USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=32 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 108 ASN : amide:sc= 0.0314 X(o=-0.28,f=-0.3) USER MOD Set 1.2: A 113 THR OG1 : rot 77:sc= -0.307 USER MOD Set 2.1: A 88 CYS SG : rot -111:sc= 0.67 USER MOD Set 2.2: A 137 TYR OH : rot -49:sc= 0.564 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 177:sc= 1.01 (180deg=-0.308) USER MOD Set 3.2: A 50 TYR OH : rot -15:sc= 0.7 USER MOD Set 4.1: A 40 ASN : amide:sc= 0 X(o=0.45,f=0.39) USER MOD Set 4.2: A 47 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Set 5.1: A 43 THR OG1 : rot -14:sc= 1.17 USER MOD Set 5.2: A 45 THR OG1 : rot 112:sc= 2.27 USER MOD Set 5.3: A 121 LYS NZ :NH3+ -149:sc= 0.494 (180deg=-1.75) USER MOD Set 6.1: A 5 GLN : amide:sc= 1.4 K(o=2.7,f=-3.6) USER MOD Set 6.2: A 35 THR OG1 : rot 137:sc= 1.29 USER MOD Set 7.1: A 16 THR OG1 : rot 100:sc= 1.1 USER MOD Set 7.2: A 20 CYS SG : rot 50:sc= 1.54 USER MOD Set 7.3: A 69 TYR OH : rot 173:sc= 0.895 USER MOD Set 8.1: A 10 MET CE :methyl 164:sc= 0 (180deg=-0.487) USER MOD Set 8.2: A 73 THR OG1 : rot -117:sc= 0.663 USER MOD Single : A 11 GLN : amide:sc= -0.687 K(o=-0.69,f=-3.1!) USER MOD Single : A 13 SER OG : rot 75:sc= 1.02 USER MOD Single : A 15 MET CE :methyl -179:sc= -0.591 (180deg=-0.591) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.505 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.923) USER MOD Single : A 31 MET CE :methyl 162:sc= 0 (180deg=-0.305) USER MOD Single : A 38 ASN : amide:sc= 0.918 K(o=0.92,f=-0.27) USER MOD Single : A 55 THR OG1 : rot 10:sc= 0.71 USER MOD Single : A 57 THR OG1 : rot -133:sc= 0.864 USER MOD Single : A 61 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= -1.04 (180deg=-1.48) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.06) USER MOD Single : A 70 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.41) USER MOD Single : A 83 MET CE :methyl -157:sc= -1.31 (180deg=-2.05) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.988 K(o=0.99,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 1.07 K(o=1.1,f=-0.3) 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 119 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.2!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 170:sc= -0.909! (180deg=-1.11) USER MOD Single : A 134 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0405) USER MOD Single : A 138 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.05) 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 1.175 -15.170 4.382 1.00 0.80 N ATOM 66 CA GLN A 5 0.146 -14.361 3.756 1.00 0.70 C ATOM 67 C GLN A 5 0.068 -13.015 4.464 1.00 0.77 C ATOM 68 O GLN A 5 0.142 -12.965 5.690 1.00 1.07 O ATOM 69 CB GLN A 5 -1.211 -15.081 3.778 1.00 0.77 C ATOM 70 CG GLN A 5 -1.151 -16.494 3.181 1.00 0.84 C ATOM 71 CD GLN A 5 -0.393 -16.508 1.858 1.00 0.92 C ATOM 72 OE1 GLN A 5 -0.876 -15.982 0.860 1.00 2.15 O ATOM 73 NE2 GLN A 5 0.814 -17.066 1.871 1.00 1.29 N ATOM 0 HA GLN A 5 0.405 -14.197 2.710 1.00 0.70 H new ATOM 0 HB2 GLN A 5 -1.567 -15.142 4.806 1.00 0.77 H new ATOM 0 HB3 GLN A 5 -1.939 -14.489 3.223 1.00 0.77 H new ATOM 0 HG2 GLN A 5 -0.666 -17.168 3.887 1.00 0.84 H new ATOM 0 HG3 GLN A 5 -2.163 -16.868 3.026 1.00 0.84 H new ATOM 0 HE21 GLN A 5 1.170 -17.491 2.727 1.00 1.29 H new ATOM 0 HE22 GLN A 5 1.383 -17.069 1.025 1.00 1.29 H new ATOM 82 N LYS A 6 -0.091 -11.935 3.695 1.00 0.64 N ATOM 83 CA LYS A 6 -0.437 -10.630 4.246 1.00 0.69 C ATOM 84 C LYS A 6 -1.914 -10.359 3.981 1.00 0.80 C ATOM 85 O LYS A 6 -2.531 -11.101 3.221 1.00 1.21 O ATOM 86 CB LYS A 6 0.433 -9.537 3.614 1.00 0.86 C ATOM 87 CG LYS A 6 0.003 -9.197 2.177 1.00 1.23 C ATOM 88 CD LYS A 6 0.520 -7.818 1.775 1.00 1.40 C ATOM 89 CE LYS A 6 1.894 -7.907 1.112 1.00 1.10 C ATOM 90 NZ LYS A 6 2.153 -6.697 0.316 1.00 1.95 N ATOM 0 H LYS A 6 0.016 -11.943 2.681 1.00 0.64 H new ATOM 0 HA LYS A 6 -0.254 -10.625 5.321 1.00 0.69 H new ATOM 0 HB2 LYS A 6 0.382 -8.637 4.227 1.00 0.86 H new ATOM 0 HB3 LYS A 6 1.473 -9.862 3.611 1.00 0.86 H new ATOM 0 HG2 LYS A 6 0.387 -9.950 1.489 1.00 1.23 H new ATOM 0 HG3 LYS A 6 -1.084 -9.220 2.102 1.00 1.23 H new ATOM 0 HD2 LYS A 6 -0.186 -7.349 1.090 1.00 1.40 H new ATOM 0 HD3 LYS A 6 0.581 -7.180 2.656 1.00 1.40 H new ATOM 0 HE2 LYS A 6 2.666 -8.023 1.873 1.00 1.10 H new ATOM 0 HE3 LYS A 6 1.941 -8.789 0.473 1.00 1.10 H new ATOM 0 HZ1 LYS A 6 3.110 -6.746 -0.089 1.00 1.95 H new ATOM 0 HZ2 LYS A 6 1.455 -6.631 -0.452 1.00 1.95 H new ATOM 0 HZ3 LYS A 6 2.077 -5.858 0.926 1.00 1.95 H new ATOM 104 N GLU A 7 -2.412 -9.223 4.471 1.00 0.64 N ATOM 105 CA GLU A 7 -3.685 -8.625 4.126 1.00 0.62 C ATOM 106 C GLU A 7 -3.377 -7.195 3.685 1.00 0.68 C ATOM 107 O GLU A 7 -2.804 -6.438 4.465 1.00 1.12 O ATOM 108 CB GLU A 7 -4.603 -8.614 5.359 1.00 0.71 C ATOM 109 CG GLU A 7 -4.707 -9.986 6.051 1.00 1.75 C ATOM 110 CD GLU A 7 -3.871 -10.058 7.325 1.00 1.83 C ATOM 111 OE1 GLU A 7 -2.634 -9.922 7.208 1.00 2.42 O ATOM 112 OE2 GLU A 7 -4.491 -10.239 8.394 1.00 2.74 O ATOM 0 H GLU A 7 -1.901 -8.670 5.159 1.00 0.64 H new ATOM 0 HA GLU A 7 -4.192 -9.181 3.338 1.00 0.62 H new ATOM 0 HB2 GLU A 7 -4.231 -7.881 6.075 1.00 0.71 H new ATOM 0 HB3 GLU A 7 -5.599 -8.289 5.059 1.00 0.71 H new ATOM 0 HG2 GLU A 7 -5.750 -10.191 6.292 1.00 1.75 H new ATOM 0 HG3 GLU A 7 -4.381 -10.764 5.361 1.00 1.75 H new ATOM 119 N ILE A 8 -3.716 -6.819 2.450 1.00 0.49 N ATOM 120 CA ILE A 8 -3.655 -5.432 2.006 1.00 0.52 C ATOM 121 C ILE A 8 -5.105 -4.941 1.940 1.00 0.46 C ATOM 122 O ILE A 8 -5.922 -5.565 1.261 1.00 0.48 O ATOM 123 CB ILE A 8 -2.873 -5.336 0.673 1.00 0.63 C ATOM 124 CG1 ILE A 8 -1.980 -4.086 0.604 1.00 0.97 C ATOM 125 CG2 ILE A 8 -3.761 -5.406 -0.572 1.00 0.92 C ATOM 126 CD1 ILE A 8 -0.614 -4.378 1.224 1.00 2.65 C ATOM 0 H ILE A 8 -4.039 -7.469 1.734 1.00 0.49 H new ATOM 0 HA ILE A 8 -3.105 -4.784 2.688 1.00 0.52 H new ATOM 0 HB ILE A 8 -2.239 -6.223 0.670 1.00 0.63 H new ATOM 0 HG12 ILE A 8 -1.858 -3.775 -0.433 1.00 0.97 H new ATOM 0 HG13 ILE A 8 -2.457 -3.260 1.131 1.00 0.97 H new ATOM 0 HG21 ILE A 8 -3.141 -5.332 -1.466 1.00 0.92 H new ATOM 0 HG22 ILE A 8 -4.300 -6.353 -0.582 1.00 0.92 H new ATOM 0 HG23 ILE A 8 -4.475 -4.582 -0.557 1.00 0.92 H new ATOM 0 HD11 ILE A 8 0.009 -3.485 1.169 1.00 2.65 H new ATOM 0 HD12 ILE A 8 -0.742 -4.667 2.267 1.00 2.65 H new ATOM 0 HD13 ILE A 8 -0.133 -5.190 0.679 1.00 2.65 H new ATOM 138 N ALA A 9 -5.446 -3.872 2.668 1.00 0.48 N ATOM 139 CA ALA A 9 -6.762 -3.246 2.628 1.00 0.45 C ATOM 140 C ALA A 9 -6.604 -1.875 1.976 1.00 0.47 C ATOM 141 O ALA A 9 -5.821 -1.069 2.461 1.00 0.59 O ATOM 142 CB ALA A 9 -7.323 -3.133 4.048 1.00 0.49 C ATOM 0 H ALA A 9 -4.800 -3.414 3.311 1.00 0.48 H new ATOM 0 HA ALA A 9 -7.466 -3.843 2.048 1.00 0.45 H new ATOM 0 HB1 ALA A 9 -8.307 -2.665 4.014 1.00 0.49 H new ATOM 0 HB2 ALA A 9 -7.409 -4.128 4.485 1.00 0.49 H new ATOM 0 HB3 ALA A 9 -6.653 -2.526 4.657 1.00 0.49 H new ATOM 148 N MET A 10 -7.295 -1.622 0.864 1.00 0.42 N ATOM 149 CA MET A 10 -7.204 -0.380 0.098 1.00 0.52 C ATOM 150 C MET A 10 -8.593 0.014 -0.408 1.00 0.46 C ATOM 151 O MET A 10 -9.553 -0.716 -0.184 1.00 0.36 O ATOM 152 CB MET A 10 -6.183 -0.560 -1.043 1.00 0.66 C ATOM 153 CG MET A 10 -4.750 -0.245 -0.575 1.00 0.68 C ATOM 154 SD MET A 10 -3.959 1.134 -1.435 1.00 1.71 S ATOM 155 CE MET A 10 -3.268 0.283 -2.863 1.00 1.79 C ATOM 0 H MET A 10 -7.950 -2.293 0.461 1.00 0.42 H new ATOM 0 HA MET A 10 -6.850 0.436 0.728 1.00 0.52 H new ATOM 0 HB2 MET A 10 -6.228 -1.584 -1.415 1.00 0.66 H new ATOM 0 HB3 MET A 10 -6.447 0.093 -1.875 1.00 0.66 H new ATOM 0 HG2 MET A 10 -4.771 -0.025 0.492 1.00 0.68 H new ATOM 0 HG3 MET A 10 -4.136 -1.136 -0.705 1.00 0.68 H new ATOM 0 HE1 MET A 10 -2.999 1.013 -3.627 1.00 1.79 H new ATOM 0 HE2 MET A 10 -2.379 -0.271 -2.561 1.00 1.79 H new ATOM 0 HE3 MET A 10 -4.007 -0.409 -3.267 1.00 1.79 H new ATOM 165 N GLN A 11 -8.725 1.181 -1.050 1.00 0.69 N ATOM 166 CA GLN A 11 -9.989 1.735 -1.522 1.00 0.52 C ATOM 167 C GLN A 11 -9.938 1.890 -3.043 1.00 0.48 C ATOM 168 O GLN A 11 -9.079 2.601 -3.568 1.00 0.61 O ATOM 169 CB GLN A 11 -10.233 3.081 -0.831 1.00 0.57 C ATOM 170 CG GLN A 11 -11.692 3.549 -0.946 1.00 1.37 C ATOM 171 CD GLN A 11 -11.841 4.885 -1.660 1.00 2.41 C ATOM 172 OE1 GLN A 11 -12.139 4.920 -2.844 1.00 3.32 O ATOM 173 NE2 GLN A 11 -11.640 5.991 -0.946 1.00 2.88 N ATOM 0 H GLN A 11 -7.927 1.781 -1.259 1.00 0.69 H new ATOM 0 HA GLN A 11 -10.814 1.067 -1.277 1.00 0.52 H new ATOM 0 HB2 GLN A 11 -9.964 2.999 0.222 1.00 0.57 H new ATOM 0 HB3 GLN A 11 -9.578 3.834 -1.269 1.00 0.57 H new ATOM 0 HG2 GLN A 11 -12.268 2.793 -1.480 1.00 1.37 H new ATOM 0 HG3 GLN A 11 -12.121 3.629 0.053 1.00 1.37 H new ATOM 0 HE21 GLN A 11 -11.392 5.923 0.041 1.00 2.88 H new ATOM 0 HE22 GLN A 11 -11.734 6.906 -1.386 1.00 2.88 H new ATOM 182 N VAL A 12 -10.854 1.218 -3.743 1.00 0.51 N ATOM 183 CA VAL A 12 -10.949 1.227 -5.192 1.00 0.47 C ATOM 184 C VAL A 12 -12.188 2.011 -5.624 1.00 0.36 C ATOM 185 O VAL A 12 -13.225 1.931 -4.967 1.00 0.44 O ATOM 186 CB VAL A 12 -10.940 -0.226 -5.695 1.00 0.60 C ATOM 187 CG1 VAL A 12 -12.135 -1.057 -5.203 1.00 0.70 C ATOM 188 CG2 VAL A 12 -10.905 -0.259 -7.221 1.00 0.64 C ATOM 0 H VAL A 12 -11.567 0.639 -3.299 1.00 0.51 H new ATOM 0 HA VAL A 12 -10.094 1.734 -5.641 1.00 0.47 H new ATOM 0 HB VAL A 12 -10.040 -0.678 -5.278 1.00 0.60 H new ATOM 0 HG11 VAL A 12 -12.061 -2.070 -5.598 1.00 0.70 H new ATOM 0 HG12 VAL A 12 -12.131 -1.091 -4.114 1.00 0.70 H new ATOM 0 HG13 VAL A 12 -13.063 -0.600 -5.548 1.00 0.70 H new ATOM 0 HG21 VAL A 12 -10.899 -1.294 -7.563 1.00 0.64 H new ATOM 0 HG22 VAL A 12 -11.785 0.248 -7.616 1.00 0.64 H new ATOM 0 HG23 VAL A 12 -10.006 0.245 -7.575 1.00 0.64 H new ATOM 198 N SER A 13 -12.076 2.767 -6.719 1.00 0.34 N ATOM 199 CA SER A 13 -13.173 3.561 -7.259 1.00 0.38 C ATOM 200 C SER A 13 -14.037 2.748 -8.222 1.00 0.51 C ATOM 201 O SER A 13 -13.731 1.604 -8.542 1.00 0.91 O ATOM 202 CB SER A 13 -12.637 4.770 -8.025 1.00 0.66 C ATOM 203 OG SER A 13 -11.475 5.312 -7.432 1.00 1.18 O ATOM 0 H SER A 13 -11.213 2.843 -7.257 1.00 0.34 H new ATOM 0 HA SER A 13 -13.774 3.880 -6.408 1.00 0.38 H new ATOM 0 HB2 SER A 13 -12.415 4.477 -9.051 1.00 0.66 H new ATOM 0 HB3 SER A 13 -13.409 5.538 -8.073 1.00 0.66 H new ATOM 0 HG SER A 13 -10.709 4.731 -7.623 1.00 1.18 H new ATOM 209 N GLY A 14 -15.097 3.380 -8.736 1.00 0.59 N ATOM 210 CA GLY A 14 -15.893 2.839 -9.830 1.00 0.77 C ATOM 211 C GLY A 14 -16.726 1.651 -9.366 1.00 0.75 C ATOM 212 O GLY A 14 -17.146 0.817 -10.163 1.00 0.70 O ATOM 0 H GLY A 14 -15.424 4.286 -8.399 1.00 0.59 H new ATOM 0 HA2 GLY A 14 -16.549 3.615 -10.225 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -15.237 2.531 -10.644 1.00 0.77 H new ATOM 216 N MET A 15 -16.964 1.577 -8.058 1.00 0.96 N ATOM 217 CA MET A 15 -17.700 0.477 -7.463 1.00 0.96 C ATOM 218 C MET A 15 -19.202 0.552 -7.764 1.00 0.84 C ATOM 219 O MET A 15 -19.992 0.970 -6.922 1.00 1.08 O ATOM 220 CB MET A 15 -17.420 0.428 -5.961 1.00 1.20 C ATOM 221 CG MET A 15 -15.989 -0.045 -5.664 1.00 1.56 C ATOM 222 SD MET A 15 -15.773 -0.894 -4.079 1.00 2.09 S ATOM 223 CE MET A 15 -16.723 -2.396 -4.417 1.00 2.54 C ATOM 0 H MET A 15 -16.651 2.279 -7.387 1.00 0.96 H new ATOM 0 HA MET A 15 -17.353 -0.453 -7.914 1.00 0.96 H new ATOM 0 HB2 MET A 15 -17.573 1.417 -5.530 1.00 1.20 H new ATOM 0 HB3 MET A 15 -18.132 -0.243 -5.480 1.00 1.20 H new ATOM 0 HG2 MET A 15 -15.671 -0.715 -6.463 1.00 1.56 H new ATOM 0 HG3 MET A 15 -15.325 0.819 -5.689 1.00 1.56 H new ATOM 0 HE1 MET A 15 -16.716 -3.037 -3.536 1.00 2.54 H new ATOM 0 HE2 MET A 15 -17.751 -2.129 -4.663 1.00 2.54 H new ATOM 0 HE3 MET A 15 -16.276 -2.928 -5.257 1.00 2.54 H new ATOM 233 N THR A 16 -19.612 0.064 -8.938 1.00 0.76 N ATOM 234 CA THR A 16 -21.021 -0.065 -9.308 1.00 0.85 C ATOM 235 C THR A 16 -21.798 -1.000 -8.365 1.00 0.89 C ATOM 236 O THR A 16 -23.021 -0.915 -8.324 1.00 1.08 O ATOM 237 CB THR A 16 -21.121 -0.529 -10.768 1.00 1.00 C ATOM 238 OG1 THR A 16 -20.243 0.262 -11.542 1.00 1.05 O ATOM 239 CG2 THR A 16 -22.530 -0.398 -11.356 1.00 1.31 C ATOM 0 H THR A 16 -18.969 -0.255 -9.663 1.00 0.76 H new ATOM 0 HA THR A 16 -21.490 0.914 -9.207 1.00 0.85 H new ATOM 0 HB THR A 16 -20.861 -1.587 -10.790 1.00 1.00 H new ATOM 0 HG1 THR A 16 -19.415 -0.235 -11.708 1.00 1.05 H new ATOM 0 HG21 THR A 16 -22.526 -0.744 -12.390 1.00 1.31 H new ATOM 0 HG22 THR A 16 -23.225 -1.003 -10.773 1.00 1.31 H new ATOM 0 HG23 THR A 16 -22.842 0.646 -11.324 1.00 1.31 H new ATOM 247 N CYS A 17 -21.096 -1.878 -7.631 1.00 0.93 N ATOM 248 CA CYS A 17 -21.635 -2.826 -6.646 1.00 1.20 C ATOM 249 C CYS A 17 -22.052 -4.146 -7.300 1.00 1.08 C ATOM 250 O CYS A 17 -22.540 -4.156 -8.427 1.00 2.34 O ATOM 251 CB CYS A 17 -22.762 -2.234 -5.777 1.00 2.28 C ATOM 252 SG CYS A 17 -23.304 -3.456 -4.561 1.00 3.18 S ATOM 0 H CYS A 17 -20.082 -1.948 -7.714 1.00 0.93 H new ATOM 0 HA CYS A 17 -20.816 -3.041 -5.960 1.00 1.20 H new ATOM 0 HB2 CYS A 17 -22.409 -1.335 -5.271 1.00 2.28 H new ATOM 0 HB3 CYS A 17 -23.601 -1.937 -6.406 1.00 2.28 H new ATOM 0 HG CYS A 17 -24.253 -2.950 -3.830 1.00 3.18 H new ATOM 258 N ALA A 18 -21.818 -5.263 -6.596 1.00 1.40 N ATOM 259 CA ALA A 18 -22.243 -6.619 -6.952 1.00 1.80 C ATOM 260 C ALA A 18 -21.984 -6.984 -8.418 1.00 1.69 C ATOM 261 O ALA A 18 -22.780 -7.683 -9.041 1.00 3.38 O ATOM 262 CB ALA A 18 -23.711 -6.818 -6.555 1.00 2.70 C ATOM 0 H ALA A 18 -21.300 -5.241 -5.718 1.00 1.40 H new ATOM 0 HA ALA A 18 -21.623 -7.314 -6.386 1.00 1.80 H new ATOM 0 HB1 ALA A 18 -24.026 -7.827 -6.820 1.00 2.70 H new ATOM 0 HB2 ALA A 18 -23.820 -6.675 -5.480 1.00 2.70 H new ATOM 0 HB3 ALA A 18 -24.332 -6.094 -7.082 1.00 2.70 H new ATOM 268 N ALA A 19 -20.849 -6.534 -8.958 1.00 1.11 N ATOM 269 CA ALA A 19 -20.471 -6.742 -10.348 1.00 1.04 C ATOM 270 C ALA A 19 -19.019 -6.316 -10.521 1.00 0.82 C ATOM 271 O ALA A 19 -18.162 -7.118 -10.875 1.00 0.77 O ATOM 272 CB ALA A 19 -21.388 -5.935 -11.279 1.00 1.76 C ATOM 0 H ALA A 19 -20.157 -6.005 -8.427 1.00 1.11 H new ATOM 0 HA ALA A 19 -20.578 -7.795 -10.609 1.00 1.04 H new ATOM 0 HB1 ALA A 19 -21.092 -6.101 -12.315 1.00 1.76 H new ATOM 0 HB2 ALA A 19 -22.420 -6.256 -11.140 1.00 1.76 H new ATOM 0 HB3 ALA A 19 -21.303 -4.874 -11.043 1.00 1.76 H new ATOM 278 N CYS A 20 -18.743 -5.046 -10.225 1.00 0.76 N ATOM 279 CA CYS A 20 -17.423 -4.447 -10.346 1.00 0.71 C ATOM 280 C CYS A 20 -16.477 -5.164 -9.398 1.00 0.55 C ATOM 281 O CYS A 20 -15.479 -5.749 -9.817 1.00 0.52 O ATOM 282 CB CYS A 20 -17.513 -2.953 -10.021 1.00 0.77 C ATOM 283 SG CYS A 20 -18.144 -2.092 -11.476 1.00 0.90 S ATOM 0 H CYS A 20 -19.451 -4.394 -9.887 1.00 0.76 H new ATOM 0 HA CYS A 20 -17.043 -4.548 -11.363 1.00 0.71 H new ATOM 0 HB2 CYS A 20 -18.171 -2.789 -9.168 1.00 0.77 H new ATOM 0 HB3 CYS A 20 -16.532 -2.565 -9.746 1.00 0.77 H new ATOM 0 HG CYS A 20 -19.216 -2.691 -11.904 1.00 0.90 H new ATOM 289 N ALA A 21 -16.867 -5.175 -8.122 1.00 0.50 N ATOM 290 CA ALA A 21 -16.280 -6.016 -7.095 1.00 0.48 C ATOM 291 C ALA A 21 -16.030 -7.414 -7.647 1.00 0.49 C ATOM 292 O ALA A 21 -14.887 -7.832 -7.781 1.00 0.52 O ATOM 293 CB ALA A 21 -17.236 -6.077 -5.898 1.00 0.73 C ATOM 0 H ALA A 21 -17.619 -4.582 -7.773 1.00 0.50 H new ATOM 0 HA ALA A 21 -15.325 -5.598 -6.775 1.00 0.48 H new ATOM 0 HB1 ALA A 21 -16.805 -6.707 -5.120 1.00 0.73 H new ATOM 0 HB2 ALA A 21 -17.393 -5.072 -5.506 1.00 0.73 H new ATOM 0 HB3 ALA A 21 -18.191 -6.496 -6.216 1.00 0.73 H new ATOM 299 N ALA A 22 -17.100 -8.120 -8.012 1.00 0.60 N ATOM 300 CA ALA A 22 -17.008 -9.509 -8.441 1.00 0.73 C ATOM 301 C ALA A 22 -15.978 -9.675 -9.560 1.00 0.67 C ATOM 302 O ALA A 22 -15.202 -10.629 -9.552 1.00 0.70 O ATOM 303 CB ALA A 22 -18.388 -10.016 -8.869 1.00 0.93 C ATOM 0 H ALA A 22 -18.048 -7.745 -8.018 1.00 0.60 H new ATOM 0 HA ALA A 22 -16.666 -10.112 -7.600 1.00 0.73 H new ATOM 0 HB1 ALA A 22 -18.311 -11.055 -9.188 1.00 0.93 H new ATOM 0 HB2 ALA A 22 -19.078 -9.945 -8.029 1.00 0.93 H new ATOM 0 HB3 ALA A 22 -18.758 -9.409 -9.695 1.00 0.93 H new ATOM 309 N ARG A 23 -15.950 -8.741 -10.512 1.00 0.65 N ATOM 310 CA ARG A 23 -14.993 -8.749 -11.596 1.00 0.70 C ATOM 311 C ARG A 23 -13.575 -8.616 -11.062 1.00 0.60 C ATOM 312 O ARG A 23 -12.701 -9.372 -11.489 1.00 0.63 O ATOM 313 CB ARG A 23 -15.312 -7.630 -12.600 1.00 0.77 C ATOM 314 CG ARG A 23 -16.087 -8.163 -13.808 1.00 0.93 C ATOM 315 CD ARG A 23 -15.240 -9.201 -14.561 1.00 1.02 C ATOM 316 NE ARG A 23 -15.455 -9.104 -16.015 1.00 1.15 N ATOM 317 CZ ARG A 23 -14.589 -9.499 -16.964 1.00 1.52 C ATOM 318 NH1 ARG A 23 -13.448 -10.108 -16.619 1.00 2.36 N ATOM 319 NH2 ARG A 23 -14.867 -9.284 -18.255 1.00 1.54 N ATOM 0 H ARG A 23 -16.600 -7.956 -10.544 1.00 0.65 H new ATOM 0 HA ARG A 23 -15.066 -9.704 -12.116 1.00 0.70 H new ATOM 0 HB2 ARG A 23 -15.895 -6.853 -12.107 1.00 0.77 H new ATOM 0 HB3 ARG A 23 -14.385 -7.167 -12.937 1.00 0.77 H new ATOM 0 HG2 ARG A 23 -17.023 -8.615 -13.479 1.00 0.93 H new ATOM 0 HG3 ARG A 23 -16.347 -7.341 -14.475 1.00 0.93 H new ATOM 0 HD2 ARG A 23 -14.185 -9.048 -14.335 1.00 1.02 H new ATOM 0 HD3 ARG A 23 -15.497 -10.203 -14.218 1.00 1.02 H new ATOM 0 HE ARG A 23 -16.338 -8.702 -16.329 1.00 1.15 H new ATOM 0 HH11 ARG A 23 -13.235 -10.273 -15.635 1.00 2.36 H new ATOM 0 HH12 ARG A 23 -12.791 -10.407 -17.340 1.00 2.36 H new ATOM 0 HH21 ARG A 23 -15.736 -8.820 -18.519 1.00 1.54 H new ATOM 0 HH22 ARG A 23 -14.210 -9.584 -18.975 1.00 1.54 H new ATOM 333 N ILE A 24 -13.338 -7.665 -10.158 1.00 0.51 N ATOM 334 CA ILE A 24 -12.023 -7.490 -9.579 1.00 0.48 C ATOM 335 C ILE A 24 -11.659 -8.768 -8.832 1.00 0.45 C ATOM 336 O ILE A 24 -10.664 -9.396 -9.179 1.00 0.50 O ATOM 337 CB ILE A 24 -11.986 -6.226 -8.708 1.00 0.47 C ATOM 338 CG1 ILE A 24 -12.189 -4.996 -9.614 1.00 0.59 C ATOM 339 CG2 ILE A 24 -10.663 -6.114 -7.959 1.00 0.51 C ATOM 340 CD1 ILE A 24 -12.420 -3.712 -8.822 1.00 0.58 C ATOM 0 H ILE A 24 -14.042 -7.011 -9.817 1.00 0.51 H new ATOM 0 HA ILE A 24 -11.267 -7.331 -10.348 1.00 0.48 H new ATOM 0 HB ILE A 24 -12.782 -6.280 -7.966 1.00 0.47 H new ATOM 0 HG12 ILE A 24 -11.314 -4.872 -10.252 1.00 0.59 H new ATOM 0 HG13 ILE A 24 -13.041 -5.171 -10.271 1.00 0.59 H new ATOM 0 HG21 ILE A 24 -10.665 -5.210 -7.350 1.00 0.51 H new ATOM 0 HG22 ILE A 24 -10.534 -6.984 -7.315 1.00 0.51 H new ATOM 0 HG23 ILE A 24 -9.842 -6.068 -8.675 1.00 0.51 H new ATOM 0 HD11 ILE A 24 -12.557 -2.879 -9.511 1.00 0.58 H new ATOM 0 HD12 ILE A 24 -13.311 -3.821 -8.204 1.00 0.58 H new ATOM 0 HD13 ILE A 24 -11.558 -3.518 -8.184 1.00 0.58 H new ATOM 352 N GLU A 25 -12.463 -9.201 -7.860 1.00 0.44 N ATOM 353 CA GLU A 25 -12.133 -10.357 -7.054 1.00 0.49 C ATOM 354 C GLU A 25 -11.875 -11.575 -7.938 1.00 0.54 C ATOM 355 O GLU A 25 -10.897 -12.282 -7.715 1.00 0.54 O ATOM 356 CB GLU A 25 -13.225 -10.611 -6.009 1.00 0.63 C ATOM 357 CG GLU A 25 -13.586 -9.365 -5.184 1.00 0.72 C ATOM 358 CD GLU A 25 -12.399 -8.471 -4.846 1.00 2.42 C ATOM 359 OE1 GLU A 25 -11.480 -8.985 -4.178 1.00 3.22 O ATOM 360 OE2 GLU A 25 -12.430 -7.300 -5.282 1.00 3.65 O ATOM 0 H GLU A 25 -13.350 -8.760 -7.618 1.00 0.44 H new ATOM 0 HA GLU A 25 -11.209 -10.160 -6.510 1.00 0.49 H new ATOM 0 HB2 GLU A 25 -14.120 -10.976 -6.512 1.00 0.63 H new ATOM 0 HB3 GLU A 25 -12.894 -11.401 -5.334 1.00 0.63 H new ATOM 0 HG2 GLU A 25 -14.322 -8.779 -5.735 1.00 0.72 H new ATOM 0 HG3 GLU A 25 -14.062 -9.683 -4.256 1.00 0.72 H new ATOM 367 N LYS A 26 -12.707 -11.810 -8.960 1.00 0.64 N ATOM 368 CA LYS A 26 -12.488 -12.891 -9.904 1.00 0.75 C ATOM 369 C LYS A 26 -11.143 -12.717 -10.624 1.00 0.69 C ATOM 370 O LYS A 26 -10.340 -13.649 -10.685 1.00 0.75 O ATOM 371 CB LYS A 26 -13.660 -13.004 -10.894 1.00 0.94 C ATOM 372 CG LYS A 26 -13.623 -14.401 -11.522 1.00 1.06 C ATOM 373 CD LYS A 26 -14.332 -14.512 -12.879 1.00 1.61 C ATOM 374 CE LYS A 26 -15.840 -14.221 -12.789 1.00 1.58 C ATOM 375 NZ LYS A 26 -16.644 -15.181 -13.577 1.00 2.02 N ATOM 0 H LYS A 26 -13.542 -11.256 -9.147 1.00 0.64 H new ATOM 0 HA LYS A 26 -12.444 -13.829 -9.351 1.00 0.75 H new ATOM 0 HB2 LYS A 26 -14.608 -12.843 -10.381 1.00 0.94 H new ATOM 0 HB3 LYS A 26 -13.581 -12.238 -11.666 1.00 0.94 H new ATOM 0 HG2 LYS A 26 -12.583 -14.702 -11.645 1.00 1.06 H new ATOM 0 HG3 LYS A 26 -14.080 -15.108 -10.830 1.00 1.06 H new ATOM 0 HD2 LYS A 26 -13.874 -13.816 -13.581 1.00 1.61 H new ATOM 0 HD3 LYS A 26 -14.183 -15.514 -13.281 1.00 1.61 H new ATOM 0 HE2 LYS A 26 -16.153 -14.258 -11.746 1.00 1.58 H new ATOM 0 HE3 LYS A 26 -16.035 -13.209 -13.145 1.00 1.58 H new ATOM 0 HZ1 LYS A 26 -17.653 -14.946 -13.486 1.00 2.02 H new ATOM 0 HZ2 LYS A 26 -16.365 -15.129 -14.577 1.00 2.02 H new ATOM 0 HZ3 LYS A 26 -16.480 -16.145 -13.222 1.00 2.02 H new ATOM 389 N GLY A 27 -10.908 -11.533 -11.193 1.00 0.65 N ATOM 390 CA GLY A 27 -9.689 -11.225 -11.923 1.00 0.66 C ATOM 391 C GLY A 27 -8.450 -11.443 -11.057 1.00 0.59 C ATOM 392 O GLY A 27 -7.447 -11.985 -11.514 1.00 0.64 O ATOM 0 H GLY A 27 -11.569 -10.757 -11.156 1.00 0.65 H new ATOM 0 HA2 GLY A 27 -9.628 -11.852 -12.813 1.00 0.66 H new ATOM 0 HA3 GLY A 27 -9.719 -10.190 -12.264 1.00 0.66 H new ATOM 396 N LEU A 28 -8.514 -11.017 -9.798 1.00 0.50 N ATOM 397 CA LEU A 28 -7.430 -11.162 -8.845 1.00 0.46 C ATOM 398 C LEU A 28 -7.273 -12.636 -8.450 1.00 0.48 C ATOM 399 O LEU A 28 -6.149 -13.131 -8.428 1.00 0.48 O ATOM 400 CB LEU A 28 -7.634 -10.196 -7.661 1.00 0.47 C ATOM 401 CG LEU A 28 -7.102 -8.765 -7.925 1.00 0.55 C ATOM 402 CD1 LEU A 28 -5.570 -8.753 -7.945 1.00 1.38 C ATOM 403 CD2 LEU A 28 -7.638 -8.106 -9.199 1.00 1.60 C ATOM 0 H LEU A 28 -9.336 -10.555 -9.410 1.00 0.50 H new ATOM 0 HA LEU A 28 -6.480 -10.876 -9.296 1.00 0.46 H new ATOM 0 HB2 LEU A 28 -8.697 -10.141 -7.427 1.00 0.47 H new ATOM 0 HB3 LEU A 28 -7.135 -10.603 -6.782 1.00 0.47 H new ATOM 0 HG LEU A 28 -7.479 -8.168 -7.095 1.00 0.55 H new ATOM 0 HD11 LEU A 28 -5.216 -7.739 -8.132 1.00 1.38 H new ATOM 0 HD12 LEU A 28 -5.191 -9.098 -6.983 1.00 1.38 H new ATOM 0 HD13 LEU A 28 -5.211 -9.413 -8.734 1.00 1.38 H new ATOM 0 HD21 LEU A 28 -7.211 -7.108 -9.300 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -7.361 -8.708 -10.064 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -8.724 -8.032 -9.141 1.00 1.60 H new ATOM 415 N LYS A 29 -8.371 -13.371 -8.228 1.00 0.53 N ATOM 416 CA LYS A 29 -8.331 -14.812 -7.960 1.00 0.60 C ATOM 417 C LYS A 29 -7.597 -15.592 -9.065 1.00 0.65 C ATOM 418 O LYS A 29 -7.158 -16.715 -8.836 1.00 0.71 O ATOM 419 CB LYS A 29 -9.746 -15.396 -7.746 1.00 0.69 C ATOM 420 CG LYS A 29 -9.882 -16.171 -6.423 1.00 0.83 C ATOM 421 CD LYS A 29 -10.209 -15.289 -5.201 1.00 0.95 C ATOM 422 CE LYS A 29 -11.692 -14.867 -5.172 1.00 1.31 C ATOM 423 NZ LYS A 29 -12.124 -14.304 -3.868 1.00 2.19 N ATOM 0 H LYS A 29 -9.313 -12.981 -8.230 1.00 0.53 H new ATOM 0 HA LYS A 29 -7.766 -14.931 -7.035 1.00 0.60 H new ATOM 0 HB2 LYS A 29 -10.474 -14.585 -7.762 1.00 0.69 H new ATOM 0 HB3 LYS A 29 -9.989 -16.059 -8.576 1.00 0.69 H new ATOM 0 HG2 LYS A 29 -10.664 -16.922 -6.534 1.00 0.83 H new ATOM 0 HG3 LYS A 29 -8.952 -16.706 -6.232 1.00 0.83 H new ATOM 0 HD2 LYS A 29 -9.969 -15.833 -4.287 1.00 0.95 H new ATOM 0 HD3 LYS A 29 -9.579 -14.399 -5.217 1.00 0.95 H new ATOM 0 HE2 LYS A 29 -11.866 -14.127 -5.953 1.00 1.31 H new ATOM 0 HE3 LYS A 29 -12.312 -15.732 -5.408 1.00 1.31 H new ATOM 0 HZ1 LYS A 29 -13.155 -14.403 -3.771 1.00 2.19 H new ATOM 0 HZ2 LYS A 29 -11.653 -14.817 -3.095 1.00 2.19 H new ATOM 0 HZ3 LYS A 29 -11.867 -13.297 -3.822 1.00 2.19 H new ATOM 437 N ARG A 30 -7.478 -15.024 -10.271 1.00 0.66 N ATOM 438 CA ARG A 30 -6.700 -15.609 -11.355 1.00 0.72 C ATOM 439 C ARG A 30 -5.220 -15.785 -10.970 1.00 0.68 C ATOM 440 O ARG A 30 -4.546 -16.648 -11.529 1.00 0.76 O ATOM 441 CB ARG A 30 -6.835 -14.711 -12.595 1.00 0.77 C ATOM 442 CG ARG A 30 -6.588 -15.411 -13.940 1.00 0.96 C ATOM 443 CD ARG A 30 -7.876 -15.927 -14.602 1.00 1.27 C ATOM 444 NE ARG A 30 -8.375 -17.163 -13.979 1.00 2.43 N ATOM 445 CZ ARG A 30 -9.478 -17.821 -14.373 1.00 3.29 C ATOM 446 NH1 ARG A 30 -10.257 -17.299 -15.328 1.00 3.19 N ATOM 447 NH2 ARG A 30 -9.794 -18.998 -13.821 1.00 4.98 N ATOM 0 H ARG A 30 -7.924 -14.140 -10.518 1.00 0.66 H new ATOM 0 HA ARG A 30 -7.088 -16.605 -11.569 1.00 0.72 H new ATOM 0 HB2 ARG A 30 -7.837 -14.282 -12.606 1.00 0.77 H new ATOM 0 HB3 ARG A 30 -6.134 -13.882 -12.501 1.00 0.77 H new ATOM 0 HG2 ARG A 30 -6.092 -14.716 -14.618 1.00 0.96 H new ATOM 0 HG3 ARG A 30 -5.906 -16.247 -13.787 1.00 0.96 H new ATOM 0 HD2 ARG A 30 -8.645 -15.157 -14.541 1.00 1.27 H new ATOM 0 HD3 ARG A 30 -7.689 -16.108 -15.661 1.00 1.27 H new ATOM 0 HE ARG A 30 -7.848 -17.546 -13.195 1.00 2.43 H new ATOM 0 HH11 ARG A 30 -10.012 -16.405 -15.754 1.00 3.19 H new ATOM 0 HH12 ARG A 30 -11.095 -17.795 -15.630 1.00 3.19 H new ATOM 0 HH21 ARG A 30 -9.197 -19.399 -13.098 1.00 4.98 H new ATOM 0 HH22 ARG A 30 -10.632 -19.494 -14.123 1.00 4.98 H new ATOM 461 N MET A 31 -4.692 -14.938 -10.078 1.00 0.58 N ATOM 462 CA MET A 31 -3.285 -14.952 -9.684 1.00 0.56 C ATOM 463 C MET A 31 -3.017 -16.084 -8.682 1.00 0.55 C ATOM 464 O MET A 31 -3.894 -16.404 -7.885 1.00 0.61 O ATOM 465 CB MET A 31 -2.925 -13.604 -9.047 1.00 0.51 C ATOM 466 CG MET A 31 -3.102 -12.399 -9.982 1.00 0.68 C ATOM 467 SD MET A 31 -1.590 -11.759 -10.755 1.00 1.04 S ATOM 468 CE MET A 31 -1.177 -13.076 -11.919 1.00 1.52 C ATOM 0 H MET A 31 -5.239 -14.217 -9.607 1.00 0.58 H new ATOM 0 HA MET A 31 -2.671 -15.120 -10.569 1.00 0.56 H new ATOM 0 HB2 MET A 31 -3.543 -13.457 -8.162 1.00 0.51 H new ATOM 0 HB3 MET A 31 -1.889 -13.639 -8.710 1.00 0.51 H new ATOM 0 HG2 MET A 31 -3.800 -12.677 -10.772 1.00 0.68 H new ATOM 0 HG3 MET A 31 -3.566 -11.591 -9.416 1.00 0.68 H new ATOM 0 HE1 MET A 31 -0.484 -12.695 -12.669 1.00 1.52 H new ATOM 0 HE2 MET A 31 -0.713 -13.903 -11.382 1.00 1.52 H new ATOM 0 HE3 MET A 31 -2.085 -13.426 -12.410 1.00 1.52 H new ATOM 478 N PRO A 32 -1.811 -16.675 -8.682 1.00 0.60 N ATOM 479 CA PRO A 32 -1.489 -17.804 -7.824 1.00 0.61 C ATOM 480 C PRO A 32 -1.357 -17.390 -6.356 1.00 0.65 C ATOM 481 O PRO A 32 -1.871 -18.084 -5.484 1.00 1.18 O ATOM 482 CB PRO A 32 -0.184 -18.384 -8.376 1.00 0.75 C ATOM 483 CG PRO A 32 0.492 -17.182 -9.034 1.00 0.82 C ATOM 484 CD PRO A 32 -0.688 -16.357 -9.551 1.00 0.72 C ATOM 0 HA PRO A 32 -2.287 -18.547 -7.833 1.00 0.61 H new ATOM 0 HB2 PRO A 32 0.433 -18.808 -7.584 1.00 0.75 H new ATOM 0 HB3 PRO A 32 -0.372 -19.182 -9.095 1.00 0.75 H new ATOM 0 HG2 PRO A 32 1.095 -16.619 -8.321 1.00 0.82 H new ATOM 0 HG3 PRO A 32 1.156 -17.486 -9.843 1.00 0.82 H new ATOM 0 HD2 PRO A 32 -0.462 -15.291 -9.522 1.00 0.72 H new ATOM 0 HD3 PRO A 32 -0.914 -16.606 -10.588 1.00 0.72 H new ATOM 492 N GLY A 33 -0.672 -16.278 -6.060 1.00 0.53 N ATOM 493 CA GLY A 33 -0.394 -15.890 -4.695 1.00 0.48 C ATOM 494 C GLY A 33 -1.629 -15.343 -4.000 1.00 0.44 C ATOM 495 O GLY A 33 -1.609 -15.222 -2.781 1.00 0.48 O ATOM 0 H GLY A 33 -0.303 -15.636 -6.761 1.00 0.53 H new ATOM 0 HA2 GLY A 33 -0.017 -16.751 -4.142 1.00 0.48 H new ATOM 0 HA3 GLY A 33 0.393 -15.136 -4.685 1.00 0.48 H new ATOM 499 N VAL A 34 -2.672 -14.967 -4.753 1.00 0.45 N ATOM 500 CA VAL A 34 -3.934 -14.511 -4.194 1.00 0.44 C ATOM 501 C VAL A 34 -4.582 -15.661 -3.431 1.00 0.51 C ATOM 502 O VAL A 34 -5.139 -16.577 -4.030 1.00 0.76 O ATOM 503 CB VAL A 34 -4.828 -13.892 -5.285 1.00 0.53 C ATOM 504 CG1 VAL A 34 -6.268 -13.674 -4.799 1.00 1.36 C ATOM 505 CG2 VAL A 34 -4.246 -12.527 -5.682 1.00 1.21 C ATOM 0 H VAL A 34 -2.655 -14.974 -5.773 1.00 0.45 H new ATOM 0 HA VAL A 34 -3.768 -13.706 -3.478 1.00 0.44 H new ATOM 0 HB VAL A 34 -4.852 -14.583 -6.127 1.00 0.53 H new ATOM 0 HG11 VAL A 34 -6.861 -13.236 -5.602 1.00 1.36 H new ATOM 0 HG12 VAL A 34 -6.702 -14.630 -4.508 1.00 1.36 H new ATOM 0 HG13 VAL A 34 -6.265 -13.001 -3.942 1.00 1.36 H new ATOM 0 HG21 VAL A 34 -4.869 -12.076 -6.454 1.00 1.21 H new ATOM 0 HG22 VAL A 34 -4.221 -11.874 -4.809 1.00 1.21 H new ATOM 0 HG23 VAL A 34 -3.234 -12.660 -6.064 1.00 1.21 H new ATOM 515 N THR A 35 -4.525 -15.584 -2.102 1.00 0.40 N ATOM 516 CA THR A 35 -5.101 -16.587 -1.232 1.00 0.48 C ATOM 517 C THR A 35 -6.589 -16.290 -1.082 1.00 0.50 C ATOM 518 O THR A 35 -7.412 -17.192 -1.226 1.00 0.59 O ATOM 519 CB THR A 35 -4.354 -16.627 0.107 1.00 0.55 C ATOM 520 OG1 THR A 35 -3.060 -17.143 -0.130 1.00 0.74 O ATOM 521 CG2 THR A 35 -5.023 -17.562 1.118 1.00 0.70 C ATOM 0 H THR A 35 -4.074 -14.817 -1.604 1.00 0.40 H new ATOM 0 HA THR A 35 -4.996 -17.584 -1.660 1.00 0.48 H new ATOM 0 HB THR A 35 -4.345 -15.615 0.512 1.00 0.55 H new ATOM 0 HG1 THR A 35 -2.401 -16.614 0.367 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.457 -17.556 2.049 1.00 0.70 H new ATOM 0 HG22 THR A 35 -6.041 -17.222 1.310 1.00 0.70 H new ATOM 0 HG23 THR A 35 -5.048 -18.575 0.716 1.00 0.70 H new ATOM 529 N ASP A 36 -6.940 -15.023 -0.830 1.00 0.47 N ATOM 530 CA ASP A 36 -8.333 -14.602 -0.772 1.00 0.55 C ATOM 531 C ASP A 36 -8.447 -13.136 -1.186 1.00 0.51 C ATOM 532 O ASP A 36 -7.797 -12.280 -0.601 1.00 0.80 O ATOM 533 CB ASP A 36 -8.897 -14.831 0.634 1.00 0.68 C ATOM 534 CG ASP A 36 -10.393 -14.542 0.694 1.00 0.94 C ATOM 535 OD1 ASP A 36 -10.943 -14.069 -0.330 1.00 1.68 O ATOM 536 OD2 ASP A 36 -10.978 -14.812 1.760 1.00 1.71 O ATOM 0 H ASP A 36 -6.270 -14.273 -0.663 1.00 0.47 H new ATOM 0 HA ASP A 36 -8.922 -15.200 -1.468 1.00 0.55 H new ATOM 0 HB2 ASP A 36 -8.713 -15.862 0.937 1.00 0.68 H new ATOM 0 HB3 ASP A 36 -8.374 -14.192 1.345 1.00 0.68 H new ATOM 541 N ALA A 37 -9.254 -12.848 -2.204 1.00 0.57 N ATOM 542 CA ALA A 37 -9.580 -11.497 -2.639 1.00 0.46 C ATOM 543 C ALA A 37 -11.046 -11.219 -2.314 1.00 0.51 C ATOM 544 O ALA A 37 -11.912 -11.888 -2.887 1.00 0.70 O ATOM 545 CB ALA A 37 -9.303 -11.375 -4.140 1.00 0.52 C ATOM 0 H ALA A 37 -9.710 -13.569 -2.763 1.00 0.57 H new ATOM 0 HA ALA A 37 -8.966 -10.761 -2.121 1.00 0.46 H new ATOM 0 HB1 ALA A 37 -9.545 -10.366 -4.474 1.00 0.52 H new ATOM 0 HB2 ALA A 37 -8.250 -11.579 -4.333 1.00 0.52 H new ATOM 0 HB3 ALA A 37 -9.917 -12.094 -4.683 1.00 0.52 H new ATOM 551 N ASN A 38 -11.319 -10.297 -1.386 1.00 0.46 N ATOM 552 CA ASN A 38 -12.654 -9.814 -1.056 1.00 0.57 C ATOM 553 C ASN A 38 -12.702 -8.284 -1.051 1.00 0.38 C ATOM 554 O ASN A 38 -11.675 -7.613 -1.131 1.00 0.37 O ATOM 555 CB ASN A 38 -13.071 -10.384 0.306 1.00 0.92 C ATOM 556 CG ASN A 38 -13.883 -11.653 0.112 1.00 1.92 C ATOM 557 OD1 ASN A 38 -15.109 -11.599 0.085 1.00 3.25 O ATOM 558 ND2 ASN A 38 -13.239 -12.798 -0.060 1.00 1.88 N ATOM 0 H ASN A 38 -10.589 -9.854 -0.828 1.00 0.46 H new ATOM 0 HA ASN A 38 -13.356 -10.154 -1.817 1.00 0.57 H new ATOM 0 HB2 ASN A 38 -12.187 -10.597 0.907 1.00 0.92 H new ATOM 0 HB3 ASN A 38 -13.658 -9.647 0.853 1.00 0.92 H new ATOM 0 HD21 ASN A 38 -13.763 -13.659 -0.219 1.00 1.88 H new ATOM 0 HD22 ASN A 38 -12.220 -12.819 -0.034 1.00 1.88 H new ATOM 565 N VAL A 39 -13.909 -7.714 -0.940 1.00 0.43 N ATOM 566 CA VAL A 39 -14.112 -6.273 -0.950 1.00 0.44 C ATOM 567 C VAL A 39 -15.338 -5.888 -0.123 1.00 0.61 C ATOM 568 O VAL A 39 -16.472 -6.235 -0.449 1.00 0.76 O ATOM 569 CB VAL A 39 -14.134 -5.735 -2.391 1.00 0.58 C ATOM 570 CG1 VAL A 39 -15.116 -6.467 -3.306 1.00 0.85 C ATOM 571 CG2 VAL A 39 -14.432 -4.231 -2.423 1.00 0.67 C ATOM 0 H VAL A 39 -14.772 -8.249 -0.841 1.00 0.43 H new ATOM 0 HA VAL A 39 -13.266 -5.787 -0.464 1.00 0.44 H new ATOM 0 HB VAL A 39 -13.132 -5.920 -2.778 1.00 0.58 H new ATOM 0 HG11 VAL A 39 -15.076 -6.032 -4.305 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -14.847 -7.522 -3.358 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -16.126 -6.369 -2.908 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -14.440 -3.884 -3.456 1.00 0.67 H new ATOM 0 HG22 VAL A 39 -15.405 -4.043 -1.969 1.00 0.67 H new ATOM 0 HG23 VAL A 39 -13.663 -3.696 -1.866 1.00 0.67 H new ATOM 581 N ASN A 40 -15.107 -5.128 0.949 1.00 0.68 N ATOM 582 CA ASN A 40 -16.158 -4.589 1.796 1.00 0.88 C ATOM 583 C ASN A 40 -16.649 -3.295 1.164 1.00 0.96 C ATOM 584 O ASN A 40 -16.308 -2.202 1.623 1.00 1.04 O ATOM 585 CB ASN A 40 -15.651 -4.376 3.230 1.00 1.02 C ATOM 586 CG ASN A 40 -15.899 -5.612 4.084 1.00 1.31 C ATOM 587 OD1 ASN A 40 -15.070 -6.510 4.142 1.00 1.96 O ATOM 588 ND2 ASN A 40 -17.055 -5.668 4.744 1.00 1.65 N ATOM 0 H ASN A 40 -14.168 -4.869 1.253 1.00 0.68 H new ATOM 0 HA ASN A 40 -16.988 -5.292 1.869 1.00 0.88 H new ATOM 0 HB2 ASN A 40 -14.585 -4.149 3.213 1.00 1.02 H new ATOM 0 HB3 ASN A 40 -16.153 -3.516 3.673 1.00 1.02 H new ATOM 0 HD21 ASN A 40 -17.273 -6.479 5.322 1.00 1.65 H new ATOM 0 HD22 ASN A 40 -17.722 -4.899 4.671 1.00 1.65 H new ATOM 595 N LEU A 41 -17.481 -3.434 0.125 1.00 1.01 N ATOM 596 CA LEU A 41 -18.128 -2.312 -0.553 1.00 1.11 C ATOM 597 C LEU A 41 -18.851 -1.400 0.436 1.00 1.23 C ATOM 598 O LEU A 41 -18.895 -0.189 0.251 1.00 1.41 O ATOM 599 CB LEU A 41 -19.028 -2.808 -1.701 1.00 1.22 C ATOM 600 CG LEU A 41 -20.444 -3.256 -1.310 1.00 1.56 C ATOM 601 CD1 LEU A 41 -21.458 -2.116 -1.499 1.00 2.05 C ATOM 602 CD2 LEU A 41 -20.874 -4.448 -2.171 1.00 1.67 C ATOM 0 H LEU A 41 -17.725 -4.342 -0.271 1.00 1.01 H new ATOM 0 HA LEU A 41 -17.356 -1.694 -1.013 1.00 1.11 H new ATOM 0 HB2 LEU A 41 -19.113 -2.010 -2.438 1.00 1.22 H new ATOM 0 HB3 LEU A 41 -18.528 -3.643 -2.191 1.00 1.22 H new ATOM 0 HG LEU A 41 -20.424 -3.542 -0.258 1.00 1.56 H new ATOM 0 HD11 LEU A 41 -22.452 -2.462 -1.214 1.00 2.05 H new ATOM 0 HD12 LEU A 41 -21.175 -1.270 -0.873 1.00 2.05 H new ATOM 0 HD13 LEU A 41 -21.467 -1.807 -2.544 1.00 2.05 H new ATOM 0 HD21 LEU A 41 -21.879 -4.759 -1.886 1.00 1.67 H new ATOM 0 HD22 LEU A 41 -20.867 -4.159 -3.222 1.00 1.67 H new ATOM 0 HD23 LEU A 41 -20.182 -5.276 -2.018 1.00 1.67 H new ATOM 614 N ALA A 42 -19.344 -1.975 1.534 1.00 1.20 N ATOM 615 CA ALA A 42 -20.040 -1.261 2.590 1.00 1.32 C ATOM 616 C ALA A 42 -19.194 -0.123 3.165 1.00 1.33 C ATOM 617 O ALA A 42 -19.737 0.876 3.625 1.00 1.49 O ATOM 618 CB ALA A 42 -20.444 -2.249 3.690 1.00 1.36 C ATOM 0 H ALA A 42 -19.265 -2.976 1.712 1.00 1.20 H new ATOM 0 HA ALA A 42 -20.934 -0.805 2.164 1.00 1.32 H new ATOM 0 HB1 ALA A 42 -20.967 -1.716 4.484 1.00 1.36 H new ATOM 0 HB2 ALA A 42 -21.101 -3.011 3.271 1.00 1.36 H new ATOM 0 HB3 ALA A 42 -19.552 -2.724 4.098 1.00 1.36 H new ATOM 624 N THR A 43 -17.867 -0.286 3.153 1.00 1.20 N ATOM 625 CA THR A 43 -16.914 0.735 3.566 1.00 1.23 C ATOM 626 C THR A 43 -16.016 1.159 2.398 1.00 1.09 C ATOM 627 O THR A 43 -15.024 1.861 2.613 1.00 1.11 O ATOM 628 CB THR A 43 -16.090 0.170 4.729 1.00 1.25 C ATOM 629 OG1 THR A 43 -15.277 -0.902 4.287 1.00 1.22 O ATOM 630 CG2 THR A 43 -17.018 -0.349 5.830 1.00 1.48 C ATOM 0 H THR A 43 -17.422 -1.152 2.849 1.00 1.20 H new ATOM 0 HA THR A 43 -17.444 1.631 3.890 1.00 1.23 H new ATOM 0 HB THR A 43 -15.462 0.972 5.116 1.00 1.25 H new ATOM 0 HG1 THR A 43 -15.577 -1.197 3.402 1.00 1.22 H new ATOM 0 HG21 THR A 43 -16.422 -0.748 6.651 1.00 1.48 H new ATOM 0 HG22 THR A 43 -17.640 0.468 6.197 1.00 1.48 H new ATOM 0 HG23 THR A 43 -17.655 -1.137 5.428 1.00 1.48 H new ATOM 638 N GLU A 44 -16.338 0.695 1.182 1.00 1.03 N ATOM 639 CA GLU A 44 -15.508 0.816 -0.005 1.00 0.96 C ATOM 640 C GLU A 44 -14.063 0.423 0.311 1.00 0.90 C ATOM 641 O GLU A 44 -13.167 1.272 0.277 1.00 1.28 O ATOM 642 CB GLU A 44 -15.623 2.235 -0.580 1.00 1.07 C ATOM 643 CG GLU A 44 -17.064 2.562 -0.998 1.00 1.36 C ATOM 644 CD GLU A 44 -17.203 3.988 -1.520 1.00 1.58 C ATOM 645 OE1 GLU A 44 -16.228 4.755 -1.363 1.00 2.05 O ATOM 646 OE2 GLU A 44 -18.289 4.287 -2.059 1.00 2.22 O ATOM 0 H GLU A 44 -17.217 0.209 1.001 1.00 1.03 H new ATOM 0 HA GLU A 44 -15.860 0.126 -0.771 1.00 0.96 H new ATOM 0 HB2 GLU A 44 -15.287 2.958 0.164 1.00 1.07 H new ATOM 0 HB3 GLU A 44 -14.963 2.333 -1.442 1.00 1.07 H new ATOM 0 HG2 GLU A 44 -17.384 1.862 -1.769 1.00 1.36 H new ATOM 0 HG3 GLU A 44 -17.728 2.423 -0.145 1.00 1.36 H new ATOM 653 N THR A 45 -13.824 -0.845 0.668 1.00 0.60 N ATOM 654 CA THR A 45 -12.504 -1.307 1.037 1.00 0.56 C ATOM 655 C THR A 45 -12.219 -2.656 0.370 1.00 0.45 C ATOM 656 O THR A 45 -12.729 -3.684 0.821 1.00 0.62 O ATOM 657 CB THR A 45 -12.437 -1.390 2.564 1.00 0.72 C ATOM 658 OG1 THR A 45 -12.878 -0.186 3.159 1.00 0.87 O ATOM 659 CG2 THR A 45 -10.997 -1.640 2.977 1.00 0.77 C ATOM 0 H THR A 45 -14.544 -1.567 0.705 1.00 0.60 H new ATOM 0 HA THR A 45 -11.736 -0.615 0.692 1.00 0.56 H new ATOM 0 HB THR A 45 -13.085 -2.201 2.897 1.00 0.72 H new ATOM 0 HG1 THR A 45 -13.727 -0.342 3.623 1.00 0.87 H new ATOM 0 HG21 THR A 45 -10.936 -1.701 4.064 1.00 0.77 H new ATOM 0 HG22 THR A 45 -10.651 -2.577 2.541 1.00 0.77 H new ATOM 0 HG23 THR A 45 -10.370 -0.822 2.624 1.00 0.77 H new ATOM 667 N VAL A 46 -11.369 -2.670 -0.660 1.00 0.29 N ATOM 668 CA VAL A 46 -10.914 -3.886 -1.307 1.00 0.26 C ATOM 669 C VAL A 46 -9.814 -4.459 -0.422 1.00 0.33 C ATOM 670 O VAL A 46 -8.887 -3.747 -0.044 1.00 0.38 O ATOM 671 CB VAL A 46 -10.470 -3.601 -2.756 1.00 0.25 C ATOM 672 CG1 VAL A 46 -9.264 -2.660 -2.902 1.00 0.39 C ATOM 673 CG2 VAL A 46 -10.145 -4.910 -3.477 1.00 0.47 C ATOM 0 H VAL A 46 -10.977 -1.821 -1.068 1.00 0.29 H new ATOM 0 HA VAL A 46 -11.709 -4.625 -1.407 1.00 0.26 H new ATOM 0 HB VAL A 46 -11.321 -3.087 -3.204 1.00 0.25 H new ATOM 0 HG11 VAL A 46 -9.033 -2.525 -3.959 1.00 0.39 H new ATOM 0 HG12 VAL A 46 -9.500 -1.694 -2.456 1.00 0.39 H new ATOM 0 HG13 VAL A 46 -8.402 -3.092 -2.395 1.00 0.39 H new ATOM 0 HG21 VAL A 46 -9.833 -4.695 -4.499 1.00 0.47 H new ATOM 0 HG22 VAL A 46 -9.340 -5.424 -2.952 1.00 0.47 H new ATOM 0 HG23 VAL A 46 -11.030 -5.545 -3.494 1.00 0.47 H new ATOM 683 N ASN A 47 -9.978 -5.713 -0.007 1.00 0.34 N ATOM 684 CA ASN A 47 -9.141 -6.371 0.977 1.00 0.36 C ATOM 685 C ASN A 47 -8.631 -7.681 0.384 1.00 0.35 C ATOM 686 O ASN A 47 -9.389 -8.638 0.217 1.00 0.37 O ATOM 687 CB ASN A 47 -9.881 -6.538 2.312 1.00 0.44 C ATOM 688 CG ASN A 47 -11.286 -7.132 2.214 1.00 1.89 C ATOM 689 OD1 ASN A 47 -11.492 -8.318 2.438 1.00 3.41 O ATOM 690 ND2 ASN A 47 -12.291 -6.295 1.956 1.00 2.73 N ATOM 0 H ASN A 47 -10.723 -6.313 -0.362 1.00 0.34 H new ATOM 0 HA ASN A 47 -8.273 -5.756 1.214 1.00 0.36 H new ATOM 0 HB2 ASN A 47 -9.281 -7.174 2.963 1.00 0.44 H new ATOM 0 HB3 ASN A 47 -9.950 -5.563 2.794 1.00 0.44 H new ATOM 0 HD21 ASN A 47 -13.251 -6.639 1.943 1.00 2.73 H new ATOM 0 HD22 ASN A 47 -12.100 -5.310 1.772 1.00 2.73 H new ATOM 697 N VAL A 48 -7.347 -7.695 0.011 1.00 0.35 N ATOM 698 CA VAL A 48 -6.735 -8.784 -0.737 1.00 0.33 C ATOM 699 C VAL A 48 -5.635 -9.418 0.113 1.00 0.36 C ATOM 700 O VAL A 48 -4.748 -8.724 0.611 1.00 0.42 O ATOM 701 CB VAL A 48 -6.220 -8.297 -2.107 1.00 0.31 C ATOM 702 CG1 VAL A 48 -6.038 -9.489 -3.056 1.00 0.32 C ATOM 703 CG2 VAL A 48 -7.185 -7.302 -2.767 1.00 0.37 C ATOM 0 H VAL A 48 -6.700 -6.937 0.226 1.00 0.35 H new ATOM 0 HA VAL A 48 -7.482 -9.549 -0.951 1.00 0.33 H new ATOM 0 HB VAL A 48 -5.269 -7.796 -1.926 1.00 0.31 H new ATOM 0 HG11 VAL A 48 -5.674 -9.134 -4.020 1.00 0.32 H new ATOM 0 HG12 VAL A 48 -5.316 -10.186 -2.630 1.00 0.32 H new ATOM 0 HG13 VAL A 48 -6.994 -9.995 -3.193 1.00 0.32 H new ATOM 0 HG21 VAL A 48 -6.781 -6.987 -3.729 1.00 0.37 H new ATOM 0 HG22 VAL A 48 -8.153 -7.780 -2.919 1.00 0.37 H new ATOM 0 HG23 VAL A 48 -7.308 -6.432 -2.122 1.00 0.37 H new ATOM 713 N ILE A 49 -5.714 -10.738 0.277 1.00 0.39 N ATOM 714 CA ILE A 49 -4.850 -11.576 1.086 1.00 0.43 C ATOM 715 C ILE A 49 -4.058 -12.463 0.135 1.00 0.39 C ATOM 716 O ILE A 49 -4.647 -13.207 -0.655 1.00 0.38 O ATOM 717 CB ILE A 49 -5.691 -12.417 2.066 1.00 0.53 C ATOM 718 CG1 ILE A 49 -6.474 -11.475 3.001 1.00 0.60 C ATOM 719 CG2 ILE A 49 -4.820 -13.408 2.864 1.00 0.67 C ATOM 720 CD1 ILE A 49 -7.496 -12.199 3.880 1.00 1.07 C ATOM 0 H ILE A 49 -6.439 -11.283 -0.189 1.00 0.39 H new ATOM 0 HA ILE A 49 -4.169 -10.972 1.685 1.00 0.43 H new ATOM 0 HB ILE A 49 -6.397 -13.019 1.494 1.00 0.53 H new ATOM 0 HG12 ILE A 49 -5.770 -10.942 3.640 1.00 0.60 H new ATOM 0 HG13 ILE A 49 -6.989 -10.726 2.400 1.00 0.60 H new ATOM 0 HG21 ILE A 49 -5.451 -13.981 3.543 1.00 0.67 H new ATOM 0 HG22 ILE A 49 -4.317 -14.087 2.175 1.00 0.67 H new ATOM 0 HG23 ILE A 49 -4.075 -12.857 3.438 1.00 0.67 H new ATOM 0 HD11 ILE A 49 -8.010 -11.475 4.512 1.00 1.07 H new ATOM 0 HD12 ILE A 49 -8.223 -12.709 3.248 1.00 1.07 H new ATOM 0 HD13 ILE A 49 -6.984 -12.929 4.507 1.00 1.07 H new ATOM 732 N TYR A 50 -2.728 -12.363 0.176 1.00 0.42 N ATOM 733 CA TYR A 50 -1.872 -13.038 -0.783 1.00 0.40 C ATOM 734 C TYR A 50 -0.461 -13.219 -0.233 1.00 0.45 C ATOM 735 O TYR A 50 -0.115 -12.603 0.782 1.00 0.50 O ATOM 736 CB TYR A 50 -1.829 -12.214 -2.081 1.00 0.39 C ATOM 737 CG TYR A 50 -1.342 -10.796 -1.894 1.00 0.44 C ATOM 738 CD1 TYR A 50 -2.266 -9.795 -1.553 1.00 1.86 C ATOM 739 CD2 TYR A 50 0.016 -10.473 -2.064 1.00 1.97 C ATOM 740 CE1 TYR A 50 -1.831 -8.480 -1.355 1.00 1.90 C ATOM 741 CE2 TYR A 50 0.449 -9.149 -1.881 1.00 1.97 C ATOM 742 CZ TYR A 50 -0.477 -8.155 -1.528 1.00 0.54 C ATOM 743 OH TYR A 50 -0.045 -6.883 -1.296 1.00 0.60 O ATOM 0 H TYR A 50 -2.223 -11.814 0.872 1.00 0.42 H new ATOM 0 HA TYR A 50 -2.280 -14.029 -0.982 1.00 0.40 H new ATOM 0 HB2 TYR A 50 -1.181 -12.718 -2.798 1.00 0.39 H new ATOM 0 HB3 TYR A 50 -2.828 -12.190 -2.517 1.00 0.39 H new ATOM 0 HD1 TYR A 50 -3.312 -10.040 -1.444 1.00 1.86 H new ATOM 0 HD2 TYR A 50 0.725 -11.241 -2.335 1.00 1.97 H new ATOM 0 HE1 TYR A 50 -2.538 -7.715 -1.069 1.00 1.90 H new ATOM 0 HE2 TYR A 50 1.491 -8.897 -2.012 1.00 1.97 H new ATOM 0 HH TYR A 50 -0.815 -6.278 -1.255 1.00 0.60 H new ATOM 753 N ASP A 51 0.355 -14.011 -0.943 1.00 0.47 N ATOM 754 CA ASP A 51 1.738 -14.265 -0.548 1.00 0.54 C ATOM 755 C ASP A 51 2.640 -13.184 -1.157 1.00 0.52 C ATOM 756 O ASP A 51 2.584 -12.977 -2.375 1.00 0.51 O ATOM 757 CB ASP A 51 2.168 -15.653 -1.033 1.00 0.65 C ATOM 758 CG ASP A 51 3.376 -16.170 -0.275 1.00 0.94 C ATOM 759 OD1 ASP A 51 4.461 -15.603 -0.500 1.00 2.01 O ATOM 760 OD2 ASP A 51 3.201 -17.131 0.517 1.00 1.64 O ATOM 0 H ASP A 51 0.073 -14.488 -1.800 1.00 0.47 H new ATOM 0 HA ASP A 51 1.824 -14.235 0.538 1.00 0.54 H new ATOM 0 HB2 ASP A 51 1.339 -16.351 -0.915 1.00 0.65 H new ATOM 0 HB3 ASP A 51 2.399 -15.610 -2.097 1.00 0.65 H new ATOM 765 N PRO A 52 3.471 -12.470 -0.379 1.00 0.58 N ATOM 766 CA PRO A 52 4.265 -11.343 -0.858 1.00 0.62 C ATOM 767 C PRO A 52 5.515 -11.801 -1.627 1.00 0.69 C ATOM 768 O PRO A 52 6.590 -11.222 -1.477 1.00 0.78 O ATOM 769 CB PRO A 52 4.635 -10.574 0.416 1.00 0.72 C ATOM 770 CG PRO A 52 4.781 -11.691 1.449 1.00 0.80 C ATOM 771 CD PRO A 52 3.661 -12.651 1.048 1.00 0.70 C ATOM 0 HA PRO A 52 3.714 -10.729 -1.570 1.00 0.62 H new ATOM 0 HB2 PRO A 52 5.560 -10.010 0.295 1.00 0.72 H new ATOM 0 HB3 PRO A 52 3.861 -9.860 0.698 1.00 0.72 H new ATOM 0 HG2 PRO A 52 5.761 -12.166 1.400 1.00 0.80 H new ATOM 0 HG3 PRO A 52 4.656 -11.323 2.467 1.00 0.80 H new ATOM 0 HD2 PRO A 52 3.930 -13.682 1.278 1.00 0.70 H new ATOM 0 HD3 PRO A 52 2.744 -12.431 1.595 1.00 0.70 H new ATOM 779 N ALA A 53 5.361 -12.815 -2.474 1.00 0.73 N ATOM 780 CA ALA A 53 6.419 -13.395 -3.292 1.00 0.88 C ATOM 781 C ALA A 53 5.805 -13.943 -4.574 1.00 1.09 C ATOM 782 O ALA A 53 6.286 -13.682 -5.674 1.00 2.24 O ATOM 783 CB ALA A 53 7.133 -14.500 -2.506 1.00 0.99 C ATOM 0 H ALA A 53 4.460 -13.272 -2.614 1.00 0.73 H new ATOM 0 HA ALA A 53 7.157 -12.635 -3.551 1.00 0.88 H new ATOM 0 HB1 ALA A 53 7.923 -14.931 -3.121 1.00 0.99 H new ATOM 0 HB2 ALA A 53 7.567 -14.079 -1.599 1.00 0.99 H new ATOM 0 HB3 ALA A 53 6.417 -15.277 -2.238 1.00 0.99 H new ATOM 789 N GLU A 54 4.715 -14.691 -4.418 1.00 0.77 N ATOM 790 CA GLU A 54 4.027 -15.392 -5.477 1.00 1.00 C ATOM 791 C GLU A 54 3.214 -14.432 -6.347 1.00 1.19 C ATOM 792 O GLU A 54 2.739 -14.822 -7.413 1.00 1.91 O ATOM 793 CB GLU A 54 3.134 -16.429 -4.798 1.00 1.14 C ATOM 794 CG GLU A 54 3.989 -17.372 -3.917 1.00 1.19 C ATOM 795 CD GLU A 54 3.204 -18.485 -3.237 1.00 1.94 C ATOM 796 OE1 GLU A 54 2.000 -18.613 -3.536 1.00 2.16 O ATOM 797 OE2 GLU A 54 3.837 -19.187 -2.414 1.00 3.40 O ATOM 0 H GLU A 54 4.276 -14.825 -3.507 1.00 0.77 H new ATOM 0 HA GLU A 54 4.736 -15.873 -6.151 1.00 1.00 H new ATOM 0 HB2 GLU A 54 2.383 -15.929 -4.186 1.00 1.14 H new ATOM 0 HB3 GLU A 54 2.599 -17.008 -5.551 1.00 1.14 H new ATOM 0 HG2 GLU A 54 4.768 -17.819 -4.535 1.00 1.19 H new ATOM 0 HG3 GLU A 54 4.490 -16.779 -3.152 1.00 1.19 H new ATOM 804 N THR A 55 2.982 -13.192 -5.900 1.00 0.69 N ATOM 805 CA THR A 55 2.237 -12.213 -6.634 1.00 0.63 C ATOM 806 C THR A 55 2.843 -10.829 -6.356 1.00 0.74 C ATOM 807 O THR A 55 3.650 -10.354 -7.150 1.00 0.86 O ATOM 808 CB THR A 55 0.778 -12.416 -6.233 1.00 0.52 C ATOM 809 OG1 THR A 55 0.294 -13.601 -6.847 1.00 0.53 O ATOM 810 CG2 THR A 55 -0.026 -11.243 -6.730 1.00 0.54 C ATOM 0 H THR A 55 3.321 -12.854 -4.999 1.00 0.69 H new ATOM 0 HA THR A 55 2.284 -12.309 -7.719 1.00 0.63 H new ATOM 0 HB THR A 55 0.692 -12.497 -5.149 1.00 0.52 H new ATOM 0 HG1 THR A 55 1.043 -14.093 -7.244 1.00 0.53 H new ATOM 0 HG21 THR A 55 -1.071 -11.374 -6.451 1.00 0.54 H new ATOM 0 HG22 THR A 55 0.356 -10.325 -6.284 1.00 0.54 H new ATOM 0 HG23 THR A 55 0.055 -11.180 -7.815 1.00 0.54 H new ATOM 818 N GLY A 56 2.495 -10.188 -5.232 1.00 0.74 N ATOM 819 CA GLY A 56 3.114 -8.942 -4.803 1.00 0.87 C ATOM 820 C GLY A 56 2.163 -7.763 -4.993 1.00 0.72 C ATOM 821 O GLY A 56 1.530 -7.639 -6.037 1.00 0.70 O ATOM 0 H GLY A 56 1.772 -10.527 -4.597 1.00 0.74 H new ATOM 0 HA2 GLY A 56 3.401 -9.017 -3.754 1.00 0.87 H new ATOM 0 HA3 GLY A 56 4.028 -8.771 -5.372 1.00 0.87 H new ATOM 825 N THR A 57 2.082 -6.896 -3.976 1.00 0.66 N ATOM 826 CA THR A 57 1.247 -5.685 -3.921 1.00 0.60 C ATOM 827 C THR A 57 1.107 -4.986 -5.271 1.00 0.59 C ATOM 828 O THR A 57 0.004 -4.683 -5.727 1.00 0.57 O ATOM 829 CB THR A 57 1.751 -4.713 -2.835 1.00 0.62 C ATOM 830 OG1 THR A 57 0.961 -3.546 -2.771 1.00 0.87 O ATOM 831 CG2 THR A 57 3.220 -4.330 -2.987 1.00 0.73 C ATOM 0 H THR A 57 2.626 -7.026 -3.123 1.00 0.66 H new ATOM 0 HA THR A 57 0.245 -6.017 -3.649 1.00 0.60 H new ATOM 0 HB THR A 57 1.657 -5.265 -1.900 1.00 0.62 H new ATOM 0 HG1 THR A 57 1.543 -2.758 -2.739 1.00 0.87 H new ATOM 0 HG21 THR A 57 3.502 -3.645 -2.188 1.00 0.73 H new ATOM 0 HG22 THR A 57 3.837 -5.227 -2.931 1.00 0.73 H new ATOM 0 HG23 THR A 57 3.372 -3.845 -3.951 1.00 0.73 H new ATOM 839 N ALA A 58 2.242 -4.763 -5.928 1.00 0.66 N ATOM 840 CA ALA A 58 2.279 -4.003 -7.164 1.00 0.69 C ATOM 841 C ALA A 58 1.486 -4.734 -8.246 1.00 0.68 C ATOM 842 O ALA A 58 0.792 -4.102 -9.035 1.00 0.67 O ATOM 843 CB ALA A 58 3.732 -3.767 -7.580 1.00 0.78 C ATOM 0 H ALA A 58 3.152 -5.103 -5.618 1.00 0.66 H new ATOM 0 HA ALA A 58 1.813 -3.029 -7.016 1.00 0.69 H new ATOM 0 HB1 ALA A 58 3.757 -3.196 -8.508 1.00 0.78 H new ATOM 0 HB2 ALA A 58 4.249 -3.210 -6.798 1.00 0.78 H new ATOM 0 HB3 ALA A 58 4.228 -4.726 -7.731 1.00 0.78 H new ATOM 849 N ALA A 59 1.537 -6.067 -8.270 1.00 0.70 N ATOM 850 CA ALA A 59 0.747 -6.833 -9.215 1.00 0.71 C ATOM 851 C ALA A 59 -0.738 -6.772 -8.866 1.00 0.62 C ATOM 852 O ALA A 59 -1.588 -6.770 -9.756 1.00 0.63 O ATOM 853 CB ALA A 59 1.217 -8.274 -9.228 1.00 0.78 C ATOM 0 H ALA A 59 2.116 -6.629 -7.646 1.00 0.70 H new ATOM 0 HA ALA A 59 0.881 -6.398 -10.205 1.00 0.71 H new ATOM 0 HB1 ALA A 59 0.620 -8.845 -9.939 1.00 0.78 H new ATOM 0 HB2 ALA A 59 2.266 -8.312 -9.521 1.00 0.78 H new ATOM 0 HB3 ALA A 59 1.103 -8.703 -8.232 1.00 0.78 H new ATOM 859 N ILE A 60 -1.058 -6.747 -7.568 1.00 0.57 N ATOM 860 CA ILE A 60 -2.438 -6.624 -7.117 1.00 0.51 C ATOM 861 C ILE A 60 -2.994 -5.317 -7.689 1.00 0.48 C ATOM 862 O ILE A 60 -3.977 -5.314 -8.435 1.00 0.46 O ATOM 863 CB ILE A 60 -2.561 -6.634 -5.576 1.00 0.55 C ATOM 864 CG1 ILE A 60 -1.717 -7.681 -4.839 1.00 0.80 C ATOM 865 CG2 ILE A 60 -4.019 -6.793 -5.146 1.00 0.42 C ATOM 866 CD1 ILE A 60 -2.226 -9.116 -4.924 1.00 0.59 C ATOM 0 H ILE A 60 -0.374 -6.811 -6.814 1.00 0.57 H new ATOM 0 HA ILE A 60 -3.007 -7.484 -7.471 1.00 0.51 H new ATOM 0 HB ILE A 60 -2.158 -5.664 -5.284 1.00 0.55 H new ATOM 0 HG12 ILE A 60 -0.703 -7.650 -5.237 1.00 0.80 H new ATOM 0 HG13 ILE A 60 -1.656 -7.398 -3.788 1.00 0.80 H new ATOM 0 HG21 ILE A 60 -4.079 -6.797 -4.058 1.00 0.42 H new ATOM 0 HG22 ILE A 60 -4.607 -5.963 -5.539 1.00 0.42 H new ATOM 0 HG23 ILE A 60 -4.413 -7.732 -5.535 1.00 0.42 H new ATOM 0 HD11 ILE A 60 -1.556 -9.773 -4.369 1.00 0.59 H new ATOM 0 HD12 ILE A 60 -3.227 -9.173 -4.496 1.00 0.59 H new ATOM 0 HD13 ILE A 60 -2.259 -9.429 -5.968 1.00 0.59 H new ATOM 878 N GLN A 61 -2.329 -4.204 -7.359 1.00 0.53 N ATOM 879 CA GLN A 61 -2.780 -2.888 -7.782 1.00 0.57 C ATOM 880 C GLN A 61 -2.762 -2.792 -9.310 1.00 0.61 C ATOM 881 O GLN A 61 -3.721 -2.289 -9.896 1.00 0.62 O ATOM 882 CB GLN A 61 -2.053 -1.772 -7.005 1.00 0.68 C ATOM 883 CG GLN A 61 -0.723 -1.266 -7.579 1.00 0.86 C ATOM 884 CD GLN A 61 -0.917 -0.199 -8.644 1.00 1.19 C ATOM 885 OE1 GLN A 61 -0.821 -0.476 -9.832 1.00 2.86 O ATOM 886 NE2 GLN A 61 -1.185 1.029 -8.229 1.00 0.95 N ATOM 0 H GLN A 61 -1.476 -4.196 -6.799 1.00 0.53 H new ATOM 0 HA GLN A 61 -3.825 -2.732 -7.514 1.00 0.57 H new ATOM 0 HB2 GLN A 61 -2.730 -0.922 -6.923 1.00 0.68 H new ATOM 0 HB3 GLN A 61 -1.869 -2.131 -5.993 1.00 0.68 H new ATOM 0 HG2 GLN A 61 -0.113 -0.862 -6.771 1.00 0.86 H new ATOM 0 HG3 GLN A 61 -0.173 -2.105 -8.005 1.00 0.86 H new ATOM 0 HE21 GLN A 61 -1.258 1.225 -7.231 1.00 0.95 H new ATOM 0 HE22 GLN A 61 -1.318 1.779 -8.907 1.00 0.95 H new ATOM 895 N GLU A 62 -1.739 -3.371 -9.958 1.00 0.64 N ATOM 896 CA GLU A 62 -1.681 -3.429 -11.414 1.00 0.69 C ATOM 897 C GLU A 62 -2.968 -4.057 -11.929 1.00 0.65 C ATOM 898 O GLU A 62 -3.569 -3.565 -12.878 1.00 0.68 O ATOM 899 CB GLU A 62 -0.435 -4.234 -11.833 1.00 0.78 C ATOM 900 CG GLU A 62 -0.428 -4.885 -13.228 1.00 1.18 C ATOM 901 CD GLU A 62 -0.139 -3.933 -14.373 1.00 1.51 C ATOM 902 OE1 GLU A 62 -0.542 -2.760 -14.289 1.00 3.05 O ATOM 903 OE2 GLU A 62 0.413 -4.448 -15.371 1.00 2.36 O ATOM 0 H GLU A 62 -0.943 -3.804 -9.489 1.00 0.64 H new ATOM 0 HA GLU A 62 -1.595 -2.432 -11.846 1.00 0.69 H new ATOM 0 HB2 GLU A 62 0.427 -3.570 -11.770 1.00 0.78 H new ATOM 0 HB3 GLU A 62 -0.284 -5.023 -11.096 1.00 0.78 H new ATOM 0 HG2 GLU A 62 0.317 -5.680 -13.239 1.00 1.18 H new ATOM 0 HG3 GLU A 62 -1.397 -5.354 -13.400 1.00 1.18 H new ATOM 910 N LYS A 63 -3.418 -5.158 -11.323 1.00 0.59 N ATOM 911 CA LYS A 63 -4.541 -5.878 -11.856 1.00 0.57 C ATOM 912 C LYS A 63 -5.820 -5.072 -11.659 1.00 0.53 C ATOM 913 O LYS A 63 -6.652 -5.050 -12.559 1.00 0.54 O ATOM 914 CB LYS A 63 -4.601 -7.249 -11.187 1.00 0.57 C ATOM 915 CG LYS A 63 -5.463 -8.240 -11.972 1.00 0.78 C ATOM 916 CD LYS A 63 -4.993 -8.517 -13.410 1.00 1.36 C ATOM 917 CE LYS A 63 -3.478 -8.733 -13.540 1.00 1.41 C ATOM 918 NZ LYS A 63 -2.984 -9.755 -12.599 1.00 2.95 N ATOM 0 H LYS A 63 -3.017 -5.555 -10.473 1.00 0.59 H new ATOM 0 HA LYS A 63 -4.431 -6.029 -12.930 1.00 0.57 H new ATOM 0 HB2 LYS A 63 -3.591 -7.647 -11.089 1.00 0.57 H new ATOM 0 HB3 LYS A 63 -5.001 -7.142 -10.179 1.00 0.57 H new ATOM 0 HG2 LYS A 63 -5.491 -9.184 -11.427 1.00 0.78 H new ATOM 0 HG3 LYS A 63 -6.484 -7.861 -12.007 1.00 0.78 H new ATOM 0 HD2 LYS A 63 -5.509 -9.400 -13.787 1.00 1.36 H new ATOM 0 HD3 LYS A 63 -5.287 -7.681 -14.045 1.00 1.36 H new ATOM 0 HE2 LYS A 63 -3.241 -9.034 -14.560 1.00 1.41 H new ATOM 0 HE3 LYS A 63 -2.960 -7.791 -13.357 1.00 1.41 H new ATOM 0 HZ1 LYS A 63 -2.452 -9.294 -11.834 1.00 2.95 H new ATOM 0 HZ2 LYS A 63 -3.790 -10.274 -12.196 1.00 2.95 H new ATOM 0 HZ3 LYS A 63 -2.362 -10.419 -13.103 1.00 2.95 H new ATOM 932 N ILE A 64 -5.982 -4.401 -10.514 1.00 0.51 N ATOM 933 CA ILE A 64 -7.107 -3.494 -10.328 1.00 0.47 C ATOM 934 C ILE A 64 -7.128 -2.483 -11.475 1.00 0.50 C ATOM 935 O ILE A 64 -8.162 -2.309 -12.123 1.00 0.51 O ATOM 936 CB ILE A 64 -7.051 -2.817 -8.944 1.00 0.43 C ATOM 937 CG1 ILE A 64 -7.209 -3.880 -7.840 1.00 0.42 C ATOM 938 CG2 ILE A 64 -8.172 -1.777 -8.838 1.00 0.40 C ATOM 939 CD1 ILE A 64 -6.938 -3.347 -6.429 1.00 0.57 C ATOM 0 H ILE A 64 -5.354 -4.471 -9.714 1.00 0.51 H new ATOM 0 HA ILE A 64 -8.041 -4.055 -10.351 1.00 0.47 H new ATOM 0 HB ILE A 64 -6.089 -2.319 -8.820 1.00 0.43 H new ATOM 0 HG12 ILE A 64 -8.221 -4.283 -7.878 1.00 0.42 H new ATOM 0 HG13 ILE A 64 -6.528 -4.707 -8.044 1.00 0.42 H new ATOM 0 HG21 ILE A 64 -8.133 -1.298 -7.860 1.00 0.40 H new ATOM 0 HG22 ILE A 64 -8.045 -1.024 -9.616 1.00 0.40 H new ATOM 0 HG23 ILE A 64 -9.137 -2.268 -8.963 1.00 0.40 H new ATOM 0 HD11 ILE A 64 -7.068 -4.151 -5.705 1.00 0.57 H new ATOM 0 HD12 ILE A 64 -5.917 -2.970 -6.372 1.00 0.57 H new ATOM 0 HD13 ILE A 64 -7.636 -2.540 -6.205 1.00 0.57 H new ATOM 951 N GLU A 65 -5.991 -1.844 -11.759 1.00 0.52 N ATOM 952 CA GLU A 65 -5.960 -0.860 -12.831 1.00 0.53 C ATOM 953 C GLU A 65 -6.274 -1.498 -14.185 1.00 0.59 C ATOM 954 O GLU A 65 -7.147 -1.023 -14.911 1.00 0.60 O ATOM 955 CB GLU A 65 -4.672 -0.030 -12.795 1.00 0.60 C ATOM 956 CG GLU A 65 -4.587 0.724 -11.454 1.00 0.61 C ATOM 957 CD GLU A 65 -3.576 1.865 -11.443 1.00 1.01 C ATOM 958 OE1 GLU A 65 -2.969 2.117 -12.507 1.00 1.55 O ATOM 959 OE2 GLU A 65 -3.445 2.477 -10.360 1.00 1.67 O ATOM 0 H GLU A 65 -5.105 -1.987 -11.274 1.00 0.52 H new ATOM 0 HA GLU A 65 -6.761 -0.140 -12.667 1.00 0.53 H new ATOM 0 HB2 GLU A 65 -3.805 -0.679 -12.916 1.00 0.60 H new ATOM 0 HB3 GLU A 65 -4.659 0.677 -13.624 1.00 0.60 H new ATOM 0 HG2 GLU A 65 -5.572 1.123 -11.211 1.00 0.61 H new ATOM 0 HG3 GLU A 65 -4.328 0.016 -10.667 1.00 0.61 H new ATOM 966 N LYS A 66 -5.631 -2.621 -14.506 1.00 0.64 N ATOM 967 CA LYS A 66 -5.866 -3.338 -15.749 1.00 0.72 C ATOM 968 C LYS A 66 -7.295 -3.890 -15.868 1.00 0.74 C ATOM 969 O LYS A 66 -7.779 -4.069 -16.983 1.00 0.87 O ATOM 970 CB LYS A 66 -4.791 -4.405 -15.966 1.00 0.86 C ATOM 971 CG LYS A 66 -3.428 -3.725 -16.176 1.00 1.18 C ATOM 972 CD LYS A 66 -2.456 -4.539 -17.035 1.00 1.35 C ATOM 973 CE LYS A 66 -2.128 -5.922 -16.461 1.00 2.28 C ATOM 974 NZ LYS A 66 -0.738 -6.309 -16.785 1.00 3.02 N ATOM 0 H LYS A 66 -4.931 -3.056 -13.906 1.00 0.64 H new ATOM 0 HA LYS A 66 -5.782 -2.617 -16.562 1.00 0.72 H new ATOM 0 HB2 LYS A 66 -4.747 -5.073 -15.106 1.00 0.86 H new ATOM 0 HB3 LYS A 66 -5.041 -5.017 -16.832 1.00 0.86 H new ATOM 0 HG2 LYS A 66 -3.586 -2.753 -16.644 1.00 1.18 H new ATOM 0 HG3 LYS A 66 -2.971 -3.540 -15.204 1.00 1.18 H new ATOM 0 HD2 LYS A 66 -2.882 -4.661 -18.031 1.00 1.35 H new ATOM 0 HD3 LYS A 66 -1.530 -3.976 -17.151 1.00 1.35 H new ATOM 0 HE2 LYS A 66 -2.265 -5.914 -15.380 1.00 2.28 H new ATOM 0 HE3 LYS A 66 -2.820 -6.662 -16.865 1.00 2.28 H new ATOM 0 HZ1 LYS A 66 -0.527 -7.233 -16.358 1.00 3.02 H new ATOM 0 HZ2 LYS A 66 -0.626 -6.371 -17.817 1.00 3.02 H new ATOM 0 HZ3 LYS A 66 -0.082 -5.595 -16.408 1.00 3.02 H new ATOM 988 N LEU A 67 -7.999 -4.131 -14.755 1.00 0.65 N ATOM 989 CA LEU A 67 -9.416 -4.472 -14.775 1.00 0.66 C ATOM 990 C LEU A 67 -10.293 -3.265 -15.134 1.00 0.66 C ATOM 991 O LEU A 67 -11.495 -3.435 -15.327 1.00 0.72 O ATOM 992 CB LEU A 67 -9.790 -5.094 -13.419 1.00 0.63 C ATOM 993 CG LEU A 67 -9.631 -6.623 -13.316 1.00 0.81 C ATOM 994 CD1 LEU A 67 -10.972 -7.307 -13.613 1.00 1.49 C ATOM 995 CD2 LEU A 67 -8.545 -7.254 -14.200 1.00 2.59 C ATOM 0 H LEU A 67 -7.597 -4.094 -13.818 1.00 0.65 H new ATOM 0 HA LEU A 67 -9.603 -5.204 -15.561 1.00 0.66 H new ATOM 0 HB2 LEU A 67 -9.176 -4.631 -12.647 1.00 0.63 H new ATOM 0 HB3 LEU A 67 -10.826 -4.840 -13.197 1.00 0.63 H new ATOM 0 HG LEU A 67 -9.300 -6.790 -12.291 1.00 0.81 H new ATOM 0 HD11 LEU A 67 -10.853 -8.388 -13.539 1.00 1.49 H new ATOM 0 HD12 LEU A 67 -11.718 -6.973 -12.892 1.00 1.49 H new ATOM 0 HD13 LEU A 67 -11.298 -7.046 -14.620 1.00 1.49 H new ATOM 0 HD21 LEU A 67 -8.528 -8.332 -14.041 1.00 2.59 H new ATOM 0 HD22 LEU A 67 -8.762 -7.045 -15.248 1.00 2.59 H new ATOM 0 HD23 LEU A 67 -7.574 -6.833 -13.939 1.00 2.59 H new ATOM 1007 N GLY A 68 -9.714 -2.066 -15.259 1.00 0.63 N ATOM 1008 CA GLY A 68 -10.411 -0.864 -15.687 1.00 0.64 C ATOM 1009 C GLY A 68 -10.967 -0.108 -14.486 1.00 0.58 C ATOM 1010 O GLY A 68 -12.107 0.350 -14.512 1.00 0.66 O ATOM 0 H GLY A 68 -8.726 -1.908 -15.059 1.00 0.63 H new ATOM 0 HA2 GLY A 68 -9.729 -0.221 -16.244 1.00 0.64 H new ATOM 0 HA3 GLY A 68 -11.223 -1.130 -16.364 1.00 0.64 H new ATOM 1014 N TYR A 69 -10.153 0.019 -13.434 1.00 0.52 N ATOM 1015 CA TYR A 69 -10.490 0.740 -12.212 1.00 0.49 C ATOM 1016 C TYR A 69 -9.338 1.659 -11.817 1.00 0.47 C ATOM 1017 O TYR A 69 -8.323 1.711 -12.505 1.00 0.51 O ATOM 1018 CB TYR A 69 -10.834 -0.253 -11.098 1.00 0.48 C ATOM 1019 CG TYR A 69 -12.036 -1.107 -11.426 1.00 0.53 C ATOM 1020 CD1 TYR A 69 -11.865 -2.323 -12.109 1.00 1.97 C ATOM 1021 CD2 TYR A 69 -13.332 -0.629 -11.160 1.00 1.63 C ATOM 1022 CE1 TYR A 69 -12.986 -3.060 -12.524 1.00 2.07 C ATOM 1023 CE2 TYR A 69 -14.452 -1.376 -11.557 1.00 1.65 C ATOM 1024 CZ TYR A 69 -14.276 -2.582 -12.254 1.00 0.86 C ATOM 1025 OH TYR A 69 -15.357 -3.287 -12.690 1.00 1.08 O ATOM 0 H TYR A 69 -9.218 -0.389 -13.412 1.00 0.52 H new ATOM 0 HA TYR A 69 -11.368 1.363 -12.383 1.00 0.49 H new ATOM 0 HB2 TYR A 69 -9.975 -0.898 -10.914 1.00 0.48 H new ATOM 0 HB3 TYR A 69 -11.024 0.295 -10.175 1.00 0.48 H new ATOM 0 HD1 TYR A 69 -10.871 -2.691 -12.315 1.00 1.97 H new ATOM 0 HD2 TYR A 69 -13.465 0.314 -10.650 1.00 1.63 H new ATOM 0 HE1 TYR A 69 -12.855 -3.994 -13.050 1.00 2.07 H new ATOM 0 HE2 TYR A 69 -15.447 -1.024 -11.327 1.00 1.65 H new ATOM 0 HH TYR A 69 -16.176 -2.884 -12.333 1.00 1.08 H new ATOM 1035 N HIS A 70 -9.515 2.414 -10.730 1.00 0.43 N ATOM 1036 CA HIS A 70 -8.508 3.324 -10.212 1.00 0.42 C ATOM 1037 C HIS A 70 -8.547 3.229 -8.688 1.00 0.40 C ATOM 1038 O HIS A 70 -9.627 3.317 -8.093 1.00 0.53 O ATOM 1039 CB HIS A 70 -8.818 4.749 -10.706 1.00 0.46 C ATOM 1040 CG HIS A 70 -7.621 5.566 -11.127 1.00 0.88 C ATOM 1041 ND1 HIS A 70 -7.597 6.440 -12.192 1.00 1.86 N ATOM 1042 CD2 HIS A 70 -6.392 5.622 -10.521 1.00 2.30 C ATOM 1043 CE1 HIS A 70 -6.380 7.005 -12.228 1.00 2.04 C ATOM 1044 NE2 HIS A 70 -5.613 6.544 -11.228 1.00 2.49 N ATOM 0 H HIS A 70 -10.376 2.405 -10.182 1.00 0.43 H new ATOM 0 HA HIS A 70 -7.508 3.066 -10.560 1.00 0.42 H new ATOM 0 HB2 HIS A 70 -9.504 4.681 -11.550 1.00 0.46 H new ATOM 0 HB3 HIS A 70 -9.340 5.284 -9.913 1.00 0.46 H new ATOM 0 HD2 HIS A 70 -6.082 5.057 -9.655 1.00 2.30 H new ATOM 0 HE1 HIS A 70 -6.062 7.731 -12.961 1.00 2.04 H new ATOM 0 HE2 HIS A 70 -4.651 6.813 -11.024 1.00 2.49 H new ATOM 1052 N VAL A 71 -7.387 3.019 -8.065 1.00 0.41 N ATOM 1053 CA VAL A 71 -7.253 2.963 -6.620 1.00 0.39 C ATOM 1054 C VAL A 71 -7.095 4.384 -6.080 1.00 0.44 C ATOM 1055 O VAL A 71 -6.346 5.184 -6.635 1.00 0.54 O ATOM 1056 CB VAL A 71 -6.092 2.033 -6.224 1.00 0.42 C ATOM 1057 CG1 VAL A 71 -6.417 0.583 -6.604 1.00 0.50 C ATOM 1058 CG2 VAL A 71 -4.739 2.419 -6.842 1.00 0.50 C ATOM 0 H VAL A 71 -6.507 2.882 -8.561 1.00 0.41 H new ATOM 0 HA VAL A 71 -8.149 2.536 -6.170 1.00 0.39 H new ATOM 0 HB VAL A 71 -5.990 2.140 -5.144 1.00 0.42 H new ATOM 0 HG11 VAL A 71 -5.587 -0.063 -6.318 1.00 0.50 H new ATOM 0 HG12 VAL A 71 -7.321 0.264 -6.084 1.00 0.50 H new ATOM 0 HG13 VAL A 71 -6.575 0.516 -7.680 1.00 0.50 H new ATOM 0 HG21 VAL A 71 -3.975 1.715 -6.514 1.00 0.50 H new ATOM 0 HG22 VAL A 71 -4.814 2.392 -7.929 1.00 0.50 H new ATOM 0 HG23 VAL A 71 -4.467 3.425 -6.522 1.00 0.50 H new ATOM 1068 N VAL A 72 -7.787 4.713 -4.986 1.00 0.48 N ATOM 1069 CA VAL A 72 -7.742 6.049 -4.406 1.00 0.58 C ATOM 1070 C VAL A 72 -6.509 6.118 -3.505 1.00 0.55 C ATOM 1071 O VAL A 72 -6.604 6.212 -2.284 1.00 0.79 O ATOM 1072 CB VAL A 72 -9.079 6.349 -3.703 1.00 0.78 C ATOM 1073 CG1 VAL A 72 -9.126 7.762 -3.106 1.00 0.91 C ATOM 1074 CG2 VAL A 72 -10.211 6.243 -4.733 1.00 1.00 C ATOM 0 H VAL A 72 -8.390 4.062 -4.483 1.00 0.48 H new ATOM 0 HA VAL A 72 -7.635 6.833 -5.156 1.00 0.58 H new ATOM 0 HB VAL A 72 -9.188 5.628 -2.892 1.00 0.78 H new ATOM 0 HG11 VAL A 72 -10.090 7.921 -2.623 1.00 0.91 H new ATOM 0 HG12 VAL A 72 -8.329 7.873 -2.371 1.00 0.91 H new ATOM 0 HG13 VAL A 72 -8.993 8.497 -3.900 1.00 0.91 H new ATOM 0 HG21 VAL A 72 -11.165 6.453 -4.249 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -10.044 6.964 -5.533 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -10.230 5.236 -5.150 1.00 1.00 H new ATOM 1084 N THR A 73 -5.341 6.018 -4.139 1.00 0.50 N ATOM 1085 CA THR A 73 -4.046 5.904 -3.488 1.00 0.52 C ATOM 1086 C THR A 73 -3.164 7.036 -4.008 1.00 0.58 C ATOM 1087 O THR A 73 -3.146 7.263 -5.215 1.00 0.68 O ATOM 1088 CB THR A 73 -3.443 4.532 -3.821 1.00 0.56 C ATOM 1089 OG1 THR A 73 -4.423 3.522 -3.715 1.00 0.62 O ATOM 1090 CG2 THR A 73 -2.353 4.165 -2.822 1.00 0.76 C ATOM 0 H THR A 73 -5.273 6.014 -5.157 1.00 0.50 H new ATOM 0 HA THR A 73 -4.132 5.983 -2.404 1.00 0.52 H new ATOM 0 HB THR A 73 -3.046 4.599 -4.834 1.00 0.56 H new ATOM 0 HG1 THR A 73 -4.173 2.897 -3.003 1.00 0.62 H new ATOM 0 HG21 THR A 73 -1.940 3.189 -3.077 1.00 0.76 H new ATOM 0 HG22 THR A 73 -1.562 4.914 -2.855 1.00 0.76 H new ATOM 0 HG23 THR A 73 -2.777 4.129 -1.818 1.00 0.76 H new ATOM 1098 N GLU A 74 -2.453 7.736 -3.120 1.00 0.59 N ATOM 1099 CA GLU A 74 -1.639 8.889 -3.481 1.00 0.66 C ATOM 1100 C GLU A 74 -0.193 8.626 -3.090 1.00 0.56 C ATOM 1101 O GLU A 74 0.063 8.066 -2.022 1.00 0.53 O ATOM 1102 CB GLU A 74 -2.153 10.147 -2.770 1.00 0.78 C ATOM 1103 CG GLU A 74 -3.350 10.760 -3.510 1.00 1.47 C ATOM 1104 CD GLU A 74 -2.940 11.394 -4.838 1.00 2.58 C ATOM 1105 OE1 GLU A 74 -1.938 12.142 -4.824 1.00 2.99 O ATOM 1106 OE2 GLU A 74 -3.630 11.118 -5.842 1.00 3.71 O ATOM 0 H GLU A 74 -2.429 7.513 -2.125 1.00 0.59 H new ATOM 0 HA GLU A 74 -1.702 9.049 -4.557 1.00 0.66 H new ATOM 0 HB2 GLU A 74 -2.444 9.897 -1.750 1.00 0.78 H new ATOM 0 HB3 GLU A 74 -1.351 10.882 -2.702 1.00 0.78 H new ATOM 0 HG2 GLU A 74 -4.097 9.988 -3.693 1.00 1.47 H new ATOM 0 HG3 GLU A 74 -3.819 11.514 -2.878 1.00 1.47 H new ATOM 1113 N LYS A 75 0.729 9.069 -3.951 1.00 0.58 N ATOM 1114 CA LYS A 75 2.154 9.099 -3.681 1.00 0.57 C ATOM 1115 C LYS A 75 2.420 10.381 -2.898 1.00 0.57 C ATOM 1116 O LYS A 75 2.382 11.477 -3.450 1.00 0.84 O ATOM 1117 CB LYS A 75 2.960 8.931 -4.989 1.00 0.73 C ATOM 1118 CG LYS A 75 3.384 10.226 -5.680 1.00 1.27 C ATOM 1119 CD LYS A 75 4.056 9.945 -7.027 1.00 1.60 C ATOM 1120 CE LYS A 75 4.831 11.175 -7.527 1.00 2.82 C ATOM 1121 NZ LYS A 75 4.175 12.451 -7.170 1.00 3.54 N ATOM 0 H LYS A 75 0.489 9.424 -4.877 1.00 0.58 H new ATOM 0 HA LYS A 75 2.491 8.262 -3.070 1.00 0.57 H new ATOM 0 HB2 LYS A 75 3.855 8.349 -4.770 1.00 0.73 H new ATOM 0 HB3 LYS A 75 2.363 8.347 -5.689 1.00 0.73 H new ATOM 0 HG2 LYS A 75 2.512 10.862 -5.832 1.00 1.27 H new ATOM 0 HG3 LYS A 75 4.071 10.776 -5.036 1.00 1.27 H new ATOM 0 HD2 LYS A 75 4.736 9.099 -6.928 1.00 1.60 H new ATOM 0 HD3 LYS A 75 3.301 9.664 -7.762 1.00 1.60 H new ATOM 0 HE2 LYS A 75 5.837 11.160 -7.108 1.00 2.82 H new ATOM 0 HE3 LYS A 75 4.936 11.117 -8.610 1.00 2.82 H new ATOM 0 HZ1 LYS A 75 4.562 13.217 -7.758 1.00 3.54 H new ATOM 0 HZ2 LYS A 75 3.151 12.372 -7.333 1.00 3.54 H new ATOM 0 HZ3 LYS A 75 4.350 12.663 -6.167 1.00 3.54 H new ATOM 1135 N ALA A 76 2.621 10.242 -1.593 1.00 0.53 N ATOM 1136 CA ALA A 76 2.972 11.364 -0.734 1.00 0.55 C ATOM 1137 C ALA A 76 4.479 11.361 -0.482 1.00 0.52 C ATOM 1138 O ALA A 76 5.024 10.369 0.000 1.00 0.92 O ATOM 1139 CB ALA A 76 2.179 11.279 0.568 1.00 0.60 C ATOM 0 H ALA A 76 2.545 9.351 -1.103 1.00 0.53 H new ATOM 0 HA ALA A 76 2.715 12.305 -1.220 1.00 0.55 H new ATOM 0 HB1 ALA A 76 2.443 12.119 1.210 1.00 0.60 H new ATOM 0 HB2 ALA A 76 1.112 11.312 0.347 1.00 0.60 H new ATOM 0 HB3 ALA A 76 2.415 10.345 1.078 1.00 0.60 H new ATOM 1145 N GLU A 77 5.168 12.455 -0.804 1.00 0.52 N ATOM 1146 CA GLU A 77 6.607 12.565 -0.658 1.00 0.58 C ATOM 1147 C GLU A 77 6.966 12.959 0.787 1.00 0.50 C ATOM 1148 O GLU A 77 6.955 14.135 1.159 1.00 0.68 O ATOM 1149 CB GLU A 77 7.146 13.567 -1.695 1.00 0.75 C ATOM 1150 CG GLU A 77 6.917 13.132 -3.161 1.00 1.19 C ATOM 1151 CD GLU A 77 5.507 13.362 -3.703 1.00 3.38 C ATOM 1152 OE1 GLU A 77 4.674 13.910 -2.951 1.00 4.92 O ATOM 1153 OE2 GLU A 77 5.288 12.988 -4.880 1.00 4.19 O ATOM 0 H GLU A 77 4.731 13.297 -1.178 1.00 0.52 H new ATOM 0 HA GLU A 77 7.081 11.602 -0.848 1.00 0.58 H new ATOM 0 HB2 GLU A 77 6.669 14.534 -1.534 1.00 0.75 H new ATOM 0 HB3 GLU A 77 8.214 13.707 -1.530 1.00 0.75 H new ATOM 0 HG2 GLU A 77 7.623 13.668 -3.795 1.00 1.19 H new ATOM 0 HG3 GLU A 77 7.152 12.071 -3.248 1.00 1.19 H new ATOM 1160 N PHE A 78 7.298 11.957 1.603 1.00 0.58 N ATOM 1161 CA PHE A 78 7.742 12.131 2.977 1.00 0.59 C ATOM 1162 C PHE A 78 9.261 12.317 3.019 1.00 0.53 C ATOM 1163 O PHE A 78 9.982 11.913 2.107 1.00 0.67 O ATOM 1164 CB PHE A 78 7.273 10.961 3.852 1.00 0.67 C ATOM 1165 CG PHE A 78 5.854 11.080 4.387 1.00 0.57 C ATOM 1166 CD1 PHE A 78 4.762 11.197 3.507 1.00 1.61 C ATOM 1167 CD2 PHE A 78 5.617 11.012 5.773 1.00 1.81 C ATOM 1168 CE1 PHE A 78 3.450 11.206 4.006 1.00 1.53 C ATOM 1169 CE2 PHE A 78 4.304 10.986 6.272 1.00 2.13 C ATOM 1170 CZ PHE A 78 3.222 11.087 5.385 1.00 1.16 C ATOM 0 H PHE A 78 7.263 10.979 1.314 1.00 0.58 H new ATOM 0 HA PHE A 78 7.290 13.033 3.389 1.00 0.59 H new ATOM 0 HB2 PHE A 78 7.350 10.041 3.272 1.00 0.67 H new ATOM 0 HB3 PHE A 78 7.955 10.863 4.696 1.00 0.67 H new ATOM 0 HD1 PHE A 78 4.934 11.280 2.444 1.00 1.61 H new ATOM 0 HD2 PHE A 78 6.451 10.980 6.458 1.00 1.81 H new ATOM 0 HE1 PHE A 78 2.615 11.305 3.328 1.00 1.53 H new ATOM 0 HE2 PHE A 78 4.129 10.889 7.333 1.00 2.13 H new ATOM 0 HZ PHE A 78 2.211 11.073 5.765 1.00 1.16 H new ATOM 1180 N ASP A 79 9.725 12.954 4.090 1.00 0.61 N ATOM 1181 CA ASP A 79 11.110 13.290 4.387 1.00 0.59 C ATOM 1182 C ASP A 79 11.529 12.496 5.634 1.00 0.57 C ATOM 1183 O ASP A 79 10.662 12.105 6.416 1.00 0.71 O ATOM 1184 CB ASP A 79 11.164 14.811 4.553 1.00 0.75 C ATOM 1185 CG ASP A 79 12.545 15.332 4.910 1.00 0.83 C ATOM 1186 OD1 ASP A 79 12.910 15.184 6.095 1.00 1.62 O ATOM 1187 OD2 ASP A 79 13.171 15.907 3.995 1.00 1.51 O ATOM 0 H ASP A 79 9.094 13.271 4.826 1.00 0.61 H new ATOM 0 HA ASP A 79 11.816 13.020 3.602 1.00 0.59 H new ATOM 0 HB2 ASP A 79 10.835 15.282 3.627 1.00 0.75 H new ATOM 0 HB3 ASP A 79 10.460 15.109 5.330 1.00 0.75 H new ATOM 1192 N ILE A 80 12.810 12.148 5.787 1.00 0.50 N ATOM 1193 CA ILE A 80 13.298 11.269 6.848 1.00 0.43 C ATOM 1194 C ILE A 80 14.463 11.963 7.555 1.00 0.50 C ATOM 1195 O ILE A 80 15.349 12.459 6.866 1.00 0.73 O ATOM 1196 CB ILE A 80 13.782 9.949 6.230 1.00 0.40 C ATOM 1197 CG1 ILE A 80 12.765 9.346 5.245 1.00 0.40 C ATOM 1198 CG2 ILE A 80 14.077 8.947 7.355 1.00 0.51 C ATOM 1199 CD1 ILE A 80 13.479 8.419 4.276 1.00 0.51 C ATOM 0 H ILE A 80 13.548 12.476 5.165 1.00 0.50 H new ATOM 0 HA ILE A 80 12.501 11.059 7.562 1.00 0.43 H new ATOM 0 HB ILE A 80 14.686 10.162 5.659 1.00 0.40 H new ATOM 0 HG12 ILE A 80 11.998 8.797 5.790 1.00 0.40 H new ATOM 0 HG13 ILE A 80 12.259 10.141 4.697 1.00 0.40 H new ATOM 0 HG21 ILE A 80 14.421 8.007 6.924 1.00 0.51 H new ATOM 0 HG22 ILE A 80 14.850 9.351 8.009 1.00 0.51 H new ATOM 0 HG23 ILE A 80 13.169 8.771 7.932 1.00 0.51 H new ATOM 0 HD11 ILE A 80 12.756 7.994 3.580 1.00 0.51 H new ATOM 0 HD12 ILE A 80 14.230 8.981 3.721 1.00 0.51 H new ATOM 0 HD13 ILE A 80 13.964 7.616 4.831 1.00 0.51 H new ATOM 1211 N GLU A 81 14.521 11.969 8.899 1.00 0.47 N ATOM 1212 CA GLU A 81 15.598 12.671 9.595 1.00 0.61 C ATOM 1213 C GLU A 81 16.125 11.767 10.714 1.00 0.79 C ATOM 1214 O GLU A 81 16.233 12.146 11.878 1.00 1.49 O ATOM 1215 CB GLU A 81 15.026 14.014 10.051 1.00 0.90 C ATOM 1216 CG GLU A 81 16.065 15.056 10.501 1.00 1.42 C ATOM 1217 CD GLU A 81 15.445 16.202 11.302 1.00 1.48 C ATOM 1218 OE1 GLU A 81 14.268 16.534 11.045 1.00 1.85 O ATOM 1219 OE2 GLU A 81 16.103 16.622 12.284 1.00 2.56 O ATOM 0 H GLU A 81 13.847 11.505 9.508 1.00 0.47 H new ATOM 0 HA GLU A 81 16.465 12.888 8.971 1.00 0.61 H new ATOM 0 HB2 GLU A 81 14.443 14.437 9.233 1.00 0.90 H new ATOM 0 HB3 GLU A 81 14.336 13.835 10.875 1.00 0.90 H new ATOM 0 HG2 GLU A 81 16.826 14.565 11.107 1.00 1.42 H new ATOM 0 HG3 GLU A 81 16.569 15.462 9.624 1.00 1.42 H new ATOM 1226 N GLY A 82 16.406 10.521 10.335 1.00 0.95 N ATOM 1227 CA GLY A 82 16.799 9.446 11.241 1.00 1.17 C ATOM 1228 C GLY A 82 17.922 8.570 10.690 1.00 1.08 C ATOM 1229 O GLY A 82 18.895 8.316 11.396 1.00 1.47 O ATOM 0 H GLY A 82 16.365 10.224 9.360 1.00 0.95 H new ATOM 0 HA2 GLY A 82 17.117 9.878 12.190 1.00 1.17 H new ATOM 0 HA3 GLY A 82 15.931 8.822 11.451 1.00 1.17 H new ATOM 1233 N MET A 83 17.783 8.067 9.456 1.00 0.89 N ATOM 1234 CA MET A 83 18.842 7.324 8.807 1.00 0.94 C ATOM 1235 C MET A 83 20.127 8.141 8.690 1.00 1.14 C ATOM 1236 O MET A 83 20.154 9.342 8.940 1.00 1.98 O ATOM 1237 CB MET A 83 18.351 6.814 7.442 1.00 1.15 C ATOM 1238 CG MET A 83 18.334 7.907 6.368 1.00 1.23 C ATOM 1239 SD MET A 83 16.910 7.849 5.263 1.00 2.19 S ATOM 1240 CE MET A 83 17.741 7.816 3.665 1.00 2.97 C ATOM 0 H MET A 83 16.938 8.169 8.894 1.00 0.89 H new ATOM 0 HA MET A 83 19.094 6.463 9.427 1.00 0.94 H new ATOM 0 HB2 MET A 83 18.994 5.998 7.112 1.00 1.15 H new ATOM 0 HB3 MET A 83 17.347 6.405 7.553 1.00 1.15 H new ATOM 0 HG2 MET A 83 18.358 8.880 6.858 1.00 1.23 H new ATOM 0 HG3 MET A 83 19.243 7.827 5.772 1.00 1.23 H new ATOM 0 HE1 MET A 83 17.063 8.183 2.895 1.00 2.97 H new ATOM 0 HE2 MET A 83 18.626 8.451 3.702 1.00 2.97 H new ATOM 0 HE3 MET A 83 18.038 6.794 3.430 1.00 2.97 H new ATOM 1285 N ALA A 87 21.271 0.702 7.661 1.00 1.23 N ATOM 1286 CA ALA A 87 20.063 0.270 6.970 1.00 0.89 C ATOM 1287 C ALA A 87 18.764 0.810 7.596 1.00 0.77 C ATOM 1288 O ALA A 87 17.759 0.102 7.638 1.00 0.87 O ATOM 1289 CB ALA A 87 20.095 -1.266 6.967 1.00 1.49 C ATOM 0 HA ALA A 87 20.056 0.676 5.958 1.00 0.89 H new ATOM 0 HB1 ALA A 87 19.209 -1.647 6.459 1.00 1.49 H new ATOM 0 HB2 ALA A 87 20.988 -1.610 6.446 1.00 1.49 H new ATOM 0 HB3 ALA A 87 20.110 -1.632 7.994 1.00 1.49 H new ATOM 1295 N CYS A 88 18.737 2.058 8.073 1.00 0.66 N ATOM 1296 CA CYS A 88 17.578 2.639 8.724 1.00 0.57 C ATOM 1297 C CYS A 88 16.504 2.903 7.672 1.00 0.51 C ATOM 1298 O CYS A 88 15.353 2.502 7.828 1.00 0.52 O ATOM 1299 CB CYS A 88 18.012 3.933 9.409 1.00 0.63 C ATOM 1300 SG CYS A 88 19.307 3.643 10.648 1.00 0.77 S ATOM 0 H CYS A 88 19.533 2.694 8.013 1.00 0.66 H new ATOM 0 HA CYS A 88 17.165 1.965 9.474 1.00 0.57 H new ATOM 0 HB2 CYS A 88 18.377 4.635 8.660 1.00 0.63 H new ATOM 0 HB3 CYS A 88 17.150 4.397 9.887 1.00 0.63 H new ATOM 0 HG CYS A 88 18.824 3.851 11.837 1.00 0.77 H new ATOM 1306 N ALA A 89 16.911 3.536 6.568 1.00 0.54 N ATOM 1307 CA ALA A 89 16.065 3.751 5.396 1.00 0.54 C ATOM 1308 C ALA A 89 15.563 2.414 4.848 1.00 0.51 C ATOM 1309 O ALA A 89 14.436 2.288 4.386 1.00 0.51 O ATOM 1310 CB ALA A 89 16.871 4.496 4.329 1.00 0.65 C ATOM 0 H ALA A 89 17.851 3.918 6.464 1.00 0.54 H new ATOM 0 HA ALA A 89 15.198 4.347 5.679 1.00 0.54 H new ATOM 0 HB1 ALA A 89 16.247 4.661 3.451 1.00 0.65 H new ATOM 0 HB2 ALA A 89 17.200 5.457 4.726 1.00 0.65 H new ATOM 0 HB3 ALA A 89 17.741 3.902 4.050 1.00 0.65 H new ATOM 1316 N ASN A 90 16.402 1.385 4.910 1.00 0.59 N ATOM 1317 CA ASN A 90 15.985 0.069 4.442 1.00 0.64 C ATOM 1318 C ASN A 90 14.935 -0.499 5.400 1.00 0.64 C ATOM 1319 O ASN A 90 13.914 -1.027 4.967 1.00 0.69 O ATOM 1320 CB ASN A 90 17.182 -0.868 4.260 1.00 0.76 C ATOM 1321 CG ASN A 90 18.196 -0.357 3.235 1.00 1.03 C ATOM 1322 OD1 ASN A 90 17.938 0.586 2.495 1.00 1.92 O ATOM 1323 ND2 ASN A 90 19.379 -0.962 3.194 1.00 1.38 N ATOM 0 H ASN A 90 17.355 1.434 5.272 1.00 0.59 H new ATOM 0 HA ASN A 90 15.530 0.165 3.456 1.00 0.64 H new ATOM 0 HB2 ASN A 90 17.681 -1.001 5.220 1.00 0.76 H new ATOM 0 HB3 ASN A 90 16.823 -1.849 3.949 1.00 0.76 H new ATOM 0 HD21 ASN A 90 20.092 -0.643 2.538 1.00 1.38 H new ATOM 0 HD22 ASN A 90 19.573 -1.745 3.818 1.00 1.38 H new ATOM 1330 N ARG A 91 15.145 -0.366 6.713 1.00 0.64 N ATOM 1331 CA ARG A 91 14.148 -0.761 7.701 1.00 0.69 C ATOM 1332 C ARG A 91 12.816 -0.044 7.457 1.00 0.63 C ATOM 1333 O ARG A 91 11.782 -0.709 7.355 1.00 0.66 O ATOM 1334 CB ARG A 91 14.664 -0.527 9.130 1.00 0.77 C ATOM 1335 CG ARG A 91 15.470 -1.730 9.636 1.00 0.94 C ATOM 1336 CD ARG A 91 15.960 -1.483 11.068 1.00 1.93 C ATOM 1337 NE ARG A 91 16.553 -2.697 11.653 1.00 2.24 N ATOM 1338 CZ ARG A 91 17.033 -2.792 12.906 1.00 3.35 C ATOM 1339 NH1 ARG A 91 17.012 -1.724 13.713 1.00 4.53 N ATOM 1340 NH2 ARG A 91 17.529 -3.954 13.346 1.00 3.82 N ATOM 0 H ARG A 91 16.002 0.015 7.113 1.00 0.64 H new ATOM 0 HA ARG A 91 13.968 -1.830 7.590 1.00 0.69 H new ATOM 0 HB2 ARG A 91 15.288 0.366 9.152 1.00 0.77 H new ATOM 0 HB3 ARG A 91 13.822 -0.344 9.798 1.00 0.77 H new ATOM 0 HG2 ARG A 91 14.852 -2.628 9.606 1.00 0.94 H new ATOM 0 HG3 ARG A 91 16.322 -1.907 8.979 1.00 0.94 H new ATOM 0 HD2 ARG A 91 16.698 -0.680 11.068 1.00 1.93 H new ATOM 0 HD3 ARG A 91 15.127 -1.150 11.686 1.00 1.93 H new ATOM 0 HE ARG A 91 16.604 -3.528 11.064 1.00 2.24 H new ATOM 0 HH11 ARG A 91 16.632 -0.839 13.378 1.00 4.53 H new ATOM 0 HH12 ARG A 91 17.376 -1.796 14.663 1.00 4.53 H new ATOM 0 HH21 ARG A 91 17.543 -4.768 12.731 1.00 3.82 H new ATOM 0 HH22 ARG A 91 17.893 -4.026 14.296 1.00 3.82 H new ATOM 1354 N ILE A 92 12.821 1.293 7.364 1.00 0.58 N ATOM 1355 CA ILE A 92 11.575 2.006 7.092 1.00 0.55 C ATOM 1356 C ILE A 92 10.977 1.577 5.746 1.00 0.47 C ATOM 1357 O ILE A 92 9.766 1.417 5.676 1.00 0.47 O ATOM 1358 CB ILE A 92 11.655 3.539 7.248 1.00 0.66 C ATOM 1359 CG1 ILE A 92 12.728 4.217 6.416 1.00 1.24 C ATOM 1360 CG2 ILE A 92 11.776 4.006 8.699 1.00 1.76 C ATOM 1361 CD1 ILE A 92 12.192 5.451 5.698 1.00 1.58 C ATOM 0 H ILE A 92 13.647 1.883 7.470 1.00 0.58 H new ATOM 0 HA ILE A 92 10.887 1.704 7.881 1.00 0.55 H new ATOM 0 HB ILE A 92 10.689 3.856 6.854 1.00 0.66 H new ATOM 0 HG12 ILE A 92 13.560 4.503 7.059 1.00 1.24 H new ATOM 0 HG13 ILE A 92 13.120 3.512 5.683 1.00 1.24 H new ATOM 0 HG21 ILE A 92 11.827 5.094 8.728 1.00 1.76 H new ATOM 0 HG22 ILE A 92 10.907 3.669 9.264 1.00 1.76 H new ATOM 0 HG23 ILE A 92 12.680 3.588 9.141 1.00 1.76 H new ATOM 0 HD11 ILE A 92 12.991 5.907 5.113 1.00 1.58 H new ATOM 0 HD12 ILE A 92 11.377 5.161 5.035 1.00 1.58 H new ATOM 0 HD13 ILE A 92 11.824 6.168 6.432 1.00 1.58 H new ATOM 1373 N GLU A 93 11.786 1.337 4.706 1.00 0.47 N ATOM 1374 CA GLU A 93 11.310 0.894 3.407 1.00 0.47 C ATOM 1375 C GLU A 93 10.531 -0.396 3.592 1.00 0.46 C ATOM 1376 O GLU A 93 9.328 -0.456 3.356 1.00 0.47 O ATOM 1377 CB GLU A 93 12.509 0.692 2.460 1.00 0.55 C ATOM 1378 CG GLU A 93 12.077 0.298 1.047 1.00 0.63 C ATOM 1379 CD GLU A 93 12.002 -1.212 0.846 1.00 1.20 C ATOM 1380 OE1 GLU A 93 13.078 -1.843 0.908 1.00 1.93 O ATOM 1381 OE2 GLU A 93 10.880 -1.730 0.656 1.00 2.45 O ATOM 0 H GLU A 93 12.799 1.449 4.752 1.00 0.47 H new ATOM 0 HA GLU A 93 10.654 1.642 2.962 1.00 0.47 H new ATOM 0 HB2 GLU A 93 13.092 1.612 2.415 1.00 0.55 H new ATOM 0 HB3 GLU A 93 13.163 -0.080 2.866 1.00 0.55 H new ATOM 0 HG2 GLU A 93 11.101 0.736 0.836 1.00 0.63 H new ATOM 0 HG3 GLU A 93 12.778 0.720 0.328 1.00 0.63 H new ATOM 1388 N LYS A 94 11.224 -1.425 4.078 1.00 0.50 N ATOM 1389 CA LYS A 94 10.676 -2.762 4.164 1.00 0.56 C ATOM 1390 C LYS A 94 9.471 -2.815 5.107 1.00 0.54 C ATOM 1391 O LYS A 94 8.681 -3.759 5.025 1.00 0.72 O ATOM 1392 CB LYS A 94 11.771 -3.746 4.593 1.00 0.68 C ATOM 1393 CG LYS A 94 12.982 -3.776 3.641 1.00 1.24 C ATOM 1394 CD LYS A 94 12.766 -4.408 2.260 1.00 1.20 C ATOM 1395 CE LYS A 94 12.718 -5.939 2.273 1.00 1.93 C ATOM 1396 NZ LYS A 94 12.931 -6.481 0.915 1.00 3.02 N ATOM 0 H LYS A 94 12.181 -1.347 4.421 1.00 0.50 H new ATOM 0 HA LYS A 94 10.315 -3.054 3.178 1.00 0.56 H new ATOM 0 HB2 LYS A 94 12.113 -3.482 5.594 1.00 0.68 H new ATOM 0 HB3 LYS A 94 11.344 -4.747 4.656 1.00 0.68 H new ATOM 0 HG2 LYS A 94 13.324 -2.751 3.495 1.00 1.24 H new ATOM 0 HG3 LYS A 94 13.790 -4.314 4.137 1.00 1.24 H new ATOM 0 HD2 LYS A 94 11.834 -4.030 1.841 1.00 1.20 H new ATOM 0 HD3 LYS A 94 13.568 -4.086 1.596 1.00 1.20 H new ATOM 0 HE2 LYS A 94 13.482 -6.326 2.948 1.00 1.93 H new ATOM 0 HE3 LYS A 94 11.754 -6.274 2.656 1.00 1.93 H new ATOM 0 HZ1 LYS A 94 12.895 -7.520 0.946 1.00 3.02 H new ATOM 0 HZ2 LYS A 94 12.187 -6.127 0.280 1.00 3.02 H new ATOM 0 HZ3 LYS A 94 13.861 -6.178 0.562 1.00 3.02 H new ATOM 1410 N ARG A 95 9.334 -1.842 6.018 1.00 0.44 N ATOM 1411 CA ARG A 95 8.042 -1.603 6.664 1.00 0.44 C ATOM 1412 C ARG A 95 7.048 -0.928 5.718 1.00 0.45 C ATOM 1413 O ARG A 95 6.119 -1.584 5.249 1.00 0.60 O ATOM 1414 CB ARG A 95 8.193 -0.836 7.990 1.00 0.47 C ATOM 1415 CG ARG A 95 7.937 -1.741 9.206 1.00 1.16 C ATOM 1416 CD ARG A 95 9.102 -2.705 9.458 1.00 1.35 C ATOM 1417 NE ARG A 95 9.045 -3.855 8.544 1.00 2.49 N ATOM 1418 CZ ARG A 95 10.047 -4.707 8.294 1.00 3.81 C ATOM 1419 NH1 ARG A 95 11.210 -4.578 8.939 1.00 4.66 N ATOM 1420 NH2 ARG A 95 9.869 -5.686 7.402 1.00 5.10 N ATOM 0 H ARG A 95 10.086 -1.221 6.318 1.00 0.44 H new ATOM 0 HA ARG A 95 7.626 -2.579 6.913 1.00 0.44 H new ATOM 0 HB2 ARG A 95 9.197 -0.416 8.055 1.00 0.47 H new ATOM 0 HB3 ARG A 95 7.495 0.001 8.007 1.00 0.47 H new ATOM 0 HG2 ARG A 95 7.779 -1.124 10.091 1.00 1.16 H new ATOM 0 HG3 ARG A 95 7.022 -2.311 9.047 1.00 1.16 H new ATOM 0 HD2 ARG A 95 10.048 -2.179 9.327 1.00 1.35 H new ATOM 0 HD3 ARG A 95 9.072 -3.055 10.490 1.00 1.35 H new ATOM 0 HE ARG A 95 8.164 -4.018 8.057 1.00 2.49 H new ATOM 0 HH11 ARG A 95 11.334 -3.830 9.622 1.00 4.66 H new ATOM 0 HH12 ARG A 95 11.973 -5.227 8.749 1.00 4.66 H new ATOM 0 HH21 ARG A 95 8.976 -5.779 6.918 1.00 5.10 H new ATOM 0 HH22 ARG A 95 10.626 -6.340 7.205 1.00 5.10 H new ATOM 1434 N LEU A 96 7.239 0.369 5.450 1.00 0.36 N ATOM 1435 CA LEU A 96 6.285 1.220 4.746 1.00 0.37 C ATOM 1436 C LEU A 96 5.745 0.535 3.495 1.00 0.39 C ATOM 1437 O LEU A 96 4.533 0.500 3.302 1.00 0.47 O ATOM 1438 CB LEU A 96 6.870 2.607 4.457 1.00 0.38 C ATOM 1439 CG LEU A 96 7.143 3.450 5.719 1.00 0.43 C ATOM 1440 CD1 LEU A 96 7.366 4.897 5.279 1.00 1.08 C ATOM 1441 CD2 LEU A 96 6.008 3.436 6.752 1.00 1.60 C ATOM 0 H LEU A 96 8.086 0.865 5.726 1.00 0.36 H new ATOM 0 HA LEU A 96 5.432 1.380 5.405 1.00 0.37 H new ATOM 0 HB2 LEU A 96 7.802 2.489 3.904 1.00 0.38 H new ATOM 0 HB3 LEU A 96 6.182 3.152 3.811 1.00 0.38 H new ATOM 0 HG LEU A 96 8.012 3.009 6.207 1.00 0.43 H new ATOM 0 HD11 LEU A 96 7.562 5.517 6.154 1.00 1.08 H new ATOM 0 HD12 LEU A 96 8.219 4.944 4.602 1.00 1.08 H new ATOM 0 HD13 LEU A 96 6.476 5.263 4.767 1.00 1.08 H new ATOM 0 HD21 LEU A 96 6.285 4.054 7.606 1.00 1.60 H new ATOM 0 HD22 LEU A 96 5.099 3.830 6.299 1.00 1.60 H new ATOM 0 HD23 LEU A 96 5.833 2.413 7.086 1.00 1.60 H new ATOM 1453 N ASN A 97 6.638 -0.070 2.703 1.00 0.48 N ATOM 1454 CA ASN A 97 6.354 -0.858 1.506 1.00 0.64 C ATOM 1455 C ASN A 97 5.067 -1.676 1.647 1.00 0.68 C ATOM 1456 O ASN A 97 4.257 -1.713 0.724 1.00 0.65 O ATOM 1457 CB ASN A 97 7.587 -1.730 1.230 1.00 1.07 C ATOM 1458 CG ASN A 97 7.572 -2.507 -0.083 1.00 1.01 C ATOM 1459 OD1 ASN A 97 6.547 -3.001 -0.537 1.00 1.50 O ATOM 1460 ND2 ASN A 97 8.743 -2.665 -0.690 1.00 1.19 N ATOM 0 H ASN A 97 7.638 -0.017 2.896 1.00 0.48 H new ATOM 0 HA ASN A 97 6.171 -0.203 0.654 1.00 0.64 H new ATOM 0 HB2 ASN A 97 8.470 -1.091 1.242 1.00 1.07 H new ATOM 0 HB3 ASN A 97 7.697 -2.441 2.049 1.00 1.07 H new ATOM 0 HD21 ASN A 97 8.801 -3.207 -1.552 1.00 1.19 H new ATOM 0 HD22 ASN A 97 9.584 -2.245 -0.294 1.00 1.19 H new ATOM 1467 N LYS A 98 4.856 -2.309 2.809 1.00 0.83 N ATOM 1468 CA LYS A 98 3.557 -2.852 3.167 1.00 0.87 C ATOM 1469 C LYS A 98 3.333 -2.757 4.681 1.00 0.90 C ATOM 1470 O LYS A 98 3.558 -3.728 5.402 1.00 1.18 O ATOM 1471 CB LYS A 98 3.351 -4.270 2.603 1.00 0.94 C ATOM 1472 CG LYS A 98 4.504 -5.234 2.932 1.00 1.08 C ATOM 1473 CD LYS A 98 5.548 -5.281 1.807 1.00 2.84 C ATOM 1474 CE LYS A 98 6.924 -5.692 2.338 1.00 4.11 C ATOM 1475 NZ LYS A 98 6.948 -7.090 2.820 1.00 4.31 N ATOM 0 H LYS A 98 5.578 -2.453 3.514 1.00 0.83 H new ATOM 0 HA LYS A 98 2.785 -2.243 2.696 1.00 0.87 H new ATOM 0 HB2 LYS A 98 2.422 -4.679 3.000 1.00 0.94 H new ATOM 0 HB3 LYS A 98 3.236 -4.209 1.521 1.00 0.94 H new ATOM 0 HG2 LYS A 98 4.984 -4.923 3.860 1.00 1.08 H new ATOM 0 HG3 LYS A 98 4.105 -6.234 3.099 1.00 1.08 H new ATOM 0 HD2 LYS A 98 5.227 -5.986 1.040 1.00 2.84 H new ATOM 0 HD3 LYS A 98 5.617 -4.302 1.332 1.00 2.84 H new ATOM 0 HE2 LYS A 98 7.666 -5.570 1.549 1.00 4.11 H new ATOM 0 HE3 LYS A 98 7.211 -5.025 3.151 1.00 4.11 H new ATOM 0 HZ1 LYS A 98 7.900 -7.321 3.169 1.00 4.31 H new ATOM 0 HZ2 LYS A 98 6.260 -7.203 3.591 1.00 4.31 H new ATOM 0 HZ3 LYS A 98 6.701 -7.731 2.039 1.00 4.31 H new ATOM 1489 N ILE A 99 2.853 -1.599 5.146 1.00 0.75 N ATOM 1490 CA ILE A 99 2.078 -1.522 6.385 1.00 0.85 C ATOM 1491 C ILE A 99 0.689 -2.070 6.010 1.00 1.20 C ATOM 1492 O ILE A 99 0.599 -3.222 5.585 1.00 2.26 O ATOM 1493 CB ILE A 99 2.141 -0.084 6.968 1.00 0.81 C ATOM 1494 CG1 ILE A 99 3.598 0.309 7.284 1.00 0.76 C ATOM 1495 CG2 ILE A 99 1.318 0.154 8.246 1.00 0.92 C ATOM 1496 CD1 ILE A 99 4.179 -0.312 8.561 1.00 1.59 C ATOM 0 H ILE A 99 2.989 -0.702 4.681 1.00 0.75 H new ATOM 0 HA ILE A 99 2.462 -2.120 7.211 1.00 0.85 H new ATOM 0 HB ILE A 99 1.701 0.530 6.182 1.00 0.81 H new ATOM 0 HG12 ILE A 99 4.226 0.022 6.441 1.00 0.76 H new ATOM 0 HG13 ILE A 99 3.655 1.394 7.368 1.00 0.76 H new ATOM 0 HG21 ILE A 99 1.434 1.190 8.566 1.00 0.92 H new ATOM 0 HG22 ILE A 99 0.266 -0.048 8.044 1.00 0.92 H new ATOM 0 HG23 ILE A 99 1.670 -0.511 9.035 1.00 0.92 H new ATOM 0 HD11 ILE A 99 5.207 0.025 8.695 1.00 1.59 H new ATOM 0 HD12 ILE A 99 3.582 -0.005 9.419 1.00 1.59 H new ATOM 0 HD13 ILE A 99 4.162 -1.399 8.477 1.00 1.59 H new ATOM 1508 N GLU A 100 -0.363 -1.251 6.049 1.00 0.64 N ATOM 1509 CA GLU A 100 -1.714 -1.687 5.739 1.00 0.73 C ATOM 1510 C GLU A 100 -2.032 -1.255 4.307 1.00 0.68 C ATOM 1511 O GLU A 100 -1.583 -1.892 3.353 1.00 0.95 O ATOM 1512 CB GLU A 100 -2.688 -1.153 6.804 1.00 0.84 C ATOM 1513 CG GLU A 100 -2.662 -1.999 8.090 1.00 1.00 C ATOM 1514 CD GLU A 100 -1.375 -1.874 8.900 1.00 2.79 C ATOM 1515 OE1 GLU A 100 -1.332 -0.961 9.748 1.00 3.32 O ATOM 1516 OE2 GLU A 100 -0.460 -2.695 8.670 1.00 4.60 O ATOM 0 H GLU A 100 -0.296 -0.264 6.298 1.00 0.64 H new ATOM 0 HA GLU A 100 -1.818 -2.771 5.775 1.00 0.73 H new ATOM 0 HB2 GLU A 100 -2.431 -0.121 7.044 1.00 0.84 H new ATOM 0 HB3 GLU A 100 -3.699 -1.144 6.397 1.00 0.84 H new ATOM 0 HG2 GLU A 100 -3.503 -1.708 8.719 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -2.810 -3.046 7.825 1.00 1.00 H new ATOM 1523 N GLY A 101 -2.769 -0.158 4.125 1.00 0.59 N ATOM 1524 CA GLY A 101 -3.231 0.270 2.815 1.00 0.58 C ATOM 1525 C GLY A 101 -2.166 1.052 2.060 1.00 0.55 C ATOM 1526 O GLY A 101 -2.403 2.184 1.640 1.00 0.65 O ATOM 0 H GLY A 101 -3.060 0.456 4.886 1.00 0.59 H new ATOM 0 HA2 GLY A 101 -3.522 -0.603 2.231 1.00 0.58 H new ATOM 0 HA3 GLY A 101 -4.121 0.888 2.929 1.00 0.58 H new ATOM 1530 N VAL A 102 -1.002 0.426 1.882 1.00 0.57 N ATOM 1531 CA VAL A 102 0.133 0.963 1.147 1.00 0.55 C ATOM 1532 C VAL A 102 0.314 0.162 -0.137 1.00 0.57 C ATOM 1533 O VAL A 102 0.425 -1.062 -0.098 1.00 0.63 O ATOM 1534 CB VAL A 102 1.398 0.962 2.021 1.00 0.55 C ATOM 1535 CG1 VAL A 102 2.490 1.768 1.306 1.00 0.52 C ATOM 1536 CG2 VAL A 102 1.126 1.577 3.400 1.00 0.56 C ATOM 0 H VAL A 102 -0.822 -0.503 2.262 1.00 0.57 H new ATOM 0 HA VAL A 102 -0.054 2.003 0.879 1.00 0.55 H new ATOM 0 HB VAL A 102 1.718 -0.069 2.172 1.00 0.55 H new ATOM 0 HG11 VAL A 102 3.394 1.776 1.915 1.00 0.52 H new ATOM 0 HG12 VAL A 102 2.707 1.311 0.341 1.00 0.52 H new ATOM 0 HG13 VAL A 102 2.146 2.791 1.154 1.00 0.52 H new ATOM 0 HG21 VAL A 102 2.041 1.561 3.992 1.00 0.56 H new ATOM 0 HG22 VAL A 102 0.790 2.607 3.279 1.00 0.56 H new ATOM 0 HG23 VAL A 102 0.354 1.001 3.909 1.00 0.56 H new ATOM 1546 N ALA A 103 0.341 0.855 -1.278 1.00 0.57 N ATOM 1547 CA ALA A 103 0.712 0.249 -2.540 1.00 0.60 C ATOM 1548 C ALA A 103 2.206 -0.051 -2.517 1.00 0.54 C ATOM 1549 O ALA A 103 2.606 -1.197 -2.724 1.00 0.56 O ATOM 1550 CB ALA A 103 0.379 1.169 -3.718 1.00 0.74 C ATOM 0 H ALA A 103 0.106 1.845 -1.344 1.00 0.57 H new ATOM 0 HA ALA A 103 0.144 -0.672 -2.671 1.00 0.60 H new ATOM 0 HB1 ALA A 103 0.670 0.686 -4.651 1.00 0.74 H new ATOM 0 HB2 ALA A 103 -0.692 1.370 -3.732 1.00 0.74 H new ATOM 0 HB3 ALA A 103 0.922 2.108 -3.611 1.00 0.74 H new ATOM 1556 N ASN A 104 3.005 1.000 -2.283 1.00 0.53 N ATOM 1557 CA ASN A 104 4.464 0.986 -2.377 1.00 0.54 C ATOM 1558 C ASN A 104 5.038 2.066 -1.466 1.00 0.47 C ATOM 1559 O ASN A 104 4.312 2.942 -0.995 1.00 0.46 O ATOM 1560 CB ASN A 104 4.955 1.299 -3.799 1.00 0.62 C ATOM 1561 CG ASN A 104 4.420 0.362 -4.868 1.00 0.63 C ATOM 1562 OD1 ASN A 104 4.769 -0.815 -4.908 1.00 0.68 O ATOM 1563 ND2 ASN A 104 3.598 0.881 -5.767 1.00 0.72 N ATOM 0 H ASN A 104 2.636 1.912 -2.014 1.00 0.53 H new ATOM 0 HA ASN A 104 4.792 -0.013 -2.091 1.00 0.54 H new ATOM 0 HB2 ASN A 104 4.670 2.320 -4.052 1.00 0.62 H new ATOM 0 HB3 ASN A 104 6.044 1.260 -3.811 1.00 0.62 H new ATOM 0 HD21 ASN A 104 3.235 0.299 -6.522 1.00 0.72 H new ATOM 0 HD22 ASN A 104 3.328 1.863 -5.705 1.00 0.72 H new ATOM 1570 N ALA A 105 6.360 2.042 -1.276 1.00 0.44 N ATOM 1571 CA ALA A 105 7.065 3.087 -0.538 1.00 0.39 C ATOM 1572 C ALA A 105 8.561 3.145 -0.882 1.00 0.42 C ATOM 1573 O ALA A 105 9.387 2.882 -0.010 1.00 0.46 O ATOM 1574 CB ALA A 105 6.853 2.900 0.968 1.00 0.41 C ATOM 0 H ALA A 105 6.966 1.301 -1.628 1.00 0.44 H new ATOM 0 HA ALA A 105 6.642 4.045 -0.842 1.00 0.39 H new ATOM 0 HB1 ALA A 105 7.382 3.684 1.510 1.00 0.41 H new ATOM 0 HB2 ALA A 105 5.789 2.957 1.195 1.00 0.41 H new ATOM 0 HB3 ALA A 105 7.237 1.926 1.271 1.00 0.41 H new ATOM 1580 N PRO A 106 8.944 3.476 -2.125 1.00 0.44 N ATOM 1581 CA PRO A 106 10.345 3.628 -2.487 1.00 0.47 C ATOM 1582 C PRO A 106 11.016 4.741 -1.669 1.00 0.42 C ATOM 1583 O PRO A 106 10.518 5.869 -1.602 1.00 0.42 O ATOM 1584 CB PRO A 106 10.362 3.914 -3.993 1.00 0.53 C ATOM 1585 CG PRO A 106 8.970 4.484 -4.264 1.00 0.49 C ATOM 1586 CD PRO A 106 8.091 3.720 -3.277 1.00 0.52 C ATOM 0 HA PRO A 106 10.919 2.729 -2.263 1.00 0.47 H new ATOM 0 HB2 PRO A 106 11.145 4.624 -4.258 1.00 0.53 H new ATOM 0 HB3 PRO A 106 10.544 3.008 -4.571 1.00 0.53 H new ATOM 0 HG2 PRO A 106 8.933 5.559 -4.090 1.00 0.49 H new ATOM 0 HG3 PRO A 106 8.659 4.317 -5.295 1.00 0.49 H new ATOM 0 HD2 PRO A 106 7.211 4.301 -3.001 1.00 0.52 H new ATOM 0 HD3 PRO A 106 7.733 2.785 -3.709 1.00 0.52 H new ATOM 1594 N VAL A 107 12.154 4.399 -1.055 1.00 0.46 N ATOM 1595 CA VAL A 107 12.975 5.281 -0.239 1.00 0.49 C ATOM 1596 C VAL A 107 14.209 5.692 -1.045 1.00 0.57 C ATOM 1597 O VAL A 107 14.773 4.869 -1.765 1.00 0.72 O ATOM 1598 CB VAL A 107 13.364 4.560 1.067 1.00 0.60 C ATOM 1599 CG1 VAL A 107 14.127 5.494 2.008 1.00 1.87 C ATOM 1600 CG2 VAL A 107 12.127 4.036 1.805 1.00 2.51 C ATOM 0 H VAL A 107 12.539 3.457 -1.120 1.00 0.46 H new ATOM 0 HA VAL A 107 12.422 6.181 0.030 1.00 0.49 H new ATOM 0 HB VAL A 107 14.001 3.723 0.783 1.00 0.60 H new ATOM 0 HG11 VAL A 107 14.388 4.958 2.920 1.00 1.87 H new ATOM 0 HG12 VAL A 107 15.037 5.840 1.518 1.00 1.87 H new ATOM 0 HG13 VAL A 107 13.501 6.351 2.257 1.00 1.87 H new ATOM 0 HG21 VAL A 107 12.436 3.533 2.721 1.00 2.51 H new ATOM 0 HG22 VAL A 107 11.471 4.870 2.053 1.00 2.51 H new ATOM 0 HG23 VAL A 107 11.594 3.332 1.167 1.00 2.51 H new ATOM 1610 N ASN A 108 14.635 6.952 -0.931 1.00 0.55 N ATOM 1611 CA ASN A 108 15.849 7.457 -1.557 1.00 0.70 C ATOM 1612 C ASN A 108 16.978 7.404 -0.543 1.00 0.86 C ATOM 1613 O ASN A 108 16.720 7.405 0.653 1.00 1.91 O ATOM 1614 CB ASN A 108 15.654 8.916 -1.980 1.00 0.75 C ATOM 1615 CG ASN A 108 14.692 9.067 -3.155 1.00 0.91 C ATOM 1616 OD1 ASN A 108 13.509 9.337 -2.979 1.00 1.29 O ATOM 1617 ND2 ASN A 108 15.195 8.917 -4.377 1.00 1.53 N ATOM 0 H ASN A 108 14.134 7.658 -0.391 1.00 0.55 H new ATOM 0 HA ASN A 108 16.081 6.849 -2.432 1.00 0.70 H new ATOM 0 HB2 ASN A 108 15.277 9.488 -1.132 1.00 0.75 H new ATOM 0 HB3 ASN A 108 16.620 9.344 -2.250 1.00 0.75 H new ATOM 0 HD21 ASN A 108 14.593 9.027 -5.193 1.00 1.53 H new ATOM 0 HD22 ASN A 108 16.183 8.692 -4.498 1.00 1.53 H new ATOM 1624 N PHE A 109 18.229 7.415 -1.014 1.00 0.83 N ATOM 1625 CA PHE A 109 19.408 7.443 -0.152 1.00 0.81 C ATOM 1626 C PHE A 109 20.267 8.692 -0.375 1.00 0.95 C ATOM 1627 O PHE A 109 21.357 8.803 0.177 1.00 1.43 O ATOM 1628 CB PHE A 109 20.228 6.169 -0.378 1.00 0.81 C ATOM 1629 CG PHE A 109 20.699 5.545 0.915 1.00 0.97 C ATOM 1630 CD1 PHE A 109 19.799 4.772 1.668 1.00 1.76 C ATOM 1631 CD2 PHE A 109 21.963 5.863 1.444 1.00 2.19 C ATOM 1632 CE1 PHE A 109 20.180 4.276 2.923 1.00 1.85 C ATOM 1633 CE2 PHE A 109 22.341 5.366 2.702 1.00 2.45 C ATOM 1634 CZ PHE A 109 21.456 4.559 3.439 1.00 1.56 C ATOM 0 H PHE A 109 18.450 7.405 -2.010 1.00 0.83 H new ATOM 0 HA PHE A 109 19.069 7.485 0.883 1.00 0.81 H new ATOM 0 HB2 PHE A 109 19.625 5.446 -0.928 1.00 0.81 H new ATOM 0 HB3 PHE A 109 21.092 6.403 -1.000 1.00 0.81 H new ATOM 0 HD1 PHE A 109 18.814 4.560 1.280 1.00 1.76 H new ATOM 0 HD2 PHE A 109 22.642 6.489 0.883 1.00 2.19 H new ATOM 0 HE1 PHE A 109 19.490 3.674 3.495 1.00 1.85 H new ATOM 0 HE2 PHE A 109 23.314 5.604 3.105 1.00 2.45 H new ATOM 0 HZ PHE A 109 21.755 4.159 4.396 1.00 1.56 H new ATOM 1644 N ALA A 110 19.786 9.613 -1.214 1.00 0.76 N ATOM 1645 CA ALA A 110 20.457 10.864 -1.547 1.00 0.94 C ATOM 1646 C ALA A 110 19.667 12.033 -0.965 1.00 0.97 C ATOM 1647 O ALA A 110 20.232 12.954 -0.387 1.00 1.29 O ATOM 1648 CB ALA A 110 20.559 10.988 -3.069 1.00 1.07 C ATOM 0 H ALA A 110 18.892 9.502 -1.692 1.00 0.76 H new ATOM 0 HA ALA A 110 21.461 10.876 -1.123 1.00 0.94 H new ATOM 0 HB1 ALA A 110 21.060 11.922 -3.325 1.00 1.07 H new ATOM 0 HB2 ALA A 110 21.131 10.149 -3.465 1.00 1.07 H new ATOM 0 HB3 ALA A 110 19.559 10.982 -3.502 1.00 1.07 H new ATOM 1654 N LEU A 111 18.346 11.989 -1.147 1.00 0.80 N ATOM 1655 CA LEU A 111 17.443 13.054 -0.747 1.00 0.88 C ATOM 1656 C LEU A 111 17.059 12.957 0.735 1.00 0.73 C ATOM 1657 O LEU A 111 16.575 13.941 1.286 1.00 0.72 O ATOM 1658 CB LEU A 111 16.178 12.992 -1.612 1.00 1.12 C ATOM 1659 CG LEU A 111 16.408 12.898 -3.131 1.00 1.06 C ATOM 1660 CD1 LEU A 111 15.052 12.933 -3.844 1.00 1.34 C ATOM 1661 CD2 LEU A 111 17.289 14.036 -3.655 1.00 1.09 C ATOM 0 H LEU A 111 17.873 11.198 -1.584 1.00 0.80 H new ATOM 0 HA LEU A 111 17.958 14.004 -0.891 1.00 0.88 H new ATOM 0 HB2 LEU A 111 15.589 12.130 -1.299 1.00 1.12 H new ATOM 0 HB3 LEU A 111 15.578 13.879 -1.409 1.00 1.12 H new ATOM 0 HG LEU A 111 16.928 11.962 -3.334 1.00 1.06 H new ATOM 0 HD11 LEU A 111 15.205 12.867 -4.921 1.00 1.34 H new ATOM 0 HD12 LEU A 111 14.444 12.091 -3.512 1.00 1.34 H new ATOM 0 HD13 LEU A 111 14.540 13.866 -3.607 1.00 1.34 H new ATOM 0 HD21 LEU A 111 17.423 13.927 -4.731 1.00 1.09 H new ATOM 0 HD22 LEU A 111 16.811 14.993 -3.444 1.00 1.09 H new ATOM 0 HD23 LEU A 111 18.261 14.000 -3.163 1.00 1.09 H new ATOM 1673 N GLU A 112 17.199 11.771 1.347 1.00 0.71 N ATOM 1674 CA GLU A 112 16.652 11.448 2.665 1.00 0.71 C ATOM 1675 C GLU A 112 15.127 11.607 2.664 1.00 0.59 C ATOM 1676 O GLU A 112 14.536 12.217 3.552 1.00 0.68 O ATOM 1677 CB GLU A 112 17.388 12.212 3.782 1.00 0.86 C ATOM 1678 CG GLU A 112 18.739 11.544 4.068 1.00 1.22 C ATOM 1679 CD GLU A 112 19.575 12.318 5.079 1.00 1.97 C ATOM 1680 OE1 GLU A 112 19.891 13.488 4.781 1.00 2.61 O ATOM 1681 OE2 GLU A 112 19.900 11.709 6.121 1.00 2.92 O ATOM 0 H GLU A 112 17.709 10.994 0.925 1.00 0.71 H new ATOM 0 HA GLU A 112 16.835 10.397 2.891 1.00 0.71 H new ATOM 0 HB2 GLU A 112 17.541 13.250 3.485 1.00 0.86 H new ATOM 0 HB3 GLU A 112 16.780 12.226 4.687 1.00 0.86 H new ATOM 0 HG2 GLU A 112 18.569 10.534 4.441 1.00 1.22 H new ATOM 0 HG3 GLU A 112 19.298 11.450 3.137 1.00 1.22 H new ATOM 1688 N THR A 113 14.486 11.005 1.656 1.00 0.50 N ATOM 1689 CA THR A 113 13.044 11.032 1.468 1.00 0.44 C ATOM 1690 C THR A 113 12.504 9.625 1.225 1.00 0.41 C ATOM 1691 O THR A 113 13.248 8.725 0.826 1.00 0.46 O ATOM 1692 CB THR A 113 12.698 11.940 0.279 1.00 0.49 C ATOM 1693 OG1 THR A 113 13.345 11.456 -0.878 1.00 0.61 O ATOM 1694 CG2 THR A 113 13.159 13.379 0.509 1.00 0.70 C ATOM 0 H THR A 113 14.974 10.474 0.934 1.00 0.50 H new ATOM 0 HA THR A 113 12.580 11.425 2.373 1.00 0.44 H new ATOM 0 HB THR A 113 11.614 11.932 0.164 1.00 0.49 H new ATOM 0 HG1 THR A 113 12.864 10.673 -1.218 1.00 0.61 H new ATOM 0 HG21 THR A 113 12.895 13.988 -0.355 1.00 0.70 H new ATOM 0 HG22 THR A 113 12.671 13.780 1.398 1.00 0.70 H new ATOM 0 HG23 THR A 113 14.240 13.397 0.649 1.00 0.70 H new ATOM 1702 N VAL A 114 11.197 9.459 1.440 1.00 0.42 N ATOM 1703 CA VAL A 114 10.434 8.297 1.016 1.00 0.41 C ATOM 1704 C VAL A 114 9.158 8.761 0.324 1.00 0.41 C ATOM 1705 O VAL A 114 8.379 9.515 0.902 1.00 0.46 O ATOM 1706 CB VAL A 114 10.165 7.336 2.188 1.00 0.43 C ATOM 1707 CG1 VAL A 114 9.581 7.996 3.443 1.00 0.41 C ATOM 1708 CG2 VAL A 114 9.228 6.198 1.754 1.00 0.49 C ATOM 0 H VAL A 114 10.630 10.152 1.928 1.00 0.42 H new ATOM 0 HA VAL A 114 11.018 7.722 0.298 1.00 0.41 H new ATOM 0 HB VAL A 114 11.150 6.957 2.460 1.00 0.43 H new ATOM 0 HG11 VAL A 114 9.426 7.240 4.213 1.00 0.41 H new ATOM 0 HG12 VAL A 114 10.273 8.753 3.812 1.00 0.41 H new ATOM 0 HG13 VAL A 114 8.628 8.465 3.198 1.00 0.41 H new ATOM 0 HG21 VAL A 114 9.051 5.531 2.597 1.00 0.49 H new ATOM 0 HG22 VAL A 114 8.279 6.616 1.417 1.00 0.49 H new ATOM 0 HG23 VAL A 114 9.688 5.639 0.939 1.00 0.49 H new ATOM 1718 N THR A 115 8.936 8.302 -0.906 1.00 0.44 N ATOM 1719 CA THR A 115 7.678 8.528 -1.593 1.00 0.51 C ATOM 1720 C THR A 115 6.750 7.393 -1.184 1.00 0.68 C ATOM 1721 O THR A 115 6.940 6.273 -1.642 1.00 1.25 O ATOM 1722 CB THR A 115 7.921 8.581 -3.104 1.00 0.69 C ATOM 1723 OG1 THR A 115 8.877 9.579 -3.399 1.00 0.74 O ATOM 1724 CG2 THR A 115 6.625 8.887 -3.855 1.00 0.81 C ATOM 0 H THR A 115 9.619 7.769 -1.445 1.00 0.44 H new ATOM 0 HA THR A 115 7.221 9.480 -1.324 1.00 0.51 H new ATOM 0 HB THR A 115 8.290 7.607 -3.424 1.00 0.69 H new ATOM 0 HG1 THR A 115 9.031 9.609 -4.366 1.00 0.74 H new ATOM 0 HG21 THR A 115 6.824 8.919 -4.926 1.00 0.81 H new ATOM 0 HG22 THR A 115 5.891 8.109 -3.646 1.00 0.81 H new ATOM 0 HG23 THR A 115 6.235 9.851 -3.529 1.00 0.81 H new ATOM 1732 N VAL A 116 5.784 7.660 -0.301 1.00 0.39 N ATOM 1733 CA VAL A 116 4.892 6.623 0.211 1.00 0.44 C ATOM 1734 C VAL A 116 3.593 6.649 -0.592 1.00 0.42 C ATOM 1735 O VAL A 116 2.866 7.638 -0.552 1.00 0.46 O ATOM 1736 CB VAL A 116 4.720 6.729 1.740 1.00 0.59 C ATOM 1737 CG1 VAL A 116 4.148 8.060 2.235 1.00 0.70 C ATOM 1738 CG2 VAL A 116 3.857 5.578 2.270 1.00 0.77 C ATOM 0 H VAL A 116 5.601 8.591 0.074 1.00 0.39 H new ATOM 0 HA VAL A 116 5.328 5.634 0.068 1.00 0.44 H new ATOM 0 HB VAL A 116 5.734 6.668 2.136 1.00 0.59 H new ATOM 0 HG11 VAL A 116 4.064 8.038 3.322 1.00 0.70 H new ATOM 0 HG12 VAL A 116 4.810 8.873 1.938 1.00 0.70 H new ATOM 0 HG13 VAL A 116 3.162 8.217 1.798 1.00 0.70 H new ATOM 0 HG21 VAL A 116 3.749 5.672 3.350 1.00 0.77 H new ATOM 0 HG22 VAL A 116 2.873 5.615 1.802 1.00 0.77 H new ATOM 0 HG23 VAL A 116 4.335 4.627 2.035 1.00 0.77 H new ATOM 1748 N GLU A 117 3.319 5.581 -1.345 1.00 0.50 N ATOM 1749 CA GLU A 117 2.108 5.447 -2.136 1.00 0.51 C ATOM 1750 C GLU A 117 1.089 4.683 -1.311 1.00 0.50 C ATOM 1751 O GLU A 117 1.181 3.458 -1.227 1.00 0.49 O ATOM 1752 CB GLU A 117 2.402 4.681 -3.430 1.00 0.60 C ATOM 1753 CG GLU A 117 3.156 5.540 -4.443 1.00 1.08 C ATOM 1754 CD GLU A 117 3.494 4.784 -5.721 1.00 1.94 C ATOM 1755 OE1 GLU A 117 3.261 3.551 -5.742 1.00 2.41 O ATOM 1756 OE2 GLU A 117 3.987 5.455 -6.648 1.00 3.04 O ATOM 0 H GLU A 117 3.944 4.778 -1.419 1.00 0.50 H new ATOM 0 HA GLU A 117 1.725 6.433 -2.400 1.00 0.51 H new ATOM 0 HB2 GLU A 117 2.989 3.792 -3.200 1.00 0.60 H new ATOM 0 HB3 GLU A 117 1.465 4.339 -3.870 1.00 0.60 H new ATOM 0 HG2 GLU A 117 2.554 6.414 -4.692 1.00 1.08 H new ATOM 0 HG3 GLU A 117 4.077 5.906 -3.988 1.00 1.08 H new ATOM 1763 N TYR A 118 0.130 5.381 -0.702 1.00 0.52 N ATOM 1764 CA TYR A 118 -0.816 4.744 0.202 1.00 0.53 C ATOM 1765 C TYR A 118 -2.186 5.407 0.138 1.00 0.56 C ATOM 1766 O TYR A 118 -2.363 6.427 -0.530 1.00 0.67 O ATOM 1767 CB TYR A 118 -0.264 4.766 1.634 1.00 0.50 C ATOM 1768 CG TYR A 118 -0.477 6.072 2.375 1.00 0.48 C ATOM 1769 CD1 TYR A 118 0.243 7.226 2.017 1.00 1.75 C ATOM 1770 CD2 TYR A 118 -1.471 6.151 3.366 1.00 1.63 C ATOM 1771 CE1 TYR A 118 0.013 8.437 2.692 1.00 1.76 C ATOM 1772 CE2 TYR A 118 -1.694 7.359 4.043 1.00 1.63 C ATOM 1773 CZ TYR A 118 -0.936 8.495 3.727 1.00 0.50 C ATOM 1774 OH TYR A 118 -1.115 9.646 4.437 1.00 0.55 O ATOM 0 H TYR A 118 -0.009 6.385 -0.821 1.00 0.52 H new ATOM 0 HA TYR A 118 -0.945 3.708 -0.113 1.00 0.53 H new ATOM 0 HB2 TYR A 118 -0.732 3.961 2.202 1.00 0.50 H new ATOM 0 HB3 TYR A 118 0.804 4.553 1.600 1.00 0.50 H new ATOM 0 HD1 TYR A 118 0.973 7.181 1.223 1.00 1.75 H new ATOM 0 HD2 TYR A 118 -2.064 5.281 3.606 1.00 1.63 H new ATOM 0 HE1 TYR A 118 0.565 9.323 2.415 1.00 1.76 H new ATOM 0 HE2 TYR A 118 -2.452 7.414 4.810 1.00 1.63 H new ATOM 0 HH TYR A 118 -2.070 9.866 4.469 1.00 0.55 H new ATOM 1784 N ASN A 119 -3.160 4.774 0.798 1.00 0.51 N ATOM 1785 CA ASN A 119 -4.563 5.150 0.754 1.00 0.52 C ATOM 1786 C ASN A 119 -4.904 6.019 1.968 1.00 0.51 C ATOM 1787 O ASN A 119 -5.114 5.478 3.058 1.00 0.58 O ATOM 1788 CB ASN A 119 -5.426 3.878 0.723 1.00 0.61 C ATOM 1789 CG ASN A 119 -6.690 4.055 -0.109 1.00 1.03 C ATOM 1790 OD1 ASN A 119 -6.934 3.275 -1.021 1.00 2.52 O ATOM 1791 ND2 ASN A 119 -7.510 5.065 0.170 1.00 1.94 N ATOM 0 H ASN A 119 -2.982 3.964 1.392 1.00 0.51 H new ATOM 0 HA ASN A 119 -4.766 5.731 -0.145 1.00 0.52 H new ATOM 0 HB2 ASN A 119 -4.839 3.054 0.317 1.00 0.61 H new ATOM 0 HB3 ASN A 119 -5.700 3.603 1.742 1.00 0.61 H new ATOM 0 HD21 ASN A 119 -8.359 5.200 -0.380 1.00 1.94 H new ATOM 0 HD22 ASN A 119 -7.290 5.705 0.934 1.00 1.94 H new ATOM 1798 N PRO A 120 -5.057 7.345 1.815 1.00 0.49 N ATOM 1799 CA PRO A 120 -5.305 8.242 2.940 1.00 0.53 C ATOM 1800 C PRO A 120 -6.727 8.116 3.513 1.00 0.60 C ATOM 1801 O PRO A 120 -7.156 8.975 4.280 1.00 0.69 O ATOM 1802 CB PRO A 120 -5.022 9.644 2.390 1.00 0.55 C ATOM 1803 CG PRO A 120 -5.432 9.519 0.924 1.00 0.52 C ATOM 1804 CD PRO A 120 -4.978 8.103 0.574 1.00 0.50 C ATOM 0 HA PRO A 120 -4.666 7.997 3.789 1.00 0.53 H new ATOM 0 HB2 PRO A 120 -5.602 10.407 2.909 1.00 0.55 H new ATOM 0 HB3 PRO A 120 -3.972 9.916 2.495 1.00 0.55 H new ATOM 0 HG2 PRO A 120 -6.506 9.645 0.791 1.00 0.52 H new ATOM 0 HG3 PRO A 120 -4.943 10.268 0.301 1.00 0.52 H new ATOM 0 HD2 PRO A 120 -5.617 7.666 -0.193 1.00 0.50 H new ATOM 0 HD3 PRO A 120 -3.962 8.104 0.180 1.00 0.50 H new ATOM 1812 N LYS A 121 -7.466 7.058 3.154 1.00 0.65 N ATOM 1813 CA LYS A 121 -8.714 6.680 3.797 1.00 0.74 C ATOM 1814 C LYS A 121 -8.416 5.652 4.888 1.00 0.67 C ATOM 1815 O LYS A 121 -9.051 5.663 5.940 1.00 0.85 O ATOM 1816 CB LYS A 121 -9.736 6.246 2.725 1.00 0.85 C ATOM 1817 CG LYS A 121 -9.995 4.742 2.555 1.00 2.64 C ATOM 1818 CD LYS A 121 -10.997 4.238 3.605 1.00 4.36 C ATOM 1819 CE LYS A 121 -11.343 2.738 3.509 1.00 6.51 C ATOM 1820 NZ LYS A 121 -12.435 2.391 2.570 1.00 7.61 N ATOM 0 H LYS A 121 -7.201 6.434 2.392 1.00 0.65 H new ATOM 0 HA LYS A 121 -9.187 7.519 4.308 1.00 0.74 H new ATOM 0 HB2 LYS A 121 -10.687 6.727 2.954 1.00 0.85 H new ATOM 0 HB3 LYS A 121 -9.403 6.640 1.765 1.00 0.85 H new ATOM 0 HG2 LYS A 121 -10.380 4.546 1.555 1.00 2.64 H new ATOM 0 HG3 LYS A 121 -9.057 4.194 2.648 1.00 2.64 H new ATOM 0 HD2 LYS A 121 -10.593 4.439 4.597 1.00 4.36 H new ATOM 0 HD3 LYS A 121 -11.918 4.814 3.513 1.00 4.36 H new ATOM 0 HE2 LYS A 121 -10.446 2.195 3.211 1.00 6.51 H new ATOM 0 HE3 LYS A 121 -11.616 2.382 4.503 1.00 6.51 H new ATOM 0 HZ1 LYS A 121 -12.940 1.552 2.920 1.00 7.61 H new ATOM 0 HZ2 LYS A 121 -13.098 3.189 2.498 1.00 7.61 H new ATOM 0 HZ3 LYS A 121 -12.035 2.188 1.632 1.00 7.61 H new ATOM 1834 N GLU A 122 -7.480 4.739 4.613 1.00 0.61 N ATOM 1835 CA GLU A 122 -7.219 3.575 5.437 1.00 0.62 C ATOM 1836 C GLU A 122 -6.220 3.971 6.531 1.00 0.60 C ATOM 1837 O GLU A 122 -6.426 3.677 7.705 1.00 0.65 O ATOM 1838 CB GLU A 122 -6.722 2.446 4.512 1.00 0.64 C ATOM 1839 CG GLU A 122 -7.387 1.092 4.788 1.00 0.83 C ATOM 1840 CD GLU A 122 -7.096 0.572 6.185 1.00 3.02 C ATOM 1841 OE1 GLU A 122 -5.891 0.435 6.483 1.00 4.59 O ATOM 1842 OE2 GLU A 122 -8.086 0.313 6.902 1.00 3.85 O ATOM 0 H GLU A 122 -6.876 4.797 3.794 1.00 0.61 H new ATOM 0 HA GLU A 122 -8.109 3.206 5.947 1.00 0.62 H new ATOM 0 HB2 GLU A 122 -6.907 2.728 3.476 1.00 0.64 H new ATOM 0 HB3 GLU A 122 -5.643 2.342 4.626 1.00 0.64 H new ATOM 0 HG2 GLU A 122 -8.465 1.187 4.657 1.00 0.83 H new ATOM 0 HG3 GLU A 122 -7.040 0.365 4.054 1.00 0.83 H new ATOM 1849 N ALA A 123 -5.165 4.699 6.143 1.00 0.56 N ATOM 1850 CA ALA A 123 -4.134 5.194 7.054 1.00 0.55 C ATOM 1851 C ALA A 123 -3.988 6.712 6.893 1.00 0.48 C ATOM 1852 O ALA A 123 -4.781 7.334 6.187 1.00 0.47 O ATOM 1853 CB ALA A 123 -2.827 4.442 6.788 1.00 0.58 C ATOM 0 H ALA A 123 -5.005 4.963 5.171 1.00 0.56 H new ATOM 0 HA ALA A 123 -4.414 5.010 8.091 1.00 0.55 H new ATOM 0 HB1 ALA A 123 -2.054 4.806 7.464 1.00 0.58 H new ATOM 0 HB2 ALA A 123 -2.981 3.376 6.953 1.00 0.58 H new ATOM 0 HB3 ALA A 123 -2.515 4.608 5.757 1.00 0.58 H new ATOM 1859 N SER A 124 -2.986 7.328 7.532 1.00 0.52 N ATOM 1860 CA SER A 124 -2.747 8.766 7.457 1.00 0.46 C ATOM 1861 C SER A 124 -1.307 9.090 7.862 1.00 0.50 C ATOM 1862 O SER A 124 -0.586 8.224 8.358 1.00 0.66 O ATOM 1863 CB SER A 124 -3.735 9.491 8.380 1.00 0.49 C ATOM 1864 OG SER A 124 -3.486 9.132 9.727 1.00 1.98 O ATOM 0 H SER A 124 -2.315 6.834 8.120 1.00 0.52 H new ATOM 0 HA SER A 124 -2.896 9.102 6.431 1.00 0.46 H new ATOM 0 HB2 SER A 124 -3.637 10.570 8.258 1.00 0.49 H new ATOM 0 HB3 SER A 124 -4.758 9.231 8.108 1.00 0.49 H new ATOM 0 HG SER A 124 -4.118 9.599 10.312 1.00 1.98 H new ATOM 1870 N VAL A 125 -0.918 10.365 7.734 1.00 0.45 N ATOM 1871 CA VAL A 125 0.333 10.900 8.264 1.00 0.50 C ATOM 1872 C VAL A 125 0.580 10.404 9.689 1.00 0.45 C ATOM 1873 O VAL A 125 1.699 10.024 10.016 1.00 0.47 O ATOM 1874 CB VAL A 125 0.334 12.444 8.240 1.00 0.62 C ATOM 1875 CG1 VAL A 125 1.718 12.989 8.605 1.00 1.50 C ATOM 1876 CG2 VAL A 125 -0.095 13.021 6.880 1.00 1.32 C ATOM 0 H VAL A 125 -1.479 11.064 7.248 1.00 0.45 H new ATOM 0 HA VAL A 125 1.138 10.542 7.622 1.00 0.50 H new ATOM 0 HB VAL A 125 -0.400 12.760 8.981 1.00 0.62 H new ATOM 0 HG11 VAL A 125 1.698 14.079 8.582 1.00 1.50 H new ATOM 0 HG12 VAL A 125 1.990 12.652 9.605 1.00 1.50 H new ATOM 0 HG13 VAL A 125 2.453 12.625 7.887 1.00 1.50 H new ATOM 0 HG21 VAL A 125 -0.075 14.110 6.924 1.00 1.32 H new ATOM 0 HG22 VAL A 125 0.591 12.676 6.106 1.00 1.32 H new ATOM 0 HG23 VAL A 125 -1.105 12.686 6.645 1.00 1.32 H new ATOM 1886 N SER A 126 -0.457 10.410 10.532 1.00 0.47 N ATOM 1887 CA SER A 126 -0.331 10.000 11.923 1.00 0.50 C ATOM 1888 C SER A 126 0.132 8.546 12.034 1.00 0.49 C ATOM 1889 O SER A 126 1.011 8.246 12.835 1.00 0.51 O ATOM 1890 CB SER A 126 -1.651 10.231 12.662 1.00 0.55 C ATOM 1891 OG SER A 126 -1.979 11.609 12.630 1.00 0.59 O ATOM 0 H SER A 126 -1.399 10.698 10.266 1.00 0.47 H new ATOM 0 HA SER A 126 0.435 10.613 12.397 1.00 0.50 H new ATOM 0 HB2 SER A 126 -2.446 9.647 12.198 1.00 0.55 H new ATOM 0 HB3 SER A 126 -1.566 9.891 13.694 1.00 0.55 H new ATOM 0 HG SER A 126 -2.825 11.755 13.102 1.00 0.59 H new ATOM 1897 N ASP A 127 -0.420 7.650 11.213 1.00 0.49 N ATOM 1898 CA ASP A 127 0.007 6.255 11.199 1.00 0.51 C ATOM 1899 C ASP A 127 1.463 6.164 10.751 1.00 0.54 C ATOM 1900 O ASP A 127 2.282 5.501 11.376 1.00 0.60 O ATOM 1901 CB ASP A 127 -0.888 5.452 10.251 1.00 0.54 C ATOM 1902 CG ASP A 127 -0.251 4.106 9.934 1.00 0.99 C ATOM 1903 OD1 ASP A 127 -0.199 3.278 10.865 1.00 1.40 O ATOM 1904 OD2 ASP A 127 0.204 3.962 8.779 1.00 2.21 O ATOM 0 H ASP A 127 -1.164 7.869 10.550 1.00 0.49 H new ATOM 0 HA ASP A 127 -0.079 5.841 12.204 1.00 0.51 H new ATOM 0 HB2 ASP A 127 -1.867 5.300 10.706 1.00 0.54 H new ATOM 0 HB3 ASP A 127 -1.048 6.012 9.330 1.00 0.54 H new ATOM 1909 N LEU A 128 1.794 6.859 9.666 1.00 0.55 N ATOM 1910 CA LEU A 128 3.115 6.793 9.054 1.00 0.60 C ATOM 1911 C LEU A 128 4.177 7.270 10.040 1.00 0.62 C ATOM 1912 O LEU A 128 5.198 6.613 10.252 1.00 0.63 O ATOM 1913 CB LEU A 128 3.124 7.624 7.775 1.00 0.65 C ATOM 1914 CG LEU A 128 2.226 6.989 6.705 1.00 0.69 C ATOM 1915 CD1 LEU A 128 2.096 7.973 5.551 1.00 0.86 C ATOM 1916 CD2 LEU A 128 2.787 5.666 6.167 1.00 0.81 C ATOM 0 H LEU A 128 1.149 7.486 9.185 1.00 0.55 H new ATOM 0 HA LEU A 128 3.349 5.761 8.794 1.00 0.60 H new ATOM 0 HB2 LEU A 128 2.780 8.636 7.991 1.00 0.65 H new ATOM 0 HB3 LEU A 128 4.143 7.708 7.398 1.00 0.65 H new ATOM 0 HG LEU A 128 1.262 6.768 7.163 1.00 0.69 H new ATOM 0 HD11 LEU A 128 1.461 7.543 4.776 1.00 0.86 H new ATOM 0 HD12 LEU A 128 1.651 8.900 5.912 1.00 0.86 H new ATOM 0 HD13 LEU A 128 3.083 8.181 5.137 1.00 0.86 H new ATOM 0 HD21 LEU A 128 2.110 5.263 5.414 1.00 0.81 H new ATOM 0 HD22 LEU A 128 3.765 5.841 5.719 1.00 0.81 H new ATOM 0 HD23 LEU A 128 2.885 4.953 6.985 1.00 0.81 H new ATOM 1928 N LYS A 129 3.897 8.416 10.663 1.00 0.64 N ATOM 1929 CA LYS A 129 4.606 8.894 11.830 1.00 0.61 C ATOM 1930 C LYS A 129 4.736 7.760 12.833 1.00 0.68 C ATOM 1931 O LYS A 129 5.848 7.285 13.036 1.00 0.87 O ATOM 1932 CB LYS A 129 3.848 10.089 12.419 1.00 0.63 C ATOM 1933 CG LYS A 129 4.076 11.331 11.557 1.00 0.60 C ATOM 1934 CD LYS A 129 4.851 12.438 12.288 1.00 0.55 C ATOM 1935 CE LYS A 129 6.297 12.059 12.690 1.00 2.64 C ATOM 1936 NZ LYS A 129 6.419 11.368 13.999 1.00 3.57 N ATOM 0 H LYS A 129 3.154 9.044 10.357 1.00 0.64 H new ATOM 0 HA LYS A 129 5.610 9.226 11.565 1.00 0.61 H new ATOM 0 HB2 LYS A 129 2.783 9.864 12.472 1.00 0.63 H new ATOM 0 HB3 LYS A 129 4.185 10.277 13.438 1.00 0.63 H new ATOM 0 HG2 LYS A 129 4.622 11.046 10.658 1.00 0.60 H new ATOM 0 HG3 LYS A 129 3.112 11.723 11.234 1.00 0.60 H new ATOM 0 HD2 LYS A 129 4.886 13.321 11.649 1.00 0.55 H new ATOM 0 HD3 LYS A 129 4.300 12.716 13.186 1.00 0.55 H new ATOM 0 HE2 LYS A 129 6.718 11.417 11.916 1.00 2.64 H new ATOM 0 HE3 LYS A 129 6.901 12.966 12.716 1.00 2.64 H new ATOM 0 HZ1 LYS A 129 7.387 11.003 14.110 1.00 3.57 H new ATOM 0 HZ2 LYS A 129 6.212 12.039 14.766 1.00 3.57 H new ATOM 0 HZ3 LYS A 129 5.744 10.577 14.038 1.00 3.57 H new ATOM 1950 N GLU A 130 3.621 7.297 13.404 1.00 0.62 N ATOM 1951 CA GLU A 130 3.653 6.302 14.467 1.00 0.64 C ATOM 1952 C GLU A 130 4.507 5.092 14.089 1.00 0.60 C ATOM 1953 O GLU A 130 5.244 4.578 14.927 1.00 0.63 O ATOM 1954 CB GLU A 130 2.235 5.880 14.869 1.00 0.65 C ATOM 1955 CG GLU A 130 1.618 6.868 15.871 1.00 1.62 C ATOM 1956 CD GLU A 130 0.424 6.256 16.589 1.00 2.70 C ATOM 1957 OE1 GLU A 130 0.676 5.345 17.409 1.00 2.65 O ATOM 1958 OE2 GLU A 130 -0.707 6.710 16.317 1.00 4.43 O ATOM 0 H GLU A 130 2.683 7.600 13.143 1.00 0.62 H new ATOM 0 HA GLU A 130 4.123 6.767 15.333 1.00 0.64 H new ATOM 0 HB2 GLU A 130 1.606 5.820 13.981 1.00 0.65 H new ATOM 0 HB3 GLU A 130 2.261 4.883 15.308 1.00 0.65 H new ATOM 0 HG2 GLU A 130 2.370 7.166 16.601 1.00 1.62 H new ATOM 0 HG3 GLU A 130 1.306 7.772 15.348 1.00 1.62 H new ATOM 1965 N ALA A 131 4.436 4.648 12.834 1.00 0.58 N ATOM 1966 CA ALA A 131 5.212 3.530 12.336 1.00 0.57 C ATOM 1967 C ALA A 131 6.705 3.834 12.448 1.00 0.51 C ATOM 1968 O ALA A 131 7.450 3.070 13.063 1.00 0.52 O ATOM 1969 CB ALA A 131 4.799 3.203 10.897 1.00 0.59 C ATOM 0 H ALA A 131 3.827 5.066 12.131 1.00 0.58 H new ATOM 0 HA ALA A 131 5.011 2.648 12.944 1.00 0.57 H new ATOM 0 HB1 ALA A 131 5.388 2.362 10.532 1.00 0.59 H new ATOM 0 HB2 ALA A 131 3.741 2.943 10.872 1.00 0.59 H new ATOM 0 HB3 ALA A 131 4.974 4.071 10.262 1.00 0.59 H new ATOM 1975 N VAL A 132 7.178 4.934 11.856 1.00 0.49 N ATOM 1976 CA VAL A 132 8.606 5.200 11.868 1.00 0.44 C ATOM 1977 C VAL A 132 9.091 5.605 13.265 1.00 0.48 C ATOM 1978 O VAL A 132 10.205 5.263 13.675 1.00 0.46 O ATOM 1979 CB VAL A 132 8.925 6.207 10.771 1.00 0.53 C ATOM 1980 CG1 VAL A 132 10.399 6.601 10.876 1.00 1.70 C ATOM 1981 CG2 VAL A 132 8.615 5.555 9.412 1.00 1.44 C ATOM 0 H VAL A 132 6.608 5.632 11.378 1.00 0.49 H new ATOM 0 HA VAL A 132 9.166 4.292 11.645 1.00 0.44 H new ATOM 0 HB VAL A 132 8.322 7.109 10.874 1.00 0.53 H new ATOM 0 HG11 VAL A 132 10.639 7.322 10.095 1.00 1.70 H new ATOM 0 HG12 VAL A 132 10.588 7.047 11.852 1.00 1.70 H new ATOM 0 HG13 VAL A 132 11.022 5.715 10.756 1.00 1.70 H new ATOM 0 HG21 VAL A 132 8.837 6.260 8.611 1.00 1.44 H new ATOM 0 HG22 VAL A 132 9.227 4.662 9.289 1.00 1.44 H new ATOM 0 HG23 VAL A 132 7.561 5.280 9.372 1.00 1.44 H new ATOM 1991 N ASP A 133 8.235 6.293 14.018 1.00 0.63 N ATOM 1992 CA ASP A 133 8.465 6.583 15.408 1.00 0.75 C ATOM 1993 C ASP A 133 8.660 5.243 16.145 1.00 0.78 C ATOM 1994 O ASP A 133 9.590 5.108 16.937 1.00 0.85 O ATOM 1995 CB ASP A 133 7.301 7.425 15.956 1.00 1.00 C ATOM 1996 CG ASP A 133 7.057 8.779 15.274 1.00 2.42 C ATOM 1997 OD1 ASP A 133 8.004 9.462 14.816 1.00 2.74 O ATOM 1998 OD2 ASP A 133 5.880 9.198 15.207 1.00 3.78 O ATOM 0 H ASP A 133 7.354 6.664 13.663 1.00 0.63 H new ATOM 0 HA ASP A 133 9.365 7.179 15.558 1.00 0.75 H new ATOM 0 HB2 ASP A 133 6.388 6.835 15.881 1.00 1.00 H new ATOM 0 HB3 ASP A 133 7.478 7.604 17.017 1.00 1.00 H new ATOM 2003 N LYS A 134 7.846 4.223 15.830 1.00 0.80 N ATOM 2004 CA LYS A 134 8.033 2.853 16.313 1.00 0.85 C ATOM 2005 C LYS A 134 9.398 2.285 15.914 1.00 0.75 C ATOM 2006 O LYS A 134 10.089 1.727 16.764 1.00 0.97 O ATOM 2007 CB LYS A 134 6.913 1.899 15.837 1.00 0.89 C ATOM 2008 CG LYS A 134 6.119 1.318 17.011 1.00 1.00 C ATOM 2009 CD LYS A 134 5.129 2.362 17.546 1.00 1.77 C ATOM 2010 CE LYS A 134 4.776 2.133 19.022 1.00 2.30 C ATOM 2011 NZ LYS A 134 4.259 0.773 19.279 1.00 2.41 N ATOM 0 H LYS A 134 7.031 4.332 15.226 1.00 0.80 H new ATOM 0 HA LYS A 134 7.985 2.917 17.400 1.00 0.85 H new ATOM 0 HB2 LYS A 134 6.237 2.436 15.172 1.00 0.89 H new ATOM 0 HB3 LYS A 134 7.351 1.086 15.257 1.00 0.89 H new ATOM 0 HG2 LYS A 134 5.581 0.426 16.690 1.00 1.00 H new ATOM 0 HG3 LYS A 134 6.800 1.011 17.805 1.00 1.00 H new ATOM 0 HD2 LYS A 134 5.556 3.358 17.428 1.00 1.77 H new ATOM 0 HD3 LYS A 134 4.218 2.334 16.949 1.00 1.77 H new ATOM 0 HE2 LYS A 134 5.662 2.302 19.634 1.00 2.30 H new ATOM 0 HE3 LYS A 134 4.030 2.865 19.331 1.00 2.30 H new ATOM 0 HZ1 LYS A 134 3.941 0.703 20.267 1.00 2.41 H new ATOM 0 HZ2 LYS A 134 3.459 0.580 18.644 1.00 2.41 H new ATOM 0 HZ3 LYS A 134 5.013 0.077 19.108 1.00 2.41 H new ATOM 2025 N LEU A 135 9.780 2.382 14.632 1.00 0.58 N ATOM 2026 CA LEU A 135 11.109 1.937 14.197 1.00 0.54 C ATOM 2027 C LEU A 135 12.207 2.611 15.029 1.00 0.64 C ATOM 2028 O LEU A 135 13.258 2.013 15.253 1.00 0.91 O ATOM 2029 CB LEU A 135 11.377 2.224 12.709 1.00 0.45 C ATOM 2030 CG LEU A 135 10.891 1.191 11.681 1.00 0.46 C ATOM 2031 CD1 LEU A 135 11.510 -0.196 11.881 1.00 0.54 C ATOM 2032 CD2 LEU A 135 9.371 1.085 11.626 1.00 0.93 C ATOM 0 H LEU A 135 9.194 2.760 13.887 1.00 0.58 H new ATOM 0 HA LEU A 135 11.127 0.857 14.346 1.00 0.54 H new ATOM 0 HB2 LEU A 135 10.917 3.182 12.465 1.00 0.45 H new ATOM 0 HB3 LEU A 135 12.453 2.345 12.580 1.00 0.45 H new ATOM 0 HG LEU A 135 11.239 1.571 10.721 1.00 0.46 H new ATOM 0 HD11 LEU A 135 11.126 -0.879 11.123 1.00 0.54 H new ATOM 0 HD12 LEU A 135 12.594 -0.127 11.791 1.00 0.54 H new ATOM 0 HD13 LEU A 135 11.251 -0.571 12.871 1.00 0.54 H new ATOM 0 HD21 LEU A 135 9.085 0.341 10.883 1.00 0.93 H new ATOM 0 HD22 LEU A 135 8.991 0.787 12.603 1.00 0.93 H new ATOM 0 HD23 LEU A 135 8.949 2.052 11.352 1.00 0.93 H new ATOM 2044 N GLY A 136 11.972 3.853 15.454 1.00 0.55 N ATOM 2045 CA GLY A 136 12.888 4.612 16.288 1.00 0.62 C ATOM 2046 C GLY A 136 13.700 5.570 15.429 1.00 0.57 C ATOM 2047 O GLY A 136 14.905 5.718 15.621 1.00 0.70 O ATOM 0 H GLY A 136 11.121 4.364 15.220 1.00 0.55 H new ATOM 0 HA2 GLY A 136 12.331 5.169 17.041 1.00 0.62 H new ATOM 0 HA3 GLY A 136 13.555 3.934 16.821 1.00 0.62 H new ATOM 2051 N TYR A 137 13.025 6.227 14.486 1.00 0.52 N ATOM 2052 CA TYR A 137 13.553 7.337 13.707 1.00 0.54 C ATOM 2053 C TYR A 137 12.525 8.462 13.809 1.00 0.58 C ATOM 2054 O TYR A 137 11.573 8.330 14.577 1.00 0.68 O ATOM 2055 CB TYR A 137 13.760 6.872 12.263 1.00 0.53 C ATOM 2056 CG TYR A 137 14.609 5.626 12.124 1.00 0.52 C ATOM 2057 CD1 TYR A 137 15.925 5.599 12.622 1.00 1.78 C ATOM 2058 CD2 TYR A 137 14.039 4.453 11.599 1.00 1.98 C ATOM 2059 CE1 TYR A 137 16.642 4.390 12.645 1.00 1.79 C ATOM 2060 CE2 TYR A 137 14.782 3.264 11.554 1.00 2.01 C ATOM 2061 CZ TYR A 137 16.059 3.219 12.134 1.00 0.65 C ATOM 2062 OH TYR A 137 16.772 2.058 12.083 1.00 0.81 O ATOM 0 H TYR A 137 12.064 5.990 14.238 1.00 0.52 H new ATOM 0 HA TYR A 137 14.517 7.690 14.072 1.00 0.54 H new ATOM 0 HB2 TYR A 137 12.786 6.686 11.811 1.00 0.53 H new ATOM 0 HB3 TYR A 137 14.225 7.679 11.697 1.00 0.53 H new ATOM 0 HD1 TYR A 137 16.384 6.506 12.986 1.00 1.78 H new ATOM 0 HD2 TYR A 137 13.025 4.467 11.229 1.00 1.98 H new ATOM 0 HE1 TYR A 137 17.641 4.362 13.055 1.00 1.79 H new ATOM 0 HE2 TYR A 137 14.373 2.387 11.075 1.00 2.01 H new ATOM 0 HH TYR A 137 17.645 2.228 11.671 1.00 0.81 H new ATOM 2072 N LYS A 138 12.678 9.553 13.049 1.00 0.61 N ATOM 2073 CA LYS A 138 11.679 10.605 13.029 1.00 0.74 C ATOM 2074 C LYS A 138 11.391 10.950 11.569 1.00 0.67 C ATOM 2075 O LYS A 138 12.311 11.167 10.774 1.00 0.65 O ATOM 2076 CB LYS A 138 12.141 11.776 13.901 1.00 0.94 C ATOM 2077 CG LYS A 138 13.295 12.541 13.261 1.00 0.94 C ATOM 2078 CD LYS A 138 14.170 13.219 14.318 1.00 1.66 C ATOM 2079 CE LYS A 138 14.788 14.449 13.659 1.00 2.27 C ATOM 2080 NZ LYS A 138 15.885 15.105 14.390 1.00 3.11 N ATOM 0 H LYS A 138 13.483 9.721 12.446 1.00 0.61 H new ATOM 0 HA LYS A 138 10.732 10.292 13.469 1.00 0.74 H new ATOM 0 HB2 LYS A 138 11.305 12.455 14.070 1.00 0.94 H new ATOM 0 HB3 LYS A 138 12.450 11.402 14.877 1.00 0.94 H new ATOM 0 HG2 LYS A 138 13.902 11.857 12.668 1.00 0.94 H new ATOM 0 HG3 LYS A 138 12.900 13.292 12.577 1.00 0.94 H new ATOM 0 HD2 LYS A 138 13.576 13.504 15.186 1.00 1.66 H new ATOM 0 HD3 LYS A 138 14.946 12.539 14.671 1.00 1.66 H new ATOM 0 HE2 LYS A 138 15.159 14.159 12.676 1.00 2.27 H new ATOM 0 HE3 LYS A 138 13.998 15.183 13.498 1.00 2.27 H new ATOM 0 HZ1 LYS A 138 16.290 15.861 13.802 1.00 3.11 H new ATOM 0 HZ2 LYS A 138 15.518 15.512 15.274 1.00 3.11 H new ATOM 0 HZ3 LYS A 138 16.622 14.405 14.611 1.00 3.11 H new ATOM 2094 N LEU A 139 10.105 10.910 11.229 1.00 0.70 N ATOM 2095 CA LEU A 139 9.585 11.027 9.879 1.00 0.73 C ATOM 2096 C LEU A 139 9.033 12.447 9.701 1.00 0.65 C ATOM 2097 O LEU A 139 8.564 13.050 10.668 1.00 0.69 O ATOM 2098 CB LEU A 139 8.531 9.927 9.708 1.00 1.12 C ATOM 2099 CG LEU A 139 8.330 9.442 8.269 1.00 0.57 C ATOM 2100 CD1 LEU A 139 9.568 8.828 7.603 1.00 2.06 C ATOM 2101 CD2 LEU A 139 7.123 8.511 8.220 1.00 2.67 C ATOM 0 H LEU A 139 9.367 10.789 11.923 1.00 0.70 H new ATOM 0 HA LEU A 139 10.342 10.887 9.107 1.00 0.73 H new ATOM 0 HB2 LEU A 139 8.813 9.075 10.327 1.00 1.12 H new ATOM 0 HB3 LEU A 139 7.578 10.295 10.088 1.00 1.12 H new ATOM 0 HG LEU A 139 8.142 10.329 7.664 1.00 0.57 H new ATOM 0 HD11 LEU A 139 9.319 8.517 6.588 1.00 2.06 H new ATOM 0 HD12 LEU A 139 10.368 9.568 7.570 1.00 2.06 H new ATOM 0 HD13 LEU A 139 9.898 7.962 8.177 1.00 2.06 H new ATOM 0 HD21 LEU A 139 6.974 8.162 7.198 1.00 2.67 H new ATOM 0 HD22 LEU A 139 7.296 7.656 8.874 1.00 2.67 H new ATOM 0 HD23 LEU A 139 6.235 9.049 8.553 1.00 2.67 H new ATOM 2113 N LYS A 140 9.135 12.997 8.493 1.00 0.72 N ATOM 2114 CA LYS A 140 8.829 14.380 8.152 1.00 0.66 C ATOM 2115 C LYS A 140 8.070 14.366 6.822 1.00 0.63 C ATOM 2116 O LYS A 140 7.910 13.303 6.221 1.00 0.80 O ATOM 2117 CB LYS A 140 10.150 15.152 8.007 1.00 0.78 C ATOM 2118 CG LYS A 140 10.926 15.414 9.301 1.00 0.99 C ATOM 2119 CD LYS A 140 10.210 16.433 10.197 1.00 1.68 C ATOM 2120 CE LYS A 140 11.250 17.179 11.045 1.00 1.97 C ATOM 2121 NZ LYS A 140 10.638 18.210 11.905 1.00 2.77 N ATOM 0 H LYS A 140 9.450 12.460 7.685 1.00 0.72 H new ATOM 0 HA LYS A 140 8.224 14.861 8.920 1.00 0.66 H new ATOM 0 HB2 LYS A 140 10.797 14.599 7.326 1.00 0.78 H new ATOM 0 HB3 LYS A 140 9.936 16.111 7.536 1.00 0.78 H new ATOM 0 HG2 LYS A 140 11.053 14.478 9.845 1.00 0.99 H new ATOM 0 HG3 LYS A 140 11.924 15.780 9.059 1.00 0.99 H new ATOM 0 HD2 LYS A 140 9.647 17.139 9.587 1.00 1.68 H new ATOM 0 HD3 LYS A 140 9.493 15.927 10.843 1.00 1.68 H new ATOM 0 HE2 LYS A 140 11.789 16.464 11.667 1.00 1.97 H new ATOM 0 HE3 LYS A 140 11.983 17.646 10.388 1.00 1.97 H new ATOM 0 HZ1 LYS A 140 11.379 18.686 12.458 1.00 2.77 H new ATOM 0 HZ2 LYS A 140 10.146 18.909 11.313 1.00 2.77 H new ATOM 0 HZ3 LYS A 140 9.957 17.763 12.552 1.00 2.77 H new ATOM 2135 N LEU A 141 7.604 15.528 6.350 1.00 0.58 N ATOM 2136 CA LEU A 141 6.890 15.655 5.086 1.00 0.60 C ATOM 2137 C LEU A 141 7.502 16.771 4.247 1.00 0.52 C ATOM 2138 O LEU A 141 7.917 17.795 4.793 1.00 0.70 O ATOM 2139 CB LEU A 141 5.397 15.909 5.324 1.00 0.92 C ATOM 2140 CG LEU A 141 4.741 14.770 6.123 1.00 1.38 C ATOM 2141 CD1 LEU A 141 4.624 15.128 7.611 1.00 1.22 C ATOM 2142 CD2 LEU A 141 3.356 14.471 5.550 1.00 2.37 C ATOM 0 H LEU A 141 7.716 16.413 6.845 1.00 0.58 H new ATOM 0 HA LEU A 141 6.985 14.717 4.539 1.00 0.60 H new ATOM 0 HB2 LEU A 141 5.270 16.849 5.861 1.00 0.92 H new ATOM 0 HB3 LEU A 141 4.890 16.019 4.365 1.00 0.92 H new ATOM 0 HG LEU A 141 5.373 13.886 6.038 1.00 1.38 H new ATOM 0 HD11 LEU A 141 4.156 14.303 8.148 1.00 1.22 H new ATOM 0 HD12 LEU A 141 5.617 15.311 8.020 1.00 1.22 H new ATOM 0 HD13 LEU A 141 4.015 16.025 7.723 1.00 1.22 H new ATOM 0 HD21 LEU A 141 2.894 13.664 6.118 1.00 2.37 H new ATOM 0 HD22 LEU A 141 2.734 15.364 5.617 1.00 2.37 H new ATOM 0 HD23 LEU A 141 3.451 14.172 4.506 1.00 2.37 H new ATOM 2154 N LYS A 142 7.526 16.608 2.919 1.00 0.47 N ATOM 2155 CA LYS A 142 8.046 17.649 2.048 1.00 0.62 C ATOM 2156 C LYS A 142 6.980 18.726 1.861 1.00 0.90 C ATOM 2157 O LYS A 142 6.206 18.706 0.906 1.00 1.10 O ATOM 2158 CB LYS A 142 8.481 17.064 0.699 1.00 0.68 C ATOM 2159 CG LYS A 142 9.730 16.185 0.853 1.00 0.81 C ATOM 2160 CD LYS A 142 10.775 16.494 -0.225 1.00 1.25 C ATOM 2161 CE LYS A 142 11.496 17.822 0.066 1.00 2.16 C ATOM 2162 NZ LYS A 142 12.536 18.122 -0.939 1.00 3.06 N ATOM 0 H LYS A 142 7.194 15.773 2.436 1.00 0.47 H new ATOM 0 HA LYS A 142 8.927 18.097 2.508 1.00 0.62 H new ATOM 0 HB2 LYS A 142 7.668 16.474 0.276 1.00 0.68 H new ATOM 0 HB3 LYS A 142 8.686 17.873 -0.002 1.00 0.68 H new ATOM 0 HG2 LYS A 142 10.167 16.342 1.839 1.00 0.81 H new ATOM 0 HG3 LYS A 142 9.446 15.134 0.794 1.00 0.81 H new ATOM 0 HD2 LYS A 142 11.503 15.684 -0.273 1.00 1.25 H new ATOM 0 HD3 LYS A 142 10.291 16.545 -1.200 1.00 1.25 H new ATOM 0 HE2 LYS A 142 10.768 18.633 0.086 1.00 2.16 H new ATOM 0 HE3 LYS A 142 11.951 17.778 1.056 1.00 2.16 H new ATOM 0 HZ1 LYS A 142 12.996 19.025 -0.704 1.00 3.06 H new ATOM 0 HZ2 LYS A 142 13.246 17.362 -0.941 1.00 3.06 H new ATOM 0 HZ3 LYS A 142 12.099 18.191 -1.880 1.00 3.06 H new