USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 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 88 CYS SG : rot -118:sc= 0.856 USER MOD Set 1.2: A 137 TYR OH : rot -57:sc= 0.01 USER MOD Set 2.1: A 73 THR OG1 : rot -170:sc= -0.337 USER MOD Set 2.2: A 119 ASN : amide:sc= -1.09 K(o=-1.4,f=-4.1!) USER MOD Set 3.1: A 108 ASN : amide:sc= 0.519 K(o=1,f=-0.92) USER MOD Set 3.2: A 113 THR OG1 : rot 70:sc= 0.482 USER MOD Set 4.1: A 43 THR OG1 : rot 91:sc= 1.13 USER MOD Set 4.2: A 45 THR OG1 : rot 8:sc= 1.89 USER MOD Set 5.1: A 5 GLN : amide:sc= 2.32 K(o=3.3,f=0.96) USER MOD Set 5.2: A 35 THR OG1 : rot -110:sc= 1.02 USER MOD Set 6.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 20 CYS SG : rot -160:sc= 0.43 USER MOD Set 6.3: A 69 TYR OH : rot -1:sc= 1 USER MOD Set 7.1: A 6 LYS NZ :NH3+ 163:sc= 0.492 (180deg=0.355) USER MOD Set 7.2: A 50 TYR OH : rot 0:sc= -0.463 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 1.11 K(o=1.1,f=-0.11) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 179:sc= -2.24 (180deg=-2.28) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.445 (180deg=0.403) USER MOD Single : A 31 MET CE :methyl 165:sc= -0.191 (180deg=-0.732) USER MOD Single : A 38 ASN : amide:sc= 0.749 K(o=0.75,f=-0.19) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.52 K(o=0.52,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 1.19 (180deg=0.978) USER MOD Single : A 70 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 0.181 (180deg=-0.332) USER MOD Single : A 83 MET CE :methyl 175:sc= -1.43 (180deg=-1.58) USER MOD Single : A 90 ASN : amide:sc= -0.0524 K(o=-0.052,f=-3.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.481) USER MOD Single : A 104 ASN : amide:sc= 0.899 K(o=0.9,f=-1) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 130:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 21:sc= 0.884 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 129 LYS NZ :NH3+ -177:sc= -3.21 (180deg=-3.22) USER MOD Single : A 134 LYS NZ :NH3+ -157:sc= 0.989 (180deg=-1.55!) USER MOD Single : A 138 LYS NZ :NH3+ -147:sc= 1.03 (180deg=0.429) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.267 -15.120 4.769 1.00 0.89 N ATOM 66 CA GLN A 5 0.421 -14.292 3.926 1.00 0.75 C ATOM 67 C GLN A 5 0.386 -12.832 4.386 1.00 0.80 C ATOM 68 O GLN A 5 1.092 -12.419 5.307 1.00 1.40 O ATOM 69 CB GLN A 5 -0.981 -14.907 3.839 1.00 0.77 C ATOM 70 CG GLN A 5 -0.891 -16.373 3.395 1.00 0.89 C ATOM 71 CD GLN A 5 -2.021 -16.689 2.435 1.00 1.82 C ATOM 72 OE1 GLN A 5 -3.183 -16.742 2.824 1.00 3.32 O ATOM 73 NE2 GLN A 5 -1.691 -16.847 1.165 1.00 2.19 N ATOM 0 HA GLN A 5 0.852 -14.271 2.925 1.00 0.75 H new ATOM 0 HB2 GLN A 5 -1.475 -14.843 4.809 1.00 0.77 H new ATOM 0 HB3 GLN A 5 -1.590 -14.343 3.133 1.00 0.77 H new ATOM 0 HG2 GLN A 5 0.069 -16.559 2.914 1.00 0.89 H new ATOM 0 HG3 GLN A 5 -0.945 -17.030 4.263 1.00 0.89 H new ATOM 0 HE21 GLN A 5 -0.712 -16.796 0.882 1.00 2.19 H new ATOM 0 HE22 GLN A 5 -2.415 -17.020 0.468 1.00 2.19 H new ATOM 82 N LYS A 6 -0.434 -12.032 3.707 1.00 0.75 N ATOM 83 CA LYS A 6 -0.701 -10.647 4.048 1.00 0.76 C ATOM 84 C LYS A 6 -2.171 -10.367 3.769 1.00 0.85 C ATOM 85 O LYS A 6 -2.754 -11.055 2.935 1.00 1.17 O ATOM 86 CB LYS A 6 0.184 -9.751 3.176 1.00 1.08 C ATOM 87 CG LYS A 6 -0.221 -9.861 1.698 1.00 1.53 C ATOM 88 CD LYS A 6 1.000 -9.970 0.798 1.00 2.03 C ATOM 89 CE LYS A 6 1.759 -8.640 0.731 1.00 1.49 C ATOM 90 NZ LYS A 6 2.442 -8.458 -0.561 1.00 2.87 N ATOM 0 H LYS A 6 -0.943 -12.345 2.880 1.00 0.75 H new ATOM 0 HA LYS A 6 -0.484 -10.450 5.098 1.00 0.76 H new ATOM 0 HB2 LYS A 6 0.098 -8.716 3.506 1.00 1.08 H new ATOM 0 HB3 LYS A 6 1.229 -10.038 3.294 1.00 1.08 H new ATOM 0 HG2 LYS A 6 -0.858 -10.734 1.557 1.00 1.53 H new ATOM 0 HG3 LYS A 6 -0.809 -8.988 1.414 1.00 1.53 H new ATOM 0 HD2 LYS A 6 1.662 -10.751 1.172 1.00 2.03 H new ATOM 0 HD3 LYS A 6 0.691 -10.266 -0.204 1.00 2.03 H new ATOM 0 HE2 LYS A 6 1.063 -7.817 0.892 1.00 1.49 H new ATOM 0 HE3 LYS A 6 2.492 -8.600 1.537 1.00 1.49 H new ATOM 0 HZ1 LYS A 6 2.694 -7.456 -0.682 1.00 2.87 H new ATOM 0 HZ2 LYS A 6 3.305 -9.037 -0.582 1.00 2.87 H new ATOM 0 HZ3 LYS A 6 1.809 -8.752 -1.332 1.00 2.87 H new ATOM 104 N GLU A 7 -2.707 -9.315 4.387 1.00 0.74 N ATOM 105 CA GLU A 7 -4.050 -8.809 4.209 1.00 0.85 C ATOM 106 C GLU A 7 -3.905 -7.343 3.817 1.00 1.04 C ATOM 107 O GLU A 7 -3.621 -6.506 4.672 1.00 1.72 O ATOM 108 CB GLU A 7 -4.838 -8.950 5.519 1.00 0.96 C ATOM 109 CG GLU A 7 -4.849 -10.392 6.057 1.00 2.02 C ATOM 110 CD GLU A 7 -3.672 -10.697 6.979 1.00 2.13 C ATOM 111 OE1 GLU A 7 -3.771 -10.314 8.164 1.00 2.44 O ATOM 112 OE2 GLU A 7 -2.694 -11.307 6.493 1.00 3.08 O ATOM 0 H GLU A 7 -2.176 -8.767 5.064 1.00 0.74 H new ATOM 0 HA GLU A 7 -4.593 -9.363 3.443 1.00 0.85 H new ATOM 0 HB2 GLU A 7 -4.405 -8.290 6.271 1.00 0.96 H new ATOM 0 HB3 GLU A 7 -5.864 -8.620 5.358 1.00 0.96 H new ATOM 0 HG2 GLU A 7 -5.780 -10.565 6.597 1.00 2.02 H new ATOM 0 HG3 GLU A 7 -4.834 -11.087 5.217 1.00 2.02 H new ATOM 119 N ILE A 8 -4.034 -7.029 2.528 1.00 0.66 N ATOM 120 CA ILE A 8 -3.883 -5.665 2.043 1.00 0.67 C ATOM 121 C ILE A 8 -5.292 -5.072 1.931 1.00 0.55 C ATOM 122 O ILE A 8 -6.088 -5.553 1.124 1.00 0.53 O ATOM 123 CB ILE A 8 -3.028 -5.670 0.751 1.00 0.84 C ATOM 124 CG1 ILE A 8 -1.934 -4.591 0.768 1.00 1.32 C ATOM 125 CG2 ILE A 8 -3.827 -5.602 -0.555 1.00 0.90 C ATOM 126 CD1 ILE A 8 -0.715 -5.060 1.566 1.00 3.03 C ATOM 0 H ILE A 8 -4.245 -7.710 1.799 1.00 0.66 H new ATOM 0 HA ILE A 8 -3.328 -5.014 2.718 1.00 0.67 H new ATOM 0 HB ILE A 8 -2.555 -6.652 0.760 1.00 0.84 H new ATOM 0 HG12 ILE A 8 -1.636 -4.354 -0.253 1.00 1.32 H new ATOM 0 HG13 ILE A 8 -2.329 -3.674 1.205 1.00 1.32 H new ATOM 0 HG21 ILE A 8 -3.141 -5.611 -1.402 1.00 0.90 H new ATOM 0 HG22 ILE A 8 -4.494 -6.462 -0.619 1.00 0.90 H new ATOM 0 HG23 ILE A 8 -4.415 -4.685 -0.574 1.00 0.90 H new ATOM 0 HD11 ILE A 8 0.045 -4.278 1.563 1.00 3.03 H new ATOM 0 HD12 ILE A 8 -1.012 -5.273 2.593 1.00 3.03 H new ATOM 0 HD13 ILE A 8 -0.308 -5.963 1.111 1.00 3.03 H new ATOM 138 N ALA A 9 -5.625 -4.099 2.789 1.00 0.58 N ATOM 139 CA ALA A 9 -6.929 -3.453 2.832 1.00 0.54 C ATOM 140 C ALA A 9 -6.783 -1.992 2.410 1.00 0.56 C ATOM 141 O ALA A 9 -6.129 -1.225 3.114 1.00 0.78 O ATOM 142 CB ALA A 9 -7.513 -3.571 4.243 1.00 0.71 C ATOM 0 H ALA A 9 -4.975 -3.736 3.486 1.00 0.58 H new ATOM 0 HA ALA A 9 -7.615 -3.943 2.140 1.00 0.54 H new ATOM 0 HB1 ALA A 9 -8.489 -3.087 4.274 1.00 0.71 H new ATOM 0 HB2 ALA A 9 -7.621 -4.623 4.505 1.00 0.71 H new ATOM 0 HB3 ALA A 9 -6.845 -3.086 4.955 1.00 0.71 H new ATOM 148 N MET A 10 -7.359 -1.620 1.263 1.00 0.44 N ATOM 149 CA MET A 10 -7.395 -0.255 0.747 1.00 0.53 C ATOM 150 C MET A 10 -8.779 0.067 0.183 1.00 0.51 C ATOM 151 O MET A 10 -9.653 -0.796 0.165 1.00 0.58 O ATOM 152 CB MET A 10 -6.320 -0.096 -0.328 1.00 0.58 C ATOM 153 CG MET A 10 -4.930 -0.196 0.299 1.00 0.75 C ATOM 154 SD MET A 10 -4.125 -1.812 0.298 1.00 2.73 S ATOM 155 CE MET A 10 -3.652 -1.916 -1.444 1.00 2.68 C ATOM 0 H MET A 10 -7.828 -2.286 0.650 1.00 0.44 H new ATOM 0 HA MET A 10 -7.195 0.445 1.558 1.00 0.53 H new ATOM 0 HB2 MET A 10 -6.440 -0.866 -1.090 1.00 0.58 H new ATOM 0 HB3 MET A 10 -6.434 0.866 -0.827 1.00 0.58 H new ATOM 0 HG2 MET A 10 -4.276 0.505 -0.220 1.00 0.75 H new ATOM 0 HG3 MET A 10 -5.003 0.142 1.333 1.00 0.75 H new ATOM 0 HE1 MET A 10 -3.138 -2.860 -1.626 1.00 2.68 H new ATOM 0 HE2 MET A 10 -4.545 -1.863 -2.067 1.00 2.68 H new ATOM 0 HE3 MET A 10 -2.988 -1.088 -1.691 1.00 2.68 H new ATOM 165 N GLN A 11 -8.985 1.306 -0.279 1.00 0.48 N ATOM 166 CA GLN A 11 -10.224 1.720 -0.918 1.00 0.49 C ATOM 167 C GLN A 11 -10.053 1.774 -2.438 1.00 0.50 C ATOM 168 O GLN A 11 -9.013 2.212 -2.934 1.00 0.59 O ATOM 169 CB GLN A 11 -10.691 3.053 -0.329 1.00 0.59 C ATOM 170 CG GLN A 11 -11.534 2.800 0.922 1.00 1.32 C ATOM 171 CD GLN A 11 -11.821 4.089 1.681 1.00 1.84 C ATOM 172 OE1 GLN A 11 -12.303 5.068 1.119 1.00 2.05 O ATOM 173 NE2 GLN A 11 -11.512 4.111 2.968 1.00 2.66 N ATOM 0 H GLN A 11 -8.288 2.048 -0.216 1.00 0.48 H new ATOM 0 HA GLN A 11 -11.003 0.984 -0.718 1.00 0.49 H new ATOM 0 HB2 GLN A 11 -9.830 3.672 -0.079 1.00 0.59 H new ATOM 0 HB3 GLN A 11 -11.275 3.603 -1.067 1.00 0.59 H new ATOM 0 HG2 GLN A 11 -12.475 2.329 0.637 1.00 1.32 H new ATOM 0 HG3 GLN A 11 -11.013 2.101 1.576 1.00 1.32 H new ATOM 0 HE21 GLN A 11 -11.113 3.283 3.411 1.00 2.66 H new ATOM 0 HE22 GLN A 11 -11.673 4.955 3.517 1.00 2.66 H new ATOM 182 N VAL A 12 -11.068 1.316 -3.177 1.00 0.48 N ATOM 183 CA VAL A 12 -11.071 1.216 -4.629 1.00 0.49 C ATOM 184 C VAL A 12 -12.276 1.975 -5.179 1.00 0.39 C ATOM 185 O VAL A 12 -13.362 1.860 -4.631 1.00 0.45 O ATOM 186 CB VAL A 12 -11.076 -0.265 -5.034 1.00 0.61 C ATOM 187 CG1 VAL A 12 -12.210 -1.060 -4.374 1.00 0.68 C ATOM 188 CG2 VAL A 12 -11.169 -0.414 -6.552 1.00 0.71 C ATOM 0 H VAL A 12 -11.941 0.994 -2.759 1.00 0.48 H new ATOM 0 HA VAL A 12 -10.174 1.668 -5.053 1.00 0.49 H new ATOM 0 HB VAL A 12 -10.132 -0.678 -4.679 1.00 0.61 H new ATOM 0 HG11 VAL A 12 -12.162 -2.100 -4.698 1.00 0.68 H new ATOM 0 HG12 VAL A 12 -12.105 -1.013 -3.290 1.00 0.68 H new ATOM 0 HG13 VAL A 12 -13.170 -0.633 -4.664 1.00 0.68 H new ATOM 0 HG21 VAL A 12 -11.171 -1.472 -6.814 1.00 0.71 H new ATOM 0 HG22 VAL A 12 -12.089 0.050 -6.907 1.00 0.71 H new ATOM 0 HG23 VAL A 12 -10.313 0.074 -7.019 1.00 0.71 H new ATOM 198 N SER A 13 -12.096 2.741 -6.255 1.00 0.44 N ATOM 199 CA SER A 13 -13.173 3.501 -6.873 1.00 0.48 C ATOM 200 C SER A 13 -13.719 2.776 -8.099 1.00 0.51 C ATOM 201 O SER A 13 -13.164 1.775 -8.547 1.00 0.64 O ATOM 202 CB SER A 13 -12.656 4.858 -7.338 1.00 0.58 C ATOM 203 OG SER A 13 -11.846 5.478 -6.361 1.00 0.77 O ATOM 0 H SER A 13 -11.195 2.850 -6.721 1.00 0.44 H new ATOM 0 HA SER A 13 -13.959 3.618 -6.127 1.00 0.48 H new ATOM 0 HB2 SER A 13 -12.084 4.732 -8.257 1.00 0.58 H new ATOM 0 HB3 SER A 13 -13.500 5.506 -7.574 1.00 0.58 H new ATOM 0 HG SER A 13 -11.533 6.344 -6.697 1.00 0.77 H new ATOM 209 N GLY A 14 -14.765 3.353 -8.696 1.00 0.58 N ATOM 210 CA GLY A 14 -15.327 2.886 -9.953 1.00 0.71 C ATOM 211 C GLY A 14 -16.183 1.642 -9.741 1.00 0.67 C ATOM 212 O GLY A 14 -16.533 0.957 -10.697 1.00 0.86 O ATOM 0 H GLY A 14 -15.246 4.166 -8.311 1.00 0.58 H new ATOM 0 HA2 GLY A 14 -15.931 3.675 -10.401 1.00 0.71 H new ATOM 0 HA3 GLY A 14 -14.523 2.663 -10.654 1.00 0.71 H new ATOM 216 N MET A 15 -16.523 1.343 -8.486 1.00 0.63 N ATOM 217 CA MET A 15 -17.316 0.173 -8.154 1.00 0.71 C ATOM 218 C MET A 15 -18.768 0.387 -8.570 1.00 0.86 C ATOM 219 O MET A 15 -19.618 0.723 -7.749 1.00 1.04 O ATOM 220 CB MET A 15 -17.201 -0.123 -6.660 1.00 0.80 C ATOM 221 CG MET A 15 -15.751 -0.423 -6.270 1.00 1.15 C ATOM 222 SD MET A 15 -15.537 -1.986 -5.387 1.00 1.44 S ATOM 223 CE MET A 15 -14.446 -2.796 -6.568 1.00 3.16 C ATOM 0 H MET A 15 -16.255 1.906 -7.679 1.00 0.63 H new ATOM 0 HA MET A 15 -16.937 -0.690 -8.701 1.00 0.71 H new ATOM 0 HB2 MET A 15 -17.566 0.730 -6.088 1.00 0.80 H new ATOM 0 HB3 MET A 15 -17.833 -0.973 -6.404 1.00 0.80 H new ATOM 0 HG2 MET A 15 -15.139 -0.440 -7.172 1.00 1.15 H new ATOM 0 HG3 MET A 15 -15.378 0.389 -5.646 1.00 1.15 H new ATOM 0 HE1 MET A 15 -14.177 -3.784 -6.196 1.00 3.16 H new ATOM 0 HE2 MET A 15 -14.956 -2.896 -7.526 1.00 3.16 H new ATOM 0 HE3 MET A 15 -13.543 -2.199 -6.698 1.00 3.16 H new ATOM 233 N THR A 16 -19.068 0.169 -9.850 1.00 1.17 N ATOM 234 CA THR A 16 -20.399 0.433 -10.382 1.00 1.51 C ATOM 235 C THR A 16 -21.437 -0.464 -9.705 1.00 1.68 C ATOM 236 O THR A 16 -22.599 -0.084 -9.589 1.00 1.85 O ATOM 237 CB THR A 16 -20.399 0.261 -11.907 1.00 1.78 C ATOM 238 OG1 THR A 16 -19.269 0.920 -12.440 1.00 1.74 O ATOM 239 CG2 THR A 16 -21.661 0.839 -12.554 1.00 2.13 C ATOM 0 H THR A 16 -18.404 -0.190 -10.536 1.00 1.17 H new ATOM 0 HA THR A 16 -20.674 1.465 -10.164 1.00 1.51 H new ATOM 0 HB THR A 16 -20.372 -0.807 -12.124 1.00 1.78 H new ATOM 0 HG1 THR A 16 -19.258 0.815 -13.414 1.00 1.74 H new ATOM 0 HG21 THR A 16 -21.616 0.694 -13.633 1.00 2.13 H new ATOM 0 HG22 THR A 16 -22.539 0.331 -12.156 1.00 2.13 H new ATOM 0 HG23 THR A 16 -21.728 1.904 -12.334 1.00 2.13 H new ATOM 247 N CYS A 17 -21.027 -1.664 -9.276 1.00 1.78 N ATOM 248 CA CYS A 17 -21.910 -2.612 -8.609 1.00 2.14 C ATOM 249 C CYS A 17 -21.083 -3.781 -8.083 1.00 1.65 C ATOM 250 O CYS A 17 -19.915 -3.926 -8.446 1.00 3.22 O ATOM 251 CB CYS A 17 -22.978 -3.128 -9.590 1.00 3.90 C ATOM 252 SG CYS A 17 -24.606 -3.160 -8.796 1.00 4.58 S ATOM 0 H CYS A 17 -20.070 -2.000 -9.385 1.00 1.78 H new ATOM 0 HA CYS A 17 -22.412 -2.114 -7.780 1.00 2.14 H new ATOM 0 HB2 CYS A 17 -23.010 -2.488 -10.472 1.00 3.90 H new ATOM 0 HB3 CYS A 17 -22.714 -4.129 -9.931 1.00 3.90 H new ATOM 0 HG CYS A 17 -25.492 -3.596 -9.641 1.00 4.58 H new ATOM 258 N ALA A 18 -21.710 -4.660 -7.293 1.00 1.15 N ATOM 259 CA ALA A 18 -21.115 -5.908 -6.823 1.00 1.90 C ATOM 260 C ALA A 18 -20.448 -6.699 -7.955 1.00 1.69 C ATOM 261 O ALA A 18 -19.434 -7.351 -7.736 1.00 2.67 O ATOM 262 CB ALA A 18 -22.184 -6.757 -6.131 1.00 3.01 C ATOM 0 H ALA A 18 -22.663 -4.518 -6.958 1.00 1.15 H new ATOM 0 HA ALA A 18 -20.329 -5.655 -6.111 1.00 1.90 H new ATOM 0 HB1 ALA A 18 -21.739 -7.688 -5.781 1.00 3.01 H new ATOM 0 HB2 ALA A 18 -22.592 -6.208 -5.282 1.00 3.01 H new ATOM 0 HB3 ALA A 18 -22.984 -6.980 -6.837 1.00 3.01 H new ATOM 268 N ALA A 19 -21.002 -6.643 -9.170 1.00 0.98 N ATOM 269 CA ALA A 19 -20.417 -7.287 -10.339 1.00 0.84 C ATOM 270 C ALA A 19 -18.993 -6.791 -10.625 1.00 0.66 C ATOM 271 O ALA A 19 -18.121 -7.591 -10.959 1.00 0.65 O ATOM 272 CB ALA A 19 -21.323 -7.062 -11.552 1.00 1.17 C ATOM 0 H ALA A 19 -21.871 -6.147 -9.366 1.00 0.98 H new ATOM 0 HA ALA A 19 -20.340 -8.354 -10.132 1.00 0.84 H new ATOM 0 HB1 ALA A 19 -20.886 -7.543 -12.427 1.00 1.17 H new ATOM 0 HB2 ALA A 19 -22.306 -7.489 -11.356 1.00 1.17 H new ATOM 0 HB3 ALA A 19 -21.423 -5.993 -11.738 1.00 1.17 H new ATOM 278 N CYS A 20 -18.750 -5.479 -10.508 1.00 0.62 N ATOM 279 CA CYS A 20 -17.450 -4.877 -10.799 1.00 0.64 C ATOM 280 C CYS A 20 -16.451 -5.451 -9.814 1.00 0.56 C ATOM 281 O CYS A 20 -15.486 -6.113 -10.188 1.00 0.56 O ATOM 282 CB CYS A 20 -17.507 -3.350 -10.648 1.00 0.76 C ATOM 283 SG CYS A 20 -18.274 -2.611 -12.105 1.00 0.85 S ATOM 0 H CYS A 20 -19.455 -4.806 -10.207 1.00 0.62 H new ATOM 0 HA CYS A 20 -17.160 -5.098 -11.826 1.00 0.64 H new ATOM 0 HB2 CYS A 20 -18.074 -3.086 -9.755 1.00 0.76 H new ATOM 0 HB3 CYS A 20 -16.501 -2.952 -10.516 1.00 0.76 H new ATOM 0 HG CYS A 20 -17.950 -1.354 -12.175 1.00 0.85 H new ATOM 289 N ALA A 21 -16.750 -5.229 -8.537 1.00 0.58 N ATOM 290 CA ALA A 21 -16.104 -5.893 -7.417 1.00 0.55 C ATOM 291 C ALA A 21 -15.769 -7.357 -7.724 1.00 0.53 C ATOM 292 O ALA A 21 -14.601 -7.729 -7.797 1.00 0.55 O ATOM 293 CB ALA A 21 -17.011 -5.756 -6.188 1.00 0.72 C ATOM 0 H ALA A 21 -17.468 -4.564 -8.249 1.00 0.58 H new ATOM 0 HA ALA A 21 -15.146 -5.413 -7.218 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -16.544 -6.248 -5.335 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -17.160 -4.700 -5.961 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -17.975 -6.222 -6.393 1.00 0.72 H new ATOM 299 N ALA A 22 -16.785 -8.190 -7.941 1.00 0.57 N ATOM 300 CA ALA A 22 -16.603 -9.612 -8.187 1.00 0.64 C ATOM 301 C ALA A 22 -15.667 -9.861 -9.373 1.00 0.58 C ATOM 302 O ALA A 22 -14.855 -10.784 -9.338 1.00 0.62 O ATOM 303 CB ALA A 22 -17.961 -10.280 -8.405 1.00 0.78 C ATOM 0 H ALA A 22 -17.761 -7.892 -7.950 1.00 0.57 H new ATOM 0 HA ALA A 22 -16.132 -10.055 -7.310 1.00 0.64 H new ATOM 0 HB1 ALA A 22 -17.817 -11.345 -8.589 1.00 0.78 H new ATOM 0 HB2 ALA A 22 -18.580 -10.145 -7.518 1.00 0.78 H new ATOM 0 HB3 ALA A 22 -18.456 -9.827 -9.264 1.00 0.78 H new ATOM 309 N ARG A 23 -15.768 -9.044 -10.425 1.00 0.56 N ATOM 310 CA ARG A 23 -14.877 -9.133 -11.564 1.00 0.59 C ATOM 311 C ARG A 23 -13.438 -8.886 -11.134 1.00 0.54 C ATOM 312 O ARG A 23 -12.553 -9.634 -11.547 1.00 0.58 O ATOM 313 CB ARG A 23 -15.297 -8.148 -12.666 1.00 0.65 C ATOM 314 CG ARG A 23 -16.107 -8.844 -13.759 1.00 0.77 C ATOM 315 CD ARG A 23 -15.244 -9.902 -14.465 1.00 0.84 C ATOM 316 NE ARG A 23 -15.458 -9.860 -15.923 1.00 1.01 N ATOM 317 CZ ARG A 23 -14.691 -10.468 -16.842 1.00 1.40 C ATOM 318 NH1 ARG A 23 -13.685 -11.258 -16.450 1.00 2.23 N ATOM 319 NH2 ARG A 23 -14.934 -10.283 -18.144 1.00 1.45 N ATOM 0 H ARG A 23 -16.470 -8.308 -10.502 1.00 0.56 H new ATOM 0 HA ARG A 23 -14.944 -10.141 -11.974 1.00 0.59 H new ATOM 0 HB2 ARG A 23 -15.888 -7.343 -12.230 1.00 0.65 H new ATOM 0 HB3 ARG A 23 -14.410 -7.691 -13.104 1.00 0.65 H new ATOM 0 HG2 ARG A 23 -16.989 -9.314 -13.325 1.00 0.77 H new ATOM 0 HG3 ARG A 23 -16.461 -8.110 -14.483 1.00 0.77 H new ATOM 0 HD2 ARG A 23 -14.191 -9.728 -14.242 1.00 0.84 H new ATOM 0 HD3 ARG A 23 -15.491 -10.893 -14.084 1.00 0.84 H new ATOM 0 HE ARG A 23 -16.256 -9.324 -16.262 1.00 1.01 H new ATOM 0 HH11 ARG A 23 -13.503 -11.397 -15.456 1.00 2.23 H new ATOM 0 HH12 ARG A 23 -13.100 -11.722 -17.145 1.00 2.23 H new ATOM 0 HH21 ARG A 23 -15.702 -9.680 -18.439 1.00 1.45 H new ATOM 0 HH22 ARG A 23 -14.351 -10.745 -18.842 1.00 1.45 H new ATOM 333 N ILE A 24 -13.202 -7.854 -10.321 1.00 0.51 N ATOM 334 CA ILE A 24 -11.880 -7.582 -9.802 1.00 0.53 C ATOM 335 C ILE A 24 -11.423 -8.798 -9.006 1.00 0.53 C ATOM 336 O ILE A 24 -10.437 -9.423 -9.386 1.00 0.61 O ATOM 337 CB ILE A 24 -11.869 -6.274 -8.998 1.00 0.55 C ATOM 338 CG1 ILE A 24 -12.259 -5.093 -9.906 1.00 0.65 C ATOM 339 CG2 ILE A 24 -10.499 -6.005 -8.390 1.00 0.68 C ATOM 340 CD1 ILE A 24 -12.440 -3.806 -9.103 1.00 0.53 C ATOM 0 H ILE A 24 -13.919 -7.197 -10.013 1.00 0.51 H new ATOM 0 HA ILE A 24 -11.166 -7.424 -10.610 1.00 0.53 H new ATOM 0 HB ILE A 24 -12.593 -6.378 -8.190 1.00 0.55 H new ATOM 0 HG12 ILE A 24 -11.489 -4.945 -10.664 1.00 0.65 H new ATOM 0 HG13 ILE A 24 -13.184 -5.328 -10.433 1.00 0.65 H new ATOM 0 HG21 ILE A 24 -10.527 -5.072 -7.828 1.00 0.68 H new ATOM 0 HG22 ILE A 24 -10.231 -6.823 -7.722 1.00 0.68 H new ATOM 0 HG23 ILE A 24 -9.757 -5.928 -9.185 1.00 0.68 H new ATOM 0 HD11 ILE A 24 -12.715 -2.993 -9.775 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -13.228 -3.947 -8.363 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -11.507 -3.558 -8.597 1.00 0.53 H new ATOM 352 N GLU A 25 -12.148 -9.187 -7.956 1.00 0.53 N ATOM 353 CA GLU A 25 -11.688 -10.252 -7.084 1.00 0.64 C ATOM 354 C GLU A 25 -11.453 -11.544 -7.861 1.00 0.59 C ATOM 355 O GLU A 25 -10.471 -12.235 -7.605 1.00 0.56 O ATOM 356 CB GLU A 25 -12.651 -10.449 -5.912 1.00 0.84 C ATOM 357 CG GLU A 25 -12.941 -9.140 -5.166 1.00 0.90 C ATOM 358 CD GLU A 25 -11.703 -8.300 -4.868 1.00 2.89 C ATOM 359 OE1 GLU A 25 -10.872 -8.777 -4.067 1.00 3.67 O ATOM 360 OE2 GLU A 25 -11.601 -7.208 -5.465 1.00 4.12 O ATOM 0 H GLU A 25 -13.047 -8.781 -7.696 1.00 0.53 H new ATOM 0 HA GLU A 25 -10.725 -9.958 -6.666 1.00 0.64 H new ATOM 0 HB2 GLU A 25 -13.587 -10.869 -6.281 1.00 0.84 H new ATOM 0 HB3 GLU A 25 -12.229 -11.174 -5.217 1.00 0.84 H new ATOM 0 HG2 GLU A 25 -13.636 -8.544 -5.758 1.00 0.90 H new ATOM 0 HG3 GLU A 25 -13.442 -9.374 -4.227 1.00 0.90 H new ATOM 367 N LYS A 26 -12.303 -11.872 -8.840 1.00 0.64 N ATOM 368 CA LYS A 26 -12.103 -13.038 -9.673 1.00 0.69 C ATOM 369 C LYS A 26 -10.858 -12.882 -10.556 1.00 0.68 C ATOM 370 O LYS A 26 -10.044 -13.802 -10.660 1.00 0.76 O ATOM 371 CB LYS A 26 -13.389 -13.348 -10.451 1.00 0.76 C ATOM 372 CG LYS A 26 -13.174 -14.631 -11.252 1.00 0.99 C ATOM 373 CD LYS A 26 -14.448 -15.454 -11.489 1.00 1.21 C ATOM 374 CE LYS A 26 -15.446 -14.764 -12.428 1.00 1.26 C ATOM 375 NZ LYS A 26 -16.627 -15.618 -12.690 1.00 1.81 N ATOM 0 H LYS A 26 -13.139 -11.334 -9.067 1.00 0.64 H new ATOM 0 HA LYS A 26 -11.900 -13.908 -9.048 1.00 0.69 H new ATOM 0 HB2 LYS A 26 -14.228 -13.466 -9.765 1.00 0.76 H new ATOM 0 HB3 LYS A 26 -13.637 -12.522 -11.118 1.00 0.76 H new ATOM 0 HG2 LYS A 26 -12.738 -14.373 -12.217 1.00 0.99 H new ATOM 0 HG3 LYS A 26 -12.447 -15.253 -10.730 1.00 0.99 H new ATOM 0 HD2 LYS A 26 -14.175 -16.423 -11.908 1.00 1.21 H new ATOM 0 HD3 LYS A 26 -14.932 -15.646 -10.532 1.00 1.21 H new ATOM 0 HE2 LYS A 26 -15.769 -13.821 -11.987 1.00 1.26 H new ATOM 0 HE3 LYS A 26 -14.954 -14.524 -13.370 1.00 1.26 H new ATOM 0 HZ1 LYS A 26 -17.280 -15.121 -13.328 1.00 1.81 H new ATOM 0 HZ2 LYS A 26 -16.321 -16.508 -13.133 1.00 1.81 H new ATOM 0 HZ3 LYS A 26 -17.111 -15.826 -11.793 1.00 1.81 H new ATOM 389 N GLY A 27 -10.697 -11.722 -11.197 1.00 0.63 N ATOM 390 CA GLY A 27 -9.519 -11.414 -11.994 1.00 0.66 C ATOM 391 C GLY A 27 -8.239 -11.505 -11.160 1.00 0.64 C ATOM 392 O GLY A 27 -7.202 -11.943 -11.650 1.00 0.75 O ATOM 0 H GLY A 27 -11.386 -10.970 -11.174 1.00 0.63 H new ATOM 0 HA2 GLY A 27 -9.457 -12.105 -12.835 1.00 0.66 H new ATOM 0 HA3 GLY A 27 -9.612 -10.411 -12.411 1.00 0.66 H new ATOM 396 N LEU A 28 -8.311 -11.094 -9.895 1.00 0.54 N ATOM 397 CA LEU A 28 -7.218 -11.199 -8.945 1.00 0.50 C ATOM 398 C LEU A 28 -7.004 -12.666 -8.552 1.00 0.52 C ATOM 399 O LEU A 28 -5.867 -13.128 -8.556 1.00 0.54 O ATOM 400 CB LEU A 28 -7.464 -10.257 -7.747 1.00 0.48 C ATOM 401 CG LEU A 28 -6.964 -8.809 -7.960 1.00 0.54 C ATOM 402 CD1 LEU A 28 -5.433 -8.761 -7.995 1.00 1.44 C ATOM 403 CD2 LEU A 28 -7.592 -8.084 -9.154 1.00 1.58 C ATOM 0 H LEU A 28 -9.150 -10.671 -9.499 1.00 0.54 H new ATOM 0 HA LEU A 28 -6.285 -10.868 -9.401 1.00 0.50 H new ATOM 0 HB2 LEU A 28 -8.533 -10.232 -7.534 1.00 0.48 H new ATOM 0 HB3 LEU A 28 -6.973 -10.672 -6.867 1.00 0.48 H new ATOM 0 HG LEU A 28 -7.311 -8.246 -7.093 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -5.105 -7.733 -8.146 1.00 1.44 H new ATOM 0 HD12 LEU A 28 -5.036 -9.134 -7.051 1.00 1.44 H new ATOM 0 HD13 LEU A 28 -5.068 -9.382 -8.813 1.00 1.44 H new ATOM 0 HD21 LEU A 28 -7.182 -7.077 -9.225 1.00 1.58 H new ATOM 0 HD22 LEU A 28 -7.370 -8.632 -10.070 1.00 1.58 H new ATOM 0 HD23 LEU A 28 -8.672 -8.027 -9.018 1.00 1.58 H new ATOM 415 N LYS A 29 -8.074 -13.423 -8.276 1.00 0.55 N ATOM 416 CA LYS A 29 -8.006 -14.851 -7.954 1.00 0.60 C ATOM 417 C LYS A 29 -7.249 -15.641 -9.026 1.00 0.66 C ATOM 418 O LYS A 29 -6.657 -16.675 -8.737 1.00 0.78 O ATOM 419 CB LYS A 29 -9.413 -15.448 -7.743 1.00 0.69 C ATOM 420 CG LYS A 29 -9.402 -16.518 -6.639 1.00 1.01 C ATOM 421 CD LYS A 29 -9.420 -15.855 -5.249 1.00 1.28 C ATOM 422 CE LYS A 29 -10.777 -15.955 -4.535 1.00 1.31 C ATOM 423 NZ LYS A 29 -10.859 -17.160 -3.680 1.00 2.43 N ATOM 0 H LYS A 29 -9.025 -13.053 -8.271 1.00 0.55 H new ATOM 0 HA LYS A 29 -7.452 -14.937 -7.019 1.00 0.60 H new ATOM 0 HB2 LYS A 29 -10.112 -14.655 -7.477 1.00 0.69 H new ATOM 0 HB3 LYS A 29 -9.768 -15.887 -8.675 1.00 0.69 H new ATOM 0 HG2 LYS A 29 -10.267 -17.172 -6.748 1.00 1.01 H new ATOM 0 HG3 LYS A 29 -8.515 -17.144 -6.739 1.00 1.01 H new ATOM 0 HD2 LYS A 29 -8.656 -16.319 -4.625 1.00 1.28 H new ATOM 0 HD3 LYS A 29 -9.151 -14.804 -5.354 1.00 1.28 H new ATOM 0 HE2 LYS A 29 -10.934 -15.065 -3.925 1.00 1.31 H new ATOM 0 HE3 LYS A 29 -11.577 -15.979 -5.275 1.00 1.31 H new ATOM 0 HZ1 LYS A 29 -11.721 -17.116 -3.100 1.00 2.43 H new ATOM 0 HZ2 LYS A 29 -10.888 -18.010 -4.279 1.00 2.43 H new ATOM 0 HZ3 LYS A 29 -10.026 -17.202 -3.059 1.00 2.43 H new ATOM 437 N ARG A 30 -7.280 -15.152 -10.268 1.00 0.63 N ATOM 438 CA ARG A 30 -6.507 -15.692 -11.379 1.00 0.70 C ATOM 439 C ARG A 30 -5.010 -15.833 -11.046 1.00 0.69 C ATOM 440 O ARG A 30 -4.333 -16.673 -11.635 1.00 0.78 O ATOM 441 CB ARG A 30 -6.709 -14.783 -12.603 1.00 0.75 C ATOM 442 CG ARG A 30 -6.749 -15.529 -13.944 1.00 0.92 C ATOM 443 CD ARG A 30 -8.067 -16.302 -14.107 1.00 1.36 C ATOM 444 NE ARG A 30 -8.321 -16.648 -15.516 1.00 1.72 N ATOM 445 CZ ARG A 30 -9.463 -17.191 -15.971 1.00 2.43 C ATOM 446 NH1 ARG A 30 -10.418 -17.547 -15.105 1.00 3.43 N ATOM 447 NH2 ARG A 30 -9.650 -17.366 -17.285 1.00 2.86 N ATOM 0 H ARG A 30 -7.857 -14.353 -10.530 1.00 0.63 H new ATOM 0 HA ARG A 30 -6.866 -16.699 -11.591 1.00 0.70 H new ATOM 0 HB2 ARG A 30 -7.640 -14.230 -12.480 1.00 0.75 H new ATOM 0 HB3 ARG A 30 -5.904 -14.049 -12.633 1.00 0.75 H new ATOM 0 HG2 ARG A 30 -6.637 -14.818 -14.763 1.00 0.92 H new ATOM 0 HG3 ARG A 30 -5.908 -16.220 -14.005 1.00 0.92 H new ATOM 0 HD2 ARG A 30 -8.032 -17.212 -13.509 1.00 1.36 H new ATOM 0 HD3 ARG A 30 -8.892 -15.701 -13.725 1.00 1.36 H new ATOM 0 HE ARG A 30 -7.580 -16.463 -16.192 1.00 1.72 H new ATOM 0 HH11 ARG A 30 -10.278 -17.406 -14.105 1.00 3.43 H new ATOM 0 HH12 ARG A 30 -11.287 -17.960 -15.445 1.00 3.43 H new ATOM 0 HH21 ARG A 30 -8.924 -17.087 -17.945 1.00 2.86 H new ATOM 0 HH22 ARG A 30 -10.518 -17.779 -17.626 1.00 2.86 H new ATOM 461 N MET A 31 -4.474 -14.989 -10.157 1.00 0.59 N ATOM 462 CA MET A 31 -3.061 -14.974 -9.805 1.00 0.59 C ATOM 463 C MET A 31 -2.731 -16.098 -8.821 1.00 0.60 C ATOM 464 O MET A 31 -3.342 -16.148 -7.750 1.00 0.75 O ATOM 465 CB MET A 31 -2.667 -13.599 -9.241 1.00 0.58 C ATOM 466 CG MET A 31 -2.977 -12.406 -10.165 1.00 0.67 C ATOM 467 SD MET A 31 -1.656 -11.802 -11.260 1.00 1.21 S ATOM 468 CE MET A 31 -1.305 -13.246 -12.284 1.00 1.70 C ATOM 0 H MET A 31 -5.023 -14.289 -9.658 1.00 0.59 H new ATOM 0 HA MET A 31 -2.476 -15.149 -10.708 1.00 0.59 H new ATOM 0 HB2 MET A 31 -3.184 -13.450 -8.293 1.00 0.58 H new ATOM 0 HB3 MET A 31 -1.599 -13.604 -9.024 1.00 0.58 H new ATOM 0 HG2 MET A 31 -3.828 -12.680 -10.789 1.00 0.67 H new ATOM 0 HG3 MET A 31 -3.297 -11.574 -9.538 1.00 0.67 H new ATOM 0 HE1 MET A 31 -0.721 -12.943 -13.153 1.00 1.70 H new ATOM 0 HE2 MET A 31 -0.739 -13.975 -11.704 1.00 1.70 H new ATOM 0 HE3 MET A 31 -2.242 -13.694 -12.615 1.00 1.70 H new ATOM 478 N PRO A 32 -1.754 -16.974 -9.137 1.00 0.81 N ATOM 479 CA PRO A 32 -1.289 -17.994 -8.217 1.00 0.78 C ATOM 480 C PRO A 32 -0.534 -17.285 -7.099 1.00 1.21 C ATOM 481 O PRO A 32 0.675 -17.119 -7.151 1.00 3.14 O ATOM 482 CB PRO A 32 -0.391 -18.921 -9.041 1.00 1.17 C ATOM 483 CG PRO A 32 0.209 -17.978 -10.080 1.00 1.54 C ATOM 484 CD PRO A 32 -0.911 -16.965 -10.326 1.00 1.21 C ATOM 0 HA PRO A 32 -2.084 -18.582 -7.759 1.00 0.78 H new ATOM 0 HB2 PRO A 32 0.379 -19.388 -8.427 1.00 1.17 H new ATOM 0 HB3 PRO A 32 -0.960 -19.726 -9.506 1.00 1.17 H new ATOM 0 HG2 PRO A 32 1.114 -17.495 -9.710 1.00 1.54 H new ATOM 0 HG3 PRO A 32 0.481 -18.507 -10.994 1.00 1.54 H new ATOM 0 HD2 PRO A 32 -0.501 -15.970 -10.502 1.00 1.21 H new ATOM 0 HD3 PRO A 32 -1.488 -17.233 -11.211 1.00 1.21 H new ATOM 492 N GLY A 33 -1.288 -16.786 -6.133 1.00 0.95 N ATOM 493 CA GLY A 33 -0.792 -16.106 -4.954 1.00 0.77 C ATOM 494 C GLY A 33 -1.982 -15.581 -4.168 1.00 0.66 C ATOM 495 O GLY A 33 -1.995 -15.653 -2.943 1.00 0.71 O ATOM 0 H GLY A 33 -2.306 -16.848 -6.153 1.00 0.95 H new ATOM 0 HA2 GLY A 33 -0.204 -16.789 -4.341 1.00 0.77 H new ATOM 0 HA3 GLY A 33 -0.133 -15.285 -5.238 1.00 0.77 H new ATOM 499 N VAL A 34 -2.991 -15.059 -4.876 1.00 0.62 N ATOM 500 CA VAL A 34 -4.256 -14.670 -4.281 1.00 0.60 C ATOM 501 C VAL A 34 -4.959 -15.864 -3.643 1.00 0.79 C ATOM 502 O VAL A 34 -5.292 -16.834 -4.321 1.00 0.94 O ATOM 503 CB VAL A 34 -5.123 -13.928 -5.305 1.00 0.61 C ATOM 504 CG1 VAL A 34 -6.518 -13.654 -4.737 1.00 1.45 C ATOM 505 CG2 VAL A 34 -4.475 -12.580 -5.644 1.00 1.12 C ATOM 0 H VAL A 34 -2.943 -14.898 -5.882 1.00 0.62 H new ATOM 0 HA VAL A 34 -4.065 -13.971 -3.467 1.00 0.60 H new ATOM 0 HB VAL A 34 -5.207 -14.552 -6.195 1.00 0.61 H new ATOM 0 HG11 VAL A 34 -7.116 -13.127 -5.480 1.00 1.45 H new ATOM 0 HG12 VAL A 34 -7.001 -14.599 -4.486 1.00 1.45 H new ATOM 0 HG13 VAL A 34 -6.432 -13.041 -3.840 1.00 1.45 H new ATOM 0 HG21 VAL A 34 -5.092 -12.053 -6.372 1.00 1.12 H new ATOM 0 HG22 VAL A 34 -4.389 -11.980 -4.738 1.00 1.12 H new ATOM 0 HG23 VAL A 34 -3.483 -12.748 -6.063 1.00 1.12 H new ATOM 515 N THR A 35 -5.220 -15.759 -2.338 1.00 0.93 N ATOM 516 CA THR A 35 -5.926 -16.764 -1.573 1.00 1.14 C ATOM 517 C THR A 35 -7.392 -16.340 -1.457 1.00 1.13 C ATOM 518 O THR A 35 -8.292 -16.981 -2.020 1.00 1.47 O ATOM 519 CB THR A 35 -5.210 -16.943 -0.225 1.00 1.24 C ATOM 520 OG1 THR A 35 -3.860 -17.242 -0.509 1.00 1.31 O ATOM 521 CG2 THR A 35 -5.789 -18.077 0.625 1.00 1.45 C ATOM 0 H THR A 35 -4.937 -14.953 -1.781 1.00 0.93 H new ATOM 0 HA THR A 35 -5.921 -17.740 -2.057 1.00 1.14 H new ATOM 0 HB THR A 35 -5.333 -16.025 0.349 1.00 1.24 H new ATOM 0 HG1 THR A 35 -3.676 -18.176 -0.275 1.00 1.31 H new ATOM 0 HG21 THR A 35 -5.237 -18.148 1.562 1.00 1.45 H new ATOM 0 HG22 THR A 35 -6.839 -17.874 0.837 1.00 1.45 H new ATOM 0 HG23 THR A 35 -5.704 -19.018 0.082 1.00 1.45 H new ATOM 529 N ASP A 36 -7.623 -15.227 -0.754 1.00 0.89 N ATOM 530 CA ASP A 36 -8.954 -14.773 -0.389 1.00 0.92 C ATOM 531 C ASP A 36 -9.082 -13.293 -0.758 1.00 0.91 C ATOM 532 O ASP A 36 -8.583 -12.412 -0.060 1.00 1.34 O ATOM 533 CB ASP A 36 -9.202 -15.071 1.098 1.00 0.86 C ATOM 534 CG ASP A 36 -10.680 -15.140 1.440 1.00 1.25 C ATOM 535 OD1 ASP A 36 -11.493 -14.815 0.547 1.00 1.48 O ATOM 536 OD2 ASP A 36 -10.976 -15.521 2.590 1.00 2.31 O ATOM 0 H ASP A 36 -6.878 -14.614 -0.422 1.00 0.89 H new ATOM 0 HA ASP A 36 -9.730 -15.306 -0.939 1.00 0.92 H new ATOM 0 HB2 ASP A 36 -8.728 -16.017 1.359 1.00 0.86 H new ATOM 0 HB3 ASP A 36 -8.728 -14.299 1.704 1.00 0.86 H new ATOM 541 N ALA A 37 -9.673 -13.035 -1.924 1.00 0.66 N ATOM 542 CA ALA A 37 -9.840 -11.713 -2.509 1.00 0.55 C ATOM 543 C ALA A 37 -11.264 -11.254 -2.225 1.00 0.54 C ATOM 544 O ALA A 37 -12.202 -11.920 -2.665 1.00 0.65 O ATOM 545 CB ALA A 37 -9.561 -11.806 -4.010 1.00 0.61 C ATOM 0 H ALA A 37 -10.063 -13.775 -2.508 1.00 0.66 H new ATOM 0 HA ALA A 37 -9.147 -10.988 -2.082 1.00 0.55 H new ATOM 0 HB1 ALA A 37 -9.682 -10.823 -4.464 1.00 0.61 H new ATOM 0 HB2 ALA A 37 -8.541 -12.156 -4.170 1.00 0.61 H new ATOM 0 HB3 ALA A 37 -10.261 -12.505 -4.467 1.00 0.61 H new ATOM 551 N ASN A 38 -11.427 -10.180 -1.447 1.00 0.50 N ATOM 552 CA ASN A 38 -12.728 -9.682 -1.036 1.00 0.57 C ATOM 553 C ASN A 38 -12.768 -8.172 -1.219 1.00 0.46 C ATOM 554 O ASN A 38 -11.739 -7.498 -1.193 1.00 0.36 O ATOM 555 CB ASN A 38 -12.998 -10.042 0.430 1.00 0.72 C ATOM 556 CG ASN A 38 -13.095 -11.548 0.625 1.00 1.08 C ATOM 557 OD1 ASN A 38 -14.188 -12.107 0.619 1.00 2.38 O ATOM 558 ND2 ASN A 38 -11.953 -12.203 0.789 1.00 0.81 N ATOM 0 H ASN A 38 -10.647 -9.631 -1.085 1.00 0.50 H new ATOM 0 HA ASN A 38 -13.500 -10.144 -1.651 1.00 0.57 H new ATOM 0 HB2 ASN A 38 -12.200 -9.643 1.057 1.00 0.72 H new ATOM 0 HB3 ASN A 38 -13.925 -9.571 0.757 1.00 0.72 H new ATOM 0 HD21 ASN A 38 -11.959 -13.215 0.917 1.00 0.81 H new ATOM 0 HD22 ASN A 38 -11.069 -11.695 0.787 1.00 0.81 H new ATOM 565 N VAL A 39 -13.976 -7.636 -1.378 1.00 0.61 N ATOM 566 CA VAL A 39 -14.199 -6.210 -1.485 1.00 0.53 C ATOM 567 C VAL A 39 -15.606 -5.899 -1.005 1.00 0.81 C ATOM 568 O VAL A 39 -16.588 -6.454 -1.497 1.00 1.01 O ATOM 569 CB VAL A 39 -13.905 -5.718 -2.911 1.00 0.67 C ATOM 570 CG1 VAL A 39 -14.748 -6.446 -3.958 1.00 1.08 C ATOM 571 CG2 VAL A 39 -14.156 -4.212 -3.045 1.00 0.62 C ATOM 0 H VAL A 39 -14.830 -8.191 -1.436 1.00 0.61 H new ATOM 0 HA VAL A 39 -13.508 -5.662 -0.845 1.00 0.53 H new ATOM 0 HB VAL A 39 -12.852 -5.934 -3.092 1.00 0.67 H new ATOM 0 HG11 VAL A 39 -14.505 -6.065 -4.950 1.00 1.08 H new ATOM 0 HG12 VAL A 39 -14.535 -7.514 -3.918 1.00 1.08 H new ATOM 0 HG13 VAL A 39 -15.806 -6.279 -3.754 1.00 1.08 H new ATOM 0 HG21 VAL A 39 -13.939 -3.896 -4.065 1.00 0.62 H new ATOM 0 HG22 VAL A 39 -15.198 -3.995 -2.812 1.00 0.62 H new ATOM 0 HG23 VAL A 39 -13.510 -3.672 -2.353 1.00 0.62 H new ATOM 581 N ASN A 40 -15.696 -4.999 -0.032 1.00 0.91 N ATOM 582 CA ASN A 40 -16.972 -4.471 0.417 1.00 1.26 C ATOM 583 C ASN A 40 -17.246 -3.239 -0.424 1.00 1.21 C ATOM 584 O ASN A 40 -16.881 -2.138 -0.015 1.00 1.11 O ATOM 585 CB ASN A 40 -16.940 -4.104 1.907 1.00 1.45 C ATOM 586 CG ASN A 40 -17.103 -5.293 2.844 1.00 1.59 C ATOM 587 OD1 ASN A 40 -17.075 -6.449 2.436 1.00 2.35 O ATOM 588 ND2 ASN A 40 -17.303 -5.008 4.126 1.00 1.54 N ATOM 0 H ASN A 40 -14.889 -4.619 0.463 1.00 0.91 H new ATOM 0 HA ASN A 40 -17.755 -5.220 0.300 1.00 1.26 H new ATOM 0 HB2 ASN A 40 -15.995 -3.608 2.128 1.00 1.45 H new ATOM 0 HB3 ASN A 40 -17.733 -3.384 2.110 1.00 1.45 H new ATOM 0 HD21 ASN A 40 -17.438 -5.761 4.801 1.00 1.54 H new ATOM 0 HD22 ASN A 40 -17.321 -4.036 4.436 1.00 1.54 H new ATOM 595 N LEU A 41 -17.906 -3.409 -1.578 1.00 1.33 N ATOM 596 CA LEU A 41 -18.301 -2.279 -2.419 1.00 1.39 C ATOM 597 C LEU A 41 -19.117 -1.260 -1.624 1.00 1.48 C ATOM 598 O LEU A 41 -19.039 -0.062 -1.868 1.00 1.50 O ATOM 599 CB LEU A 41 -18.945 -2.727 -3.750 1.00 1.66 C ATOM 600 CG LEU A 41 -20.461 -2.991 -3.841 1.00 2.33 C ATOM 601 CD1 LEU A 41 -20.996 -4.010 -2.830 1.00 1.62 C ATOM 602 CD2 LEU A 41 -21.315 -1.715 -3.870 1.00 3.87 C ATOM 0 H LEU A 41 -18.176 -4.321 -1.948 1.00 1.33 H new ATOM 0 HA LEU A 41 -17.398 -1.754 -2.729 1.00 1.39 H new ATOM 0 HB2 LEU A 41 -18.707 -1.967 -4.494 1.00 1.66 H new ATOM 0 HB3 LEU A 41 -18.441 -3.643 -4.058 1.00 1.66 H new ATOM 0 HG LEU A 41 -20.570 -3.461 -4.818 1.00 2.33 H new ATOM 0 HD11 LEU A 41 -22.070 -4.131 -2.969 1.00 1.62 H new ATOM 0 HD12 LEU A 41 -20.500 -4.969 -2.983 1.00 1.62 H new ATOM 0 HD13 LEU A 41 -20.799 -3.657 -1.818 1.00 1.62 H new ATOM 0 HD21 LEU A 41 -22.369 -1.984 -3.935 1.00 3.87 H new ATOM 0 HD22 LEU A 41 -21.142 -1.141 -2.960 1.00 3.87 H new ATOM 0 HD23 LEU A 41 -21.040 -1.113 -4.736 1.00 3.87 H new ATOM 614 N ALA A 42 -19.841 -1.738 -0.609 1.00 1.61 N ATOM 615 CA ALA A 42 -20.666 -0.923 0.261 1.00 1.72 C ATOM 616 C ALA A 42 -19.840 0.160 0.954 1.00 1.50 C ATOM 617 O ALA A 42 -20.345 1.253 1.198 1.00 1.60 O ATOM 618 CB ALA A 42 -21.362 -1.819 1.290 1.00 1.92 C ATOM 0 H ALA A 42 -19.864 -2.729 -0.370 1.00 1.61 H new ATOM 0 HA ALA A 42 -21.420 -0.418 -0.343 1.00 1.72 H new ATOM 0 HB1 ALA A 42 -21.983 -1.207 1.945 1.00 1.92 H new ATOM 0 HB2 ALA A 42 -21.987 -2.548 0.774 1.00 1.92 H new ATOM 0 HB3 ALA A 42 -20.612 -2.341 1.885 1.00 1.92 H new ATOM 624 N THR A 43 -18.580 -0.148 1.275 1.00 1.26 N ATOM 625 CA THR A 43 -17.633 0.808 1.828 1.00 1.09 C ATOM 626 C THR A 43 -16.449 0.993 0.864 1.00 0.93 C ATOM 627 O THR A 43 -15.383 1.445 1.284 1.00 0.90 O ATOM 628 CB THR A 43 -17.210 0.309 3.220 1.00 1.12 C ATOM 629 OG1 THR A 43 -16.795 -1.043 3.160 1.00 1.17 O ATOM 630 CG2 THR A 43 -18.381 0.388 4.206 1.00 1.37 C ATOM 0 H THR A 43 -18.190 -1.083 1.154 1.00 1.26 H new ATOM 0 HA THR A 43 -18.084 1.794 1.945 1.00 1.09 H new ATOM 0 HB THR A 43 -16.391 0.945 3.554 1.00 1.12 H new ATOM 0 HG1 THR A 43 -15.830 -1.082 2.995 1.00 1.17 H new ATOM 0 HG21 THR A 43 -18.058 0.030 5.184 1.00 1.37 H new ATOM 0 HG22 THR A 43 -18.716 1.422 4.291 1.00 1.37 H new ATOM 0 HG23 THR A 43 -19.202 -0.231 3.846 1.00 1.37 H new ATOM 638 N GLU A 44 -16.624 0.617 -0.412 1.00 0.98 N ATOM 639 CA GLU A 44 -15.589 0.577 -1.440 1.00 0.90 C ATOM 640 C GLU A 44 -14.232 0.068 -0.924 1.00 0.78 C ATOM 641 O GLU A 44 -13.185 0.543 -1.360 1.00 1.07 O ATOM 642 CB GLU A 44 -15.511 1.948 -2.133 1.00 1.04 C ATOM 643 CG GLU A 44 -16.639 2.108 -3.163 1.00 1.52 C ATOM 644 CD GLU A 44 -16.404 3.296 -4.097 1.00 1.94 C ATOM 645 OE1 GLU A 44 -16.274 4.416 -3.559 1.00 1.80 O ATOM 646 OE2 GLU A 44 -16.361 3.070 -5.331 1.00 2.92 O ATOM 0 H GLU A 44 -17.534 0.320 -0.765 1.00 0.98 H new ATOM 0 HA GLU A 44 -15.872 -0.166 -2.185 1.00 0.90 H new ATOM 0 HB2 GLU A 44 -15.579 2.741 -1.388 1.00 1.04 H new ATOM 0 HB3 GLU A 44 -14.545 2.056 -2.626 1.00 1.04 H new ATOM 0 HG2 GLU A 44 -16.722 1.195 -3.753 1.00 1.52 H new ATOM 0 HG3 GLU A 44 -17.588 2.239 -2.643 1.00 1.52 H new ATOM 653 N THR A 45 -14.238 -0.910 -0.010 1.00 0.53 N ATOM 654 CA THR A 45 -13.062 -1.348 0.712 1.00 0.49 C ATOM 655 C THR A 45 -12.595 -2.647 0.082 1.00 0.38 C ATOM 656 O THR A 45 -13.250 -3.663 0.293 1.00 0.51 O ATOM 657 CB THR A 45 -13.465 -1.593 2.169 1.00 0.94 C ATOM 658 OG1 THR A 45 -14.155 -0.483 2.708 1.00 1.47 O ATOM 659 CG2 THR A 45 -12.243 -1.876 3.027 1.00 0.93 C ATOM 0 H THR A 45 -15.083 -1.422 0.245 1.00 0.53 H new ATOM 0 HA THR A 45 -12.264 -0.606 0.673 1.00 0.49 H new ATOM 0 HB THR A 45 -14.126 -2.459 2.175 1.00 0.94 H new ATOM 0 HG1 THR A 45 -14.341 0.164 1.996 1.00 1.47 H new ATOM 0 HG21 THR A 45 -12.554 -2.047 4.058 1.00 0.93 H new ATOM 0 HG22 THR A 45 -11.731 -2.762 2.651 1.00 0.93 H new ATOM 0 HG23 THR A 45 -11.566 -1.023 2.989 1.00 0.93 H new ATOM 667 N VAL A 46 -11.504 -2.635 -0.681 1.00 0.26 N ATOM 668 CA VAL A 46 -10.930 -3.839 -1.250 1.00 0.24 C ATOM 669 C VAL A 46 -9.932 -4.400 -0.244 1.00 0.28 C ATOM 670 O VAL A 46 -9.013 -3.697 0.175 1.00 0.34 O ATOM 671 CB VAL A 46 -10.310 -3.546 -2.629 1.00 0.29 C ATOM 672 CG1 VAL A 46 -9.330 -2.362 -2.649 1.00 0.39 C ATOM 673 CG2 VAL A 46 -9.588 -4.774 -3.179 1.00 0.40 C ATOM 0 H VAL A 46 -10.996 -1.783 -0.919 1.00 0.26 H new ATOM 0 HA VAL A 46 -11.695 -4.594 -1.432 1.00 0.24 H new ATOM 0 HB VAL A 46 -11.160 -3.277 -3.256 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -8.942 -2.228 -3.659 1.00 0.39 H new ATOM 0 HG12 VAL A 46 -9.848 -1.456 -2.336 1.00 0.39 H new ATOM 0 HG13 VAL A 46 -8.504 -2.562 -1.967 1.00 0.39 H new ATOM 0 HG21 VAL A 46 -9.160 -4.538 -4.153 1.00 0.40 H new ATOM 0 HG22 VAL A 46 -8.792 -5.065 -2.494 1.00 0.40 H new ATOM 0 HG23 VAL A 46 -10.296 -5.596 -3.283 1.00 0.40 H new ATOM 683 N ASN A 47 -10.134 -5.652 0.167 1.00 0.31 N ATOM 684 CA ASN A 47 -9.319 -6.332 1.153 1.00 0.40 C ATOM 685 C ASN A 47 -8.892 -7.691 0.594 1.00 0.50 C ATOM 686 O ASN A 47 -9.687 -8.629 0.546 1.00 0.59 O ATOM 687 CB ASN A 47 -10.052 -6.427 2.496 1.00 0.52 C ATOM 688 CG ASN A 47 -11.384 -7.174 2.444 1.00 1.88 C ATOM 689 OD1 ASN A 47 -12.288 -6.821 1.694 1.00 3.26 O ATOM 690 ND2 ASN A 47 -11.547 -8.189 3.286 1.00 2.62 N ATOM 0 H ASN A 47 -10.893 -6.231 -0.192 1.00 0.31 H new ATOM 0 HA ASN A 47 -8.413 -5.760 1.355 1.00 0.40 H new ATOM 0 HB2 ASN A 47 -9.401 -6.923 3.216 1.00 0.52 H new ATOM 0 HB3 ASN A 47 -10.231 -5.419 2.869 1.00 0.52 H new ATOM 0 HD21 ASN A 47 -12.436 -8.689 3.316 1.00 2.62 H new ATOM 0 HD22 ASN A 47 -10.784 -8.468 3.902 1.00 2.62 H new ATOM 697 N VAL A 48 -7.637 -7.785 0.143 1.00 0.53 N ATOM 698 CA VAL A 48 -7.128 -8.957 -0.567 1.00 0.61 C ATOM 699 C VAL A 48 -6.097 -9.674 0.300 1.00 0.65 C ATOM 700 O VAL A 48 -5.202 -9.027 0.851 1.00 0.65 O ATOM 701 CB VAL A 48 -6.545 -8.578 -1.944 1.00 0.63 C ATOM 702 CG1 VAL A 48 -6.261 -9.824 -2.802 1.00 0.60 C ATOM 703 CG2 VAL A 48 -7.495 -7.644 -2.703 1.00 0.74 C ATOM 0 H VAL A 48 -6.945 -7.046 0.262 1.00 0.53 H new ATOM 0 HA VAL A 48 -7.958 -9.637 -0.757 1.00 0.61 H new ATOM 0 HB VAL A 48 -5.603 -8.061 -1.759 1.00 0.63 H new ATOM 0 HG11 VAL A 48 -5.851 -9.517 -3.764 1.00 0.60 H new ATOM 0 HG12 VAL A 48 -5.542 -10.463 -2.289 1.00 0.60 H new ATOM 0 HG13 VAL A 48 -7.188 -10.375 -2.961 1.00 0.60 H new ATOM 0 HG21 VAL A 48 -7.061 -7.392 -3.671 1.00 0.74 H new ATOM 0 HG22 VAL A 48 -8.452 -8.143 -2.854 1.00 0.74 H new ATOM 0 HG23 VAL A 48 -7.648 -6.733 -2.125 1.00 0.74 H new ATOM 713 N ILE A 49 -6.224 -11.002 0.401 1.00 0.71 N ATOM 714 CA ILE A 49 -5.344 -11.875 1.170 1.00 0.78 C ATOM 715 C ILE A 49 -4.646 -12.822 0.197 1.00 0.83 C ATOM 716 O ILE A 49 -5.307 -13.528 -0.573 1.00 0.81 O ATOM 717 CB ILE A 49 -6.111 -12.655 2.253 1.00 0.81 C ATOM 718 CG1 ILE A 49 -6.997 -11.698 3.075 1.00 0.92 C ATOM 719 CG2 ILE A 49 -5.132 -13.445 3.138 1.00 0.82 C ATOM 720 CD1 ILE A 49 -7.690 -12.364 4.266 1.00 1.31 C ATOM 0 H ILE A 49 -6.971 -11.512 -0.070 1.00 0.71 H new ATOM 0 HA ILE A 49 -4.607 -11.270 1.698 1.00 0.78 H new ATOM 0 HB ILE A 49 -6.771 -13.379 1.775 1.00 0.81 H new ATOM 0 HG12 ILE A 49 -6.384 -10.873 3.438 1.00 0.92 H new ATOM 0 HG13 ILE A 49 -7.755 -11.268 2.420 1.00 0.92 H new ATOM 0 HG21 ILE A 49 -5.689 -13.991 3.899 1.00 0.82 H new ATOM 0 HG22 ILE A 49 -4.572 -14.149 2.523 1.00 0.82 H new ATOM 0 HG23 ILE A 49 -4.440 -12.755 3.621 1.00 0.82 H new ATOM 0 HD11 ILE A 49 -8.294 -11.627 4.794 1.00 1.31 H new ATOM 0 HD12 ILE A 49 -8.331 -13.171 3.910 1.00 1.31 H new ATOM 0 HD13 ILE A 49 -6.939 -12.770 4.944 1.00 1.31 H new ATOM 732 N TYR A 50 -3.313 -12.786 0.177 1.00 0.88 N ATOM 733 CA TYR A 50 -2.510 -13.447 -0.839 1.00 0.85 C ATOM 734 C TYR A 50 -1.093 -13.667 -0.310 1.00 0.89 C ATOM 735 O TYR A 50 -0.730 -13.074 0.709 1.00 0.95 O ATOM 736 CB TYR A 50 -2.492 -12.557 -2.091 1.00 0.77 C ATOM 737 CG TYR A 50 -1.906 -11.180 -1.907 1.00 0.75 C ATOM 738 CD1 TYR A 50 -2.706 -10.180 -1.330 1.00 2.00 C ATOM 739 CD2 TYR A 50 -0.656 -10.852 -2.458 1.00 1.53 C ATOM 740 CE1 TYR A 50 -2.213 -8.882 -1.191 1.00 1.95 C ATOM 741 CE2 TYR A 50 -0.189 -9.528 -2.379 1.00 1.58 C ATOM 742 CZ TYR A 50 -0.930 -8.574 -1.663 1.00 0.73 C ATOM 743 OH TYR A 50 -0.354 -7.382 -1.351 1.00 0.78 O ATOM 0 H TYR A 50 -2.759 -12.290 0.876 1.00 0.88 H new ATOM 0 HA TYR A 50 -2.932 -14.420 -1.090 1.00 0.85 H new ATOM 0 HB2 TYR A 50 -1.929 -13.070 -2.871 1.00 0.77 H new ATOM 0 HB3 TYR A 50 -3.514 -12.451 -2.453 1.00 0.77 H new ATOM 0 HD1 TYR A 50 -3.705 -10.416 -0.993 1.00 2.00 H new ATOM 0 HD2 TYR A 50 -0.058 -11.612 -2.939 1.00 1.53 H new ATOM 0 HE1 TYR A 50 -2.817 -8.119 -0.722 1.00 1.95 H new ATOM 0 HE2 TYR A 50 0.733 -9.247 -2.866 1.00 1.58 H new ATOM 0 HH TYR A 50 -0.967 -6.859 -0.793 1.00 0.78 H new ATOM 753 N ASP A 51 -0.275 -14.457 -1.019 1.00 0.85 N ATOM 754 CA ASP A 51 1.099 -14.730 -0.582 1.00 0.87 C ATOM 755 C ASP A 51 2.096 -13.679 -1.109 1.00 0.85 C ATOM 756 O ASP A 51 2.104 -13.386 -2.309 1.00 0.81 O ATOM 757 CB ASP A 51 1.528 -16.154 -0.968 1.00 0.95 C ATOM 758 CG ASP A 51 1.734 -16.990 0.283 1.00 1.88 C ATOM 759 OD1 ASP A 51 2.802 -16.827 0.904 1.00 2.08 O ATOM 760 OD2 ASP A 51 0.781 -17.708 0.648 1.00 3.23 O ATOM 0 H ASP A 51 -0.539 -14.915 -1.891 1.00 0.85 H new ATOM 0 HA ASP A 51 1.112 -14.658 0.506 1.00 0.87 H new ATOM 0 HB2 ASP A 51 0.769 -16.613 -1.601 1.00 0.95 H new ATOM 0 HB3 ASP A 51 2.450 -16.120 -1.549 1.00 0.95 H new ATOM 765 N PRO A 52 2.971 -13.101 -0.261 1.00 0.91 N ATOM 766 CA PRO A 52 3.935 -12.078 -0.661 1.00 0.93 C ATOM 767 C PRO A 52 5.155 -12.659 -1.386 1.00 0.98 C ATOM 768 O PRO A 52 6.270 -12.191 -1.162 1.00 1.13 O ATOM 769 CB PRO A 52 4.364 -11.396 0.651 1.00 1.04 C ATOM 770 CG PRO A 52 4.234 -12.518 1.677 1.00 1.12 C ATOM 771 CD PRO A 52 3.049 -13.337 1.172 1.00 1.01 C ATOM 0 HA PRO A 52 3.484 -11.386 -1.372 1.00 0.93 H new ATOM 0 HB2 PRO A 52 5.384 -11.017 0.594 1.00 1.04 H new ATOM 0 HB3 PRO A 52 3.722 -10.549 0.895 1.00 1.04 H new ATOM 0 HG2 PRO A 52 5.142 -13.119 1.730 1.00 1.12 H new ATOM 0 HG3 PRO A 52 4.052 -12.126 2.678 1.00 1.12 H new ATOM 0 HD2 PRO A 52 3.190 -14.397 1.384 1.00 1.01 H new ATOM 0 HD3 PRO A 52 2.127 -13.033 1.667 1.00 1.01 H new ATOM 779 N ALA A 53 4.976 -13.641 -2.271 1.00 0.91 N ATOM 780 CA ALA A 53 6.131 -14.270 -2.922 1.00 0.93 C ATOM 781 C ALA A 53 5.808 -14.900 -4.267 1.00 0.85 C ATOM 782 O ALA A 53 6.553 -15.745 -4.756 1.00 1.14 O ATOM 783 CB ALA A 53 6.763 -15.302 -1.982 1.00 1.10 C ATOM 0 H ALA A 53 4.068 -14.012 -2.550 1.00 0.91 H new ATOM 0 HA ALA A 53 6.842 -13.471 -3.131 1.00 0.93 H new ATOM 0 HB1 ALA A 53 7.620 -15.764 -2.472 1.00 1.10 H new ATOM 0 HB2 ALA A 53 7.091 -14.808 -1.068 1.00 1.10 H new ATOM 0 HB3 ALA A 53 6.028 -16.069 -1.736 1.00 1.10 H new ATOM 789 N GLU A 54 4.715 -14.441 -4.868 1.00 0.70 N ATOM 790 CA GLU A 54 4.225 -14.934 -6.139 1.00 0.72 C ATOM 791 C GLU A 54 3.590 -13.811 -6.960 1.00 0.72 C ATOM 792 O GLU A 54 3.769 -13.763 -8.173 1.00 0.83 O ATOM 793 CB GLU A 54 3.203 -16.050 -5.910 1.00 0.72 C ATOM 794 CG GLU A 54 3.784 -17.274 -5.189 1.00 0.73 C ATOM 795 CD GLU A 54 2.857 -18.477 -5.312 1.00 0.77 C ATOM 796 OE1 GLU A 54 1.918 -18.555 -4.491 1.00 1.72 O ATOM 797 OE2 GLU A 54 3.112 -19.298 -6.220 1.00 1.87 O ATOM 0 H GLU A 54 4.137 -13.700 -4.472 1.00 0.70 H new ATOM 0 HA GLU A 54 5.074 -15.328 -6.698 1.00 0.72 H new ATOM 0 HB2 GLU A 54 2.371 -15.656 -5.327 1.00 0.72 H new ATOM 0 HB3 GLU A 54 2.798 -16.363 -6.872 1.00 0.72 H new ATOM 0 HG2 GLU A 54 4.759 -17.518 -5.610 1.00 0.73 H new ATOM 0 HG3 GLU A 54 3.941 -17.039 -4.136 1.00 0.73 H new ATOM 804 N THR A 55 2.814 -12.929 -6.314 1.00 0.65 N ATOM 805 CA THR A 55 2.004 -11.942 -6.996 1.00 0.62 C ATOM 806 C THR A 55 2.631 -10.574 -6.726 1.00 0.61 C ATOM 807 O THR A 55 3.334 -10.040 -7.581 1.00 0.70 O ATOM 808 CB THR A 55 0.569 -12.129 -6.498 1.00 0.61 C ATOM 809 OG1 THR A 55 0.062 -13.361 -6.967 1.00 0.69 O ATOM 810 CG2 THR A 55 -0.359 -11.021 -6.965 1.00 0.66 C ATOM 0 H THR A 55 2.739 -12.890 -5.298 1.00 0.65 H new ATOM 0 HA THR A 55 1.968 -12.043 -8.081 1.00 0.62 H new ATOM 0 HB THR A 55 0.605 -12.106 -5.409 1.00 0.61 H new ATOM 0 HG1 THR A 55 -0.856 -13.480 -6.646 1.00 0.69 H new ATOM 0 HG21 THR A 55 -1.364 -11.203 -6.584 1.00 0.66 H new ATOM 0 HG22 THR A 55 0.002 -10.063 -6.593 1.00 0.66 H new ATOM 0 HG23 THR A 55 -0.383 -11.001 -8.055 1.00 0.66 H new ATOM 818 N GLY A 56 2.431 -10.026 -5.523 1.00 0.57 N ATOM 819 CA GLY A 56 3.098 -8.813 -5.090 1.00 0.67 C ATOM 820 C GLY A 56 2.099 -7.667 -5.102 1.00 0.64 C ATOM 821 O GLY A 56 1.371 -7.485 -6.070 1.00 0.65 O ATOM 0 H GLY A 56 1.798 -10.419 -4.826 1.00 0.57 H new ATOM 0 HA2 GLY A 56 3.507 -8.945 -4.088 1.00 0.67 H new ATOM 0 HA3 GLY A 56 3.936 -8.588 -5.749 1.00 0.67 H new ATOM 825 N THR A 57 2.049 -6.913 -4.003 1.00 0.64 N ATOM 826 CA THR A 57 1.112 -5.804 -3.796 1.00 0.67 C ATOM 827 C THR A 57 0.993 -4.889 -5.029 1.00 0.70 C ATOM 828 O THR A 57 -0.111 -4.520 -5.436 1.00 0.69 O ATOM 829 CB THR A 57 1.428 -5.055 -2.493 1.00 0.78 C ATOM 830 OG1 THR A 57 0.528 -3.986 -2.298 1.00 0.79 O ATOM 831 CG2 THR A 57 2.853 -4.530 -2.469 1.00 0.97 C ATOM 0 H THR A 57 2.675 -7.059 -3.211 1.00 0.64 H new ATOM 0 HA THR A 57 0.115 -6.227 -3.675 1.00 0.67 H new ATOM 0 HB THR A 57 1.317 -5.774 -1.682 1.00 0.78 H new ATOM 0 HG1 THR A 57 0.746 -3.523 -1.462 1.00 0.79 H new ATOM 0 HG21 THR A 57 3.032 -4.007 -1.529 1.00 0.97 H new ATOM 0 HG22 THR A 57 3.549 -5.364 -2.559 1.00 0.97 H new ATOM 0 HG23 THR A 57 3.001 -3.842 -3.301 1.00 0.97 H new ATOM 839 N ALA A 58 2.124 -4.581 -5.663 1.00 0.75 N ATOM 840 CA ALA A 58 2.163 -3.745 -6.856 1.00 0.81 C ATOM 841 C ALA A 58 1.426 -4.434 -8.005 1.00 0.76 C ATOM 842 O ALA A 58 0.719 -3.782 -8.760 1.00 0.74 O ATOM 843 CB ALA A 58 3.620 -3.458 -7.225 1.00 0.92 C ATOM 0 H ALA A 58 3.042 -4.907 -5.360 1.00 0.75 H new ATOM 0 HA ALA A 58 1.661 -2.798 -6.659 1.00 0.81 H new ATOM 0 HB1 ALA A 58 3.653 -2.833 -8.117 1.00 0.92 H new ATOM 0 HB2 ALA A 58 4.109 -2.939 -6.400 1.00 0.92 H new ATOM 0 HB3 ALA A 58 4.138 -4.397 -7.421 1.00 0.92 H new ATOM 849 N ALA A 59 1.544 -5.757 -8.128 1.00 0.74 N ATOM 850 CA ALA A 59 0.789 -6.491 -9.126 1.00 0.72 C ATOM 851 C ALA A 59 -0.698 -6.514 -8.771 1.00 0.66 C ATOM 852 O ALA A 59 -1.537 -6.443 -9.663 1.00 0.66 O ATOM 853 CB ALA A 59 1.326 -7.907 -9.276 1.00 0.72 C ATOM 0 H ALA A 59 2.154 -6.334 -7.549 1.00 0.74 H new ATOM 0 HA ALA A 59 0.904 -5.980 -10.082 1.00 0.72 H new ATOM 0 HB1 ALA A 59 0.745 -8.439 -10.029 1.00 0.72 H new ATOM 0 HB2 ALA A 59 2.371 -7.869 -9.584 1.00 0.72 H new ATOM 0 HB3 ALA A 59 1.247 -8.429 -8.322 1.00 0.72 H new ATOM 859 N ILE A 60 -1.042 -6.606 -7.477 1.00 0.62 N ATOM 860 CA ILE A 60 -2.440 -6.517 -7.052 1.00 0.56 C ATOM 861 C ILE A 60 -3.010 -5.213 -7.608 1.00 0.53 C ATOM 862 O ILE A 60 -3.982 -5.215 -8.366 1.00 0.50 O ATOM 863 CB ILE A 60 -2.624 -6.571 -5.514 1.00 0.60 C ATOM 864 CG1 ILE A 60 -1.806 -7.642 -4.797 1.00 0.84 C ATOM 865 CG2 ILE A 60 -4.089 -6.781 -5.106 1.00 0.45 C ATOM 866 CD1 ILE A 60 -2.285 -9.066 -5.023 1.00 0.54 C ATOM 0 H ILE A 60 -0.376 -6.741 -6.716 1.00 0.62 H new ATOM 0 HA ILE A 60 -2.971 -7.386 -7.440 1.00 0.56 H new ATOM 0 HB ILE A 60 -2.259 -5.593 -5.201 1.00 0.60 H new ATOM 0 HG12 ILE A 60 -0.769 -7.566 -5.123 1.00 0.84 H new ATOM 0 HG13 ILE A 60 -1.820 -7.434 -3.727 1.00 0.84 H new ATOM 0 HG21 ILE A 60 -4.163 -6.811 -4.019 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -4.695 -5.959 -5.488 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -4.451 -7.722 -5.521 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.644 -9.757 -4.475 1.00 0.54 H new ATOM 0 HD12 ILE A 60 -3.311 -9.165 -4.669 1.00 0.54 H new ATOM 0 HD13 ILE A 60 -2.244 -9.299 -6.087 1.00 0.54 H new ATOM 878 N GLN A 61 -2.365 -4.095 -7.258 1.00 0.58 N ATOM 879 CA GLN A 61 -2.844 -2.791 -7.679 1.00 0.61 C ATOM 880 C GLN A 61 -2.798 -2.673 -9.212 1.00 0.66 C ATOM 881 O GLN A 61 -3.753 -2.180 -9.813 1.00 0.67 O ATOM 882 CB GLN A 61 -2.207 -1.660 -6.846 1.00 0.74 C ATOM 883 CG GLN A 61 -0.869 -1.090 -7.333 1.00 0.98 C ATOM 884 CD GLN A 61 -1.066 -0.063 -8.431 1.00 1.09 C ATOM 885 OE1 GLN A 61 -0.880 -0.364 -9.603 1.00 2.70 O ATOM 886 NE2 GLN A 61 -1.473 1.138 -8.057 1.00 0.98 N ATOM 0 H GLN A 61 -1.518 -4.075 -6.689 1.00 0.58 H new ATOM 0 HA GLN A 61 -3.903 -2.670 -7.451 1.00 0.61 H new ATOM 0 HB2 GLN A 61 -2.922 -0.839 -6.791 1.00 0.74 H new ATOM 0 HB3 GLN A 61 -2.066 -2.029 -5.830 1.00 0.74 H new ATOM 0 HG2 GLN A 61 -0.342 -0.632 -6.496 1.00 0.98 H new ATOM 0 HG3 GLN A 61 -0.240 -1.901 -7.701 1.00 0.98 H new ATOM 0 HE21 GLN A 61 -1.615 1.343 -7.068 1.00 0.98 H new ATOM 0 HE22 GLN A 61 -1.645 1.859 -8.757 1.00 0.98 H new ATOM 895 N GLU A 62 -1.761 -3.224 -9.861 1.00 0.69 N ATOM 896 CA GLU A 62 -1.677 -3.247 -11.317 1.00 0.75 C ATOM 897 C GLU A 62 -2.911 -3.944 -11.889 1.00 0.71 C ATOM 898 O GLU A 62 -3.467 -3.499 -12.891 1.00 0.74 O ATOM 899 CB GLU A 62 -0.402 -3.975 -11.763 1.00 0.83 C ATOM 900 CG GLU A 62 -0.180 -3.948 -13.283 1.00 0.96 C ATOM 901 CD GLU A 62 0.805 -5.026 -13.718 1.00 1.41 C ATOM 902 OE1 GLU A 62 1.822 -5.202 -13.019 1.00 2.45 O ATOM 903 OE2 GLU A 62 0.501 -5.679 -14.745 1.00 1.84 O ATOM 0 H GLU A 62 -0.968 -3.660 -9.391 1.00 0.69 H new ATOM 0 HA GLU A 62 -1.639 -2.223 -11.690 1.00 0.75 H new ATOM 0 HB2 GLU A 62 0.457 -3.520 -11.270 1.00 0.83 H new ATOM 0 HB3 GLU A 62 -0.449 -5.012 -11.429 1.00 0.83 H new ATOM 0 HG2 GLU A 62 -1.132 -4.094 -13.794 1.00 0.96 H new ATOM 0 HG3 GLU A 62 0.195 -2.969 -13.581 1.00 0.96 H new ATOM 910 N LYS A 63 -3.334 -5.062 -11.286 1.00 0.65 N ATOM 911 CA LYS A 63 -4.425 -5.842 -11.809 1.00 0.64 C ATOM 912 C LYS A 63 -5.707 -5.020 -11.672 1.00 0.59 C ATOM 913 O LYS A 63 -6.466 -4.930 -12.633 1.00 0.61 O ATOM 914 CB LYS A 63 -4.448 -7.180 -11.066 1.00 0.68 C ATOM 915 CG LYS A 63 -5.219 -8.282 -11.796 1.00 0.76 C ATOM 916 CD LYS A 63 -4.341 -9.278 -12.561 1.00 1.26 C ATOM 917 CE LYS A 63 -3.712 -8.679 -13.822 1.00 1.26 C ATOM 918 NZ LYS A 63 -3.048 -9.723 -14.626 1.00 2.24 N ATOM 0 H LYS A 63 -2.924 -5.436 -10.430 1.00 0.65 H new ATOM 0 HA LYS A 63 -4.317 -6.074 -12.869 1.00 0.64 H new ATOM 0 HB2 LYS A 63 -3.423 -7.513 -10.906 1.00 0.68 H new ATOM 0 HB3 LYS A 63 -4.892 -7.030 -10.082 1.00 0.68 H new ATOM 0 HG2 LYS A 63 -5.818 -8.830 -11.069 1.00 0.76 H new ATOM 0 HG3 LYS A 63 -5.914 -7.818 -12.496 1.00 0.76 H new ATOM 0 HD2 LYS A 63 -3.550 -9.636 -11.902 1.00 1.26 H new ATOM 0 HD3 LYS A 63 -4.942 -10.144 -12.838 1.00 1.26 H new ATOM 0 HE2 LYS A 63 -4.481 -8.189 -14.419 1.00 1.26 H new ATOM 0 HE3 LYS A 63 -2.988 -7.913 -13.544 1.00 1.26 H new ATOM 0 HZ1 LYS A 63 -2.629 -9.293 -15.475 1.00 2.24 H new ATOM 0 HZ2 LYS A 63 -2.300 -10.173 -14.061 1.00 2.24 H new ATOM 0 HZ3 LYS A 63 -3.746 -10.440 -14.909 1.00 2.24 H new ATOM 932 N ILE A 64 -5.926 -4.382 -10.514 1.00 0.54 N ATOM 933 CA ILE A 64 -7.043 -3.460 -10.319 1.00 0.51 C ATOM 934 C ILE A 64 -7.053 -2.405 -11.434 1.00 0.55 C ATOM 935 O ILE A 64 -8.079 -2.200 -12.085 1.00 0.57 O ATOM 936 CB ILE A 64 -6.988 -2.823 -8.914 1.00 0.47 C ATOM 937 CG1 ILE A 64 -7.121 -3.908 -7.827 1.00 0.47 C ATOM 938 CG2 ILE A 64 -8.109 -1.788 -8.750 1.00 0.46 C ATOM 939 CD1 ILE A 64 -6.896 -3.373 -6.409 1.00 0.59 C ATOM 0 H ILE A 64 -5.333 -4.493 -9.691 1.00 0.54 H new ATOM 0 HA ILE A 64 -7.980 -4.014 -10.379 1.00 0.51 H new ATOM 0 HB ILE A 64 -6.025 -2.324 -8.803 1.00 0.47 H new ATOM 0 HG12 ILE A 64 -8.114 -4.353 -7.887 1.00 0.47 H new ATOM 0 HG13 ILE A 64 -6.403 -4.703 -8.027 1.00 0.47 H new ATOM 0 HG21 ILE A 64 -8.056 -1.349 -7.754 1.00 0.46 H new ATOM 0 HG22 ILE A 64 -7.993 -1.004 -9.499 1.00 0.46 H new ATOM 0 HG23 ILE A 64 -9.076 -2.275 -8.881 1.00 0.46 H new ATOM 0 HD11 ILE A 64 -7.004 -4.187 -5.692 1.00 0.59 H new ATOM 0 HD12 ILE A 64 -5.893 -2.953 -6.333 1.00 0.59 H new ATOM 0 HD13 ILE A 64 -7.631 -2.598 -6.192 1.00 0.59 H new ATOM 951 N GLU A 65 -5.913 -1.747 -11.669 1.00 0.61 N ATOM 952 CA GLU A 65 -5.827 -0.725 -12.701 1.00 0.67 C ATOM 953 C GLU A 65 -6.157 -1.306 -14.083 1.00 0.72 C ATOM 954 O GLU A 65 -7.031 -0.791 -14.778 1.00 0.73 O ATOM 955 CB GLU A 65 -4.476 -0.001 -12.638 1.00 0.75 C ATOM 956 CG GLU A 65 -4.369 0.818 -11.334 1.00 0.74 C ATOM 957 CD GLU A 65 -3.150 1.736 -11.286 1.00 1.06 C ATOM 958 OE1 GLU A 65 -2.616 2.038 -12.375 1.00 1.57 O ATOM 959 OE2 GLU A 65 -2.795 2.147 -10.157 1.00 1.68 O ATOM 0 H GLU A 65 -5.045 -1.907 -11.158 1.00 0.61 H new ATOM 0 HA GLU A 65 -6.585 0.036 -12.514 1.00 0.67 H new ATOM 0 HB2 GLU A 65 -3.664 -0.726 -12.688 1.00 0.75 H new ATOM 0 HB3 GLU A 65 -4.368 0.658 -13.500 1.00 0.75 H new ATOM 0 HG2 GLU A 65 -5.271 1.419 -11.218 1.00 0.74 H new ATOM 0 HG3 GLU A 65 -4.331 0.133 -10.487 1.00 0.74 H new ATOM 966 N LYS A 66 -5.511 -2.409 -14.467 1.00 0.76 N ATOM 967 CA LYS A 66 -5.768 -3.100 -15.728 1.00 0.83 C ATOM 968 C LYS A 66 -7.232 -3.516 -15.883 1.00 0.80 C ATOM 969 O LYS A 66 -7.764 -3.480 -16.990 1.00 0.88 O ATOM 970 CB LYS A 66 -4.831 -4.302 -15.879 1.00 0.88 C ATOM 971 CG LYS A 66 -3.452 -3.812 -16.336 1.00 1.08 C ATOM 972 CD LYS A 66 -2.499 -4.995 -16.494 1.00 1.33 C ATOM 973 CE LYS A 66 -1.254 -4.568 -17.286 1.00 1.65 C ATOM 974 NZ LYS A 66 -0.193 -5.596 -17.267 1.00 2.69 N ATOM 0 H LYS A 66 -4.786 -2.851 -13.902 1.00 0.76 H new ATOM 0 HA LYS A 66 -5.563 -2.393 -16.532 1.00 0.83 H new ATOM 0 HB2 LYS A 66 -4.746 -4.833 -14.931 1.00 0.88 H new ATOM 0 HB3 LYS A 66 -5.238 -5.007 -16.604 1.00 0.88 H new ATOM 0 HG2 LYS A 66 -3.542 -3.279 -17.283 1.00 1.08 H new ATOM 0 HG3 LYS A 66 -3.050 -3.106 -15.610 1.00 1.08 H new ATOM 0 HD2 LYS A 66 -2.205 -5.369 -15.513 1.00 1.33 H new ATOM 0 HD3 LYS A 66 -3.004 -5.813 -17.008 1.00 1.33 H new ATOM 0 HE2 LYS A 66 -1.537 -4.361 -18.318 1.00 1.65 H new ATOM 0 HE3 LYS A 66 -0.863 -3.639 -16.870 1.00 1.65 H new ATOM 0 HZ1 LYS A 66 0.661 -5.222 -17.727 1.00 2.69 H new ATOM 0 HZ2 LYS A 66 0.027 -5.850 -16.283 1.00 2.69 H new ATOM 0 HZ3 LYS A 66 -0.519 -6.441 -17.778 1.00 2.69 H new ATOM 988 N LEU A 67 -7.894 -3.905 -14.790 1.00 0.72 N ATOM 989 CA LEU A 67 -9.316 -4.219 -14.807 1.00 0.72 C ATOM 990 C LEU A 67 -10.187 -2.997 -15.141 1.00 0.70 C ATOM 991 O LEU A 67 -11.359 -3.169 -15.470 1.00 0.76 O ATOM 992 CB LEU A 67 -9.727 -4.889 -13.491 1.00 0.65 C ATOM 993 CG LEU A 67 -9.802 -6.421 -13.607 1.00 0.67 C ATOM 994 CD1 LEU A 67 -9.049 -7.044 -12.438 1.00 1.78 C ATOM 995 CD2 LEU A 67 -11.263 -6.890 -13.632 1.00 1.83 C ATOM 0 H LEU A 67 -7.457 -4.009 -13.874 1.00 0.72 H new ATOM 0 HA LEU A 67 -9.491 -4.929 -15.615 1.00 0.72 H new ATOM 0 HB2 LEU A 67 -9.012 -4.622 -12.712 1.00 0.65 H new ATOM 0 HB3 LEU A 67 -10.698 -4.504 -13.179 1.00 0.65 H new ATOM 0 HG LEU A 67 -9.339 -6.739 -14.541 1.00 0.67 H new ATOM 0 HD11 LEU A 67 -9.097 -8.130 -12.512 1.00 1.78 H new ATOM 0 HD12 LEU A 67 -8.007 -6.724 -12.464 1.00 1.78 H new ATOM 0 HD13 LEU A 67 -9.503 -6.724 -11.500 1.00 1.78 H new ATOM 0 HD21 LEU A 67 -11.295 -7.976 -13.714 1.00 1.83 H new ATOM 0 HD22 LEU A 67 -11.760 -6.581 -12.712 1.00 1.83 H new ATOM 0 HD23 LEU A 67 -11.773 -6.446 -14.487 1.00 1.83 H new ATOM 1007 N GLY A 68 -9.633 -1.782 -15.076 1.00 0.68 N ATOM 1008 CA GLY A 68 -10.315 -0.553 -15.457 1.00 0.68 C ATOM 1009 C GLY A 68 -10.909 0.145 -14.239 1.00 0.60 C ATOM 1010 O GLY A 68 -12.018 0.669 -14.302 1.00 0.65 O ATOM 0 H GLY A 68 -8.679 -1.628 -14.750 1.00 0.68 H new ATOM 0 HA2 GLY A 68 -9.614 0.115 -15.957 1.00 0.68 H new ATOM 0 HA3 GLY A 68 -11.106 -0.779 -16.172 1.00 0.68 H new ATOM 1014 N TYR A 69 -10.160 0.158 -13.133 1.00 0.55 N ATOM 1015 CA TYR A 69 -10.528 0.831 -11.889 1.00 0.50 C ATOM 1016 C TYR A 69 -9.349 1.686 -11.425 1.00 0.50 C ATOM 1017 O TYR A 69 -8.308 1.699 -12.078 1.00 0.56 O ATOM 1018 CB TYR A 69 -10.944 -0.212 -10.844 1.00 0.45 C ATOM 1019 CG TYR A 69 -12.099 -1.082 -11.297 1.00 0.50 C ATOM 1020 CD1 TYR A 69 -13.428 -0.679 -11.071 1.00 1.82 C ATOM 1021 CD2 TYR A 69 -11.842 -2.219 -12.082 1.00 1.93 C ATOM 1022 CE1 TYR A 69 -14.488 -1.409 -11.636 1.00 1.87 C ATOM 1023 CE2 TYR A 69 -12.906 -2.930 -12.665 1.00 2.02 C ATOM 1024 CZ TYR A 69 -14.227 -2.521 -12.446 1.00 0.92 C ATOM 1025 OH TYR A 69 -15.251 -3.216 -13.019 1.00 1.20 O ATOM 0 H TYR A 69 -9.257 -0.313 -13.079 1.00 0.55 H new ATOM 0 HA TYR A 69 -11.382 1.491 -12.041 1.00 0.50 H new ATOM 0 HB2 TYR A 69 -10.088 -0.846 -10.613 1.00 0.45 H new ATOM 0 HB3 TYR A 69 -11.221 0.298 -9.921 1.00 0.45 H new ATOM 0 HD1 TYR A 69 -13.633 0.190 -10.464 1.00 1.82 H new ATOM 0 HD2 TYR A 69 -10.825 -2.547 -12.238 1.00 1.93 H new ATOM 0 HE1 TYR A 69 -15.508 -1.111 -11.445 1.00 1.87 H new ATOM 0 HE2 TYR A 69 -12.704 -3.793 -13.283 1.00 2.02 H new ATOM 0 HH TYR A 69 -16.106 -2.815 -12.756 1.00 1.20 H new ATOM 1035 N HIS A 70 -9.509 2.433 -10.331 1.00 0.49 N ATOM 1036 CA HIS A 70 -8.441 3.197 -9.692 1.00 0.56 C ATOM 1037 C HIS A 70 -8.595 3.037 -8.183 1.00 0.50 C ATOM 1038 O HIS A 70 -9.692 2.754 -7.702 1.00 0.54 O ATOM 1039 CB HIS A 70 -8.508 4.680 -10.093 1.00 0.69 C ATOM 1040 CG HIS A 70 -7.644 5.051 -11.277 1.00 0.71 C ATOM 1041 ND1 HIS A 70 -7.425 4.295 -12.405 1.00 1.75 N ATOM 1042 CD2 HIS A 70 -6.908 6.200 -11.406 1.00 1.67 C ATOM 1043 CE1 HIS A 70 -6.586 4.981 -13.200 1.00 1.58 C ATOM 1044 NE2 HIS A 70 -6.248 6.152 -12.638 1.00 1.35 N ATOM 0 H HIS A 70 -10.407 2.524 -9.855 1.00 0.49 H new ATOM 0 HA HIS A 70 -7.469 2.824 -10.015 1.00 0.56 H new ATOM 0 HB2 HIS A 70 -9.543 4.935 -10.321 1.00 0.69 H new ATOM 0 HB3 HIS A 70 -8.211 5.288 -9.238 1.00 0.69 H new ATOM 0 HD1 HIS A 70 -7.827 3.379 -12.603 1.00 1.75 H new ATOM 0 HD2 HIS A 70 -6.848 7.001 -10.684 1.00 1.67 H new ATOM 0 HE1 HIS A 70 -6.232 4.637 -14.160 1.00 1.58 H new ATOM 1052 N VAL A 71 -7.495 3.202 -7.449 1.00 0.61 N ATOM 1053 CA VAL A 71 -7.414 3.027 -6.011 1.00 0.63 C ATOM 1054 C VAL A 71 -7.337 4.398 -5.334 1.00 0.71 C ATOM 1055 O VAL A 71 -6.754 5.331 -5.885 1.00 0.77 O ATOM 1056 CB VAL A 71 -6.229 2.100 -5.689 1.00 0.69 C ATOM 1057 CG1 VAL A 71 -6.504 0.679 -6.197 1.00 0.69 C ATOM 1058 CG2 VAL A 71 -4.891 2.592 -6.262 1.00 0.75 C ATOM 0 H VAL A 71 -6.603 3.472 -7.863 1.00 0.61 H new ATOM 0 HA VAL A 71 -8.307 2.544 -5.614 1.00 0.63 H new ATOM 0 HB VAL A 71 -6.136 2.104 -4.603 1.00 0.69 H new ATOM 0 HG11 VAL A 71 -5.655 0.037 -5.960 1.00 0.69 H new ATOM 0 HG12 VAL A 71 -7.400 0.288 -5.715 1.00 0.69 H new ATOM 0 HG13 VAL A 71 -6.652 0.701 -7.277 1.00 0.69 H new ATOM 0 HG21 VAL A 71 -4.101 1.890 -5.996 1.00 0.75 H new ATOM 0 HG22 VAL A 71 -4.964 2.662 -7.347 1.00 0.75 H new ATOM 0 HG23 VAL A 71 -4.658 3.574 -5.850 1.00 0.75 H new ATOM 1068 N VAL A 72 -7.951 4.544 -4.156 1.00 0.74 N ATOM 1069 CA VAL A 72 -8.069 5.820 -3.456 1.00 0.84 C ATOM 1070 C VAL A 72 -6.774 6.049 -2.671 1.00 0.86 C ATOM 1071 O VAL A 72 -6.781 6.227 -1.456 1.00 1.06 O ATOM 1072 CB VAL A 72 -9.324 5.798 -2.557 1.00 0.95 C ATOM 1073 CG1 VAL A 72 -9.603 7.155 -1.883 1.00 1.08 C ATOM 1074 CG2 VAL A 72 -10.585 5.438 -3.352 1.00 1.05 C ATOM 0 H VAL A 72 -8.385 3.767 -3.658 1.00 0.74 H new ATOM 0 HA VAL A 72 -8.197 6.652 -4.149 1.00 0.84 H new ATOM 0 HB VAL A 72 -9.107 5.044 -1.800 1.00 0.95 H new ATOM 0 HG11 VAL A 72 -10.497 7.077 -1.264 1.00 1.08 H new ATOM 0 HG12 VAL A 72 -8.753 7.433 -1.259 1.00 1.08 H new ATOM 0 HG13 VAL A 72 -9.756 7.916 -2.648 1.00 1.08 H new ATOM 0 HG21 VAL A 72 -11.447 5.433 -2.685 1.00 1.05 H new ATOM 0 HG22 VAL A 72 -10.741 6.175 -4.140 1.00 1.05 H new ATOM 0 HG23 VAL A 72 -10.465 4.450 -3.797 1.00 1.05 H new ATOM 1084 N THR A 73 -5.645 6.034 -3.375 1.00 0.79 N ATOM 1085 CA THR A 73 -4.326 5.927 -2.778 1.00 0.82 C ATOM 1086 C THR A 73 -3.433 6.981 -3.417 1.00 0.81 C ATOM 1087 O THR A 73 -3.504 7.153 -4.632 1.00 0.87 O ATOM 1088 CB THR A 73 -3.782 4.504 -3.012 1.00 0.89 C ATOM 1089 OG1 THR A 73 -4.819 3.589 -3.291 1.00 0.81 O ATOM 1090 CG2 THR A 73 -3.111 4.006 -1.742 1.00 1.22 C ATOM 0 H THR A 73 -5.626 6.097 -4.393 1.00 0.79 H new ATOM 0 HA THR A 73 -4.360 6.099 -1.702 1.00 0.82 H new ATOM 0 HB THR A 73 -3.092 4.560 -3.854 1.00 0.89 H new ATOM 0 HG1 THR A 73 -4.462 2.676 -3.278 1.00 0.81 H new ATOM 0 HG21 THR A 73 -2.725 3.000 -1.905 1.00 1.22 H new ATOM 0 HG22 THR A 73 -2.289 4.672 -1.480 1.00 1.22 H new ATOM 0 HG23 THR A 73 -3.837 3.989 -0.929 1.00 1.22 H new ATOM 1098 N GLU A 74 -2.620 7.689 -2.622 1.00 0.78 N ATOM 1099 CA GLU A 74 -1.777 8.758 -3.144 1.00 0.76 C ATOM 1100 C GLU A 74 -0.342 8.667 -2.643 1.00 0.73 C ATOM 1101 O GLU A 74 -0.088 8.139 -1.561 1.00 0.73 O ATOM 1102 CB GLU A 74 -2.391 10.141 -2.863 1.00 0.80 C ATOM 1103 CG GLU A 74 -3.048 10.715 -4.127 1.00 1.81 C ATOM 1104 CD GLU A 74 -2.056 10.831 -5.278 1.00 3.18 C ATOM 1105 OE1 GLU A 74 -0.838 10.958 -5.004 1.00 3.69 O ATOM 1106 OE2 GLU A 74 -2.454 10.690 -6.455 1.00 4.45 O ATOM 0 H GLU A 74 -2.532 7.537 -1.617 1.00 0.78 H new ATOM 0 HA GLU A 74 -1.734 8.627 -4.225 1.00 0.76 H new ATOM 0 HB2 GLU A 74 -3.132 10.060 -2.068 1.00 0.80 H new ATOM 0 HB3 GLU A 74 -1.617 10.822 -2.509 1.00 0.80 H new ATOM 0 HG2 GLU A 74 -3.879 10.077 -4.427 1.00 1.81 H new ATOM 0 HG3 GLU A 74 -3.465 11.698 -3.906 1.00 1.81 H new ATOM 1113 N LYS A 75 0.559 9.186 -3.484 1.00 0.77 N ATOM 1114 CA LYS A 75 2.011 9.096 -3.410 1.00 0.71 C ATOM 1115 C LYS A 75 2.539 10.308 -2.657 1.00 0.70 C ATOM 1116 O LYS A 75 3.011 11.278 -3.246 1.00 0.79 O ATOM 1117 CB LYS A 75 2.588 8.905 -4.826 1.00 0.79 C ATOM 1118 CG LYS A 75 2.472 10.119 -5.752 1.00 0.93 C ATOM 1119 CD LYS A 75 2.280 9.699 -7.220 1.00 1.26 C ATOM 1120 CE LYS A 75 0.836 9.275 -7.543 1.00 3.15 C ATOM 1121 NZ LYS A 75 -0.104 10.405 -7.419 1.00 4.54 N ATOM 0 H LYS A 75 0.261 9.723 -4.299 1.00 0.77 H new ATOM 0 HA LYS A 75 2.338 8.223 -2.846 1.00 0.71 H new ATOM 0 HB2 LYS A 75 3.641 8.636 -4.738 1.00 0.79 H new ATOM 0 HB3 LYS A 75 2.082 8.062 -5.295 1.00 0.79 H new ATOM 0 HG2 LYS A 75 1.631 10.737 -5.438 1.00 0.93 H new ATOM 0 HG3 LYS A 75 3.369 10.732 -5.663 1.00 0.93 H new ATOM 0 HD2 LYS A 75 2.563 10.528 -7.869 1.00 1.26 H new ATOM 0 HD3 LYS A 75 2.954 8.873 -7.446 1.00 1.26 H new ATOM 0 HE2 LYS A 75 0.792 8.874 -8.556 1.00 3.15 H new ATOM 0 HE3 LYS A 75 0.533 8.473 -6.870 1.00 3.15 H new ATOM 0 HZ1 LYS A 75 -1.080 10.047 -7.425 1.00 4.54 H new ATOM 0 HZ2 LYS A 75 0.074 10.909 -6.527 1.00 4.54 H new ATOM 0 HZ3 LYS A 75 0.030 11.057 -8.218 1.00 4.54 H new ATOM 1135 N ALA A 76 2.444 10.255 -1.333 1.00 0.69 N ATOM 1136 CA ALA A 76 2.790 11.412 -0.522 1.00 0.71 C ATOM 1137 C ALA A 76 4.308 11.447 -0.345 1.00 0.65 C ATOM 1138 O ALA A 76 4.891 10.476 0.134 1.00 1.06 O ATOM 1139 CB ALA A 76 2.061 11.333 0.819 1.00 0.75 C ATOM 0 H ALA A 76 2.136 9.437 -0.807 1.00 0.69 H new ATOM 0 HA ALA A 76 2.478 12.335 -1.010 1.00 0.71 H new ATOM 0 HB1 ALA A 76 2.321 12.200 1.426 1.00 0.75 H new ATOM 0 HB2 ALA A 76 0.985 11.319 0.648 1.00 0.75 H new ATOM 0 HB3 ALA A 76 2.357 10.423 1.341 1.00 0.75 H new ATOM 1145 N GLU A 77 4.966 12.543 -0.737 1.00 0.56 N ATOM 1146 CA GLU A 77 6.409 12.648 -0.592 1.00 0.61 C ATOM 1147 C GLU A 77 6.736 13.079 0.835 1.00 0.53 C ATOM 1148 O GLU A 77 6.487 14.220 1.234 1.00 0.55 O ATOM 1149 CB GLU A 77 7.007 13.665 -1.571 1.00 0.79 C ATOM 1150 CG GLU A 77 7.021 13.183 -3.027 1.00 1.10 C ATOM 1151 CD GLU A 77 7.845 14.124 -3.905 1.00 1.86 C ATOM 1152 OE1 GLU A 77 8.947 14.516 -3.452 1.00 2.22 O ATOM 1153 OE2 GLU A 77 7.359 14.441 -5.011 1.00 2.87 O ATOM 0 H GLU A 77 4.520 13.361 -1.153 1.00 0.56 H new ATOM 0 HA GLU A 77 6.842 11.672 -0.812 1.00 0.61 H new ATOM 0 HB2 GLU A 77 6.438 14.593 -1.510 1.00 0.79 H new ATOM 0 HB3 GLU A 77 8.027 13.896 -1.264 1.00 0.79 H new ATOM 0 HG2 GLU A 77 7.436 12.176 -3.077 1.00 1.10 H new ATOM 0 HG3 GLU A 77 6.000 13.127 -3.405 1.00 1.10 H new ATOM 1160 N PHE A 78 7.305 12.155 1.603 1.00 0.56 N ATOM 1161 CA PHE A 78 7.771 12.411 2.950 1.00 0.52 C ATOM 1162 C PHE A 78 9.298 12.487 2.931 1.00 0.55 C ATOM 1163 O PHE A 78 9.958 11.787 2.165 1.00 0.63 O ATOM 1164 CB PHE A 78 7.245 11.329 3.899 1.00 0.53 C ATOM 1165 CG PHE A 78 5.846 11.548 4.456 1.00 0.41 C ATOM 1166 CD1 PHE A 78 4.803 12.075 3.668 1.00 1.85 C ATOM 1167 CD2 PHE A 78 5.586 11.215 5.798 1.00 1.93 C ATOM 1168 CE1 PHE A 78 3.552 12.350 4.242 1.00 1.69 C ATOM 1169 CE2 PHE A 78 4.317 11.430 6.356 1.00 2.25 C ATOM 1170 CZ PHE A 78 3.308 12.027 5.585 1.00 1.03 C ATOM 0 H PHE A 78 7.455 11.194 1.296 1.00 0.56 H new ATOM 0 HA PHE A 78 7.390 13.363 3.319 1.00 0.52 H new ATOM 0 HB2 PHE A 78 7.259 10.375 3.372 1.00 0.53 H new ATOM 0 HB3 PHE A 78 7.937 11.241 4.736 1.00 0.53 H new ATOM 0 HD1 PHE A 78 4.967 12.268 2.618 1.00 1.85 H new ATOM 0 HD2 PHE A 78 6.372 10.789 6.405 1.00 1.93 H new ATOM 0 HE1 PHE A 78 2.776 12.811 3.649 1.00 1.69 H new ATOM 0 HE2 PHE A 78 4.117 11.137 7.376 1.00 2.25 H new ATOM 0 HZ PHE A 78 2.345 12.238 6.025 1.00 1.03 H new ATOM 1180 N ASP A 79 9.843 13.362 3.769 1.00 0.56 N ATOM 1181 CA ASP A 79 11.263 13.520 4.038 1.00 0.55 C ATOM 1182 C ASP A 79 11.592 12.732 5.306 1.00 0.58 C ATOM 1183 O ASP A 79 10.691 12.454 6.099 1.00 0.68 O ATOM 1184 CB ASP A 79 11.538 15.020 4.200 1.00 0.54 C ATOM 1185 CG ASP A 79 12.913 15.318 4.767 1.00 0.63 C ATOM 1186 OD1 ASP A 79 13.021 15.312 6.012 1.00 1.53 O ATOM 1187 OD2 ASP A 79 13.807 15.575 3.936 1.00 1.51 O ATOM 0 H ASP A 79 9.273 14.014 4.307 1.00 0.56 H new ATOM 0 HA ASP A 79 11.889 13.139 3.231 1.00 0.55 H new ATOM 0 HB2 ASP A 79 11.439 15.508 3.230 1.00 0.54 H new ATOM 0 HB3 ASP A 79 10.781 15.453 4.854 1.00 0.54 H new ATOM 1192 N ILE A 80 12.841 12.297 5.484 1.00 0.55 N ATOM 1193 CA ILE A 80 13.226 11.481 6.618 1.00 0.56 C ATOM 1194 C ILE A 80 14.490 12.052 7.257 1.00 0.60 C ATOM 1195 O ILE A 80 15.467 12.278 6.547 1.00 0.74 O ATOM 1196 CB ILE A 80 13.481 10.040 6.160 1.00 0.59 C ATOM 1197 CG1 ILE A 80 12.539 9.545 5.047 1.00 0.54 C ATOM 1198 CG2 ILE A 80 13.357 9.146 7.402 1.00 0.81 C ATOM 1199 CD1 ILE A 80 13.184 8.365 4.341 1.00 0.53 C ATOM 0 H ILE A 80 13.607 12.505 4.843 1.00 0.55 H new ATOM 0 HA ILE A 80 12.420 11.484 7.352 1.00 0.56 H new ATOM 0 HB ILE A 80 14.475 9.998 5.715 1.00 0.59 H new ATOM 0 HG12 ILE A 80 11.578 9.251 5.470 1.00 0.54 H new ATOM 0 HG13 ILE A 80 12.342 10.347 4.336 1.00 0.54 H new ATOM 0 HG21 ILE A 80 13.532 8.107 7.122 1.00 0.81 H new ATOM 0 HG22 ILE A 80 14.095 9.450 8.144 1.00 0.81 H new ATOM 0 HG23 ILE A 80 12.356 9.245 7.823 1.00 0.81 H new ATOM 0 HD11 ILE A 80 12.523 8.008 3.551 1.00 0.53 H new ATOM 0 HD12 ILE A 80 14.134 8.676 3.907 1.00 0.53 H new ATOM 0 HD13 ILE A 80 13.358 7.563 5.058 1.00 0.53 H new ATOM 1211 N GLU A 81 14.520 12.175 8.592 1.00 0.59 N ATOM 1212 CA GLU A 81 15.787 12.296 9.307 1.00 0.72 C ATOM 1213 C GLU A 81 15.955 11.037 10.161 1.00 0.92 C ATOM 1214 O GLU A 81 15.106 10.726 11.000 1.00 1.54 O ATOM 1215 CB GLU A 81 15.897 13.595 10.117 1.00 0.98 C ATOM 1216 CG GLU A 81 15.569 14.848 9.290 1.00 1.53 C ATOM 1217 CD GLU A 81 16.065 16.122 9.963 1.00 2.05 C ATOM 1218 OE1 GLU A 81 16.254 16.071 11.201 1.00 2.47 O ATOM 1219 OE2 GLU A 81 16.197 17.146 9.266 1.00 2.99 O ATOM 0 H GLU A 81 13.691 12.193 9.186 1.00 0.59 H new ATOM 0 HA GLU A 81 16.608 12.367 8.594 1.00 0.72 H new ATOM 0 HB2 GLU A 81 15.221 13.543 10.971 1.00 0.98 H new ATOM 0 HB3 GLU A 81 16.908 13.684 10.515 1.00 0.98 H new ATOM 0 HG2 GLU A 81 16.022 14.760 8.303 1.00 1.53 H new ATOM 0 HG3 GLU A 81 14.491 14.912 9.141 1.00 1.53 H new ATOM 1226 N GLY A 82 17.021 10.277 9.901 1.00 0.88 N ATOM 1227 CA GLY A 82 17.201 8.967 10.505 1.00 1.20 C ATOM 1228 C GLY A 82 18.339 8.181 9.869 1.00 1.07 C ATOM 1229 O GLY A 82 19.045 7.439 10.550 1.00 1.53 O ATOM 0 H GLY A 82 17.774 10.554 9.271 1.00 0.88 H new ATOM 0 HA2 GLY A 82 17.398 9.086 11.570 1.00 1.20 H new ATOM 0 HA3 GLY A 82 16.276 8.398 10.413 1.00 1.20 H new ATOM 1233 N MET A 83 18.487 8.310 8.547 1.00 0.97 N ATOM 1234 CA MET A 83 19.515 7.685 7.743 1.00 1.19 C ATOM 1235 C MET A 83 20.875 8.281 8.101 1.00 1.26 C ATOM 1236 O MET A 83 21.492 9.009 7.332 1.00 2.01 O ATOM 1237 CB MET A 83 19.195 7.822 6.247 1.00 1.55 C ATOM 1238 CG MET A 83 17.911 7.141 5.752 1.00 1.34 C ATOM 1239 SD MET A 83 16.292 7.746 6.306 1.00 2.73 S ATOM 1240 CE MET A 83 15.897 6.592 7.643 1.00 4.97 C ATOM 0 H MET A 83 17.855 8.885 7.990 1.00 0.97 H new ATOM 0 HA MET A 83 19.548 6.617 7.959 1.00 1.19 H new ATOM 0 HB2 MET A 83 19.131 8.884 6.008 1.00 1.55 H new ATOM 0 HB3 MET A 83 20.034 7.418 5.681 1.00 1.55 H new ATOM 0 HG2 MET A 83 17.919 7.187 4.663 1.00 1.34 H new ATOM 0 HG3 MET A 83 17.975 6.088 6.027 1.00 1.34 H new ATOM 0 HE1 MET A 83 14.972 6.902 8.129 1.00 4.97 H new ATOM 0 HE2 MET A 83 15.774 5.589 7.234 1.00 4.97 H new ATOM 0 HE3 MET A 83 16.707 6.589 8.372 1.00 4.97 H new ATOM 1285 N ALA A 87 21.641 1.511 7.196 1.00 1.13 N ATOM 1286 CA ALA A 87 20.555 0.813 6.515 1.00 0.88 C ATOM 1287 C ALA A 87 19.190 1.227 7.069 1.00 0.75 C ATOM 1288 O ALA A 87 18.230 0.461 6.990 1.00 0.73 O ATOM 1289 CB ALA A 87 20.773 -0.701 6.649 1.00 1.29 C ATOM 0 HA ALA A 87 20.562 1.086 5.460 1.00 0.88 H new ATOM 0 HB1 ALA A 87 19.966 -1.231 6.143 1.00 1.29 H new ATOM 0 HB2 ALA A 87 21.726 -0.973 6.195 1.00 1.29 H new ATOM 0 HB3 ALA A 87 20.782 -0.975 7.704 1.00 1.29 H new ATOM 1295 N CYS A 88 19.070 2.434 7.636 1.00 0.72 N ATOM 1296 CA CYS A 88 17.828 2.841 8.279 1.00 0.64 C ATOM 1297 C CYS A 88 16.746 2.958 7.218 1.00 0.59 C ATOM 1298 O CYS A 88 15.643 2.459 7.406 1.00 0.56 O ATOM 1299 CB CYS A 88 17.998 4.183 8.994 1.00 0.69 C ATOM 1300 SG CYS A 88 19.360 4.133 10.179 1.00 0.89 S ATOM 0 H CYS A 88 19.812 3.134 7.660 1.00 0.72 H new ATOM 0 HA CYS A 88 17.549 2.095 9.023 1.00 0.64 H new ATOM 0 HB2 CYS A 88 18.182 4.967 8.260 1.00 0.69 H new ATOM 0 HB3 CYS A 88 17.074 4.441 9.511 1.00 0.69 H new ATOM 0 HG CYS A 88 18.900 4.338 11.378 1.00 0.89 H new ATOM 1306 N ALA A 89 17.079 3.590 6.087 1.00 0.61 N ATOM 1307 CA ALA A 89 16.175 3.705 4.946 1.00 0.59 C ATOM 1308 C ALA A 89 15.730 2.318 4.482 1.00 0.56 C ATOM 1309 O ALA A 89 14.570 2.110 4.150 1.00 0.54 O ATOM 1310 CB ALA A 89 16.850 4.469 3.804 1.00 0.69 C ATOM 0 H ALA A 89 17.985 4.035 5.941 1.00 0.61 H new ATOM 0 HA ALA A 89 15.292 4.264 5.254 1.00 0.59 H new ATOM 0 HB1 ALA A 89 16.163 4.546 2.961 1.00 0.69 H new ATOM 0 HB2 ALA A 89 17.120 5.469 4.145 1.00 0.69 H new ATOM 0 HB3 ALA A 89 17.749 3.937 3.492 1.00 0.69 H new ATOM 1316 N ASN A 90 16.642 1.349 4.481 1.00 0.60 N ATOM 1317 CA ASN A 90 16.302 -0.011 4.076 1.00 0.62 C ATOM 1318 C ASN A 90 15.296 -0.605 5.068 1.00 0.58 C ATOM 1319 O ASN A 90 14.248 -1.126 4.685 1.00 0.59 O ATOM 1320 CB ASN A 90 17.549 -0.900 3.965 1.00 0.74 C ATOM 1321 CG ASN A 90 18.617 -0.317 3.043 1.00 1.12 C ATOM 1322 OD1 ASN A 90 19.098 0.789 3.275 1.00 2.55 O ATOM 1323 ND2 ASN A 90 19.017 -1.055 2.011 1.00 1.30 N ATOM 0 H ASN A 90 17.616 1.479 4.754 1.00 0.60 H new ATOM 0 HA ASN A 90 15.850 0.029 3.085 1.00 0.62 H new ATOM 0 HB2 ASN A 90 17.974 -1.046 4.958 1.00 0.74 H new ATOM 0 HB3 ASN A 90 17.256 -1.883 3.596 1.00 0.74 H new ATOM 0 HD21 ASN A 90 19.743 -0.706 1.385 1.00 1.30 H new ATOM 0 HD22 ASN A 90 18.598 -1.970 1.845 1.00 1.30 H new ATOM 1330 N ARG A 91 15.608 -0.515 6.364 1.00 0.62 N ATOM 1331 CA ARG A 91 14.735 -1.002 7.424 1.00 0.67 C ATOM 1332 C ARG A 91 13.342 -0.377 7.306 1.00 0.60 C ATOM 1333 O ARG A 91 12.332 -1.082 7.304 1.00 0.64 O ATOM 1334 CB ARG A 91 15.351 -0.700 8.799 1.00 0.75 C ATOM 1335 CG ARG A 91 16.553 -1.598 9.128 1.00 1.43 C ATOM 1336 CD ARG A 91 16.521 -2.046 10.596 1.00 1.75 C ATOM 1337 NE ARG A 91 15.557 -3.142 10.802 1.00 1.88 N ATOM 1338 CZ ARG A 91 15.229 -3.676 11.992 1.00 2.79 C ATOM 1339 NH1 ARG A 91 15.643 -3.096 13.124 1.00 3.66 N ATOM 1340 NH2 ARG A 91 14.493 -4.793 12.042 1.00 3.77 N ATOM 0 H ARG A 91 16.476 -0.101 6.703 1.00 0.62 H new ATOM 0 HA ARG A 91 14.631 -2.082 7.320 1.00 0.67 H new ATOM 0 HB2 ARG A 91 15.665 0.343 8.829 1.00 0.75 H new ATOM 0 HB3 ARG A 91 14.589 -0.826 9.568 1.00 0.75 H new ATOM 0 HG2 ARG A 91 16.547 -2.472 8.477 1.00 1.43 H new ATOM 0 HG3 ARG A 91 17.479 -1.059 8.929 1.00 1.43 H new ATOM 0 HD2 ARG A 91 17.516 -2.372 10.900 1.00 1.75 H new ATOM 0 HD3 ARG A 91 16.254 -1.201 11.230 1.00 1.75 H new ATOM 0 HE ARG A 91 15.102 -3.527 9.974 1.00 1.88 H new ATOM 0 HH11 ARG A 91 16.208 -2.248 13.085 1.00 3.66 H new ATOM 0 HH12 ARG A 91 15.394 -3.502 14.026 1.00 3.66 H new ATOM 0 HH21 ARG A 91 14.182 -5.238 11.178 1.00 3.77 H new ATOM 0 HH22 ARG A 91 14.243 -5.199 12.944 1.00 3.77 H new ATOM 1354 N ILE A 92 13.284 0.952 7.224 1.00 0.55 N ATOM 1355 CA ILE A 92 12.016 1.658 7.144 1.00 0.53 C ATOM 1356 C ILE A 92 11.302 1.357 5.819 1.00 0.49 C ATOM 1357 O ILE A 92 10.090 1.186 5.832 1.00 0.52 O ATOM 1358 CB ILE A 92 12.158 3.157 7.489 1.00 0.60 C ATOM 1359 CG1 ILE A 92 13.112 3.921 6.580 1.00 1.31 C ATOM 1360 CG2 ILE A 92 12.573 3.329 8.956 1.00 1.89 C ATOM 1361 CD1 ILE A 92 12.400 4.872 5.619 1.00 1.64 C ATOM 0 H ILE A 92 14.105 1.558 7.212 1.00 0.55 H new ATOM 0 HA ILE A 92 11.354 1.275 7.920 1.00 0.53 H new ATOM 0 HB ILE A 92 11.173 3.593 7.323 1.00 0.60 H new ATOM 0 HG12 ILE A 92 13.809 4.491 7.194 1.00 1.31 H new ATOM 0 HG13 ILE A 92 13.703 3.209 6.004 1.00 1.31 H new ATOM 0 HG21 ILE A 92 12.669 4.390 9.185 1.00 1.89 H new ATOM 0 HG22 ILE A 92 11.816 2.886 9.603 1.00 1.89 H new ATOM 0 HG23 ILE A 92 13.529 2.833 9.124 1.00 1.89 H new ATOM 0 HD11 ILE A 92 13.137 5.384 5.001 1.00 1.64 H new ATOM 0 HD12 ILE A 92 11.723 4.305 4.981 1.00 1.64 H new ATOM 0 HD13 ILE A 92 11.831 5.607 6.189 1.00 1.64 H new ATOM 1373 N GLU A 93 12.015 1.196 4.697 1.00 0.48 N ATOM 1374 CA GLU A 93 11.429 0.829 3.416 1.00 0.48 C ATOM 1375 C GLU A 93 10.638 -0.461 3.588 1.00 0.48 C ATOM 1376 O GLU A 93 9.462 -0.532 3.229 1.00 0.52 O ATOM 1377 CB GLU A 93 12.540 0.624 2.374 1.00 0.54 C ATOM 1378 CG GLU A 93 11.970 0.249 1.007 1.00 0.61 C ATOM 1379 CD GLU A 93 13.056 -0.286 0.090 1.00 1.36 C ATOM 1380 OE1 GLU A 93 13.457 -1.448 0.327 1.00 1.77 O ATOM 1381 OE2 GLU A 93 13.464 0.473 -0.814 1.00 2.98 O ATOM 0 H GLU A 93 13.027 1.320 4.660 1.00 0.48 H new ATOM 0 HA GLU A 93 10.767 1.624 3.072 1.00 0.48 H new ATOM 0 HB2 GLU A 93 13.128 1.537 2.285 1.00 0.54 H new ATOM 0 HB3 GLU A 93 13.217 -0.160 2.713 1.00 0.54 H new ATOM 0 HG2 GLU A 93 11.190 -0.502 1.129 1.00 0.61 H new ATOM 0 HG3 GLU A 93 11.503 1.123 0.552 1.00 0.61 H new ATOM 1388 N LYS A 94 11.297 -1.481 4.145 1.00 0.52 N ATOM 1389 CA LYS A 94 10.691 -2.783 4.364 1.00 0.56 C ATOM 1390 C LYS A 94 9.470 -2.674 5.282 1.00 0.55 C ATOM 1391 O LYS A 94 8.543 -3.470 5.149 1.00 0.61 O ATOM 1392 CB LYS A 94 11.736 -3.762 4.918 1.00 0.64 C ATOM 1393 CG LYS A 94 12.890 -4.030 3.932 1.00 1.06 C ATOM 1394 CD LYS A 94 12.534 -4.942 2.748 1.00 1.23 C ATOM 1395 CE LYS A 94 12.322 -6.402 3.178 1.00 2.47 C ATOM 1396 NZ LYS A 94 12.155 -7.302 2.017 1.00 3.62 N ATOM 0 H LYS A 94 12.267 -1.420 4.455 1.00 0.52 H new ATOM 0 HA LYS A 94 10.337 -3.172 3.409 1.00 0.56 H new ATOM 0 HB2 LYS A 94 12.144 -3.363 5.847 1.00 0.64 H new ATOM 0 HB3 LYS A 94 11.248 -4.705 5.164 1.00 0.64 H new ATOM 0 HG2 LYS A 94 13.244 -3.076 3.542 1.00 1.06 H new ATOM 0 HG3 LYS A 94 13.719 -4.478 4.480 1.00 1.06 H new ATOM 0 HD2 LYS A 94 11.628 -4.572 2.267 1.00 1.23 H new ATOM 0 HD3 LYS A 94 13.330 -4.897 2.005 1.00 1.23 H new ATOM 0 HE2 LYS A 94 13.173 -6.732 3.773 1.00 2.47 H new ATOM 0 HE3 LYS A 94 11.442 -6.468 3.817 1.00 2.47 H new ATOM 0 HZ1 LYS A 94 12.015 -8.277 2.351 1.00 3.62 H new ATOM 0 HZ2 LYS A 94 11.327 -7.003 1.462 1.00 3.62 H new ATOM 0 HZ3 LYS A 94 13.005 -7.260 1.420 1.00 3.62 H new ATOM 1410 N ARG A 95 9.453 -1.702 6.203 1.00 0.50 N ATOM 1411 CA ARG A 95 8.250 -1.430 6.987 1.00 0.49 C ATOM 1412 C ARG A 95 7.181 -0.761 6.126 1.00 0.44 C ATOM 1413 O ARG A 95 6.150 -1.369 5.828 1.00 0.48 O ATOM 1414 CB ARG A 95 8.581 -0.587 8.226 1.00 0.52 C ATOM 1415 CG ARG A 95 9.167 -1.453 9.343 1.00 0.83 C ATOM 1416 CD ARG A 95 8.037 -2.111 10.148 1.00 0.98 C ATOM 1417 NE ARG A 95 8.563 -2.967 11.223 1.00 1.55 N ATOM 1418 CZ ARG A 95 7.796 -3.642 12.094 1.00 2.13 C ATOM 1419 NH1 ARG A 95 6.464 -3.563 12.011 1.00 2.85 N ATOM 1420 NH2 ARG A 95 8.366 -4.395 13.043 1.00 2.92 N ATOM 0 H ARG A 95 10.248 -1.101 6.419 1.00 0.50 H new ATOM 0 HA ARG A 95 7.848 -2.381 7.335 1.00 0.49 H new ATOM 0 HB2 ARG A 95 9.291 0.195 7.958 1.00 0.52 H new ATOM 0 HB3 ARG A 95 7.679 -0.090 8.583 1.00 0.52 H new ATOM 0 HG2 ARG A 95 9.815 -2.219 8.918 1.00 0.83 H new ATOM 0 HG3 ARG A 95 9.785 -0.842 10.001 1.00 0.83 H new ATOM 0 HD2 ARG A 95 7.398 -1.339 10.577 1.00 0.98 H new ATOM 0 HD3 ARG A 95 7.413 -2.706 9.481 1.00 0.98 H new ATOM 0 HE ARG A 95 9.575 -3.053 11.312 1.00 1.55 H new ATOM 0 HH11 ARG A 95 6.031 -2.990 11.286 1.00 2.85 H new ATOM 0 HH12 ARG A 95 5.881 -4.075 12.672 1.00 2.85 H new ATOM 0 HH21 ARG A 95 9.382 -4.456 13.104 1.00 2.92 H new ATOM 0 HH22 ARG A 95 7.784 -4.908 13.705 1.00 2.92 H new ATOM 1434 N LEU A 96 7.432 0.499 5.752 1.00 0.38 N ATOM 1435 CA LEU A 96 6.531 1.345 4.978 1.00 0.38 C ATOM 1436 C LEU A 96 5.889 0.572 3.827 1.00 0.40 C ATOM 1437 O LEU A 96 4.690 0.715 3.616 1.00 0.43 O ATOM 1438 CB LEU A 96 7.245 2.615 4.497 1.00 0.40 C ATOM 1439 CG LEU A 96 7.297 3.711 5.580 1.00 0.44 C ATOM 1440 CD1 LEU A 96 8.721 4.201 5.831 1.00 1.08 C ATOM 1441 CD2 LEU A 96 6.427 4.906 5.174 1.00 1.68 C ATOM 0 H LEU A 96 8.304 0.971 5.992 1.00 0.38 H new ATOM 0 HA LEU A 96 5.720 1.661 5.634 1.00 0.38 H new ATOM 0 HB2 LEU A 96 8.260 2.363 4.191 1.00 0.40 H new ATOM 0 HB3 LEU A 96 6.734 3.003 3.616 1.00 0.40 H new ATOM 0 HG LEU A 96 6.918 3.265 6.499 1.00 0.44 H new ATOM 0 HD11 LEU A 96 8.710 4.972 6.601 1.00 1.08 H new ATOM 0 HD12 LEU A 96 9.340 3.367 6.162 1.00 1.08 H new ATOM 0 HD13 LEU A 96 9.131 4.614 4.910 1.00 1.08 H new ATOM 0 HD21 LEU A 96 6.475 5.671 5.949 1.00 1.68 H new ATOM 0 HD22 LEU A 96 6.792 5.319 4.234 1.00 1.68 H new ATOM 0 HD23 LEU A 96 5.395 4.579 5.050 1.00 1.68 H new ATOM 1453 N ASN A 97 6.661 -0.288 3.150 1.00 0.44 N ATOM 1454 CA ASN A 97 6.212 -1.244 2.135 1.00 0.57 C ATOM 1455 C ASN A 97 4.777 -1.728 2.349 1.00 0.63 C ATOM 1456 O ASN A 97 4.006 -1.812 1.398 1.00 0.70 O ATOM 1457 CB ASN A 97 7.134 -2.479 2.134 1.00 0.72 C ATOM 1458 CG ASN A 97 7.722 -2.753 0.759 1.00 0.84 C ATOM 1459 OD1 ASN A 97 7.311 -3.684 0.072 1.00 1.29 O ATOM 1460 ND2 ASN A 97 8.713 -1.960 0.363 1.00 1.23 N ATOM 0 H ASN A 97 7.668 -0.336 3.305 1.00 0.44 H new ATOM 0 HA ASN A 97 6.250 -0.713 1.184 1.00 0.57 H new ATOM 0 HB2 ASN A 97 7.942 -2.328 2.850 1.00 0.72 H new ATOM 0 HB3 ASN A 97 6.571 -3.351 2.468 1.00 0.72 H new ATOM 0 HD21 ASN A 97 9.160 -2.115 -0.541 1.00 1.23 H new ATOM 0 HD22 ASN A 97 9.026 -1.197 0.963 1.00 1.23 H new ATOM 1467 N LYS A 98 4.455 -2.105 3.589 1.00 0.65 N ATOM 1468 CA LYS A 98 3.163 -2.658 3.961 1.00 0.76 C ATOM 1469 C LYS A 98 2.949 -2.502 5.468 1.00 0.78 C ATOM 1470 O LYS A 98 2.903 -3.496 6.188 1.00 0.94 O ATOM 1471 CB LYS A 98 3.053 -4.125 3.491 1.00 0.95 C ATOM 1472 CG LYS A 98 4.270 -4.989 3.877 1.00 1.08 C ATOM 1473 CD LYS A 98 3.939 -6.174 4.800 1.00 2.54 C ATOM 1474 CE LYS A 98 3.206 -7.315 4.084 1.00 3.16 C ATOM 1475 NZ LYS A 98 3.041 -8.495 4.965 1.00 4.48 N ATOM 0 H LYS A 98 5.102 -2.030 4.374 1.00 0.65 H new ATOM 0 HA LYS A 98 2.366 -2.108 3.461 1.00 0.76 H new ATOM 0 HB2 LYS A 98 2.153 -4.568 3.918 1.00 0.95 H new ATOM 0 HB3 LYS A 98 2.934 -4.143 2.408 1.00 0.95 H new ATOM 0 HG2 LYS A 98 4.733 -5.371 2.967 1.00 1.08 H new ATOM 0 HG3 LYS A 98 5.009 -4.356 4.369 1.00 1.08 H new ATOM 0 HD2 LYS A 98 4.863 -6.559 5.231 1.00 2.54 H new ATOM 0 HD3 LYS A 98 3.325 -5.820 5.628 1.00 2.54 H new ATOM 0 HE2 LYS A 98 2.227 -6.968 3.753 1.00 3.16 H new ATOM 0 HE3 LYS A 98 3.762 -7.602 3.191 1.00 3.16 H new ATOM 0 HZ1 LYS A 98 2.982 -9.356 4.385 1.00 4.48 H new ATOM 0 HZ2 LYS A 98 3.856 -8.566 5.607 1.00 4.48 H new ATOM 0 HZ3 LYS A 98 2.169 -8.393 5.523 1.00 4.48 H new ATOM 1489 N ILE A 99 2.808 -1.264 5.954 1.00 0.70 N ATOM 1490 CA ILE A 99 2.351 -1.044 7.327 1.00 0.78 C ATOM 1491 C ILE A 99 0.927 -1.587 7.448 1.00 0.91 C ATOM 1492 O ILE A 99 0.702 -2.572 8.148 1.00 1.30 O ATOM 1493 CB ILE A 99 2.511 0.432 7.746 1.00 0.74 C ATOM 1494 CG1 ILE A 99 4.012 0.736 7.909 1.00 0.73 C ATOM 1495 CG2 ILE A 99 1.785 0.703 9.075 1.00 0.90 C ATOM 1496 CD1 ILE A 99 4.327 2.233 7.976 1.00 2.07 C ATOM 0 H ILE A 99 3.001 -0.413 5.426 1.00 0.70 H new ATOM 0 HA ILE A 99 2.974 -1.589 8.036 1.00 0.78 H new ATOM 0 HB ILE A 99 2.073 1.072 6.980 1.00 0.74 H new ATOM 0 HG12 ILE A 99 4.376 0.255 8.817 1.00 0.73 H new ATOM 0 HG13 ILE A 99 4.557 0.295 7.074 1.00 0.73 H new ATOM 0 HG21 ILE A 99 1.911 1.750 9.352 1.00 0.90 H new ATOM 0 HG22 ILE A 99 0.724 0.483 8.961 1.00 0.90 H new ATOM 0 HG23 ILE A 99 2.205 0.069 9.855 1.00 0.90 H new ATOM 0 HD11 ILE A 99 5.402 2.374 8.091 1.00 2.07 H new ATOM 0 HD12 ILE A 99 3.994 2.716 7.058 1.00 2.07 H new ATOM 0 HD13 ILE A 99 3.810 2.676 8.827 1.00 2.07 H new ATOM 1508 N GLU A 100 -0.002 -0.977 6.713 1.00 0.75 N ATOM 1509 CA GLU A 100 -1.365 -1.455 6.557 1.00 0.78 C ATOM 1510 C GLU A 100 -1.792 -1.196 5.111 1.00 0.77 C ATOM 1511 O GLU A 100 -1.297 -1.857 4.199 1.00 1.02 O ATOM 1512 CB GLU A 100 -2.279 -0.782 7.587 1.00 0.77 C ATOM 1513 CG GLU A 100 -2.070 -1.307 9.013 1.00 1.34 C ATOM 1514 CD GLU A 100 -3.188 -0.866 9.952 1.00 2.08 C ATOM 1515 OE1 GLU A 100 -3.962 0.025 9.540 1.00 2.71 O ATOM 1516 OE2 GLU A 100 -3.262 -1.451 11.054 1.00 2.74 O ATOM 0 H GLU A 100 0.182 -0.116 6.199 1.00 0.75 H new ATOM 0 HA GLU A 100 -1.437 -2.526 6.746 1.00 0.78 H new ATOM 0 HB2 GLU A 100 -2.102 0.293 7.573 1.00 0.77 H new ATOM 0 HB3 GLU A 100 -3.318 -0.938 7.298 1.00 0.77 H new ATOM 0 HG2 GLU A 100 -2.020 -2.396 8.995 1.00 1.34 H new ATOM 0 HG3 GLU A 100 -1.114 -0.950 9.395 1.00 1.34 H new ATOM 1523 N GLY A 101 -2.661 -0.208 4.874 1.00 0.74 N ATOM 1524 CA GLY A 101 -3.182 0.110 3.553 1.00 0.74 C ATOM 1525 C GLY A 101 -2.179 0.929 2.741 1.00 0.73 C ATOM 1526 O GLY A 101 -2.515 1.993 2.220 1.00 0.83 O ATOM 0 H GLY A 101 -3.024 0.399 5.610 1.00 0.74 H new ATOM 0 HA2 GLY A 101 -3.417 -0.812 3.021 1.00 0.74 H new ATOM 0 HA3 GLY A 101 -4.114 0.667 3.652 1.00 0.74 H new ATOM 1530 N VAL A 102 -0.946 0.428 2.643 1.00 0.69 N ATOM 1531 CA VAL A 102 0.129 1.016 1.864 1.00 0.65 C ATOM 1532 C VAL A 102 0.273 0.196 0.589 1.00 0.64 C ATOM 1533 O VAL A 102 0.459 -1.017 0.651 1.00 0.63 O ATOM 1534 CB VAL A 102 1.435 1.094 2.673 1.00 0.59 C ATOM 1535 CG1 VAL A 102 2.466 1.899 1.870 1.00 0.56 C ATOM 1536 CG2 VAL A 102 1.222 1.763 4.038 1.00 0.61 C ATOM 0 H VAL A 102 -0.666 -0.427 3.123 1.00 0.69 H new ATOM 0 HA VAL A 102 -0.106 2.048 1.604 1.00 0.65 H new ATOM 0 HB VAL A 102 1.788 0.078 2.851 1.00 0.59 H new ATOM 0 HG11 VAL A 102 3.397 1.962 2.433 1.00 0.56 H new ATOM 0 HG12 VAL A 102 2.651 1.404 0.916 1.00 0.56 H new ATOM 0 HG13 VAL A 102 2.083 2.903 1.689 1.00 0.56 H new ATOM 0 HG21 VAL A 102 2.168 1.798 4.578 1.00 0.61 H new ATOM 0 HG22 VAL A 102 0.850 2.777 3.892 1.00 0.61 H new ATOM 0 HG23 VAL A 102 0.497 1.190 4.615 1.00 0.61 H new ATOM 1546 N ALA A 103 0.145 0.857 -0.562 1.00 0.68 N ATOM 1547 CA ALA A 103 0.325 0.234 -1.856 1.00 0.71 C ATOM 1548 C ALA A 103 1.816 0.077 -2.144 1.00 0.62 C ATOM 1549 O ALA A 103 2.249 -0.994 -2.559 1.00 0.62 O ATOM 1550 CB ALA A 103 -0.371 1.052 -2.946 1.00 0.85 C ATOM 0 H ALA A 103 -0.089 1.849 -0.613 1.00 0.68 H new ATOM 0 HA ALA A 103 -0.131 -0.756 -1.848 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -0.225 0.569 -3.912 1.00 0.85 H new ATOM 0 HB2 ALA A 103 -1.437 1.115 -2.729 1.00 0.85 H new ATOM 0 HB3 ALA A 103 0.053 2.056 -2.974 1.00 0.85 H new ATOM 1556 N ASN A 104 2.604 1.140 -1.929 1.00 0.60 N ATOM 1557 CA ASN A 104 4.048 1.110 -2.163 1.00 0.58 C ATOM 1558 C ASN A 104 4.739 2.130 -1.267 1.00 0.51 C ATOM 1559 O ASN A 104 4.094 3.010 -0.696 1.00 0.51 O ATOM 1560 CB ASN A 104 4.426 1.426 -3.622 1.00 0.64 C ATOM 1561 CG ASN A 104 3.852 0.465 -4.652 1.00 0.68 C ATOM 1562 OD1 ASN A 104 4.290 -0.677 -4.760 1.00 0.77 O ATOM 1563 ND2 ASN A 104 2.903 0.932 -5.453 1.00 0.66 N ATOM 0 H ASN A 104 2.258 2.038 -1.590 1.00 0.60 H new ATOM 0 HA ASN A 104 4.374 0.095 -1.937 1.00 0.58 H new ATOM 0 HB2 ASN A 104 4.089 2.435 -3.860 1.00 0.64 H new ATOM 0 HB3 ASN A 104 5.512 1.424 -3.710 1.00 0.64 H new ATOM 0 HD21 ASN A 104 2.515 0.337 -6.185 1.00 0.66 H new ATOM 0 HD22 ASN A 104 2.561 1.886 -5.336 1.00 0.66 H new ATOM 1570 N ALA A 105 6.067 2.028 -1.182 1.00 0.47 N ATOM 1571 CA ALA A 105 6.883 2.974 -0.430 1.00 0.41 C ATOM 1572 C ALA A 105 8.360 2.939 -0.840 1.00 0.45 C ATOM 1573 O ALA A 105 9.200 2.563 -0.026 1.00 0.46 O ATOM 1574 CB ALA A 105 6.735 2.704 1.068 1.00 0.42 C ATOM 0 H ALA A 105 6.603 1.287 -1.633 1.00 0.47 H new ATOM 0 HA ALA A 105 6.521 3.975 -0.662 1.00 0.41 H new ATOM 0 HB1 ALA A 105 7.346 3.412 1.627 1.00 0.42 H new ATOM 0 HB2 ALA A 105 5.690 2.818 1.357 1.00 0.42 H new ATOM 0 HB3 ALA A 105 7.063 1.688 1.289 1.00 0.42 H new ATOM 1580 N PRO A 106 8.715 3.327 -2.076 1.00 0.50 N ATOM 1581 CA PRO A 106 10.110 3.458 -2.463 1.00 0.51 C ATOM 1582 C PRO A 106 10.779 4.596 -1.677 1.00 0.50 C ATOM 1583 O PRO A 106 10.188 5.667 -1.492 1.00 0.54 O ATOM 1584 CB PRO A 106 10.096 3.712 -3.974 1.00 0.56 C ATOM 1585 CG PRO A 106 8.732 4.357 -4.214 1.00 0.58 C ATOM 1586 CD PRO A 106 7.834 3.681 -3.177 1.00 0.56 C ATOM 0 HA PRO A 106 10.693 2.566 -2.235 1.00 0.51 H new ATOM 0 HB2 PRO A 106 10.910 4.370 -4.278 1.00 0.56 H new ATOM 0 HB3 PRO A 106 10.207 2.786 -4.538 1.00 0.56 H new ATOM 0 HG2 PRO A 106 8.768 5.437 -4.072 1.00 0.58 H new ATOM 0 HG3 PRO A 106 8.377 4.181 -5.229 1.00 0.58 H new ATOM 0 HD2 PRO A 106 7.042 4.352 -2.846 1.00 0.56 H new ATOM 0 HD3 PRO A 106 7.350 2.797 -3.593 1.00 0.56 H new ATOM 1594 N VAL A 107 12.009 4.342 -1.214 1.00 0.50 N ATOM 1595 CA VAL A 107 12.830 5.258 -0.434 1.00 0.51 C ATOM 1596 C VAL A 107 14.048 5.665 -1.274 1.00 0.53 C ATOM 1597 O VAL A 107 14.547 4.864 -2.063 1.00 0.62 O ATOM 1598 CB VAL A 107 13.252 4.570 0.882 1.00 0.62 C ATOM 1599 CG1 VAL A 107 14.066 5.508 1.781 1.00 1.82 C ATOM 1600 CG2 VAL A 107 12.033 4.101 1.686 1.00 2.55 C ATOM 0 H VAL A 107 12.474 3.450 -1.384 1.00 0.50 H new ATOM 0 HA VAL A 107 12.270 6.158 -0.178 1.00 0.51 H new ATOM 0 HB VAL A 107 13.862 3.716 0.589 1.00 0.62 H new ATOM 0 HG11 VAL A 107 14.343 4.985 2.696 1.00 1.82 H new ATOM 0 HG12 VAL A 107 14.968 5.823 1.256 1.00 1.82 H new ATOM 0 HG13 VAL A 107 13.467 6.384 2.031 1.00 1.82 H new ATOM 0 HG21 VAL A 107 12.367 3.621 2.606 1.00 2.55 H new ATOM 0 HG22 VAL A 107 11.407 4.959 1.931 1.00 2.55 H new ATOM 0 HG23 VAL A 107 11.458 3.389 1.093 1.00 2.55 H new ATOM 1610 N ASN A 108 14.531 6.903 -1.119 1.00 0.53 N ATOM 1611 CA ASN A 108 15.664 7.443 -1.856 1.00 0.63 C ATOM 1612 C ASN A 108 16.859 7.587 -0.929 1.00 0.68 C ATOM 1613 O ASN A 108 16.740 8.189 0.135 1.00 1.60 O ATOM 1614 CB ASN A 108 15.354 8.852 -2.357 1.00 0.67 C ATOM 1615 CG ASN A 108 14.209 8.900 -3.361 1.00 0.87 C ATOM 1616 OD1 ASN A 108 13.042 8.945 -2.978 1.00 1.26 O ATOM 1617 ND2 ASN A 108 14.530 8.913 -4.653 1.00 1.41 N ATOM 0 H ASN A 108 14.130 7.569 -0.459 1.00 0.53 H new ATOM 0 HA ASN A 108 15.869 6.764 -2.684 1.00 0.63 H new ATOM 0 HB2 ASN A 108 15.107 9.486 -1.505 1.00 0.67 H new ATOM 0 HB3 ASN A 108 16.249 9.271 -2.818 1.00 0.67 H new ATOM 0 HD21 ASN A 108 13.797 8.962 -5.360 1.00 1.41 H new ATOM 0 HD22 ASN A 108 15.509 8.874 -4.936 1.00 1.41 H new ATOM 1624 N PHE A 109 18.030 7.138 -1.385 1.00 0.94 N ATOM 1625 CA PHE A 109 19.286 7.348 -0.672 1.00 0.91 C ATOM 1626 C PHE A 109 19.968 8.667 -1.044 1.00 0.98 C ATOM 1627 O PHE A 109 20.979 9.016 -0.443 1.00 1.34 O ATOM 1628 CB PHE A 109 20.236 6.170 -0.934 1.00 0.92 C ATOM 1629 CG PHE A 109 20.670 5.504 0.347 1.00 1.02 C ATOM 1630 CD1 PHE A 109 21.731 6.046 1.093 1.00 2.10 C ATOM 1631 CD2 PHE A 109 19.865 4.497 0.902 1.00 1.93 C ATOM 1632 CE1 PHE A 109 22.023 5.538 2.370 1.00 2.30 C ATOM 1633 CE2 PHE A 109 20.164 3.981 2.170 1.00 2.00 C ATOM 1634 CZ PHE A 109 21.255 4.485 2.901 1.00 1.48 C ATOM 0 H PHE A 109 18.132 6.620 -2.258 1.00 0.94 H new ATOM 0 HA PHE A 109 19.047 7.406 0.390 1.00 0.91 H new ATOM 0 HB2 PHE A 109 19.741 5.439 -1.574 1.00 0.92 H new ATOM 0 HB3 PHE A 109 21.114 6.524 -1.475 1.00 0.92 H new ATOM 0 HD1 PHE A 109 22.322 6.853 0.685 1.00 2.10 H new ATOM 0 HD2 PHE A 109 19.015 4.120 0.352 1.00 1.93 H new ATOM 0 HE1 PHE A 109 22.837 5.956 2.944 1.00 2.30 H new ATOM 0 HE2 PHE A 109 19.554 3.193 2.588 1.00 2.00 H new ATOM 0 HZ PHE A 109 21.502 4.066 3.865 1.00 1.48 H new ATOM 1644 N ALA A 110 19.465 9.358 -2.072 1.00 0.88 N ATOM 1645 CA ALA A 110 20.076 10.571 -2.605 1.00 1.03 C ATOM 1646 C ALA A 110 19.402 11.826 -2.052 1.00 1.10 C ATOM 1647 O ALA A 110 19.975 12.911 -2.125 1.00 1.51 O ATOM 1648 CB ALA A 110 19.963 10.551 -4.131 1.00 1.15 C ATOM 0 H ALA A 110 18.612 9.084 -2.560 1.00 0.88 H new ATOM 0 HA ALA A 110 21.123 10.597 -2.302 1.00 1.03 H new ATOM 0 HB1 ALA A 110 20.417 11.453 -4.541 1.00 1.15 H new ATOM 0 HB2 ALA A 110 20.480 9.675 -4.523 1.00 1.15 H new ATOM 0 HB3 ALA A 110 18.912 10.511 -4.418 1.00 1.15 H new ATOM 1654 N LEU A 111 18.148 11.680 -1.608 1.00 0.93 N ATOM 1655 CA LEU A 111 17.304 12.771 -1.147 1.00 1.06 C ATOM 1656 C LEU A 111 16.880 12.575 0.316 1.00 0.93 C ATOM 1657 O LEU A 111 16.324 13.500 0.903 1.00 0.95 O ATOM 1658 CB LEU A 111 16.043 12.840 -2.026 1.00 1.28 C ATOM 1659 CG LEU A 111 16.256 12.742 -3.545 1.00 1.21 C ATOM 1660 CD1 LEU A 111 14.889 12.780 -4.241 1.00 1.51 C ATOM 1661 CD2 LEU A 111 17.121 13.886 -4.084 1.00 1.18 C ATOM 0 H LEU A 111 17.686 10.772 -1.561 1.00 0.93 H new ATOM 0 HA LEU A 111 17.876 13.696 -1.218 1.00 1.06 H new ATOM 0 HB2 LEU A 111 15.373 12.036 -1.724 1.00 1.28 H new ATOM 0 HB3 LEU A 111 15.531 13.778 -1.814 1.00 1.28 H new ATOM 0 HG LEU A 111 16.777 11.807 -3.750 1.00 1.21 H new ATOM 0 HD11 LEU A 111 15.028 12.711 -5.320 1.00 1.51 H new ATOM 0 HD12 LEU A 111 14.283 11.941 -3.899 1.00 1.51 H new ATOM 0 HD13 LEU A 111 14.384 13.715 -3.999 1.00 1.51 H new ATOM 0 HD21 LEU A 111 17.243 13.773 -5.161 1.00 1.18 H new ATOM 0 HD22 LEU A 111 16.637 14.839 -3.871 1.00 1.18 H new ATOM 0 HD23 LEU A 111 18.099 13.860 -3.603 1.00 1.18 H new ATOM 1673 N GLU A 112 17.043 11.363 0.864 1.00 0.89 N ATOM 1674 CA GLU A 112 16.557 10.965 2.176 1.00 0.84 C ATOM 1675 C GLU A 112 15.044 11.180 2.283 1.00 0.72 C ATOM 1676 O GLU A 112 14.527 11.710 3.266 1.00 0.72 O ATOM 1677 CB GLU A 112 17.379 11.633 3.287 1.00 0.94 C ATOM 1678 CG GLU A 112 18.870 11.266 3.165 1.00 1.09 C ATOM 1679 CD GLU A 112 19.685 12.301 2.395 1.00 2.23 C ATOM 1680 OE1 GLU A 112 19.741 12.177 1.153 1.00 3.71 O ATOM 1681 OE2 GLU A 112 20.254 13.185 3.071 1.00 2.43 O ATOM 0 H GLU A 112 17.536 10.611 0.382 1.00 0.89 H new ATOM 0 HA GLU A 112 16.706 9.894 2.313 1.00 0.84 H new ATOM 0 HB2 GLU A 112 17.261 12.715 3.231 1.00 0.94 H new ATOM 0 HB3 GLU A 112 17.002 11.321 4.261 1.00 0.94 H new ATOM 0 HG2 GLU A 112 19.292 11.151 4.164 1.00 1.09 H new ATOM 0 HG3 GLU A 112 18.960 10.300 2.668 1.00 1.09 H new ATOM 1688 N THR A 113 14.338 10.717 1.248 1.00 0.69 N ATOM 1689 CA THR A 113 12.893 10.806 1.121 1.00 0.67 C ATOM 1690 C THR A 113 12.279 9.417 1.021 1.00 0.63 C ATOM 1691 O THR A 113 12.934 8.490 0.548 1.00 0.71 O ATOM 1692 CB THR A 113 12.525 11.628 -0.123 1.00 0.84 C ATOM 1693 OG1 THR A 113 13.123 11.102 -1.293 1.00 0.84 O ATOM 1694 CG2 THR A 113 13.042 13.053 0.031 1.00 0.96 C ATOM 0 H THR A 113 14.778 10.255 0.452 1.00 0.69 H new ATOM 0 HA THR A 113 12.498 11.300 2.009 1.00 0.67 H new ATOM 0 HB THR A 113 11.439 11.597 -0.215 1.00 0.84 H new ATOM 0 HG1 THR A 113 12.706 10.244 -1.516 1.00 0.84 H new ATOM 0 HG21 THR A 113 12.779 13.633 -0.854 1.00 0.96 H new ATOM 0 HG22 THR A 113 12.592 13.510 0.912 1.00 0.96 H new ATOM 0 HG23 THR A 113 14.126 13.036 0.145 1.00 0.96 H new ATOM 1702 N VAL A 114 11.008 9.303 1.404 1.00 0.58 N ATOM 1703 CA VAL A 114 10.153 8.172 1.071 1.00 0.61 C ATOM 1704 C VAL A 114 8.910 8.690 0.356 1.00 0.59 C ATOM 1705 O VAL A 114 8.232 9.585 0.861 1.00 0.56 O ATOM 1706 CB VAL A 114 9.832 7.320 2.312 1.00 0.64 C ATOM 1707 CG1 VAL A 114 9.198 8.101 3.468 1.00 0.65 C ATOM 1708 CG2 VAL A 114 8.918 6.143 1.940 1.00 0.66 C ATOM 0 H VAL A 114 10.537 10.011 1.967 1.00 0.58 H new ATOM 0 HA VAL A 114 10.676 7.498 0.393 1.00 0.61 H new ATOM 0 HB VAL A 114 10.798 6.962 2.667 1.00 0.64 H new ATOM 0 HG11 VAL A 114 9.005 7.425 4.301 1.00 0.65 H new ATOM 0 HG12 VAL A 114 9.878 8.889 3.791 1.00 0.65 H new ATOM 0 HG13 VAL A 114 8.260 8.545 3.136 1.00 0.65 H new ATOM 0 HG21 VAL A 114 8.703 5.553 2.831 1.00 0.66 H new ATOM 0 HG22 VAL A 114 7.986 6.524 1.523 1.00 0.66 H new ATOM 0 HG23 VAL A 114 9.416 5.515 1.201 1.00 0.66 H new ATOM 1718 N THR A 115 8.611 8.131 -0.819 1.00 0.60 N ATOM 1719 CA THR A 115 7.349 8.396 -1.491 1.00 0.59 C ATOM 1720 C THR A 115 6.359 7.370 -0.959 1.00 0.73 C ATOM 1721 O THR A 115 6.389 6.225 -1.398 1.00 1.34 O ATOM 1722 CB THR A 115 7.539 8.270 -3.005 1.00 0.60 C ATOM 1723 OG1 THR A 115 8.536 9.173 -3.433 1.00 0.59 O ATOM 1724 CG2 THR A 115 6.239 8.570 -3.751 1.00 0.67 C ATOM 0 H THR A 115 9.229 7.493 -1.320 1.00 0.60 H new ATOM 0 HA THR A 115 6.982 9.405 -1.301 1.00 0.59 H new ATOM 0 HB THR A 115 7.838 7.245 -3.226 1.00 0.60 H new ATOM 0 HG1 THR A 115 8.658 9.090 -4.402 1.00 0.59 H new ATOM 0 HG21 THR A 115 6.404 8.473 -4.824 1.00 0.67 H new ATOM 0 HG22 THR A 115 5.469 7.866 -3.437 1.00 0.67 H new ATOM 0 HG23 THR A 115 5.916 9.586 -3.524 1.00 0.67 H new ATOM 1732 N VAL A 116 5.520 7.742 0.008 1.00 0.45 N ATOM 1733 CA VAL A 116 4.624 6.776 0.636 1.00 0.45 C ATOM 1734 C VAL A 116 3.318 6.741 -0.159 1.00 0.57 C ATOM 1735 O VAL A 116 2.554 7.706 -0.133 1.00 0.78 O ATOM 1736 CB VAL A 116 4.486 7.024 2.154 1.00 0.49 C ATOM 1737 CG1 VAL A 116 3.861 8.362 2.563 1.00 0.69 C ATOM 1738 CG2 VAL A 116 3.700 5.883 2.809 1.00 0.63 C ATOM 0 H VAL A 116 5.443 8.693 0.369 1.00 0.45 H new ATOM 0 HA VAL A 116 5.039 5.769 0.595 1.00 0.45 H new ATOM 0 HB VAL A 116 5.515 7.064 2.511 1.00 0.49 H new ATOM 0 HG11 VAL A 116 3.815 8.425 3.650 1.00 0.69 H new ATOM 0 HG12 VAL A 116 4.469 9.180 2.177 1.00 0.69 H new ATOM 0 HG13 VAL A 116 2.854 8.434 2.153 1.00 0.69 H new ATOM 0 HG21 VAL A 116 3.610 6.070 3.879 1.00 0.63 H new ATOM 0 HG22 VAL A 116 2.706 5.825 2.366 1.00 0.63 H new ATOM 0 HG23 VAL A 116 4.224 4.941 2.649 1.00 0.63 H new ATOM 1748 N GLU A 117 3.076 5.651 -0.898 1.00 0.53 N ATOM 1749 CA GLU A 117 1.835 5.451 -1.626 1.00 0.68 C ATOM 1750 C GLU A 117 0.883 4.681 -0.728 1.00 0.73 C ATOM 1751 O GLU A 117 0.955 3.453 -0.690 1.00 0.71 O ATOM 1752 CB GLU A 117 2.069 4.661 -2.919 1.00 0.81 C ATOM 1753 CG GLU A 117 2.468 5.573 -4.074 1.00 0.85 C ATOM 1754 CD GLU A 117 2.590 4.830 -5.399 1.00 1.41 C ATOM 1755 OE1 GLU A 117 2.461 3.585 -5.376 1.00 2.32 O ATOM 1756 OE2 GLU A 117 2.802 5.531 -6.410 1.00 2.65 O ATOM 0 H GLU A 117 3.743 4.886 -1.003 1.00 0.53 H new ATOM 0 HA GLU A 117 1.419 6.421 -1.899 1.00 0.68 H new ATOM 0 HB2 GLU A 117 2.850 3.919 -2.755 1.00 0.81 H new ATOM 0 HB3 GLU A 117 1.162 4.117 -3.182 1.00 0.81 H new ATOM 0 HG2 GLU A 117 1.729 6.368 -4.175 1.00 0.85 H new ATOM 0 HG3 GLU A 117 3.420 6.051 -3.842 1.00 0.85 H new ATOM 1763 N TYR A 118 0.001 5.376 -0.008 1.00 0.79 N ATOM 1764 CA TYR A 118 -0.890 4.736 0.951 1.00 0.81 C ATOM 1765 C TYR A 118 -2.265 5.380 0.950 1.00 0.87 C ATOM 1766 O TYR A 118 -2.432 6.497 0.457 1.00 0.97 O ATOM 1767 CB TYR A 118 -0.285 4.771 2.356 1.00 0.77 C ATOM 1768 CG TYR A 118 -0.469 6.085 3.092 1.00 0.74 C ATOM 1769 CD1 TYR A 118 0.161 7.258 2.636 1.00 1.54 C ATOM 1770 CD2 TYR A 118 -1.379 6.156 4.159 1.00 1.97 C ATOM 1771 CE1 TYR A 118 -0.064 8.482 3.290 1.00 1.54 C ATOM 1772 CE2 TYR A 118 -1.588 7.375 4.823 1.00 1.93 C ATOM 1773 CZ TYR A 118 -0.912 8.532 4.408 1.00 0.64 C ATOM 1774 OH TYR A 118 -1.083 9.700 5.092 1.00 0.65 O ATOM 0 H TYR A 118 -0.113 6.387 -0.074 1.00 0.79 H new ATOM 0 HA TYR A 118 -1.009 3.696 0.647 1.00 0.81 H new ATOM 0 HB2 TYR A 118 -0.731 3.972 2.949 1.00 0.77 H new ATOM 0 HB3 TYR A 118 0.781 4.557 2.283 1.00 0.77 H new ATOM 0 HD1 TYR A 118 0.819 7.218 1.781 1.00 1.54 H new ATOM 0 HD2 TYR A 118 -1.918 5.273 4.469 1.00 1.97 H new ATOM 0 HE1 TYR A 118 0.414 9.382 2.933 1.00 1.54 H new ATOM 0 HE2 TYR A 118 -2.272 7.422 5.657 1.00 1.93 H new ATOM 0 HH TYR A 118 -2.040 9.874 5.208 1.00 0.65 H new ATOM 1784 N ASN A 119 -3.255 4.627 1.429 1.00 0.79 N ATOM 1785 CA ASN A 119 -4.649 5.022 1.373 1.00 0.79 C ATOM 1786 C ASN A 119 -4.901 5.950 2.560 1.00 0.75 C ATOM 1787 O ASN A 119 -4.898 5.475 3.697 1.00 0.79 O ATOM 1788 CB ASN A 119 -5.544 3.769 1.382 1.00 0.87 C ATOM 1789 CG ASN A 119 -6.839 4.022 0.613 1.00 0.96 C ATOM 1790 OD1 ASN A 119 -7.038 3.480 -0.471 1.00 2.10 O ATOM 1791 ND2 ASN A 119 -7.733 4.833 1.158 1.00 2.17 N ATOM 0 H ASN A 119 -3.103 3.719 1.869 1.00 0.79 H new ATOM 0 HA ASN A 119 -4.890 5.557 0.454 1.00 0.79 H new ATOM 0 HB2 ASN A 119 -5.009 2.931 0.936 1.00 0.87 H new ATOM 0 HB3 ASN A 119 -5.775 3.489 2.410 1.00 0.87 H new ATOM 0 HD21 ASN A 119 -8.612 5.020 0.676 1.00 2.17 H new ATOM 0 HD22 ASN A 119 -7.542 5.270 2.060 1.00 2.17 H new ATOM 1798 N PRO A 120 -5.103 7.265 2.358 1.00 0.73 N ATOM 1799 CA PRO A 120 -5.131 8.230 3.449 1.00 0.69 C ATOM 1800 C PRO A 120 -6.479 8.212 4.180 1.00 0.79 C ATOM 1801 O PRO A 120 -6.904 9.236 4.712 1.00 0.70 O ATOM 1802 CB PRO A 120 -4.860 9.576 2.769 1.00 0.66 C ATOM 1803 CG PRO A 120 -5.574 9.409 1.428 1.00 0.75 C ATOM 1804 CD PRO A 120 -5.298 7.944 1.085 1.00 0.79 C ATOM 0 HA PRO A 120 -4.394 8.010 4.221 1.00 0.69 H new ATOM 0 HB2 PRO A 120 -5.262 10.411 3.343 1.00 0.66 H new ATOM 0 HB3 PRO A 120 -3.793 9.761 2.642 1.00 0.66 H new ATOM 0 HG2 PRO A 120 -6.642 9.612 1.509 1.00 0.75 H new ATOM 0 HG3 PRO A 120 -5.177 10.085 0.670 1.00 0.75 H new ATOM 0 HD2 PRO A 120 -6.131 7.508 0.534 1.00 0.79 H new ATOM 0 HD3 PRO A 120 -4.415 7.851 0.453 1.00 0.79 H new ATOM 1812 N LYS A 121 -7.175 7.070 4.171 1.00 1.07 N ATOM 1813 CA LYS A 121 -8.382 6.852 4.955 1.00 1.20 C ATOM 1814 C LYS A 121 -8.094 5.793 6.021 1.00 1.23 C ATOM 1815 O LYS A 121 -8.256 6.047 7.211 1.00 1.43 O ATOM 1816 CB LYS A 121 -9.533 6.447 4.026 1.00 1.35 C ATOM 1817 CG LYS A 121 -9.660 7.332 2.779 1.00 1.71 C ATOM 1818 CD LYS A 121 -10.047 8.770 3.145 1.00 2.72 C ATOM 1819 CE LYS A 121 -10.301 9.591 1.876 1.00 4.02 C ATOM 1820 NZ LYS A 121 -10.497 11.021 2.185 1.00 5.24 N ATOM 0 H LYS A 121 -6.906 6.263 3.608 1.00 1.07 H new ATOM 0 HA LYS A 121 -8.685 7.768 5.463 1.00 1.20 H new ATOM 0 HB2 LYS A 121 -9.389 5.413 3.713 1.00 1.35 H new ATOM 0 HB3 LYS A 121 -10.469 6.484 4.584 1.00 1.35 H new ATOM 0 HG2 LYS A 121 -8.714 7.336 2.237 1.00 1.71 H new ATOM 0 HG3 LYS A 121 -10.410 6.912 2.109 1.00 1.71 H new ATOM 0 HD2 LYS A 121 -10.941 8.766 3.769 1.00 2.72 H new ATOM 0 HD3 LYS A 121 -9.251 9.230 3.731 1.00 2.72 H new ATOM 0 HE2 LYS A 121 -9.459 9.478 1.194 1.00 4.02 H new ATOM 0 HE3 LYS A 121 -11.181 9.205 1.362 1.00 4.02 H new ATOM 0 HZ1 LYS A 121 -10.666 11.547 1.304 1.00 5.24 H new ATOM 0 HZ2 LYS A 121 -11.316 11.131 2.816 1.00 5.24 H new ATOM 0 HZ3 LYS A 121 -9.647 11.395 2.653 1.00 5.24 H new ATOM 1834 N GLU A 122 -7.650 4.613 5.577 1.00 1.13 N ATOM 1835 CA GLU A 122 -7.255 3.480 6.398 1.00 1.10 C ATOM 1836 C GLU A 122 -6.223 3.926 7.437 1.00 1.03 C ATOM 1837 O GLU A 122 -6.377 3.644 8.623 1.00 1.10 O ATOM 1838 CB GLU A 122 -6.678 2.378 5.488 1.00 1.03 C ATOM 1839 CG GLU A 122 -7.720 1.569 4.692 1.00 0.64 C ATOM 1840 CD GLU A 122 -8.651 2.439 3.862 1.00 1.81 C ATOM 1841 OE1 GLU A 122 -8.125 3.412 3.279 1.00 3.26 O ATOM 1842 OE2 GLU A 122 -9.869 2.164 3.842 1.00 2.48 O ATOM 0 H GLU A 122 -7.554 4.419 4.580 1.00 1.13 H new ATOM 0 HA GLU A 122 -8.121 3.084 6.929 1.00 1.10 H new ATOM 0 HB2 GLU A 122 -5.984 2.837 4.784 1.00 1.03 H new ATOM 0 HB3 GLU A 122 -6.099 1.689 6.102 1.00 1.03 H new ATOM 0 HG2 GLU A 122 -7.202 0.872 4.033 1.00 0.64 H new ATOM 0 HG3 GLU A 122 -8.313 0.972 5.385 1.00 0.64 H new ATOM 1849 N ALA A 123 -5.173 4.619 6.982 1.00 0.94 N ATOM 1850 CA ALA A 123 -4.115 5.147 7.835 1.00 0.86 C ATOM 1851 C ALA A 123 -3.966 6.651 7.590 1.00 0.78 C ATOM 1852 O ALA A 123 -4.730 7.241 6.827 1.00 0.84 O ATOM 1853 CB ALA A 123 -2.822 4.371 7.568 1.00 0.80 C ATOM 0 H ALA A 123 -5.037 4.829 5.993 1.00 0.94 H new ATOM 0 HA ALA A 123 -4.362 5.017 8.889 1.00 0.86 H new ATOM 0 HB1 ALA A 123 -2.026 4.761 8.203 1.00 0.80 H new ATOM 0 HB2 ALA A 123 -2.979 3.315 7.790 1.00 0.80 H new ATOM 0 HB3 ALA A 123 -2.539 4.484 6.521 1.00 0.80 H new ATOM 1859 N SER A 124 -2.992 7.295 8.243 1.00 0.71 N ATOM 1860 CA SER A 124 -2.739 8.728 8.153 1.00 0.67 C ATOM 1861 C SER A 124 -1.322 9.017 8.655 1.00 0.65 C ATOM 1862 O SER A 124 -0.702 8.154 9.274 1.00 0.67 O ATOM 1863 CB SER A 124 -3.778 9.488 8.991 1.00 0.72 C ATOM 1864 OG SER A 124 -5.019 9.552 8.313 1.00 1.79 O ATOM 0 H SER A 124 -2.342 6.815 8.865 1.00 0.71 H new ATOM 0 HA SER A 124 -2.823 9.059 7.118 1.00 0.67 H new ATOM 0 HB2 SER A 124 -3.909 8.993 9.953 1.00 0.72 H new ATOM 0 HB3 SER A 124 -3.419 10.496 9.198 1.00 0.72 H new ATOM 0 HG SER A 124 -5.063 8.838 7.643 1.00 1.79 H new ATOM 1870 N VAL A 125 -0.835 10.244 8.432 1.00 0.64 N ATOM 1871 CA VAL A 125 0.438 10.763 8.931 1.00 0.67 C ATOM 1872 C VAL A 125 0.746 10.267 10.347 1.00 0.63 C ATOM 1873 O VAL A 125 1.861 9.839 10.619 1.00 0.58 O ATOM 1874 CB VAL A 125 0.445 12.306 8.886 1.00 0.86 C ATOM 1875 CG1 VAL A 125 1.856 12.856 9.123 1.00 1.78 C ATOM 1876 CG2 VAL A 125 -0.108 12.838 7.553 1.00 1.15 C ATOM 0 H VAL A 125 -1.343 10.930 7.874 1.00 0.64 H new ATOM 0 HA VAL A 125 1.223 10.384 8.277 1.00 0.67 H new ATOM 0 HB VAL A 125 -0.208 12.652 9.687 1.00 0.86 H new ATOM 0 HG11 VAL A 125 1.833 13.945 9.086 1.00 1.78 H new ATOM 0 HG12 VAL A 125 2.213 12.533 10.101 1.00 1.78 H new ATOM 0 HG13 VAL A 125 2.527 12.481 8.350 1.00 1.78 H new ATOM 0 HG21 VAL A 125 -0.087 13.928 7.559 1.00 1.15 H new ATOM 0 HG22 VAL A 125 0.505 12.468 6.731 1.00 1.15 H new ATOM 0 HG23 VAL A 125 -1.135 12.496 7.422 1.00 1.15 H new ATOM 1886 N SER A 126 -0.234 10.326 11.252 1.00 0.67 N ATOM 1887 CA SER A 126 -0.114 9.852 12.621 1.00 0.69 C ATOM 1888 C SER A 126 0.400 8.410 12.707 1.00 0.63 C ATOM 1889 O SER A 126 1.300 8.132 13.494 1.00 0.64 O ATOM 1890 CB SER A 126 -1.483 9.995 13.288 1.00 0.75 C ATOM 1891 OG SER A 126 -2.044 11.243 12.915 1.00 0.77 O ATOM 0 H SER A 126 -1.153 10.715 11.042 1.00 0.67 H new ATOM 0 HA SER A 126 0.630 10.455 13.142 1.00 0.69 H new ATOM 0 HB2 SER A 126 -2.139 9.180 12.982 1.00 0.75 H new ATOM 0 HB3 SER A 126 -1.383 9.935 14.372 1.00 0.75 H new ATOM 0 HG SER A 126 -2.923 11.345 13.336 1.00 0.77 H new ATOM 1897 N ASP A 127 -0.156 7.496 11.906 1.00 0.64 N ATOM 1898 CA ASP A 127 0.268 6.100 11.878 1.00 0.64 C ATOM 1899 C ASP A 127 1.718 6.012 11.406 1.00 0.56 C ATOM 1900 O ASP A 127 2.561 5.379 12.033 1.00 0.59 O ATOM 1901 CB ASP A 127 -0.648 5.300 10.944 1.00 0.69 C ATOM 1902 CG ASP A 127 -0.017 3.961 10.589 1.00 0.99 C ATOM 1903 OD1 ASP A 127 0.037 3.102 11.491 1.00 2.28 O ATOM 1904 OD2 ASP A 127 0.433 3.850 9.428 1.00 2.05 O ATOM 0 H ASP A 127 -0.915 7.708 11.258 1.00 0.64 H new ATOM 0 HA ASP A 127 0.199 5.679 12.881 1.00 0.64 H new ATOM 0 HB2 ASP A 127 -1.613 5.137 11.424 1.00 0.69 H new ATOM 0 HB3 ASP A 127 -0.837 5.871 10.035 1.00 0.69 H new ATOM 1909 N LEU A 128 2.010 6.694 10.300 1.00 0.50 N ATOM 1910 CA LEU A 128 3.326 6.686 9.678 1.00 0.45 C ATOM 1911 C LEU A 128 4.379 7.176 10.670 1.00 0.43 C ATOM 1912 O LEU A 128 5.422 6.547 10.862 1.00 0.42 O ATOM 1913 CB LEU A 128 3.301 7.559 8.425 1.00 0.50 C ATOM 1914 CG LEU A 128 2.403 6.979 7.322 1.00 0.59 C ATOM 1915 CD1 LEU A 128 2.324 8.015 6.205 1.00 0.77 C ATOM 1916 CD2 LEU A 128 2.966 5.676 6.743 1.00 0.65 C ATOM 0 H LEU A 128 1.330 7.273 9.808 1.00 0.50 H new ATOM 0 HA LEU A 128 3.588 5.669 9.387 1.00 0.45 H new ATOM 0 HB2 LEU A 128 2.949 8.557 8.688 1.00 0.50 H new ATOM 0 HB3 LEU A 128 4.316 7.669 8.042 1.00 0.50 H new ATOM 0 HG LEU A 128 1.425 6.754 7.748 1.00 0.59 H new ATOM 0 HD11 LEU A 128 1.692 7.636 5.402 1.00 0.77 H new ATOM 0 HD12 LEU A 128 1.899 8.940 6.596 1.00 0.77 H new ATOM 0 HD13 LEU A 128 3.324 8.210 5.819 1.00 0.77 H new ATOM 0 HD21 LEU A 128 2.297 5.304 5.967 1.00 0.65 H new ATOM 0 HD22 LEU A 128 3.950 5.864 6.314 1.00 0.65 H new ATOM 0 HD23 LEU A 128 3.051 4.933 7.536 1.00 0.65 H new ATOM 1928 N LYS A 129 4.075 8.304 11.316 1.00 0.45 N ATOM 1929 CA LYS A 129 4.826 8.820 12.440 1.00 0.47 C ATOM 1930 C LYS A 129 5.018 7.700 13.455 1.00 0.50 C ATOM 1931 O LYS A 129 6.156 7.316 13.681 1.00 0.57 O ATOM 1932 CB LYS A 129 4.103 10.036 13.038 1.00 0.57 C ATOM 1933 CG LYS A 129 4.237 11.261 12.123 1.00 0.69 C ATOM 1934 CD LYS A 129 5.139 12.380 12.669 1.00 0.84 C ATOM 1935 CE LYS A 129 6.629 12.012 12.806 1.00 2.92 C ATOM 1936 NZ LYS A 129 6.896 11.118 13.963 1.00 3.97 N ATOM 0 H LYS A 129 3.281 8.890 11.059 1.00 0.45 H new ATOM 0 HA LYS A 129 5.811 9.162 12.122 1.00 0.47 H new ATOM 0 HB2 LYS A 129 3.049 9.801 13.185 1.00 0.57 H new ATOM 0 HB3 LYS A 129 4.518 10.264 14.020 1.00 0.57 H new ATOM 0 HG2 LYS A 129 4.629 10.936 11.159 1.00 0.69 H new ATOM 0 HG3 LYS A 129 3.244 11.671 11.941 1.00 0.69 H new ATOM 0 HD2 LYS A 129 5.054 13.246 12.013 1.00 0.84 H new ATOM 0 HD3 LYS A 129 4.764 12.683 13.647 1.00 0.84 H new ATOM 0 HE2 LYS A 129 6.964 11.524 11.891 1.00 2.92 H new ATOM 0 HE3 LYS A 129 7.216 12.924 12.914 1.00 2.92 H new ATOM 0 HZ1 LYS A 129 7.919 10.944 14.038 1.00 3.97 H new ATOM 0 HZ2 LYS A 129 6.557 11.570 14.836 1.00 3.97 H new ATOM 0 HZ3 LYS A 129 6.400 10.214 13.825 1.00 3.97 H new ATOM 1950 N GLU A 130 3.931 7.151 14.004 1.00 0.53 N ATOM 1951 CA GLU A 130 3.999 6.127 15.045 1.00 0.58 C ATOM 1952 C GLU A 130 4.965 5.005 14.632 1.00 0.61 C ATOM 1953 O GLU A 130 5.864 4.633 15.385 1.00 0.71 O ATOM 1954 CB GLU A 130 2.575 5.624 15.362 1.00 0.63 C ATOM 1955 CG GLU A 130 2.330 5.297 16.845 1.00 1.18 C ATOM 1956 CD GLU A 130 2.748 3.898 17.267 1.00 2.01 C ATOM 1957 OE1 GLU A 130 3.218 3.107 16.419 1.00 3.31 O ATOM 1958 OE2 GLU A 130 2.579 3.569 18.464 1.00 2.55 O ATOM 0 H GLU A 130 2.980 7.405 13.738 1.00 0.53 H new ATOM 0 HA GLU A 130 4.403 6.549 15.965 1.00 0.58 H new ATOM 0 HB2 GLU A 130 1.857 6.381 15.046 1.00 0.63 H new ATOM 0 HB3 GLU A 130 2.378 4.731 14.769 1.00 0.63 H new ATOM 0 HG2 GLU A 130 2.868 6.022 17.456 1.00 1.18 H new ATOM 0 HG3 GLU A 130 1.269 5.424 17.060 1.00 1.18 H new ATOM 1965 N ALA A 131 4.842 4.530 13.389 1.00 0.59 N ATOM 1966 CA ALA A 131 5.668 3.459 12.862 1.00 0.64 C ATOM 1967 C ALA A 131 7.147 3.854 12.861 1.00 0.61 C ATOM 1968 O ALA A 131 7.986 3.132 13.398 1.00 0.70 O ATOM 1969 CB ALA A 131 5.181 3.079 11.461 1.00 0.64 C ATOM 0 H ALA A 131 4.158 4.886 12.721 1.00 0.59 H new ATOM 0 HA ALA A 131 5.576 2.586 13.508 1.00 0.64 H new ATOM 0 HB1 ALA A 131 5.802 2.275 11.066 1.00 0.64 H new ATOM 0 HB2 ALA A 131 4.145 2.745 11.514 1.00 0.64 H new ATOM 0 HB3 ALA A 131 5.249 3.946 10.804 1.00 0.64 H new ATOM 1975 N VAL A 132 7.496 4.985 12.246 1.00 0.53 N ATOM 1976 CA VAL A 132 8.898 5.360 12.119 1.00 0.53 C ATOM 1977 C VAL A 132 9.485 5.752 13.479 1.00 0.63 C ATOM 1978 O VAL A 132 10.652 5.475 13.768 1.00 0.67 O ATOM 1979 CB VAL A 132 9.078 6.425 11.030 1.00 0.50 C ATOM 1980 CG1 VAL A 132 10.489 7.018 11.107 1.00 1.60 C ATOM 1981 CG2 VAL A 132 8.901 5.753 9.660 1.00 1.17 C ATOM 0 H VAL A 132 6.836 5.646 11.835 1.00 0.53 H new ATOM 0 HA VAL A 132 9.474 4.496 11.789 1.00 0.53 H new ATOM 0 HB VAL A 132 8.344 7.219 11.170 1.00 0.50 H new ATOM 0 HG11 VAL A 132 10.609 7.773 10.330 1.00 1.60 H new ATOM 0 HG12 VAL A 132 10.638 7.476 12.085 1.00 1.60 H new ATOM 0 HG13 VAL A 132 11.225 6.227 10.960 1.00 1.60 H new ATOM 0 HG21 VAL A 132 9.026 6.495 8.872 1.00 1.17 H new ATOM 0 HG22 VAL A 132 9.648 4.968 9.541 1.00 1.17 H new ATOM 0 HG23 VAL A 132 7.904 5.318 9.594 1.00 1.17 H new ATOM 1991 N ASP A 133 8.666 6.363 14.329 1.00 0.69 N ATOM 1992 CA ASP A 133 9.023 6.732 15.676 1.00 0.85 C ATOM 1993 C ASP A 133 9.397 5.464 16.444 1.00 0.92 C ATOM 1994 O ASP A 133 10.431 5.402 17.102 1.00 1.00 O ATOM 1995 CB ASP A 133 7.831 7.463 16.308 1.00 0.93 C ATOM 1996 CG ASP A 133 7.559 8.836 15.677 1.00 2.08 C ATOM 1997 OD1 ASP A 133 8.450 9.410 15.008 1.00 2.62 O ATOM 1998 OD2 ASP A 133 6.422 9.347 15.799 1.00 3.29 O ATOM 0 H ASP A 133 7.710 6.618 14.083 1.00 0.69 H new ATOM 0 HA ASP A 133 9.882 7.403 15.698 1.00 0.85 H new ATOM 0 HB2 ASP A 133 6.940 6.843 16.211 1.00 0.93 H new ATOM 0 HB3 ASP A 133 8.016 7.591 17.375 1.00 0.93 H new ATOM 2003 N LYS A 134 8.569 4.428 16.311 1.00 0.92 N ATOM 2004 CA LYS A 134 8.779 3.117 16.904 1.00 1.01 C ATOM 2005 C LYS A 134 10.020 2.421 16.324 1.00 0.88 C ATOM 2006 O LYS A 134 10.764 1.780 17.063 1.00 1.07 O ATOM 2007 CB LYS A 134 7.481 2.341 16.692 1.00 1.15 C ATOM 2008 CG LYS A 134 7.326 1.021 17.447 1.00 1.18 C ATOM 2009 CD LYS A 134 5.836 0.661 17.339 1.00 1.27 C ATOM 2010 CE LYS A 134 5.020 1.242 18.502 1.00 1.76 C ATOM 2011 NZ LYS A 134 3.580 1.255 18.187 1.00 2.24 N ATOM 0 H LYS A 134 7.707 4.485 15.769 1.00 0.92 H new ATOM 0 HA LYS A 134 8.994 3.186 17.970 1.00 1.01 H new ATOM 0 HB2 LYS A 134 6.650 2.989 16.971 1.00 1.15 H new ATOM 0 HB3 LYS A 134 7.381 2.135 15.626 1.00 1.15 H new ATOM 0 HG2 LYS A 134 7.951 0.242 17.009 1.00 1.18 H new ATOM 0 HG3 LYS A 134 7.630 1.126 18.488 1.00 1.18 H new ATOM 0 HD2 LYS A 134 5.440 1.035 16.395 1.00 1.27 H new ATOM 0 HD3 LYS A 134 5.725 -0.423 17.324 1.00 1.27 H new ATOM 0 HE2 LYS A 134 5.193 0.652 19.402 1.00 1.76 H new ATOM 0 HE3 LYS A 134 5.358 2.256 18.716 1.00 1.76 H new ATOM 0 HZ1 LYS A 134 3.103 1.972 18.771 1.00 2.24 H new ATOM 0 HZ2 LYS A 134 3.447 1.483 17.181 1.00 2.24 H new ATOM 0 HZ3 LYS A 134 3.172 0.319 18.387 1.00 2.24 H new ATOM 2025 N LEU A 135 10.264 2.546 15.014 1.00 0.64 N ATOM 2026 CA LEU A 135 11.527 2.119 14.399 1.00 0.57 C ATOM 2027 C LEU A 135 12.718 2.922 14.944 1.00 0.58 C ATOM 2028 O LEU A 135 13.829 2.396 14.991 1.00 0.67 O ATOM 2029 CB LEU A 135 11.448 2.232 12.868 1.00 0.51 C ATOM 2030 CG LEU A 135 10.960 0.974 12.127 1.00 0.60 C ATOM 2031 CD1 LEU A 135 12.126 0.015 11.859 1.00 0.58 C ATOM 2032 CD2 LEU A 135 9.818 0.238 12.842 1.00 1.13 C ATOM 0 H LEU A 135 9.596 2.944 14.354 1.00 0.64 H new ATOM 0 HA LEU A 135 11.688 1.073 14.661 1.00 0.57 H new ATOM 0 HB2 LEU A 135 10.783 3.059 12.618 1.00 0.51 H new ATOM 0 HB3 LEU A 135 12.437 2.492 12.490 1.00 0.51 H new ATOM 0 HG LEU A 135 10.551 1.327 11.180 1.00 0.60 H new ATOM 0 HD11 LEU A 135 11.758 -0.867 11.335 1.00 0.58 H new ATOM 0 HD12 LEU A 135 12.875 0.516 11.246 1.00 0.58 H new ATOM 0 HD13 LEU A 135 12.574 -0.286 12.806 1.00 0.58 H new ATOM 0 HD21 LEU A 135 9.528 -0.637 12.260 1.00 1.13 H new ATOM 0 HD22 LEU A 135 10.151 -0.078 13.831 1.00 1.13 H new ATOM 0 HD23 LEU A 135 8.962 0.906 12.944 1.00 1.13 H new ATOM 2044 N GLY A 136 12.495 4.174 15.345 1.00 0.62 N ATOM 2045 CA GLY A 136 13.469 4.998 16.048 1.00 0.67 C ATOM 2046 C GLY A 136 14.129 6.019 15.128 1.00 0.66 C ATOM 2047 O GLY A 136 15.333 6.245 15.231 1.00 0.75 O ATOM 0 H GLY A 136 11.608 4.652 15.184 1.00 0.62 H new ATOM 0 HA2 GLY A 136 12.977 5.517 16.871 1.00 0.67 H new ATOM 0 HA3 GLY A 136 14.235 4.358 16.487 1.00 0.67 H new ATOM 2051 N TYR A 137 13.348 6.658 14.250 1.00 0.64 N ATOM 2052 CA TYR A 137 13.794 7.781 13.426 1.00 0.65 C ATOM 2053 C TYR A 137 12.689 8.840 13.427 1.00 0.67 C ATOM 2054 O TYR A 137 11.738 8.691 14.190 1.00 0.75 O ATOM 2055 CB TYR A 137 14.105 7.289 12.010 1.00 0.60 C ATOM 2056 CG TYR A 137 14.991 6.058 11.953 1.00 0.64 C ATOM 2057 CD1 TYR A 137 16.334 6.137 12.367 1.00 2.17 C ATOM 2058 CD2 TYR A 137 14.416 4.800 11.695 1.00 1.64 C ATOM 2059 CE1 TYR A 137 17.085 4.963 12.548 1.00 2.24 C ATOM 2060 CE2 TYR A 137 15.176 3.629 11.851 1.00 1.62 C ATOM 2061 CZ TYR A 137 16.498 3.710 12.318 1.00 0.82 C ATOM 2062 OH TYR A 137 17.208 2.570 12.548 1.00 0.96 O ATOM 0 H TYR A 137 12.373 6.403 14.091 1.00 0.64 H new ATOM 0 HA TYR A 137 14.707 8.221 13.826 1.00 0.65 H new ATOM 0 HB2 TYR A 137 13.167 7.070 11.501 1.00 0.60 H new ATOM 0 HB3 TYR A 137 14.588 8.095 11.457 1.00 0.60 H new ATOM 0 HD1 TYR A 137 16.788 7.101 12.546 1.00 2.17 H new ATOM 0 HD2 TYR A 137 13.386 4.734 11.376 1.00 1.64 H new ATOM 0 HE1 TYR A 137 18.116 5.026 12.865 1.00 2.24 H new ATOM 0 HE2 TYR A 137 14.744 2.668 11.612 1.00 1.62 H new ATOM 0 HH TYR A 137 18.032 2.585 12.018 1.00 0.96 H new ATOM 2072 N LYS A 138 12.769 9.880 12.583 1.00 0.68 N ATOM 2073 CA LYS A 138 11.674 10.837 12.450 1.00 0.73 C ATOM 2074 C LYS A 138 11.322 11.043 10.974 1.00 0.58 C ATOM 2075 O LYS A 138 12.202 11.271 10.141 1.00 0.64 O ATOM 2076 CB LYS A 138 12.009 12.138 13.197 1.00 0.96 C ATOM 2077 CG LYS A 138 12.837 13.112 12.356 1.00 1.30 C ATOM 2078 CD LYS A 138 13.580 14.126 13.233 1.00 1.96 C ATOM 2079 CE LYS A 138 13.510 15.542 12.640 1.00 3.03 C ATOM 2080 NZ LYS A 138 14.612 16.402 13.116 1.00 3.82 N ATOM 0 H LYS A 138 13.576 10.074 11.990 1.00 0.68 H new ATOM 0 HA LYS A 138 10.775 10.440 12.921 1.00 0.73 H new ATOM 0 HB2 LYS A 138 11.083 12.625 13.501 1.00 0.96 H new ATOM 0 HB3 LYS A 138 12.556 11.897 14.108 1.00 0.96 H new ATOM 0 HG2 LYS A 138 13.556 12.555 11.755 1.00 1.30 H new ATOM 0 HG3 LYS A 138 12.183 13.641 11.662 1.00 1.30 H new ATOM 0 HD2 LYS A 138 13.148 14.128 14.234 1.00 1.96 H new ATOM 0 HD3 LYS A 138 14.622 13.825 13.336 1.00 1.96 H new ATOM 0 HE2 LYS A 138 13.544 15.480 11.552 1.00 3.03 H new ATOM 0 HE3 LYS A 138 12.556 15.998 12.904 1.00 3.03 H new ATOM 0 HZ1 LYS A 138 14.279 17.385 13.189 1.00 3.82 H new ATOM 0 HZ2 LYS A 138 14.930 16.074 14.050 1.00 3.82 H new ATOM 0 HZ3 LYS A 138 15.405 16.354 12.444 1.00 3.82 H new ATOM 2094 N LEU A 139 10.026 10.984 10.658 1.00 0.53 N ATOM 2095 CA LEU A 139 9.513 11.410 9.366 1.00 0.54 C ATOM 2096 C LEU A 139 9.205 12.901 9.399 1.00 0.55 C ATOM 2097 O LEU A 139 8.855 13.452 10.444 1.00 0.75 O ATOM 2098 CB LEU A 139 8.238 10.649 8.997 1.00 0.79 C ATOM 2099 CG LEU A 139 8.516 9.236 8.480 1.00 0.47 C ATOM 2100 CD1 LEU A 139 7.188 8.485 8.421 1.00 1.62 C ATOM 2101 CD2 LEU A 139 9.160 9.225 7.089 1.00 1.19 C ATOM 0 H LEU A 139 9.308 10.639 11.295 1.00 0.53 H new ATOM 0 HA LEU A 139 10.277 11.199 8.618 1.00 0.54 H new ATOM 0 HB2 LEU A 139 7.591 10.589 9.872 1.00 0.79 H new ATOM 0 HB3 LEU A 139 7.694 11.209 8.236 1.00 0.79 H new ATOM 0 HG LEU A 139 9.223 8.761 9.161 1.00 0.47 H new ATOM 0 HD11 LEU A 139 7.358 7.473 8.055 1.00 1.62 H new ATOM 0 HD12 LEU A 139 6.750 8.441 9.418 1.00 1.62 H new ATOM 0 HD13 LEU A 139 6.506 9.004 7.748 1.00 1.62 H new ATOM 0 HD21 LEU A 139 9.333 8.195 6.776 1.00 1.19 H new ATOM 0 HD22 LEU A 139 8.496 9.714 6.377 1.00 1.19 H new ATOM 0 HD23 LEU A 139 10.110 9.758 7.124 1.00 1.19 H new ATOM 2113 N LYS A 140 9.298 13.525 8.228 1.00 0.52 N ATOM 2114 CA LYS A 140 8.845 14.866 7.920 1.00 0.55 C ATOM 2115 C LYS A 140 8.079 14.777 6.597 1.00 0.49 C ATOM 2116 O LYS A 140 8.140 13.762 5.907 1.00 0.49 O ATOM 2117 CB LYS A 140 10.065 15.788 7.784 1.00 0.62 C ATOM 2118 CG LYS A 140 10.759 16.077 9.123 1.00 0.79 C ATOM 2119 CD LYS A 140 10.034 17.178 9.910 1.00 1.44 C ATOM 2120 CE LYS A 140 10.504 18.565 9.443 1.00 1.96 C ATOM 2121 NZ LYS A 140 9.608 19.646 9.905 1.00 2.72 N ATOM 0 H LYS A 140 9.721 13.071 7.419 1.00 0.52 H new ATOM 0 HA LYS A 140 8.203 15.271 8.702 1.00 0.55 H new ATOM 0 HB2 LYS A 140 10.782 15.332 7.102 1.00 0.62 H new ATOM 0 HB3 LYS A 140 9.752 16.730 7.334 1.00 0.62 H new ATOM 0 HG2 LYS A 140 10.794 15.165 9.720 1.00 0.79 H new ATOM 0 HG3 LYS A 140 11.791 16.378 8.941 1.00 0.79 H new ATOM 0 HD2 LYS A 140 8.957 17.085 9.770 1.00 1.44 H new ATOM 0 HD3 LYS A 140 10.228 17.061 10.976 1.00 1.44 H new ATOM 0 HE2 LYS A 140 11.512 18.748 9.814 1.00 1.96 H new ATOM 0 HE3 LYS A 140 10.557 18.581 8.354 1.00 1.96 H new ATOM 0 HZ1 LYS A 140 9.965 20.562 9.566 1.00 2.72 H new ATOM 0 HZ2 LYS A 140 8.651 19.488 9.530 1.00 2.72 H new ATOM 0 HZ3 LYS A 140 9.576 19.650 10.945 1.00 2.72 H new ATOM 2135 N LEU A 141 7.345 15.830 6.250 1.00 0.52 N ATOM 2136 CA LEU A 141 6.617 15.931 4.995 1.00 0.53 C ATOM 2137 C LEU A 141 7.358 16.892 4.057 1.00 0.56 C ATOM 2138 O LEU A 141 8.015 17.814 4.539 1.00 0.71 O ATOM 2139 CB LEU A 141 5.194 16.423 5.268 1.00 0.68 C ATOM 2140 CG LEU A 141 4.376 15.502 6.196 1.00 0.94 C ATOM 2141 CD1 LEU A 141 4.680 15.693 7.692 1.00 0.96 C ATOM 2142 CD2 LEU A 141 2.879 15.741 5.964 1.00 1.77 C ATOM 0 H LEU A 141 7.239 16.651 6.846 1.00 0.52 H new ATOM 0 HA LEU A 141 6.557 14.953 4.517 1.00 0.53 H new ATOM 0 HB2 LEU A 141 5.244 17.417 5.713 1.00 0.68 H new ATOM 0 HB3 LEU A 141 4.668 16.524 4.319 1.00 0.68 H new ATOM 0 HG LEU A 141 4.664 14.482 5.941 1.00 0.94 H new ATOM 0 HD11 LEU A 141 4.065 15.010 8.278 1.00 0.96 H new ATOM 0 HD12 LEU A 141 5.733 15.484 7.879 1.00 0.96 H new ATOM 0 HD13 LEU A 141 4.457 16.720 7.980 1.00 0.96 H new ATOM 0 HD21 LEU A 141 2.301 15.090 6.620 1.00 1.77 H new ATOM 0 HD22 LEU A 141 2.639 16.782 6.182 1.00 1.77 H new ATOM 0 HD23 LEU A 141 2.632 15.521 4.925 1.00 1.77 H new ATOM 2154 N LYS A 142 7.248 16.700 2.737 1.00 0.59 N ATOM 2155 CA LYS A 142 7.755 17.616 1.731 1.00 0.78 C ATOM 2156 C LYS A 142 6.570 18.210 0.994 1.00 1.32 C ATOM 2157 O LYS A 142 5.801 17.483 0.370 1.00 1.66 O ATOM 2158 CB LYS A 142 8.610 16.884 0.701 1.00 0.62 C ATOM 2159 CG LYS A 142 9.893 16.356 1.338 1.00 0.92 C ATOM 2160 CD LYS A 142 10.919 15.905 0.294 1.00 1.05 C ATOM 2161 CE LYS A 142 11.599 17.089 -0.410 1.00 1.83 C ATOM 2162 NZ LYS A 142 12.601 16.632 -1.392 1.00 2.64 N ATOM 0 H LYS A 142 6.791 15.880 2.338 1.00 0.59 H new ATOM 0 HA LYS A 142 8.358 18.377 2.226 1.00 0.78 H new ATOM 0 HB2 LYS A 142 8.044 16.057 0.274 1.00 0.62 H new ATOM 0 HB3 LYS A 142 8.857 17.559 -0.119 1.00 0.62 H new ATOM 0 HG2 LYS A 142 10.332 17.134 1.963 1.00 0.92 H new ATOM 0 HG3 LYS A 142 9.653 15.519 1.993 1.00 0.92 H new ATOM 0 HD2 LYS A 142 11.678 15.289 0.777 1.00 1.05 H new ATOM 0 HD3 LYS A 142 10.425 15.279 -0.449 1.00 1.05 H new ATOM 0 HE2 LYS A 142 10.846 17.696 -0.913 1.00 1.83 H new ATOM 0 HE3 LYS A 142 12.080 17.727 0.332 1.00 1.83 H new ATOM 0 HZ1 LYS A 142 13.041 17.456 -1.849 1.00 2.64 H new ATOM 0 HZ2 LYS A 142 13.332 16.074 -0.907 1.00 2.64 H new ATOM 0 HZ3 LYS A 142 12.137 16.043 -2.113 1.00 2.64 H new