USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 658 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 8 CYS SG : rot 152:sc= -4.23 USER MOD Set 1.2: A 10 HIS : no HD1:sc= -3.33! C(o=-23!,f=-26!) USER MOD Set 1.3: A 71 ASN : amide:sc= -3.73! C(o=-23!,f=-23!) USER MOD Set 1.4: A 83 CYS SG : rot -157:sc= -5.46 USER MOD Set 1.5: A 86 CYS SG : rot 133:sc= -6.04! USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= -2.9! C(o=-18!,f=-7.9!) USER MOD Set 2.2: A 77 THR OG1 : rot 92:sc= -5.03! USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 73 THR OG1 : rot 116:sc= 0.411 USER MOD Set 4.1: A 39 ASN :FLIP amide:sc= -0.17 F(o=-5.2!,f=-2.1) USER MOD Set 4.2: A 56 SER OG : rot -150:sc= -1.96! USER MOD Set 5.1: A 43 CYS SG : rot 131:sc= -2.11 USER MOD Set 5.2: A 45 GLN : amide:sc= -2.87 K(o=-13,f=-14) USER MOD Set 5.3: A 48 CYS SG : rot -150:sc= 0.0995 USER MOD Set 5.4: A 64 HIS : no HE2:sc= -3.99 K(o=-13,f=-13) USER MOD Set 5.5: A 70 HIS :FLIP no HE2:sc= -3.63 F(o=-13,f=-13) USER MOD Set 6.1: A 30 CYS SG : rot -152:sc= -1.46! USER MOD Set 6.2: A 33 CYS SG : rot -149:sc= 0.0735 USER MOD Set 6.3: A 53 CYS SG : rot -116:sc= 1.45 USER MOD Set 6.4: A 60 HIS :FLIP no HD1:sc= -1.81 F(o=-4!,f=-1.7) USER MOD Set 7.1: A 31 GLN : amide:sc= -5.53! C(o=-5.4!,f=-7.7!) USER MOD Set 7.2: A 32 SER OG : rot 113:sc= 0.127 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= -3.49! (180deg=-3.56!) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= 0.918 (180deg=0.131) USER MOD Single : A 26 SER OG : rot -50:sc= -0.728 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 36 THR OG1 : rot 74:sc= -0.7! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -62:sc= -0.154! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= -0.0111 (180deg=-1.01) USER MOD Single : A 69 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.00244) USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.36! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -1.16 (180deg=-3.45!) USER MOD Single : A 94 GLN : amide:sc= -0.652 K(o=-0.65,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.617 7.039 4.355 1.00 0.00 N ATOM 73 CA ASP A 6 11.191 6.803 3.994 1.00 0.00 C ATOM 74 C ASP A 6 11.084 5.542 3.131 1.00 0.00 C ATOM 75 O ASP A 6 10.081 4.856 3.139 1.00 0.00 O ATOM 76 CB ASP A 6 10.666 8.015 3.212 1.00 0.00 C ATOM 77 CG ASP A 6 9.247 8.353 3.674 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.518 7.433 4.005 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.915 9.527 3.687 1.00 0.00 O ATOM 0 HA ASP A 6 10.597 6.667 4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.322 8.871 3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.669 7.799 2.144 1.00 0.00 H new ATOM 84 N LEU A 7 12.107 5.235 2.382 1.00 0.00 N ATOM 85 CA LEU A 7 12.059 4.024 1.517 1.00 0.00 C ATOM 86 C LEU A 7 12.118 2.765 2.394 1.00 0.00 C ATOM 87 O LEU A 7 12.597 2.796 3.509 1.00 0.00 O ATOM 88 CB LEU A 7 13.232 4.075 0.506 1.00 0.00 C ATOM 89 CG LEU A 7 14.450 3.233 0.954 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.841 3.550 2.408 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.151 1.728 0.798 1.00 0.00 C ATOM 0 H LEU A 7 12.974 5.771 2.332 1.00 0.00 H new ATOM 0 HA LEU A 7 11.126 3.994 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.885 3.716 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.543 5.111 0.370 1.00 0.00 H new ATOM 0 HG LEU A 7 15.292 3.494 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.700 2.943 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.098 4.606 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.002 3.326 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.018 1.150 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.291 1.462 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.932 1.507 -0.247 1.00 0.00 H new ATOM 103 N CYS A 8 11.628 1.656 1.898 1.00 0.00 N ATOM 104 CA CYS A 8 11.652 0.386 2.691 1.00 0.00 C ATOM 105 C CYS A 8 12.360 -0.691 1.858 1.00 0.00 C ATOM 106 O CYS A 8 12.460 -0.586 0.655 1.00 0.00 O ATOM 107 CB CYS A 8 10.212 -0.056 3.037 1.00 0.00 C ATOM 108 SG CYS A 8 9.876 -1.714 2.360 1.00 0.00 S ATOM 0 H CYS A 8 11.209 1.575 0.971 1.00 0.00 H new ATOM 0 HA CYS A 8 12.189 0.540 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.077 -0.064 4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.498 0.661 2.632 1.00 0.00 H new ATOM 0 HG CYS A 8 8.991 -2.314 3.100 1.00 0.00 H new ATOM 113 N PRO A 9 12.853 -1.716 2.494 1.00 0.00 N ATOM 114 CA PRO A 9 13.573 -2.832 1.803 1.00 0.00 C ATOM 115 C PRO A 9 12.730 -3.421 0.671 1.00 0.00 C ATOM 116 O PRO A 9 13.143 -3.486 -0.469 1.00 0.00 O ATOM 117 CB PRO A 9 13.777 -3.874 2.916 1.00 0.00 C ATOM 118 CG PRO A 9 12.829 -3.472 3.997 1.00 0.00 C ATOM 119 CD PRO A 9 12.776 -1.954 3.936 1.00 0.00 C ATOM 0 HA PRO A 9 14.505 -2.504 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.564 -4.881 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.807 -3.874 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.842 -3.907 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.175 -3.815 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.857 -1.558 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.605 -1.493 4.473 1.00 0.00 H new ATOM 127 N HIS A 10 11.546 -3.848 0.996 1.00 0.00 N ATOM 128 CA HIS A 10 10.643 -4.438 -0.036 1.00 0.00 C ATOM 129 C HIS A 10 10.018 -3.311 -0.857 1.00 0.00 C ATOM 130 O HIS A 10 9.230 -3.541 -1.752 1.00 0.00 O ATOM 131 CB HIS A 10 9.540 -5.258 0.653 1.00 0.00 C ATOM 132 CG HIS A 10 10.094 -5.885 1.902 1.00 0.00 C ATOM 133 ND1 HIS A 10 10.130 -5.217 3.125 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.644 -7.122 2.130 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.689 -6.061 4.018 1.00 0.00 C ATOM 136 NE2 HIS A 10 11.016 -7.226 3.461 1.00 0.00 N ATOM 0 H HIS A 10 11.158 -3.815 1.939 1.00 0.00 H new ATOM 0 HA HIS A 10 11.213 -5.093 -0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.694 -4.616 0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.169 -6.030 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.768 -7.895 1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.851 -5.821 5.058 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.450 -8.028 3.919 1.00 0.00 H new ATOM 144 N LEU A 11 10.367 -2.094 -0.554 1.00 0.00 N ATOM 145 CA LEU A 11 9.801 -0.939 -1.305 1.00 0.00 C ATOM 146 C LEU A 11 10.378 -0.910 -2.720 1.00 0.00 C ATOM 147 O LEU A 11 9.729 -0.494 -3.658 1.00 0.00 O ATOM 148 CB LEU A 11 10.163 0.351 -0.565 1.00 0.00 C ATOM 149 CG LEU A 11 9.295 1.521 -1.062 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.778 2.333 0.132 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.128 2.429 -1.974 1.00 0.00 C ATOM 0 H LEU A 11 11.024 -1.847 0.186 1.00 0.00 H new ATOM 0 HA LEU A 11 8.717 -1.033 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.020 0.214 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.217 0.582 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 11 8.447 1.123 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.165 3.159 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.179 1.690 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.623 2.728 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.511 3.257 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.979 2.821 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.486 1.856 -2.829 1.00 0.00 H new ATOM 163 N ASP A 12 11.593 -1.351 -2.882 1.00 0.00 N ATOM 164 CA ASP A 12 12.213 -1.353 -4.237 1.00 0.00 C ATOM 165 C ASP A 12 11.781 -2.611 -4.995 1.00 0.00 C ATOM 166 O ASP A 12 11.858 -2.675 -6.205 1.00 0.00 O ATOM 167 CB ASP A 12 13.735 -1.352 -4.093 1.00 0.00 C ATOM 168 CG ASP A 12 14.379 -1.222 -5.473 1.00 0.00 C ATOM 169 OD1 ASP A 12 15.065 -2.148 -5.874 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.176 -0.199 -6.106 1.00 0.00 O ATOM 0 H ASP A 12 12.185 -1.711 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 12 11.892 -0.468 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.050 -0.527 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.066 -2.272 -3.611 1.00 0.00 H new ATOM 175 N SER A 13 11.340 -3.617 -4.290 1.00 0.00 N ATOM 176 CA SER A 13 10.916 -4.874 -4.969 1.00 0.00 C ATOM 177 C SER A 13 9.497 -4.722 -5.525 1.00 0.00 C ATOM 178 O SER A 13 9.104 -5.418 -6.440 1.00 0.00 O ATOM 179 CB SER A 13 10.944 -6.026 -3.964 1.00 0.00 C ATOM 180 OG SER A 13 10.824 -7.260 -4.660 1.00 0.00 O ATOM 0 H SER A 13 11.255 -3.623 -3.274 1.00 0.00 H new ATOM 0 HA SER A 13 11.600 -5.082 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.874 -6.005 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.130 -5.919 -3.248 1.00 0.00 H new ATOM 0 HG SER A 13 10.843 -8.001 -4.018 1.00 0.00 H new ATOM 186 N ILE A 14 8.721 -3.825 -4.981 1.00 0.00 N ATOM 187 CA ILE A 14 7.327 -3.644 -5.481 1.00 0.00 C ATOM 188 C ILE A 14 7.330 -2.754 -6.727 1.00 0.00 C ATOM 189 O ILE A 14 6.306 -2.233 -7.125 1.00 0.00 O ATOM 190 CB ILE A 14 6.489 -2.980 -4.398 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.232 -1.749 -3.880 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.265 -3.965 -3.246 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.259 -0.835 -3.133 1.00 0.00 C ATOM 0 H ILE A 14 8.991 -3.210 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 14 6.908 -4.618 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 14 5.524 -2.683 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.042 -2.054 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.686 -1.210 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.665 -3.488 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.743 -4.847 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.227 -4.262 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.793 0.041 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.465 -0.519 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.825 -1.375 -2.291 1.00 0.00 H new ATOM 205 N GLY A 15 8.466 -2.578 -7.346 1.00 0.00 N ATOM 206 CA GLY A 15 8.536 -1.722 -8.572 1.00 0.00 C ATOM 207 C GLY A 15 7.628 -0.497 -8.415 1.00 0.00 C ATOM 208 O GLY A 15 7.541 0.091 -7.356 1.00 0.00 O ATOM 0 H GLY A 15 9.353 -2.990 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.564 -1.402 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.232 -2.299 -9.445 1.00 0.00 H new ATOM 212 N GLU A 16 6.951 -0.109 -9.466 1.00 0.00 N ATOM 213 CA GLU A 16 6.044 1.076 -9.387 1.00 0.00 C ATOM 214 C GLU A 16 4.766 0.792 -10.181 1.00 0.00 C ATOM 215 O GLU A 16 4.717 0.972 -11.381 1.00 0.00 O ATOM 216 CB GLU A 16 6.754 2.303 -9.977 1.00 0.00 C ATOM 217 CG GLU A 16 5.774 3.480 -10.093 1.00 0.00 C ATOM 218 CD GLU A 16 5.026 3.665 -8.771 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.664 3.586 -7.735 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.826 3.885 -8.818 1.00 0.00 O ATOM 0 H GLU A 16 6.988 -0.564 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 16 5.788 1.271 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.597 2.583 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.159 2.060 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.315 4.392 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.065 3.296 -10.900 1.00 0.00 H new ATOM 227 N VAL A 17 3.731 0.353 -9.520 1.00 0.00 N ATOM 228 CA VAL A 17 2.457 0.059 -10.235 1.00 0.00 C ATOM 229 C VAL A 17 1.913 1.362 -10.833 1.00 0.00 C ATOM 230 O VAL A 17 2.508 2.411 -10.688 1.00 0.00 O ATOM 231 CB VAL A 17 1.449 -0.532 -9.240 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.925 0.571 -8.318 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.271 -1.169 -9.993 1.00 0.00 C ATOM 0 H VAL A 17 3.712 0.185 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 17 2.627 -0.660 -11.037 1.00 0.00 H new ATOM 0 HB VAL A 17 1.950 -1.297 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.210 0.147 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.757 1.012 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.434 1.341 -8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.437 -1.585 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.227 -0.411 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.640 -1.964 -10.641 1.00 0.00 H new ATOM 243 N THR A 18 0.797 1.311 -11.507 1.00 0.00 N ATOM 244 CA THR A 18 0.244 2.556 -12.108 1.00 0.00 C ATOM 245 C THR A 18 -0.176 3.512 -10.994 1.00 0.00 C ATOM 246 O THR A 18 -0.887 3.149 -10.082 1.00 0.00 O ATOM 247 CB THR A 18 -0.972 2.202 -12.981 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.297 0.831 -12.799 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.646 2.454 -14.456 1.00 0.00 C ATOM 0 H THR A 18 0.248 0.467 -11.667 1.00 0.00 H new ATOM 0 HA THR A 18 1.002 3.037 -12.726 1.00 0.00 H new ATOM 0 HB THR A 18 -1.818 2.825 -12.689 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.073 0.602 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.512 2.201 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.395 3.505 -14.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.201 1.835 -14.752 1.00 0.00 H new ATOM 257 N LYS A 19 0.238 4.742 -11.080 1.00 0.00 N ATOM 258 CA LYS A 19 -0.159 5.733 -10.046 1.00 0.00 C ATOM 259 C LYS A 19 -1.680 5.751 -9.993 1.00 0.00 C ATOM 260 O LYS A 19 -2.286 5.476 -8.979 1.00 0.00 O ATOM 261 CB LYS A 19 0.362 7.116 -10.444 1.00 0.00 C ATOM 262 CG LYS A 19 0.361 7.244 -11.980 1.00 0.00 C ATOM 263 CD LYS A 19 1.798 7.401 -12.497 1.00 0.00 C ATOM 264 CE LYS A 19 2.548 6.071 -12.350 1.00 0.00 C ATOM 265 NZ LYS A 19 2.035 5.100 -13.359 1.00 0.00 N ATOM 0 H LYS A 19 0.835 5.105 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 19 0.255 5.470 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.263 7.892 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.371 7.261 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.100 6.363 -12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.238 8.104 -12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.787 7.710 -13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.312 8.183 -11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.618 6.227 -12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.412 5.673 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.493 4.177 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.006 4.996 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.247 5.449 -14.316 1.00 0.00 H new ATOM 279 N GLU A 20 -2.302 6.047 -11.102 1.00 0.00 N ATOM 280 CA GLU A 20 -3.781 6.047 -11.150 1.00 0.00 C ATOM 281 C GLU A 20 -4.272 4.814 -10.402 1.00 0.00 C ATOM 282 O GLU A 20 -5.272 4.838 -9.722 1.00 0.00 O ATOM 283 CB GLU A 20 -4.234 5.999 -12.606 1.00 0.00 C ATOM 284 CG GLU A 20 -5.701 5.564 -12.693 1.00 0.00 C ATOM 285 CD GLU A 20 -6.070 5.305 -14.155 1.00 0.00 C ATOM 286 OE1 GLU A 20 -7.121 5.763 -14.569 1.00 0.00 O ATOM 287 OE2 GLU A 20 -5.294 4.654 -14.835 1.00 0.00 O ATOM 0 H GLU A 20 -1.841 6.289 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.188 6.947 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.111 6.980 -13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.608 5.304 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.860 4.662 -12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.346 6.337 -12.275 1.00 0.00 H new ATOM 294 N ASP A 21 -3.552 3.736 -10.510 1.00 0.00 N ATOM 295 CA ASP A 21 -3.966 2.504 -9.784 1.00 0.00 C ATOM 296 C ASP A 21 -4.179 2.871 -8.318 1.00 0.00 C ATOM 297 O ASP A 21 -5.130 2.456 -7.692 1.00 0.00 O ATOM 298 CB ASP A 21 -2.880 1.427 -9.909 1.00 0.00 C ATOM 299 CG ASP A 21 -3.512 0.041 -9.747 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.548 -0.190 -10.348 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.947 -0.764 -9.025 1.00 0.00 O ATOM 0 H ASP A 21 -2.700 3.653 -11.065 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.887 2.106 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.388 1.503 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.113 1.579 -9.150 1.00 0.00 H new ATOM 306 N LEU A 22 -3.312 3.680 -7.778 1.00 0.00 N ATOM 307 CA LEU A 22 -3.479 4.105 -6.363 1.00 0.00 C ATOM 308 C LEU A 22 -4.643 5.085 -6.300 1.00 0.00 C ATOM 309 O LEU A 22 -5.249 5.298 -5.270 1.00 0.00 O ATOM 310 CB LEU A 22 -2.200 4.787 -5.854 1.00 0.00 C ATOM 311 CG LEU A 22 -0.972 4.158 -6.515 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.296 4.799 -5.948 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.947 2.657 -6.236 1.00 0.00 C ATOM 0 H LEU A 22 -2.496 4.064 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.675 3.236 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.235 5.854 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.131 4.687 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.019 4.325 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.172 4.351 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.284 5.870 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.338 4.633 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.071 2.214 -6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.904 2.488 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.849 2.197 -6.640 1.00 0.00 H new ATOM 325 N LEU A 23 -4.951 5.679 -7.413 1.00 0.00 N ATOM 326 CA LEU A 23 -6.068 6.651 -7.468 1.00 0.00 C ATOM 327 C LEU A 23 -7.394 5.888 -7.531 1.00 0.00 C ATOM 328 O LEU A 23 -8.264 6.095 -6.709 1.00 0.00 O ATOM 329 CB LEU A 23 -5.865 7.533 -8.706 1.00 0.00 C ATOM 330 CG LEU A 23 -4.455 8.153 -8.659 1.00 0.00 C ATOM 331 CD1 LEU A 23 -4.326 9.229 -9.748 1.00 0.00 C ATOM 332 CD2 LEU A 23 -4.209 8.797 -7.287 1.00 0.00 C ATOM 0 H LEU A 23 -4.469 5.529 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.090 7.284 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.985 6.941 -9.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.620 8.318 -8.736 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.720 7.366 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.328 9.665 -9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.490 8.778 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.069 10.008 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.210 9.232 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.949 9.578 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.293 8.038 -6.509 1.00 0.00 H new ATOM 344 N LEU A 24 -7.562 4.982 -8.462 1.00 0.00 N ATOM 345 CA LEU A 24 -8.839 4.221 -8.483 1.00 0.00 C ATOM 346 C LEU A 24 -8.932 3.448 -7.184 1.00 0.00 C ATOM 347 O LEU A 24 -9.957 3.431 -6.554 1.00 0.00 O ATOM 348 CB LEU A 24 -8.913 3.255 -9.671 1.00 0.00 C ATOM 349 CG LEU A 24 -7.812 2.185 -9.595 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.371 0.897 -8.974 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.321 1.868 -11.011 1.00 0.00 C ATOM 0 H LEU A 24 -6.887 4.744 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.670 4.918 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.890 2.773 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.816 3.813 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.993 2.562 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.583 0.145 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.736 1.107 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.191 0.523 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.540 1.109 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.152 1.496 -11.610 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.921 2.773 -11.469 1.00 0.00 H new ATOM 363 N LYS A 25 -7.862 2.827 -6.756 1.00 0.00 N ATOM 364 CA LYS A 25 -7.918 2.087 -5.469 1.00 0.00 C ATOM 365 C LYS A 25 -8.549 3.019 -4.434 1.00 0.00 C ATOM 366 O LYS A 25 -9.415 2.635 -3.672 1.00 0.00 O ATOM 367 CB LYS A 25 -6.503 1.688 -5.049 1.00 0.00 C ATOM 368 CG LYS A 25 -6.043 0.492 -5.894 1.00 0.00 C ATOM 369 CD LYS A 25 -4.530 0.307 -5.754 1.00 0.00 C ATOM 370 CE LYS A 25 -4.145 -1.109 -6.190 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.661 -1.213 -6.287 1.00 0.00 N ATOM 0 H LYS A 25 -6.964 2.803 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.510 1.176 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.821 2.527 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.485 1.429 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.560 -0.412 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.303 0.653 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.005 1.042 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.227 0.476 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.525 -1.837 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.600 -1.341 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.357 -2.153 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.367 -1.076 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.222 -0.483 -5.691 1.00 0.00 H new ATOM 385 N SER A 26 -8.140 4.259 -4.439 1.00 0.00 N ATOM 386 CA SER A 26 -8.722 5.257 -3.507 1.00 0.00 C ATOM 387 C SER A 26 -10.171 5.524 -3.934 1.00 0.00 C ATOM 388 O SER A 26 -10.796 6.466 -3.490 1.00 0.00 O ATOM 389 CB SER A 26 -7.920 6.561 -3.606 1.00 0.00 C ATOM 390 OG SER A 26 -8.111 7.324 -2.422 1.00 0.00 O ATOM 0 H SER A 26 -7.417 4.624 -5.059 1.00 0.00 H new ATOM 0 HA SER A 26 -8.691 4.886 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.861 6.340 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.241 7.133 -4.476 1.00 0.00 H new ATOM 0 HG SER A 26 -9.069 7.395 -2.229 1.00 0.00 H new ATOM 396 N LYS A 27 -10.693 4.720 -4.828 1.00 0.00 N ATOM 397 CA LYS A 27 -12.080 4.952 -5.321 1.00 0.00 C ATOM 398 C LYS A 27 -13.033 5.183 -4.147 1.00 0.00 C ATOM 399 O LYS A 27 -13.778 6.144 -4.142 1.00 0.00 O ATOM 400 CB LYS A 27 -12.563 3.764 -6.170 1.00 0.00 C ATOM 401 CG LYS A 27 -12.048 2.429 -5.604 1.00 0.00 C ATOM 402 CD LYS A 27 -13.123 1.353 -5.764 1.00 0.00 C ATOM 403 CE LYS A 27 -13.361 1.104 -7.255 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.387 0.037 -7.425 1.00 0.00 N ATOM 0 H LYS A 27 -10.217 3.915 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.073 5.844 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.653 3.754 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.218 3.884 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.139 2.129 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.789 2.545 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.809 0.431 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.048 1.671 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.693 2.022 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.430 0.808 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.548 -0.131 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.053 -0.840 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.277 0.337 -6.978 1.00 0.00 H new ATOM 418 N GLY A 28 -13.025 4.345 -3.141 1.00 0.00 N ATOM 419 CA GLY A 28 -13.940 4.591 -1.998 1.00 0.00 C ATOM 420 C GLY A 28 -14.437 3.282 -1.402 1.00 0.00 C ATOM 421 O GLY A 28 -15.294 3.285 -0.547 1.00 0.00 O ATOM 0 H GLY A 28 -12.434 3.517 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.423 5.170 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.789 5.188 -2.330 1.00 0.00 H new ATOM 425 N THR A 29 -13.938 2.160 -1.837 1.00 0.00 N ATOM 426 CA THR A 29 -14.443 0.893 -1.246 1.00 0.00 C ATOM 427 C THR A 29 -13.460 -0.268 -1.470 1.00 0.00 C ATOM 428 O THR A 29 -12.771 -0.337 -2.470 1.00 0.00 O ATOM 429 CB THR A 29 -15.786 0.563 -1.898 1.00 0.00 C ATOM 430 OG1 THR A 29 -16.002 1.440 -2.994 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.926 0.725 -0.886 1.00 0.00 C ATOM 0 H THR A 29 -13.222 2.065 -2.557 1.00 0.00 H new ATOM 0 HA THR A 29 -14.555 1.025 -0.170 1.00 0.00 H new ATOM 0 HB THR A 29 -15.767 -0.470 -2.244 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.861 1.231 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.875 0.486 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.765 0.050 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.950 1.754 -0.526 1.00 0.00 H new ATOM 439 N CYS A 30 -13.436 -1.203 -0.554 1.00 0.00 N ATOM 440 CA CYS A 30 -12.555 -2.403 -0.703 1.00 0.00 C ATOM 441 C CYS A 30 -13.020 -3.162 -1.947 1.00 0.00 C ATOM 442 O CYS A 30 -14.198 -3.215 -2.236 1.00 0.00 O ATOM 443 CB CYS A 30 -12.707 -3.310 0.528 1.00 0.00 C ATOM 444 SG CYS A 30 -11.615 -4.751 0.366 1.00 0.00 S ATOM 0 H CYS A 30 -13.994 -1.187 0.299 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.511 -2.104 -0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.461 -2.755 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.743 -3.636 0.626 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.124 -5.756 1.015 1.00 0.00 H new ATOM 449 N GLN A 31 -12.125 -3.740 -2.697 1.00 0.00 N ATOM 450 CA GLN A 31 -12.571 -4.468 -3.918 1.00 0.00 C ATOM 451 C GLN A 31 -13.115 -5.847 -3.540 1.00 0.00 C ATOM 452 O GLN A 31 -13.783 -6.491 -4.326 1.00 0.00 O ATOM 453 CB GLN A 31 -11.410 -4.624 -4.903 1.00 0.00 C ATOM 454 CG GLN A 31 -10.184 -5.220 -4.205 1.00 0.00 C ATOM 455 CD GLN A 31 -10.414 -6.706 -3.925 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.950 -7.224 -2.929 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.112 -7.419 -4.766 1.00 0.00 N ATOM 0 H GLN A 31 -11.120 -3.741 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.362 -3.888 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.712 -5.267 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.156 -3.654 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.301 -5.092 -4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.993 -4.691 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.502 -6.984 -5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.268 -8.411 -4.587 1.00 0.00 H new ATOM 466 N SER A 32 -12.838 -6.311 -2.350 1.00 0.00 N ATOM 467 CA SER A 32 -13.346 -7.653 -1.933 1.00 0.00 C ATOM 468 C SER A 32 -14.368 -7.498 -0.804 1.00 0.00 C ATOM 469 O SER A 32 -15.059 -8.434 -0.454 1.00 0.00 O ATOM 470 CB SER A 32 -12.180 -8.514 -1.450 1.00 0.00 C ATOM 471 OG SER A 32 -11.437 -8.970 -2.573 1.00 0.00 O ATOM 0 H SER A 32 -12.283 -5.820 -1.649 1.00 0.00 H new ATOM 0 HA SER A 32 -13.826 -8.133 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.538 -7.937 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.553 -9.363 -0.877 1.00 0.00 H new ATOM 0 HG SER A 32 -10.551 -8.552 -2.570 1.00 0.00 H new ATOM 477 N CYS A 33 -14.471 -6.327 -0.225 1.00 0.00 N ATOM 478 CA CYS A 33 -15.453 -6.126 0.886 1.00 0.00 C ATOM 479 C CYS A 33 -16.357 -4.930 0.581 1.00 0.00 C ATOM 480 O CYS A 33 -17.436 -4.812 1.127 1.00 0.00 O ATOM 481 CB CYS A 33 -14.708 -5.870 2.199 1.00 0.00 C ATOM 482 SG CYS A 33 -13.497 -7.181 2.474 1.00 0.00 S ATOM 0 H CYS A 33 -13.920 -5.505 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.062 -7.025 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.209 -4.902 2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.414 -5.834 3.028 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.352 -7.377 3.751 1.00 0.00 H new ATOM 487 N GLY A 34 -15.935 -4.033 -0.269 1.00 0.00 N ATOM 488 CA GLY A 34 -16.797 -2.853 -0.565 1.00 0.00 C ATOM 489 C GLY A 34 -17.211 -2.216 0.760 1.00 0.00 C ATOM 490 O GLY A 34 -18.360 -2.258 1.154 1.00 0.00 O ATOM 0 H GLY A 34 -15.044 -4.064 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.257 -2.133 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.677 -3.158 -1.131 1.00 0.00 H new ATOM 494 N VAL A 35 -16.266 -1.658 1.468 1.00 0.00 N ATOM 495 CA VAL A 35 -16.570 -1.051 2.797 1.00 0.00 C ATOM 496 C VAL A 35 -16.611 0.483 2.724 1.00 0.00 C ATOM 497 O VAL A 35 -17.544 1.092 3.203 1.00 0.00 O ATOM 498 CB VAL A 35 -15.491 -1.492 3.791 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.436 -3.026 3.826 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.135 -0.938 3.348 1.00 0.00 C ATOM 0 H VAL A 35 -15.289 -1.596 1.181 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.554 -1.390 3.120 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.727 -1.113 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.670 -3.347 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.404 -3.418 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.195 -3.404 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.366 -1.251 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.893 -1.319 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.179 0.151 3.318 1.00 0.00 H new ATOM 510 N THR A 36 -15.618 1.119 2.148 1.00 0.00 N ATOM 511 CA THR A 36 -15.630 2.612 2.082 1.00 0.00 C ATOM 512 C THR A 36 -14.245 3.109 1.674 1.00 0.00 C ATOM 513 O THR A 36 -13.358 2.332 1.394 1.00 0.00 O ATOM 514 CB THR A 36 -15.984 3.207 3.452 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.686 4.596 3.445 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.165 2.520 4.547 1.00 0.00 C ATOM 0 H THR A 36 -14.806 0.671 1.724 1.00 0.00 H new ATOM 0 HA THR A 36 -16.377 2.924 1.352 1.00 0.00 H new ATOM 0 HB THR A 36 -17.045 3.053 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.357 5.072 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.422 2.948 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.386 1.453 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.103 2.669 4.355 1.00 0.00 H new ATOM 524 N GLY A 37 -14.060 4.402 1.632 1.00 0.00 N ATOM 525 CA GLY A 37 -12.738 4.969 1.233 1.00 0.00 C ATOM 526 C GLY A 37 -11.869 5.213 2.463 1.00 0.00 C ATOM 527 O GLY A 37 -10.842 4.591 2.640 1.00 0.00 O ATOM 0 H GLY A 37 -14.773 5.095 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.232 4.284 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.885 5.904 0.693 1.00 0.00 H new ATOM 531 N PRO A 38 -12.259 6.127 3.304 1.00 0.00 N ATOM 532 CA PRO A 38 -11.482 6.450 4.518 1.00 0.00 C ATOM 533 C PRO A 38 -11.007 5.195 5.243 1.00 0.00 C ATOM 534 O PRO A 38 -11.769 4.294 5.533 1.00 0.00 O ATOM 535 CB PRO A 38 -12.437 7.259 5.400 1.00 0.00 C ATOM 536 CG PRO A 38 -13.733 7.377 4.646 1.00 0.00 C ATOM 537 CD PRO A 38 -13.464 6.952 3.199 1.00 0.00 C ATOM 0 HA PRO A 38 -10.577 7.004 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.591 6.763 6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.024 8.245 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.497 6.743 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.106 8.401 4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.300 6.390 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.305 7.814 2.550 1.00 0.00 H new ATOM 545 N ASN A 39 -9.748 5.146 5.535 1.00 0.00 N ATOM 546 CA ASN A 39 -9.172 3.972 6.247 1.00 0.00 C ATOM 547 C ASN A 39 -9.027 2.787 5.289 1.00 0.00 C ATOM 548 O ASN A 39 -8.986 1.649 5.711 1.00 0.00 O ATOM 549 CB ASN A 39 -10.080 3.574 7.419 1.00 0.00 C ATOM 550 CG ASN A 39 -9.228 3.245 8.648 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.152 2.010 9.063 1.00 0.00 O flip ATOM 552 ND2 ASN A 39 -8.625 4.121 9.236 1.00 0.00 N flip ATOM 0 H ASN A 39 -9.077 5.880 5.309 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.187 4.245 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.768 4.387 7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.686 2.711 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.684 5.086 8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.060 3.891 10.053 1.00 0.00 H new ATOM 559 N LEU A 40 -8.933 3.030 4.011 1.00 0.00 N ATOM 560 CA LEU A 40 -8.771 1.887 3.067 1.00 0.00 C ATOM 561 C LEU A 40 -7.302 1.463 3.070 1.00 0.00 C ATOM 562 O LEU A 40 -6.465 2.091 3.683 1.00 0.00 O ATOM 563 CB LEU A 40 -9.171 2.297 1.636 1.00 0.00 C ATOM 564 CG LEU A 40 -10.662 2.033 1.358 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.917 2.224 -0.140 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.048 0.597 1.745 1.00 0.00 C ATOM 0 H LEU A 40 -8.961 3.956 3.583 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.415 1.067 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.956 3.355 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.565 1.745 0.918 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.260 2.726 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.970 2.041 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.660 3.244 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.303 1.523 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.106 0.437 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.454 -0.109 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.858 0.443 2.807 1.00 0.00 H new ATOM 578 N TRP A 41 -6.984 0.407 2.382 1.00 0.00 N ATOM 579 CA TRP A 41 -5.567 -0.054 2.335 1.00 0.00 C ATOM 580 C TRP A 41 -5.392 -0.992 1.142 1.00 0.00 C ATOM 581 O TRP A 41 -5.714 -2.162 1.206 1.00 0.00 O ATOM 582 CB TRP A 41 -5.213 -0.782 3.641 1.00 0.00 C ATOM 583 CG TRP A 41 -4.034 -0.121 4.287 1.00 0.00 C ATOM 584 CD1 TRP A 41 -2.869 0.170 3.663 1.00 0.00 C ATOM 585 CD2 TRP A 41 -3.886 0.338 5.663 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.016 0.777 4.568 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.598 0.903 5.813 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.736 0.317 6.782 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.169 1.429 7.033 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.307 0.846 8.011 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.027 1.401 8.135 1.00 0.00 C ATOM 0 H TRP A 41 -7.643 -0.160 1.848 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.901 0.802 2.224 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.066 -0.767 4.319 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.987 -1.828 3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.642 -0.038 2.628 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.073 1.093 4.342 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.725 -0.108 6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.181 1.855 7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.968 0.825 8.865 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.704 1.807 9.082 1.00 0.00 H new ATOM 602 N ALA A 42 -4.906 -0.481 0.046 1.00 0.00 N ATOM 603 CA ALA A 42 -4.733 -1.332 -1.159 1.00 0.00 C ATOM 604 C ALA A 42 -3.319 -1.895 -1.236 1.00 0.00 C ATOM 605 O ALA A 42 -2.350 -1.240 -0.907 1.00 0.00 O ATOM 606 CB ALA A 42 -4.993 -0.488 -2.405 1.00 0.00 C ATOM 0 H ALA A 42 -4.621 0.492 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.437 -2.162 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.868 -1.105 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.010 -0.097 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.287 0.341 -2.437 1.00 0.00 H new ATOM 612 N CYS A 43 -3.200 -3.109 -1.700 1.00 0.00 N ATOM 613 CA CYS A 43 -1.859 -3.731 -1.842 1.00 0.00 C ATOM 614 C CYS A 43 -1.024 -2.864 -2.781 1.00 0.00 C ATOM 615 O CYS A 43 -1.557 -2.172 -3.625 1.00 0.00 O ATOM 616 CB CYS A 43 -2.015 -5.127 -2.437 1.00 0.00 C ATOM 617 SG CYS A 43 -0.491 -6.064 -2.185 1.00 0.00 S ATOM 0 H CYS A 43 -3.981 -3.698 -1.988 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.370 -3.807 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.853 -5.642 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.240 -5.057 -3.501 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.776 -7.229 -1.682 1.00 0.00 H new ATOM 622 N LEU A 44 0.272 -2.871 -2.636 1.00 0.00 N ATOM 623 CA LEU A 44 1.114 -2.015 -3.521 1.00 0.00 C ATOM 624 C LEU A 44 2.299 -2.808 -4.083 1.00 0.00 C ATOM 625 O LEU A 44 3.409 -2.319 -4.120 1.00 0.00 O ATOM 626 CB LEU A 44 1.631 -0.827 -2.704 1.00 0.00 C ATOM 627 CG LEU A 44 2.213 0.241 -3.644 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.106 1.199 -4.089 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.294 1.040 -2.910 1.00 0.00 C ATOM 0 H LEU A 44 0.782 -3.427 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 44 0.511 -1.667 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.820 -0.401 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.395 -1.162 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 44 2.644 -0.252 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.524 1.954 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.331 0.641 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.673 1.686 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.705 1.796 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.858 1.526 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.090 0.367 -2.591 1.00 0.00 H new ATOM 641 N GLN A 45 2.088 -4.020 -4.538 1.00 0.00 N ATOM 642 CA GLN A 45 3.228 -4.799 -5.108 1.00 0.00 C ATOM 643 C GLN A 45 3.252 -4.611 -6.631 1.00 0.00 C ATOM 644 O GLN A 45 2.224 -4.530 -7.272 1.00 0.00 O ATOM 645 CB GLN A 45 3.082 -6.288 -4.769 1.00 0.00 C ATOM 646 CG GLN A 45 2.433 -6.460 -3.388 1.00 0.00 C ATOM 647 CD GLN A 45 3.509 -6.820 -2.360 1.00 0.00 C ATOM 648 OE1 GLN A 45 4.278 -7.738 -2.564 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.598 -6.129 -1.258 1.00 0.00 N ATOM 0 H GLN A 45 1.187 -4.497 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 45 4.161 -4.437 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.475 -6.783 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.061 -6.768 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.928 -5.540 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.675 -7.242 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.953 -5.358 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.313 -6.359 -0.568 1.00 0.00 H new ATOM 658 N VAL A 46 4.422 -4.517 -7.206 1.00 0.00 N ATOM 659 CA VAL A 46 4.526 -4.308 -8.685 1.00 0.00 C ATOM 660 C VAL A 46 3.552 -5.214 -9.448 1.00 0.00 C ATOM 661 O VAL A 46 3.345 -5.035 -10.633 1.00 0.00 O ATOM 662 CB VAL A 46 5.955 -4.617 -9.150 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.390 -5.983 -8.616 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.004 -4.630 -10.682 1.00 0.00 C ATOM 0 H VAL A 46 5.314 -4.576 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 46 4.273 -3.269 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 46 6.629 -3.850 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.405 -6.197 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.360 -5.974 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.715 -6.752 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.019 -4.850 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.326 -5.395 -11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.701 -3.655 -11.064 1.00 0.00 H new ATOM 674 N ALA A 47 2.962 -6.190 -8.810 1.00 0.00 N ATOM 675 CA ALA A 47 2.028 -7.089 -9.557 1.00 0.00 C ATOM 676 C ALA A 47 0.828 -7.475 -8.690 1.00 0.00 C ATOM 677 O ALA A 47 0.452 -8.629 -8.626 1.00 0.00 O ATOM 678 CB ALA A 47 2.776 -8.357 -9.973 1.00 0.00 C ATOM 0 H ALA A 47 3.082 -6.403 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 47 1.664 -6.557 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.100 -9.016 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.617 -8.090 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.145 -8.870 -9.085 1.00 0.00 H new ATOM 684 N CYS A 48 0.212 -6.532 -8.029 1.00 0.00 N ATOM 685 CA CYS A 48 -0.968 -6.877 -7.187 1.00 0.00 C ATOM 686 C CYS A 48 -1.962 -5.712 -7.157 1.00 0.00 C ATOM 687 O CYS A 48 -1.983 -4.933 -6.224 1.00 0.00 O ATOM 688 CB CYS A 48 -0.507 -7.179 -5.765 1.00 0.00 C ATOM 689 SG CYS A 48 -1.783 -8.147 -4.928 1.00 0.00 S ATOM 0 H CYS A 48 0.472 -5.546 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.459 -7.752 -7.613 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.433 -7.730 -5.783 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.322 -6.251 -5.224 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.759 -7.887 -3.654 1.00 0.00 H new ATOM 694 N PRO A 49 -2.789 -5.600 -8.161 1.00 0.00 N ATOM 695 CA PRO A 49 -3.808 -4.523 -8.238 1.00 0.00 C ATOM 696 C PRO A 49 -5.112 -4.917 -7.533 1.00 0.00 C ATOM 697 O PRO A 49 -5.925 -5.641 -8.071 1.00 0.00 O ATOM 698 CB PRO A 49 -4.032 -4.382 -9.743 1.00 0.00 C ATOM 699 CG PRO A 49 -3.800 -5.754 -10.301 1.00 0.00 C ATOM 700 CD PRO A 49 -2.845 -6.480 -9.337 1.00 0.00 C ATOM 0 HA PRO A 49 -3.487 -3.603 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.041 -4.033 -9.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.344 -3.658 -10.178 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.741 -6.297 -10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.368 -5.695 -11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.218 -7.471 -9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.859 -6.617 -9.780 1.00 0.00 H new ATOM 708 N TYR A 50 -5.315 -4.432 -6.336 1.00 0.00 N ATOM 709 CA TYR A 50 -6.558 -4.758 -5.577 1.00 0.00 C ATOM 710 C TYR A 50 -6.621 -3.846 -4.352 1.00 0.00 C ATOM 711 O TYR A 50 -5.640 -3.677 -3.655 1.00 0.00 O ATOM 712 CB TYR A 50 -6.518 -6.219 -5.112 1.00 0.00 C ATOM 713 CG TYR A 50 -6.751 -7.142 -6.286 1.00 0.00 C ATOM 714 CD1 TYR A 50 -7.987 -7.141 -6.944 1.00 0.00 C ATOM 715 CD2 TYR A 50 -5.731 -8.001 -6.716 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.203 -7.997 -8.031 1.00 0.00 C ATOM 717 CE2 TYR A 50 -5.947 -8.856 -7.803 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.183 -8.855 -8.460 1.00 0.00 C ATOM 719 OH TYR A 50 -7.396 -9.699 -9.532 1.00 0.00 O ATOM 0 H TYR A 50 -4.665 -3.817 -5.847 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.431 -4.611 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.553 -6.437 -4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.279 -6.388 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.774 -6.480 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.778 -8.003 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.156 -7.995 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.160 -9.517 -8.135 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.587 -10.226 -9.699 1.00 0.00 H new ATOM 729 N VAL A 51 -7.751 -3.246 -4.079 1.00 0.00 N ATOM 730 CA VAL A 51 -7.832 -2.342 -2.893 1.00 0.00 C ATOM 731 C VAL A 51 -8.531 -3.052 -1.734 1.00 0.00 C ATOM 732 O VAL A 51 -9.727 -3.255 -1.735 1.00 0.00 O ATOM 733 CB VAL A 51 -8.568 -1.054 -3.268 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.769 -1.381 -4.154 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.034 -0.325 -2.001 1.00 0.00 C ATOM 0 H VAL A 51 -8.611 -3.341 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.823 -2.082 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.887 -0.404 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.289 -0.460 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.427 -1.877 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.450 -2.040 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.557 0.590 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.707 -0.970 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.169 -0.076 -1.386 1.00 0.00 H new ATOM 745 N GLY A 52 -7.773 -3.429 -0.744 1.00 0.00 N ATOM 746 CA GLY A 52 -8.351 -4.138 0.429 1.00 0.00 C ATOM 747 C GLY A 52 -8.876 -3.134 1.458 1.00 0.00 C ATOM 748 O GLY A 52 -8.915 -1.943 1.223 1.00 0.00 O ATOM 0 H GLY A 52 -6.766 -3.274 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.161 -4.791 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.593 -4.774 0.887 1.00 0.00 H new ATOM 752 N CYS A 53 -9.288 -3.622 2.599 1.00 0.00 N ATOM 753 CA CYS A 53 -9.825 -2.727 3.664 1.00 0.00 C ATOM 754 C CYS A 53 -8.758 -2.443 4.696 1.00 0.00 C ATOM 755 O CYS A 53 -7.708 -3.053 4.740 1.00 0.00 O ATOM 756 CB CYS A 53 -10.951 -3.431 4.442 1.00 0.00 C ATOM 757 SG CYS A 53 -10.860 -5.221 4.177 1.00 0.00 S ATOM 0 H CYS A 53 -9.275 -4.613 2.840 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.174 -1.820 3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.865 -3.207 5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.921 -3.055 4.115 1.00 0.00 H new ATOM 0 HG CYS A 53 -11.929 -5.623 3.556 1.00 0.00 H new ATOM 762 N GLY A 54 -9.096 -1.568 5.581 1.00 0.00 N ATOM 763 CA GLY A 54 -8.226 -1.247 6.726 1.00 0.00 C ATOM 764 C GLY A 54 -9.054 -1.661 7.930 1.00 0.00 C ATOM 765 O GLY A 54 -10.256 -1.779 7.814 1.00 0.00 O ATOM 0 H GLY A 54 -9.970 -1.043 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.284 -1.794 6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.977 -0.186 6.756 1.00 0.00 H new ATOM 769 N GLU A 55 -8.465 -1.919 9.058 1.00 0.00 N ATOM 770 CA GLU A 55 -9.290 -2.354 10.233 1.00 0.00 C ATOM 771 C GLU A 55 -10.715 -1.854 10.076 1.00 0.00 C ATOM 772 O GLU A 55 -11.666 -2.536 10.401 1.00 0.00 O ATOM 773 CB GLU A 55 -8.707 -1.779 11.512 1.00 0.00 C ATOM 774 CG GLU A 55 -8.932 -0.265 11.550 1.00 0.00 C ATOM 775 CD GLU A 55 -8.016 0.363 12.604 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.472 1.255 13.301 1.00 0.00 O ATOM 777 OE2 GLU A 55 -6.876 -0.060 12.696 1.00 0.00 O ATOM 0 H GLU A 55 -7.461 -1.852 9.226 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.285 -3.443 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.175 -2.247 12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.641 -1.999 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.727 0.168 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.974 -0.048 11.783 1.00 0.00 H new ATOM 784 N SER A 56 -10.857 -0.675 9.549 1.00 0.00 N ATOM 785 CA SER A 56 -12.211 -0.107 9.316 1.00 0.00 C ATOM 786 C SER A 56 -13.193 -1.254 9.076 1.00 0.00 C ATOM 787 O SER A 56 -14.294 -1.264 9.590 1.00 0.00 O ATOM 788 CB SER A 56 -12.158 0.785 8.078 1.00 0.00 C ATOM 789 OG SER A 56 -12.245 2.146 8.484 1.00 0.00 O ATOM 0 H SER A 56 -10.084 -0.072 9.266 1.00 0.00 H new ATOM 0 HA SER A 56 -12.533 0.476 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.231 0.614 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.978 0.540 7.402 1.00 0.00 H new ATOM 0 HG SER A 56 -12.677 2.671 7.778 1.00 0.00 H new ATOM 795 N PHE A 57 -12.784 -2.231 8.307 1.00 0.00 N ATOM 796 CA PHE A 57 -13.676 -3.398 8.039 1.00 0.00 C ATOM 797 C PHE A 57 -13.021 -4.670 8.561 1.00 0.00 C ATOM 798 O PHE A 57 -13.155 -5.033 9.713 1.00 0.00 O ATOM 799 CB PHE A 57 -13.905 -3.551 6.541 1.00 0.00 C ATOM 800 CG PHE A 57 -14.761 -4.772 6.291 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.077 -4.812 6.767 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.240 -5.865 5.587 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.872 -5.941 6.539 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.034 -6.995 5.360 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.350 -7.033 5.835 1.00 0.00 C ATOM 0 H PHE A 57 -11.871 -2.270 7.854 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.629 -3.231 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.394 -2.662 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.951 -3.649 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.479 -3.970 7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.225 -5.836 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -17.887 -5.970 6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.631 -7.838 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.963 -7.905 5.659 1.00 0.00 H new ATOM 815 N ALA A 58 -12.305 -5.340 7.708 1.00 0.00 N ATOM 816 CA ALA A 58 -11.611 -6.599 8.113 1.00 0.00 C ATOM 817 C ALA A 58 -10.113 -6.409 7.902 1.00 0.00 C ATOM 818 O ALA A 58 -9.311 -7.272 8.198 1.00 0.00 O ATOM 819 CB ALA A 58 -12.108 -7.759 7.248 1.00 0.00 C ATOM 0 H ALA A 58 -12.167 -5.069 6.734 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.818 -6.824 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.601 -8.677 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.183 -7.879 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.895 -7.549 6.200 1.00 0.00 H new ATOM 825 N ASP A 59 -9.740 -5.273 7.388 1.00 0.00 N ATOM 826 CA ASP A 59 -8.304 -4.986 7.145 1.00 0.00 C ATOM 827 C ASP A 59 -7.682 -6.082 6.281 1.00 0.00 C ATOM 828 O ASP A 59 -6.770 -6.764 6.704 1.00 0.00 O ATOM 829 CB ASP A 59 -7.555 -4.901 8.477 1.00 0.00 C ATOM 830 CG ASP A 59 -6.080 -4.601 8.216 1.00 0.00 C ATOM 831 OD1 ASP A 59 -5.248 -5.358 8.683 1.00 0.00 O ATOM 832 OD2 ASP A 59 -5.809 -3.610 7.559 1.00 0.00 O ATOM 0 H ASP A 59 -10.378 -4.523 7.123 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.225 -4.033 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.990 -4.121 9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.655 -5.839 9.023 1.00 0.00 H new ATOM 837 N HIS A 60 -8.139 -6.244 5.062 1.00 0.00 N ATOM 838 CA HIS A 60 -7.525 -7.282 4.183 1.00 0.00 C ATOM 839 C HIS A 60 -6.014 -7.126 4.305 1.00 0.00 C ATOM 840 O HIS A 60 -5.252 -8.036 4.078 1.00 0.00 O ATOM 841 CB HIS A 60 -7.940 -7.043 2.720 1.00 0.00 C ATOM 842 CG HIS A 60 -8.930 -8.084 2.269 1.00 0.00 C ATOM 843 ND1 HIS A 60 -8.806 -9.440 2.096 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.243 -7.771 1.912 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.009 -9.963 1.645 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -10.839 -8.924 1.551 1.00 0.00 N flip ATOM 0 H HIS A 60 -8.900 -5.709 4.644 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.850 -8.280 4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.378 -6.050 2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.059 -7.070 2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.695 -6.790 1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.228 -10.996 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.809 -8.994 1.243 1.00 0.00 H new ATOM 854 N SER A 61 -5.592 -5.953 4.672 1.00 0.00 N ATOM 855 CA SER A 61 -4.140 -5.676 4.826 1.00 0.00 C ATOM 856 C SER A 61 -3.448 -6.830 5.554 1.00 0.00 C ATOM 857 O SER A 61 -2.293 -7.118 5.315 1.00 0.00 O ATOM 858 CB SER A 61 -3.975 -4.390 5.640 1.00 0.00 C ATOM 859 OG SER A 61 -2.769 -3.741 5.259 1.00 0.00 O ATOM 0 H SER A 61 -6.201 -5.161 4.875 1.00 0.00 H new ATOM 0 HA SER A 61 -3.686 -5.566 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.825 -3.729 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.956 -4.621 6.705 1.00 0.00 H new ATOM 0 HG SER A 61 -2.663 -2.917 5.778 1.00 0.00 H new ATOM 865 N THR A 62 -4.133 -7.485 6.450 1.00 0.00 N ATOM 866 CA THR A 62 -3.493 -8.600 7.195 1.00 0.00 C ATOM 867 C THR A 62 -3.675 -9.914 6.448 1.00 0.00 C ATOM 868 O THR A 62 -2.726 -10.522 6.008 1.00 0.00 O ATOM 869 CB THR A 62 -4.143 -8.744 8.567 1.00 0.00 C ATOM 870 OG1 THR A 62 -4.958 -7.612 8.829 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.068 -8.871 9.650 1.00 0.00 C ATOM 0 H THR A 62 -5.105 -7.296 6.696 1.00 0.00 H new ATOM 0 HA THR A 62 -2.431 -8.375 7.295 1.00 0.00 H new ATOM 0 HB THR A 62 -4.759 -9.643 8.576 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.401 -6.806 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.544 -8.973 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.454 -9.750 9.452 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.439 -7.981 9.645 1.00 0.00 H new ATOM 879 N ILE A 63 -4.893 -10.375 6.333 1.00 0.00 N ATOM 880 CA ILE A 63 -5.118 -11.673 5.650 1.00 0.00 C ATOM 881 C ILE A 63 -4.546 -11.606 4.236 1.00 0.00 C ATOM 882 O ILE A 63 -4.030 -12.574 3.714 1.00 0.00 O ATOM 883 CB ILE A 63 -6.605 -11.999 5.587 1.00 0.00 C ATOM 884 CG1 ILE A 63 -7.363 -10.770 5.110 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.105 -12.407 6.975 1.00 0.00 C ATOM 886 CD1 ILE A 63 -8.746 -11.181 4.606 1.00 0.00 C ATOM 0 H ILE A 63 -5.732 -9.910 6.681 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.617 -12.459 6.215 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.770 -12.824 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.461 -10.052 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.808 -10.275 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.169 -12.639 6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.557 -13.286 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.945 -11.587 7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.286 -10.298 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.638 -11.882 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.301 -11.656 5.414 1.00 0.00 H new ATOM 898 N HIS A 64 -4.629 -10.465 3.619 1.00 0.00 N ATOM 899 CA HIS A 64 -4.086 -10.320 2.239 1.00 0.00 C ATOM 900 C HIS A 64 -2.560 -10.360 2.292 1.00 0.00 C ATOM 901 O HIS A 64 -1.920 -11.016 1.494 1.00 0.00 O ATOM 902 CB HIS A 64 -4.531 -8.990 1.631 1.00 0.00 C ATOM 903 CG HIS A 64 -3.965 -8.882 0.247 1.00 0.00 C ATOM 904 ND1 HIS A 64 -4.742 -9.046 -0.889 1.00 0.00 N ATOM 905 CD2 HIS A 64 -2.690 -8.652 -0.199 1.00 0.00 C ATOM 906 CE1 HIS A 64 -3.931 -8.917 -1.954 1.00 0.00 C ATOM 907 NE2 HIS A 64 -2.670 -8.676 -1.586 1.00 0.00 N ATOM 0 H HIS A 64 -5.050 -9.622 4.010 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.462 -11.137 1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.619 -8.934 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.186 -8.159 2.246 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.745 -9.231 -0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.831 -8.478 0.433 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.259 -8.998 -2.980 1.00 0.00 H new ATOM 915 N ALA A 65 -1.966 -9.685 3.241 1.00 0.00 N ATOM 916 CA ALA A 65 -0.478 -9.720 3.346 1.00 0.00 C ATOM 917 C ALA A 65 -0.109 -11.073 3.936 1.00 0.00 C ATOM 918 O ALA A 65 1.001 -11.546 3.839 1.00 0.00 O ATOM 919 CB ALA A 65 0.006 -8.602 4.272 1.00 0.00 C ATOM 0 H ALA A 65 -2.442 -9.116 3.942 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.014 -9.577 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.093 -8.634 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.303 -7.637 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.427 -8.737 5.263 1.00 0.00 H new ATOM 925 N GLN A 66 -1.068 -11.668 4.562 1.00 0.00 N ATOM 926 CA GLN A 66 -0.899 -12.986 5.217 1.00 0.00 C ATOM 927 C GLN A 66 -1.066 -14.114 4.190 1.00 0.00 C ATOM 928 O GLN A 66 -0.446 -15.155 4.288 1.00 0.00 O ATOM 929 CB GLN A 66 -2.020 -13.066 6.246 1.00 0.00 C ATOM 930 CG GLN A 66 -2.200 -14.477 6.807 1.00 0.00 C ATOM 931 CD GLN A 66 -1.326 -14.658 8.051 1.00 0.00 C ATOM 932 OE1 GLN A 66 -0.225 -15.163 7.965 1.00 0.00 O ATOM 933 NE2 GLN A 66 -1.776 -14.264 9.211 1.00 0.00 N ATOM 0 H GLN A 66 -2.007 -11.279 4.652 1.00 0.00 H new ATOM 0 HA GLN A 66 0.089 -13.091 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.808 -12.378 7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.953 -12.739 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.247 -14.647 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.930 -15.215 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.701 -13.840 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.203 -14.380 10.047 1.00 0.00 H new ATOM 942 N ALA A 67 -1.922 -13.922 3.225 1.00 0.00 N ATOM 943 CA ALA A 67 -2.164 -14.985 2.210 1.00 0.00 C ATOM 944 C ALA A 67 -1.187 -14.831 1.048 1.00 0.00 C ATOM 945 O ALA A 67 -0.640 -15.794 0.547 1.00 0.00 O ATOM 946 CB ALA A 67 -3.602 -14.869 1.694 1.00 0.00 C ATOM 0 H ALA A 67 -2.467 -13.070 3.095 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.015 -15.963 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.785 -15.645 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.297 -14.991 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.748 -13.889 1.240 1.00 0.00 H new ATOM 952 N LYS A 68 -0.982 -13.624 0.604 1.00 0.00 N ATOM 953 CA LYS A 68 -0.059 -13.389 -0.541 1.00 0.00 C ATOM 954 C LYS A 68 1.301 -12.939 -0.019 1.00 0.00 C ATOM 955 O LYS A 68 2.204 -12.634 -0.773 1.00 0.00 O ATOM 956 CB LYS A 68 -0.654 -12.308 -1.438 1.00 0.00 C ATOM 957 CG LYS A 68 -2.069 -12.726 -1.868 1.00 0.00 C ATOM 958 CD LYS A 68 -3.107 -12.113 -0.923 1.00 0.00 C ATOM 959 CE LYS A 68 -4.513 -12.390 -1.459 1.00 0.00 C ATOM 960 NZ LYS A 68 -4.806 -13.847 -1.351 1.00 0.00 N ATOM 0 H LYS A 68 -1.417 -12.784 0.987 1.00 0.00 H new ATOM 0 HA LYS A 68 0.069 -14.310 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.689 -11.357 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.024 -12.160 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.258 -12.399 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.154 -13.813 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.998 -12.534 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.945 -11.039 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.249 -11.817 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.588 -12.069 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.964 -14.241 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.000 -14.331 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.658 -13.988 -0.771 1.00 0.00 H new ATOM 974 N LYS A 69 1.452 -12.908 1.271 1.00 0.00 N ATOM 975 CA LYS A 69 2.748 -12.494 1.873 1.00 0.00 C ATOM 976 C LYS A 69 3.140 -11.093 1.384 1.00 0.00 C ATOM 977 O LYS A 69 4.267 -10.670 1.540 1.00 0.00 O ATOM 978 CB LYS A 69 3.839 -13.505 1.488 1.00 0.00 C ATOM 979 CG LYS A 69 3.953 -14.591 2.566 1.00 0.00 C ATOM 980 CD LYS A 69 2.561 -15.144 2.909 1.00 0.00 C ATOM 981 CE LYS A 69 2.681 -16.608 3.343 1.00 0.00 C ATOM 982 NZ LYS A 69 1.353 -17.100 3.805 1.00 0.00 N ATOM 0 H LYS A 69 0.726 -13.154 1.943 1.00 0.00 H new ATOM 0 HA LYS A 69 2.643 -12.468 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.602 -13.960 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.795 -12.994 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.596 -15.397 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.419 -14.179 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.111 -14.554 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.904 -15.064 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.037 -17.217 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.414 -16.702 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.483 -17.744 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.766 -16.293 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.882 -17.608 3.029 1.00 0.00 H new ATOM 996 N HIS A 70 2.218 -10.353 0.824 1.00 0.00 N ATOM 997 CA HIS A 70 2.557 -8.969 0.372 1.00 0.00 C ATOM 998 C HIS A 70 2.643 -8.089 1.621 1.00 0.00 C ATOM 999 O HIS A 70 1.688 -7.960 2.361 1.00 0.00 O ATOM 1000 CB HIS A 70 1.468 -8.459 -0.576 1.00 0.00 C ATOM 1001 CG HIS A 70 1.520 -9.257 -1.853 1.00 0.00 C ATOM 1002 ND1 HIS A 70 2.556 -9.893 -2.498 1.00 0.00 N flip ATOM 1003 CD2 HIS A 70 0.395 -9.484 -2.634 1.00 0.00 C flip ATOM 1004 CE1 HIS A 70 2.081 -10.499 -3.653 1.00 0.00 C flip ATOM 1005 NE2 HIS A 70 0.777 -10.225 -3.691 1.00 0.00 N flip ATOM 0 H HIS A 70 1.254 -10.643 0.661 1.00 0.00 H new ATOM 0 HA HIS A 70 3.505 -8.950 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.487 -8.556 -0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.617 -7.400 -0.787 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.524 -9.916 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.605 -9.130 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.649 -11.072 -4.371 1.00 0.00 H new ATOM 1013 N ASN A 71 3.786 -7.513 1.893 1.00 0.00 N ATOM 1014 CA ASN A 71 3.925 -6.689 3.128 1.00 0.00 C ATOM 1015 C ASN A 71 3.556 -5.229 2.860 1.00 0.00 C ATOM 1016 O ASN A 71 2.940 -4.580 3.681 1.00 0.00 O ATOM 1017 CB ASN A 71 5.375 -6.765 3.612 1.00 0.00 C ATOM 1018 CG ASN A 71 6.316 -6.846 2.408 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.893 -5.856 2.005 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.497 -7.994 1.813 1.00 0.00 N ATOM 0 H ASN A 71 4.624 -7.578 1.316 1.00 0.00 H new ATOM 0 HA ASN A 71 3.247 -7.078 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.614 -5.889 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.510 -7.638 4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.123 -8.059 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.013 -8.826 2.151 1.00 0.00 H new ATOM 1027 N LEU A 72 3.957 -4.695 1.743 1.00 0.00 N ATOM 1028 CA LEU A 72 3.668 -3.260 1.461 1.00 0.00 C ATOM 1029 C LEU A 72 2.259 -3.038 0.915 1.00 0.00 C ATOM 1030 O LEU A 72 1.798 -3.712 0.015 1.00 0.00 O ATOM 1031 CB LEU A 72 4.682 -2.742 0.450 1.00 0.00 C ATOM 1032 CG LEU A 72 6.068 -2.727 1.092 1.00 0.00 C ATOM 1033 CD1 LEU A 72 7.128 -2.596 0.002 1.00 0.00 C ATOM 1034 CD2 LEU A 72 6.185 -1.542 2.062 1.00 0.00 C ATOM 0 H LEU A 72 4.472 -5.187 1.013 1.00 0.00 H new ATOM 0 HA LEU A 72 3.739 -2.719 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.686 -3.376 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.408 -1.739 0.124 1.00 0.00 H new ATOM 0 HG LEU A 72 6.218 -3.656 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.118 -2.585 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.052 -3.441 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.971 -1.668 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.176 -1.539 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.032 -0.610 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.430 -1.635 2.842 1.00 0.00 H new ATOM 1046 N THR A 73 1.603 -2.045 1.450 1.00 0.00 N ATOM 1047 CA THR A 73 0.238 -1.668 0.998 1.00 0.00 C ATOM 1048 C THR A 73 0.105 -0.164 1.240 1.00 0.00 C ATOM 1049 O THR A 73 0.862 0.396 2.003 1.00 0.00 O ATOM 1050 CB THR A 73 -0.819 -2.423 1.811 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.059 -1.730 3.027 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.325 -3.837 2.118 1.00 0.00 C ATOM 0 H THR A 73 1.970 -1.464 2.204 1.00 0.00 H new ATOM 0 HA THR A 73 0.088 -1.919 -0.052 1.00 0.00 H new ATOM 0 HB THR A 73 -1.742 -2.484 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.987 -1.415 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.081 -4.369 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.141 -4.369 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.600 -3.783 2.693 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.815 0.514 0.604 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.911 1.992 0.829 1.00 0.00 C ATOM 1062 C VAL A 74 -2.297 2.390 1.332 1.00 0.00 C ATOM 1063 O VAL A 74 -3.313 2.038 0.766 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.602 2.725 -0.481 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.318 2.026 -1.639 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.083 4.178 -0.395 1.00 0.00 C ATOM 0 H VAL A 74 -1.493 0.121 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.185 2.272 1.593 1.00 0.00 H new ATOM 0 HB VAL A 74 0.475 2.711 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.098 2.547 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.973 0.994 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.393 2.038 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.859 4.691 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.159 4.195 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.573 4.682 0.426 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.326 3.147 2.399 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.619 3.611 2.967 1.00 0.00 C ATOM 1078 C ASN A 75 -4.079 4.839 2.184 1.00 0.00 C ATOM 1079 O ASN A 75 -3.600 5.937 2.392 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.423 3.977 4.444 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.741 3.800 5.200 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.859 4.156 4.631 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -4.753 3.331 6.322 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.498 3.464 2.903 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.369 2.824 2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.652 3.346 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.079 5.008 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -3.879 3.052 6.768 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.637 3.216 6.817 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.998 4.662 1.282 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.485 5.812 0.475 1.00 0.00 C ATOM 1092 C LEU A 76 -6.272 6.756 1.379 1.00 0.00 C ATOM 1093 O LEU A 76 -6.977 7.636 0.924 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.368 5.283 -0.655 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.686 4.055 -1.295 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.616 2.843 -1.217 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.343 4.337 -2.761 1.00 0.00 C ATOM 0 H LEU A 76 -5.436 3.766 1.067 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.648 6.359 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.350 5.009 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.525 6.059 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.767 3.846 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.128 1.980 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.843 2.625 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.541 3.059 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.863 3.461 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.256 4.562 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.665 5.189 -2.819 1.00 0.00 H new ATOM 1109 N THR A 77 -6.134 6.583 2.662 1.00 0.00 N ATOM 1110 CA THR A 77 -6.842 7.463 3.627 1.00 0.00 C ATOM 1111 C THR A 77 -5.894 8.584 4.040 1.00 0.00 C ATOM 1112 O THR A 77 -6.285 9.724 4.194 1.00 0.00 O ATOM 1113 CB THR A 77 -7.223 6.645 4.857 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.969 5.513 4.444 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.054 7.509 5.811 1.00 0.00 C ATOM 0 H THR A 77 -5.553 5.860 3.087 1.00 0.00 H new ATOM 0 HA THR A 77 -7.741 7.880 3.174 1.00 0.00 H new ATOM 0 HB THR A 77 -6.325 6.314 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.363 4.757 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.325 6.923 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.470 8.376 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.959 7.843 5.304 1.00 0.00 H new ATOM 1123 N THR A 78 -4.645 8.253 4.222 1.00 0.00 N ATOM 1124 CA THR A 78 -3.639 9.280 4.633 1.00 0.00 C ATOM 1125 C THR A 78 -2.532 9.396 3.582 1.00 0.00 C ATOM 1126 O THR A 78 -1.769 10.340 3.580 1.00 0.00 O ATOM 1127 CB THR A 78 -3.019 8.873 5.969 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.047 8.456 6.858 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.270 10.062 6.572 1.00 0.00 C ATOM 0 H THR A 78 -4.274 7.310 4.104 1.00 0.00 H new ATOM 0 HA THR A 78 -4.140 10.243 4.729 1.00 0.00 H new ATOM 0 HB THR A 78 -2.320 8.052 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.149 9.118 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.829 9.769 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.482 10.379 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.965 10.886 6.732 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.439 8.448 2.688 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.384 8.502 1.630 1.00 0.00 C ATOM 1139 C PHE A 79 -0.031 8.058 2.202 1.00 0.00 C ATOM 1140 O PHE A 79 0.961 8.753 2.097 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.267 9.924 1.067 1.00 0.00 C ATOM 1142 CG PHE A 79 -2.634 10.566 1.019 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -3.700 9.897 0.405 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -2.835 11.830 1.588 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -4.967 10.492 0.359 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -4.103 12.424 1.543 1.00 0.00 C ATOM 1147 CZ PHE A 79 -5.168 11.755 0.929 1.00 0.00 C ATOM 0 H PHE A 79 -3.051 7.633 2.644 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.669 7.824 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.597 10.518 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.833 9.895 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.545 8.922 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.013 12.346 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.789 9.977 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.259 13.398 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.145 12.213 0.895 1.00 0.00 H new ATOM 1157 N ARG A 80 0.017 6.888 2.777 1.00 0.00 N ATOM 1158 CA ARG A 80 1.293 6.352 3.330 1.00 0.00 C ATOM 1159 C ARG A 80 1.302 4.852 3.060 1.00 0.00 C ATOM 1160 O ARG A 80 0.385 4.323 2.469 1.00 0.00 O ATOM 1161 CB ARG A 80 1.408 6.612 4.842 1.00 0.00 C ATOM 1162 CG ARG A 80 0.059 7.057 5.421 1.00 0.00 C ATOM 1163 CD ARG A 80 0.055 6.794 6.932 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.272 7.149 7.515 1.00 0.00 N ATOM 1165 CZ ARG A 80 -2.210 6.243 7.622 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.359 6.558 8.156 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -2.004 5.028 7.190 1.00 0.00 N ATOM 0 H ARG A 80 -0.787 6.271 2.889 1.00 0.00 H new ATOM 0 HA ARG A 80 2.139 6.849 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.745 5.707 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.160 7.379 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.105 8.116 5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.755 6.513 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.276 5.744 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.839 7.379 7.412 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.449 8.102 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.524 7.508 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.092 5.854 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.109 4.782 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.738 4.325 7.276 1.00 0.00 H new ATOM 1181 N LEU A 81 2.324 4.162 3.468 1.00 0.00 N ATOM 1182 CA LEU A 81 2.378 2.697 3.205 1.00 0.00 C ATOM 1183 C LEU A 81 2.364 1.922 4.518 1.00 0.00 C ATOM 1184 O LEU A 81 2.337 2.482 5.594 1.00 0.00 O ATOM 1185 CB LEU A 81 3.660 2.371 2.428 1.00 0.00 C ATOM 1186 CG LEU A 81 3.378 2.354 0.920 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.625 2.830 0.164 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.008 0.932 0.456 1.00 0.00 C ATOM 0 H LEU A 81 3.124 4.545 3.971 1.00 0.00 H new ATOM 0 HA LEU A 81 1.506 2.407 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.428 3.111 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.048 1.403 2.743 1.00 0.00 H new ATOM 0 HG LEU A 81 2.541 3.020 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.427 2.819 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.875 3.844 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.460 2.166 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.811 0.939 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.834 0.253 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.117 0.597 0.986 1.00 0.00 H new ATOM 1200 N TRP A 82 2.392 0.628 4.414 1.00 0.00 N ATOM 1201 CA TRP A 82 2.393 -0.239 5.618 1.00 0.00 C ATOM 1202 C TRP A 82 3.059 -1.553 5.235 1.00 0.00 C ATOM 1203 O TRP A 82 2.527 -2.327 4.464 1.00 0.00 O ATOM 1204 CB TRP A 82 0.955 -0.498 6.071 1.00 0.00 C ATOM 1205 CG TRP A 82 0.959 -1.431 7.240 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.175 -2.765 7.167 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.743 -1.128 8.647 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.105 -3.299 8.441 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.840 -2.330 9.387 1.00 0.00 C ATOM 1210 CE3 TRP A 82 0.474 0.061 9.348 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.678 -2.352 10.774 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 0.309 0.044 10.742 1.00 0.00 C ATOM 1213 CH2 TRP A 82 0.411 -1.160 11.454 1.00 0.00 C ATOM 0 H TRP A 82 2.415 0.124 3.527 1.00 0.00 H new ATOM 0 HA TRP A 82 2.930 0.240 6.437 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.474 0.441 6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.376 -0.926 5.253 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.370 -3.321 6.262 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.234 -4.288 8.655 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.394 0.994 8.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.758 -3.282 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.102 0.964 11.269 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.283 -1.166 12.526 1.00 0.00 H new ATOM 1224 N CYS A 83 4.227 -1.806 5.746 1.00 0.00 N ATOM 1225 CA CYS A 83 4.935 -3.058 5.386 1.00 0.00 C ATOM 1226 C CYS A 83 4.653 -4.132 6.425 1.00 0.00 C ATOM 1227 O CYS A 83 5.152 -4.071 7.520 1.00 0.00 O ATOM 1228 CB CYS A 83 6.439 -2.787 5.353 1.00 0.00 C ATOM 1229 SG CYS A 83 7.192 -3.761 4.031 1.00 0.00 S ATOM 0 H CYS A 83 4.722 -1.198 6.399 1.00 0.00 H new ATOM 0 HA CYS A 83 4.589 -3.398 4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.625 -1.726 5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.888 -3.046 6.312 1.00 0.00 H new ATOM 0 HG CYS A 83 8.458 -3.923 4.279 1.00 0.00 H new ATOM 1234 N TYR A 84 3.892 -5.134 6.096 1.00 0.00 N ATOM 1235 CA TYR A 84 3.655 -6.204 7.097 1.00 0.00 C ATOM 1236 C TYR A 84 4.974 -6.951 7.264 1.00 0.00 C ATOM 1237 O TYR A 84 5.085 -7.901 8.014 1.00 0.00 O ATOM 1238 CB TYR A 84 2.556 -7.159 6.609 1.00 0.00 C ATOM 1239 CG TYR A 84 1.877 -7.799 7.798 1.00 0.00 C ATOM 1240 CD1 TYR A 84 0.968 -7.062 8.566 1.00 0.00 C ATOM 1241 CD2 TYR A 84 2.159 -9.131 8.133 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.339 -7.655 9.668 1.00 0.00 C ATOM 1243 CE2 TYR A 84 1.530 -9.723 9.235 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.620 -8.985 10.002 1.00 0.00 C ATOM 1245 OH TYR A 84 0.001 -9.570 11.088 1.00 0.00 O ATOM 0 H TYR A 84 3.431 -5.258 5.194 1.00 0.00 H new ATOM 0 HA TYR A 84 3.323 -5.784 8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.826 -6.614 6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.986 -7.927 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.752 -6.036 8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.861 -9.700 7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.363 -7.086 10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.747 -10.749 9.494 1.00 0.00 H new ATOM 0 HH TYR A 84 0.307 -10.496 11.179 1.00 0.00 H new ATOM 1255 N ALA A 85 5.990 -6.487 6.579 1.00 0.00 N ATOM 1256 CA ALA A 85 7.331 -7.109 6.692 1.00 0.00 C ATOM 1257 C ALA A 85 8.146 -6.229 7.635 1.00 0.00 C ATOM 1258 O ALA A 85 8.395 -6.586 8.769 1.00 0.00 O ATOM 1259 CB ALA A 85 8.013 -7.168 5.323 1.00 0.00 C ATOM 0 H ALA A 85 5.939 -5.693 5.940 1.00 0.00 H new ATOM 0 HA ALA A 85 7.251 -8.129 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.996 -7.628 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.405 -7.760 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.124 -6.158 4.928 1.00 0.00 H new ATOM 1265 N CYS A 86 8.510 -5.045 7.200 1.00 0.00 N ATOM 1266 CA CYS A 86 9.233 -4.132 8.109 1.00 0.00 C ATOM 1267 C CYS A 86 8.253 -3.819 9.229 1.00 0.00 C ATOM 1268 O CYS A 86 8.595 -3.274 10.260 1.00 0.00 O ATOM 1269 CB CYS A 86 9.613 -2.844 7.366 1.00 0.00 C ATOM 1270 SG CYS A 86 10.549 -3.250 5.871 1.00 0.00 S ATOM 0 H CYS A 86 8.335 -4.684 6.262 1.00 0.00 H new ATOM 0 HA CYS A 86 10.154 -4.576 8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.714 -2.287 7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.208 -2.201 8.015 1.00 0.00 H new ATOM 0 HG CYS A 86 10.078 -2.572 4.867 1.00 0.00 H new ATOM 1275 N GLU A 87 7.020 -4.187 9.004 1.00 0.00 N ATOM 1276 CA GLU A 87 5.950 -3.957 10.006 1.00 0.00 C ATOM 1277 C GLU A 87 6.006 -2.505 10.488 1.00 0.00 C ATOM 1278 O GLU A 87 6.262 -2.220 11.641 1.00 0.00 O ATOM 1279 CB GLU A 87 6.147 -4.945 11.158 1.00 0.00 C ATOM 1280 CG GLU A 87 4.928 -5.867 11.273 1.00 0.00 C ATOM 1281 CD GLU A 87 3.748 -5.086 11.853 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.772 -3.869 11.774 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.840 -5.719 12.368 1.00 0.00 O ATOM 0 H GLU A 87 6.708 -4.647 8.149 1.00 0.00 H new ATOM 0 HA GLU A 87 4.965 -4.121 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.047 -5.537 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.292 -4.403 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.667 -6.266 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.162 -6.719 11.911 1.00 0.00 H new ATOM 1290 N LYS A 88 5.759 -1.585 9.595 1.00 0.00 N ATOM 1291 CA LYS A 88 5.784 -0.143 9.968 1.00 0.00 C ATOM 1292 C LYS A 88 5.085 0.664 8.873 1.00 0.00 C ATOM 1293 O LYS A 88 4.589 0.114 7.912 1.00 0.00 O ATOM 1294 CB LYS A 88 7.233 0.327 10.096 1.00 0.00 C ATOM 1295 CG LYS A 88 8.046 -0.233 8.930 1.00 0.00 C ATOM 1296 CD LYS A 88 9.433 0.417 8.907 1.00 0.00 C ATOM 1297 CE LYS A 88 10.227 -0.011 10.146 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.905 0.898 11.282 1.00 0.00 N ATOM 0 H LYS A 88 5.540 -1.773 8.617 1.00 0.00 H new ATOM 0 HA LYS A 88 5.273 0.000 10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.276 1.416 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.655 -0.008 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.142 -1.314 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.529 -0.043 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.967 0.125 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.336 1.502 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.983 -1.040 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.296 0.019 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.785 1.294 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.296 1.671 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.409 0.364 12.024 1.00 0.00 H new ATOM 1312 N GLU A 89 5.049 1.962 9.008 1.00 0.00 N ATOM 1313 CA GLU A 89 4.388 2.812 7.971 1.00 0.00 C ATOM 1314 C GLU A 89 5.468 3.557 7.186 1.00 0.00 C ATOM 1315 O GLU A 89 6.502 3.901 7.722 1.00 0.00 O ATOM 1316 CB GLU A 89 3.449 3.815 8.662 1.00 0.00 C ATOM 1317 CG GLU A 89 2.040 3.713 8.066 1.00 0.00 C ATOM 1318 CD GLU A 89 1.024 4.284 9.058 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.189 5.427 9.452 1.00 0.00 O ATOM 1320 OE2 GLU A 89 0.099 3.569 9.406 1.00 0.00 O ATOM 0 H GLU A 89 5.450 2.474 9.794 1.00 0.00 H new ATOM 0 HA GLU A 89 3.805 2.193 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.415 3.615 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.832 4.828 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.991 4.260 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.802 2.673 7.844 1.00 0.00 H new ATOM 1327 N VAL A 90 5.257 3.798 5.917 1.00 0.00 N ATOM 1328 CA VAL A 90 6.308 4.504 5.130 1.00 0.00 C ATOM 1329 C VAL A 90 5.676 5.234 3.939 1.00 0.00 C ATOM 1330 O VAL A 90 4.674 4.828 3.407 1.00 0.00 O ATOM 1331 CB VAL A 90 7.330 3.466 4.619 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.583 3.486 5.501 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.704 2.068 4.669 1.00 0.00 C ATOM 0 H VAL A 90 4.416 3.541 5.400 1.00 0.00 H new ATOM 0 HA VAL A 90 6.806 5.237 5.765 1.00 0.00 H new ATOM 0 HB VAL A 90 7.606 3.713 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.299 2.751 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.034 4.478 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.309 3.244 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.424 1.334 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.426 1.830 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.815 2.044 4.038 1.00 0.00 H new ATOM 1343 N PHE A 91 6.277 6.302 3.507 1.00 0.00 N ATOM 1344 CA PHE A 91 5.741 7.052 2.337 1.00 0.00 C ATOM 1345 C PHE A 91 6.574 6.682 1.131 1.00 0.00 C ATOM 1346 O PHE A 91 7.602 6.048 1.253 1.00 0.00 O ATOM 1347 CB PHE A 91 5.895 8.555 2.537 1.00 0.00 C ATOM 1348 CG PHE A 91 5.145 8.992 3.773 1.00 0.00 C ATOM 1349 CD1 PHE A 91 3.829 9.457 3.666 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.767 8.933 5.026 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.134 9.861 4.812 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.072 9.337 6.172 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.755 9.802 6.065 1.00 0.00 C ATOM 0 H PHE A 91 7.125 6.693 3.917 1.00 0.00 H new ATOM 0 HA PHE A 91 4.687 6.804 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.950 8.811 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.516 9.087 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.350 9.504 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.783 8.576 5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.118 10.218 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.551 9.290 7.139 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.219 10.115 6.949 1.00 0.00 H new ATOM 1363 N LEU A 92 6.162 7.087 -0.032 1.00 0.00 N ATOM 1364 CA LEU A 92 6.967 6.773 -1.227 1.00 0.00 C ATOM 1365 C LEU A 92 8.423 7.125 -0.912 1.00 0.00 C ATOM 1366 O LEU A 92 8.748 7.572 0.169 1.00 0.00 O ATOM 1367 CB LEU A 92 6.459 7.594 -2.416 1.00 0.00 C ATOM 1368 CG LEU A 92 4.926 7.630 -2.389 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.399 8.268 -3.676 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.382 6.203 -2.273 1.00 0.00 C ATOM 0 H LEU A 92 5.308 7.618 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 92 6.888 5.717 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.859 8.607 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.808 7.155 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 92 4.598 8.219 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.310 8.291 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.781 9.285 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.730 7.683 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.292 6.229 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.716 5.616 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.750 5.747 -1.354 1.00 0.00 H new ATOM 1382 N GLU A 93 9.299 6.919 -1.830 1.00 0.00 N ATOM 1383 CA GLU A 93 10.734 7.225 -1.560 1.00 0.00 C ATOM 1384 C GLU A 93 10.966 8.738 -1.601 1.00 0.00 C ATOM 1385 O GLU A 93 12.072 9.208 -1.427 1.00 0.00 O ATOM 1386 CB GLU A 93 11.625 6.517 -2.589 1.00 0.00 C ATOM 1387 CG GLU A 93 11.021 6.642 -3.991 1.00 0.00 C ATOM 1388 CD GLU A 93 11.605 5.556 -4.898 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.405 4.391 -4.598 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.241 5.908 -5.877 1.00 0.00 O ATOM 0 H GLU A 93 9.097 6.552 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 93 10.994 6.861 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.624 6.953 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.732 5.465 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.937 6.545 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.234 7.628 -4.403 1.00 0.00 H new ATOM 1397 N GLN A 94 9.925 9.502 -1.810 1.00 0.00 N ATOM 1398 CA GLN A 94 10.066 10.991 -1.845 1.00 0.00 C ATOM 1399 C GLN A 94 10.973 11.421 -3.004 1.00 0.00 C ATOM 1400 O GLN A 94 10.794 12.474 -3.581 1.00 0.00 O ATOM 1401 CB GLN A 94 10.663 11.483 -0.523 1.00 0.00 C ATOM 1402 CG GLN A 94 9.961 10.792 0.648 1.00 0.00 C ATOM 1403 CD GLN A 94 10.399 11.442 1.962 1.00 0.00 C ATOM 1404 OE1 GLN A 94 9.574 11.840 2.760 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.671 11.568 2.221 1.00 0.00 N ATOM 0 H GLN A 94 8.977 9.157 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 94 9.079 11.429 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.732 11.272 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.549 12.564 -0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.880 10.870 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.205 9.730 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.363 11.234 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.973 12.001 3.094 1.00 0.00 H new