USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.25 F(o=-2.7,f=-0.52) USER MOD Set 1.3: A 84 ASN : amide:sc= -0.266 K(o=-0.52,f=-6!) USER MOD Set 2.1: A 83 MET CE :methyl -111:sc= -1.3 (180deg=-6.01!) USER MOD Set 2.2: A 94 TYR OH : rot 30:sc= -0.258 USER MOD Set 3.1: A 78 THR OG1 : rot -169:sc= -3.43! USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= -0.501 USER MOD Set 4.1: A 32 TYR OH : rot 165:sc= -2.1! USER MOD Set 4.2: A 106 SER OG : rot -156:sc= 0.111 USER MOD Single : A 3 GLN : amide:sc= -0.429 K(o=-0.43,f=-8.4!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 35:sc= 0.891 USER MOD Single : A 13 GLN : amide:sc= 0.00679 X(o=0.0068,f=-0.28) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.421 USER MOD Single : A 34 MET CE :methyl 161:sc= -0.0301 (180deg=-1.27) USER MOD Single : A 39 GLN : amide:sc= -2.97 K(o=-3,f=-9.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.728! USER MOD Single : A 52 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -151:sc= -1.23 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.418 USER MOD Single : A 71 SER OG : rot 180:sc= -0.308 USER MOD Single : A 74 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.03) USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00294) USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0438) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -179:sc= -1.47 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 130:sc= -0.182 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.37 F(o=-2.3,f=-0.37) USER MOD Single : A 114 THR OG1 : rot -140:sc= -0.0551 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.349 11.134 -1.671 1.00 0.00 N ATOM 37 CA GLN A 3 8.923 11.381 -1.850 1.00 0.00 C ATOM 38 C GLN A 3 8.164 10.064 -1.966 1.00 0.00 C ATOM 39 O GLN A 3 8.746 9.020 -2.261 1.00 0.00 O ATOM 40 CB GLN A 3 8.697 12.266 -3.089 1.00 0.00 C ATOM 41 CG GLN A 3 7.371 12.051 -3.814 1.00 0.00 C ATOM 42 CD GLN A 3 6.217 12.776 -3.149 1.00 0.00 C ATOM 43 OE1 GLN A 3 5.275 12.152 -2.662 1.00 0.00 O ATOM 44 NE2 GLN A 3 6.286 14.103 -3.128 1.00 0.00 N ATOM 0 HA GLN A 3 8.539 11.909 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.760 13.311 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.510 12.090 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.465 12.394 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.151 10.984 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.087 14.579 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.538 14.646 -2.696 1.00 0.00 H new ATOM 53 N LEU A 4 6.860 10.126 -1.733 1.00 0.00 N ATOM 54 CA LEU A 4 6.010 8.942 -1.810 1.00 0.00 C ATOM 55 C LEU A 4 4.648 9.287 -2.407 1.00 0.00 C ATOM 56 O LEU A 4 3.798 9.876 -1.740 1.00 0.00 O ATOM 57 CB LEU A 4 5.831 8.325 -0.421 1.00 0.00 C ATOM 58 CG LEU A 4 7.086 7.676 0.167 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.909 8.701 0.932 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.710 6.510 1.070 1.00 0.00 C ATOM 0 H LEU A 4 6.366 10.984 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 4 6.498 8.217 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.488 9.101 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.043 7.574 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 4 7.692 7.293 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.797 8.221 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.209 9.503 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.311 9.114 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.615 6.060 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.082 6.869 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.163 5.764 0.493 1.00 0.00 H new ATOM 72 N GLN A 5 4.449 8.915 -3.668 1.00 0.00 N ATOM 73 CA GLN A 5 3.190 9.184 -4.356 1.00 0.00 C ATOM 74 C GLN A 5 2.527 7.886 -4.806 1.00 0.00 C ATOM 75 O GLN A 5 3.143 6.821 -4.781 1.00 0.00 O ATOM 76 CB GLN A 5 3.429 10.096 -5.562 1.00 0.00 C ATOM 77 CG GLN A 5 2.975 11.530 -5.337 1.00 0.00 C ATOM 78 CD GLN A 5 1.791 11.911 -6.204 1.00 0.00 C ATOM 79 OE1 GLN A 5 0.641 11.640 -5.859 1.00 0.00 O ATOM 80 NE2 GLN A 5 2.068 12.543 -7.339 1.00 0.00 N ATOM 0 H GLN A 5 5.143 8.427 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 5 2.522 9.687 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.492 10.093 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.904 9.688 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.710 11.663 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.804 12.206 -5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.036 12.748 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.312 12.824 -7.964 1.00 0.00 H new ATOM 89 N GLU A 6 1.265 7.984 -5.215 1.00 0.00 N ATOM 90 CA GLU A 6 0.512 6.818 -5.669 1.00 0.00 C ATOM 91 C GLU A 6 0.152 6.945 -7.146 1.00 0.00 C ATOM 92 O GLU A 6 0.238 8.028 -7.725 1.00 0.00 O ATOM 93 CB GLU A 6 -0.765 6.646 -4.839 1.00 0.00 C ATOM 94 CG GLU A 6 -0.680 7.244 -3.442 1.00 0.00 C ATOM 95 CD GLU A 6 -1.038 8.717 -3.416 1.00 0.00 C ATOM 96 OE1 GLU A 6 -1.927 9.125 -4.192 1.00 0.00 O ATOM 97 OE2 GLU A 6 -0.428 9.461 -2.619 1.00 0.00 O ATOM 0 H GLU A 6 0.742 8.859 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 6 1.144 5.940 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.597 7.108 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.991 5.583 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.349 6.699 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.331 7.113 -3.055 1.00 0.00 H new ATOM 104 N SER A 7 -0.254 5.832 -7.748 1.00 0.00 N ATOM 105 CA SER A 7 -0.630 5.820 -9.158 1.00 0.00 C ATOM 106 C SER A 7 -1.452 4.579 -9.493 1.00 0.00 C ATOM 107 O SER A 7 -0.952 3.456 -9.431 1.00 0.00 O ATOM 108 CB SER A 7 0.618 5.872 -10.042 1.00 0.00 C ATOM 109 OG SER A 7 1.022 7.211 -10.277 1.00 0.00 O ATOM 0 H SER A 7 -0.331 4.928 -7.283 1.00 0.00 H new ATOM 0 HA SER A 7 -1.241 6.702 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.429 5.323 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.415 5.378 -10.992 1.00 0.00 H new ATOM 0 HG SER A 7 0.842 7.752 -9.480 1.00 0.00 H new ATOM 115 N GLY A 8 -2.716 4.790 -9.850 1.00 0.00 N ATOM 116 CA GLY A 8 -3.585 3.678 -10.191 1.00 0.00 C ATOM 117 C GLY A 8 -4.847 3.644 -9.351 1.00 0.00 C ATOM 118 O GLY A 8 -5.918 3.284 -9.841 1.00 0.00 O ATOM 0 H GLY A 8 -3.153 5.710 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.856 3.744 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.041 2.743 -10.060 1.00 0.00 H new ATOM 122 N GLY A 9 -4.721 4.016 -8.080 1.00 0.00 N ATOM 123 CA GLY A 9 -5.860 4.017 -7.186 1.00 0.00 C ATOM 124 C GLY A 9 -7.060 4.735 -7.762 1.00 0.00 C ATOM 125 O GLY A 9 -6.931 5.788 -8.386 1.00 0.00 O ATOM 0 H GLY A 9 -3.845 4.318 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.135 2.988 -6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.577 4.490 -6.246 1.00 0.00 H new ATOM 129 N GLY A 10 -8.230 4.157 -7.546 1.00 0.00 N ATOM 130 CA GLY A 10 -9.457 4.742 -8.042 1.00 0.00 C ATOM 131 C GLY A 10 -10.680 3.951 -7.628 1.00 0.00 C ATOM 132 O GLY A 10 -10.595 3.042 -6.803 1.00 0.00 O ATOM 0 H GLY A 10 -8.352 3.285 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.545 5.763 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.416 4.800 -9.130 1.00 0.00 H new ATOM 136 N LEU A 11 -11.821 4.310 -8.199 1.00 0.00 N ATOM 137 CA LEU A 11 -13.076 3.651 -7.891 1.00 0.00 C ATOM 138 C LEU A 11 -13.109 2.226 -8.432 1.00 0.00 C ATOM 139 O LEU A 11 -12.412 1.898 -9.392 1.00 0.00 O ATOM 140 CB LEU A 11 -14.233 4.454 -8.472 1.00 0.00 C ATOM 141 CG LEU A 11 -14.199 5.929 -8.099 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.771 6.776 -9.289 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.551 6.386 -7.571 1.00 0.00 C ATOM 0 H LEU A 11 -11.900 5.062 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.172 3.598 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.219 4.362 -9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.173 4.022 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.464 6.060 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.754 7.827 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.776 6.472 -9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.477 6.636 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.502 7.443 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.311 6.236 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.810 5.806 -6.685 1.00 0.00 H new ATOM 155 N VAL A 12 -13.928 1.383 -7.810 1.00 0.00 N ATOM 156 CA VAL A 12 -14.058 -0.007 -8.229 1.00 0.00 C ATOM 157 C VAL A 12 -15.237 -0.678 -7.530 1.00 0.00 C ATOM 158 O VAL A 12 -15.284 -0.748 -6.302 1.00 0.00 O ATOM 159 CB VAL A 12 -12.774 -0.804 -7.939 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.454 -0.785 -6.453 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.900 -2.233 -8.448 1.00 0.00 C ATOM 0 H VAL A 12 -14.512 1.639 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.232 -0.002 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.950 -0.328 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.543 -1.354 -6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.311 0.245 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.279 -1.232 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.981 -2.778 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.738 -2.723 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.071 -2.222 -9.524 1.00 0.00 H new ATOM 171 N GLN A 13 -16.188 -1.166 -8.320 1.00 0.00 N ATOM 172 CA GLN A 13 -17.369 -1.827 -7.776 1.00 0.00 C ATOM 173 C GLN A 13 -16.981 -2.987 -6.863 1.00 0.00 C ATOM 174 O GLN A 13 -15.996 -3.683 -7.110 1.00 0.00 O ATOM 175 CB GLN A 13 -18.266 -2.324 -8.904 1.00 0.00 C ATOM 176 CG GLN A 13 -19.686 -1.783 -8.839 1.00 0.00 C ATOM 177 CD GLN A 13 -20.319 -1.964 -7.472 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.653 -3.079 -7.072 1.00 0.00 O ATOM 179 NE2 GLN A 13 -20.489 -0.864 -6.749 1.00 0.00 N ATOM 0 H GLN A 13 -16.164 -1.116 -9.339 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.918 -1.096 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.823 -2.043 -9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.300 -3.413 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.679 -0.723 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -20.297 -2.287 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.197 0.040 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.911 -0.923 -5.822 1.00 0.00 H new ATOM 188 N ALA A 14 -17.761 -3.185 -5.804 1.00 0.00 N ATOM 189 CA ALA A 14 -17.504 -4.254 -4.848 1.00 0.00 C ATOM 190 C ALA A 14 -17.315 -5.596 -5.549 1.00 0.00 C ATOM 191 O ALA A 14 -18.175 -6.035 -6.313 1.00 0.00 O ATOM 192 CB ALA A 14 -18.638 -4.339 -3.837 1.00 0.00 C ATOM 0 H ALA A 14 -18.579 -2.616 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.577 -4.020 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.434 -5.142 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.719 -3.393 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.574 -4.543 -4.357 1.00 0.00 H new ATOM 198 N GLY A 15 -16.185 -6.242 -5.284 1.00 0.00 N ATOM 199 CA GLY A 15 -15.902 -7.527 -5.896 1.00 0.00 C ATOM 200 C GLY A 15 -15.021 -7.408 -7.126 1.00 0.00 C ATOM 201 O GLY A 15 -14.953 -8.331 -7.938 1.00 0.00 O ATOM 0 H GLY A 15 -15.459 -5.898 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.414 -8.173 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.840 -8.008 -6.171 1.00 0.00 H new ATOM 205 N GLY A 16 -14.345 -6.271 -7.266 1.00 0.00 N ATOM 206 CA GLY A 16 -13.476 -6.064 -8.410 1.00 0.00 C ATOM 207 C GLY A 16 -12.006 -6.141 -8.045 1.00 0.00 C ATOM 208 O GLY A 16 -11.653 -6.593 -6.956 1.00 0.00 O ATOM 0 H GLY A 16 -14.384 -5.492 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.698 -6.813 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.687 -5.090 -8.851 1.00 0.00 H new ATOM 212 N SER A 17 -11.147 -5.698 -8.957 1.00 0.00 N ATOM 213 CA SER A 17 -9.710 -5.717 -8.728 1.00 0.00 C ATOM 214 C SER A 17 -9.093 -4.353 -9.020 1.00 0.00 C ATOM 215 O SER A 17 -9.424 -3.712 -10.018 1.00 0.00 O ATOM 216 CB SER A 17 -9.050 -6.791 -9.594 1.00 0.00 C ATOM 217 OG SER A 17 -7.725 -6.431 -9.948 1.00 0.00 O ATOM 0 H SER A 17 -11.424 -5.321 -9.863 1.00 0.00 H new ATOM 0 HA SER A 17 -9.536 -5.952 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.039 -7.738 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.640 -6.945 -10.497 1.00 0.00 H new ATOM 0 HG SER A 17 -7.330 -7.138 -10.500 1.00 0.00 H new ATOM 223 N LEU A 18 -8.195 -3.915 -8.145 1.00 0.00 N ATOM 224 CA LEU A 18 -7.531 -2.630 -8.308 1.00 0.00 C ATOM 225 C LEU A 18 -6.075 -2.719 -7.865 1.00 0.00 C ATOM 226 O LEU A 18 -5.776 -3.227 -6.786 1.00 0.00 O ATOM 227 CB LEU A 18 -8.261 -1.554 -7.504 1.00 0.00 C ATOM 228 CG LEU A 18 -7.608 -0.173 -7.534 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.242 0.694 -8.610 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.714 0.498 -6.174 1.00 0.00 C ATOM 0 H LEU A 18 -7.910 -4.433 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.555 -2.360 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.279 -1.466 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.334 -1.883 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.552 -0.298 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.764 1.674 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.111 0.220 -9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.306 0.811 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.243 1.480 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.764 0.610 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.211 -0.114 -5.426 1.00 0.00 H new ATOM 242 N ARG A 19 -5.172 -2.229 -8.707 1.00 0.00 N ATOM 243 CA ARG A 19 -3.747 -2.262 -8.401 1.00 0.00 C ATOM 244 C ARG A 19 -3.199 -0.856 -8.174 1.00 0.00 C ATOM 245 O ARG A 19 -3.458 0.056 -8.959 1.00 0.00 O ATOM 246 CB ARG A 19 -2.980 -2.943 -9.535 1.00 0.00 C ATOM 247 CG ARG A 19 -1.480 -3.014 -9.303 1.00 0.00 C ATOM 248 CD ARG A 19 -0.758 -1.833 -9.932 1.00 0.00 C ATOM 249 NE ARG A 19 -0.067 -2.208 -11.165 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.576 -2.048 -12.386 1.00 0.00 C ATOM 251 NH1 ARG A 19 -1.775 -1.502 -12.553 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.120 -2.433 -13.447 1.00 0.00 N ATOM 0 H ARG A 19 -5.401 -1.805 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.613 -2.833 -7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.366 -3.954 -9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.170 -2.405 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.278 -3.036 -8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.091 -3.943 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.476 -1.041 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.038 -1.428 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 19 0.864 -2.618 -11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.316 -1.201 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.155 -1.384 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.043 -2.851 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.268 -2.312 -14.383 1.00 0.00 H new ATOM 266 N LEU A 20 -2.434 -0.690 -7.099 1.00 0.00 N ATOM 267 CA LEU A 20 -1.844 0.605 -6.776 1.00 0.00 C ATOM 268 C LEU A 20 -0.322 0.528 -6.813 1.00 0.00 C ATOM 269 O LEU A 20 0.273 -0.414 -6.293 1.00 0.00 O ATOM 270 CB LEU A 20 -2.307 1.083 -5.399 1.00 0.00 C ATOM 271 CG LEU A 20 -3.742 0.705 -5.029 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.118 1.293 -3.676 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.708 1.172 -6.107 1.00 0.00 C ATOM 0 H LEU A 20 -2.209 -1.434 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.178 1.322 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.634 0.675 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.211 2.168 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.807 -0.381 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.142 1.013 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.443 0.908 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.038 2.379 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.725 0.895 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.642 2.255 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.450 0.701 -7.055 1.00 0.00 H new ATOM 285 N SER A 21 0.296 1.529 -7.431 1.00 0.00 N ATOM 286 CA SER A 21 1.749 1.589 -7.548 1.00 0.00 C ATOM 287 C SER A 21 2.293 2.846 -6.882 1.00 0.00 C ATOM 288 O SER A 21 2.161 3.949 -7.413 1.00 0.00 O ATOM 289 CB SER A 21 2.163 1.561 -9.017 1.00 0.00 C ATOM 290 OG SER A 21 1.222 0.848 -9.801 1.00 0.00 O ATOM 0 H SER A 21 -0.191 2.315 -7.861 1.00 0.00 H new ATOM 0 HA SER A 21 2.167 0.718 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.254 2.581 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.145 1.098 -9.112 1.00 0.00 H new ATOM 0 HG SER A 21 1.511 0.846 -10.737 1.00 0.00 H new ATOM 296 N CYS A 22 2.907 2.675 -5.717 1.00 0.00 N ATOM 297 CA CYS A 22 3.471 3.800 -4.983 1.00 0.00 C ATOM 298 C CYS A 22 4.987 3.829 -5.123 1.00 0.00 C ATOM 299 O CYS A 22 5.680 2.914 -4.677 1.00 0.00 O ATOM 300 CB CYS A 22 3.076 3.726 -3.508 1.00 0.00 C ATOM 301 SG CYS A 22 1.749 4.883 -3.040 1.00 0.00 S ATOM 0 H CYS A 22 3.027 1.770 -5.262 1.00 0.00 H new ATOM 0 HA CYS A 22 3.069 4.720 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.756 2.710 -3.278 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.955 3.930 -2.896 1.00 0.00 H new ATOM 306 N ALA A 23 5.496 4.884 -5.748 1.00 0.00 N ATOM 307 CA ALA A 23 6.931 5.033 -5.953 1.00 0.00 C ATOM 308 C ALA A 23 7.567 5.855 -4.838 1.00 0.00 C ATOM 309 O ALA A 23 6.900 6.658 -4.186 1.00 0.00 O ATOM 310 CB ALA A 23 7.206 5.672 -7.306 1.00 0.00 C ATOM 0 H ALA A 23 4.935 5.650 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 23 7.379 4.040 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.282 5.778 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.797 5.042 -8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.737 6.655 -7.346 1.00 0.00 H new ATOM 316 N ALA A 24 8.862 5.646 -4.625 1.00 0.00 N ATOM 317 CA ALA A 24 9.594 6.364 -3.590 1.00 0.00 C ATOM 318 C ALA A 24 11.095 6.129 -3.721 1.00 0.00 C ATOM 319 O ALA A 24 11.648 5.223 -3.097 1.00 0.00 O ATOM 320 CB ALA A 24 9.108 5.942 -2.212 1.00 0.00 C ATOM 0 H ALA A 24 9.426 4.984 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 24 9.407 7.430 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.663 6.486 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.045 6.166 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.266 4.871 -2.082 1.00 0.00 H new ATOM 414 N TYR A 32 14.381 0.884 4.739 1.00 0.00 N ATOM 415 CA TYR A 32 13.328 1.722 4.179 1.00 0.00 C ATOM 416 C TYR A 32 12.324 0.887 3.391 1.00 0.00 C ATOM 417 O TYR A 32 12.204 1.024 2.173 1.00 0.00 O ATOM 418 CB TYR A 32 13.937 2.796 3.277 1.00 0.00 C ATOM 419 CG TYR A 32 12.954 3.860 2.844 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.660 4.938 3.669 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.322 3.786 1.609 1.00 0.00 C ATOM 422 CE1 TYR A 32 11.763 5.914 3.275 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.425 4.758 1.208 1.00 0.00 C ATOM 424 CZ TYR A 32 11.149 5.819 2.045 1.00 0.00 C ATOM 425 OH TYR A 32 10.257 6.788 1.648 1.00 0.00 O ATOM 0 HA TYR A 32 12.800 2.201 5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.765 3.272 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.355 2.318 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.140 5.015 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.535 2.956 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.545 6.746 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.943 4.687 0.244 1.00 0.00 H new ATOM 0 HH TYR A 32 10.098 6.711 0.684 1.00 0.00 H new ATOM 435 N ASP A 33 11.601 0.025 4.096 1.00 0.00 N ATOM 436 CA ASP A 33 10.602 -0.831 3.468 1.00 0.00 C ATOM 437 C ASP A 33 9.491 0.006 2.840 1.00 0.00 C ATOM 438 O ASP A 33 9.556 1.235 2.836 1.00 0.00 O ATOM 439 CB ASP A 33 10.010 -1.797 4.497 1.00 0.00 C ATOM 440 CG ASP A 33 11.053 -2.731 5.078 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.953 -3.159 4.325 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.971 -3.034 6.287 1.00 0.00 O ATOM 0 H ASP A 33 11.688 -0.100 5.105 1.00 0.00 H new ATOM 0 HA ASP A 33 11.091 -1.405 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.547 -1.227 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.221 -2.385 4.028 1.00 0.00 H new ATOM 447 N MET A 34 8.474 -0.666 2.310 1.00 0.00 N ATOM 448 CA MET A 34 7.352 0.023 1.682 1.00 0.00 C ATOM 449 C MET A 34 6.055 -0.754 1.890 1.00 0.00 C ATOM 450 O MET A 34 5.967 -1.931 1.547 1.00 0.00 O ATOM 451 CB MET A 34 7.617 0.212 0.186 1.00 0.00 C ATOM 452 CG MET A 34 7.911 1.652 -0.201 1.00 0.00 C ATOM 453 SD MET A 34 7.240 2.087 -1.818 1.00 0.00 S ATOM 454 CE MET A 34 6.573 3.714 -1.480 1.00 0.00 C ATOM 0 H MET A 34 8.404 -1.684 2.303 1.00 0.00 H new ATOM 0 HA MET A 34 7.247 1.002 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.460 -0.414 -0.107 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.750 -0.137 -0.375 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.493 2.319 0.553 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.989 1.810 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.432 4.251 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.615 3.616 -0.970 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.266 4.267 -0.846 1.00 0.00 H new ATOM 464 N GLY A 35 5.052 -0.089 2.456 1.00 0.00 N ATOM 465 CA GLY A 35 3.780 -0.745 2.698 1.00 0.00 C ATOM 466 C GLY A 35 2.599 0.195 2.584 1.00 0.00 C ATOM 467 O GLY A 35 2.722 1.394 2.839 1.00 0.00 O ATOM 0 H GLY A 35 5.097 0.887 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.657 -1.562 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.790 -1.188 3.694 1.00 0.00 H new ATOM 471 N TRP A 36 1.452 -0.351 2.195 1.00 0.00 N ATOM 472 CA TRP A 36 0.243 0.435 2.040 1.00 0.00 C ATOM 473 C TRP A 36 -0.575 0.453 3.323 1.00 0.00 C ATOM 474 O TRP A 36 -0.504 -0.468 4.139 1.00 0.00 O ATOM 475 CB TRP A 36 -0.596 -0.127 0.905 1.00 0.00 C ATOM 476 CG TRP A 36 0.054 -0.014 -0.440 1.00 0.00 C ATOM 477 CD1 TRP A 36 1.022 -0.829 -0.953 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.219 0.969 -1.445 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.366 -0.413 -2.217 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.620 0.689 -2.541 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.092 2.058 -1.525 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.610 1.458 -3.703 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.100 2.821 -2.678 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.256 2.517 -3.753 1.00 0.00 C ATOM 0 H TRP A 36 1.339 -1.342 1.981 1.00 0.00 H new ATOM 0 HA TRP A 36 0.535 1.460 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.809 -1.176 1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.553 0.394 0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.454 -1.676 -0.441 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.064 -0.854 -2.817 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.748 2.299 -0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.261 1.227 -4.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.769 3.666 -2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.289 3.131 -4.641 1.00 0.00 H new ATOM 495 N PHE A 37 -1.351 1.514 3.489 1.00 0.00 N ATOM 496 CA PHE A 37 -2.187 1.682 4.657 1.00 0.00 C ATOM 497 C PHE A 37 -3.591 2.109 4.246 1.00 0.00 C ATOM 498 O PHE A 37 -3.894 2.218 3.057 1.00 0.00 O ATOM 499 CB PHE A 37 -1.574 2.734 5.574 1.00 0.00 C ATOM 500 CG PHE A 37 -0.575 2.186 6.553 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.614 1.626 6.113 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.822 2.241 7.916 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.537 1.129 7.014 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.098 1.746 8.821 1.00 0.00 C ATOM 505 CZ PHE A 37 1.279 1.190 8.370 1.00 0.00 C ATOM 0 H PHE A 37 -1.415 2.278 2.817 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.253 0.731 5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.088 3.495 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.373 3.230 6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.822 1.577 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.743 2.675 8.275 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.459 0.693 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.107 1.794 9.880 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.999 0.804 9.076 1.00 0.00 H new ATOM 515 N ARG A 38 -4.442 2.354 5.232 1.00 0.00 N ATOM 516 CA ARG A 38 -5.810 2.775 4.972 1.00 0.00 C ATOM 517 C ARG A 38 -6.381 3.525 6.170 1.00 0.00 C ATOM 518 O ARG A 38 -5.879 3.401 7.287 1.00 0.00 O ATOM 519 CB ARG A 38 -6.682 1.564 4.647 1.00 0.00 C ATOM 520 CG ARG A 38 -6.778 0.556 5.781 1.00 0.00 C ATOM 521 CD ARG A 38 -7.242 -0.802 5.280 1.00 0.00 C ATOM 522 NE ARG A 38 -7.962 -1.549 6.309 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.151 -2.865 6.274 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.684 -3.582 5.259 1.00 0.00 N ATOM 525 NH2 ARG A 38 -8.810 -3.468 7.255 1.00 0.00 N ATOM 0 H ARG A 38 -4.208 2.268 6.221 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.804 3.448 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.685 1.908 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.282 1.066 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.805 0.455 6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.472 0.923 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.887 -0.667 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.379 -1.380 4.949 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.342 -1.031 7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.178 -3.124 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.832 -4.591 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.172 -2.922 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.954 -4.477 7.227 1.00 0.00 H new ATOM 539 N GLN A 39 -7.431 4.306 5.933 1.00 0.00 N ATOM 540 CA GLN A 39 -8.060 5.074 7.001 1.00 0.00 C ATOM 541 C GLN A 39 -9.459 5.532 6.601 1.00 0.00 C ATOM 542 O GLN A 39 -9.667 6.044 5.501 1.00 0.00 O ATOM 543 CB GLN A 39 -7.199 6.287 7.357 1.00 0.00 C ATOM 544 CG GLN A 39 -7.629 6.986 8.636 1.00 0.00 C ATOM 545 CD GLN A 39 -6.452 7.418 9.487 1.00 0.00 C ATOM 546 OE1 GLN A 39 -5.318 7.481 9.013 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.715 7.719 10.754 1.00 0.00 N ATOM 0 H GLN A 39 -7.862 4.423 5.016 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.148 4.426 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.162 5.968 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.234 7.001 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.231 7.859 8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.265 6.317 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.670 7.653 11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.962 8.016 11.375 1.00 0.00 H new ATOM 556 N ALA A 40 -10.413 5.351 7.509 1.00 0.00 N ATOM 557 CA ALA A 40 -11.794 5.751 7.263 1.00 0.00 C ATOM 558 C ALA A 40 -12.173 6.941 8.140 1.00 0.00 C ATOM 559 O ALA A 40 -11.447 7.288 9.072 1.00 0.00 O ATOM 560 CB ALA A 40 -12.735 4.581 7.514 1.00 0.00 C ATOM 0 H ALA A 40 -10.254 4.929 8.424 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.886 6.053 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.762 4.894 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.479 3.758 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.639 4.252 8.549 1.00 0.00 H new ATOM 566 N PRO A 41 -13.317 7.588 7.856 1.00 0.00 N ATOM 567 CA PRO A 41 -13.775 8.743 8.631 1.00 0.00 C ATOM 568 C PRO A 41 -14.199 8.362 10.038 1.00 0.00 C ATOM 569 O PRO A 41 -14.839 7.333 10.251 1.00 0.00 O ATOM 570 CB PRO A 41 -14.963 9.271 7.826 1.00 0.00 C ATOM 571 CG PRO A 41 -15.458 8.091 7.062 1.00 0.00 C ATOM 572 CD PRO A 41 -14.246 7.249 6.763 1.00 0.00 C ATOM 0 HA PRO A 41 -12.985 9.481 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.737 9.672 8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.661 10.077 7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -16.189 7.529 7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.953 8.402 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.487 6.186 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.822 7.487 5.787 1.00 0.00 H new ATOM 580 N GLY A 42 -13.810 9.192 11.000 1.00 0.00 N ATOM 581 CA GLY A 42 -14.131 8.916 12.383 1.00 0.00 C ATOM 582 C GLY A 42 -13.384 7.700 12.899 1.00 0.00 C ATOM 583 O GLY A 42 -13.603 7.261 14.028 1.00 0.00 O ATOM 0 H GLY A 42 -13.279 10.049 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.882 9.783 12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.204 8.753 12.482 1.00 0.00 H new ATOM 587 N LYS A 43 -12.505 7.147 12.062 1.00 0.00 N ATOM 588 CA LYS A 43 -11.735 5.972 12.427 1.00 0.00 C ATOM 589 C LYS A 43 -10.252 6.308 12.560 1.00 0.00 C ATOM 590 O LYS A 43 -9.850 7.462 12.411 1.00 0.00 O ATOM 591 CB LYS A 43 -11.932 4.899 11.364 1.00 0.00 C ATOM 592 CG LYS A 43 -11.850 3.478 11.899 1.00 0.00 C ATOM 593 CD LYS A 43 -13.144 2.715 11.664 1.00 0.00 C ATOM 594 CE LYS A 43 -12.908 1.213 11.633 1.00 0.00 C ATOM 595 NZ LYS A 43 -14.173 0.455 11.423 1.00 0.00 N ATOM 0 H LYS A 43 -12.313 7.501 11.125 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.084 5.608 13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.904 5.043 10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.178 5.028 10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.025 2.954 11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.630 3.503 12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.858 2.956 12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.590 3.034 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.204 0.973 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.448 0.899 12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.968 -0.565 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.835 0.664 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.600 0.736 10.517 1.00 0.00 H new ATOM 609 N GLU A 44 -9.445 5.289 12.834 1.00 0.00 N ATOM 610 CA GLU A 44 -8.007 5.468 12.980 1.00 0.00 C ATOM 611 C GLU A 44 -7.278 5.000 11.724 1.00 0.00 C ATOM 612 O GLU A 44 -7.906 4.693 10.711 1.00 0.00 O ATOM 613 CB GLU A 44 -7.496 4.700 14.200 1.00 0.00 C ATOM 614 CG GLU A 44 -7.692 3.196 14.100 1.00 0.00 C ATOM 615 CD GLU A 44 -6.642 2.418 14.869 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.001 3.010 15.763 1.00 0.00 O ATOM 617 OE2 GLU A 44 -6.460 1.217 14.578 1.00 0.00 O ATOM 0 H GLU A 44 -9.764 4.328 12.960 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.807 6.530 13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.435 4.911 14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.008 5.066 15.090 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.681 2.936 14.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.664 2.899 13.052 1.00 0.00 H new ATOM 624 N ARG A 45 -5.953 4.948 11.795 1.00 0.00 N ATOM 625 CA ARG A 45 -5.147 4.518 10.658 1.00 0.00 C ATOM 626 C ARG A 45 -4.701 3.066 10.817 1.00 0.00 C ATOM 627 O ARG A 45 -4.149 2.684 11.849 1.00 0.00 O ATOM 628 CB ARG A 45 -3.929 5.435 10.492 1.00 0.00 C ATOM 629 CG ARG A 45 -2.760 5.085 11.402 1.00 0.00 C ATOM 630 CD ARG A 45 -1.670 6.146 11.352 1.00 0.00 C ATOM 631 NE ARG A 45 -1.407 6.601 9.988 1.00 0.00 N ATOM 632 CZ ARG A 45 -2.009 7.644 9.420 1.00 0.00 C ATOM 633 NH1 ARG A 45 -2.918 8.344 10.086 1.00 0.00 N ATOM 634 NH2 ARG A 45 -1.700 7.986 8.177 1.00 0.00 N ATOM 0 H ARG A 45 -5.415 5.197 12.625 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.764 4.585 9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.594 5.393 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.232 6.464 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.116 4.977 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.344 4.122 11.106 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.964 6.997 11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.753 5.744 11.782 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.719 6.087 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.161 8.085 11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.374 9.141 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.003 7.451 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.159 8.784 7.739 1.00 0.00 H new ATOM 648 N GLU A 46 -4.939 2.264 9.785 1.00 0.00 N ATOM 649 CA GLU A 46 -4.559 0.856 9.801 1.00 0.00 C ATOM 650 C GLU A 46 -3.813 0.495 8.522 1.00 0.00 C ATOM 651 O GLU A 46 -4.077 1.060 7.464 1.00 0.00 O ATOM 652 CB GLU A 46 -5.799 -0.027 9.952 1.00 0.00 C ATOM 653 CG GLU A 46 -6.784 0.107 8.803 1.00 0.00 C ATOM 654 CD GLU A 46 -8.227 0.123 9.271 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.484 0.621 10.387 1.00 0.00 O ATOM 656 OE2 GLU A 46 -9.100 -0.364 8.521 1.00 0.00 O ATOM 0 H GLU A 46 -5.395 2.566 8.924 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.900 0.685 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.486 -1.068 10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.304 0.226 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.574 1.025 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.640 -0.720 8.108 1.00 0.00 H new ATOM 663 N SER A 47 -2.878 -0.442 8.621 1.00 0.00 N ATOM 664 CA SER A 47 -2.103 -0.858 7.467 1.00 0.00 C ATOM 665 C SER A 47 -2.861 -1.883 6.639 1.00 0.00 C ATOM 666 O SER A 47 -3.948 -2.325 7.009 1.00 0.00 O ATOM 667 CB SER A 47 -0.759 -1.436 7.909 1.00 0.00 C ATOM 668 OG SER A 47 -0.153 -2.189 6.872 1.00 0.00 O ATOM 0 H SER A 47 -2.641 -0.925 9.488 1.00 0.00 H new ATOM 0 HA SER A 47 -1.927 0.021 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.094 -0.626 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.904 -2.070 8.784 1.00 0.00 H new ATOM 0 HG SER A 47 0.705 -2.544 7.184 1.00 0.00 H new ATOM 674 N VAL A 48 -2.267 -2.252 5.519 1.00 0.00 N ATOM 675 CA VAL A 48 -2.861 -3.230 4.614 1.00 0.00 C ATOM 676 C VAL A 48 -1.843 -4.286 4.201 1.00 0.00 C ATOM 677 O VAL A 48 -1.974 -5.458 4.552 1.00 0.00 O ATOM 678 CB VAL A 48 -3.430 -2.563 3.350 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.383 -3.505 2.631 1.00 0.00 C ATOM 680 CG2 VAL A 48 -4.121 -1.251 3.695 1.00 0.00 C ATOM 0 H VAL A 48 -1.366 -1.888 5.209 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.676 -3.705 5.160 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.601 -2.340 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.775 -3.015 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.850 -4.411 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.208 -3.765 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.515 -0.797 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.939 -1.442 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.404 -0.573 4.157 1.00 0.00 H new ATOM 690 N ALA A 49 -0.827 -3.864 3.454 1.00 0.00 N ATOM 691 CA ALA A 49 0.212 -4.777 2.997 1.00 0.00 C ATOM 692 C ALA A 49 1.558 -4.074 2.900 1.00 0.00 C ATOM 693 O ALA A 49 1.698 -3.065 2.210 1.00 0.00 O ATOM 694 CB ALA A 49 -0.169 -5.383 1.655 1.00 0.00 C ATOM 0 H ALA A 49 -0.702 -2.897 3.154 1.00 0.00 H new ATOM 0 HA ALA A 49 0.304 -5.578 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.617 -6.063 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.105 -5.932 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.292 -4.589 0.919 1.00 0.00 H new ATOM 700 N ALA A 50 2.545 -4.615 3.603 1.00 0.00 N ATOM 701 CA ALA A 50 3.884 -4.045 3.606 1.00 0.00 C ATOM 702 C ALA A 50 4.901 -5.031 3.047 1.00 0.00 C ATOM 703 O ALA A 50 4.743 -6.240 3.184 1.00 0.00 O ATOM 704 CB ALA A 50 4.264 -3.627 5.017 1.00 0.00 C ATOM 0 H ALA A 50 2.442 -5.450 4.180 1.00 0.00 H new ATOM 0 HA ALA A 50 3.887 -3.165 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.267 -3.201 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.555 -2.882 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.242 -4.497 5.673 1.00 0.00 H new ATOM 710 N ILE A 51 5.942 -4.513 2.412 1.00 0.00 N ATOM 711 CA ILE A 51 6.970 -5.364 1.834 1.00 0.00 C ATOM 712 C ILE A 51 8.369 -4.869 2.185 1.00 0.00 C ATOM 713 O ILE A 51 8.603 -3.664 2.304 1.00 0.00 O ATOM 714 CB ILE A 51 6.827 -5.441 0.303 1.00 0.00 C ATOM 715 CG1 ILE A 51 7.790 -6.480 -0.272 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.067 -4.078 -0.330 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.229 -7.231 -1.460 1.00 0.00 C ATOM 0 H ILE A 51 6.096 -3.513 2.285 1.00 0.00 H new ATOM 0 HA ILE A 51 6.834 -6.359 2.258 1.00 0.00 H new ATOM 0 HB ILE A 51 5.808 -5.749 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.713 -5.983 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.050 -7.194 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.961 -4.156 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.339 -3.364 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.073 -3.736 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.966 -7.951 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.322 -7.757 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.995 -6.527 -2.258 1.00 0.00 H new ATOM 729 N ASN A 52 9.295 -5.809 2.345 1.00 0.00 N ATOM 730 CA ASN A 52 10.672 -5.481 2.679 1.00 0.00 C ATOM 731 C ASN A 52 11.373 -4.810 1.502 1.00 0.00 C ATOM 732 O ASN A 52 10.745 -4.499 0.490 1.00 0.00 O ATOM 733 CB ASN A 52 11.422 -6.743 3.087 1.00 0.00 C ATOM 734 CG ASN A 52 11.404 -6.968 4.586 1.00 0.00 C ATOM 735 OD1 ASN A 52 10.821 -6.184 5.336 1.00 0.00 O ATOM 736 ND2 ASN A 52 12.045 -8.043 5.032 1.00 0.00 N ATOM 0 H ASN A 52 9.113 -6.808 2.248 1.00 0.00 H new ATOM 0 HA ASN A 52 10.666 -4.781 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.977 -7.604 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.455 -6.675 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.067 -8.245 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.515 -8.666 4.375 1.00 0.00 H new ATOM 800 N ARG A 57 10.232 -10.681 2.902 1.00 0.00 N ATOM 801 CA ARG A 57 9.030 -10.985 3.670 1.00 0.00 C ATOM 802 C ARG A 57 8.051 -9.817 3.625 1.00 0.00 C ATOM 803 O ARG A 57 8.448 -8.658 3.751 1.00 0.00 O ATOM 804 CB ARG A 57 9.393 -11.303 5.121 1.00 0.00 C ATOM 805 CG ARG A 57 10.479 -12.356 5.262 1.00 0.00 C ATOM 806 CD ARG A 57 10.676 -12.761 6.714 1.00 0.00 C ATOM 807 NE ARG A 57 9.454 -13.307 7.300 1.00 0.00 N ATOM 808 CZ ARG A 57 9.379 -13.797 8.535 1.00 0.00 C ATOM 809 NH1 ARG A 57 10.452 -13.812 9.316 1.00 0.00 N ATOM 810 NH2 ARG A 57 8.229 -14.274 8.991 1.00 0.00 N ATOM 0 HA ARG A 57 8.553 -11.857 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.721 -10.387 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.499 -11.643 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.216 -13.233 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.416 -11.970 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.472 -13.503 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.000 -11.895 7.291 1.00 0.00 H new ATOM 0 HE ARG A 57 8.609 -13.313 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.339 -13.447 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.389 -14.189 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.401 -14.266 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.172 -14.649 9.938 1.00 0.00 H new ATOM 824 N THR A 58 6.772 -10.127 3.444 1.00 0.00 N ATOM 825 CA THR A 58 5.743 -9.102 3.383 1.00 0.00 C ATOM 826 C THR A 58 4.966 -9.037 4.695 1.00 0.00 C ATOM 827 O THR A 58 5.220 -9.810 5.619 1.00 0.00 O ATOM 828 CB THR A 58 4.793 -9.375 2.215 1.00 0.00 C ATOM 829 OG1 THR A 58 5.241 -10.478 1.447 1.00 0.00 O ATOM 830 CG2 THR A 58 4.644 -8.197 1.278 1.00 0.00 C ATOM 0 H THR A 58 6.426 -11.080 3.337 1.00 0.00 H new ATOM 0 HA THR A 58 6.227 -8.138 3.225 1.00 0.00 H new ATOM 0 HB THR A 58 3.826 -9.581 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.618 -10.636 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.957 -8.457 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.251 -7.342 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.617 -7.942 0.857 1.00 0.00 H new ATOM 838 N TYR A 59 4.024 -8.106 4.768 1.00 0.00 N ATOM 839 CA TYR A 59 3.210 -7.927 5.962 1.00 0.00 C ATOM 840 C TYR A 59 1.764 -7.626 5.587 1.00 0.00 C ATOM 841 O TYR A 59 1.387 -6.469 5.406 1.00 0.00 O ATOM 842 CB TYR A 59 3.778 -6.791 6.812 1.00 0.00 C ATOM 843 CG TYR A 59 2.939 -6.452 8.024 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.036 -7.197 9.192 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.049 -5.386 7.997 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.269 -6.888 10.300 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.279 -5.071 9.101 1.00 0.00 C ATOM 848 CZ TYR A 59 1.393 -5.825 10.249 1.00 0.00 C ATOM 849 OH TYR A 59 0.628 -5.514 11.350 1.00 0.00 O ATOM 0 H TYR A 59 3.804 -7.460 4.010 1.00 0.00 H new ATOM 0 HA TYR A 59 3.231 -8.852 6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.781 -7.064 7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.878 -5.901 6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.721 -8.031 9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.957 -4.793 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.356 -7.477 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.592 -4.239 9.064 1.00 0.00 H new ATOM 0 HH TYR A 59 0.065 -4.738 11.148 1.00 0.00 H new ATOM 859 N TYR A 60 0.959 -8.675 5.467 1.00 0.00 N ATOM 860 CA TYR A 60 -0.442 -8.528 5.109 1.00 0.00 C ATOM 861 C TYR A 60 -1.273 -8.096 6.313 1.00 0.00 C ATOM 862 O TYR A 60 -0.864 -8.279 7.460 1.00 0.00 O ATOM 863 CB TYR A 60 -0.976 -9.846 4.557 1.00 0.00 C ATOM 864 CG TYR A 60 -0.437 -10.200 3.188 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.930 -10.318 2.966 1.00 0.00 C ATOM 866 CD2 TYR A 60 -1.296 -10.419 2.119 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.425 -10.643 1.718 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.808 -10.746 0.868 1.00 0.00 C ATOM 869 CZ TYR A 60 0.552 -10.857 0.672 1.00 0.00 C ATOM 870 OH TYR A 60 1.040 -11.182 -0.572 1.00 0.00 O ATOM 0 H TYR A 60 1.256 -9.640 5.614 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.520 -7.755 4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.728 -10.647 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.064 -9.793 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.617 -10.153 3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.362 -10.332 2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.490 -10.729 1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.489 -10.914 0.047 1.00 0.00 H new ATOM 0 HH TYR A 60 0.421 -10.860 -1.260 1.00 0.00 H new ATOM 880 N ALA A 61 -2.442 -7.522 6.044 1.00 0.00 N ATOM 881 CA ALA A 61 -3.332 -7.065 7.104 1.00 0.00 C ATOM 882 C ALA A 61 -4.611 -7.896 7.145 1.00 0.00 C ATOM 883 O ALA A 61 -4.909 -8.647 6.214 1.00 0.00 O ATOM 884 CB ALA A 61 -3.663 -5.592 6.916 1.00 0.00 C ATOM 0 H ALA A 61 -2.794 -7.363 5.100 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.817 -7.192 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.328 -5.264 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.744 -5.006 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.154 -5.449 5.953 1.00 0.00 H new ATOM 890 N SER A 62 -5.366 -7.759 8.229 1.00 0.00 N ATOM 891 CA SER A 62 -6.608 -8.500 8.387 1.00 0.00 C ATOM 892 C SER A 62 -7.664 -7.998 7.411 1.00 0.00 C ATOM 893 O SER A 62 -7.639 -6.839 6.998 1.00 0.00 O ATOM 894 CB SER A 62 -7.123 -8.382 9.823 1.00 0.00 C ATOM 895 OG SER A 62 -8.002 -9.448 10.140 1.00 0.00 O ATOM 0 H SER A 62 -5.139 -7.142 9.009 1.00 0.00 H new ATOM 0 HA SER A 62 -6.406 -9.549 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.281 -8.383 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.640 -7.431 9.950 1.00 0.00 H new ATOM 0 HG SER A 62 -8.315 -9.350 11.063 1.00 0.00 H new ATOM 901 N SER A 63 -8.575 -8.892 7.033 1.00 0.00 N ATOM 902 CA SER A 63 -9.641 -8.573 6.084 1.00 0.00 C ATOM 903 C SER A 63 -9.147 -8.731 4.647 1.00 0.00 C ATOM 904 O SER A 63 -9.939 -8.712 3.704 1.00 0.00 O ATOM 905 CB SER A 63 -10.175 -7.153 6.305 1.00 0.00 C ATOM 906 OG SER A 63 -10.242 -6.842 7.686 1.00 0.00 O ATOM 0 H SER A 63 -8.596 -9.853 7.373 1.00 0.00 H new ATOM 0 HA SER A 63 -10.458 -9.274 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.529 -6.436 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.166 -7.060 5.860 1.00 0.00 H new ATOM 0 HG SER A 63 -10.584 -5.931 7.800 1.00 0.00 H new ATOM 912 N VAL A 64 -7.834 -8.893 4.486 1.00 0.00 N ATOM 913 CA VAL A 64 -7.238 -9.060 3.167 1.00 0.00 C ATOM 914 C VAL A 64 -5.938 -9.861 3.242 1.00 0.00 C ATOM 915 O VAL A 64 -5.141 -9.851 2.304 1.00 0.00 O ATOM 916 CB VAL A 64 -6.953 -7.698 2.505 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.241 -6.905 2.341 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.933 -6.910 3.315 1.00 0.00 C ATOM 0 H VAL A 64 -7.165 -8.912 5.255 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.960 -9.607 2.562 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.534 -7.878 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.021 -5.946 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.935 -7.464 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.691 -6.736 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.746 -5.952 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.320 -6.739 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.002 -7.474 3.375 1.00 0.00 H new ATOM 928 N ARG A 65 -5.724 -10.551 4.362 1.00 0.00 N ATOM 929 CA ARG A 65 -4.528 -11.342 4.552 1.00 0.00 C ATOM 930 C ARG A 65 -4.545 -12.570 3.662 1.00 0.00 C ATOM 931 O ARG A 65 -4.855 -13.678 4.099 1.00 0.00 O ATOM 932 CB ARG A 65 -4.401 -11.746 6.015 1.00 0.00 C ATOM 933 CG ARG A 65 -2.965 -11.845 6.495 1.00 0.00 C ATOM 934 CD ARG A 65 -2.744 -13.072 7.367 1.00 0.00 C ATOM 935 NE ARG A 65 -1.557 -13.820 6.962 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.318 -13.341 7.040 1.00 0.00 C ATOM 937 NH1 ARG A 65 -0.098 -12.126 7.526 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.706 -14.081 6.636 1.00 0.00 N ATOM 0 H ARG A 65 -6.372 -10.572 5.150 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.664 -10.738 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.932 -11.020 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.892 -12.708 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.296 -11.885 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.707 -10.948 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.642 -12.764 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.619 -13.720 7.310 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.685 -14.764 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.881 -11.554 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.854 -11.764 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.544 -15.017 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.656 -13.714 6.696 1.00 0.00 H new ATOM 952 N GLY A 66 -4.215 -12.345 2.406 1.00 0.00 N ATOM 953 CA GLY A 66 -4.192 -13.410 1.428 1.00 0.00 C ATOM 954 C GLY A 66 -5.078 -13.103 0.238 1.00 0.00 C ATOM 955 O GLY A 66 -5.225 -13.926 -0.666 1.00 0.00 O ATOM 0 H GLY A 66 -3.958 -11.429 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.169 -13.568 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.520 -14.339 1.895 1.00 0.00 H new ATOM 959 N ARG A 67 -5.675 -11.913 0.242 1.00 0.00 N ATOM 960 CA ARG A 67 -6.559 -11.498 -0.842 1.00 0.00 C ATOM 961 C ARG A 67 -5.908 -10.418 -1.703 1.00 0.00 C ATOM 962 O ARG A 67 -6.134 -10.355 -2.911 1.00 0.00 O ATOM 963 CB ARG A 67 -7.885 -10.986 -0.273 1.00 0.00 C ATOM 964 CG ARG A 67 -8.369 -11.768 0.942 1.00 0.00 C ATOM 965 CD ARG A 67 -9.724 -11.279 1.437 1.00 0.00 C ATOM 966 NE ARG A 67 -10.484 -10.597 0.393 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.260 -11.222 -0.491 1.00 0.00 C ATOM 968 NH1 ARG A 67 -11.367 -12.544 -0.477 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.926 -10.520 -1.397 1.00 0.00 N ATOM 0 H ARG A 67 -5.562 -11.221 0.983 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.749 -12.366 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.772 -9.937 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.647 -11.032 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.437 -12.826 0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.637 -11.679 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.300 -12.127 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.578 -10.601 2.278 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.417 -9.581 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.853 -13.090 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.963 -13.015 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.844 -9.504 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.521 -10.996 -2.075 1.00 0.00 H new ATOM 983 N PHE A 68 -5.104 -9.568 -1.073 1.00 0.00 N ATOM 984 CA PHE A 68 -4.426 -8.489 -1.783 1.00 0.00 C ATOM 985 C PHE A 68 -3.006 -8.893 -2.173 1.00 0.00 C ATOM 986 O PHE A 68 -2.222 -9.332 -1.333 1.00 0.00 O ATOM 987 CB PHE A 68 -4.385 -7.228 -0.914 1.00 0.00 C ATOM 988 CG PHE A 68 -5.709 -6.519 -0.785 1.00 0.00 C ATOM 989 CD1 PHE A 68 -6.882 -7.093 -1.258 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.777 -5.271 -0.185 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.091 -6.435 -1.134 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.984 -4.609 -0.060 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.142 -5.192 -0.535 1.00 0.00 C ATOM 0 H PHE A 68 -4.906 -9.605 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.987 -8.282 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.033 -7.498 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.655 -6.536 -1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.849 -8.065 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.875 -4.810 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.996 -6.893 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.021 -3.637 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.086 -4.677 -0.438 1.00 0.00 H new ATOM 1003 N THR A 69 -2.679 -8.732 -3.452 1.00 0.00 N ATOM 1004 CA THR A 69 -1.350 -9.070 -3.951 1.00 0.00 C ATOM 1005 C THR A 69 -0.383 -7.919 -3.706 1.00 0.00 C ATOM 1006 O THR A 69 -0.771 -6.754 -3.766 1.00 0.00 O ATOM 1007 CB THR A 69 -1.408 -9.400 -5.444 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.342 -10.436 -5.692 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.076 -9.837 -6.014 1.00 0.00 C ATOM 0 H THR A 69 -3.316 -8.370 -4.161 1.00 0.00 H new ATOM 0 HA THR A 69 -0.993 -9.948 -3.413 1.00 0.00 H new ATOM 0 HB THR A 69 -1.706 -8.473 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.366 -10.632 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.189 -10.055 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.655 -9.039 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.266 -10.732 -5.494 1.00 0.00 H new ATOM 1017 N ILE A 70 0.872 -8.252 -3.417 1.00 0.00 N ATOM 1018 CA ILE A 70 1.891 -7.244 -3.147 1.00 0.00 C ATOM 1019 C ILE A 70 3.191 -7.559 -3.888 1.00 0.00 C ATOM 1020 O ILE A 70 3.635 -8.707 -3.918 1.00 0.00 O ATOM 1021 CB ILE A 70 2.170 -7.148 -1.631 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.277 -6.129 -1.337 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.536 -8.518 -1.075 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.772 -4.866 -0.673 1.00 0.00 C ATOM 0 H ILE A 70 1.207 -9.214 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 70 1.510 -6.287 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 70 1.262 -6.803 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.026 -6.593 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.775 -5.866 -2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.730 -8.437 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.711 -9.211 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.429 -8.888 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.608 -4.190 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.044 -4.379 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.300 -5.118 0.276 1.00 0.00 H new ATOM 1036 N SER A 71 3.798 -6.532 -4.484 1.00 0.00 N ATOM 1037 CA SER A 71 5.046 -6.704 -5.220 1.00 0.00 C ATOM 1038 C SER A 71 5.837 -5.399 -5.267 1.00 0.00 C ATOM 1039 O SER A 71 5.443 -4.402 -4.662 1.00 0.00 O ATOM 1040 CB SER A 71 4.762 -7.193 -6.641 1.00 0.00 C ATOM 1041 OG SER A 71 4.164 -6.172 -7.421 1.00 0.00 O ATOM 0 H SER A 71 3.445 -5.575 -4.470 1.00 0.00 H new ATOM 0 HA SER A 71 5.644 -7.451 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.691 -7.517 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.104 -8.061 -6.606 1.00 0.00 H new ATOM 0 HG SER A 71 3.994 -6.509 -8.325 1.00 0.00 H new ATOM 1047 N ARG A 72 6.955 -5.414 -5.986 1.00 0.00 N ATOM 1048 CA ARG A 72 7.801 -4.232 -6.108 1.00 0.00 C ATOM 1049 C ARG A 72 8.301 -4.060 -7.540 1.00 0.00 C ATOM 1050 O ARG A 72 8.209 -4.978 -8.355 1.00 0.00 O ATOM 1051 CB ARG A 72 8.991 -4.333 -5.152 1.00 0.00 C ATOM 1052 CG ARG A 72 8.745 -3.682 -3.801 1.00 0.00 C ATOM 1053 CD ARG A 72 9.241 -4.554 -2.657 1.00 0.00 C ATOM 1054 NE ARG A 72 10.510 -5.208 -2.971 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.673 -4.568 -3.058 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.734 -3.258 -2.852 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.778 -5.238 -3.350 1.00 0.00 N ATOM 0 H ARG A 72 7.296 -6.231 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 72 7.201 -3.360 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.236 -5.384 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.860 -3.868 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.248 -2.715 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.679 -3.492 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.361 -3.943 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.491 -5.311 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 72 10.503 -6.215 -3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.887 -2.737 -2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.628 -2.772 -2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.737 -6.245 -3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.670 -4.747 -3.417 1.00 0.00 H new ATOM 1071 N ASP A 73 8.833 -2.877 -7.838 1.00 0.00 N ATOM 1072 CA ASP A 73 9.352 -2.586 -9.171 1.00 0.00 C ATOM 1073 C ASP A 73 10.805 -3.032 -9.298 1.00 0.00 C ATOM 1074 O ASP A 73 11.254 -3.420 -10.377 1.00 0.00 O ATOM 1075 CB ASP A 73 9.234 -1.090 -9.477 1.00 0.00 C ATOM 1076 CG ASP A 73 9.787 -0.730 -10.842 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.182 -1.140 -11.855 1.00 0.00 O ATOM 1078 OD2 ASP A 73 10.825 -0.037 -10.899 1.00 0.00 O ATOM 0 H ASP A 73 8.916 -2.106 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 73 8.755 -3.142 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.187 -0.793 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.765 -0.523 -8.712 1.00 0.00 H new ATOM 1083 N ASN A 74 11.535 -2.972 -8.190 1.00 0.00 N ATOM 1084 CA ASN A 74 12.938 -3.368 -8.179 1.00 0.00 C ATOM 1085 C ASN A 74 13.754 -2.503 -9.135 1.00 0.00 C ATOM 1086 O ASN A 74 14.759 -2.950 -9.688 1.00 0.00 O ATOM 1087 CB ASN A 74 13.075 -4.843 -8.563 1.00 0.00 C ATOM 1088 CG ASN A 74 14.321 -5.479 -7.978 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.301 -5.996 -6.861 1.00 0.00 O ATOM 1090 ND2 ASN A 74 15.413 -5.443 -8.731 1.00 0.00 N ATOM 0 H ASN A 74 11.179 -2.653 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 74 13.324 -3.225 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.196 -5.388 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.100 -4.932 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.282 -5.854 -8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.384 -5.004 -9.651 1.00 0.00 H new ATOM 1097 N ALA A 75 13.315 -1.263 -9.325 1.00 0.00 N ATOM 1098 CA ALA A 75 14.003 -0.335 -10.213 1.00 0.00 C ATOM 1099 C ALA A 75 13.785 1.109 -9.773 1.00 0.00 C ATOM 1100 O ALA A 75 14.741 1.843 -9.519 1.00 0.00 O ATOM 1101 CB ALA A 75 13.534 -0.530 -11.647 1.00 0.00 C ATOM 0 H ALA A 75 12.485 -0.878 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 75 15.071 -0.545 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.056 0.170 -12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.748 -1.551 -11.964 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.461 -0.349 -11.707 1.00 0.00 H new ATOM 1107 N LYS A 76 12.521 1.511 -9.686 1.00 0.00 N ATOM 1108 CA LYS A 76 12.177 2.868 -9.276 1.00 0.00 C ATOM 1109 C LYS A 76 11.702 2.905 -7.824 1.00 0.00 C ATOM 1110 O LYS A 76 11.176 3.918 -7.362 1.00 0.00 O ATOM 1111 CB LYS A 76 11.094 3.438 -10.196 1.00 0.00 C ATOM 1112 CG LYS A 76 11.548 4.653 -10.989 1.00 0.00 C ATOM 1113 CD LYS A 76 10.704 4.849 -12.238 1.00 0.00 C ATOM 1114 CE LYS A 76 11.081 6.127 -12.970 1.00 0.00 C ATOM 1115 NZ LYS A 76 12.424 6.028 -13.605 1.00 0.00 N ATOM 0 H LYS A 76 11.718 0.917 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 76 13.075 3.481 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.772 2.661 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.225 3.710 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.485 5.543 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.594 4.535 -11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.833 3.996 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.649 4.883 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.333 6.342 -13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.071 6.963 -12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.629 6.907 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.145 5.882 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.437 5.226 -14.267 1.00 0.00 H new ATOM 1129 N LYS A 77 11.891 1.799 -7.107 1.00 0.00 N ATOM 1130 CA LYS A 77 11.480 1.716 -5.710 1.00 0.00 C ATOM 1131 C LYS A 77 9.975 1.926 -5.572 1.00 0.00 C ATOM 1132 O LYS A 77 9.523 2.761 -4.788 1.00 0.00 O ATOM 1133 CB LYS A 77 12.233 2.754 -4.875 1.00 0.00 C ATOM 1134 CG LYS A 77 13.725 2.799 -5.160 1.00 0.00 C ATOM 1135 CD LYS A 77 14.385 1.453 -4.898 1.00 0.00 C ATOM 1136 CE LYS A 77 14.745 0.744 -6.194 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.375 -0.698 -6.160 1.00 0.00 N ATOM 0 H LYS A 77 12.325 0.951 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 77 11.723 0.719 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.806 3.739 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.080 2.538 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.889 3.090 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.192 3.562 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.285 1.599 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.712 0.825 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.236 1.230 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.816 0.840 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.742 -1.171 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.785 -1.142 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.339 -0.790 -6.132 1.00 0.00 H new ATOM 1151 N THR A 78 9.202 1.162 -6.338 1.00 0.00 N ATOM 1152 CA THR A 78 7.746 1.266 -6.299 1.00 0.00 C ATOM 1153 C THR A 78 7.121 -0.026 -5.783 1.00 0.00 C ATOM 1154 O THR A 78 7.699 -1.106 -5.914 1.00 0.00 O ATOM 1155 CB THR A 78 7.178 1.581 -7.692 1.00 0.00 C ATOM 1156 OG1 THR A 78 6.613 0.427 -8.270 1.00 0.00 O ATOM 1157 CG2 THR A 78 8.201 2.133 -8.663 1.00 0.00 C ATOM 0 H THR A 78 9.558 0.465 -6.992 1.00 0.00 H new ATOM 0 HA THR A 78 7.497 2.081 -5.619 1.00 0.00 H new ATOM 0 HB THR A 78 6.426 2.351 -7.523 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.412 0.599 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.723 2.330 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.615 3.060 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.002 1.407 -8.799 1.00 0.00 H new ATOM 1165 N VAL A 79 5.924 0.095 -5.223 1.00 0.00 N ATOM 1166 CA VAL A 79 5.195 -1.056 -4.713 1.00 0.00 C ATOM 1167 C VAL A 79 3.872 -1.191 -5.441 1.00 0.00 C ATOM 1168 O VAL A 79 3.136 -0.219 -5.591 1.00 0.00 O ATOM 1169 CB VAL A 79 4.938 -0.949 -3.200 1.00 0.00 C ATOM 1170 CG1 VAL A 79 4.224 0.352 -2.864 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.150 -2.150 -2.690 1.00 0.00 C ATOM 0 H VAL A 79 5.437 0.984 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 79 5.811 -1.938 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 79 5.904 -0.946 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.053 0.406 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.839 1.196 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.268 0.388 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.983 -2.047 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.190 -2.200 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.713 -3.063 -2.884 1.00 0.00 H new ATOM 1181 N TYR A 80 3.575 -2.399 -5.891 1.00 0.00 N ATOM 1182 CA TYR A 80 2.333 -2.651 -6.611 1.00 0.00 C ATOM 1183 C TYR A 80 1.461 -3.651 -5.867 1.00 0.00 C ATOM 1184 O TYR A 80 1.761 -4.844 -5.831 1.00 0.00 O ATOM 1185 CB TYR A 80 2.619 -3.159 -8.024 1.00 0.00 C ATOM 1186 CG TYR A 80 3.654 -2.355 -8.756 1.00 0.00 C ATOM 1187 CD1 TYR A 80 5.000 -2.632 -8.593 1.00 0.00 C ATOM 1188 CD2 TYR A 80 3.291 -1.331 -9.617 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.959 -1.912 -9.265 1.00 0.00 C ATOM 1190 CE2 TYR A 80 4.246 -0.602 -10.295 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.578 -0.896 -10.114 1.00 0.00 C ATOM 1192 OH TYR A 80 6.535 -0.173 -10.789 1.00 0.00 O ATOM 0 H TYR A 80 4.172 -3.218 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 80 1.794 -1.706 -6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.950 -4.196 -7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.692 -3.151 -8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.302 -3.427 -7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.245 -1.101 -9.759 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.005 -2.142 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.950 0.194 -10.963 1.00 0.00 H new ATOM 0 HH TYR A 80 6.100 0.505 -11.346 1.00 0.00 H new ATOM 1202 N LEU A 81 0.373 -3.160 -5.284 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.543 -4.019 -4.555 1.00 0.00 C ATOM 1204 C LEU A 81 -1.833 -4.196 -5.348 1.00 0.00 C ATOM 1205 O LEU A 81 -2.575 -3.239 -5.577 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.807 -3.464 -3.142 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.157 -2.773 -2.911 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.507 -2.775 -1.431 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.122 -1.352 -3.443 1.00 0.00 C ATOM 0 H LEU A 81 0.107 -2.175 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.088 -5.002 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.721 -4.287 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.016 -2.753 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.926 -3.326 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.467 -2.281 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.569 -3.803 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.736 -2.243 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.087 -0.875 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.343 -0.790 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.911 -1.369 -4.512 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.074 -5.426 -5.785 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.252 -5.747 -6.572 1.00 0.00 C ATOM 1223 C GLN A 82 -4.387 -6.253 -5.689 1.00 0.00 C ATOM 1224 O GLN A 82 -4.453 -7.438 -5.363 1.00 0.00 O ATOM 1225 CB GLN A 82 -2.899 -6.797 -7.617 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.656 -6.641 -8.924 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.738 -7.937 -9.703 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.632 -8.821 -9.280 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -3.009 -8.141 -10.673 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.462 -6.222 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.591 -4.837 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.829 -6.749 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.101 -7.786 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.664 -6.281 -8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.167 -5.883 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.335 -7.432 -10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.078 -9.019 -11.187 1.00 0.00 H new ATOM 1238 N MET A 83 -5.277 -5.347 -5.305 1.00 0.00 N ATOM 1239 CA MET A 83 -6.410 -5.696 -4.461 1.00 0.00 C ATOM 1240 C MET A 83 -7.537 -6.311 -5.286 1.00 0.00 C ATOM 1241 O MET A 83 -8.415 -5.602 -5.777 1.00 0.00 O ATOM 1242 CB MET A 83 -6.919 -4.453 -3.731 1.00 0.00 C ATOM 1243 CG MET A 83 -5.809 -3.586 -3.169 1.00 0.00 C ATOM 1244 SD MET A 83 -5.986 -1.845 -3.609 1.00 0.00 S ATOM 1245 CE MET A 83 -7.598 -1.481 -2.917 1.00 0.00 C ATOM 0 H MET A 83 -5.235 -4.362 -5.566 1.00 0.00 H new ATOM 0 HA MET A 83 -6.077 -6.434 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.521 -3.859 -4.418 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.575 -4.762 -2.918 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.795 -3.681 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.849 -3.952 -3.534 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.311 -1.311 -3.724 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.932 -2.322 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.534 -0.588 -2.296 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.510 -7.633 -5.435 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.534 -8.331 -6.200 1.00 0.00 C ATOM 1257 C ASN A 84 -9.820 -8.456 -5.396 1.00 0.00 C ATOM 1258 O ASN A 84 -9.860 -8.102 -4.217 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.068 -9.730 -6.632 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.587 -9.987 -6.411 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.054 -9.744 -5.328 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.916 -10.491 -7.440 1.00 0.00 N ATOM 0 H ASN A 84 -6.792 -8.239 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.721 -7.737 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.641 -10.477 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.296 -9.867 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.920 -10.692 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.397 -10.678 -8.320 1.00 0.00 H new ATOM 1269 N SER A 85 -10.862 -8.973 -6.050 1.00 0.00 N ATOM 1270 CA SER A 85 -12.176 -9.172 -5.426 1.00 0.00 C ATOM 1271 C SER A 85 -12.376 -8.270 -4.207 1.00 0.00 C ATOM 1272 O SER A 85 -12.692 -8.741 -3.114 1.00 0.00 O ATOM 1273 CB SER A 85 -12.345 -10.642 -5.033 1.00 0.00 C ATOM 1274 OG SER A 85 -13.291 -11.287 -5.867 1.00 0.00 O ATOM 0 H SER A 85 -10.821 -9.266 -7.026 1.00 0.00 H new ATOM 0 HA SER A 85 -12.937 -8.899 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.385 -11.153 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.666 -10.709 -3.994 1.00 0.00 H new ATOM 0 HG SER A 85 -13.380 -12.225 -5.597 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.177 -6.969 -4.404 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.321 -5.993 -3.329 1.00 0.00 C ATOM 1282 C LEU A 86 -13.579 -6.249 -2.505 1.00 0.00 C ATOM 1283 O LEU A 86 -14.489 -6.955 -2.939 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.347 -4.574 -3.903 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.217 -3.664 -3.419 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -9.961 -3.891 -4.245 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.642 -2.204 -3.480 1.00 0.00 C ATOM 0 H LEU A 86 -11.914 -6.566 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.461 -6.097 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.303 -4.636 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.301 -4.112 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.996 -3.912 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.167 -3.236 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.645 -4.930 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.169 -3.671 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.825 -1.572 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.892 -1.940 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.514 -2.052 -2.844 1.00 0.00 H new ATOM 1299 N LYS A 87 -13.615 -5.670 -1.312 1.00 0.00 N ATOM 1300 CA LYS A 87 -14.753 -5.830 -0.414 1.00 0.00 C ATOM 1301 C LYS A 87 -15.524 -4.520 -0.278 1.00 0.00 C ATOM 1302 O LYS A 87 -14.998 -3.449 -0.579 1.00 0.00 O ATOM 1303 CB LYS A 87 -14.274 -6.299 0.962 1.00 0.00 C ATOM 1304 CG LYS A 87 -13.469 -7.588 0.921 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.346 -8.782 0.584 1.00 0.00 C ATOM 1306 CE LYS A 87 -13.979 -9.998 1.419 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.066 -11.016 1.428 1.00 0.00 N ATOM 0 H LYS A 87 -12.867 -5.083 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.420 -6.581 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.665 -5.515 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.139 -6.442 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.674 -7.498 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.989 -7.749 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.392 -8.526 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.244 -9.022 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.066 -10.446 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.766 -9.685 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.776 -11.829 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.931 -10.597 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.252 -11.334 0.455 1.00 0.00 H new ATOM 1321 N PRO A 88 -16.788 -4.585 0.181 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.624 -3.394 0.353 1.00 0.00 C ATOM 1323 C PRO A 88 -17.264 -2.590 1.601 1.00 0.00 C ATOM 1324 O PRO A 88 -17.965 -1.646 1.964 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.030 -3.976 0.480 1.00 0.00 C ATOM 1326 CG PRO A 88 -18.825 -5.322 1.083 1.00 0.00 C ATOM 1327 CD PRO A 88 -17.502 -5.820 0.563 1.00 0.00 C ATOM 0 HA PRO A 88 -17.503 -2.691 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.662 -3.351 1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.519 -4.047 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.818 -5.264 2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.632 -6.000 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -16.957 -6.378 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.632 -6.487 -0.289 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.167 -2.965 2.252 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.716 -2.275 3.454 1.00 0.00 C ATOM 1337 C GLU A 89 -14.300 -1.726 3.279 1.00 0.00 C ATOM 1338 O GLU A 89 -13.729 -1.157 4.210 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.760 -3.222 4.655 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.170 -3.599 5.081 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.983 -2.401 5.530 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -18.441 -1.633 4.657 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.162 -2.230 6.754 1.00 0.00 O ATOM 0 H GLU A 89 -15.574 -3.744 1.966 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.389 -1.436 3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.208 -4.130 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.248 -2.753 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.678 -4.088 4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.119 -4.324 5.894 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.735 -1.897 2.085 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.389 -1.414 1.802 1.00 0.00 C ATOM 1352 C ASP A 90 -12.402 0.063 1.411 1.00 0.00 C ATOM 1353 O ASP A 90 -11.354 0.707 1.358 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.753 -2.246 0.687 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.079 -3.498 1.211 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.358 -3.403 2.227 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.272 -4.574 0.606 1.00 0.00 O ATOM 0 H ASP A 90 -14.189 -2.366 1.301 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.796 -1.519 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.519 -2.525 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.021 -1.638 0.156 1.00 0.00 H new ATOM 1362 N THR A 91 -13.592 0.597 1.139 1.00 0.00 N ATOM 1363 CA THR A 91 -13.738 1.992 0.758 1.00 0.00 C ATOM 1364 C THR A 91 -13.130 2.917 1.809 1.00 0.00 C ATOM 1365 O THR A 91 -13.706 3.121 2.877 1.00 0.00 O ATOM 1366 CB THR A 91 -15.218 2.303 0.574 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.777 1.468 -0.422 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.494 3.740 0.187 1.00 0.00 C ATOM 0 H THR A 91 -14.469 0.078 1.177 1.00 0.00 H new ATOM 0 HA THR A 91 -13.205 2.161 -0.178 1.00 0.00 H new ATOM 0 HB THR A 91 -15.675 2.123 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.725 1.689 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.568 3.886 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.117 4.405 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.996 3.965 -0.756 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.962 3.473 1.500 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.280 4.374 2.423 1.00 0.00 C ATOM 1378 C ALA A 92 -10.091 5.055 1.754 1.00 0.00 C ATOM 1379 O ALA A 92 -9.862 4.890 0.556 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.828 3.615 3.661 1.00 0.00 C ATOM 0 H ALA A 92 -11.470 3.316 0.621 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.986 5.150 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.321 4.298 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.696 3.183 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.143 2.818 3.370 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.333 5.816 2.537 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.164 6.516 2.026 1.00 0.00 C ATOM 1388 C VAL A 93 -6.928 5.624 2.094 1.00 0.00 C ATOM 1389 O VAL A 93 -6.353 5.426 3.164 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.908 7.811 2.820 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.629 8.493 2.355 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.096 8.753 2.696 1.00 0.00 C ATOM 0 H VAL A 93 -9.510 5.963 3.531 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.362 6.773 0.985 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.784 7.547 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.472 9.404 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.784 7.821 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.714 8.743 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.899 9.663 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.252 9.005 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.989 8.267 3.089 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.527 5.083 0.948 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.371 4.213 0.878 1.00 0.00 C ATOM 1404 C TYR A 94 -4.083 5.025 0.791 1.00 0.00 C ATOM 1405 O TYR A 94 -3.769 5.599 -0.252 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.501 3.299 -0.336 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.157 1.973 -0.028 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.541 1.850 -0.018 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.396 0.846 0.252 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.147 0.640 0.264 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -5.995 -0.368 0.534 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.371 -0.465 0.539 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.972 -1.670 0.819 1.00 0.00 O ATOM 0 H TYR A 94 -6.992 5.236 0.053 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.327 3.611 1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.079 3.811 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.510 3.117 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.153 2.713 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.318 0.919 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.224 0.561 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.389 -1.236 0.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.829 -1.726 0.347 1.00 0.00 H new ATOM 1423 N THR A 95 -3.341 5.069 1.892 1.00 0.00 N ATOM 1424 CA THR A 95 -2.086 5.812 1.937 1.00 0.00 C ATOM 1425 C THR A 95 -0.899 4.864 2.057 1.00 0.00 C ATOM 1426 O THR A 95 -0.910 3.944 2.871 1.00 0.00 O ATOM 1427 CB THR A 95 -2.092 6.795 3.110 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.191 7.684 3.014 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.833 7.630 3.198 1.00 0.00 C ATOM 0 H THR A 95 -3.586 4.600 2.764 1.00 0.00 H new ATOM 0 HA THR A 95 -1.989 6.371 1.006 1.00 0.00 H new ATOM 0 HB THR A 95 -2.161 6.176 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.178 8.303 3.774 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.903 8.305 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.030 6.976 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.718 8.212 2.283 1.00 0.00 H new ATOM 1437 N CYS A 96 0.123 5.092 1.242 1.00 0.00 N ATOM 1438 CA CYS A 96 1.313 4.250 1.263 1.00 0.00 C ATOM 1439 C CYS A 96 2.443 4.914 2.041 1.00 0.00 C ATOM 1440 O CYS A 96 2.546 6.141 2.088 1.00 0.00 O ATOM 1441 CB CYS A 96 1.773 3.941 -0.162 1.00 0.00 C ATOM 1442 SG CYS A 96 2.216 5.414 -1.138 1.00 0.00 S ATOM 0 H CYS A 96 0.152 5.850 0.560 1.00 0.00 H new ATOM 0 HA CYS A 96 1.053 3.318 1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.635 3.275 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.980 3.401 -0.679 1.00 0.00 H new ATOM 1447 N GLY A 97 3.291 4.091 2.650 1.00 0.00 N ATOM 1448 CA GLY A 97 4.407 4.607 3.418 1.00 0.00 C ATOM 1449 C GLY A 97 5.647 3.747 3.277 1.00 0.00 C ATOM 1450 O GLY A 97 5.660 2.785 2.508 1.00 0.00 O ATOM 0 H GLY A 97 3.224 3.074 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.632 5.622 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.126 4.666 4.469 1.00 0.00 H new ATOM 1454 N ALA A 98 6.692 4.091 4.022 1.00 0.00 N ATOM 1455 CA ALA A 98 7.942 3.342 3.974 1.00 0.00 C ATOM 1456 C ALA A 98 8.485 3.094 5.376 1.00 0.00 C ATOM 1457 O ALA A 98 8.061 3.731 6.340 1.00 0.00 O ATOM 1458 CB ALA A 98 8.968 4.082 3.129 1.00 0.00 C ATOM 0 H ALA A 98 6.698 4.883 4.665 1.00 0.00 H new ATOM 0 HA ALA A 98 7.742 2.374 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.896 3.512 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.586 4.202 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.158 5.063 3.564 1.00 0.00 H new ATOM 1464 N GLY A 99 9.427 2.163 5.481 1.00 0.00 N ATOM 1465 CA GLY A 99 10.013 1.845 6.768 1.00 0.00 C ATOM 1466 C GLY A 99 11.314 2.584 7.013 1.00 0.00 C ATOM 1467 O GLY A 99 11.686 3.473 6.247 1.00 0.00 O ATOM 0 H GLY A 99 9.795 1.623 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.304 2.093 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.192 0.771 6.827 1.00 0.00 H new ATOM 1471 N GLU A 100 12.002 2.221 8.091 1.00 0.00 N ATOM 1472 CA GLU A 100 13.264 2.852 8.448 1.00 0.00 C ATOM 1473 C GLU A 100 13.824 2.251 9.734 1.00 0.00 C ATOM 1474 O GLU A 100 13.264 2.443 10.814 1.00 0.00 O ATOM 1475 CB GLU A 100 13.059 4.352 8.616 1.00 0.00 C ATOM 1476 CG GLU A 100 13.705 5.184 7.521 1.00 0.00 C ATOM 1477 CD GLU A 100 13.996 6.604 7.963 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.781 6.780 8.919 1.00 0.00 O ATOM 1479 OE2 GLU A 100 13.439 7.542 7.354 1.00 0.00 O ATOM 0 H GLU A 100 11.703 1.489 8.735 1.00 0.00 H new ATOM 0 HA GLU A 100 13.982 2.674 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.990 4.563 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.464 4.659 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.634 4.707 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.049 5.205 6.651 1.00 0.00 H new ATOM 1486 N GLY A 101 14.927 1.521 9.613 1.00 0.00 N ATOM 1487 CA GLY A 101 15.538 0.902 10.770 1.00 0.00 C ATOM 1488 C GLY A 101 14.624 -0.102 11.448 1.00 0.00 C ATOM 1489 O GLY A 101 14.860 -0.490 12.592 1.00 0.00 O ATOM 0 H GLY A 101 15.409 1.348 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 101 16.458 0.402 10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.816 1.675 11.486 1.00 0.00 H new ATOM 1493 N GLY A 102 13.576 -0.522 10.744 1.00 0.00 N ATOM 1494 CA GLY A 102 12.640 -1.479 11.304 1.00 0.00 C ATOM 1495 C GLY A 102 11.301 -0.852 11.643 1.00 0.00 C ATOM 1496 O GLY A 102 10.322 -1.557 11.885 1.00 0.00 O ATOM 0 H GLY A 102 13.359 -0.216 9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.488 -2.292 10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.070 -1.919 12.204 1.00 0.00 H new ATOM 1500 N THR A 103 11.259 0.478 11.664 1.00 0.00 N ATOM 1501 CA THR A 103 10.040 1.203 11.977 1.00 0.00 C ATOM 1502 C THR A 103 9.366 1.697 10.700 1.00 0.00 C ATOM 1503 O THR A 103 9.872 1.485 9.599 1.00 0.00 O ATOM 1504 CB THR A 103 10.382 2.386 12.876 1.00 0.00 C ATOM 1505 OG1 THR A 103 11.307 2.003 13.879 1.00 0.00 O ATOM 1506 CG2 THR A 103 9.186 3.002 13.569 1.00 0.00 C ATOM 0 H THR A 103 12.063 1.074 11.466 1.00 0.00 H new ATOM 0 HA THR A 103 9.349 0.536 12.491 1.00 0.00 H new ATOM 0 HB THR A 103 10.805 3.132 12.203 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.515 2.776 14.444 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.514 3.836 14.189 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.478 3.361 12.822 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.703 2.253 14.196 1.00 0.00 H new ATOM 1514 N TRP A 104 8.228 2.362 10.859 1.00 0.00 N ATOM 1515 CA TRP A 104 7.485 2.897 9.724 1.00 0.00 C ATOM 1516 C TRP A 104 7.016 4.319 10.008 1.00 0.00 C ATOM 1517 O TRP A 104 5.958 4.529 10.601 1.00 0.00 O ATOM 1518 CB TRP A 104 6.284 2.007 9.407 1.00 0.00 C ATOM 1519 CG TRP A 104 6.670 0.654 8.897 1.00 0.00 C ATOM 1520 CD1 TRP A 104 7.022 -0.431 9.643 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.746 0.244 7.527 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.309 -1.495 8.822 1.00 0.00 N ATOM 1523 CE2 TRP A 104 7.147 -1.105 7.518 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.512 0.887 6.307 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.319 -1.822 6.337 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.684 0.174 5.136 1.00 0.00 C ATOM 1527 CH2 TRP A 104 7.084 -1.168 5.158 1.00 0.00 C ATOM 0 H TRP A 104 7.798 2.544 11.766 1.00 0.00 H new ATOM 0 HA TRP A 104 8.151 2.916 8.861 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.679 1.890 10.306 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.659 2.503 8.665 1.00 0.00 H new ATOM 0 HD1 TRP A 104 7.069 -0.452 10.722 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.596 -2.423 9.132 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.203 1.921 6.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.627 -2.857 6.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.507 0.660 4.188 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.210 -1.698 4.225 1.00 0.00 H new ATOM 1538 N ASP A 105 7.813 5.293 9.584 1.00 0.00 N ATOM 1539 CA ASP A 105 7.485 6.698 9.793 1.00 0.00 C ATOM 1540 C ASP A 105 7.314 7.434 8.462 1.00 0.00 C ATOM 1541 O ASP A 105 6.955 8.612 8.439 1.00 0.00 O ATOM 1542 CB ASP A 105 8.570 7.363 10.640 1.00 0.00 C ATOM 1543 CG ASP A 105 8.423 8.872 10.717 1.00 0.00 C ATOM 1544 OD1 ASP A 105 8.910 9.563 9.798 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.821 9.360 11.696 1.00 0.00 O ATOM 0 H ASP A 105 8.693 5.135 9.092 1.00 0.00 H new ATOM 0 HA ASP A 105 6.534 6.753 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.541 6.949 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.548 7.120 10.224 1.00 0.00 H new ATOM 1550 N SER A 106 7.568 6.738 7.355 1.00 0.00 N ATOM 1551 CA SER A 106 7.435 7.336 6.032 1.00 0.00 C ATOM 1552 C SER A 106 6.023 7.137 5.487 1.00 0.00 C ATOM 1553 O SER A 106 5.457 6.049 5.588 1.00 0.00 O ATOM 1554 CB SER A 106 8.459 6.728 5.070 1.00 0.00 C ATOM 1555 OG SER A 106 9.435 7.684 4.694 1.00 0.00 O ATOM 0 H SER A 106 7.866 5.763 7.350 1.00 0.00 H new ATOM 0 HA SER A 106 7.623 8.406 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.945 5.874 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.951 6.354 4.181 1.00 0.00 H new ATOM 0 HG SER A 106 9.826 7.430 3.832 1.00 0.00 H new ATOM 1561 N TRP A 107 5.459 8.195 4.913 1.00 0.00 N ATOM 1562 CA TRP A 107 4.112 8.134 4.355 1.00 0.00 C ATOM 1563 C TRP A 107 4.017 8.936 3.061 1.00 0.00 C ATOM 1564 O TRP A 107 4.896 9.739 2.748 1.00 0.00 O ATOM 1565 CB TRP A 107 3.094 8.662 5.366 1.00 0.00 C ATOM 1566 CG TRP A 107 3.250 8.070 6.732 1.00 0.00 C ATOM 1567 CD1 TRP A 107 4.096 8.493 7.713 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.542 6.947 7.268 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.961 7.702 8.828 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.011 6.745 8.579 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.555 6.093 6.766 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.528 5.725 9.395 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.077 5.080 7.577 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.563 4.904 8.878 1.00 0.00 C ATOM 0 H TRP A 107 5.913 9.104 4.822 1.00 0.00 H new ATOM 0 HA TRP A 107 3.889 7.091 4.132 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.190 9.746 5.435 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.088 8.454 5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.774 9.329 7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.482 7.809 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.173 6.222 5.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.901 5.587 10.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.316 4.413 7.200 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.168 4.104 9.486 1.00 0.00 H new ATOM 1585 N GLY A 108 2.941 8.711 2.316 1.00 0.00 N ATOM 1586 CA GLY A 108 2.740 9.417 1.063 1.00 0.00 C ATOM 1587 C GLY A 108 1.601 10.415 1.136 1.00 0.00 C ATOM 1588 O GLY A 108 1.342 10.994 2.191 1.00 0.00 O ATOM 0 H GLY A 108 2.202 8.051 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.658 9.938 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.537 8.696 0.272 1.00 0.00 H new ATOM 1592 N GLN A 109 0.918 10.617 0.013 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.198 11.550 -0.044 1.00 0.00 C ATOM 1594 C GLN A 109 -1.514 10.844 0.266 1.00 0.00 C ATOM 1595 O GLN A 109 -2.304 11.313 1.084 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.266 12.204 -1.419 1.00 0.00 C ATOM 1597 CG GLN A 109 0.429 13.555 -1.485 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.484 14.659 -1.982 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.418 15.059 -3.144 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -1.343 15.158 -1.101 1.00 0.00 N ATOM 0 H GLN A 109 1.119 10.146 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.037 12.321 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.186 11.536 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.311 12.328 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.802 13.816 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.295 13.482 -2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.363 14.796 -0.147 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.982 15.903 -1.378 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.740 9.710 -0.391 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.959 8.954 -0.169 1.00 0.00 C ATOM 1611 C GLY A 110 -3.832 8.873 -1.405 1.00 0.00 C ATOM 1612 O GLY A 110 -3.815 9.770 -2.248 1.00 0.00 O ATOM 0 H GLY A 110 -1.101 9.302 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.702 7.946 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.525 9.415 0.641 1.00 0.00 H new ATOM 1616 N THR A 111 -4.600 7.793 -1.509 1.00 0.00 N ATOM 1617 CA THR A 111 -5.491 7.591 -2.645 1.00 0.00 C ATOM 1618 C THR A 111 -6.795 6.943 -2.191 1.00 0.00 C ATOM 1619 O THR A 111 -6.816 5.776 -1.799 1.00 0.00 O ATOM 1620 CB THR A 111 -4.815 6.723 -3.708 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.728 6.390 -4.739 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.251 5.429 -3.160 1.00 0.00 C ATOM 0 H THR A 111 -4.623 7.043 -0.818 1.00 0.00 H new ATOM 0 HA THR A 111 -5.717 8.564 -3.081 1.00 0.00 H new ATOM 0 HB THR A 111 -3.991 7.326 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.325 6.589 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.787 4.864 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.505 5.651 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.055 4.839 -2.720 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.881 7.707 -2.237 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.183 7.202 -1.819 1.00 0.00 C ATOM 1632 C GLN A 112 -9.647 6.068 -2.726 1.00 0.00 C ATOM 1633 O GLN A 112 -9.453 6.103 -3.941 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.213 8.342 -1.790 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.668 7.907 -1.939 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.345 7.697 -0.603 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.626 7.090 0.330 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.501 8.075 -0.412 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.886 8.675 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.088 6.799 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.107 8.882 -0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.977 9.044 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.214 8.661 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.711 6.982 -2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.016 8.538 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.943 7.925 0.495 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.265 5.068 -2.113 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.771 3.914 -2.832 1.00 0.00 C ATOM 1649 C VAL A 113 -12.283 3.801 -2.655 1.00 0.00 C ATOM 1650 O VAL A 113 -12.782 3.777 -1.529 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.094 2.628 -2.323 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.804 1.385 -2.844 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.624 2.612 -2.712 1.00 0.00 C ATOM 0 H VAL A 113 -10.428 5.036 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.544 4.042 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.165 2.618 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.302 0.494 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.840 1.389 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.779 1.382 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.160 1.696 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.534 2.654 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.122 3.474 -2.273 1.00 0.00 H new ATOM 1663 N THR A 114 -13.004 3.736 -3.770 1.00 0.00 N ATOM 1664 CA THR A 114 -14.457 3.631 -3.733 1.00 0.00 C ATOM 1665 C THR A 114 -14.909 2.195 -3.985 1.00 0.00 C ATOM 1666 O THR A 114 -14.660 1.630 -5.051 1.00 0.00 O ATOM 1667 CB THR A 114 -15.082 4.574 -4.766 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.778 5.923 -4.457 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.589 4.454 -4.858 1.00 0.00 C ATOM 0 H THR A 114 -12.606 3.754 -4.709 1.00 0.00 H new ATOM 0 HA THR A 114 -14.794 3.922 -2.738 1.00 0.00 H new ATOM 0 HB THR A 114 -14.653 4.278 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.565 6.482 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.964 5.150 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.856 3.436 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.032 4.690 -3.891 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.576 1.612 -2.992 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.068 0.241 -3.094 1.00 0.00 C ATOM 1679 C VAL A 115 -17.521 0.155 -2.617 1.00 0.00 C ATOM 1680 O VAL A 115 -18.229 1.162 -2.589 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.196 -0.742 -2.275 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.046 -2.065 -3.013 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -13.829 -0.143 -1.969 1.00 0.00 C ATOM 0 H VAL A 115 -15.789 2.069 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.012 -0.045 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 115 -15.701 -0.927 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -14.430 -2.743 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.029 -2.509 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.571 -1.891 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.240 -0.857 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.314 0.083 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -13.954 0.773 -1.392 1.00 0.00 H new ATOM 1693 N SER A 116 -17.962 -1.048 -2.244 1.00 0.00 N ATOM 1694 CA SER A 116 -19.328 -1.262 -1.769 1.00 0.00 C ATOM 1695 C SER A 116 -20.315 -1.283 -2.930 1.00 0.00 C ATOM 1696 O SER A 116 -19.966 -0.951 -4.063 1.00 0.00 O ATOM 1697 CB SER A 116 -19.731 -0.182 -0.761 1.00 0.00 C ATOM 1698 OG SER A 116 -20.854 -0.590 0.002 1.00 0.00 O ATOM 0 H SER A 116 -17.389 -1.892 -2.262 1.00 0.00 H new ATOM 0 HA SER A 116 -19.355 -2.232 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.894 0.030 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.962 0.744 -1.288 1.00 0.00 H new ATOM 0 HG SER A 116 -21.090 0.116 0.639 1.00 0.00 H new