USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 819 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 85 SER OG : rot 81:sc= -2.24! USER MOD Set 1.2: A 88 ASN : amide:sc= -2.53 K(o=-4.8,f=-6.9!) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= 1.3 F(o=0.16,f=1.3) USER MOD Set 2.2: A 72 ASN :FLIP amide:sc= -0.0262 F(o=-0.22,f=1.3) USER MOD Set 3.1: A 48 HIS : no HD1:sc= -2.49! C(o=-1.8!,f=-3.7!) USER MOD Set 3.2: A 52 TYR OH : rot -26:sc= 0.699 USER MOD Set 4.1: A 25 TYR OH : rot -15:sc= 0 USER MOD Set 4.2: A 115 HIS :FLIP no HD1:sc= -1.16 F(o=-2,f=-1.2) USER MOD Set 5.1: A 24 ASN : amide:sc= -0.109 X(o=-3,f=-3.2) USER MOD Set 5.2: A 117 ASN : amide:sc= -2.92 K(o=-3,f=-7.7!) USER MOD Set 6.1: A 15 SER OG : rot 180:sc= 0.0566 USER MOD Set 6.2: A 16 SER OG : rot -170:sc= -0.686 USER MOD Single : A 6 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.3!) USER MOD Single : A 8 MET CE :methyl -137:sc= -2.2 (180deg=-5.78!) USER MOD Single : A 10 LYS NZ :NH3+ 144:sc= -0.0204 (180deg=-0.0735) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= 0.509 (180deg=-0.211) USER MOD Single : A 23 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.4!) USER MOD Single : A 28 TYR OH : rot 159:sc= 0.451 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.9!) USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.329 USER MOD Single : A 50 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= -0.15 (180deg=-0.862) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -63:sc= 1.12 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.42 F(o=-2.4!,f=-1.4) USER MOD Single : A 73 TYR OH : rot 165:sc= 0.524 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.557 USER MOD Single : A 79 ASN : amide:sc= -0.0991 K(o=-0.099,f=-1.2) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.111 F(o=-0.78,f=-0.11) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 89 ASN : amide:sc= -1.63! C(o=-1.6!,f=-13!) USER MOD Single : A 97 ASN : amide:sc= -0.0833 K(o=-0.083,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Single : A 107 SER OG : rot -59:sc= 1.17 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 165:sc= -0.0708 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0822 F(o=-0.82,f=-0.082) USER MOD Single : A 113 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00321) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -112:sc= -0.436 (180deg=-2.25!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.373 -6.122 -4.756 1.00 0.00 N ATOM 14 CA LEU A 2 84.986 -4.912 -4.135 1.00 0.00 C ATOM 15 C LEU A 2 84.495 -4.757 -2.692 1.00 0.00 C ATOM 16 O LEU A 2 85.025 -3.974 -1.927 1.00 0.00 O ATOM 17 CB LEU A 2 84.507 -3.742 -4.994 1.00 0.00 C ATOM 18 CG LEU A 2 85.716 -3.013 -5.582 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.239 -1.875 -6.486 1.00 0.00 C ATOM 20 CD2 LEU A 2 86.565 -2.438 -4.445 1.00 0.00 C ATOM 0 HA LEU A 2 86.074 -4.970 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.863 -4.105 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.912 -3.055 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 2 86.313 -3.713 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 2 86.102 -1.357 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.633 -2.283 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 2 84.642 -1.174 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 2 87.427 -1.918 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 2 85.966 -1.738 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.907 -3.248 -3.800 1.00 0.00 H new ATOM 32 N TRP A 3 83.488 -5.496 -2.318 1.00 0.00 N ATOM 33 CA TRP A 3 82.960 -5.393 -0.926 1.00 0.00 C ATOM 34 C TRP A 3 83.984 -5.938 0.074 1.00 0.00 C ATOM 35 O TRP A 3 83.886 -5.710 1.263 1.00 0.00 O ATOM 36 CB TRP A 3 81.700 -6.258 -0.921 1.00 0.00 C ATOM 37 CG TRP A 3 82.073 -7.678 -1.208 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.063 -8.251 -2.435 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.512 -8.710 -0.278 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.467 -9.568 -2.315 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.754 -9.899 -1.007 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.721 -8.731 1.113 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.188 -11.065 -0.378 1.00 0.00 C ATOM 44 CZ3 TRP A 3 83.158 -9.905 1.748 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.390 -11.070 1.003 1.00 0.00 C ATOM 0 H TRP A 3 83.006 -6.168 -2.916 1.00 0.00 H new ATOM 0 HA TRP A 3 82.754 -4.362 -0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.202 -6.189 0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 3 80.994 -5.897 -1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 3 81.785 -7.760 -3.356 1.00 0.00 H new ATOM 0 HE1 TRP A 3 82.544 -10.216 -3.099 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.544 -7.839 1.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.367 -11.959 -0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 83.316 -9.910 2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.725 -11.970 1.497 1.00 0.00 H new ATOM 56 N GLN A 4 84.966 -6.658 -0.400 1.00 0.00 N ATOM 57 CA GLN A 4 85.992 -7.219 0.526 1.00 0.00 C ATOM 58 C GLN A 4 86.781 -6.088 1.192 1.00 0.00 C ATOM 59 O GLN A 4 87.077 -6.134 2.369 1.00 0.00 O ATOM 60 CB GLN A 4 86.907 -8.060 -0.365 1.00 0.00 C ATOM 61 CG GLN A 4 86.090 -9.170 -1.029 1.00 0.00 C ATOM 62 CD GLN A 4 86.735 -10.526 -0.731 1.00 0.00 C ATOM 63 OE1 GLN A 4 87.958 -10.752 -1.124 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 86.119 -11.386 -0.135 1.00 0.00 N flip ATOM 0 H GLN A 4 85.102 -6.881 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 4 85.548 -7.808 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.371 -7.431 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.713 -8.492 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.065 -9.153 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.042 -9.007 -2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 4 85.163 -11.208 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 4 86.558 -12.286 0.059 1.00 0.00 H new ATOM 73 N PHE A 5 87.123 -5.072 0.447 1.00 0.00 N ATOM 74 CA PHE A 5 87.891 -3.939 1.039 1.00 0.00 C ATOM 75 C PHE A 5 87.216 -3.461 2.327 1.00 0.00 C ATOM 76 O PHE A 5 87.832 -3.392 3.372 1.00 0.00 O ATOM 77 CB PHE A 5 87.856 -2.840 -0.025 1.00 0.00 C ATOM 78 CG PHE A 5 88.670 -1.658 0.444 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.859 -1.863 1.156 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.237 -0.355 0.166 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.612 -0.765 1.591 1.00 0.00 C ATOM 82 CE2 PHE A 5 88.991 0.742 0.601 1.00 0.00 C ATOM 83 CZ PHE A 5 90.179 0.536 1.313 1.00 0.00 C ATOM 0 H PHE A 5 86.904 -4.977 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 5 88.911 -4.221 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.254 -3.218 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 5 86.827 -2.534 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.195 -2.867 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.321 -0.196 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.528 -0.923 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.656 1.746 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.761 1.382 1.648 1.00 0.00 H new ATOM 93 N ASN A 6 85.956 -3.130 2.261 1.00 0.00 N ATOM 94 CA ASN A 6 85.242 -2.656 3.481 1.00 0.00 C ATOM 95 C ASN A 6 85.363 -3.691 4.603 1.00 0.00 C ATOM 96 O ASN A 6 85.499 -3.351 5.762 1.00 0.00 O ATOM 97 CB ASN A 6 83.785 -2.501 3.050 1.00 0.00 C ATOM 98 CG ASN A 6 83.572 -1.105 2.459 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.522 -0.422 2.129 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.358 -0.653 2.310 1.00 0.00 N ATOM 0 H ASN A 6 85.389 -3.167 1.414 1.00 0.00 H new ATOM 0 HA ASN A 6 85.656 -1.724 3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.530 -3.262 2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.124 -2.650 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.204 0.275 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.562 -1.228 2.587 1.00 0.00 H new ATOM 107 N GLY A 7 85.315 -4.951 4.269 1.00 0.00 N ATOM 108 CA GLY A 7 85.427 -6.005 5.318 1.00 0.00 C ATOM 109 C GLY A 7 86.741 -5.836 6.082 1.00 0.00 C ATOM 110 O GLY A 7 86.803 -6.033 7.280 1.00 0.00 O ATOM 0 H GLY A 7 85.203 -5.297 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.584 -5.938 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.386 -6.993 4.860 1.00 0.00 H new ATOM 114 N MET A 8 87.795 -5.476 5.402 1.00 0.00 N ATOM 115 CA MET A 8 89.104 -5.299 6.095 1.00 0.00 C ATOM 116 C MET A 8 89.014 -4.167 7.121 1.00 0.00 C ATOM 117 O MET A 8 89.393 -4.323 8.265 1.00 0.00 O ATOM 118 CB MET A 8 90.095 -4.942 4.985 1.00 0.00 C ATOM 119 CG MET A 8 90.263 -6.135 4.042 1.00 0.00 C ATOM 120 SD MET A 8 91.903 -6.074 3.278 1.00 0.00 S ATOM 121 CE MET A 8 92.333 -7.814 3.522 1.00 0.00 C ATOM 0 H MET A 8 87.807 -5.297 4.398 1.00 0.00 H new ATOM 0 HA MET A 8 89.406 -6.194 6.639 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.738 -4.075 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.058 -4.669 5.417 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.141 -7.068 4.593 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.491 -6.116 3.273 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.367 -7.889 3.860 1.00 0.00 H new ATOM 0 HE2 MET A 8 91.673 -8.250 4.272 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.219 -8.352 2.581 1.00 0.00 H new ATOM 131 N ILE A 9 88.517 -3.028 6.725 1.00 0.00 N ATOM 132 CA ILE A 9 88.407 -1.894 7.685 1.00 0.00 C ATOM 133 C ILE A 9 87.514 -2.289 8.863 1.00 0.00 C ATOM 134 O ILE A 9 87.818 -2.011 10.006 1.00 0.00 O ATOM 135 CB ILE A 9 87.771 -0.757 6.884 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.672 -0.410 5.697 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.614 0.473 7.779 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.875 0.393 4.669 1.00 0.00 C ATOM 0 H ILE A 9 88.183 -2.834 5.781 1.00 0.00 H new ATOM 0 HA ILE A 9 89.373 -1.606 8.100 1.00 0.00 H new ATOM 0 HB ILE A 9 86.791 -1.069 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.533 0.166 6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.059 -1.322 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.161 1.283 7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.976 0.226 8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.593 0.787 8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.517 0.640 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.029 -0.199 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.510 1.312 5.128 1.00 0.00 H new ATOM 150 N LYS A 10 86.414 -2.940 8.594 1.00 0.00 N ATOM 151 CA LYS A 10 85.506 -3.355 9.701 1.00 0.00 C ATOM 152 C LYS A 10 86.284 -4.156 10.748 1.00 0.00 C ATOM 153 O LYS A 10 86.077 -4.008 11.936 1.00 0.00 O ATOM 154 CB LYS A 10 84.445 -4.230 9.033 1.00 0.00 C ATOM 155 CG LYS A 10 83.497 -3.345 8.222 1.00 0.00 C ATOM 156 CD LYS A 10 82.360 -4.195 7.654 1.00 0.00 C ATOM 157 CE LYS A 10 81.356 -3.287 6.941 1.00 0.00 C ATOM 158 NZ LYS A 10 80.474 -2.764 8.021 1.00 0.00 N ATOM 0 H LYS A 10 86.106 -3.202 7.658 1.00 0.00 H new ATOM 0 HA LYS A 10 85.064 -2.503 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.920 -4.965 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 10 83.887 -4.785 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.092 -2.554 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 10 84.041 -2.859 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.756 -4.935 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.866 -4.744 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.861 -2.476 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 10 80.783 -3.840 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.210 -1.781 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 79.615 -3.348 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.980 -2.798 8.929 1.00 0.00 H new ATOM 172 N CYS A 11 87.182 -4.999 10.317 1.00 0.00 N ATOM 173 CA CYS A 11 87.974 -5.802 11.282 1.00 0.00 C ATOM 174 C CYS A 11 88.771 -4.877 12.195 1.00 0.00 C ATOM 175 O CYS A 11 88.771 -5.015 13.403 1.00 0.00 O ATOM 176 CB CYS A 11 88.921 -6.629 10.416 1.00 0.00 C ATOM 177 SG CYS A 11 89.994 -7.628 11.477 1.00 0.00 S ATOM 0 H CYS A 11 87.400 -5.164 9.334 1.00 0.00 H new ATOM 0 HA CYS A 11 87.347 -6.426 11.919 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.350 -7.274 9.748 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.523 -5.972 9.788 1.00 0.00 H new ATOM 182 N LYS A 12 89.457 -3.936 11.616 1.00 0.00 N ATOM 183 CA LYS A 12 90.272 -2.989 12.433 1.00 0.00 C ATOM 184 C LYS A 12 89.368 -2.000 13.177 1.00 0.00 C ATOM 185 O LYS A 12 89.689 -1.550 14.258 1.00 0.00 O ATOM 186 CB LYS A 12 91.155 -2.250 11.427 1.00 0.00 C ATOM 187 CG LYS A 12 92.332 -3.142 11.031 1.00 0.00 C ATOM 188 CD LYS A 12 93.642 -2.393 11.278 1.00 0.00 C ATOM 189 CE LYS A 12 93.850 -2.210 12.783 1.00 0.00 C ATOM 190 NZ LYS A 12 95.219 -2.735 13.049 1.00 0.00 N ATOM 0 H LYS A 12 89.491 -3.778 10.609 1.00 0.00 H new ATOM 0 HA LYS A 12 90.859 -3.509 13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.574 -1.983 10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.520 -1.320 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.314 -4.066 11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.253 -3.422 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.477 -2.948 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.617 -1.422 10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.767 -1.161 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.100 -2.756 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.705 -2.111 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.152 -3.692 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.757 -2.769 12.159 1.00 0.00 H new ATOM 204 N ILE A 13 88.246 -1.651 12.608 1.00 0.00 N ATOM 205 CA ILE A 13 87.339 -0.684 13.295 1.00 0.00 C ATOM 206 C ILE A 13 85.889 -1.173 13.248 1.00 0.00 C ATOM 207 O ILE A 13 85.099 -0.698 12.457 1.00 0.00 O ATOM 208 CB ILE A 13 87.487 0.619 12.509 1.00 0.00 C ATOM 209 CG1 ILE A 13 88.971 0.919 12.292 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.846 1.763 13.298 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.117 2.208 11.481 1.00 0.00 C ATOM 0 H ILE A 13 87.919 -1.990 11.703 1.00 0.00 H new ATOM 0 HA ILE A 13 87.594 -0.564 14.348 1.00 0.00 H new ATOM 0 HB ILE A 13 86.992 0.520 11.543 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.477 1.022 13.252 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.448 0.091 11.768 1.00 0.00 H new ATOM 0 HG21 ILE A 13 86.950 2.693 12.740 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.788 1.550 13.454 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.342 1.862 14.263 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.174 2.423 11.326 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.626 2.088 10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.655 3.033 12.023 1.00 0.00 H new ATOM 223 N PRO A 14 85.586 -2.105 14.110 1.00 0.00 N ATOM 224 CA PRO A 14 84.215 -2.662 14.178 1.00 0.00 C ATOM 225 C PRO A 14 83.291 -1.685 14.910 1.00 0.00 C ATOM 226 O PRO A 14 82.084 -1.747 14.793 1.00 0.00 O ATOM 227 CB PRO A 14 84.390 -3.945 14.986 1.00 0.00 C ATOM 228 CG PRO A 14 85.617 -3.722 15.815 1.00 0.00 C ATOM 229 CD PRO A 14 86.485 -2.724 15.089 1.00 0.00 C ATOM 0 HA PRO A 14 83.770 -2.839 13.199 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.520 -4.137 15.614 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.508 -4.809 14.332 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.348 -3.348 16.803 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.154 -4.659 15.964 1.00 0.00 H new ATOM 0 HD2 PRO A 14 86.897 -1.983 15.774 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.329 -3.212 14.601 1.00 0.00 H new ATOM 237 N SER A 15 83.854 -0.784 15.669 1.00 0.00 N ATOM 238 CA SER A 15 83.018 0.197 16.416 1.00 0.00 C ATOM 239 C SER A 15 82.719 1.420 15.544 1.00 0.00 C ATOM 240 O SER A 15 82.143 2.390 15.996 1.00 0.00 O ATOM 241 CB SER A 15 83.867 0.594 17.622 1.00 0.00 C ATOM 242 OG SER A 15 85.141 1.037 17.173 1.00 0.00 O ATOM 0 H SER A 15 84.860 -0.685 15.804 1.00 0.00 H new ATOM 0 HA SER A 15 82.055 -0.221 16.710 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.372 1.385 18.186 1.00 0.00 H new ATOM 0 HB3 SER A 15 83.981 -0.255 18.296 1.00 0.00 H new ATOM 0 HG SER A 15 85.688 1.294 17.944 1.00 0.00 H new ATOM 248 N SER A 16 83.106 1.386 14.298 1.00 0.00 N ATOM 249 CA SER A 16 82.842 2.551 13.406 1.00 0.00 C ATOM 250 C SER A 16 82.366 2.073 12.031 1.00 0.00 C ATOM 251 O SER A 16 83.010 1.273 11.383 1.00 0.00 O ATOM 252 CB SER A 16 84.183 3.271 13.290 1.00 0.00 C ATOM 253 OG SER A 16 84.797 3.331 14.572 1.00 0.00 O ATOM 0 H SER A 16 83.592 0.604 13.860 1.00 0.00 H new ATOM 0 HA SER A 16 82.062 3.203 13.799 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.831 2.746 12.588 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.036 4.277 12.897 1.00 0.00 H new ATOM 0 HG SER A 16 85.576 3.925 14.534 1.00 0.00 H new ATOM 259 N GLU A 17 81.240 2.559 11.582 1.00 0.00 N ATOM 260 CA GLU A 17 80.723 2.135 10.249 1.00 0.00 C ATOM 261 C GLU A 17 81.565 2.761 9.132 1.00 0.00 C ATOM 262 O GLU A 17 81.641 3.969 9.016 1.00 0.00 O ATOM 263 CB GLU A 17 79.287 2.661 10.199 1.00 0.00 C ATOM 264 CG GLU A 17 78.434 1.910 11.223 1.00 0.00 C ATOM 265 CD GLU A 17 78.222 2.790 12.457 1.00 0.00 C ATOM 266 OE1 GLU A 17 77.413 3.700 12.380 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.871 2.539 13.459 1.00 0.00 O ATOM 0 H GLU A 17 80.656 3.231 12.080 1.00 0.00 H new ATOM 0 HA GLU A 17 80.767 1.055 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.272 3.730 10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 17 78.874 2.529 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 77.472 1.643 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.924 0.979 11.507 1.00 0.00 H new ATOM 274 N PRO A 18 82.174 1.913 8.347 1.00 0.00 N ATOM 275 CA PRO A 18 83.026 2.387 7.228 1.00 0.00 C ATOM 276 C PRO A 18 82.163 2.934 6.086 1.00 0.00 C ATOM 277 O PRO A 18 82.496 3.923 5.463 1.00 0.00 O ATOM 278 CB PRO A 18 83.772 1.131 6.790 1.00 0.00 C ATOM 279 CG PRO A 18 82.901 -0.009 7.216 1.00 0.00 C ATOM 280 CD PRO A 18 82.128 0.449 8.425 1.00 0.00 C ATOM 0 HA PRO A 18 83.695 3.198 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.932 1.123 5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.755 1.073 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.223 -0.297 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.504 -0.886 7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.102 0.081 8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 18 82.579 0.085 9.348 1.00 0.00 H new ATOM 288 N LEU A 19 81.060 2.296 5.804 1.00 0.00 N ATOM 289 CA LEU A 19 80.182 2.780 4.699 1.00 0.00 C ATOM 290 C LEU A 19 79.490 4.086 5.098 1.00 0.00 C ATOM 291 O LEU A 19 78.795 4.696 4.311 1.00 0.00 O ATOM 292 CB LEU A 19 79.152 1.669 4.494 1.00 0.00 C ATOM 293 CG LEU A 19 79.261 1.127 3.068 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.795 -0.329 3.036 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.378 1.963 2.138 1.00 0.00 C ATOM 0 H LEU A 19 80.729 1.462 6.289 1.00 0.00 H new ATOM 0 HA LEU A 19 80.746 2.988 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.319 0.867 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.148 2.053 4.672 1.00 0.00 H new ATOM 0 HG LEU A 19 80.298 1.183 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.873 -0.714 2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 79.421 -0.926 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.758 -0.386 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.454 1.578 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.342 1.905 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.708 3.001 2.159 1.00 0.00 H new ATOM 307 N LEU A 20 79.676 4.520 6.314 1.00 0.00 N ATOM 308 CA LEU A 20 79.027 5.788 6.757 1.00 0.00 C ATOM 309 C LEU A 20 80.036 6.669 7.499 1.00 0.00 C ATOM 310 O LEU A 20 79.675 7.483 8.325 1.00 0.00 O ATOM 311 CB LEU A 20 77.903 5.352 7.696 1.00 0.00 C ATOM 312 CG LEU A 20 77.043 4.292 7.003 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.112 3.641 8.027 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.209 4.950 5.902 1.00 0.00 C ATOM 0 H LEU A 20 80.247 4.054 7.019 1.00 0.00 H new ATOM 0 HA LEU A 20 78.652 6.374 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.321 4.950 8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.290 6.211 7.971 1.00 0.00 H new ATOM 0 HG LEU A 20 77.689 3.532 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 75.500 2.886 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 76.705 3.171 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 20 75.467 4.401 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.597 4.195 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.563 5.711 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.872 5.414 5.171 1.00 0.00 H new ATOM 326 N ASP A 21 81.300 6.513 7.209 1.00 0.00 N ATOM 327 CA ASP A 21 82.330 7.344 7.898 1.00 0.00 C ATOM 328 C ASP A 21 83.736 6.912 7.469 1.00 0.00 C ATOM 329 O ASP A 21 84.613 6.720 8.289 1.00 0.00 O ATOM 330 CB ASP A 21 82.120 7.079 9.391 1.00 0.00 C ATOM 331 CG ASP A 21 82.019 8.411 10.137 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.046 9.047 10.315 1.00 0.00 O ATOM 333 OD2 ASP A 21 80.920 8.772 10.519 1.00 0.00 O ATOM 0 H ASP A 21 81.663 5.848 6.526 1.00 0.00 H new ATOM 0 HA ASP A 21 82.236 8.402 7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 21 81.212 6.495 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 21 82.948 6.490 9.787 1.00 0.00 H new ATOM 338 N PHE A 22 83.959 6.759 6.192 1.00 0.00 N ATOM 339 CA PHE A 22 85.310 6.343 5.716 1.00 0.00 C ATOM 340 C PHE A 22 85.349 6.321 4.185 1.00 0.00 C ATOM 341 O PHE A 22 86.306 6.751 3.573 1.00 0.00 O ATOM 342 CB PHE A 22 85.517 4.937 6.280 1.00 0.00 C ATOM 343 CG PHE A 22 86.405 5.011 7.500 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.591 5.752 7.460 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.040 4.337 8.672 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.412 5.821 8.591 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.862 4.406 9.804 1.00 0.00 C ATOM 348 CZ PHE A 22 88.047 5.148 9.763 1.00 0.00 C ATOM 0 H PHE A 22 83.265 6.904 5.458 1.00 0.00 H new ATOM 0 HA PHE A 22 86.091 7.030 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 22 84.556 4.493 6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 22 85.970 4.294 5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.873 6.271 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.125 3.764 8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.327 6.393 8.560 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.581 3.886 10.708 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.681 5.202 10.636 1.00 0.00 H new ATOM 358 N ASN A 23 84.314 5.827 3.561 1.00 0.00 N ATOM 359 CA ASN A 23 84.296 5.784 2.070 1.00 0.00 C ATOM 360 C ASN A 23 83.889 7.150 1.513 1.00 0.00 C ATOM 361 O ASN A 23 83.467 8.027 2.241 1.00 0.00 O ATOM 362 CB ASN A 23 83.253 4.725 1.713 1.00 0.00 C ATOM 363 CG ASN A 23 83.865 3.710 0.748 1.00 0.00 C ATOM 364 OD1 ASN A 23 84.966 3.897 0.268 1.00 0.00 O ATOM 365 ND2 ASN A 23 83.192 2.635 0.440 1.00 0.00 N ATOM 0 H ASN A 23 83.482 5.452 4.017 1.00 0.00 H new ATOM 0 HA ASN A 23 85.273 5.545 1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 23 82.907 4.221 2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 23 82.382 5.196 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 23 83.590 1.951 -0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 23 82.268 2.479 0.843 1.00 0.00 H new ATOM 372 N ASN A 24 84.013 7.341 0.227 1.00 0.00 N ATOM 373 CA ASN A 24 83.635 8.655 -0.371 1.00 0.00 C ATOM 374 C ASN A 24 84.146 9.800 0.509 1.00 0.00 C ATOM 375 O ASN A 24 83.378 10.539 1.092 1.00 0.00 O ATOM 376 CB ASN A 24 82.107 8.649 -0.412 1.00 0.00 C ATOM 377 CG ASN A 24 81.615 9.864 -1.199 1.00 0.00 C ATOM 378 OD1 ASN A 24 81.278 10.880 -0.623 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.561 9.803 -2.501 1.00 0.00 N ATOM 0 H ASN A 24 84.359 6.646 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 24 84.066 8.798 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.748 7.731 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.705 8.671 0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.236 10.608 -3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 24 81.844 8.950 -2.984 1.00 0.00 H new ATOM 386 N TYR A 25 85.438 9.946 0.610 1.00 0.00 N ATOM 387 CA TYR A 25 86.006 11.034 1.454 1.00 0.00 C ATOM 388 C TYR A 25 87.333 11.512 0.856 1.00 0.00 C ATOM 389 O TYR A 25 87.935 10.833 0.049 1.00 0.00 O ATOM 390 CB TYR A 25 86.223 10.380 2.820 1.00 0.00 C ATOM 391 CG TYR A 25 87.195 11.195 3.639 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.573 11.054 3.437 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.717 12.084 4.608 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.473 11.802 4.204 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.617 12.832 5.376 1.00 0.00 C ATOM 396 CZ TYR A 25 88.995 12.692 5.175 1.00 0.00 C ATOM 397 OH TYR A 25 89.883 13.428 5.933 1.00 0.00 O ATOM 0 H TYR A 25 86.127 9.357 0.143 1.00 0.00 H new ATOM 0 HA TYR A 25 85.358 11.908 1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.272 10.297 3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.605 9.367 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.942 10.368 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.654 12.193 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.536 11.693 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.248 13.518 6.124 1.00 0.00 H new ATOM 0 HH TYR A 25 90.782 13.047 5.845 1.00 0.00 H new ATOM 407 N GLY A 26 87.794 12.673 1.234 1.00 0.00 N ATOM 408 CA GLY A 26 89.080 13.169 0.670 1.00 0.00 C ATOM 409 C GLY A 26 89.090 12.948 -0.842 1.00 0.00 C ATOM 410 O GLY A 26 88.066 12.713 -1.454 1.00 0.00 O ATOM 0 H GLY A 26 87.340 13.295 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.204 14.228 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.918 12.646 1.131 1.00 0.00 H new ATOM 414 N CYS A 27 90.238 13.027 -1.449 1.00 0.00 N ATOM 415 CA CYS A 27 90.320 12.829 -2.926 1.00 0.00 C ATOM 416 C CYS A 27 90.632 11.369 -3.263 1.00 0.00 C ATOM 417 O CYS A 27 90.304 10.888 -4.329 1.00 0.00 O ATOM 418 CB CYS A 27 91.468 13.730 -3.379 1.00 0.00 C ATOM 419 SG CYS A 27 90.885 14.847 -4.676 1.00 0.00 S ATOM 0 H CYS A 27 91.127 13.220 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 27 89.379 13.071 -3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.848 14.304 -2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.294 13.124 -3.751 1.00 0.00 H new ATOM 424 N TYR A 28 91.277 10.663 -2.377 1.00 0.00 N ATOM 425 CA TYR A 28 91.619 9.242 -2.671 1.00 0.00 C ATOM 426 C TYR A 28 90.578 8.291 -2.067 1.00 0.00 C ATOM 427 O TYR A 28 90.023 7.455 -2.751 1.00 0.00 O ATOM 428 CB TYR A 28 92.988 9.032 -2.024 1.00 0.00 C ATOM 429 CG TYR A 28 93.998 9.935 -2.692 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.524 9.592 -3.944 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.410 11.114 -2.060 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.463 10.426 -4.561 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.349 11.949 -2.677 1.00 0.00 C ATOM 434 CZ TYR A 28 95.876 11.604 -3.929 1.00 0.00 C ATOM 435 OH TYR A 28 96.802 12.427 -4.536 1.00 0.00 O ATOM 0 H TYR A 28 91.581 11.006 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 28 91.632 9.035 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.937 9.251 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.293 7.990 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.205 8.684 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.003 11.380 -1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.869 10.160 -5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.667 12.858 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 28 96.735 13.329 -4.159 1.00 0.00 H new ATOM 445 N CYS A 29 90.312 8.406 -0.795 1.00 0.00 N ATOM 446 CA CYS A 29 89.307 7.499 -0.164 1.00 0.00 C ATOM 447 C CYS A 29 88.050 7.418 -1.032 1.00 0.00 C ATOM 448 O CYS A 29 87.254 8.336 -1.077 1.00 0.00 O ATOM 449 CB CYS A 29 88.985 8.133 1.190 1.00 0.00 C ATOM 450 SG CYS A 29 90.510 8.335 2.141 1.00 0.00 S ATOM 0 H CYS A 29 90.743 9.084 -0.167 1.00 0.00 H new ATOM 0 HA CYS A 29 89.684 6.482 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.504 9.100 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.282 7.506 1.739 1.00 0.00 H new ATOM 455 N GLY A 30 87.865 6.327 -1.723 1.00 0.00 N ATOM 456 CA GLY A 30 86.662 6.186 -2.589 1.00 0.00 C ATOM 457 C GLY A 30 87.089 5.713 -3.980 1.00 0.00 C ATOM 458 O GLY A 30 88.246 5.791 -4.342 1.00 0.00 O ATOM 0 H GLY A 30 88.497 5.526 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.965 5.473 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.139 7.140 -2.662 1.00 0.00 H new ATOM 506 N GLY A 35 94.394 14.017 -6.552 1.00 0.00 N ATOM 507 CA GLY A 35 94.971 15.339 -6.181 1.00 0.00 C ATOM 508 C GLY A 35 95.613 15.248 -4.796 1.00 0.00 C ATOM 509 O GLY A 35 95.454 14.275 -4.087 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.714 15.643 -6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.191 16.101 -6.182 1.00 0.00 H new ATOM 513 N THR A 36 96.339 16.260 -4.406 1.00 0.00 N ATOM 514 CA THR A 36 96.995 16.239 -3.066 1.00 0.00 C ATOM 515 C THR A 36 96.021 15.708 -2.009 1.00 0.00 C ATOM 516 O THR A 36 94.826 15.902 -2.112 1.00 0.00 O ATOM 517 CB THR A 36 97.358 17.700 -2.785 1.00 0.00 C ATOM 518 OG1 THR A 36 98.415 18.094 -3.649 1.00 0.00 O ATOM 519 CG2 THR A 36 97.806 17.854 -1.330 1.00 0.00 C ATOM 0 H THR A 36 96.507 17.102 -4.957 1.00 0.00 H new ATOM 0 HA THR A 36 97.870 15.590 -3.040 1.00 0.00 H new ATOM 0 HB THR A 36 96.485 18.329 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.649 19.029 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.063 18.896 -1.137 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.997 17.551 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.678 17.226 -1.149 1.00 0.00 H new ATOM 527 N PRO A 37 96.570 15.053 -1.023 1.00 0.00 N ATOM 528 CA PRO A 37 95.744 14.485 0.072 1.00 0.00 C ATOM 529 C PRO A 37 95.190 15.600 0.964 1.00 0.00 C ATOM 530 O PRO A 37 95.663 16.719 0.942 1.00 0.00 O ATOM 531 CB PRO A 37 96.725 13.604 0.841 1.00 0.00 C ATOM 532 CG PRO A 37 98.074 14.179 0.547 1.00 0.00 C ATOM 533 CD PRO A 37 98.000 14.782 -0.832 1.00 0.00 C ATOM 0 HA PRO A 37 94.877 13.932 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.514 13.619 1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.660 12.565 0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.341 14.935 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.841 13.406 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.592 15.694 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.381 14.096 -1.589 1.00 0.00 H new ATOM 541 N VAL A 38 94.187 15.304 1.746 1.00 0.00 N ATOM 542 CA VAL A 38 93.600 16.348 2.636 1.00 0.00 C ATOM 543 C VAL A 38 93.961 16.066 4.097 1.00 0.00 C ATOM 544 O VAL A 38 94.063 16.967 4.905 1.00 0.00 O ATOM 545 CB VAL A 38 92.088 16.242 2.429 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.770 16.286 0.933 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.587 14.922 3.019 1.00 0.00 C ATOM 0 H VAL A 38 93.749 14.385 1.807 1.00 0.00 H new ATOM 0 HA VAL A 38 93.976 17.344 2.403 1.00 0.00 H new ATOM 0 HB VAL A 38 91.594 17.076 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.692 16.210 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.128 17.226 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.263 15.453 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.510 14.844 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.082 14.089 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.812 14.891 4.085 1.00 0.00 H new ATOM 557 N ASP A 39 94.153 14.823 4.444 1.00 0.00 N ATOM 558 CA ASP A 39 94.506 14.489 5.855 1.00 0.00 C ATOM 559 C ASP A 39 95.230 13.142 5.913 1.00 0.00 C ATOM 560 O ASP A 39 95.161 12.350 4.994 1.00 0.00 O ATOM 561 CB ASP A 39 93.168 14.415 6.591 1.00 0.00 C ATOM 562 CG ASP A 39 93.126 15.486 7.682 1.00 0.00 C ATOM 563 OD1 ASP A 39 94.129 15.662 8.352 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.088 16.112 7.830 1.00 0.00 O ATOM 0 H ASP A 39 94.081 14.025 3.813 1.00 0.00 H new ATOM 0 HA ASP A 39 95.174 15.226 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.347 14.563 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.037 13.427 7.032 1.00 0.00 H new ATOM 569 N ASP A 40 95.924 12.875 6.985 1.00 0.00 N ATOM 570 CA ASP A 40 96.650 11.577 7.096 1.00 0.00 C ATOM 571 C ASP A 40 95.761 10.428 6.609 1.00 0.00 C ATOM 572 O ASP A 40 96.217 9.524 5.936 1.00 0.00 O ATOM 573 CB ASP A 40 96.966 11.422 8.583 1.00 0.00 C ATOM 574 CG ASP A 40 98.477 11.535 8.797 1.00 0.00 C ATOM 575 OD1 ASP A 40 99.206 10.841 8.107 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.880 12.312 9.646 1.00 0.00 O ATOM 0 H ASP A 40 96.020 13.497 7.787 1.00 0.00 H new ATOM 0 HA ASP A 40 97.553 11.557 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.448 12.190 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.608 10.458 8.943 1.00 0.00 H new ATOM 581 N LEU A 41 94.495 10.454 6.935 1.00 0.00 N ATOM 582 CA LEU A 41 93.593 9.359 6.477 1.00 0.00 C ATOM 583 C LEU A 41 93.552 9.327 4.949 1.00 0.00 C ATOM 584 O LEU A 41 93.747 8.297 4.335 1.00 0.00 O ATOM 585 CB LEU A 41 92.214 9.705 7.040 1.00 0.00 C ATOM 586 CG LEU A 41 91.274 8.513 6.846 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.560 7.459 7.912 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.823 8.974 6.976 1.00 0.00 C ATOM 0 H LEU A 41 94.050 11.181 7.495 1.00 0.00 H new ATOM 0 HA LEU A 41 93.930 8.379 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.292 9.952 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.813 10.585 6.536 1.00 0.00 H new ATOM 0 HG LEU A 41 91.435 8.089 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.890 6.610 7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.593 7.124 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.401 7.889 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.157 8.122 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.664 9.401 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.611 9.728 6.217 1.00 0.00 H new ATOM 600 N ASP A 42 93.310 10.450 4.331 1.00 0.00 N ATOM 601 CA ASP A 42 93.271 10.481 2.842 1.00 0.00 C ATOM 602 C ASP A 42 94.612 10.003 2.289 1.00 0.00 C ATOM 603 O ASP A 42 94.675 9.272 1.321 1.00 0.00 O ATOM 604 CB ASP A 42 93.025 11.945 2.479 1.00 0.00 C ATOM 605 CG ASP A 42 92.771 12.065 0.975 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.383 11.074 0.379 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.966 13.147 0.446 1.00 0.00 O ATOM 0 H ASP A 42 93.138 11.344 4.791 1.00 0.00 H new ATOM 0 HA ASP A 42 92.499 9.833 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.169 12.329 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.886 12.550 2.762 1.00 0.00 H new ATOM 612 N ARG A 43 95.687 10.399 2.913 1.00 0.00 N ATOM 613 CA ARG A 43 97.027 9.961 2.443 1.00 0.00 C ATOM 614 C ARG A 43 97.046 8.441 2.315 1.00 0.00 C ATOM 615 O ARG A 43 97.680 7.884 1.441 1.00 0.00 O ATOM 616 CB ARG A 43 97.986 10.413 3.543 1.00 0.00 C ATOM 617 CG ARG A 43 98.437 11.844 3.264 1.00 0.00 C ATOM 618 CD ARG A 43 99.895 11.834 2.813 1.00 0.00 C ATOM 619 NE ARG A 43 99.979 10.758 1.799 1.00 0.00 N ATOM 620 CZ ARG A 43 101.121 10.474 1.237 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.894 11.434 0.810 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.491 9.228 1.102 1.00 0.00 N ATOM 0 H ARG A 43 95.693 11.009 3.731 1.00 0.00 H new ATOM 0 HA ARG A 43 97.294 10.375 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.495 10.357 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.849 9.749 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.809 12.292 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.326 12.454 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.183 12.797 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.565 11.640 3.650 1.00 0.00 H new ATOM 0 HE ARG A 43 99.141 10.237 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.605 12.407 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.787 11.212 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.887 8.477 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.384 9.006 0.662 1.00 0.00 H new ATOM 636 N CYS A 44 96.349 7.772 3.188 1.00 0.00 N ATOM 637 CA CYS A 44 96.313 6.291 3.137 1.00 0.00 C ATOM 638 C CYS A 44 95.597 5.829 1.867 1.00 0.00 C ATOM 639 O CYS A 44 96.068 4.968 1.153 1.00 0.00 O ATOM 640 CB CYS A 44 95.527 5.869 4.378 1.00 0.00 C ATOM 641 SG CYS A 44 96.174 6.733 5.832 1.00 0.00 S ATOM 0 H CYS A 44 95.800 8.192 3.938 1.00 0.00 H new ATOM 0 HA CYS A 44 97.311 5.853 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.470 6.099 4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.603 4.791 4.520 1.00 0.00 H new ATOM 646 N CYS A 45 94.459 6.402 1.581 1.00 0.00 N ATOM 647 CA CYS A 45 93.712 6.004 0.357 1.00 0.00 C ATOM 648 C CYS A 45 94.579 6.253 -0.878 1.00 0.00 C ATOM 649 O CYS A 45 94.616 5.454 -1.793 1.00 0.00 O ATOM 650 CB CYS A 45 92.472 6.896 0.343 1.00 0.00 C ATOM 651 SG CYS A 45 91.509 6.603 1.847 1.00 0.00 S ATOM 0 H CYS A 45 94.016 7.128 2.143 1.00 0.00 H new ATOM 0 HA CYS A 45 93.444 4.947 0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.764 7.944 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.866 6.683 -0.538 1.00 0.00 H new ATOM 656 N GLN A 46 95.295 7.345 -0.904 1.00 0.00 N ATOM 657 CA GLN A 46 96.174 7.620 -2.074 1.00 0.00 C ATOM 658 C GLN A 46 97.135 6.450 -2.250 1.00 0.00 C ATOM 659 O GLN A 46 97.312 5.926 -3.331 1.00 0.00 O ATOM 660 CB GLN A 46 96.938 8.896 -1.715 1.00 0.00 C ATOM 661 CG GLN A 46 98.094 9.092 -2.700 1.00 0.00 C ATOM 662 CD GLN A 46 98.687 10.486 -2.527 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.218 11.267 -1.724 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.709 10.832 -3.255 1.00 0.00 N ATOM 0 H GLN A 46 95.309 8.053 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 46 95.619 7.742 -3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.268 9.755 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.321 8.829 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.861 8.337 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.739 8.962 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 46 100.101 10.174 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 46 100.118 11.761 -3.152 1.00 0.00 H new ATOM 673 N THR A 47 97.743 6.027 -1.177 1.00 0.00 N ATOM 674 CA THR A 47 98.682 4.880 -1.252 1.00 0.00 C ATOM 675 C THR A 47 97.953 3.658 -1.809 1.00 0.00 C ATOM 676 O THR A 47 98.536 2.815 -2.461 1.00 0.00 O ATOM 677 CB THR A 47 99.110 4.629 0.194 1.00 0.00 C ATOM 678 OG1 THR A 47 99.768 5.783 0.698 1.00 0.00 O ATOM 679 CG2 THR A 47 100.057 3.429 0.248 1.00 0.00 C ATOM 0 H THR A 47 97.627 6.431 -0.247 1.00 0.00 H new ATOM 0 HA THR A 47 99.535 5.076 -1.902 1.00 0.00 H new ATOM 0 HB THR A 47 98.231 4.419 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 47 99.104 6.409 1.054 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.361 3.252 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.547 2.546 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.938 3.633 -0.360 1.00 0.00 H new ATOM 687 N HIS A 48 96.675 3.563 -1.562 1.00 0.00 N ATOM 688 CA HIS A 48 95.901 2.403 -2.080 1.00 0.00 C ATOM 689 C HIS A 48 95.930 2.420 -3.606 1.00 0.00 C ATOM 690 O HIS A 48 96.232 1.432 -4.245 1.00 0.00 O ATOM 691 CB HIS A 48 94.477 2.610 -1.565 1.00 0.00 C ATOM 692 CG HIS A 48 93.700 1.332 -1.720 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.316 1.312 -1.801 1.00 0.00 N ATOM 694 CD2 HIS A 48 94.099 0.021 -1.809 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.936 0.028 -1.932 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.984 -0.800 -1.942 1.00 0.00 N ATOM 0 H HIS A 48 96.134 4.240 -1.023 1.00 0.00 H new ATOM 0 HA HIS A 48 96.307 1.445 -1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.497 2.912 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.991 3.413 -2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 48 95.123 -0.321 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.909 -0.294 -2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.970 -1.816 -2.029 1.00 0.00 H new ATOM 704 N ASP A 49 95.631 3.545 -4.192 1.00 0.00 N ATOM 705 CA ASP A 49 95.655 3.639 -5.671 1.00 0.00 C ATOM 706 C ASP A 49 97.064 3.320 -6.170 1.00 0.00 C ATOM 707 O ASP A 49 97.251 2.592 -7.125 1.00 0.00 O ATOM 708 CB ASP A 49 95.282 5.088 -5.982 1.00 0.00 C ATOM 709 CG ASP A 49 93.759 5.217 -6.046 1.00 0.00 C ATOM 710 OD1 ASP A 49 93.097 4.193 -6.071 1.00 0.00 O ATOM 711 OD2 ASP A 49 93.280 6.340 -6.066 1.00 0.00 O ATOM 0 H ASP A 49 95.371 4.403 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 49 94.972 2.941 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.682 5.751 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.724 5.394 -6.930 1.00 0.00 H new ATOM 716 N ASN A 50 98.057 3.855 -5.515 1.00 0.00 N ATOM 717 CA ASN A 50 99.458 3.588 -5.923 1.00 0.00 C ATOM 718 C ASN A 50 99.770 2.098 -5.761 1.00 0.00 C ATOM 719 O ASN A 50 100.624 1.553 -6.432 1.00 0.00 O ATOM 720 CB ASN A 50 100.307 4.429 -4.969 1.00 0.00 C ATOM 721 CG ASN A 50 100.510 5.826 -5.558 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.338 6.028 -6.744 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.868 6.807 -4.775 1.00 0.00 N ATOM 0 H ASN A 50 97.953 4.470 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 50 99.650 3.840 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.818 4.501 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 50 101.272 3.949 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 50 101.003 7.742 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 50 101.013 6.638 -3.779 1.00 0.00 H new ATOM 730 N CYS A 51 99.075 1.436 -4.874 1.00 0.00 N ATOM 731 CA CYS A 51 99.321 -0.019 -4.666 1.00 0.00 C ATOM 732 C CYS A 51 98.681 -0.822 -5.802 1.00 0.00 C ATOM 733 O CYS A 51 99.263 -1.753 -6.321 1.00 0.00 O ATOM 734 CB CYS A 51 98.651 -0.346 -3.332 1.00 0.00 C ATOM 735 SG CYS A 51 99.352 -1.875 -2.661 1.00 0.00 S ATOM 0 H CYS A 51 98.348 1.841 -4.285 1.00 0.00 H new ATOM 0 HA CYS A 51 100.383 -0.266 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.799 0.473 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.576 -0.457 -3.471 1.00 0.00 H new ATOM 740 N TYR A 52 97.488 -0.461 -6.193 1.00 0.00 N ATOM 741 CA TYR A 52 96.812 -1.196 -7.300 1.00 0.00 C ATOM 742 C TYR A 52 97.619 -1.053 -8.593 1.00 0.00 C ATOM 743 O TYR A 52 97.554 -1.889 -9.472 1.00 0.00 O ATOM 744 CB TYR A 52 95.443 -0.532 -7.441 1.00 0.00 C ATOM 745 CG TYR A 52 94.459 -1.213 -6.520 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.811 -1.471 -5.190 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.195 -1.585 -6.994 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.900 -2.103 -4.334 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.284 -2.216 -6.138 1.00 0.00 C ATOM 750 CZ TYR A 52 92.638 -2.475 -4.809 1.00 0.00 C ATOM 751 OH TYR A 52 91.740 -3.098 -3.965 1.00 0.00 O ATOM 0 H TYR A 52 96.953 0.310 -5.794 1.00 0.00 H new ATOM 0 HA TYR A 52 96.723 -2.263 -7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.514 0.528 -7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.099 -0.599 -8.473 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.785 -1.183 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.923 -1.385 -8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.172 -2.303 -3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.309 -2.503 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 52 92.228 -3.568 -3.257 1.00 0.00 H new ATOM 761 N LYS A 53 98.395 -0.009 -8.709 1.00 0.00 N ATOM 762 CA LYS A 53 99.219 0.168 -9.941 1.00 0.00 C ATOM 763 C LYS A 53 100.364 -0.822 -9.883 1.00 0.00 C ATOM 764 O LYS A 53 100.584 -1.610 -10.781 1.00 0.00 O ATOM 765 CB LYS A 53 99.775 1.596 -9.890 1.00 0.00 C ATOM 766 CG LYS A 53 98.730 2.552 -9.328 1.00 0.00 C ATOM 767 CD LYS A 53 98.368 3.594 -10.387 1.00 0.00 C ATOM 768 CE LYS A 53 98.014 4.915 -9.703 1.00 0.00 C ATOM 769 NZ LYS A 53 96.939 5.507 -10.547 1.00 0.00 N ATOM 0 H LYS A 53 98.494 0.726 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 53 98.643 0.006 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.672 1.622 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 53 100.069 1.915 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.840 1.999 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 53 99.115 3.044 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 53 99.205 3.739 -11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.526 3.244 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 53 97.670 4.751 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 53 98.880 5.575 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 96.642 6.418 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 97.298 5.657 -11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.126 4.860 -10.578 1.00 0.00 H new ATOM 783 N GLN A 54 101.085 -0.787 -8.804 1.00 0.00 N ATOM 784 CA GLN A 54 102.220 -1.727 -8.637 1.00 0.00 C ATOM 785 C GLN A 54 101.731 -3.147 -8.908 1.00 0.00 C ATOM 786 O GLN A 54 102.429 -3.963 -9.477 1.00 0.00 O ATOM 787 CB GLN A 54 102.656 -1.577 -7.179 1.00 0.00 C ATOM 788 CG GLN A 54 103.272 -0.192 -6.970 1.00 0.00 C ATOM 789 CD GLN A 54 104.486 -0.030 -7.885 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.434 -0.784 -7.797 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.496 0.930 -8.769 1.00 0.00 N ATOM 0 H GLN A 54 100.936 -0.144 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 54 103.044 -1.522 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.800 -1.710 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.380 -2.351 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 54 102.535 0.582 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.569 -0.068 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 54 103.700 1.563 -8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.300 1.047 -9.386 1.00 0.00 H new ATOM 800 N ALA A 55 100.525 -3.440 -8.510 1.00 0.00 N ATOM 801 CA ALA A 55 99.967 -4.800 -8.747 1.00 0.00 C ATOM 802 C ALA A 55 99.863 -5.058 -10.250 1.00 0.00 C ATOM 803 O ALA A 55 100.077 -6.157 -10.719 1.00 0.00 O ATOM 804 CB ALA A 55 98.579 -4.779 -8.104 1.00 0.00 C ATOM 0 H ALA A 55 99.899 -2.794 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 55 100.592 -5.589 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.102 -5.750 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.674 -4.564 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 55 97.971 -4.008 -8.577 1.00 0.00 H new ATOM 810 N LYS A 56 99.546 -4.046 -11.009 1.00 0.00 N ATOM 811 CA LYS A 56 99.440 -4.224 -12.484 1.00 0.00 C ATOM 812 C LYS A 56 100.829 -4.479 -13.073 1.00 0.00 C ATOM 813 O LYS A 56 101.060 -5.467 -13.741 1.00 0.00 O ATOM 814 CB LYS A 56 98.873 -2.901 -13.004 1.00 0.00 C ATOM 815 CG LYS A 56 97.353 -2.892 -12.830 1.00 0.00 C ATOM 816 CD LYS A 56 96.732 -1.927 -13.843 1.00 0.00 C ATOM 817 CE LYS A 56 97.462 -0.584 -13.783 1.00 0.00 C ATOM 818 NZ LYS A 56 96.499 0.400 -14.353 1.00 0.00 N ATOM 0 H LYS A 56 99.356 -3.103 -10.671 1.00 0.00 H new ATOM 0 HA LYS A 56 98.810 -5.070 -12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 56 99.316 -2.065 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 56 99.130 -2.772 -14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.953 -3.896 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 56 97.094 -2.589 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.799 -2.345 -14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.673 -1.787 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 56 97.731 -0.326 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 56 98.387 -0.611 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 96.927 1.348 -14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 96.266 0.132 -15.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 95.631 0.408 -13.780 1.00 0.00 H new ATOM 832 N LYS A 57 101.755 -3.593 -12.825 1.00 0.00 N ATOM 833 CA LYS A 57 103.126 -3.779 -13.360 1.00 0.00 C ATOM 834 C LYS A 57 103.684 -5.126 -12.905 1.00 0.00 C ATOM 835 O LYS A 57 104.454 -5.759 -13.600 1.00 0.00 O ATOM 836 CB LYS A 57 103.942 -2.629 -12.770 1.00 0.00 C ATOM 837 CG LYS A 57 104.125 -1.538 -13.828 1.00 0.00 C ATOM 838 CD LYS A 57 102.877 -0.655 -13.870 1.00 0.00 C ATOM 839 CE LYS A 57 103.227 0.748 -13.368 1.00 0.00 C ATOM 840 NZ LYS A 57 102.808 0.760 -11.940 1.00 0.00 N ATOM 0 H LYS A 57 101.617 -2.747 -12.273 1.00 0.00 H new ATOM 0 HA LYS A 57 103.152 -3.775 -14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.436 -2.221 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.914 -2.993 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 105.003 -0.935 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.298 -1.989 -14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.490 -0.603 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.091 -1.088 -13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 104.294 0.949 -13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 57 102.703 1.514 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 103.016 1.691 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 101.787 0.573 -11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 103.328 0.025 -11.419 1.00 0.00 H new ATOM 854 N LEU A 58 103.296 -5.572 -11.739 1.00 0.00 N ATOM 855 CA LEU A 58 103.799 -6.879 -11.235 1.00 0.00 C ATOM 856 C LEU A 58 103.796 -7.911 -12.366 1.00 0.00 C ATOM 857 O LEU A 58 102.766 -8.230 -12.925 1.00 0.00 O ATOM 858 CB LEU A 58 102.817 -7.283 -10.134 1.00 0.00 C ATOM 859 CG LEU A 58 103.584 -7.539 -8.835 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.147 -6.220 -8.302 1.00 0.00 C ATOM 861 CD2 LEU A 58 102.638 -8.143 -7.795 1.00 0.00 C ATOM 0 H LEU A 58 102.652 -5.086 -11.115 1.00 0.00 H new ATOM 0 HA LEU A 58 104.822 -6.816 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.079 -6.495 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.271 -8.179 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 58 104.403 -8.231 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.693 -6.405 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.821 -5.787 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.328 -5.527 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.184 -8.326 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.819 -7.450 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 58 102.237 -9.084 -8.171 1.00 0.00 H new ATOM 873 N ASP A 59 104.944 -8.430 -12.712 1.00 0.00 N ATOM 874 CA ASP A 59 105.006 -9.436 -13.811 1.00 0.00 C ATOM 875 C ASP A 59 103.850 -10.432 -13.682 1.00 0.00 C ATOM 876 O ASP A 59 103.086 -10.634 -14.604 1.00 0.00 O ATOM 877 CB ASP A 59 106.349 -10.146 -13.624 1.00 0.00 C ATOM 878 CG ASP A 59 107.483 -9.224 -14.076 1.00 0.00 C ATOM 879 OD1 ASP A 59 107.710 -8.226 -13.413 1.00 0.00 O ATOM 880 OD2 ASP A 59 108.108 -9.535 -15.077 1.00 0.00 O ATOM 0 H ASP A 59 105.840 -8.201 -12.282 1.00 0.00 H new ATOM 0 HA ASP A 59 104.921 -8.977 -14.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.485 -10.420 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.367 -11.071 -14.201 1.00 0.00 H new ATOM 885 N SER A 60 103.722 -11.058 -12.545 1.00 0.00 N ATOM 886 CA SER A 60 102.624 -12.045 -12.350 1.00 0.00 C ATOM 887 C SER A 60 101.277 -11.451 -12.778 1.00 0.00 C ATOM 888 O SER A 60 100.584 -11.998 -13.613 1.00 0.00 O ATOM 889 CB SER A 60 102.624 -12.339 -10.850 1.00 0.00 C ATOM 890 OG SER A 60 103.460 -13.459 -10.591 1.00 0.00 O ATOM 0 H SER A 60 104.334 -10.928 -11.739 1.00 0.00 H new ATOM 0 HA SER A 60 102.772 -12.944 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 60 102.980 -11.470 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.609 -12.541 -10.507 1.00 0.00 H new ATOM 0 HG SER A 60 103.464 -13.649 -9.630 1.00 0.00 H new ATOM 896 N CYS A 61 100.896 -10.342 -12.204 1.00 0.00 N ATOM 897 CA CYS A 61 99.590 -9.718 -12.568 1.00 0.00 C ATOM 898 C CYS A 61 99.588 -9.290 -14.037 1.00 0.00 C ATOM 899 O CYS A 61 98.593 -9.403 -14.725 1.00 0.00 O ATOM 900 CB CYS A 61 99.471 -8.497 -11.657 1.00 0.00 C ATOM 901 SG CYS A 61 98.780 -9.001 -10.062 1.00 0.00 S ATOM 0 H CYS A 61 101.433 -9.840 -11.497 1.00 0.00 H new ATOM 0 HA CYS A 61 98.757 -10.410 -12.442 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.450 -8.040 -11.513 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.833 -7.745 -12.121 1.00 0.00 H new ATOM 906 N LYS A 62 100.691 -8.793 -14.522 1.00 0.00 N ATOM 907 CA LYS A 62 100.747 -8.352 -15.946 1.00 0.00 C ATOM 908 C LYS A 62 100.552 -9.547 -16.884 1.00 0.00 C ATOM 909 O LYS A 62 100.331 -9.387 -18.068 1.00 0.00 O ATOM 910 CB LYS A 62 102.144 -7.757 -16.119 1.00 0.00 C ATOM 911 CG LYS A 62 102.049 -6.447 -16.903 1.00 0.00 C ATOM 912 CD LYS A 62 103.253 -6.327 -17.839 1.00 0.00 C ATOM 913 CE LYS A 62 103.799 -4.898 -17.790 1.00 0.00 C ATOM 914 NZ LYS A 62 104.519 -4.807 -16.490 1.00 0.00 N ATOM 0 H LYS A 62 101.556 -8.673 -13.996 1.00 0.00 H new ATOM 0 HA LYS A 62 99.963 -7.634 -16.186 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.597 -7.577 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.788 -8.462 -16.645 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.123 -6.421 -17.478 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.022 -5.601 -16.217 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.028 -7.034 -17.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 102.961 -6.581 -18.858 1.00 0.00 H new ATOM 0 HE2 LYS A 62 104.469 -4.702 -18.627 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.994 -4.165 -17.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 104.522 -3.820 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.040 -5.403 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 105.499 -5.134 -16.612 1.00 0.00 H new ATOM 928 N VAL A 63 100.631 -10.743 -16.366 1.00 0.00 N ATOM 929 CA VAL A 63 100.450 -11.943 -17.235 1.00 0.00 C ATOM 930 C VAL A 63 99.427 -12.900 -16.616 1.00 0.00 C ATOM 931 O VAL A 63 99.634 -14.097 -16.565 1.00 0.00 O ATOM 932 CB VAL A 63 101.831 -12.599 -17.297 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.184 -13.186 -15.930 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.816 -13.718 -18.341 1.00 0.00 C ATOM 0 H VAL A 63 100.812 -10.942 -15.382 1.00 0.00 H new ATOM 0 HA VAL A 63 100.077 -11.682 -18.225 1.00 0.00 H new ATOM 0 HB VAL A 63 102.574 -11.851 -17.572 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.168 -13.652 -15.977 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.195 -12.391 -15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.441 -13.934 -15.652 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.799 -14.186 -18.386 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.071 -14.464 -18.064 1.00 0.00 H new ATOM 0 HG23 VAL A 63 101.567 -13.302 -19.317 1.00 0.00 H new ATOM 1019 N TYR A 69 91.078 -5.870 -10.325 1.00 0.00 N ATOM 1020 CA TYR A 69 90.031 -5.023 -9.685 1.00 0.00 C ATOM 1021 C TYR A 69 88.822 -5.875 -9.283 1.00 0.00 C ATOM 1022 O TYR A 69 87.742 -5.367 -9.063 1.00 0.00 O ATOM 1023 CB TYR A 69 89.634 -4.008 -10.758 1.00 0.00 C ATOM 1024 CG TYR A 69 89.458 -2.634 -10.122 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.340 -2.372 -9.321 1.00 0.00 C ATOM 1026 CD2 TYR A 69 90.414 -1.635 -10.339 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.177 -1.109 -8.737 1.00 0.00 C ATOM 1028 CE2 TYR A 69 90.252 -0.373 -9.755 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.135 -0.110 -8.955 1.00 0.00 C ATOM 1030 OH TYR A 69 88.975 1.135 -8.378 1.00 0.00 O ATOM 0 HA TYR A 69 90.393 -4.542 -8.777 1.00 0.00 H new ATOM 0 HB2 TYR A 69 90.399 -3.966 -11.534 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.707 -4.318 -11.241 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.603 -3.144 -9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 69 91.276 -1.838 -10.957 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.314 -0.906 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 69 90.990 0.398 -9.922 1.00 0.00 H new ATOM 0 HH TYR A 69 89.728 1.711 -8.628 1.00 0.00 H new ATOM 1040 N THR A 70 88.998 -7.165 -9.178 1.00 0.00 N ATOM 1041 CA THR A 70 87.863 -8.042 -8.785 1.00 0.00 C ATOM 1042 C THR A 70 88.292 -9.511 -8.809 1.00 0.00 C ATOM 1043 O THR A 70 87.615 -10.356 -9.360 1.00 0.00 O ATOM 1044 CB THR A 70 86.771 -7.786 -9.827 1.00 0.00 C ATOM 1045 OG1 THR A 70 85.741 -8.754 -9.676 1.00 0.00 O ATOM 1046 CG2 THR A 70 87.367 -7.889 -11.232 1.00 0.00 C ATOM 0 H THR A 70 89.880 -7.647 -9.348 1.00 0.00 H new ATOM 0 HA THR A 70 87.516 -7.829 -7.774 1.00 0.00 H new ATOM 0 HB THR A 70 86.358 -6.787 -9.683 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.104 -9.648 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 70 86.588 -7.706 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.158 -7.148 -11.347 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.781 -8.887 -11.379 1.00 0.00 H new ATOM 1054 N ASN A 71 89.408 -9.824 -8.210 1.00 0.00 N ATOM 1055 CA ASN A 71 89.871 -11.241 -8.197 1.00 0.00 C ATOM 1056 C ASN A 71 89.398 -11.933 -6.916 1.00 0.00 C ATOM 1057 O ASN A 71 89.463 -13.138 -6.790 1.00 0.00 O ATOM 1058 CB ASN A 71 91.397 -11.164 -8.236 1.00 0.00 C ATOM 1059 CG ASN A 71 91.978 -12.578 -8.185 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.510 -13.012 -7.076 1.00 0.00 O flip ATOM 1061 ND2 ASN A 71 91.946 -13.296 -9.165 1.00 0.00 N flip ATOM 0 H ASN A 71 90.018 -9.162 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 71 89.475 -11.814 -9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 71 91.724 -10.657 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.764 -10.577 -7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 71 91.530 -12.957 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 71 92.335 -14.238 -9.120 1.00 0.00 H new ATOM 1068 N ASN A 72 88.920 -11.173 -5.968 1.00 0.00 N ATOM 1069 CA ASN A 72 88.436 -11.778 -4.694 1.00 0.00 C ATOM 1070 C ASN A 72 89.553 -12.585 -4.026 1.00 0.00 C ATOM 1071 O ASN A 72 89.853 -13.695 -4.419 1.00 0.00 O ATOM 1072 CB ASN A 72 87.282 -12.695 -5.103 1.00 0.00 C ATOM 1073 CG ASN A 72 86.711 -13.384 -3.863 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.285 -12.658 -2.866 1.00 0.00 O flip ATOM 1075 ND2 ASN A 72 86.651 -14.596 -3.801 1.00 0.00 N flip ATOM 0 H ASN A 72 88.844 -10.157 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 72 88.122 -11.022 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 86.504 -12.117 -5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.632 -13.440 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.984 -15.164 -4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 72 86.268 -15.046 -2.970 1.00 0.00 H new ATOM 1082 N TYR A 73 90.166 -12.035 -3.013 1.00 0.00 N ATOM 1083 CA TYR A 73 91.259 -12.768 -2.310 1.00 0.00 C ATOM 1084 C TYR A 73 90.756 -13.283 -0.958 1.00 0.00 C ATOM 1085 O TYR A 73 89.778 -12.798 -0.425 1.00 0.00 O ATOM 1086 CB TYR A 73 92.370 -11.734 -2.117 1.00 0.00 C ATOM 1087 CG TYR A 73 91.794 -10.481 -1.504 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.324 -10.500 -0.186 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.730 -9.300 -2.254 1.00 0.00 C ATOM 1090 CE1 TYR A 73 90.790 -9.338 0.384 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.196 -8.138 -1.684 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.727 -8.157 -0.365 1.00 0.00 C ATOM 1093 OH TYR A 73 90.201 -7.012 0.198 1.00 0.00 O ATOM 0 H TYR A 73 89.957 -11.108 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 73 91.608 -13.635 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.151 -12.140 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 73 92.835 -11.502 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.373 -11.411 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.092 -9.286 -3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.427 -9.353 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.146 -7.227 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 73 90.443 -6.237 -0.350 1.00 0.00 H new ATOM 1103 N SER A 74 91.410 -14.267 -0.403 1.00 0.00 N ATOM 1104 CA SER A 74 90.957 -14.812 0.910 1.00 0.00 C ATOM 1105 C SER A 74 91.708 -14.135 2.060 1.00 0.00 C ATOM 1106 O SER A 74 92.910 -13.966 2.016 1.00 0.00 O ATOM 1107 CB SER A 74 91.291 -16.303 0.854 1.00 0.00 C ATOM 1108 OG SER A 74 90.233 -16.997 0.207 1.00 0.00 O ATOM 0 H SER A 74 92.235 -14.716 -0.800 1.00 0.00 H new ATOM 0 HA SER A 74 89.895 -14.636 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.226 -16.458 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.435 -16.693 1.861 1.00 0.00 H new ATOM 0 HG SER A 74 90.445 -17.953 0.168 1.00 0.00 H new ATOM 1114 N TYR A 75 91.006 -13.749 3.092 1.00 0.00 N ATOM 1115 CA TYR A 75 91.676 -13.086 4.247 1.00 0.00 C ATOM 1116 C TYR A 75 90.907 -13.377 5.541 1.00 0.00 C ATOM 1117 O TYR A 75 89.736 -13.700 5.521 1.00 0.00 O ATOM 1118 CB TYR A 75 91.648 -11.589 3.922 1.00 0.00 C ATOM 1119 CG TYR A 75 90.253 -11.028 4.179 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.233 -11.225 3.241 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.992 -10.313 5.356 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.953 -10.710 3.479 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.712 -9.799 5.594 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.692 -9.997 4.655 1.00 0.00 C ATOM 1125 OH TYR A 75 86.429 -9.490 4.890 1.00 0.00 O ATOM 0 H TYR A 75 89.997 -13.865 3.184 1.00 0.00 H new ATOM 0 HA TYR A 75 92.694 -13.446 4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.380 -11.061 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.928 -11.429 2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.433 -11.775 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.779 -10.159 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.167 -10.863 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.511 -9.250 6.502 1.00 0.00 H new ATOM 0 HH TYR A 75 86.419 -9.023 5.752 1.00 0.00 H new ATOM 1135 N SER A 76 91.557 -13.260 6.668 1.00 0.00 N ATOM 1136 CA SER A 76 90.865 -13.524 7.961 1.00 0.00 C ATOM 1137 C SER A 76 90.990 -12.304 8.873 1.00 0.00 C ATOM 1138 O SER A 76 91.767 -11.407 8.618 1.00 0.00 O ATOM 1139 CB SER A 76 91.594 -14.724 8.566 1.00 0.00 C ATOM 1140 OG SER A 76 90.656 -15.756 8.837 1.00 0.00 O ATOM 0 H SER A 76 92.538 -12.993 6.748 1.00 0.00 H new ATOM 0 HA SER A 76 89.801 -13.722 7.831 1.00 0.00 H new ATOM 0 HB2 SER A 76 92.359 -15.084 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 76 92.103 -14.430 9.484 1.00 0.00 H new ATOM 0 HG SER A 76 91.121 -16.527 9.223 1.00 0.00 H new ATOM 1146 N CYS A 77 90.235 -12.258 9.935 1.00 0.00 N ATOM 1147 CA CYS A 77 90.328 -11.089 10.854 1.00 0.00 C ATOM 1148 C CYS A 77 90.583 -11.560 12.281 1.00 0.00 C ATOM 1149 O CYS A 77 90.416 -12.716 12.611 1.00 0.00 O ATOM 1150 CB CYS A 77 88.978 -10.386 10.758 1.00 0.00 C ATOM 1151 SG CYS A 77 88.815 -9.156 12.076 1.00 0.00 S ATOM 0 H CYS A 77 89.561 -12.975 10.206 1.00 0.00 H new ATOM 0 HA CYS A 77 91.148 -10.424 10.584 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.880 -9.902 9.786 1.00 0.00 H new ATOM 0 HB3 CYS A 77 88.173 -11.117 10.832 1.00 0.00 H new ATOM 1156 N SER A 78 90.986 -10.658 13.122 1.00 0.00 N ATOM 1157 CA SER A 78 91.265 -11.017 14.548 1.00 0.00 C ATOM 1158 C SER A 78 92.051 -9.897 15.237 1.00 0.00 C ATOM 1159 O SER A 78 92.837 -9.210 14.618 1.00 0.00 O ATOM 1160 CB SER A 78 92.112 -12.289 14.487 1.00 0.00 C ATOM 1161 OG SER A 78 92.991 -12.213 13.372 1.00 0.00 O ATOM 0 H SER A 78 91.138 -9.677 12.888 1.00 0.00 H new ATOM 0 HA SER A 78 90.345 -11.162 15.115 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.683 -12.404 15.408 1.00 0.00 H new ATOM 0 HB3 SER A 78 91.469 -13.165 14.399 1.00 0.00 H new ATOM 0 HG SER A 78 93.537 -13.026 13.330 1.00 0.00 H new ATOM 1167 N ASN A 79 91.851 -9.720 16.518 1.00 0.00 N ATOM 1168 CA ASN A 79 92.592 -8.653 17.261 1.00 0.00 C ATOM 1169 C ASN A 79 92.752 -7.397 16.400 1.00 0.00 C ATOM 1170 O ASN A 79 93.843 -6.901 16.205 1.00 0.00 O ATOM 1171 CB ASN A 79 93.958 -9.267 17.570 1.00 0.00 C ATOM 1172 CG ASN A 79 93.767 -10.601 18.293 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.746 -10.829 18.911 1.00 0.00 O ATOM 1174 ND2 ASN A 79 94.713 -11.497 18.241 1.00 0.00 N ATOM 0 H ASN A 79 91.205 -10.270 17.084 1.00 0.00 H new ATOM 0 HA ASN A 79 92.063 -8.343 18.162 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.517 -9.419 16.647 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.543 -8.586 18.189 1.00 0.00 H new ATOM 0 HD21 ASN A 79 94.596 -12.390 18.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 95.570 -11.305 17.722 1.00 0.00 H new ATOM 1181 N ASN A 80 91.672 -6.881 15.887 1.00 0.00 N ATOM 1182 CA ASN A 80 91.748 -5.666 15.044 1.00 0.00 C ATOM 1183 C ASN A 80 92.896 -5.796 14.054 1.00 0.00 C ATOM 1184 O ASN A 80 93.595 -4.849 13.753 1.00 0.00 O ATOM 1185 CB ASN A 80 91.975 -4.517 16.018 1.00 0.00 C ATOM 1186 CG ASN A 80 91.081 -4.676 17.220 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.898 -5.145 17.051 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.465 -4.368 18.331 1.00 0.00 N flip ATOM 0 H ASN A 80 90.732 -7.255 16.019 1.00 0.00 H new ATOM 0 HA ASN A 80 90.846 -5.505 14.453 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.019 -4.496 16.331 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.771 -3.566 15.526 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.406 -3.996 18.460 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.847 -4.482 19.134 1.00 0.00 H new ATOM 1195 N GLU A 81 93.071 -6.971 13.540 1.00 0.00 N ATOM 1196 CA GLU A 81 94.148 -7.206 12.551 1.00 0.00 C ATOM 1197 C GLU A 81 93.588 -7.956 11.345 1.00 0.00 C ATOM 1198 O GLU A 81 92.553 -8.586 11.419 1.00 0.00 O ATOM 1199 CB GLU A 81 95.203 -8.048 13.269 1.00 0.00 C ATOM 1200 CG GLU A 81 95.987 -7.159 14.230 1.00 0.00 C ATOM 1201 CD GLU A 81 97.488 -7.359 14.007 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.878 -7.536 12.865 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.221 -7.331 14.982 1.00 0.00 O ATOM 0 H GLU A 81 92.507 -7.791 13.765 1.00 0.00 H new ATOM 0 HA GLU A 81 94.575 -6.273 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.726 -8.862 13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.877 -8.503 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.722 -6.114 14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.727 -7.402 15.260 1.00 0.00 H new ATOM 1210 N ILE A 82 94.258 -7.891 10.234 1.00 0.00 N ATOM 1211 CA ILE A 82 93.751 -8.599 9.024 1.00 0.00 C ATOM 1212 C ILE A 82 94.702 -9.725 8.618 1.00 0.00 C ATOM 1213 O ILE A 82 95.903 -9.548 8.556 1.00 0.00 O ATOM 1214 CB ILE A 82 93.684 -7.532 7.932 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.735 -6.411 8.370 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.160 -8.162 6.640 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.091 -5.121 7.630 1.00 0.00 C ATOM 0 H ILE A 82 95.132 -7.381 10.107 1.00 0.00 H new ATOM 0 HA ILE A 82 92.780 -9.061 9.202 1.00 0.00 H new ATOM 0 HB ILE A 82 94.679 -7.121 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.703 -6.691 8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.809 -6.257 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.111 -7.403 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 82 93.831 -8.962 6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.164 -8.570 6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.416 -4.324 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.118 -4.839 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.994 -5.279 6.556 1.00 0.00 H new ATOM 1229 N THR A 83 94.169 -10.881 8.341 1.00 0.00 N ATOM 1230 CA THR A 83 95.032 -12.026 7.935 1.00 0.00 C ATOM 1231 C THR A 83 94.825 -12.336 6.447 1.00 0.00 C ATOM 1232 O THR A 83 93.713 -12.410 5.967 1.00 0.00 O ATOM 1233 CB THR A 83 94.564 -13.193 8.819 1.00 0.00 C ATOM 1234 OG1 THR A 83 95.305 -13.188 10.030 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.777 -14.530 8.100 1.00 0.00 C ATOM 0 H THR A 83 93.170 -11.084 8.378 1.00 0.00 H new ATOM 0 HA THR A 83 96.096 -11.824 8.063 1.00 0.00 H new ATOM 0 HB THR A 83 93.501 -13.073 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.009 -13.930 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 94.440 -15.345 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 83 94.206 -14.539 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.836 -14.658 7.876 1.00 0.00 H new ATOM 1243 N CYS A 84 95.889 -12.526 5.717 1.00 0.00 N ATOM 1244 CA CYS A 84 95.751 -12.842 4.266 1.00 0.00 C ATOM 1245 C CYS A 84 96.297 -14.245 3.988 1.00 0.00 C ATOM 1246 O CYS A 84 97.423 -14.560 4.322 1.00 0.00 O ATOM 1247 CB CYS A 84 96.587 -11.784 3.541 1.00 0.00 C ATOM 1248 SG CYS A 84 95.616 -10.266 3.357 1.00 0.00 S ATOM 0 H CYS A 84 96.848 -12.476 6.061 1.00 0.00 H new ATOM 0 HA CYS A 84 94.713 -12.828 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.499 -11.579 4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.891 -12.154 2.562 1.00 0.00 H new ATOM 1253 N SER A 85 95.508 -15.092 3.387 1.00 0.00 N ATOM 1254 CA SER A 85 95.980 -16.477 3.093 1.00 0.00 C ATOM 1255 C SER A 85 97.424 -16.454 2.584 1.00 0.00 C ATOM 1256 O SER A 85 97.736 -15.803 1.606 1.00 0.00 O ATOM 1257 CB SER A 85 95.039 -17.003 2.007 1.00 0.00 C ATOM 1258 OG SER A 85 93.996 -16.062 1.784 1.00 0.00 O ATOM 0 H SER A 85 94.555 -14.886 3.086 1.00 0.00 H new ATOM 0 HA SER A 85 95.968 -17.107 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 85 95.592 -17.174 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.619 -17.962 2.309 1.00 0.00 H new ATOM 0 HG SER A 85 94.320 -15.348 1.197 1.00 0.00 H new ATOM 1264 N SER A 86 98.307 -17.157 3.240 1.00 0.00 N ATOM 1265 CA SER A 86 99.729 -17.174 2.792 1.00 0.00 C ATOM 1266 C SER A 86 99.829 -17.753 1.380 1.00 0.00 C ATOM 1267 O SER A 86 100.646 -17.333 0.584 1.00 0.00 O ATOM 1268 CB SER A 86 100.452 -18.075 3.793 1.00 0.00 C ATOM 1269 OG SER A 86 99.677 -19.247 4.012 1.00 0.00 O ATOM 0 H SER A 86 98.105 -17.720 4.066 1.00 0.00 H new ATOM 0 HA SER A 86 100.163 -16.175 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.438 -18.342 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.605 -17.545 4.733 1.00 0.00 H new ATOM 0 HG SER A 86 100.138 -19.829 4.652 1.00 0.00 H new ATOM 1275 N GLU A 87 99.001 -18.707 1.059 1.00 0.00 N ATOM 1276 CA GLU A 87 99.051 -19.302 -0.306 1.00 0.00 C ATOM 1277 C GLU A 87 98.951 -18.191 -1.352 1.00 0.00 C ATOM 1278 O GLU A 87 99.358 -18.350 -2.486 1.00 0.00 O ATOM 1279 CB GLU A 87 97.834 -20.222 -0.380 1.00 0.00 C ATOM 1280 CG GLU A 87 98.215 -21.613 0.128 1.00 0.00 C ATOM 1281 CD GLU A 87 97.830 -22.663 -0.915 1.00 0.00 C ATOM 1282 OE1 GLU A 87 98.213 -22.499 -2.062 1.00 0.00 O ATOM 1283 OE2 GLU A 87 97.157 -23.613 -0.550 1.00 0.00 O ATOM 0 H GLU A 87 98.294 -19.100 1.680 1.00 0.00 H new ATOM 0 HA GLU A 87 99.978 -19.844 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 87 97.020 -19.815 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 87 97.474 -20.284 -1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 99.286 -21.658 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.707 -21.819 1.070 1.00 0.00 H new ATOM 1290 N ASN A 88 98.408 -17.069 -0.974 1.00 0.00 N ATOM 1291 CA ASN A 88 98.276 -15.940 -1.934 1.00 0.00 C ATOM 1292 C ASN A 88 99.590 -15.729 -2.688 1.00 0.00 C ATOM 1293 O ASN A 88 100.626 -15.503 -2.095 1.00 0.00 O ATOM 1294 CB ASN A 88 97.956 -14.720 -1.069 1.00 0.00 C ATOM 1295 CG ASN A 88 96.447 -14.643 -0.827 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.733 -15.598 -1.056 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.929 -13.535 -0.370 1.00 0.00 N ATOM 0 H ASN A 88 98.048 -16.885 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 88 97.506 -16.124 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.484 -14.788 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.302 -13.811 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.924 -13.472 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.529 -12.733 -0.178 1.00 0.00 H new ATOM 1304 N ASN A 89 99.559 -15.796 -3.990 1.00 0.00 N ATOM 1305 CA ASN A 89 100.810 -15.594 -4.773 1.00 0.00 C ATOM 1306 C ASN A 89 101.200 -14.116 -4.770 1.00 0.00 C ATOM 1307 O ASN A 89 100.639 -13.316 -4.047 1.00 0.00 O ATOM 1308 CB ASN A 89 100.476 -16.050 -6.193 1.00 0.00 C ATOM 1309 CG ASN A 89 99.415 -15.124 -6.788 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.975 -14.190 -6.145 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.982 -15.342 -7.999 1.00 0.00 N ATOM 0 H ASN A 89 98.723 -15.981 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 89 101.648 -16.150 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.374 -16.037 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.112 -17.077 -6.181 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.275 -14.729 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.350 -16.125 -8.539 1.00 0.00 H new ATOM 1318 N ALA A 90 102.157 -13.748 -5.574 1.00 0.00 N ATOM 1319 CA ALA A 90 102.584 -12.325 -5.619 1.00 0.00 C ATOM 1320 C ALA A 90 101.371 -11.409 -5.818 1.00 0.00 C ATOM 1321 O ALA A 90 101.193 -10.438 -5.112 1.00 0.00 O ATOM 1322 CB ALA A 90 103.529 -12.233 -6.817 1.00 0.00 C ATOM 0 H ALA A 90 102.662 -14.373 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 90 103.066 -12.011 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 90 103.889 -11.209 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.376 -12.902 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 90 102.997 -12.522 -7.723 1.00 0.00 H new ATOM 1328 N CYS A 91 100.539 -11.711 -6.779 1.00 0.00 N ATOM 1329 CA CYS A 91 99.343 -10.854 -7.024 1.00 0.00 C ATOM 1330 C CYS A 91 98.385 -10.917 -5.832 1.00 0.00 C ATOM 1331 O CYS A 91 98.089 -9.917 -5.211 1.00 0.00 O ATOM 1332 CB CYS A 91 98.685 -11.440 -8.275 1.00 0.00 C ATOM 1333 SG CYS A 91 99.550 -10.840 -9.747 1.00 0.00 S ATOM 0 H CYS A 91 100.636 -12.512 -7.403 1.00 0.00 H new ATOM 0 HA CYS A 91 99.610 -9.805 -7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 91 98.717 -12.529 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 91 97.634 -11.153 -8.315 1.00 0.00 H new ATOM 1338 N GLU A 92 97.895 -12.083 -5.506 1.00 0.00 N ATOM 1339 CA GLU A 92 96.957 -12.193 -4.353 1.00 0.00 C ATOM 1340 C GLU A 92 97.624 -11.662 -3.085 1.00 0.00 C ATOM 1341 O GLU A 92 96.984 -11.083 -2.230 1.00 0.00 O ATOM 1342 CB GLU A 92 96.658 -13.686 -4.219 1.00 0.00 C ATOM 1343 CG GLU A 92 95.282 -13.871 -3.579 1.00 0.00 C ATOM 1344 CD GLU A 92 94.199 -13.714 -4.648 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.362 -12.863 -5.507 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.226 -14.447 -4.590 1.00 0.00 O ATOM 0 H GLU A 92 98.102 -12.959 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 92 96.047 -11.612 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 92 96.683 -14.163 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 92 97.423 -14.168 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.213 -14.856 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.136 -13.137 -2.787 1.00 0.00 H new ATOM 1353 N ALA A 93 98.908 -11.853 -2.957 1.00 0.00 N ATOM 1354 CA ALA A 93 99.615 -11.355 -1.744 1.00 0.00 C ATOM 1355 C ALA A 93 99.741 -9.832 -1.802 1.00 0.00 C ATOM 1356 O ALA A 93 99.471 -9.141 -0.839 1.00 0.00 O ATOM 1357 CB ALA A 93 100.995 -12.011 -1.787 1.00 0.00 C ATOM 0 H ALA A 93 99.497 -12.331 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 93 99.082 -11.598 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.577 -11.691 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.883 -13.095 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.510 -11.715 -2.701 1.00 0.00 H new ATOM 1363 N PHE A 94 100.145 -9.300 -2.923 1.00 0.00 N ATOM 1364 CA PHE A 94 100.281 -7.821 -3.035 1.00 0.00 C ATOM 1365 C PHE A 94 98.900 -7.165 -2.968 1.00 0.00 C ATOM 1366 O PHE A 94 98.706 -6.174 -2.293 1.00 0.00 O ATOM 1367 CB PHE A 94 100.931 -7.577 -4.397 1.00 0.00 C ATOM 1368 CG PHE A 94 101.464 -6.166 -4.450 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.605 -5.105 -4.760 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.817 -5.919 -4.191 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.099 -3.797 -4.810 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.311 -4.610 -4.240 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.452 -3.549 -4.550 1.00 0.00 C ATOM 0 H PHE A 94 100.386 -9.824 -3.764 1.00 0.00 H new ATOM 0 HA PHE A 94 100.876 -7.397 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.740 -8.290 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.203 -7.733 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.561 -5.296 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.480 -6.738 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.436 -2.978 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.355 -4.419 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.833 -2.539 -4.589 1.00 0.00 H new ATOM 1383 N ILE A 95 97.938 -7.713 -3.658 1.00 0.00 N ATOM 1384 CA ILE A 95 96.571 -7.120 -3.623 1.00 0.00 C ATOM 1385 C ILE A 95 96.032 -7.144 -2.189 1.00 0.00 C ATOM 1386 O ILE A 95 95.308 -6.262 -1.775 1.00 0.00 O ATOM 1387 CB ILE A 95 95.726 -8.006 -4.538 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.273 -7.937 -5.966 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.279 -7.511 -4.525 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.598 -9.010 -6.825 1.00 0.00 C ATOM 0 H ILE A 95 98.038 -8.543 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 95 96.558 -6.081 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 95 95.765 -9.036 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.090 -6.949 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.353 -8.087 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.673 -8.141 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.888 -7.558 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.244 -6.481 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.988 -8.960 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.804 -9.995 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.522 -8.840 -6.840 1.00 0.00 H new ATOM 1402 N CYS A 96 96.388 -8.144 -1.424 1.00 0.00 N ATOM 1403 CA CYS A 96 95.902 -8.212 -0.014 1.00 0.00 C ATOM 1404 C CYS A 96 96.580 -7.121 0.817 1.00 0.00 C ATOM 1405 O CYS A 96 96.061 -6.673 1.821 1.00 0.00 O ATOM 1406 CB CYS A 96 96.313 -9.598 0.487 1.00 0.00 C ATOM 1407 SG CYS A 96 94.960 -10.326 1.446 1.00 0.00 S ATOM 0 H CYS A 96 96.992 -8.913 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 96 94.825 -8.059 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.561 -10.242 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.209 -9.522 1.103 1.00 0.00 H new ATOM 1412 N ASN A 97 97.740 -6.691 0.402 1.00 0.00 N ATOM 1413 CA ASN A 97 98.462 -5.628 1.158 1.00 0.00 C ATOM 1414 C ASN A 97 97.897 -4.251 0.799 1.00 0.00 C ATOM 1415 O ASN A 97 97.882 -3.345 1.608 1.00 0.00 O ATOM 1416 CB ASN A 97 99.918 -5.743 0.708 1.00 0.00 C ATOM 1417 CG ASN A 97 100.620 -6.831 1.513 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.040 -7.422 2.403 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.857 -7.125 1.233 1.00 0.00 N ATOM 0 H ASN A 97 98.221 -7.031 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 97 98.358 -5.744 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.963 -5.978 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.428 -4.789 0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.340 -7.852 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.343 -6.628 0.486 1.00 0.00 H new ATOM 1426 N CYS A 98 97.430 -4.088 -0.410 1.00 0.00 N ATOM 1427 CA CYS A 98 96.864 -2.771 -0.820 1.00 0.00 C ATOM 1428 C CYS A 98 95.595 -2.475 -0.019 1.00 0.00 C ATOM 1429 O CYS A 98 95.414 -1.391 0.502 1.00 0.00 O ATOM 1430 CB CYS A 98 96.535 -2.922 -2.306 1.00 0.00 C ATOM 1431 SG CYS A 98 98.045 -3.310 -3.226 1.00 0.00 S ATOM 0 H CYS A 98 97.416 -4.810 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 98 97.557 -1.949 -0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.798 -3.713 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.092 -2.001 -2.686 1.00 0.00 H new ATOM 1436 N ASP A 99 94.718 -3.434 0.088 1.00 0.00 N ATOM 1437 CA ASP A 99 93.463 -3.214 0.860 1.00 0.00 C ATOM 1438 C ASP A 99 93.774 -3.166 2.358 1.00 0.00 C ATOM 1439 O ASP A 99 93.209 -2.385 3.097 1.00 0.00 O ATOM 1440 CB ASP A 99 92.584 -4.421 0.530 1.00 0.00 C ATOM 1441 CG ASP A 99 92.218 -4.393 -0.955 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.114 -4.204 -1.761 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.050 -4.560 -1.262 1.00 0.00 O ATOM 0 H ASP A 99 94.816 -4.361 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 99 92.974 -2.274 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.111 -5.345 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.680 -4.404 1.139 1.00 0.00 H new ATOM 1448 N ARG A 100 94.674 -3.996 2.807 1.00 0.00 N ATOM 1449 CA ARG A 100 95.033 -4.005 4.255 1.00 0.00 C ATOM 1450 C ARG A 100 95.821 -2.744 4.614 1.00 0.00 C ATOM 1451 O ARG A 100 95.575 -2.109 5.620 1.00 0.00 O ATOM 1452 CB ARG A 100 95.908 -5.246 4.432 1.00 0.00 C ATOM 1453 CG ARG A 100 96.053 -5.562 5.922 1.00 0.00 C ATOM 1454 CD ARG A 100 97.482 -6.030 6.204 1.00 0.00 C ATOM 1455 NE ARG A 100 97.340 -7.414 6.705 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.398 -8.127 6.982 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.581 -7.576 6.967 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.272 -9.392 7.276 1.00 0.00 N ATOM 0 H ARG A 100 95.179 -4.671 2.232 1.00 0.00 H new ATOM 0 HA ARG A 100 94.154 -4.024 4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.464 -6.094 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 100 96.889 -5.078 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.824 -4.678 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.341 -6.335 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.093 -5.998 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.968 -5.391 6.941 1.00 0.00 H new ATOM 0 HE ARG A 100 96.411 -7.814 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.680 -6.587 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.407 -8.135 7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.348 -9.823 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.098 -9.950 7.493 1.00 0.00 H new ATOM 1472 N ASN A 101 96.772 -2.379 3.798 1.00 0.00 N ATOM 1473 CA ASN A 101 97.581 -1.161 4.090 1.00 0.00 C ATOM 1474 C ASN A 101 96.668 0.062 4.216 1.00 0.00 C ATOM 1475 O ASN A 101 96.946 0.982 4.959 1.00 0.00 O ATOM 1476 CB ASN A 101 98.516 -1.008 2.890 1.00 0.00 C ATOM 1477 CG ASN A 101 99.729 -1.917 3.064 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.877 -2.568 4.079 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.609 -1.988 2.108 1.00 0.00 N ATOM 0 H ASN A 101 97.024 -2.872 2.941 1.00 0.00 H new ATOM 0 HA ASN A 101 98.131 -1.246 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 101 97.988 -1.262 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.837 0.029 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.425 -2.591 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.483 -1.440 1.257 1.00 0.00 H new ATOM 1486 N ALA A 102 95.582 0.079 3.494 1.00 0.00 N ATOM 1487 CA ALA A 102 94.654 1.244 3.569 1.00 0.00 C ATOM 1488 C ALA A 102 93.803 1.167 4.842 1.00 0.00 C ATOM 1489 O ALA A 102 93.575 2.156 5.509 1.00 0.00 O ATOM 1490 CB ALA A 102 93.771 1.130 2.325 1.00 0.00 C ATOM 0 H ALA A 102 95.296 -0.663 2.855 1.00 0.00 H new ATOM 0 HA ALA A 102 95.188 2.193 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.059 1.955 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.394 1.170 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.230 0.184 2.348 1.00 0.00 H new ATOM 1496 N ALA A 103 93.332 -0.001 5.183 1.00 0.00 N ATOM 1497 CA ALA A 103 92.496 -0.141 6.411 1.00 0.00 C ATOM 1498 C ALA A 103 93.342 0.114 7.662 1.00 0.00 C ATOM 1499 O ALA A 103 92.934 0.812 8.570 1.00 0.00 O ATOM 1500 CB ALA A 103 92.000 -1.586 6.386 1.00 0.00 C ATOM 0 H ALA A 103 93.489 -0.865 4.665 1.00 0.00 H new ATOM 0 HA ALA A 103 91.674 0.574 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.375 -1.771 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.417 -1.755 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.853 -2.264 6.400 1.00 0.00 H new ATOM 1506 N ILE A 104 94.519 -0.450 7.716 1.00 0.00 N ATOM 1507 CA ILE A 104 95.395 -0.246 8.906 1.00 0.00 C ATOM 1508 C ILE A 104 95.696 1.242 9.088 1.00 0.00 C ATOM 1509 O ILE A 104 95.726 1.753 10.191 1.00 0.00 O ATOM 1510 CB ILE A 104 96.674 -1.018 8.584 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.341 -2.503 8.414 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.677 -0.850 9.727 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.570 -3.242 7.883 1.00 0.00 C ATOM 0 H ILE A 104 94.912 -1.044 6.986 1.00 0.00 H new ATOM 0 HA ILE A 104 94.931 -0.590 9.830 1.00 0.00 H new ATOM 0 HB ILE A 104 97.108 -0.632 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.031 -2.929 9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.505 -2.623 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.588 -1.401 9.495 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.914 0.207 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.244 -1.236 10.650 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.334 -4.299 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.859 -2.822 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.393 -3.133 8.589 1.00 0.00 H new ATOM 1525 N CYS A 105 95.917 1.940 8.013 1.00 0.00 N ATOM 1526 CA CYS A 105 96.215 3.393 8.121 1.00 0.00 C ATOM 1527 C CYS A 105 95.013 4.128 8.719 1.00 0.00 C ATOM 1528 O CYS A 105 95.157 4.988 9.564 1.00 0.00 O ATOM 1529 CB CYS A 105 96.468 3.847 6.685 1.00 0.00 C ATOM 1530 SG CYS A 105 97.411 5.390 6.697 1.00 0.00 S ATOM 0 H CYS A 105 95.904 1.568 7.063 1.00 0.00 H new ATOM 0 HA CYS A 105 97.067 3.600 8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 105 97.016 3.078 6.140 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.521 3.992 6.166 1.00 0.00 H new ATOM 1535 N PHE A 106 93.825 3.789 8.293 1.00 0.00 N ATOM 1536 CA PHE A 106 92.619 4.459 8.841 1.00 0.00 C ATOM 1537 C PHE A 106 92.648 4.397 10.366 1.00 0.00 C ATOM 1538 O PHE A 106 92.279 5.332 11.048 1.00 0.00 O ATOM 1539 CB PHE A 106 91.432 3.661 8.296 1.00 0.00 C ATOM 1540 CG PHE A 106 91.366 3.776 6.786 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.165 4.708 6.107 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.496 2.948 6.068 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.092 4.808 4.712 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.424 3.048 4.673 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.221 3.978 3.995 1.00 0.00 C ATOM 0 H PHE A 106 93.642 3.075 7.588 1.00 0.00 H new ATOM 0 HA PHE A 106 92.561 5.510 8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.527 2.614 8.583 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.505 4.029 8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.836 5.348 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.880 2.231 6.590 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.707 5.525 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.753 2.407 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.164 4.055 2.919 1.00 0.00 H new ATOM 1555 N SER A 107 93.087 3.295 10.902 1.00 0.00 N ATOM 1556 CA SER A 107 93.146 3.156 12.386 1.00 0.00 C ATOM 1557 C SER A 107 94.414 3.820 12.930 1.00 0.00 C ATOM 1558 O SER A 107 94.576 3.983 14.123 1.00 0.00 O ATOM 1559 CB SER A 107 93.175 1.649 12.642 1.00 0.00 C ATOM 1560 OG SER A 107 94.522 1.195 12.623 1.00 0.00 O ATOM 0 H SER A 107 93.409 2.482 10.377 1.00 0.00 H new ATOM 0 HA SER A 107 92.301 3.636 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.717 1.423 13.605 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.593 1.128 11.882 1.00 0.00 H new ATOM 0 HG SER A 107 94.925 1.402 11.754 1.00 0.00 H new ATOM 1566 N LYS A 108 95.315 4.202 12.066 1.00 0.00 N ATOM 1567 CA LYS A 108 96.572 4.852 12.538 1.00 0.00 C ATOM 1568 C LYS A 108 96.471 6.374 12.412 1.00 0.00 C ATOM 1569 O LYS A 108 97.416 7.090 12.676 1.00 0.00 O ATOM 1570 CB LYS A 108 97.663 4.316 11.615 1.00 0.00 C ATOM 1571 CG LYS A 108 98.266 3.044 12.215 1.00 0.00 C ATOM 1572 CD LYS A 108 99.793 3.125 12.147 1.00 0.00 C ATOM 1573 CE LYS A 108 100.402 2.255 13.249 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.016 1.104 12.533 1.00 0.00 N ATOM 0 H LYS A 108 95.236 4.093 11.055 1.00 0.00 H new ATOM 0 HA LYS A 108 96.775 4.635 13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.248 4.104 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.439 5.069 11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.943 2.928 13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.912 2.169 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.142 2.790 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 108 100.118 4.159 12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 108 101.147 2.807 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 108 99.641 1.921 13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 101.455 0.461 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.282 0.594 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.741 1.452 11.874 1.00 0.00 H new ATOM 1588 N VAL A 109 95.339 6.877 12.004 1.00 0.00 N ATOM 1589 CA VAL A 109 95.195 8.354 11.858 1.00 0.00 C ATOM 1590 C VAL A 109 93.811 8.813 12.328 1.00 0.00 C ATOM 1591 O VAL A 109 92.902 8.018 12.459 1.00 0.00 O ATOM 1592 CB VAL A 109 95.366 8.617 10.363 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.599 7.871 9.851 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.125 8.121 9.616 1.00 0.00 C ATOM 0 H VAL A 109 94.510 6.332 11.766 1.00 0.00 H new ATOM 0 HA VAL A 109 95.923 8.898 12.460 1.00 0.00 H new ATOM 0 HB VAL A 109 95.492 9.686 10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.721 8.059 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.483 8.220 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.473 6.801 10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.244 8.307 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.001 7.051 9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.245 8.651 9.981 1.00 0.00 H new ATOM 1604 N PRO A 110 93.705 10.094 12.564 1.00 0.00 N ATOM 1605 CA PRO A 110 92.424 10.684 13.023 1.00 0.00 C ATOM 1606 C PRO A 110 91.429 10.768 11.862 1.00 0.00 C ATOM 1607 O PRO A 110 91.780 10.572 10.715 1.00 0.00 O ATOM 1608 CB PRO A 110 92.823 12.079 13.496 1.00 0.00 C ATOM 1609 CG PRO A 110 94.074 12.406 12.742 1.00 0.00 C ATOM 1610 CD PRO A 110 94.762 11.101 12.427 1.00 0.00 C ATOM 0 HA PRO A 110 91.936 10.097 13.801 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.037 12.805 13.288 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.996 12.095 14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.840 12.948 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.723 13.049 13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.181 11.104 11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.586 10.909 13.114 1.00 0.00 H new ATOM 1618 N TYR A 111 90.191 11.059 12.152 1.00 0.00 N ATOM 1619 CA TYR A 111 89.172 11.157 11.067 1.00 0.00 C ATOM 1620 C TYR A 111 88.520 12.542 11.081 1.00 0.00 C ATOM 1621 O TYR A 111 88.135 13.045 12.118 1.00 0.00 O ATOM 1622 CB TYR A 111 88.143 10.076 11.395 1.00 0.00 C ATOM 1623 CG TYR A 111 87.055 10.081 10.349 1.00 0.00 C ATOM 1624 CD1 TYR A 111 85.968 10.955 10.473 1.00 0.00 C ATOM 1625 CD2 TYR A 111 87.133 9.211 9.256 1.00 0.00 C ATOM 1626 CE1 TYR A 111 84.961 10.960 9.502 1.00 0.00 C ATOM 1627 CE2 TYR A 111 86.125 9.214 8.285 1.00 0.00 C ATOM 1628 CZ TYR A 111 85.038 10.089 8.408 1.00 0.00 C ATOM 1629 OH TYR A 111 84.045 10.093 7.450 1.00 0.00 O ATOM 0 H TYR A 111 89.840 11.233 13.094 1.00 0.00 H new ATOM 0 HA TYR A 111 89.605 11.020 10.076 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.625 9.099 11.429 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.715 10.254 12.381 1.00 0.00 H new ATOM 0 HD1 TYR A 111 85.907 11.625 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 111 87.971 8.537 9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 111 84.124 11.636 9.596 1.00 0.00 H new ATOM 0 HE2 TYR A 111 86.185 8.542 7.442 1.00 0.00 H new ATOM 0 HH TYR A 111 84.358 9.618 6.652 1.00 0.00 H new ATOM 1639 N ASN A 112 88.393 13.164 9.941 1.00 0.00 N ATOM 1640 CA ASN A 112 87.766 14.517 9.898 1.00 0.00 C ATOM 1641 C ASN A 112 86.401 14.448 9.207 1.00 0.00 C ATOM 1642 O ASN A 112 86.300 14.542 8.000 1.00 0.00 O ATOM 1643 CB ASN A 112 88.732 15.377 9.083 1.00 0.00 C ATOM 1644 CG ASN A 112 89.945 15.736 9.942 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.758 14.792 10.328 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.155 16.889 10.266 1.00 0.00 N flip ATOM 0 H ASN A 112 88.695 12.796 9.039 1.00 0.00 H new ATOM 0 HA ASN A 112 87.598 14.923 10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.051 14.838 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.231 16.284 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.519 17.627 9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 112 90.967 17.118 10.840 1.00 0.00 H new ATOM 1653 N LYS A 113 85.351 14.286 9.964 1.00 0.00 N ATOM 1654 CA LYS A 113 83.996 14.214 9.348 1.00 0.00 C ATOM 1655 C LYS A 113 83.746 15.448 8.475 1.00 0.00 C ATOM 1656 O LYS A 113 83.066 15.381 7.470 1.00 0.00 O ATOM 1657 CB LYS A 113 83.024 14.183 10.528 1.00 0.00 C ATOM 1658 CG LYS A 113 82.045 13.022 10.351 1.00 0.00 C ATOM 1659 CD LYS A 113 80.669 13.568 9.964 1.00 0.00 C ATOM 1660 CE LYS A 113 80.556 13.628 8.438 1.00 0.00 C ATOM 1661 NZ LYS A 113 79.109 13.857 8.170 1.00 0.00 N ATOM 0 H LYS A 113 85.372 14.201 10.980 1.00 0.00 H new ATOM 0 HA LYS A 113 83.880 13.342 8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.573 14.070 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 113 82.480 15.125 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 113 82.407 12.341 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 113 81.974 12.449 11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 113 79.885 12.931 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 113 80.527 14.561 10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.166 14.433 8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 113 80.901 12.701 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 78.953 13.927 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 78.555 13.063 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 78.807 14.741 8.627 1.00 0.00 H new ATOM 1675 N GLU A 114 84.290 16.573 8.851 1.00 0.00 N ATOM 1676 CA GLU A 114 84.085 17.805 8.048 1.00 0.00 C ATOM 1677 C GLU A 114 84.750 17.657 6.679 1.00 0.00 C ATOM 1678 O GLU A 114 84.324 18.243 5.703 1.00 0.00 O ATOM 1679 CB GLU A 114 84.753 18.922 8.851 1.00 0.00 C ATOM 1680 CG GLU A 114 83.685 19.714 9.609 1.00 0.00 C ATOM 1681 CD GLU A 114 84.032 19.747 11.098 1.00 0.00 C ATOM 1682 OE1 GLU A 114 85.057 20.313 11.436 1.00 0.00 O ATOM 1683 OE2 GLU A 114 83.264 19.204 11.878 1.00 0.00 O ATOM 0 H GLU A 114 84.869 16.689 9.683 1.00 0.00 H new ATOM 0 HA GLU A 114 83.029 18.010 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.474 18.500 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.306 19.583 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.624 20.729 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 114 82.706 19.256 9.463 1.00 0.00 H new ATOM 1690 N HIS A 115 85.792 16.878 6.603 1.00 0.00 N ATOM 1691 CA HIS A 115 86.487 16.686 5.299 1.00 0.00 C ATOM 1692 C HIS A 115 85.663 15.770 4.392 1.00 0.00 C ATOM 1693 O HIS A 115 85.986 15.569 3.239 1.00 0.00 O ATOM 1694 CB HIS A 115 87.817 16.022 5.657 1.00 0.00 C ATOM 1695 CG HIS A 115 88.793 17.060 6.140 1.00 0.00 C ATOM 1696 ND1 HIS A 115 88.622 18.220 6.854 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 90.153 16.959 5.901 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 89.856 18.830 7.057 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 90.745 18.029 6.461 1.00 0.00 N flip ATOM 0 H HIS A 115 86.193 16.365 7.388 1.00 0.00 H new ATOM 0 HA HIS A 115 86.627 17.625 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 115 87.661 15.269 6.430 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.222 15.506 4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 115 90.649 16.165 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.053 19.752 7.583 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.749 18.207 6.434 1.00 0.00 H new ATOM 1707 N LYS A 116 84.600 15.211 4.905 1.00 0.00 N ATOM 1708 CA LYS A 116 83.758 14.310 4.081 1.00 0.00 C ATOM 1709 C LYS A 116 83.109 15.088 2.934 1.00 0.00 C ATOM 1710 O LYS A 116 82.707 16.223 3.091 1.00 0.00 O ATOM 1711 CB LYS A 116 82.703 13.801 5.057 1.00 0.00 C ATOM 1712 CG LYS A 116 82.235 12.419 4.622 1.00 0.00 C ATOM 1713 CD LYS A 116 80.787 12.499 4.135 1.00 0.00 C ATOM 1714 CE LYS A 116 79.844 12.100 5.273 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.434 10.702 4.961 1.00 0.00 N ATOM 0 H LYS A 116 84.281 15.343 5.865 1.00 0.00 H new ATOM 0 HA LYS A 116 84.325 13.501 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.116 13.757 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 116 81.859 14.490 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.877 12.040 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.312 11.719 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.561 13.511 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.642 11.839 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.345 12.158 6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 116 78.980 12.763 5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.786 10.358 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 78.954 10.679 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.276 10.092 4.929 1.00 0.00 H new ATOM 1729 N ASN A 117 83.004 14.485 1.783 1.00 0.00 N ATOM 1730 CA ASN A 117 82.381 15.191 0.627 1.00 0.00 C ATOM 1731 C ASN A 117 83.092 16.522 0.375 1.00 0.00 C ATOM 1732 O ASN A 117 82.478 17.570 0.348 1.00 0.00 O ATOM 1733 CB ASN A 117 80.930 15.429 1.044 1.00 0.00 C ATOM 1734 CG ASN A 117 80.272 14.092 1.392 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.896 13.053 1.301 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.030 14.076 1.791 1.00 0.00 N ATOM 0 H ASN A 117 83.322 13.535 1.592 1.00 0.00 H new ATOM 0 HA ASN A 117 82.451 14.614 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.893 16.099 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.384 15.916 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 117 78.582 13.191 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 117 78.507 14.949 1.867 1.00 0.00 H new ATOM 1743 N LEU A 118 84.384 16.490 0.193 1.00 0.00 N ATOM 1744 CA LEU A 118 85.136 17.722 -0.054 1.00 0.00 C ATOM 1745 C LEU A 118 84.969 18.135 -1.518 1.00 0.00 C ATOM 1746 O LEU A 118 84.439 17.401 -2.327 1.00 0.00 O ATOM 1747 CB LEU A 118 86.569 17.309 0.276 1.00 0.00 C ATOM 1748 CG LEU A 118 87.572 18.165 -0.476 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.648 19.558 0.154 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.952 17.505 -0.410 1.00 0.00 C ATOM 0 H LEU A 118 84.947 15.640 0.208 1.00 0.00 H new ATOM 0 HA LEU A 118 84.813 18.583 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.739 17.401 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.717 16.260 0.019 1.00 0.00 H new ATOM 0 HG LEU A 118 87.255 18.258 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.370 20.165 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.667 20.032 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.961 19.470 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.674 18.118 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.261 17.411 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.904 16.516 -0.865 1.00 0.00 H new ATOM 1762 N ASP A 119 85.410 19.305 -1.853 1.00 0.00 N ATOM 1763 CA ASP A 119 85.280 19.789 -3.260 1.00 0.00 C ATOM 1764 C ASP A 119 86.568 19.531 -4.047 1.00 0.00 C ATOM 1765 O ASP A 119 87.652 19.850 -3.603 1.00 0.00 O ATOM 1766 CB ASP A 119 85.022 21.292 -3.139 1.00 0.00 C ATOM 1767 CG ASP A 119 84.398 21.807 -4.437 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.479 21.105 -5.431 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.849 22.896 -4.416 1.00 0.00 O ATOM 0 H ASP A 119 85.860 19.959 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 119 84.481 19.274 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.357 21.491 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.956 21.817 -2.938 1.00 0.00 H new ATOM 1774 N LYS A 120 86.454 18.965 -5.217 1.00 0.00 N ATOM 1775 CA LYS A 120 87.663 18.697 -6.038 1.00 0.00 C ATOM 1776 C LYS A 120 88.450 19.995 -6.245 1.00 0.00 C ATOM 1777 O LYS A 120 89.615 19.981 -6.589 1.00 0.00 O ATOM 1778 CB LYS A 120 87.129 18.176 -7.373 1.00 0.00 C ATOM 1779 CG LYS A 120 86.637 16.738 -7.201 1.00 0.00 C ATOM 1780 CD LYS A 120 86.414 16.107 -8.576 1.00 0.00 C ATOM 1781 CE LYS A 120 85.058 16.555 -9.130 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.336 17.809 -9.889 1.00 0.00 N ATOM 0 H LYS A 120 85.571 18.676 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 120 88.337 17.983 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 120 86.315 18.810 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.912 18.215 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 120 87.367 16.158 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.709 16.726 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 120 87.212 16.402 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.446 15.020 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 120 84.626 15.792 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.344 16.732 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 84.899 18.615 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 86.364 17.957 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 84.940 17.730 -10.847 1.00 0.00 H new ATOM 1796 N LYS A 121 87.814 21.116 -6.039 1.00 0.00 N ATOM 1797 CA LYS A 121 88.515 22.421 -6.221 1.00 0.00 C ATOM 1798 C LYS A 121 89.650 22.557 -5.217 1.00 0.00 C ATOM 1799 O LYS A 121 90.533 23.380 -5.358 1.00 0.00 O ATOM 1800 CB LYS A 121 87.452 23.476 -5.953 1.00 0.00 C ATOM 1801 CG LYS A 121 86.842 23.929 -7.274 1.00 0.00 C ATOM 1802 CD LYS A 121 85.970 22.809 -7.843 1.00 0.00 C ATOM 1803 CE LYS A 121 85.017 23.384 -8.893 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.421 22.195 -9.565 1.00 0.00 N ATOM 0 H LYS A 121 86.838 21.185 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 121 88.953 22.516 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.677 23.070 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.892 24.327 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.245 24.828 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 121 87.630 24.186 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.597 22.038 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 121 85.402 22.334 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.248 24.003 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 121 85.549 24.015 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 83.755 22.509 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 85.176 21.628 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 83.915 21.617 -8.864 1.00 0.00 H new ATOM 1818 N ASN A 122 89.641 21.733 -4.223 1.00 0.00 N ATOM 1819 CA ASN A 122 90.722 21.762 -3.207 1.00 0.00 C ATOM 1820 C ASN A 122 91.771 20.738 -3.604 1.00 0.00 C ATOM 1821 O ASN A 122 92.841 20.652 -3.035 1.00 0.00 O ATOM 1822 CB ASN A 122 90.047 21.339 -1.910 1.00 0.00 C ATOM 1823 CG ASN A 122 89.540 22.571 -1.159 1.00 0.00 C ATOM 1824 OD1 ASN A 122 90.106 22.963 -0.159 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.487 23.202 -1.601 1.00 0.00 N ATOM 0 H ASN A 122 88.921 21.028 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 122 91.204 22.735 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.217 20.667 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.751 20.787 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 122 88.140 24.024 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 122 88.011 22.873 -2.441 1.00 0.00 H new ATOM 1832 N CYS A 123 91.436 19.951 -4.578 1.00 0.00 N ATOM 1833 CA CYS A 123 92.352 18.892 -5.054 1.00 0.00 C ATOM 1834 C CYS A 123 93.109 19.354 -6.304 1.00 0.00 C ATOM 1835 O CYS A 123 94.259 18.974 -6.448 1.00 0.00 O ATOM 1836 CB CYS A 123 91.408 17.740 -5.380 1.00 0.00 C ATOM 1837 SG CYS A 123 91.209 16.692 -3.920 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.525 20.076 -7.094 1.00 0.00 O ATOM 0 H CYS A 123 90.546 19.999 -5.074 1.00 0.00 H new ATOM 0 HA CYS A 123 93.118 18.623 -4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.440 18.128 -5.697 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.804 17.155 -6.210 1.00 0.00 H new