USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 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 X(o=-0.19,f=-0.19) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= -0.185 USER MOD Set 2.1: A 88 CYS SG : rot -117:sc= 1.43 USER MOD Set 2.2: A 137 TYR OH : rot -63:sc= 0.209 USER MOD Set 3.1: A 61 GLN : amide:sc= 1.13 K(o=0.76,f=-0.56) USER MOD Set 3.2: A 104 ASN : amide:sc= -0.367 X(o=0.76,f=0.77) USER MOD Set 4.1: A 45 THR OG1 : rot -85:sc= 2.25 USER MOD Set 4.2: A 121 LYS NZ :NH3+ 171:sc= 2.31 (180deg=0.951) USER MOD Set 5.1: A 40 ASN : amide:sc= 0.874 X(o=1.6,f=1.6) USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0.761 USER MOD Set 6.1: A 5 GLN : amide:sc= -1.58 K(o=-1.3,f=-8!) USER MOD Set 6.2: A 35 THR OG1 : rot 59:sc= 0.29 USER MOD Set 7.1: A 16 THR OG1 : rot 103:sc= 1.36 USER MOD Set 7.2: A 20 CYS SG : rot -157:sc= 2.24 USER MOD Set 7.3: A 69 TYR OH : rot 179:sc= 1.07 USER MOD Set 8.1: A 15 MET CE :methyl -174:sc= 0 (180deg=-0.048) USER MOD Set 8.2: A 17 CYS SG : rot 180:sc=-0.00902 USER MOD Set 9.1: A 10 MET CE :methyl 177:sc= 0 (180deg=-0.0166) USER MOD Set 9.2: A 73 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.213) USER MOD Single : A 11 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0344) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0615 F(o=-1.9!,f=-0.061) USER MOD Single : A 47 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.7) USER MOD Single : A 50 TYR OH : rot -50:sc= -0.57 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : A 57 THR OG1 : rot -125:sc= 0.0688 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 1.15 (180deg=-0.28) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 152:sc= -0.0827 (180deg=-2.51!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.48! C(o=-2.5!,f=-2.6!) USER MOD Single : A 124 SER OG : rot 16:sc= 0.888 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 129 LYS NZ :NH3+ 158:sc=-0.00897 (180deg=-0.505) USER MOD Single : A 134 LYS NZ :NH3+ 138:sc= 0.976 (180deg=-2.07!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 154:sc= 0.409 (180deg=-0.966!) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.631 -14.542 4.567 1.00 1.11 N ATOM 66 CA GLN A 5 0.634 -13.850 3.776 1.00 0.91 C ATOM 67 C GLN A 5 0.490 -12.415 4.271 1.00 0.98 C ATOM 68 O GLN A 5 0.289 -12.208 5.466 1.00 1.20 O ATOM 69 CB GLN A 5 -0.698 -14.588 3.949 1.00 0.98 C ATOM 70 CG GLN A 5 -0.656 -15.962 3.270 1.00 1.02 C ATOM 71 CD GLN A 5 -0.680 -15.795 1.759 1.00 1.27 C ATOM 72 OE1 GLN A 5 -1.465 -14.999 1.260 1.00 2.57 O ATOM 73 NE2 GLN A 5 0.163 -16.492 1.012 1.00 1.24 N ATOM 0 HA GLN A 5 0.928 -13.831 2.727 1.00 0.91 H new ATOM 0 HB2 GLN A 5 -0.916 -14.709 5.010 1.00 0.98 H new ATOM 0 HB3 GLN A 5 -1.506 -13.993 3.524 1.00 0.98 H new ATOM 0 HG2 GLN A 5 0.244 -16.498 3.571 1.00 1.02 H new ATOM 0 HG3 GLN A 5 -1.507 -16.562 3.592 1.00 1.02 H new ATOM 0 HE21 GLN A 5 0.808 -17.150 1.450 1.00 1.24 H new ATOM 0 HE22 GLN A 5 0.167 -16.371 -0.001 1.00 1.24 H new ATOM 82 N LYS A 6 0.564 -11.433 3.368 1.00 1.05 N ATOM 83 CA LYS A 6 0.134 -10.093 3.716 1.00 1.03 C ATOM 84 C LYS A 6 -1.338 -9.941 3.406 1.00 0.81 C ATOM 85 O LYS A 6 -1.864 -10.647 2.550 1.00 0.84 O ATOM 86 CB LYS A 6 0.909 -9.007 2.968 1.00 1.24 C ATOM 87 CG LYS A 6 0.465 -8.731 1.517 1.00 1.40 C ATOM 88 CD LYS A 6 1.179 -7.483 0.985 1.00 1.65 C ATOM 89 CE LYS A 6 2.578 -7.846 0.489 1.00 1.51 C ATOM 90 NZ LYS A 6 3.459 -6.668 0.358 1.00 2.52 N ATOM 0 H LYS A 6 0.910 -11.544 2.415 1.00 1.05 H new ATOM 0 HA LYS A 6 0.328 -9.963 4.781 1.00 1.03 H new ATOM 0 HB2 LYS A 6 0.829 -8.078 3.533 1.00 1.24 H new ATOM 0 HB3 LYS A 6 1.963 -9.284 2.957 1.00 1.24 H new ATOM 0 HG2 LYS A 6 0.696 -9.590 0.887 1.00 1.40 H new ATOM 0 HG3 LYS A 6 -0.615 -8.588 1.478 1.00 1.40 H new ATOM 0 HD2 LYS A 6 0.600 -7.043 0.173 1.00 1.65 H new ATOM 0 HD3 LYS A 6 1.248 -6.732 1.772 1.00 1.65 H new ATOM 0 HE2 LYS A 6 3.030 -8.558 1.179 1.00 1.51 H new ATOM 0 HE3 LYS A 6 2.499 -8.345 -0.477 1.00 1.51 H new ATOM 0 HZ1 LYS A 6 4.453 -6.971 0.405 1.00 2.52 H new ATOM 0 HZ2 LYS A 6 3.282 -6.202 -0.555 1.00 2.52 H new ATOM 0 HZ3 LYS A 6 3.263 -6.001 1.131 1.00 2.52 H new ATOM 104 N GLU A 7 -1.911 -8.911 4.010 1.00 0.88 N ATOM 105 CA GLU A 7 -3.156 -8.259 3.731 1.00 0.81 C ATOM 106 C GLU A 7 -2.762 -6.918 3.121 1.00 0.89 C ATOM 107 O GLU A 7 -1.776 -6.310 3.546 1.00 1.25 O ATOM 108 CB GLU A 7 -3.897 -8.028 5.060 1.00 0.98 C ATOM 109 CG GLU A 7 -3.632 -9.120 6.114 1.00 1.64 C ATOM 110 CD GLU A 7 -2.383 -8.882 6.979 1.00 2.15 C ATOM 111 OE1 GLU A 7 -1.403 -8.282 6.471 1.00 3.15 O ATOM 112 OE2 GLU A 7 -2.428 -9.312 8.149 1.00 2.59 O ATOM 0 H GLU A 7 -1.446 -8.468 4.803 1.00 0.88 H new ATOM 0 HA GLU A 7 -3.804 -8.835 3.071 1.00 0.81 H new ATOM 0 HB2 GLU A 7 -3.600 -7.062 5.468 1.00 0.98 H new ATOM 0 HB3 GLU A 7 -4.968 -7.976 4.865 1.00 0.98 H new ATOM 0 HG2 GLU A 7 -4.502 -9.196 6.767 1.00 1.64 H new ATOM 0 HG3 GLU A 7 -3.530 -10.079 5.607 1.00 1.64 H new ATOM 119 N ILE A 8 -3.504 -6.453 2.126 1.00 0.68 N ATOM 120 CA ILE A 8 -3.423 -5.078 1.667 1.00 0.75 C ATOM 121 C ILE A 8 -4.860 -4.564 1.653 1.00 0.66 C ATOM 122 O ILE A 8 -5.700 -5.229 1.050 1.00 0.53 O ATOM 123 CB ILE A 8 -2.713 -5.063 0.297 1.00 0.80 C ATOM 124 CG1 ILE A 8 -1.859 -3.806 0.122 1.00 1.07 C ATOM 125 CG2 ILE A 8 -3.668 -5.238 -0.886 1.00 1.10 C ATOM 126 CD1 ILE A 8 -0.498 -4.017 0.790 1.00 2.47 C ATOM 0 H ILE A 8 -4.180 -7.021 1.615 1.00 0.68 H new ATOM 0 HA ILE A 8 -2.833 -4.419 2.304 1.00 0.75 H new ATOM 0 HB ILE A 8 -2.057 -5.933 0.296 1.00 0.80 H new ATOM 0 HG12 ILE A 8 -1.726 -3.588 -0.938 1.00 1.07 H new ATOM 0 HG13 ILE A 8 -2.363 -2.946 0.563 1.00 1.07 H new ATOM 0 HG21 ILE A 8 -3.102 -5.218 -1.817 1.00 1.10 H new ATOM 0 HG22 ILE A 8 -4.186 -6.193 -0.797 1.00 1.10 H new ATOM 0 HG23 ILE A 8 -4.398 -4.428 -0.888 1.00 1.10 H new ATOM 0 HD11 ILE A 8 0.111 -3.122 0.666 1.00 2.47 H new ATOM 0 HD12 ILE A 8 -0.641 -4.214 1.852 1.00 2.47 H new ATOM 0 HD13 ILE A 8 0.006 -4.866 0.328 1.00 2.47 H new ATOM 138 N ALA A 9 -5.169 -3.453 2.336 1.00 0.79 N ATOM 139 CA ALA A 9 -6.529 -2.925 2.406 1.00 0.65 C ATOM 140 C ALA A 9 -6.534 -1.513 1.827 1.00 0.59 C ATOM 141 O ALA A 9 -5.935 -0.618 2.414 1.00 0.67 O ATOM 142 CB ALA A 9 -7.013 -2.938 3.858 1.00 0.70 C ATOM 0 H ALA A 9 -4.483 -2.901 2.851 1.00 0.79 H new ATOM 0 HA ALA A 9 -7.212 -3.545 1.824 1.00 0.65 H new ATOM 0 HB1 ALA A 9 -8.028 -2.543 3.907 1.00 0.70 H new ATOM 0 HB2 ALA A 9 -7.003 -3.960 4.236 1.00 0.70 H new ATOM 0 HB3 ALA A 9 -6.354 -2.319 4.467 1.00 0.70 H new ATOM 148 N MET A 10 -7.133 -1.322 0.649 1.00 0.58 N ATOM 149 CA MET A 10 -7.095 -0.067 -0.094 1.00 0.64 C ATOM 150 C MET A 10 -8.503 0.257 -0.616 1.00 0.59 C ATOM 151 O MET A 10 -9.327 -0.639 -0.773 1.00 0.68 O ATOM 152 CB MET A 10 -6.087 -0.215 -1.249 1.00 0.68 C ATOM 153 CG MET A 10 -4.629 -0.353 -0.769 1.00 0.86 C ATOM 154 SD MET A 10 -3.508 -1.250 -1.878 1.00 1.89 S ATOM 155 CE MET A 10 -3.719 -0.341 -3.423 1.00 2.16 C ATOM 0 H MET A 10 -7.668 -2.052 0.178 1.00 0.58 H new ATOM 0 HA MET A 10 -6.777 0.756 0.547 1.00 0.64 H new ATOM 0 HB2 MET A 10 -6.351 -1.090 -1.843 1.00 0.68 H new ATOM 0 HB3 MET A 10 -6.166 0.652 -1.905 1.00 0.68 H new ATOM 0 HG2 MET A 10 -4.225 0.646 -0.607 1.00 0.86 H new ATOM 0 HG3 MET A 10 -4.632 -0.857 0.198 1.00 0.86 H new ATOM 0 HE1 MET A 10 -3.049 -0.749 -4.180 1.00 2.16 H new ATOM 0 HE2 MET A 10 -4.751 -0.435 -3.762 1.00 2.16 H new ATOM 0 HE3 MET A 10 -3.485 0.711 -3.261 1.00 2.16 H new ATOM 165 N GLN A 11 -8.785 1.531 -0.898 1.00 0.50 N ATOM 166 CA GLN A 11 -10.038 1.986 -1.491 1.00 0.45 C ATOM 167 C GLN A 11 -9.901 2.059 -3.013 1.00 0.45 C ATOM 168 O GLN A 11 -8.960 2.678 -3.518 1.00 0.58 O ATOM 169 CB GLN A 11 -10.427 3.358 -0.925 1.00 0.50 C ATOM 170 CG GLN A 11 -11.904 3.675 -1.201 1.00 1.62 C ATOM 171 CD GLN A 11 -12.269 5.100 -0.801 1.00 1.75 C ATOM 172 OE1 GLN A 11 -11.617 6.054 -1.209 1.00 2.15 O ATOM 173 NE2 GLN A 11 -13.277 5.263 0.050 1.00 2.24 N ATOM 0 H GLN A 11 -8.130 2.291 -0.715 1.00 0.50 H new ATOM 0 HA GLN A 11 -10.824 1.273 -1.243 1.00 0.45 H new ATOM 0 HB2 GLN A 11 -10.243 3.376 0.149 1.00 0.50 H new ATOM 0 HB3 GLN A 11 -9.798 4.129 -1.369 1.00 0.50 H new ATOM 0 HG2 GLN A 11 -12.113 3.532 -2.261 1.00 1.62 H new ATOM 0 HG3 GLN A 11 -12.533 2.973 -0.654 1.00 1.62 H new ATOM 0 HE21 GLN A 11 -13.805 4.454 0.376 1.00 2.24 H new ATOM 0 HE22 GLN A 11 -13.522 6.197 0.377 1.00 2.24 H new ATOM 182 N VAL A 12 -10.859 1.461 -3.728 1.00 0.40 N ATOM 183 CA VAL A 12 -10.958 1.452 -5.175 1.00 0.40 C ATOM 184 C VAL A 12 -12.278 2.115 -5.573 1.00 0.32 C ATOM 185 O VAL A 12 -13.276 1.956 -4.872 1.00 0.39 O ATOM 186 CB VAL A 12 -10.835 0.000 -5.669 1.00 0.52 C ATOM 187 CG1 VAL A 12 -11.926 -0.917 -5.104 1.00 0.58 C ATOM 188 CG2 VAL A 12 -10.895 -0.064 -7.193 1.00 0.62 C ATOM 0 H VAL A 12 -11.620 0.947 -3.283 1.00 0.40 H new ATOM 0 HA VAL A 12 -10.154 2.019 -5.644 1.00 0.40 H new ATOM 0 HB VAL A 12 -9.868 -0.353 -5.310 1.00 0.52 H new ATOM 0 HG11 VAL A 12 -11.787 -1.928 -5.488 1.00 0.58 H new ATOM 0 HG12 VAL A 12 -11.863 -0.930 -4.016 1.00 0.58 H new ATOM 0 HG13 VAL A 12 -12.905 -0.546 -5.406 1.00 0.58 H new ATOM 0 HG21 VAL A 12 -10.806 -1.101 -7.517 1.00 0.62 H new ATOM 0 HG22 VAL A 12 -11.846 0.344 -7.537 1.00 0.62 H new ATOM 0 HG23 VAL A 12 -10.076 0.520 -7.614 1.00 0.62 H new ATOM 198 N SER A 13 -12.278 2.862 -6.680 1.00 0.36 N ATOM 199 CA SER A 13 -13.454 3.537 -7.217 1.00 0.40 C ATOM 200 C SER A 13 -13.865 2.923 -8.551 1.00 0.49 C ATOM 201 O SER A 13 -13.112 2.155 -9.145 1.00 0.69 O ATOM 202 CB SER A 13 -13.140 5.008 -7.463 1.00 0.61 C ATOM 203 OG SER A 13 -12.525 5.591 -6.334 1.00 0.90 O ATOM 0 H SER A 13 -11.438 3.016 -7.238 1.00 0.36 H new ATOM 0 HA SER A 13 -14.261 3.429 -6.492 1.00 0.40 H new ATOM 0 HB2 SER A 13 -12.484 5.103 -8.328 1.00 0.61 H new ATOM 0 HB3 SER A 13 -14.059 5.545 -7.699 1.00 0.61 H new ATOM 0 HG SER A 13 -12.332 6.534 -6.517 1.00 0.90 H new ATOM 209 N GLY A 14 -15.051 3.311 -9.031 1.00 0.52 N ATOM 210 CA GLY A 14 -15.635 2.810 -10.268 1.00 0.66 C ATOM 211 C GLY A 14 -16.516 1.589 -10.009 1.00 0.69 C ATOM 212 O GLY A 14 -17.207 1.122 -10.910 1.00 0.86 O ATOM 0 H GLY A 14 -15.639 3.996 -8.557 1.00 0.52 H new ATOM 0 HA2 GLY A 14 -16.227 3.595 -10.738 1.00 0.66 H new ATOM 0 HA3 GLY A 14 -14.841 2.547 -10.967 1.00 0.66 H new ATOM 216 N MET A 15 -16.498 1.064 -8.781 1.00 0.68 N ATOM 217 CA MET A 15 -17.292 -0.110 -8.446 1.00 0.86 C ATOM 218 C MET A 15 -18.792 0.203 -8.470 1.00 0.80 C ATOM 219 O MET A 15 -19.259 1.086 -7.759 1.00 1.02 O ATOM 220 CB MET A 15 -16.900 -0.669 -7.074 1.00 1.05 C ATOM 221 CG MET A 15 -15.474 -1.225 -7.044 1.00 1.23 C ATOM 222 SD MET A 15 -15.139 -2.342 -5.656 1.00 1.66 S ATOM 223 CE MET A 15 -15.534 -1.282 -4.244 1.00 2.36 C ATOM 0 H MET A 15 -15.944 1.435 -8.009 1.00 0.68 H new ATOM 0 HA MET A 15 -17.084 -0.864 -9.205 1.00 0.86 H new ATOM 0 HB2 MET A 15 -16.994 0.118 -6.326 1.00 1.05 H new ATOM 0 HB3 MET A 15 -17.598 -1.458 -6.795 1.00 1.05 H new ATOM 0 HG2 MET A 15 -15.284 -1.756 -7.977 1.00 1.23 H new ATOM 0 HG3 MET A 15 -14.772 -0.392 -7.003 1.00 1.23 H new ATOM 0 HE1 MET A 15 -15.274 -1.797 -3.319 1.00 2.36 H new ATOM 0 HE2 MET A 15 -14.966 -0.355 -4.315 1.00 2.36 H new ATOM 0 HE3 MET A 15 -16.600 -1.055 -4.246 1.00 2.36 H new ATOM 233 N THR A 16 -19.559 -0.588 -9.226 1.00 0.84 N ATOM 234 CA THR A 16 -21.008 -0.689 -9.078 1.00 1.10 C ATOM 235 C THR A 16 -21.378 -1.376 -7.755 1.00 1.20 C ATOM 236 O THR A 16 -22.529 -1.315 -7.336 1.00 1.51 O ATOM 237 CB THR A 16 -21.582 -1.435 -10.293 1.00 1.66 C ATOM 238 OG1 THR A 16 -21.034 -0.881 -11.470 1.00 1.89 O ATOM 239 CG2 THR A 16 -23.108 -1.362 -10.396 1.00 2.18 C ATOM 0 H THR A 16 -19.184 -1.182 -9.966 1.00 0.84 H new ATOM 0 HA THR A 16 -21.445 0.309 -9.043 1.00 1.10 H new ATOM 0 HB THR A 16 -21.316 -2.484 -10.168 1.00 1.66 H new ATOM 0 HG1 THR A 16 -20.337 -1.476 -11.818 1.00 1.89 H new ATOM 0 HG21 THR A 16 -23.440 -1.911 -11.277 1.00 2.18 H new ATOM 0 HG22 THR A 16 -23.554 -1.803 -9.505 1.00 2.18 H new ATOM 0 HG23 THR A 16 -23.418 -0.320 -10.480 1.00 2.18 H new ATOM 247 N CYS A 17 -20.412 -2.042 -7.108 1.00 1.31 N ATOM 248 CA CYS A 17 -20.556 -2.605 -5.765 1.00 1.98 C ATOM 249 C CYS A 17 -21.475 -3.821 -5.823 1.00 1.72 C ATOM 250 O CYS A 17 -22.379 -3.998 -5.011 1.00 2.97 O ATOM 251 CB CYS A 17 -20.979 -1.553 -4.720 1.00 3.31 C ATOM 252 SG CYS A 17 -19.597 -0.432 -4.395 1.00 5.27 S ATOM 0 H CYS A 17 -19.491 -2.206 -7.515 1.00 1.31 H new ATOM 0 HA CYS A 17 -19.580 -2.943 -5.416 1.00 1.98 H new ATOM 0 HB2 CYS A 17 -21.839 -0.991 -5.083 1.00 3.31 H new ATOM 0 HB3 CYS A 17 -21.286 -2.045 -3.797 1.00 3.31 H new ATOM 0 HG CYS A 17 -19.956 0.456 -3.516 1.00 5.27 H new ATOM 258 N ALA A 18 -21.189 -4.681 -6.803 1.00 1.38 N ATOM 259 CA ALA A 18 -21.833 -5.960 -7.029 1.00 1.62 C ATOM 260 C ALA A 18 -20.910 -6.756 -7.957 1.00 1.55 C ATOM 261 O ALA A 18 -19.791 -7.104 -7.572 1.00 2.55 O ATOM 262 CB ALA A 18 -23.245 -5.735 -7.598 1.00 2.30 C ATOM 0 H ALA A 18 -20.463 -4.486 -7.492 1.00 1.38 H new ATOM 0 HA ALA A 18 -21.978 -6.530 -6.111 1.00 1.62 H new ATOM 0 HB1 ALA A 18 -23.727 -6.698 -7.767 1.00 2.30 H new ATOM 0 HB2 ALA A 18 -23.835 -5.154 -6.889 1.00 2.30 H new ATOM 0 HB3 ALA A 18 -23.175 -5.194 -8.542 1.00 2.30 H new ATOM 268 N ALA A 19 -21.329 -6.967 -9.208 1.00 0.96 N ATOM 269 CA ALA A 19 -20.556 -7.686 -10.209 1.00 0.93 C ATOM 270 C ALA A 19 -19.148 -7.113 -10.382 1.00 0.75 C ATOM 271 O ALA A 19 -18.221 -7.869 -10.649 1.00 0.74 O ATOM 272 CB ALA A 19 -21.306 -7.680 -11.544 1.00 1.27 C ATOM 0 H ALA A 19 -22.230 -6.635 -9.553 1.00 0.96 H new ATOM 0 HA ALA A 19 -20.437 -8.712 -9.860 1.00 0.93 H new ATOM 0 HB1 ALA A 19 -20.724 -8.219 -12.291 1.00 1.27 H new ATOM 0 HB2 ALA A 19 -22.274 -8.165 -11.419 1.00 1.27 H new ATOM 0 HB3 ALA A 19 -21.455 -6.652 -11.873 1.00 1.27 H new ATOM 278 N CYS A 20 -18.972 -5.795 -10.242 1.00 0.66 N ATOM 279 CA CYS A 20 -17.687 -5.141 -10.453 1.00 0.62 C ATOM 280 C CYS A 20 -16.703 -5.641 -9.409 1.00 0.51 C ATOM 281 O CYS A 20 -15.646 -6.184 -9.723 1.00 0.53 O ATOM 282 CB CYS A 20 -17.856 -3.627 -10.312 1.00 0.65 C ATOM 283 SG CYS A 20 -18.720 -2.963 -11.750 1.00 0.87 S ATOM 0 H CYS A 20 -19.721 -5.155 -9.979 1.00 0.66 H new ATOM 0 HA CYS A 20 -17.315 -5.370 -11.452 1.00 0.62 H new ATOM 0 HB2 CYS A 20 -18.415 -3.399 -9.405 1.00 0.65 H new ATOM 0 HB3 CYS A 20 -16.880 -3.152 -10.213 1.00 0.65 H new ATOM 0 HG CYS A 20 -18.445 -1.699 -11.876 1.00 0.87 H new ATOM 289 N ALA A 21 -17.095 -5.470 -8.148 1.00 0.46 N ATOM 290 CA ALA A 21 -16.333 -5.904 -6.998 1.00 0.52 C ATOM 291 C ALA A 21 -15.997 -7.390 -7.153 1.00 0.59 C ATOM 292 O ALA A 21 -14.832 -7.781 -7.136 1.00 0.61 O ATOM 293 CB ALA A 21 -17.165 -5.587 -5.750 1.00 0.74 C ATOM 0 H ALA A 21 -17.973 -5.014 -7.901 1.00 0.46 H new ATOM 0 HA ALA A 21 -15.379 -5.384 -6.906 1.00 0.52 H new ATOM 0 HB1 ALA A 21 -16.620 -5.902 -4.860 1.00 0.74 H new ATOM 0 HB2 ALA A 21 -17.352 -4.514 -5.700 1.00 0.74 H new ATOM 0 HB3 ALA A 21 -18.115 -6.119 -5.801 1.00 0.74 H new ATOM 299 N ALA A 22 -17.019 -8.215 -7.396 1.00 0.68 N ATOM 300 CA ALA A 22 -16.819 -9.647 -7.588 1.00 0.81 C ATOM 301 C ALA A 22 -15.862 -9.940 -8.750 1.00 0.76 C ATOM 302 O ALA A 22 -15.033 -10.842 -8.648 1.00 0.82 O ATOM 303 CB ALA A 22 -18.170 -10.331 -7.802 1.00 0.99 C ATOM 0 H ALA A 22 -17.991 -7.913 -7.464 1.00 0.68 H new ATOM 0 HA ALA A 22 -16.353 -10.050 -6.689 1.00 0.81 H new ATOM 0 HB1 ALA A 22 -18.018 -11.401 -7.945 1.00 0.99 H new ATOM 0 HB2 ALA A 22 -18.803 -10.168 -6.929 1.00 0.99 H new ATOM 0 HB3 ALA A 22 -18.654 -9.912 -8.684 1.00 0.99 H new ATOM 309 N ARG A 23 -15.967 -9.196 -9.857 1.00 0.71 N ATOM 310 CA ARG A 23 -15.096 -9.352 -11.007 1.00 0.74 C ATOM 311 C ARG A 23 -13.657 -9.098 -10.599 1.00 0.62 C ATOM 312 O ARG A 23 -12.776 -9.856 -11.003 1.00 0.65 O ATOM 313 CB ARG A 23 -15.491 -8.403 -12.153 1.00 0.79 C ATOM 314 CG ARG A 23 -16.355 -9.094 -13.210 1.00 0.96 C ATOM 315 CD ARG A 23 -15.558 -10.219 -13.893 1.00 1.06 C ATOM 316 NE ARG A 23 -15.670 -10.174 -15.361 1.00 1.20 N ATOM 317 CZ ARG A 23 -16.740 -10.558 -16.076 1.00 2.29 C ATOM 318 NH1 ARG A 23 -17.836 -10.988 -15.443 1.00 4.03 N ATOM 319 NH2 ARG A 23 -16.707 -10.510 -17.413 1.00 2.23 N ATOM 0 H ARG A 23 -16.668 -8.464 -9.972 1.00 0.71 H new ATOM 0 HA ARG A 23 -15.201 -10.374 -11.371 1.00 0.74 H new ATOM 0 HB2 ARG A 23 -16.034 -7.550 -11.745 1.00 0.79 H new ATOM 0 HB3 ARG A 23 -14.589 -8.011 -12.624 1.00 0.79 H new ATOM 0 HG2 ARG A 23 -17.252 -9.504 -12.746 1.00 0.96 H new ATOM 0 HG3 ARG A 23 -16.684 -8.368 -13.953 1.00 0.96 H new ATOM 0 HD2 ARG A 23 -14.509 -10.142 -13.609 1.00 1.06 H new ATOM 0 HD3 ARG A 23 -15.915 -11.184 -13.533 1.00 1.06 H new ATOM 0 HE ARG A 23 -14.866 -9.821 -15.879 1.00 1.20 H new ATOM 0 HH11 ARG A 23 -17.856 -11.023 -14.424 1.00 4.03 H new ATOM 0 HH12 ARG A 23 -18.653 -11.281 -15.979 1.00 4.03 H new ATOM 0 HH21 ARG A 23 -15.868 -10.181 -17.891 1.00 2.23 H new ATOM 0 HH22 ARG A 23 -17.521 -10.802 -17.954 1.00 2.23 H new ATOM 333 N ILE A 24 -13.412 -8.044 -9.818 1.00 0.51 N ATOM 334 CA ILE A 24 -12.078 -7.762 -9.341 1.00 0.46 C ATOM 335 C ILE A 24 -11.599 -8.961 -8.528 1.00 0.42 C ATOM 336 O ILE A 24 -10.620 -9.591 -8.916 1.00 0.44 O ATOM 337 CB ILE A 24 -12.044 -6.423 -8.591 1.00 0.44 C ATOM 338 CG1 ILE A 24 -12.423 -5.280 -9.557 1.00 0.59 C ATOM 339 CG2 ILE A 24 -10.660 -6.159 -8.019 1.00 0.49 C ATOM 340 CD1 ILE A 24 -12.739 -3.968 -8.842 1.00 0.49 C ATOM 0 H ILE A 24 -14.123 -7.381 -9.510 1.00 0.51 H new ATOM 0 HA ILE A 24 -11.377 -7.632 -10.166 1.00 0.46 H new ATOM 0 HB ILE A 24 -12.759 -6.469 -7.770 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -11.603 -5.117 -10.256 1.00 0.59 H new ATOM 0 HG13 ILE A 24 -13.289 -5.583 -10.146 1.00 0.59 H new ATOM 0 HG21 ILE A 24 -10.660 -5.205 -7.492 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -10.395 -6.957 -7.325 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -9.932 -6.126 -8.829 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -12.998 -3.206 -9.577 1.00 0.49 H new ATOM 0 HD12 ILE A 24 -13.579 -4.117 -8.163 1.00 0.49 H new ATOM 0 HD13 ILE A 24 -11.867 -3.644 -8.275 1.00 0.49 H new ATOM 352 N GLU A 25 -12.299 -9.340 -7.459 1.00 0.48 N ATOM 353 CA GLU A 25 -11.819 -10.404 -6.591 1.00 0.58 C ATOM 354 C GLU A 25 -11.609 -11.715 -7.352 1.00 0.61 C ATOM 355 O GLU A 25 -10.603 -12.395 -7.155 1.00 0.60 O ATOM 356 CB GLU A 25 -12.770 -10.561 -5.401 1.00 0.89 C ATOM 357 CG GLU A 25 -12.967 -9.234 -4.654 1.00 0.88 C ATOM 358 CD GLU A 25 -11.679 -8.444 -4.460 1.00 2.81 C ATOM 359 OE1 GLU A 25 -10.778 -8.991 -3.791 1.00 3.69 O ATOM 360 OE2 GLU A 25 -11.607 -7.332 -5.024 1.00 3.97 O ATOM 0 H GLU A 25 -13.190 -8.929 -7.179 1.00 0.48 H new ATOM 0 HA GLU A 25 -10.836 -10.129 -6.208 1.00 0.58 H new ATOM 0 HB2 GLU A 25 -13.735 -10.928 -5.752 1.00 0.89 H new ATOM 0 HB3 GLU A 25 -12.374 -11.310 -4.715 1.00 0.89 H new ATOM 0 HG2 GLU A 25 -13.680 -8.620 -5.204 1.00 0.88 H new ATOM 0 HG3 GLU A 25 -13.408 -9.438 -3.678 1.00 0.88 H new ATOM 367 N LYS A 26 -12.531 -12.071 -8.248 1.00 0.69 N ATOM 368 CA LYS A 26 -12.398 -13.242 -9.090 1.00 0.77 C ATOM 369 C LYS A 26 -11.181 -13.115 -10.015 1.00 0.71 C ATOM 370 O LYS A 26 -10.425 -14.073 -10.174 1.00 0.77 O ATOM 371 CB LYS A 26 -13.715 -13.464 -9.842 1.00 0.93 C ATOM 372 CG LYS A 26 -13.583 -14.613 -10.844 1.00 0.91 C ATOM 373 CD LYS A 26 -14.891 -15.403 -11.009 1.00 1.53 C ATOM 374 CE LYS A 26 -15.085 -16.465 -9.912 1.00 3.07 C ATOM 375 NZ LYS A 26 -14.170 -17.619 -10.066 1.00 4.32 N ATOM 0 H LYS A 26 -13.392 -11.547 -8.404 1.00 0.69 H new ATOM 0 HA LYS A 26 -12.211 -14.127 -8.482 1.00 0.77 H new ATOM 0 HB2 LYS A 26 -14.512 -13.685 -9.132 1.00 0.93 H new ATOM 0 HB3 LYS A 26 -13.999 -12.551 -10.365 1.00 0.93 H new ATOM 0 HG2 LYS A 26 -13.279 -14.214 -11.812 1.00 0.91 H new ATOM 0 HG3 LYS A 26 -12.793 -15.289 -10.515 1.00 0.91 H new ATOM 0 HD2 LYS A 26 -15.733 -14.711 -10.992 1.00 1.53 H new ATOM 0 HD3 LYS A 26 -14.897 -15.889 -11.985 1.00 1.53 H new ATOM 0 HE2 LYS A 26 -14.924 -16.007 -8.936 1.00 3.07 H new ATOM 0 HE3 LYS A 26 -16.116 -16.819 -9.932 1.00 3.07 H new ATOM 0 HZ1 LYS A 26 -14.442 -18.369 -9.399 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -14.230 -17.982 -11.039 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -13.195 -17.317 -9.868 1.00 4.32 H new ATOM 389 N GLY A 27 -10.996 -11.952 -10.639 1.00 0.64 N ATOM 390 CA GLY A 27 -9.859 -11.683 -11.505 1.00 0.63 C ATOM 391 C GLY A 27 -8.548 -11.784 -10.728 1.00 0.55 C ATOM 392 O GLY A 27 -7.565 -12.326 -11.222 1.00 0.60 O ATOM 0 H GLY A 27 -11.640 -11.166 -10.554 1.00 0.64 H new ATOM 0 HA2 GLY A 27 -9.851 -12.392 -12.333 1.00 0.63 H new ATOM 0 HA3 GLY A 27 -9.954 -10.687 -11.938 1.00 0.63 H new ATOM 396 N LEU A 28 -8.524 -11.270 -9.502 1.00 0.46 N ATOM 397 CA LEU A 28 -7.351 -11.307 -8.650 1.00 0.41 C ATOM 398 C LEU A 28 -7.094 -12.748 -8.191 1.00 0.45 C ATOM 399 O LEU A 28 -5.949 -13.189 -8.206 1.00 0.46 O ATOM 400 CB LEU A 28 -7.490 -10.279 -7.506 1.00 0.43 C ATOM 401 CG LEU A 28 -7.037 -8.843 -7.876 1.00 0.50 C ATOM 402 CD1 LEU A 28 -5.514 -8.785 -8.035 1.00 1.42 C ATOM 403 CD2 LEU A 28 -7.742 -8.237 -9.094 1.00 1.57 C ATOM 0 H LEU A 28 -9.328 -10.813 -9.073 1.00 0.46 H new ATOM 0 HA LEU A 28 -6.460 -11.005 -9.201 1.00 0.41 H new ATOM 0 HB2 LEU A 28 -8.532 -10.247 -7.187 1.00 0.43 H new ATOM 0 HB3 LEU A 28 -6.906 -10.623 -6.652 1.00 0.43 H new ATOM 0 HG LEU A 28 -7.344 -8.217 -7.038 1.00 0.50 H new ATOM 0 HD11 LEU A 28 -5.214 -7.770 -8.295 1.00 1.42 H new ATOM 0 HD12 LEU A 28 -5.039 -9.075 -7.098 1.00 1.42 H new ATOM 0 HD13 LEU A 28 -5.204 -9.468 -8.826 1.00 1.42 H new ATOM 0 HD21 LEU A 28 -7.359 -7.233 -9.274 1.00 1.57 H new ATOM 0 HD22 LEU A 28 -7.555 -8.859 -9.969 1.00 1.57 H new ATOM 0 HD23 LEU A 28 -8.815 -8.188 -8.906 1.00 1.57 H new ATOM 415 N LYS A 29 -8.141 -13.527 -7.889 1.00 0.50 N ATOM 416 CA LYS A 29 -8.026 -14.960 -7.602 1.00 0.58 C ATOM 417 C LYS A 29 -7.320 -15.748 -8.717 1.00 0.62 C ATOM 418 O LYS A 29 -6.902 -16.877 -8.480 1.00 0.67 O ATOM 419 CB LYS A 29 -9.389 -15.600 -7.249 1.00 0.70 C ATOM 420 CG LYS A 29 -9.490 -16.018 -5.771 1.00 0.96 C ATOM 421 CD LYS A 29 -9.865 -14.819 -4.888 1.00 1.23 C ATOM 422 CE LYS A 29 -11.390 -14.659 -4.732 1.00 1.31 C ATOM 423 NZ LYS A 29 -11.913 -15.375 -3.547 1.00 1.71 N ATOM 0 H LYS A 29 -9.098 -13.177 -7.837 1.00 0.50 H new ATOM 0 HA LYS A 29 -7.389 -15.025 -6.720 1.00 0.58 H new ATOM 0 HB2 LYS A 29 -10.187 -14.893 -7.477 1.00 0.70 H new ATOM 0 HB3 LYS A 29 -9.549 -16.474 -7.880 1.00 0.70 H new ATOM 0 HG2 LYS A 29 -10.237 -16.804 -5.661 1.00 0.96 H new ATOM 0 HG3 LYS A 29 -8.539 -16.435 -5.441 1.00 0.96 H new ATOM 0 HD2 LYS A 29 -9.413 -14.940 -3.904 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -9.449 -13.909 -5.320 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -11.635 -13.600 -4.651 1.00 1.31 H new ATOM 0 HE3 LYS A 29 -11.886 -15.033 -5.628 1.00 1.31 H new ATOM 0 HZ1 LYS A 29 -12.942 -15.238 -3.485 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 -11.704 -16.390 -3.634 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 -11.461 -15.001 -2.688 1.00 1.71 H new ATOM 437 N ARG A 30 -7.203 -15.204 -9.935 1.00 0.62 N ATOM 438 CA ARG A 30 -6.405 -15.840 -10.978 1.00 0.70 C ATOM 439 C ARG A 30 -4.935 -15.986 -10.556 1.00 0.70 C ATOM 440 O ARG A 30 -4.244 -16.878 -11.045 1.00 0.81 O ATOM 441 CB ARG A 30 -6.499 -15.031 -12.281 1.00 0.76 C ATOM 442 CG ARG A 30 -6.560 -15.930 -13.524 1.00 0.89 C ATOM 443 CD ARG A 30 -8.008 -16.373 -13.784 1.00 1.47 C ATOM 444 NE ARG A 30 -8.094 -17.305 -14.921 1.00 1.94 N ATOM 445 CZ ARG A 30 -9.226 -17.625 -15.573 1.00 2.52 C ATOM 446 NH1 ARG A 30 -10.387 -17.067 -15.210 1.00 3.23 N ATOM 447 NH2 ARG A 30 -9.196 -18.502 -16.583 1.00 3.00 N ATOM 0 H ARG A 30 -7.649 -14.331 -10.216 1.00 0.62 H new ATOM 0 HA ARG A 30 -6.807 -16.840 -11.141 1.00 0.70 H new ATOM 0 HB2 ARG A 30 -7.386 -14.398 -12.250 1.00 0.76 H new ATOM 0 HB3 ARG A 30 -5.637 -14.368 -12.357 1.00 0.76 H new ATOM 0 HG2 ARG A 30 -6.175 -15.393 -14.390 1.00 0.89 H new ATOM 0 HG3 ARG A 30 -5.924 -16.804 -13.382 1.00 0.89 H new ATOM 0 HD2 ARG A 30 -8.409 -16.851 -12.890 1.00 1.47 H new ATOM 0 HD3 ARG A 30 -8.627 -15.498 -13.983 1.00 1.47 H new ATOM 0 HE ARG A 30 -7.228 -17.741 -15.238 1.00 1.94 H new ATOM 0 HH11 ARG A 30 -10.413 -16.399 -14.439 1.00 3.23 H new ATOM 0 HH12 ARG A 30 -11.246 -17.309 -15.704 1.00 3.23 H new ATOM 0 HH21 ARG A 30 -8.313 -18.930 -16.861 1.00 3.00 H new ATOM 0 HH22 ARG A 30 -10.056 -18.742 -17.075 1.00 3.00 H new ATOM 461 N MET A 31 -4.437 -15.077 -9.712 1.00 0.60 N ATOM 462 CA MET A 31 -3.042 -15.060 -9.289 1.00 0.61 C ATOM 463 C MET A 31 -2.782 -16.172 -8.266 1.00 0.60 C ATOM 464 O MET A 31 -3.663 -16.472 -7.464 1.00 0.63 O ATOM 465 CB MET A 31 -2.724 -13.693 -8.677 1.00 0.57 C ATOM 466 CG MET A 31 -2.696 -12.592 -9.742 1.00 0.68 C ATOM 467 SD MET A 31 -1.088 -12.425 -10.559 1.00 1.01 S ATOM 468 CE MET A 31 -1.435 -11.052 -11.674 1.00 1.57 C ATOM 0 H MET A 31 -4.998 -14.330 -9.303 1.00 0.60 H new ATOM 0 HA MET A 31 -2.398 -15.233 -10.152 1.00 0.61 H new ATOM 0 HB2 MET A 31 -3.470 -13.450 -7.921 1.00 0.57 H new ATOM 0 HB3 MET A 31 -1.759 -13.736 -8.171 1.00 0.57 H new ATOM 0 HG2 MET A 31 -3.457 -12.803 -10.493 1.00 0.68 H new ATOM 0 HG3 MET A 31 -2.961 -11.641 -9.279 1.00 0.68 H new ATOM 0 HE1 MET A 31 -0.542 -10.820 -12.255 1.00 1.57 H new ATOM 0 HE2 MET A 31 -2.246 -11.327 -12.349 1.00 1.57 H new ATOM 0 HE3 MET A 31 -1.727 -10.177 -11.094 1.00 1.57 H new ATOM 478 N PRO A 32 -1.579 -16.769 -8.257 1.00 0.68 N ATOM 479 CA PRO A 32 -1.243 -17.852 -7.346 1.00 0.71 C ATOM 480 C PRO A 32 -1.129 -17.360 -5.899 1.00 0.75 C ATOM 481 O PRO A 32 -1.649 -18.006 -4.993 1.00 1.26 O ATOM 482 CB PRO A 32 0.069 -18.437 -7.876 1.00 0.86 C ATOM 483 CG PRO A 32 0.724 -17.260 -8.597 1.00 0.92 C ATOM 484 CD PRO A 32 -0.472 -16.490 -9.158 1.00 0.80 C ATOM 0 HA PRO A 32 -2.023 -18.613 -7.314 1.00 0.71 H new ATOM 0 HB2 PRO A 32 0.697 -18.811 -7.067 1.00 0.86 H new ATOM 0 HB3 PRO A 32 -0.109 -19.272 -8.553 1.00 0.86 H new ATOM 0 HG2 PRO A 32 1.314 -16.648 -7.916 1.00 0.92 H new ATOM 0 HG3 PRO A 32 1.395 -17.594 -9.388 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -0.263 -15.421 -9.202 1.00 0.80 H new ATOM 0 HD3 PRO A 32 -0.703 -16.812 -10.173 1.00 0.80 H new ATOM 492 N GLY A 33 -0.477 -16.213 -5.669 1.00 0.64 N ATOM 493 CA GLY A 33 -0.193 -15.742 -4.326 1.00 0.61 C ATOM 494 C GLY A 33 -1.480 -15.390 -3.601 1.00 0.53 C ATOM 495 O GLY A 33 -1.564 -15.594 -2.391 1.00 0.56 O ATOM 0 H GLY A 33 -0.138 -15.597 -6.408 1.00 0.64 H new ATOM 0 HA2 GLY A 33 0.345 -16.511 -3.771 1.00 0.61 H new ATOM 0 HA3 GLY A 33 0.457 -14.868 -4.371 1.00 0.61 H new ATOM 499 N VAL A 34 -2.450 -14.838 -4.347 1.00 0.59 N ATOM 500 CA VAL A 34 -3.776 -14.474 -3.869 1.00 0.49 C ATOM 501 C VAL A 34 -4.401 -15.643 -3.125 1.00 0.48 C ATOM 502 O VAL A 34 -4.998 -16.542 -3.713 1.00 0.68 O ATOM 503 CB VAL A 34 -4.639 -13.901 -5.005 1.00 0.55 C ATOM 504 CG1 VAL A 34 -6.082 -13.680 -4.541 1.00 1.39 C ATOM 505 CG2 VAL A 34 -4.069 -12.538 -5.426 1.00 1.23 C ATOM 0 H VAL A 34 -2.318 -14.628 -5.337 1.00 0.59 H new ATOM 0 HA VAL A 34 -3.699 -13.663 -3.144 1.00 0.49 H new ATOM 0 HB VAL A 34 -4.629 -14.611 -5.832 1.00 0.55 H new ATOM 0 HG11 VAL A 34 -6.671 -13.274 -5.364 1.00 1.39 H new ATOM 0 HG12 VAL A 34 -6.511 -14.630 -4.222 1.00 1.39 H new ATOM 0 HG13 VAL A 34 -6.093 -12.978 -3.707 1.00 1.39 H new ATOM 0 HG21 VAL A 34 -4.675 -12.123 -6.232 1.00 1.23 H new ATOM 0 HG22 VAL A 34 -4.084 -11.858 -4.574 1.00 1.23 H new ATOM 0 HG23 VAL A 34 -3.043 -12.664 -5.771 1.00 1.23 H new ATOM 515 N THR A 35 -4.256 -15.591 -1.805 1.00 0.46 N ATOM 516 CA THR A 35 -4.725 -16.611 -0.908 1.00 0.56 C ATOM 517 C THR A 35 -6.192 -16.346 -0.624 1.00 0.67 C ATOM 518 O THR A 35 -7.003 -17.270 -0.637 1.00 0.83 O ATOM 519 CB THR A 35 -3.851 -16.623 0.339 1.00 0.71 C ATOM 520 OG1 THR A 35 -2.585 -17.075 -0.098 1.00 0.82 O ATOM 521 CG2 THR A 35 -4.363 -17.564 1.431 1.00 0.84 C ATOM 0 H THR A 35 -3.796 -14.814 -1.330 1.00 0.46 H new ATOM 0 HA THR A 35 -4.650 -17.608 -1.342 1.00 0.56 H new ATOM 0 HB THR A 35 -3.837 -15.628 0.784 1.00 0.71 H new ATOM 0 HG1 THR A 35 -2.246 -16.475 -0.794 1.00 0.82 H new ATOM 0 HG21 THR A 35 -3.693 -17.523 2.290 1.00 0.84 H new ATOM 0 HG22 THR A 35 -5.364 -17.257 1.736 1.00 0.84 H new ATOM 0 HG23 THR A 35 -4.398 -18.583 1.046 1.00 0.84 H new ATOM 529 N ASP A 36 -6.535 -15.071 -0.413 1.00 0.62 N ATOM 530 CA ASP A 36 -7.917 -14.650 -0.334 1.00 0.72 C ATOM 531 C ASP A 36 -8.028 -13.249 -0.934 1.00 0.64 C ATOM 532 O ASP A 36 -7.032 -12.534 -1.035 1.00 1.12 O ATOM 533 CB ASP A 36 -8.392 -14.749 1.119 1.00 0.96 C ATOM 534 CG ASP A 36 -9.908 -14.748 1.237 1.00 1.17 C ATOM 535 OD1 ASP A 36 -10.584 -14.455 0.220 1.00 1.46 O ATOM 536 OD2 ASP A 36 -10.391 -14.972 2.362 1.00 2.14 O ATOM 0 H ASP A 36 -5.860 -14.315 -0.294 1.00 0.62 H new ATOM 0 HA ASP A 36 -8.577 -15.297 -0.912 1.00 0.72 H new ATOM 0 HB2 ASP A 36 -7.997 -15.661 1.566 1.00 0.96 H new ATOM 0 HB3 ASP A 36 -7.986 -13.913 1.688 1.00 0.96 H new ATOM 541 N ALA A 37 -9.218 -12.872 -1.390 1.00 0.70 N ATOM 542 CA ALA A 37 -9.466 -11.601 -2.054 1.00 0.54 C ATOM 543 C ALA A 37 -10.897 -11.193 -1.743 1.00 0.48 C ATOM 544 O ALA A 37 -11.824 -11.935 -2.081 1.00 0.59 O ATOM 545 CB ALA A 37 -9.216 -11.726 -3.559 1.00 0.65 C ATOM 0 H ALA A 37 -10.052 -13.454 -1.306 1.00 0.70 H new ATOM 0 HA ALA A 37 -8.785 -10.831 -1.692 1.00 0.54 H new ATOM 0 HB1 ALA A 37 -9.406 -10.767 -4.040 1.00 0.65 H new ATOM 0 HB2 ALA A 37 -8.181 -12.020 -3.733 1.00 0.65 H new ATOM 0 HB3 ALA A 37 -9.883 -12.480 -3.977 1.00 0.65 H new ATOM 551 N ASN A 38 -11.056 -10.081 -1.020 1.00 0.41 N ATOM 552 CA ASN A 38 -12.330 -9.620 -0.502 1.00 0.47 C ATOM 553 C ASN A 38 -12.473 -8.135 -0.781 1.00 0.41 C ATOM 554 O ASN A 38 -11.504 -7.421 -1.017 1.00 0.37 O ATOM 555 CB ASN A 38 -12.426 -9.898 1.004 1.00 0.55 C ATOM 556 CG ASN A 38 -12.487 -11.397 1.260 1.00 0.71 C ATOM 557 OD1 ASN A 38 -11.328 -12.041 1.281 1.00 1.79 O flip ATOM 558 ND2 ASN A 38 -13.565 -11.965 1.397 1.00 1.14 N flip ATOM 0 H ASN A 38 -10.278 -9.467 -0.777 1.00 0.41 H new ATOM 0 HA ASN A 38 -13.139 -10.158 -0.996 1.00 0.47 H new ATOM 0 HB2 ASN A 38 -11.564 -9.469 1.516 1.00 0.55 H new ATOM 0 HB3 ASN A 38 -13.313 -9.415 1.414 1.00 0.55 H new ATOM 0 HD21 ASN A 38 -14.431 -11.427 1.374 1.00 1.14 H new ATOM 0 HD22 ASN A 38 -13.595 -12.975 1.534 1.00 1.14 H new ATOM 565 N VAL A 39 -13.710 -7.659 -0.734 1.00 0.52 N ATOM 566 CA VAL A 39 -14.047 -6.303 -1.092 1.00 0.41 C ATOM 567 C VAL A 39 -15.228 -5.903 -0.235 1.00 0.60 C ATOM 568 O VAL A 39 -16.365 -6.319 -0.450 1.00 0.77 O ATOM 569 CB VAL A 39 -14.250 -6.209 -2.611 1.00 0.57 C ATOM 570 CG1 VAL A 39 -15.301 -7.195 -3.143 1.00 0.96 C ATOM 571 CG2 VAL A 39 -14.558 -4.771 -3.036 1.00 0.59 C ATOM 0 H VAL A 39 -14.512 -8.217 -0.441 1.00 0.52 H new ATOM 0 HA VAL A 39 -13.253 -5.585 -0.888 1.00 0.41 H new ATOM 0 HB VAL A 39 -13.306 -6.505 -3.069 1.00 0.57 H new ATOM 0 HG11 VAL A 39 -15.397 -7.078 -4.222 1.00 0.96 H new ATOM 0 HG12 VAL A 39 -14.991 -8.215 -2.915 1.00 0.96 H new ATOM 0 HG13 VAL A 39 -16.262 -6.993 -2.670 1.00 0.96 H new ATOM 0 HG21 VAL A 39 -14.697 -4.733 -4.116 1.00 0.59 H new ATOM 0 HG22 VAL A 39 -15.468 -4.432 -2.541 1.00 0.59 H new ATOM 0 HG23 VAL A 39 -13.728 -4.123 -2.754 1.00 0.59 H new ATOM 581 N ASN A 40 -14.936 -5.090 0.774 1.00 0.69 N ATOM 582 CA ASN A 40 -15.914 -4.597 1.708 1.00 0.95 C ATOM 583 C ASN A 40 -16.582 -3.422 1.010 1.00 0.89 C ATOM 584 O ASN A 40 -16.394 -2.266 1.376 1.00 0.84 O ATOM 585 CB ASN A 40 -15.214 -4.240 3.027 1.00 1.18 C ATOM 586 CG ASN A 40 -16.155 -4.459 4.202 1.00 1.32 C ATOM 587 OD1 ASN A 40 -16.255 -5.567 4.716 1.00 1.88 O ATOM 588 ND2 ASN A 40 -16.864 -3.425 4.636 1.00 2.08 N ATOM 0 H ASN A 40 -13.991 -4.755 0.960 1.00 0.69 H new ATOM 0 HA ASN A 40 -16.679 -5.324 1.981 1.00 0.95 H new ATOM 0 HB2 ASN A 40 -14.320 -4.852 3.149 1.00 1.18 H new ATOM 0 HB3 ASN A 40 -14.887 -3.200 3.003 1.00 1.18 H new ATOM 0 HD21 ASN A 40 -17.511 -3.542 5.415 1.00 2.08 H new ATOM 0 HD22 ASN A 40 -16.762 -2.513 4.190 1.00 2.08 H new ATOM 595 N LEU A 41 -17.339 -3.743 -0.045 1.00 0.94 N ATOM 596 CA LEU A 41 -18.021 -2.793 -0.912 1.00 0.91 C ATOM 597 C LEU A 41 -18.911 -1.841 -0.120 1.00 0.86 C ATOM 598 O LEU A 41 -19.086 -0.690 -0.504 1.00 0.87 O ATOM 599 CB LEU A 41 -18.749 -3.529 -2.052 1.00 1.07 C ATOM 600 CG LEU A 41 -19.780 -4.589 -1.638 1.00 1.42 C ATOM 601 CD1 LEU A 41 -21.190 -4.016 -1.445 1.00 1.57 C ATOM 602 CD2 LEU A 41 -19.846 -5.680 -2.715 1.00 1.71 C ATOM 0 H LEU A 41 -17.496 -4.712 -0.324 1.00 0.94 H new ATOM 0 HA LEU A 41 -17.277 -2.152 -1.386 1.00 0.91 H new ATOM 0 HB2 LEU A 41 -19.254 -2.786 -2.670 1.00 1.07 H new ATOM 0 HB3 LEU A 41 -17.999 -4.010 -2.680 1.00 1.07 H new ATOM 0 HG LEU A 41 -19.450 -4.989 -0.679 1.00 1.42 H new ATOM 0 HD11 LEU A 41 -21.871 -4.816 -1.153 1.00 1.57 H new ATOM 0 HD12 LEU A 41 -21.170 -3.254 -0.666 1.00 1.57 H new ATOM 0 HD13 LEU A 41 -21.533 -3.570 -2.379 1.00 1.57 H new ATOM 0 HD21 LEU A 41 -20.577 -6.434 -2.424 1.00 1.71 H new ATOM 0 HD22 LEU A 41 -20.141 -5.236 -3.665 1.00 1.71 H new ATOM 0 HD23 LEU A 41 -18.866 -6.146 -2.821 1.00 1.71 H new ATOM 614 N ALA A 42 -19.396 -2.299 1.034 1.00 0.88 N ATOM 615 CA ALA A 42 -20.163 -1.492 1.965 1.00 0.91 C ATOM 616 C ALA A 42 -19.394 -0.231 2.371 1.00 0.80 C ATOM 617 O ALA A 42 -19.992 0.822 2.571 1.00 0.82 O ATOM 618 CB ALA A 42 -20.517 -2.342 3.189 1.00 1.06 C ATOM 0 H ALA A 42 -19.261 -3.260 1.348 1.00 0.88 H new ATOM 0 HA ALA A 42 -21.081 -1.161 1.479 1.00 0.91 H new ATOM 0 HB1 ALA A 42 -21.094 -1.743 3.894 1.00 1.06 H new ATOM 0 HB2 ALA A 42 -21.108 -3.203 2.876 1.00 1.06 H new ATOM 0 HB3 ALA A 42 -19.601 -2.686 3.670 1.00 1.06 H new ATOM 624 N THR A 43 -18.071 -0.351 2.504 1.00 0.75 N ATOM 625 CA THR A 43 -17.151 0.723 2.823 1.00 0.73 C ATOM 626 C THR A 43 -16.157 0.967 1.673 1.00 0.65 C ATOM 627 O THR A 43 -15.139 1.635 1.871 1.00 0.73 O ATOM 628 CB THR A 43 -16.460 0.331 4.136 1.00 0.79 C ATOM 629 OG1 THR A 43 -15.789 -0.908 4.006 1.00 0.80 O ATOM 630 CG2 THR A 43 -17.517 0.147 5.228 1.00 0.91 C ATOM 0 H THR A 43 -17.598 -1.247 2.385 1.00 0.75 H new ATOM 0 HA THR A 43 -17.673 1.671 2.949 1.00 0.73 H new ATOM 0 HB THR A 43 -15.750 1.120 4.385 1.00 0.79 H new ATOM 0 HG1 THR A 43 -15.356 -1.136 4.855 1.00 0.80 H new ATOM 0 HG21 THR A 43 -17.030 -0.132 6.163 1.00 0.91 H new ATOM 0 HG22 THR A 43 -18.063 1.080 5.367 1.00 0.91 H new ATOM 0 HG23 THR A 43 -18.212 -0.639 4.933 1.00 0.91 H new ATOM 638 N GLU A 44 -16.466 0.435 0.480 1.00 0.58 N ATOM 639 CA GLU A 44 -15.690 0.549 -0.751 1.00 0.51 C ATOM 640 C GLU A 44 -14.203 0.207 -0.575 1.00 0.55 C ATOM 641 O GLU A 44 -13.357 0.805 -1.238 1.00 0.86 O ATOM 642 CB GLU A 44 -15.906 1.937 -1.369 1.00 0.57 C ATOM 643 CG GLU A 44 -17.389 2.197 -1.663 1.00 0.85 C ATOM 644 CD GLU A 44 -17.580 3.576 -2.276 1.00 1.02 C ATOM 645 OE1 GLU A 44 -17.448 4.553 -1.508 1.00 1.66 O ATOM 646 OE2 GLU A 44 -17.834 3.627 -3.498 1.00 1.60 O ATOM 0 H GLU A 44 -17.314 -0.117 0.348 1.00 0.58 H new ATOM 0 HA GLU A 44 -16.060 -0.206 -1.445 1.00 0.51 H new ATOM 0 HB2 GLU A 44 -15.529 2.702 -0.690 1.00 0.57 H new ATOM 0 HB3 GLU A 44 -15.331 2.019 -2.292 1.00 0.57 H new ATOM 0 HG2 GLU A 44 -17.769 1.435 -2.343 1.00 0.85 H new ATOM 0 HG3 GLU A 44 -17.967 2.119 -0.742 1.00 0.85 H new ATOM 653 N THR A 45 -13.871 -0.774 0.272 1.00 0.47 N ATOM 654 CA THR A 45 -12.483 -1.098 0.581 1.00 0.54 C ATOM 655 C THR A 45 -12.185 -2.481 0.013 1.00 0.46 C ATOM 656 O THR A 45 -12.771 -3.464 0.462 1.00 0.51 O ATOM 657 CB THR A 45 -12.238 -0.978 2.092 1.00 0.83 C ATOM 658 OG1 THR A 45 -12.152 0.388 2.461 1.00 1.22 O ATOM 659 CG2 THR A 45 -10.918 -1.644 2.486 1.00 0.92 C ATOM 0 H THR A 45 -14.553 -1.358 0.756 1.00 0.47 H new ATOM 0 HA THR A 45 -11.791 -0.394 0.118 1.00 0.54 H new ATOM 0 HB THR A 45 -13.069 -1.468 2.599 1.00 0.83 H new ATOM 0 HG1 THR A 45 -11.235 0.706 2.326 1.00 1.22 H new ATOM 0 HG21 THR A 45 -10.767 -1.545 3.561 1.00 0.92 H new ATOM 0 HG22 THR A 45 -10.950 -2.700 2.219 1.00 0.92 H new ATOM 0 HG23 THR A 45 -10.095 -1.161 1.959 1.00 0.92 H new ATOM 667 N VAL A 46 -11.276 -2.562 -0.960 1.00 0.42 N ATOM 668 CA VAL A 46 -10.768 -3.813 -1.488 1.00 0.39 C ATOM 669 C VAL A 46 -9.638 -4.277 -0.567 1.00 0.46 C ATOM 670 O VAL A 46 -8.699 -3.524 -0.305 1.00 0.58 O ATOM 671 CB VAL A 46 -10.374 -3.653 -2.968 1.00 0.39 C ATOM 672 CG1 VAL A 46 -9.392 -2.511 -3.264 1.00 0.52 C ATOM 673 CG2 VAL A 46 -9.792 -4.962 -3.500 1.00 0.39 C ATOM 0 H VAL A 46 -10.869 -1.740 -1.406 1.00 0.42 H new ATOM 0 HA VAL A 46 -11.527 -4.595 -1.494 1.00 0.39 H new ATOM 0 HB VAL A 46 -11.301 -3.391 -3.477 1.00 0.39 H new ATOM 0 HG11 VAL A 46 -9.178 -2.483 -4.332 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -9.833 -1.563 -2.957 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -8.466 -2.675 -2.713 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -9.516 -4.839 -4.547 1.00 0.39 H new ATOM 0 HG22 VAL A 46 -8.908 -5.229 -2.921 1.00 0.39 H new ATOM 0 HG23 VAL A 46 -10.536 -5.754 -3.411 1.00 0.39 H new ATOM 683 N ASN A 47 -9.765 -5.491 -0.025 1.00 0.41 N ATOM 684 CA ASN A 47 -8.809 -6.098 0.879 1.00 0.48 C ATOM 685 C ASN A 47 -8.354 -7.429 0.295 1.00 0.40 C ATOM 686 O ASN A 47 -9.148 -8.363 0.179 1.00 0.38 O ATOM 687 CB ASN A 47 -9.428 -6.285 2.258 1.00 0.62 C ATOM 688 CG ASN A 47 -8.460 -6.932 3.244 1.00 2.45 C ATOM 689 OD1 ASN A 47 -7.292 -7.167 2.952 1.00 3.97 O ATOM 690 ND2 ASN A 47 -8.946 -7.225 4.443 1.00 3.08 N ATOM 0 H ASN A 47 -10.567 -6.092 -0.216 1.00 0.41 H new ATOM 0 HA ASN A 47 -7.943 -5.446 0.994 1.00 0.48 H new ATOM 0 HB2 ASN A 47 -9.745 -5.317 2.646 1.00 0.62 H new ATOM 0 HB3 ASN A 47 -10.322 -6.902 2.172 1.00 0.62 H new ATOM 0 HD21 ASN A 47 -8.345 -7.655 5.146 1.00 3.08 H new ATOM 0 HD22 ASN A 47 -9.921 -7.020 4.662 1.00 3.08 H new ATOM 697 N VAL A 48 -7.079 -7.509 -0.076 1.00 0.39 N ATOM 698 CA VAL A 48 -6.533 -8.658 -0.792 1.00 0.37 C ATOM 699 C VAL A 48 -5.410 -9.261 0.039 1.00 0.47 C ATOM 700 O VAL A 48 -4.583 -8.519 0.571 1.00 0.51 O ATOM 701 CB VAL A 48 -6.078 -8.282 -2.215 1.00 0.35 C ATOM 702 CG1 VAL A 48 -5.950 -9.546 -3.075 1.00 0.35 C ATOM 703 CG2 VAL A 48 -7.071 -7.336 -2.899 1.00 0.38 C ATOM 0 H VAL A 48 -6.394 -6.777 0.112 1.00 0.39 H new ATOM 0 HA VAL A 48 -7.312 -9.408 -0.925 1.00 0.37 H new ATOM 0 HB VAL A 48 -5.116 -7.778 -2.122 1.00 0.35 H new ATOM 0 HG11 VAL A 48 -5.628 -9.272 -4.080 1.00 0.35 H new ATOM 0 HG12 VAL A 48 -5.216 -10.217 -2.629 1.00 0.35 H new ATOM 0 HG13 VAL A 48 -6.915 -10.049 -3.128 1.00 0.35 H new ATOM 0 HG21 VAL A 48 -6.713 -7.095 -3.900 1.00 0.38 H new ATOM 0 HG22 VAL A 48 -8.045 -7.819 -2.968 1.00 0.38 H new ATOM 0 HG23 VAL A 48 -7.161 -6.420 -2.316 1.00 0.38 H new ATOM 713 N ILE A 49 -5.407 -10.592 0.169 1.00 0.54 N ATOM 714 CA ILE A 49 -4.515 -11.332 1.047 1.00 0.56 C ATOM 715 C ILE A 49 -3.695 -12.323 0.206 1.00 0.56 C ATOM 716 O ILE A 49 -4.269 -13.193 -0.451 1.00 0.58 O ATOM 717 CB ILE A 49 -5.338 -12.010 2.158 1.00 0.61 C ATOM 718 CG1 ILE A 49 -5.980 -10.949 3.076 1.00 0.78 C ATOM 719 CG2 ILE A 49 -4.475 -12.957 3.005 1.00 0.61 C ATOM 720 CD1 ILE A 49 -7.262 -11.458 3.740 1.00 1.02 C ATOM 0 H ILE A 49 -6.045 -11.194 -0.351 1.00 0.54 H new ATOM 0 HA ILE A 49 -3.807 -10.668 1.542 1.00 0.56 H new ATOM 0 HB ILE A 49 -6.117 -12.596 1.671 1.00 0.61 H new ATOM 0 HG12 ILE A 49 -5.266 -10.657 3.846 1.00 0.78 H new ATOM 0 HG13 ILE A 49 -6.205 -10.055 2.494 1.00 0.78 H new ATOM 0 HG21 ILE A 49 -5.091 -13.417 3.778 1.00 0.61 H new ATOM 0 HG22 ILE A 49 -4.054 -13.734 2.367 1.00 0.61 H new ATOM 0 HG23 ILE A 49 -3.667 -12.393 3.472 1.00 0.61 H new ATOM 0 HD11 ILE A 49 -7.677 -10.676 4.376 1.00 1.02 H new ATOM 0 HD12 ILE A 49 -7.988 -11.725 2.972 1.00 1.02 H new ATOM 0 HD13 ILE A 49 -7.035 -12.336 4.345 1.00 1.02 H new ATOM 732 N TYR A 50 -2.367 -12.162 0.169 1.00 0.58 N ATOM 733 CA TYR A 50 -1.490 -12.877 -0.760 1.00 0.61 C ATOM 734 C TYR A 50 -0.057 -12.942 -0.219 1.00 0.68 C ATOM 735 O TYR A 50 0.298 -12.149 0.656 1.00 0.75 O ATOM 736 CB TYR A 50 -1.469 -12.150 -2.113 1.00 0.61 C ATOM 737 CG TYR A 50 -1.168 -10.672 -2.031 1.00 0.49 C ATOM 738 CD1 TYR A 50 -2.214 -9.790 -1.714 1.00 1.63 C ATOM 739 CD2 TYR A 50 0.109 -10.169 -2.337 1.00 1.76 C ATOM 740 CE1 TYR A 50 -1.981 -8.414 -1.651 1.00 1.74 C ATOM 741 CE2 TYR A 50 0.328 -8.781 -2.326 1.00 1.66 C ATOM 742 CZ TYR A 50 -0.715 -7.910 -1.966 1.00 0.55 C ATOM 743 OH TYR A 50 -0.500 -6.567 -1.929 1.00 0.86 O ATOM 0 H TYR A 50 -1.868 -11.525 0.790 1.00 0.58 H new ATOM 0 HA TYR A 50 -1.875 -13.890 -0.877 1.00 0.61 H new ATOM 0 HB2 TYR A 50 -0.724 -12.624 -2.753 1.00 0.61 H new ATOM 0 HB3 TYR A 50 -2.437 -12.284 -2.597 1.00 0.61 H new ATOM 0 HD1 TYR A 50 -3.203 -10.177 -1.518 1.00 1.63 H new ATOM 0 HD2 TYR A 50 0.916 -10.845 -2.579 1.00 1.76 H new ATOM 0 HE1 TYR A 50 -2.775 -7.742 -1.360 1.00 1.74 H new ATOM 0 HE2 TYR A 50 1.296 -8.384 -2.594 1.00 1.66 H new ATOM 0 HH TYR A 50 -1.201 -6.109 -2.438 1.00 0.86 H new ATOM 753 N ASP A 51 0.795 -13.819 -0.774 1.00 0.78 N ATOM 754 CA ASP A 51 2.197 -13.911 -0.343 1.00 0.92 C ATOM 755 C ASP A 51 3.052 -12.881 -1.099 1.00 0.80 C ATOM 756 O ASP A 51 2.964 -12.814 -2.330 1.00 0.68 O ATOM 757 CB ASP A 51 2.775 -15.329 -0.544 1.00 1.23 C ATOM 758 CG ASP A 51 3.251 -15.956 0.771 1.00 1.46 C ATOM 759 OD1 ASP A 51 4.143 -15.355 1.406 1.00 2.42 O ATOM 760 OD2 ASP A 51 2.703 -17.015 1.151 1.00 1.98 O ATOM 0 H ASP A 51 0.539 -14.470 -1.517 1.00 0.78 H new ATOM 0 HA ASP A 51 2.225 -13.694 0.725 1.00 0.92 H new ATOM 0 HB2 ASP A 51 2.015 -15.968 -0.994 1.00 1.23 H new ATOM 0 HB3 ASP A 51 3.609 -15.283 -1.245 1.00 1.23 H new ATOM 765 N PRO A 52 3.913 -12.092 -0.429 1.00 0.92 N ATOM 766 CA PRO A 52 4.829 -11.168 -1.095 1.00 0.93 C ATOM 767 C PRO A 52 6.011 -11.894 -1.750 1.00 0.86 C ATOM 768 O PRO A 52 7.157 -11.481 -1.579 1.00 0.97 O ATOM 769 CB PRO A 52 5.307 -10.216 0.009 1.00 1.20 C ATOM 770 CG PRO A 52 5.241 -11.078 1.269 1.00 1.28 C ATOM 771 CD PRO A 52 4.034 -11.980 1.018 1.00 1.16 C ATOM 0 HA PRO A 52 4.333 -10.640 -1.910 1.00 0.93 H new ATOM 0 HB2 PRO A 52 6.319 -9.856 -0.180 1.00 1.20 H new ATOM 0 HB3 PRO A 52 4.666 -9.338 0.088 1.00 1.20 H new ATOM 0 HG2 PRO A 52 6.154 -11.657 1.408 1.00 1.28 H new ATOM 0 HG3 PRO A 52 5.110 -10.471 2.165 1.00 1.28 H new ATOM 0 HD2 PRO A 52 4.177 -12.959 1.475 1.00 1.16 H new ATOM 0 HD3 PRO A 52 3.130 -11.554 1.454 1.00 1.16 H new ATOM 779 N ALA A 53 5.756 -12.949 -2.526 1.00 0.78 N ATOM 780 CA ALA A 53 6.840 -13.677 -3.192 1.00 0.80 C ATOM 781 C ALA A 53 6.361 -14.487 -4.387 1.00 0.77 C ATOM 782 O ALA A 53 6.996 -15.460 -4.784 1.00 0.99 O ATOM 783 CB ALA A 53 7.567 -14.581 -2.195 1.00 0.88 C ATOM 0 H ALA A 53 4.822 -13.316 -2.708 1.00 0.78 H new ATOM 0 HA ALA A 53 7.532 -12.927 -3.575 1.00 0.80 H new ATOM 0 HB1 ALA A 53 8.369 -15.115 -2.705 1.00 0.88 H new ATOM 0 HB2 ALA A 53 7.988 -13.974 -1.393 1.00 0.88 H new ATOM 0 HB3 ALA A 53 6.863 -15.299 -1.775 1.00 0.88 H new ATOM 789 N GLU A 54 5.258 -14.035 -4.970 1.00 0.81 N ATOM 790 CA GLU A 54 4.653 -14.620 -6.146 1.00 0.76 C ATOM 791 C GLU A 54 3.992 -13.532 -6.987 1.00 0.73 C ATOM 792 O GLU A 54 4.088 -13.543 -8.210 1.00 0.84 O ATOM 793 CB GLU A 54 3.599 -15.656 -5.741 1.00 0.73 C ATOM 794 CG GLU A 54 4.199 -16.899 -5.071 1.00 0.77 C ATOM 795 CD GLU A 54 3.246 -18.084 -5.154 1.00 0.80 C ATOM 796 OE1 GLU A 54 2.027 -17.820 -5.181 1.00 1.62 O ATOM 797 OE2 GLU A 54 3.752 -19.223 -5.234 1.00 1.77 O ATOM 0 H GLU A 54 4.748 -13.224 -4.621 1.00 0.81 H new ATOM 0 HA GLU A 54 5.432 -15.110 -6.730 1.00 0.76 H new ATOM 0 HB2 GLU A 54 2.886 -15.192 -5.059 1.00 0.73 H new ATOM 0 HB3 GLU A 54 3.041 -15.962 -6.626 1.00 0.73 H new ATOM 0 HG2 GLU A 54 5.143 -17.154 -5.552 1.00 0.77 H new ATOM 0 HG3 GLU A 54 4.422 -16.681 -4.027 1.00 0.77 H new ATOM 804 N THR A 55 3.257 -12.630 -6.327 1.00 0.64 N ATOM 805 CA THR A 55 2.301 -11.754 -6.952 1.00 0.61 C ATOM 806 C THR A 55 2.851 -10.327 -6.901 1.00 0.65 C ATOM 807 O THR A 55 3.496 -9.888 -7.849 1.00 0.73 O ATOM 808 CB THR A 55 1.005 -12.008 -6.183 1.00 0.59 C ATOM 809 OG1 THR A 55 0.564 -13.323 -6.467 1.00 0.65 O ATOM 810 CG2 THR A 55 -0.101 -11.050 -6.552 1.00 0.63 C ATOM 0 H THR A 55 3.324 -12.498 -5.318 1.00 0.64 H new ATOM 0 HA THR A 55 2.109 -11.926 -8.011 1.00 0.61 H new ATOM 0 HB THR A 55 1.224 -11.865 -5.125 1.00 0.59 H new ATOM 0 HG1 THR A 55 -0.267 -13.502 -5.979 1.00 0.65 H new ATOM 0 HG21 THR A 55 -0.993 -11.284 -5.971 1.00 0.63 H new ATOM 0 HG22 THR A 55 0.215 -10.029 -6.337 1.00 0.63 H new ATOM 0 HG23 THR A 55 -0.325 -11.144 -7.615 1.00 0.63 H new ATOM 818 N GLY A 56 2.646 -9.615 -5.788 1.00 0.64 N ATOM 819 CA GLY A 56 3.220 -8.302 -5.574 1.00 0.71 C ATOM 820 C GLY A 56 2.112 -7.260 -5.593 1.00 0.64 C ATOM 821 O GLY A 56 1.371 -7.149 -6.563 1.00 0.63 O ATOM 0 H GLY A 56 2.072 -9.944 -5.012 1.00 0.64 H new ATOM 0 HA2 GLY A 56 3.746 -8.273 -4.619 1.00 0.71 H new ATOM 0 HA3 GLY A 56 3.954 -8.083 -6.349 1.00 0.71 H new ATOM 825 N THR A 57 2.011 -6.496 -4.508 1.00 0.62 N ATOM 826 CA THR A 57 1.112 -5.349 -4.358 1.00 0.62 C ATOM 827 C THR A 57 0.984 -4.518 -5.651 1.00 0.63 C ATOM 828 O THR A 57 -0.124 -4.186 -6.073 1.00 0.61 O ATOM 829 CB THR A 57 1.498 -4.533 -3.109 1.00 0.64 C ATOM 830 OG1 THR A 57 0.622 -3.443 -2.926 1.00 0.86 O ATOM 831 CG2 THR A 57 2.934 -4.039 -3.191 1.00 0.64 C ATOM 0 H THR A 57 2.575 -6.664 -3.675 1.00 0.62 H new ATOM 0 HA THR A 57 0.101 -5.719 -4.189 1.00 0.62 H new ATOM 0 HB THR A 57 1.413 -5.198 -2.249 1.00 0.64 H new ATOM 0 HG1 THR A 57 1.139 -2.612 -2.879 1.00 0.86 H new ATOM 0 HG21 THR A 57 3.174 -3.467 -2.295 1.00 0.64 H new ATOM 0 HG22 THR A 57 3.608 -4.892 -3.269 1.00 0.64 H new ATOM 0 HG23 THR A 57 3.051 -3.403 -4.069 1.00 0.64 H new ATOM 839 N ALA A 58 2.103 -4.246 -6.327 1.00 0.66 N ATOM 840 CA ALA A 58 2.096 -3.522 -7.593 1.00 0.68 C ATOM 841 C ALA A 58 1.302 -4.274 -8.671 1.00 0.64 C ATOM 842 O ALA A 58 0.541 -3.676 -9.425 1.00 0.63 O ATOM 843 CB ALA A 58 3.534 -3.260 -8.044 1.00 0.76 C ATOM 0 H ALA A 58 3.033 -4.521 -6.011 1.00 0.66 H new ATOM 0 HA ALA A 58 1.594 -2.566 -7.442 1.00 0.68 H new ATOM 0 HB1 ALA A 58 3.526 -2.719 -8.990 1.00 0.76 H new ATOM 0 HB2 ALA A 58 4.049 -2.665 -7.290 1.00 0.76 H new ATOM 0 HB3 ALA A 58 4.053 -4.209 -8.174 1.00 0.76 H new ATOM 849 N ALA A 59 1.446 -5.597 -8.751 1.00 0.62 N ATOM 850 CA ALA A 59 0.676 -6.382 -9.702 1.00 0.60 C ATOM 851 C ALA A 59 -0.797 -6.419 -9.299 1.00 0.53 C ATOM 852 O ALA A 59 -1.679 -6.394 -10.155 1.00 0.53 O ATOM 853 CB ALA A 59 1.234 -7.795 -9.800 1.00 0.62 C ATOM 0 H ALA A 59 2.085 -6.140 -8.171 1.00 0.62 H new ATOM 0 HA ALA A 59 0.754 -5.909 -10.681 1.00 0.60 H new ATOM 0 HB1 ALA A 59 0.646 -8.369 -10.516 1.00 0.62 H new ATOM 0 HB2 ALA A 59 2.271 -7.754 -10.132 1.00 0.62 H new ATOM 0 HB3 ALA A 59 1.184 -8.274 -8.822 1.00 0.62 H new ATOM 859 N ILE A 60 -1.072 -6.488 -7.993 1.00 0.49 N ATOM 860 CA ILE A 60 -2.438 -6.470 -7.480 1.00 0.44 C ATOM 861 C ILE A 60 -3.120 -5.194 -7.981 1.00 0.42 C ATOM 862 O ILE A 60 -4.162 -5.258 -8.638 1.00 0.40 O ATOM 863 CB ILE A 60 -2.462 -6.549 -5.941 1.00 0.49 C ATOM 864 CG1 ILE A 60 -1.653 -7.730 -5.377 1.00 0.64 C ATOM 865 CG2 ILE A 60 -3.883 -6.536 -5.370 1.00 0.45 C ATOM 866 CD1 ILE A 60 -2.433 -9.002 -5.067 1.00 0.57 C ATOM 0 H ILE A 60 -0.357 -6.557 -7.269 1.00 0.49 H new ATOM 0 HA ILE A 60 -2.978 -7.345 -7.843 1.00 0.44 H new ATOM 0 HB ILE A 60 -1.965 -5.638 -5.608 1.00 0.49 H new ATOM 0 HG12 ILE A 60 -0.867 -7.977 -6.091 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -1.161 -7.400 -4.462 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -3.839 -6.594 -4.282 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -4.385 -5.614 -5.664 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -4.438 -7.391 -5.756 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.753 -9.759 -4.676 1.00 0.57 H new ATOM 0 HD12 ILE A 60 -3.201 -8.786 -4.324 1.00 0.57 H new ATOM 0 HD13 ILE A 60 -2.903 -9.372 -5.978 1.00 0.57 H new ATOM 878 N GLN A 61 -2.504 -4.035 -7.706 1.00 0.47 N ATOM 879 CA GLN A 61 -3.046 -2.772 -8.184 1.00 0.50 C ATOM 880 C GLN A 61 -3.142 -2.810 -9.705 1.00 0.53 C ATOM 881 O GLN A 61 -4.187 -2.479 -10.256 1.00 0.57 O ATOM 882 CB GLN A 61 -2.312 -1.540 -7.619 1.00 0.64 C ATOM 883 CG GLN A 61 -1.166 -1.000 -8.484 1.00 0.85 C ATOM 884 CD GLN A 61 -0.561 0.256 -7.889 1.00 0.89 C ATOM 885 OE1 GLN A 61 0.388 0.180 -7.110 1.00 1.85 O ATOM 886 NE2 GLN A 61 -1.097 1.410 -8.263 1.00 1.01 N ATOM 0 H GLN A 61 -1.644 -3.954 -7.163 1.00 0.47 H new ATOM 0 HA GLN A 61 -4.057 -2.652 -7.795 1.00 0.50 H new ATOM 0 HB2 GLN A 61 -3.039 -0.742 -7.471 1.00 0.64 H new ATOM 0 HB3 GLN A 61 -1.914 -1.795 -6.637 1.00 0.64 H new ATOM 0 HG2 GLN A 61 -0.395 -1.763 -8.585 1.00 0.85 H new ATOM 0 HG3 GLN A 61 -1.536 -0.786 -9.487 1.00 0.85 H new ATOM 0 HE21 GLN A 61 -1.884 1.420 -8.912 1.00 1.01 H new ATOM 0 HE22 GLN A 61 -0.722 2.287 -7.902 1.00 1.01 H new ATOM 895 N GLU A 62 -2.097 -3.289 -10.390 1.00 0.55 N ATOM 896 CA GLU A 62 -2.129 -3.339 -11.838 1.00 0.60 C ATOM 897 C GLU A 62 -3.340 -4.135 -12.330 1.00 0.55 C ATOM 898 O GLU A 62 -3.971 -3.747 -13.312 1.00 0.59 O ATOM 899 CB GLU A 62 -0.808 -3.885 -12.392 1.00 0.71 C ATOM 900 CG GLU A 62 -0.872 -3.961 -13.918 1.00 0.84 C ATOM 901 CD GLU A 62 0.495 -4.039 -14.570 1.00 1.45 C ATOM 902 OE1 GLU A 62 1.303 -4.881 -14.132 1.00 2.09 O ATOM 903 OE2 GLU A 62 0.662 -3.270 -15.542 1.00 3.05 O ATOM 0 H GLU A 62 -1.238 -3.639 -9.966 1.00 0.55 H new ATOM 0 HA GLU A 62 -2.241 -2.324 -12.219 1.00 0.60 H new ATOM 0 HB2 GLU A 62 0.017 -3.242 -12.086 1.00 0.71 H new ATOM 0 HB3 GLU A 62 -0.612 -4.874 -11.978 1.00 0.71 H new ATOM 0 HG2 GLU A 62 -1.456 -4.835 -14.208 1.00 0.84 H new ATOM 0 HG3 GLU A 62 -1.399 -3.085 -14.297 1.00 0.84 H new ATOM 910 N LYS A 63 -3.697 -5.240 -11.667 1.00 0.51 N ATOM 911 CA LYS A 63 -4.806 -6.051 -12.107 1.00 0.51 C ATOM 912 C LYS A 63 -6.107 -5.258 -11.927 1.00 0.48 C ATOM 913 O LYS A 63 -6.925 -5.226 -12.846 1.00 0.51 O ATOM 914 CB LYS A 63 -4.751 -7.383 -11.351 1.00 0.55 C ATOM 915 CG LYS A 63 -5.651 -8.470 -11.940 1.00 0.85 C ATOM 916 CD LYS A 63 -4.996 -9.394 -12.977 1.00 1.24 C ATOM 917 CE LYS A 63 -4.557 -8.677 -14.262 1.00 1.36 C ATOM 918 NZ LYS A 63 -4.195 -9.632 -15.329 1.00 2.33 N ATOM 0 H LYS A 63 -3.228 -5.581 -10.828 1.00 0.51 H new ATOM 0 HA LYS A 63 -4.756 -6.294 -13.168 1.00 0.51 H new ATOM 0 HB2 LYS A 63 -3.722 -7.742 -11.343 1.00 0.55 H new ATOM 0 HB3 LYS A 63 -5.037 -7.212 -10.313 1.00 0.55 H new ATOM 0 HG2 LYS A 63 -6.029 -9.084 -11.123 1.00 0.85 H new ATOM 0 HG3 LYS A 63 -6.513 -7.990 -12.403 1.00 0.85 H new ATOM 0 HD2 LYS A 63 -4.127 -9.873 -12.525 1.00 1.24 H new ATOM 0 HD3 LYS A 63 -5.697 -10.187 -13.237 1.00 1.24 H new ATOM 0 HE2 LYS A 63 -5.363 -8.031 -14.611 1.00 1.36 H new ATOM 0 HE3 LYS A 63 -3.704 -8.034 -14.046 1.00 1.36 H new ATOM 0 HZ1 LYS A 63 -3.904 -9.109 -16.179 1.00 2.33 H new ATOM 0 HZ2 LYS A 63 -3.409 -10.232 -15.006 1.00 2.33 H new ATOM 0 HZ3 LYS A 63 -5.016 -10.229 -15.554 1.00 2.33 H new ATOM 932 N ILE A 64 -6.282 -4.582 -10.785 1.00 0.45 N ATOM 933 CA ILE A 64 -7.413 -3.679 -10.565 1.00 0.44 C ATOM 934 C ILE A 64 -7.496 -2.659 -11.706 1.00 0.47 C ATOM 935 O ILE A 64 -8.555 -2.475 -12.308 1.00 0.50 O ATOM 936 CB ILE A 64 -7.299 -2.996 -9.185 1.00 0.41 C ATOM 937 CG1 ILE A 64 -7.439 -4.053 -8.070 1.00 0.43 C ATOM 938 CG2 ILE A 64 -8.389 -1.929 -9.024 1.00 0.42 C ATOM 939 CD1 ILE A 64 -6.980 -3.570 -6.690 1.00 0.56 C ATOM 0 H ILE A 64 -5.645 -4.647 -9.991 1.00 0.45 H new ATOM 0 HA ILE A 64 -8.340 -4.253 -10.564 1.00 0.44 H new ATOM 0 HB ILE A 64 -6.324 -2.515 -9.111 1.00 0.41 H new ATOM 0 HG12 ILE A 64 -8.482 -4.363 -8.006 1.00 0.43 H new ATOM 0 HG13 ILE A 64 -6.861 -4.935 -8.345 1.00 0.43 H new ATOM 0 HG21 ILE A 64 -8.295 -1.457 -8.046 1.00 0.42 H new ATOM 0 HG22 ILE A 64 -8.278 -1.175 -9.803 1.00 0.42 H new ATOM 0 HG23 ILE A 64 -9.370 -2.396 -9.108 1.00 0.42 H new ATOM 0 HD11 ILE A 64 -7.111 -4.371 -5.962 1.00 0.56 H new ATOM 0 HD12 ILE A 64 -5.928 -3.288 -6.735 1.00 0.56 H new ATOM 0 HD13 ILE A 64 -7.575 -2.707 -6.390 1.00 0.56 H new ATOM 951 N GLU A 65 -6.375 -2.007 -12.014 1.00 0.47 N ATOM 952 CA GLU A 65 -6.315 -1.003 -13.062 1.00 0.49 C ATOM 953 C GLU A 65 -6.728 -1.617 -14.411 1.00 0.55 C ATOM 954 O GLU A 65 -7.630 -1.102 -15.070 1.00 0.59 O ATOM 955 CB GLU A 65 -4.931 -0.333 -13.055 1.00 0.54 C ATOM 956 CG GLU A 65 -4.678 0.404 -11.719 1.00 0.56 C ATOM 957 CD GLU A 65 -3.269 0.987 -11.600 1.00 1.00 C ATOM 958 OE1 GLU A 65 -2.662 1.205 -12.672 1.00 2.10 O ATOM 959 OE2 GLU A 65 -2.819 1.192 -10.445 1.00 2.56 O ATOM 0 H GLU A 65 -5.485 -2.164 -11.540 1.00 0.47 H new ATOM 0 HA GLU A 65 -7.035 -0.205 -12.878 1.00 0.49 H new ATOM 0 HB2 GLU A 65 -4.158 -1.086 -13.211 1.00 0.54 H new ATOM 0 HB3 GLU A 65 -4.861 0.373 -13.883 1.00 0.54 H new ATOM 0 HG2 GLU A 65 -5.406 1.209 -11.614 1.00 0.56 H new ATOM 0 HG3 GLU A 65 -4.847 -0.288 -10.894 1.00 0.56 H new ATOM 966 N LYS A 66 -6.138 -2.754 -14.801 1.00 0.58 N ATOM 967 CA LYS A 66 -6.522 -3.485 -16.007 1.00 0.66 C ATOM 968 C LYS A 66 -8.005 -3.871 -16.011 1.00 0.65 C ATOM 969 O LYS A 66 -8.624 -3.878 -17.072 1.00 0.73 O ATOM 970 CB LYS A 66 -5.640 -4.721 -16.222 1.00 0.73 C ATOM 971 CG LYS A 66 -4.449 -4.401 -17.132 1.00 1.05 C ATOM 972 CD LYS A 66 -3.383 -3.530 -16.459 1.00 1.65 C ATOM 973 CE LYS A 66 -2.194 -3.298 -17.406 1.00 1.93 C ATOM 974 NZ LYS A 66 -1.268 -2.254 -16.919 1.00 3.03 N ATOM 0 H LYS A 66 -5.376 -3.192 -14.283 1.00 0.58 H new ATOM 0 HA LYS A 66 -6.363 -2.803 -16.842 1.00 0.66 H new ATOM 0 HB2 LYS A 66 -5.279 -5.085 -15.260 1.00 0.73 H new ATOM 0 HB3 LYS A 66 -6.233 -5.522 -16.663 1.00 0.73 H new ATOM 0 HG2 LYS A 66 -3.991 -5.334 -17.459 1.00 1.05 H new ATOM 0 HG3 LYS A 66 -4.811 -3.893 -18.026 1.00 1.05 H new ATOM 0 HD2 LYS A 66 -3.817 -2.573 -16.171 1.00 1.65 H new ATOM 0 HD3 LYS A 66 -3.037 -4.011 -15.544 1.00 1.65 H new ATOM 0 HE2 LYS A 66 -1.647 -4.233 -17.531 1.00 1.93 H new ATOM 0 HE3 LYS A 66 -2.569 -3.014 -18.389 1.00 1.93 H new ATOM 0 HZ1 LYS A 66 -1.123 -1.543 -17.664 1.00 3.03 H new ATOM 0 HZ2 LYS A 66 -1.673 -1.796 -16.078 1.00 3.03 H new ATOM 0 HZ3 LYS A 66 -0.355 -2.687 -16.672 1.00 3.03 H new ATOM 988 N LEU A 67 -8.587 -4.194 -14.851 1.00 0.59 N ATOM 989 CA LEU A 67 -10.013 -4.477 -14.761 1.00 0.61 C ATOM 990 C LEU A 67 -10.873 -3.248 -15.094 1.00 0.64 C ATOM 991 O LEU A 67 -12.067 -3.402 -15.342 1.00 0.70 O ATOM 992 CB LEU A 67 -10.338 -5.099 -13.395 1.00 0.57 C ATOM 993 CG LEU A 67 -10.453 -6.632 -13.452 1.00 0.69 C ATOM 994 CD1 LEU A 67 -9.593 -7.241 -12.351 1.00 1.49 C ATOM 995 CD2 LEU A 67 -11.915 -7.067 -13.301 1.00 2.26 C ATOM 0 H LEU A 67 -8.088 -4.264 -13.964 1.00 0.59 H new ATOM 0 HA LEU A 67 -10.272 -5.212 -15.523 1.00 0.61 H new ATOM 0 HB2 LEU A 67 -9.562 -4.823 -12.681 1.00 0.57 H new ATOM 0 HB3 LEU A 67 -11.274 -4.682 -13.024 1.00 0.57 H new ATOM 0 HG LEU A 67 -10.098 -6.985 -14.420 1.00 0.69 H new ATOM 0 HD11 LEU A 67 -9.671 -8.328 -12.387 1.00 1.49 H new ATOM 0 HD12 LEU A 67 -8.554 -6.947 -12.497 1.00 1.49 H new ATOM 0 HD13 LEU A 67 -9.938 -6.885 -11.381 1.00 1.49 H new ATOM 0 HD21 LEU A 67 -11.977 -8.154 -13.344 1.00 2.26 H new ATOM 0 HD22 LEU A 67 -12.301 -6.719 -12.343 1.00 2.26 H new ATOM 0 HD23 LEU A 67 -12.508 -6.638 -14.109 1.00 2.26 H new ATOM 1007 N GLY A 68 -10.285 -2.048 -15.133 1.00 0.62 N ATOM 1008 CA GLY A 68 -10.953 -0.828 -15.563 1.00 0.65 C ATOM 1009 C GLY A 68 -11.467 -0.035 -14.366 1.00 0.57 C ATOM 1010 O GLY A 68 -12.568 0.510 -14.405 1.00 0.65 O ATOM 0 H GLY A 68 -9.313 -1.901 -14.860 1.00 0.62 H new ATOM 0 HA2 GLY A 68 -10.261 -0.214 -16.140 1.00 0.65 H new ATOM 0 HA3 GLY A 68 -11.784 -1.077 -16.223 1.00 0.65 H new ATOM 1014 N TYR A 69 -10.661 0.027 -13.304 1.00 0.48 N ATOM 1015 CA TYR A 69 -10.958 0.756 -12.074 1.00 0.43 C ATOM 1016 C TYR A 69 -9.763 1.639 -11.711 1.00 0.40 C ATOM 1017 O TYR A 69 -8.757 1.638 -12.420 1.00 0.46 O ATOM 1018 CB TYR A 69 -11.306 -0.239 -10.961 1.00 0.43 C ATOM 1019 CG TYR A 69 -12.492 -1.123 -11.294 1.00 0.49 C ATOM 1020 CD1 TYR A 69 -12.289 -2.294 -12.042 1.00 1.77 C ATOM 1021 CD2 TYR A 69 -13.803 -0.718 -10.980 1.00 1.84 C ATOM 1022 CE1 TYR A 69 -13.389 -3.038 -12.501 1.00 1.90 C ATOM 1023 CE2 TYR A 69 -14.902 -1.470 -11.432 1.00 1.83 C ATOM 1024 CZ TYR A 69 -14.691 -2.619 -12.209 1.00 0.84 C ATOM 1025 OH TYR A 69 -15.742 -3.347 -12.678 1.00 1.07 O ATOM 0 H TYR A 69 -9.757 -0.444 -13.278 1.00 0.48 H new ATOM 0 HA TYR A 69 -11.821 1.407 -12.212 1.00 0.43 H new ATOM 0 HB2 TYR A 69 -10.438 -0.868 -10.761 1.00 0.43 H new ATOM 0 HB3 TYR A 69 -11.518 0.312 -10.045 1.00 0.43 H new ATOM 0 HD1 TYR A 69 -11.285 -2.624 -12.265 1.00 1.77 H new ATOM 0 HD2 TYR A 69 -13.965 0.172 -10.391 1.00 1.84 H new ATOM 0 HE1 TYR A 69 -13.229 -3.935 -13.080 1.00 1.90 H new ATOM 0 HE2 TYR A 69 -15.907 -1.164 -11.181 1.00 1.83 H new ATOM 0 HH TYR A 69 -16.582 -2.940 -12.378 1.00 1.07 H new ATOM 1035 N HIS A 70 -9.874 2.420 -10.632 1.00 0.37 N ATOM 1036 CA HIS A 70 -8.781 3.252 -10.142 1.00 0.36 C ATOM 1037 C HIS A 70 -8.745 3.194 -8.618 1.00 0.35 C ATOM 1038 O HIS A 70 -9.797 3.154 -7.979 1.00 0.43 O ATOM 1039 CB HIS A 70 -8.938 4.697 -10.642 1.00 0.43 C ATOM 1040 CG HIS A 70 -7.741 5.170 -11.425 1.00 0.61 C ATOM 1041 ND1 HIS A 70 -7.479 4.883 -12.746 1.00 1.60 N ATOM 1042 CD2 HIS A 70 -6.695 5.913 -10.945 1.00 1.91 C ATOM 1043 CE1 HIS A 70 -6.308 5.465 -13.058 1.00 1.45 C ATOM 1044 NE2 HIS A 70 -5.795 6.106 -11.996 1.00 1.82 N ATOM 0 H HIS A 70 -10.726 2.490 -10.076 1.00 0.37 H new ATOM 0 HA HIS A 70 -7.835 2.873 -10.528 1.00 0.36 H new ATOM 0 HB2 HIS A 70 -9.828 4.767 -11.267 1.00 0.43 H new ATOM 0 HB3 HIS A 70 -9.095 5.358 -9.790 1.00 0.43 H new ATOM 0 HD2 HIS A 70 -6.586 6.283 -9.936 1.00 1.91 H new ATOM 0 HE1 HIS A 70 -5.843 5.423 -14.032 1.00 1.45 H new ATOM 0 HE2 HIS A 70 -4.921 6.630 -11.963 1.00 1.82 H new ATOM 1052 N VAL A 71 -7.538 3.177 -8.051 1.00 0.37 N ATOM 1053 CA VAL A 71 -7.296 3.107 -6.622 1.00 0.39 C ATOM 1054 C VAL A 71 -7.059 4.515 -6.078 1.00 0.45 C ATOM 1055 O VAL A 71 -6.365 5.320 -6.699 1.00 0.53 O ATOM 1056 CB VAL A 71 -6.140 2.133 -6.338 1.00 0.42 C ATOM 1057 CG1 VAL A 71 -6.523 0.710 -6.764 1.00 0.53 C ATOM 1058 CG2 VAL A 71 -4.815 2.521 -7.016 1.00 0.47 C ATOM 0 H VAL A 71 -6.678 3.213 -8.598 1.00 0.37 H new ATOM 0 HA VAL A 71 -8.167 2.711 -6.099 1.00 0.39 H new ATOM 0 HB VAL A 71 -5.973 2.183 -5.262 1.00 0.42 H new ATOM 0 HG11 VAL A 71 -5.695 0.033 -6.557 1.00 0.53 H new ATOM 0 HG12 VAL A 71 -7.403 0.388 -6.207 1.00 0.53 H new ATOM 0 HG13 VAL A 71 -6.744 0.697 -7.831 1.00 0.53 H new ATOM 0 HG21 VAL A 71 -4.050 1.785 -6.767 1.00 0.47 H new ATOM 0 HG22 VAL A 71 -4.954 2.549 -8.097 1.00 0.47 H new ATOM 0 HG23 VAL A 71 -4.501 3.504 -6.665 1.00 0.47 H new ATOM 1068 N VAL A 72 -7.657 4.837 -4.928 1.00 0.51 N ATOM 1069 CA VAL A 72 -7.600 6.181 -4.359 1.00 0.63 C ATOM 1070 C VAL A 72 -6.296 6.295 -3.563 1.00 0.66 C ATOM 1071 O VAL A 72 -6.306 6.465 -2.348 1.00 0.90 O ATOM 1072 CB VAL A 72 -8.867 6.428 -3.516 1.00 0.75 C ATOM 1073 CG1 VAL A 72 -8.959 7.878 -3.015 1.00 0.94 C ATOM 1074 CG2 VAL A 72 -10.133 6.129 -4.331 1.00 0.74 C ATOM 0 H VAL A 72 -8.192 4.173 -4.368 1.00 0.51 H new ATOM 0 HA VAL A 72 -7.589 6.957 -5.125 1.00 0.63 H new ATOM 0 HB VAL A 72 -8.795 5.758 -2.660 1.00 0.75 H new ATOM 0 HG11 VAL A 72 -9.868 8.003 -2.426 1.00 0.94 H new ATOM 0 HG12 VAL A 72 -8.091 8.105 -2.395 1.00 0.94 H new ATOM 0 HG13 VAL A 72 -8.983 8.557 -3.868 1.00 0.94 H new ATOM 0 HG21 VAL A 72 -11.014 6.311 -3.715 1.00 0.74 H new ATOM 0 HG22 VAL A 72 -10.163 6.777 -5.207 1.00 0.74 H new ATOM 0 HG23 VAL A 72 -10.122 5.087 -4.651 1.00 0.74 H new ATOM 1084 N THR A 73 -5.166 6.108 -4.244 1.00 0.59 N ATOM 1085 CA THR A 73 -3.853 5.927 -3.635 1.00 0.62 C ATOM 1086 C THR A 73 -2.920 6.997 -4.203 1.00 0.72 C ATOM 1087 O THR A 73 -2.936 7.213 -5.414 1.00 0.82 O ATOM 1088 CB THR A 73 -3.366 4.493 -3.914 1.00 0.61 C ATOM 1089 OG1 THR A 73 -4.471 3.609 -3.963 1.00 0.65 O ATOM 1090 CG2 THR A 73 -2.472 3.974 -2.793 1.00 0.75 C ATOM 0 H THR A 73 -5.140 6.078 -5.263 1.00 0.59 H new ATOM 0 HA THR A 73 -3.882 6.047 -2.552 1.00 0.62 H new ATOM 0 HB THR A 73 -2.820 4.529 -4.857 1.00 0.61 H new ATOM 0 HG1 THR A 73 -4.154 2.699 -4.142 1.00 0.65 H new ATOM 0 HG21 THR A 73 -2.148 2.960 -3.026 1.00 0.75 H new ATOM 0 HG22 THR A 73 -1.599 4.620 -2.695 1.00 0.75 H new ATOM 0 HG23 THR A 73 -3.028 3.971 -1.856 1.00 0.75 H new ATOM 1098 N GLU A 74 -2.195 7.714 -3.335 1.00 0.70 N ATOM 1099 CA GLU A 74 -1.401 8.876 -3.713 1.00 0.76 C ATOM 1100 C GLU A 74 0.041 8.742 -3.232 1.00 0.61 C ATOM 1101 O GLU A 74 0.294 8.281 -2.117 1.00 0.54 O ATOM 1102 CB GLU A 74 -2.036 10.153 -3.139 1.00 0.88 C ATOM 1103 CG GLU A 74 -3.157 10.694 -4.038 1.00 1.74 C ATOM 1104 CD GLU A 74 -2.602 11.568 -5.163 1.00 2.85 C ATOM 1105 OE1 GLU A 74 -1.749 11.063 -5.926 1.00 4.33 O ATOM 1106 OE2 GLU A 74 -3.014 12.746 -5.214 1.00 3.15 O ATOM 0 H GLU A 74 -2.147 7.496 -2.340 1.00 0.70 H new ATOM 0 HA GLU A 74 -1.386 8.939 -4.801 1.00 0.76 H new ATOM 0 HB2 GLU A 74 -2.436 9.944 -2.147 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -1.268 10.917 -3.018 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.716 9.861 -4.465 1.00 1.74 H new ATOM 0 HG3 GLU A 74 -3.858 11.274 -3.438 1.00 1.74 H new ATOM 1113 N LYS A 75 0.962 9.224 -4.076 1.00 0.64 N ATOM 1114 CA LYS A 75 2.400 9.257 -3.846 1.00 0.61 C ATOM 1115 C LYS A 75 2.767 10.496 -3.028 1.00 0.55 C ATOM 1116 O LYS A 75 3.194 11.516 -3.564 1.00 0.68 O ATOM 1117 CB LYS A 75 3.153 9.110 -5.181 1.00 0.78 C ATOM 1118 CG LYS A 75 3.025 10.293 -6.142 1.00 0.94 C ATOM 1119 CD LYS A 75 3.397 9.853 -7.562 1.00 1.08 C ATOM 1120 CE LYS A 75 3.427 11.070 -8.494 1.00 2.01 C ATOM 1121 NZ LYS A 75 3.715 10.684 -9.890 1.00 2.70 N ATOM 0 H LYS A 75 0.705 9.619 -4.980 1.00 0.64 H new ATOM 0 HA LYS A 75 2.717 8.406 -3.243 1.00 0.61 H new ATOM 0 HB2 LYS A 75 4.210 8.951 -4.967 1.00 0.78 H new ATOM 0 HB3 LYS A 75 2.792 8.214 -5.685 1.00 0.78 H new ATOM 0 HG2 LYS A 75 2.005 10.677 -6.126 1.00 0.94 H new ATOM 0 HG3 LYS A 75 3.677 11.106 -5.821 1.00 0.94 H new ATOM 0 HD2 LYS A 75 4.371 9.364 -7.557 1.00 1.08 H new ATOM 0 HD3 LYS A 75 2.675 9.122 -7.927 1.00 1.08 H new ATOM 0 HE2 LYS A 75 2.468 11.585 -8.450 1.00 2.01 H new ATOM 0 HE3 LYS A 75 4.184 11.774 -8.148 1.00 2.01 H new ATOM 0 HZ1 LYS A 75 3.727 11.534 -10.490 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 4.642 10.214 -9.936 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 2.979 10.032 -10.229 1.00 2.70 H new ATOM 1135 N ALA A 76 2.599 10.416 -1.709 1.00 0.47 N ATOM 1136 CA ALA A 76 2.932 11.533 -0.835 1.00 0.49 C ATOM 1137 C ALA A 76 4.426 11.476 -0.517 1.00 0.52 C ATOM 1138 O ALA A 76 4.926 10.408 -0.164 1.00 0.80 O ATOM 1139 CB ALA A 76 2.079 11.460 0.431 1.00 0.52 C ATOM 0 H ALA A 76 2.236 9.593 -1.227 1.00 0.47 H new ATOM 0 HA ALA A 76 2.719 12.484 -1.323 1.00 0.49 H new ATOM 0 HB1 ALA A 76 2.327 12.295 1.086 1.00 0.52 H new ATOM 0 HB2 ALA A 76 1.024 11.511 0.162 1.00 0.52 H new ATOM 0 HB3 ALA A 76 2.277 10.522 0.949 1.00 0.52 H new ATOM 1145 N GLU A 77 5.162 12.585 -0.645 1.00 0.49 N ATOM 1146 CA GLU A 77 6.581 12.588 -0.370 1.00 0.47 C ATOM 1147 C GLU A 77 6.848 13.000 1.080 1.00 0.40 C ATOM 1148 O GLU A 77 6.274 13.965 1.589 1.00 0.56 O ATOM 1149 CB GLU A 77 7.287 13.530 -1.337 1.00 0.60 C ATOM 1150 CG GLU A 77 7.100 13.184 -2.821 1.00 1.01 C ATOM 1151 CD GLU A 77 7.980 14.097 -3.660 1.00 1.72 C ATOM 1152 OE1 GLU A 77 7.646 15.290 -3.800 1.00 2.89 O ATOM 1153 OE2 GLU A 77 9.115 13.686 -3.986 1.00 2.09 O ATOM 0 H GLU A 77 4.787 13.487 -0.938 1.00 0.49 H new ATOM 0 HA GLU A 77 6.972 11.580 -0.509 1.00 0.47 H new ATOM 0 HB2 GLU A 77 6.924 14.543 -1.166 1.00 0.60 H new ATOM 0 HB3 GLU A 77 8.353 13.530 -1.110 1.00 0.60 H new ATOM 0 HG2 GLU A 77 7.362 12.141 -3.000 1.00 1.01 H new ATOM 0 HG3 GLU A 77 6.055 13.303 -3.106 1.00 1.01 H new ATOM 1160 N PHE A 78 7.749 12.271 1.730 1.00 0.43 N ATOM 1161 CA PHE A 78 8.182 12.490 3.096 1.00 0.38 C ATOM 1162 C PHE A 78 9.713 12.507 3.121 1.00 0.37 C ATOM 1163 O PHE A 78 10.369 11.989 2.219 1.00 0.58 O ATOM 1164 CB PHE A 78 7.584 11.398 3.990 1.00 0.43 C ATOM 1165 CG PHE A 78 6.128 11.614 4.379 1.00 0.41 C ATOM 1166 CD1 PHE A 78 5.093 11.398 3.451 1.00 1.93 C ATOM 1167 CD2 PHE A 78 5.795 12.026 5.682 1.00 2.01 C ATOM 1168 CE1 PHE A 78 3.753 11.613 3.816 1.00 1.86 C ATOM 1169 CE2 PHE A 78 4.464 12.260 6.040 1.00 2.16 C ATOM 1170 CZ PHE A 78 3.441 12.074 5.102 1.00 0.78 C ATOM 0 H PHE A 78 8.216 11.476 1.294 1.00 0.43 H new ATOM 0 HA PHE A 78 7.833 13.448 3.481 1.00 0.38 H new ATOM 0 HB2 PHE A 78 7.669 10.441 3.476 1.00 0.43 H new ATOM 0 HB3 PHE A 78 8.181 11.326 4.899 1.00 0.43 H new ATOM 0 HD1 PHE A 78 5.330 11.065 2.451 1.00 1.93 H new ATOM 0 HD2 PHE A 78 6.577 12.163 6.414 1.00 2.01 H new ATOM 0 HE1 PHE A 78 2.963 11.423 3.105 1.00 1.86 H new ATOM 0 HE2 PHE A 78 4.224 12.585 7.042 1.00 2.16 H new ATOM 0 HZ PHE A 78 2.416 12.285 5.369 1.00 0.78 H new ATOM 1180 N ASP A 79 10.259 13.144 4.149 1.00 0.36 N ATOM 1181 CA ASP A 79 11.663 13.334 4.468 1.00 0.39 C ATOM 1182 C ASP A 79 11.952 12.501 5.723 1.00 0.41 C ATOM 1183 O ASP A 79 11.034 12.272 6.509 1.00 0.48 O ATOM 1184 CB ASP A 79 11.862 14.840 4.672 1.00 0.48 C ATOM 1185 CG ASP A 79 13.204 15.186 5.294 1.00 0.76 C ATOM 1186 OD1 ASP A 79 13.295 15.074 6.534 1.00 1.76 O ATOM 1187 OD2 ASP A 79 14.088 15.598 4.516 1.00 1.42 O ATOM 0 H ASP A 79 9.665 13.585 4.851 1.00 0.36 H new ATOM 0 HA ASP A 79 12.352 13.006 3.690 1.00 0.39 H new ATOM 0 HB2 ASP A 79 11.773 15.345 3.710 1.00 0.48 H new ATOM 0 HB3 ASP A 79 11.064 15.223 5.308 1.00 0.48 H new ATOM 1192 N ILE A 80 13.155 11.945 5.883 1.00 0.45 N ATOM 1193 CA ILE A 80 13.460 11.031 6.977 1.00 0.48 C ATOM 1194 C ILE A 80 14.627 11.597 7.785 1.00 0.55 C ATOM 1195 O ILE A 80 15.592 12.069 7.195 1.00 0.57 O ATOM 1196 CB ILE A 80 13.825 9.668 6.377 1.00 0.48 C ATOM 1197 CG1 ILE A 80 12.869 9.252 5.247 1.00 0.41 C ATOM 1198 CG2 ILE A 80 13.894 8.592 7.471 1.00 0.59 C ATOM 1199 CD1 ILE A 80 13.409 8.010 4.560 1.00 0.51 C ATOM 0 H ILE A 80 13.941 12.118 5.257 1.00 0.45 H new ATOM 0 HA ILE A 80 12.603 10.914 7.640 1.00 0.48 H new ATOM 0 HB ILE A 80 14.814 9.768 5.930 1.00 0.48 H new ATOM 0 HG12 ILE A 80 11.876 9.055 5.650 1.00 0.41 H new ATOM 0 HG13 ILE A 80 12.765 10.063 4.527 1.00 0.41 H new ATOM 0 HG21 ILE A 80 14.154 7.633 7.022 1.00 0.59 H new ATOM 0 HG22 ILE A 80 14.652 8.867 8.205 1.00 0.59 H new ATOM 0 HG23 ILE A 80 12.925 8.511 7.963 1.00 0.59 H new ATOM 0 HD11 ILE A 80 12.732 7.714 3.759 1.00 0.51 H new ATOM 0 HD12 ILE A 80 14.393 8.224 4.143 1.00 0.51 H new ATOM 0 HD13 ILE A 80 13.490 7.200 5.284 1.00 0.51 H new ATOM 1211 N GLU A 81 14.574 11.515 9.123 1.00 0.72 N ATOM 1212 CA GLU A 81 15.595 12.108 9.986 1.00 0.76 C ATOM 1213 C GLU A 81 16.167 11.036 10.933 1.00 0.83 C ATOM 1214 O GLU A 81 16.421 11.278 12.110 1.00 1.35 O ATOM 1215 CB GLU A 81 14.937 13.272 10.742 1.00 0.99 C ATOM 1216 CG GLU A 81 15.460 14.674 10.459 1.00 1.14 C ATOM 1217 CD GLU A 81 14.968 15.610 11.557 1.00 1.44 C ATOM 1218 OE1 GLU A 81 13.753 15.893 11.580 1.00 1.92 O ATOM 1219 OE2 GLU A 81 15.774 15.916 12.464 1.00 2.58 O ATOM 0 H GLU A 81 13.827 11.039 9.629 1.00 0.72 H new ATOM 0 HA GLU A 81 16.437 12.491 9.410 1.00 0.76 H new ATOM 0 HB2 GLU A 81 13.870 13.259 10.519 1.00 0.99 H new ATOM 0 HB3 GLU A 81 15.042 13.082 11.810 1.00 0.99 H new ATOM 0 HG2 GLU A 81 16.549 14.671 10.425 1.00 1.14 H new ATOM 0 HG3 GLU A 81 15.112 15.018 9.485 1.00 1.14 H new ATOM 1226 N GLY A 82 16.340 9.818 10.432 1.00 1.25 N ATOM 1227 CA GLY A 82 16.755 8.676 11.246 1.00 1.41 C ATOM 1228 C GLY A 82 17.899 7.892 10.624 1.00 1.24 C ATOM 1229 O GLY A 82 18.825 7.474 11.316 1.00 1.58 O ATOM 0 H GLY A 82 16.197 9.592 9.448 1.00 1.25 H new ATOM 0 HA2 GLY A 82 17.057 9.029 12.232 1.00 1.41 H new ATOM 0 HA3 GLY A 82 15.903 8.012 11.393 1.00 1.41 H new ATOM 1233 N MET A 83 17.804 7.646 9.317 1.00 0.98 N ATOM 1234 CA MET A 83 18.784 6.869 8.593 1.00 0.98 C ATOM 1235 C MET A 83 20.178 7.486 8.620 1.00 1.08 C ATOM 1236 O MET A 83 20.379 8.642 8.974 1.00 1.75 O ATOM 1237 CB MET A 83 18.291 6.574 7.171 1.00 1.19 C ATOM 1238 CG MET A 83 18.373 7.763 6.203 1.00 1.19 C ATOM 1239 SD MET A 83 17.321 9.205 6.532 1.00 2.59 S ATOM 1240 CE MET A 83 18.458 10.371 7.313 1.00 4.09 C ATOM 0 H MET A 83 17.037 7.986 8.737 1.00 0.98 H new ATOM 0 HA MET A 83 18.892 5.917 9.112 1.00 0.98 H new ATOM 0 HB2 MET A 83 18.875 5.750 6.762 1.00 1.19 H new ATOM 0 HB3 MET A 83 17.256 6.236 7.223 1.00 1.19 H new ATOM 0 HG2 MET A 83 19.408 8.103 6.180 1.00 1.19 H new ATOM 0 HG3 MET A 83 18.135 7.397 5.204 1.00 1.19 H new ATOM 0 HE1 MET A 83 18.127 11.390 7.115 1.00 4.09 H new ATOM 0 HE2 MET A 83 18.475 10.197 8.389 1.00 4.09 H new ATOM 0 HE3 MET A 83 19.460 10.230 6.907 1.00 4.09 H new ATOM 1285 N ALA A 87 20.664 1.355 6.649 1.00 1.30 N ATOM 1286 CA ALA A 87 19.973 0.230 7.267 1.00 1.03 C ATOM 1287 C ALA A 87 18.553 0.637 7.632 1.00 0.93 C ATOM 1288 O ALA A 87 17.590 -0.036 7.259 1.00 0.84 O ATOM 1289 CB ALA A 87 20.752 -0.232 8.500 1.00 1.99 C ATOM 0 HA ALA A 87 19.917 -0.602 6.565 1.00 1.03 H new ATOM 0 HB1 ALA A 87 20.236 -1.073 8.962 1.00 1.99 H new ATOM 0 HB2 ALA A 87 21.754 -0.540 8.203 1.00 1.99 H new ATOM 0 HB3 ALA A 87 20.822 0.588 9.215 1.00 1.99 H new ATOM 1295 N CYS A 88 18.416 1.768 8.335 1.00 0.99 N ATOM 1296 CA CYS A 88 17.121 2.275 8.750 1.00 0.87 C ATOM 1297 C CYS A 88 16.262 2.458 7.510 1.00 0.67 C ATOM 1298 O CYS A 88 15.105 2.063 7.509 1.00 0.64 O ATOM 1299 CB CYS A 88 17.247 3.614 9.481 1.00 0.95 C ATOM 1300 SG CYS A 88 18.515 3.576 10.776 1.00 0.98 S ATOM 0 H CYS A 88 19.202 2.349 8.627 1.00 0.99 H new ATOM 0 HA CYS A 88 16.669 1.562 9.439 1.00 0.87 H new ATOM 0 HB2 CYS A 88 17.489 4.396 8.762 1.00 0.95 H new ATOM 0 HB3 CYS A 88 16.286 3.875 9.924 1.00 0.95 H new ATOM 0 HG CYS A 88 17.957 3.766 11.935 1.00 0.98 H new ATOM 1306 N ALA A 89 16.847 3.014 6.442 1.00 0.71 N ATOM 1307 CA ALA A 89 16.149 3.216 5.179 1.00 0.68 C ATOM 1308 C ALA A 89 15.610 1.888 4.641 1.00 0.63 C ATOM 1309 O ALA A 89 14.444 1.782 4.269 1.00 0.57 O ATOM 1310 CB ALA A 89 17.087 3.886 4.171 1.00 0.90 C ATOM 0 H ALA A 89 17.816 3.334 6.435 1.00 0.71 H new ATOM 0 HA ALA A 89 15.295 3.873 5.344 1.00 0.68 H new ATOM 0 HB1 ALA A 89 16.561 4.035 3.228 1.00 0.90 H new ATOM 0 HB2 ALA A 89 17.412 4.850 4.562 1.00 0.90 H new ATOM 0 HB3 ALA A 89 17.957 3.250 4.005 1.00 0.90 H new ATOM 1316 N ASN A 90 16.450 0.852 4.618 1.00 0.72 N ATOM 1317 CA ASN A 90 16.022 -0.444 4.113 1.00 0.74 C ATOM 1318 C ASN A 90 14.868 -0.985 4.959 1.00 0.71 C ATOM 1319 O ASN A 90 13.845 -1.419 4.431 1.00 0.71 O ATOM 1320 CB ASN A 90 17.191 -1.439 4.047 1.00 0.92 C ATOM 1321 CG ASN A 90 17.962 -1.316 2.736 1.00 1.15 C ATOM 1322 OD1 ASN A 90 17.481 -1.746 1.694 1.00 2.32 O ATOM 1323 ND2 ASN A 90 19.162 -0.746 2.758 1.00 1.18 N ATOM 0 H ASN A 90 17.417 0.888 4.940 1.00 0.72 H new ATOM 0 HA ASN A 90 15.664 -0.312 3.092 1.00 0.74 H new ATOM 0 HB2 ASN A 90 17.866 -1.263 4.884 1.00 0.92 H new ATOM 0 HB3 ASN A 90 16.811 -2.455 4.152 1.00 0.92 H new ATOM 0 HD21 ASN A 90 19.701 -0.660 1.897 1.00 1.18 H new ATOM 0 HD22 ASN A 90 19.544 -0.395 3.636 1.00 1.18 H new ATOM 1330 N ARG A 91 15.007 -0.943 6.286 1.00 0.77 N ATOM 1331 CA ARG A 91 13.941 -1.417 7.157 1.00 0.88 C ATOM 1332 C ARG A 91 12.660 -0.607 6.952 1.00 0.75 C ATOM 1333 O ARG A 91 11.577 -1.180 6.846 1.00 0.78 O ATOM 1334 CB ARG A 91 14.371 -1.423 8.637 1.00 1.09 C ATOM 1335 CG ARG A 91 14.697 -2.845 9.134 1.00 1.53 C ATOM 1336 CD ARG A 91 14.201 -3.087 10.568 1.00 2.22 C ATOM 1337 NE ARG A 91 14.024 -4.528 10.821 1.00 3.06 N ATOM 1338 CZ ARG A 91 13.346 -5.049 11.858 1.00 4.08 C ATOM 1339 NH1 ARG A 91 12.971 -4.259 12.870 1.00 4.71 N ATOM 1340 NH2 ARG A 91 13.037 -6.350 11.869 1.00 5.06 N ATOM 0 H ARG A 91 15.833 -0.592 6.770 1.00 0.77 H new ATOM 0 HA ARG A 91 13.730 -2.450 6.880 1.00 0.88 H new ATOM 0 HB2 ARG A 91 15.245 -0.785 8.764 1.00 1.09 H new ATOM 0 HB3 ARG A 91 13.575 -0.998 9.248 1.00 1.09 H new ATOM 0 HG2 ARG A 91 14.241 -3.575 8.466 1.00 1.53 H new ATOM 0 HG3 ARG A 91 15.774 -3.004 9.092 1.00 1.53 H new ATOM 0 HD2 ARG A 91 14.915 -2.673 11.280 1.00 2.22 H new ATOM 0 HD3 ARG A 91 13.256 -2.566 10.724 1.00 2.22 H new ATOM 0 HE ARG A 91 14.448 -5.179 10.160 1.00 3.06 H new ATOM 0 HH11 ARG A 91 13.200 -3.265 12.853 1.00 4.71 H new ATOM 0 HH12 ARG A 91 12.456 -4.650 13.659 1.00 4.71 H new ATOM 0 HH21 ARG A 91 13.316 -6.947 11.090 1.00 5.06 H new ATOM 0 HH22 ARG A 91 12.522 -6.745 12.656 1.00 5.06 H new ATOM 1354 N ILE A 92 12.764 0.722 6.915 1.00 0.67 N ATOM 1355 CA ILE A 92 11.608 1.585 6.777 1.00 0.58 C ATOM 1356 C ILE A 92 10.917 1.328 5.439 1.00 0.56 C ATOM 1357 O ILE A 92 9.693 1.337 5.394 1.00 0.58 O ATOM 1358 CB ILE A 92 11.989 3.057 7.039 1.00 0.61 C ATOM 1359 CG1 ILE A 92 10.939 3.715 7.938 1.00 2.11 C ATOM 1360 CG2 ILE A 92 12.211 3.886 5.767 1.00 2.79 C ATOM 1361 CD1 ILE A 92 11.386 5.118 8.343 1.00 2.40 C ATOM 0 H ILE A 92 13.651 1.221 6.980 1.00 0.67 H new ATOM 0 HA ILE A 92 10.867 1.347 7.541 1.00 0.58 H new ATOM 0 HB ILE A 92 12.955 3.037 7.543 1.00 0.61 H new ATOM 0 HG12 ILE A 92 9.985 3.768 7.414 1.00 2.11 H new ATOM 0 HG13 ILE A 92 10.781 3.106 8.828 1.00 2.11 H new ATOM 0 HG21 ILE A 92 12.475 4.908 6.040 1.00 2.79 H new ATOM 0 HG22 ILE A 92 13.019 3.446 5.183 1.00 2.79 H new ATOM 0 HG23 ILE A 92 11.297 3.894 5.174 1.00 2.79 H new ATOM 0 HD11 ILE A 92 10.628 5.571 8.982 1.00 2.40 H new ATOM 0 HD12 ILE A 92 12.329 5.057 8.886 1.00 2.40 H new ATOM 0 HD13 ILE A 92 11.521 5.729 7.450 1.00 2.40 H new ATOM 1373 N GLU A 93 11.680 1.034 4.379 1.00 0.56 N ATOM 1374 CA GLU A 93 11.143 0.662 3.086 1.00 0.58 C ATOM 1375 C GLU A 93 10.292 -0.589 3.260 1.00 0.59 C ATOM 1376 O GLU A 93 9.108 -0.599 2.921 1.00 0.66 O ATOM 1377 CB GLU A 93 12.304 0.435 2.104 1.00 0.64 C ATOM 1378 CG GLU A 93 11.808 0.200 0.675 1.00 0.71 C ATOM 1379 CD GLU A 93 11.936 -1.252 0.220 1.00 1.21 C ATOM 1380 OE1 GLU A 93 11.415 -2.131 0.941 1.00 2.23 O ATOM 1381 OE2 GLU A 93 12.544 -1.467 -0.847 1.00 1.92 O ATOM 0 H GLU A 93 12.699 1.051 4.407 1.00 0.56 H new ATOM 0 HA GLU A 93 10.514 1.453 2.677 1.00 0.58 H new ATOM 0 HB2 GLU A 93 12.967 1.300 2.120 1.00 0.64 H new ATOM 0 HB3 GLU A 93 12.892 -0.423 2.430 1.00 0.64 H new ATOM 0 HG2 GLU A 93 10.763 0.504 0.606 1.00 0.71 H new ATOM 0 HG3 GLU A 93 12.371 0.838 -0.007 1.00 0.71 H new ATOM 1388 N LYS A 94 10.892 -1.631 3.840 1.00 0.57 N ATOM 1389 CA LYS A 94 10.254 -2.929 3.991 1.00 0.60 C ATOM 1390 C LYS A 94 9.059 -2.852 4.947 1.00 0.54 C ATOM 1391 O LYS A 94 8.128 -3.648 4.830 1.00 0.59 O ATOM 1392 CB LYS A 94 11.296 -3.960 4.449 1.00 0.66 C ATOM 1393 CG LYS A 94 12.437 -4.143 3.430 1.00 0.87 C ATOM 1394 CD LYS A 94 12.079 -4.982 2.196 1.00 1.55 C ATOM 1395 CE LYS A 94 11.938 -6.475 2.527 1.00 2.62 C ATOM 1396 NZ LYS A 94 11.807 -7.296 1.306 1.00 3.82 N ATOM 0 H LYS A 94 11.839 -1.592 4.218 1.00 0.57 H new ATOM 0 HA LYS A 94 9.857 -3.249 3.028 1.00 0.60 H new ATOM 0 HB2 LYS A 94 11.715 -3.647 5.405 1.00 0.66 H new ATOM 0 HB3 LYS A 94 10.805 -4.919 4.614 1.00 0.66 H new ATOM 0 HG2 LYS A 94 12.768 -3.159 3.098 1.00 0.87 H new ATOM 0 HG3 LYS A 94 13.283 -4.610 3.935 1.00 0.87 H new ATOM 0 HD2 LYS A 94 11.145 -4.617 1.770 1.00 1.55 H new ATOM 0 HD3 LYS A 94 12.849 -4.852 1.435 1.00 1.55 H new ATOM 0 HE2 LYS A 94 12.807 -6.805 3.096 1.00 2.62 H new ATOM 0 HE3 LYS A 94 11.065 -6.626 3.162 1.00 2.62 H new ATOM 0 HZ1 LYS A 94 11.714 -8.298 1.570 1.00 3.82 H new ATOM 0 HZ2 LYS A 94 10.963 -6.998 0.776 1.00 3.82 H new ATOM 0 HZ3 LYS A 94 12.651 -7.171 0.712 1.00 3.82 H new ATOM 1410 N ARG A 95 9.074 -1.915 5.898 1.00 0.48 N ATOM 1411 CA ARG A 95 7.901 -1.630 6.720 1.00 0.43 C ATOM 1412 C ARG A 95 6.832 -0.886 5.916 1.00 0.37 C ATOM 1413 O ARG A 95 5.772 -1.442 5.615 1.00 0.41 O ATOM 1414 CB ARG A 95 8.309 -0.831 7.959 1.00 0.46 C ATOM 1415 CG ARG A 95 9.110 -1.660 8.970 1.00 0.81 C ATOM 1416 CD ARG A 95 8.222 -2.443 9.952 1.00 0.91 C ATOM 1417 NE ARG A 95 7.733 -3.714 9.394 1.00 1.88 N ATOM 1418 CZ ARG A 95 6.893 -4.548 10.032 1.00 2.43 C ATOM 1419 NH1 ARG A 95 6.338 -4.177 11.193 1.00 2.73 N ATOM 1420 NH2 ARG A 95 6.623 -5.754 9.519 1.00 3.65 N ATOM 0 H ARG A 95 9.888 -1.341 6.116 1.00 0.48 H new ATOM 0 HA ARG A 95 7.469 -2.577 7.044 1.00 0.43 H new ATOM 0 HB2 ARG A 95 8.904 0.029 7.650 1.00 0.46 H new ATOM 0 HB3 ARG A 95 7.414 -0.442 8.445 1.00 0.46 H new ATOM 0 HG2 ARG A 95 9.749 -2.360 8.431 1.00 0.81 H new ATOM 0 HG3 ARG A 95 9.767 -0.998 9.534 1.00 0.81 H new ATOM 0 HD2 ARG A 95 8.786 -2.645 10.862 1.00 0.91 H new ATOM 0 HD3 ARG A 95 7.370 -1.825 10.236 1.00 0.91 H new ATOM 0 HE ARG A 95 8.052 -3.980 8.462 1.00 1.88 H new ATOM 0 HH11 ARG A 95 6.553 -3.263 11.592 1.00 2.73 H new ATOM 0 HH12 ARG A 95 5.701 -4.808 11.678 1.00 2.73 H new ATOM 0 HH21 ARG A 95 7.055 -6.043 8.641 1.00 3.65 H new ATOM 0 HH22 ARG A 95 5.985 -6.384 10.006 1.00 3.65 H new ATOM 1434 N LEU A 96 7.119 0.382 5.597 1.00 0.33 N ATOM 1435 CA LEU A 96 6.217 1.307 4.923 1.00 0.33 C ATOM 1436 C LEU A 96 5.563 0.641 3.715 1.00 0.37 C ATOM 1437 O LEU A 96 4.368 0.827 3.511 1.00 0.41 O ATOM 1438 CB LEU A 96 6.915 2.616 4.566 1.00 0.36 C ATOM 1439 CG LEU A 96 7.122 3.538 5.789 1.00 0.42 C ATOM 1440 CD1 LEU A 96 8.030 4.667 5.330 1.00 0.75 C ATOM 1441 CD2 LEU A 96 5.818 4.173 6.288 1.00 1.27 C ATOM 0 H LEU A 96 8.023 0.802 5.812 1.00 0.33 H new ATOM 0 HA LEU A 96 5.418 1.570 5.617 1.00 0.33 H new ATOM 0 HB2 LEU A 96 7.883 2.395 4.115 1.00 0.36 H new ATOM 0 HB3 LEU A 96 6.327 3.143 3.815 1.00 0.36 H new ATOM 0 HG LEU A 96 7.533 2.943 6.605 1.00 0.42 H new ATOM 0 HD11 LEU A 96 8.209 5.350 6.160 1.00 0.75 H new ATOM 0 HD12 LEU A 96 8.979 4.254 4.989 1.00 0.75 H new ATOM 0 HD13 LEU A 96 7.554 5.207 4.512 1.00 0.75 H new ATOM 0 HD21 LEU A 96 6.029 4.809 7.148 1.00 1.27 H new ATOM 0 HD22 LEU A 96 5.378 4.773 5.492 1.00 1.27 H new ATOM 0 HD23 LEU A 96 5.120 3.389 6.580 1.00 1.27 H new ATOM 1453 N ASN A 97 6.326 -0.199 2.998 1.00 0.43 N ATOM 1454 CA ASN A 97 5.891 -1.082 1.913 1.00 0.54 C ATOM 1455 C ASN A 97 4.431 -1.496 2.034 1.00 0.60 C ATOM 1456 O ASN A 97 3.704 -1.464 1.046 1.00 0.65 O ATOM 1457 CB ASN A 97 6.721 -2.382 1.935 1.00 0.77 C ATOM 1458 CG ASN A 97 7.491 -2.627 0.647 1.00 0.77 C ATOM 1459 OD1 ASN A 97 7.100 -3.460 -0.167 1.00 1.26 O ATOM 1460 ND2 ASN A 97 8.616 -1.944 0.492 1.00 1.28 N ATOM 0 H ASN A 97 7.327 -0.282 3.175 1.00 0.43 H new ATOM 0 HA ASN A 97 6.028 -0.516 0.991 1.00 0.54 H new ATOM 0 HB2 ASN A 97 7.423 -2.342 2.768 1.00 0.77 H new ATOM 0 HB3 ASN A 97 6.056 -3.226 2.119 1.00 0.77 H new ATOM 0 HD21 ASN A 97 9.198 -2.100 -0.331 1.00 1.28 H new ATOM 0 HD22 ASN A 97 8.900 -1.262 1.196 1.00 1.28 H new ATOM 1467 N LYS A 98 4.032 -1.954 3.226 1.00 0.62 N ATOM 1468 CA LYS A 98 2.676 -2.440 3.437 1.00 0.65 C ATOM 1469 C LYS A 98 2.243 -2.275 4.897 1.00 0.78 C ATOM 1470 O LYS A 98 1.939 -3.254 5.573 1.00 1.01 O ATOM 1471 CB LYS A 98 2.557 -3.879 2.899 1.00 0.65 C ATOM 1472 CG LYS A 98 3.302 -4.933 3.742 1.00 1.05 C ATOM 1473 CD LYS A 98 2.309 -5.902 4.421 1.00 2.76 C ATOM 1474 CE LYS A 98 2.609 -6.312 5.876 1.00 3.90 C ATOM 1475 NZ LYS A 98 3.253 -7.641 5.993 1.00 4.59 N ATOM 0 H LYS A 98 4.630 -1.996 4.051 1.00 0.62 H new ATOM 0 HA LYS A 98 1.971 -1.832 2.870 1.00 0.65 H new ATOM 0 HB2 LYS A 98 1.502 -4.150 2.849 1.00 0.65 H new ATOM 0 HB3 LYS A 98 2.942 -3.907 1.880 1.00 0.65 H new ATOM 0 HG2 LYS A 98 3.986 -5.495 3.106 1.00 1.05 H new ATOM 0 HG3 LYS A 98 3.907 -4.436 4.500 1.00 1.05 H new ATOM 0 HD2 LYS A 98 1.320 -5.445 4.396 1.00 2.76 H new ATOM 0 HD3 LYS A 98 2.256 -6.809 3.818 1.00 2.76 H new ATOM 0 HE2 LYS A 98 3.256 -5.562 6.331 1.00 3.90 H new ATOM 0 HE3 LYS A 98 1.678 -6.316 6.443 1.00 3.90 H new ATOM 0 HZ1 LYS A 98 3.427 -7.855 6.996 1.00 4.59 H new ATOM 0 HZ2 LYS A 98 2.628 -8.367 5.587 1.00 4.59 H new ATOM 0 HZ3 LYS A 98 4.157 -7.635 5.478 1.00 4.59 H new ATOM 1489 N ILE A 99 2.206 -1.039 5.399 1.00 0.70 N ATOM 1490 CA ILE A 99 1.707 -0.804 6.754 1.00 0.76 C ATOM 1491 C ILE A 99 0.239 -1.241 6.876 1.00 0.88 C ATOM 1492 O ILE A 99 -0.088 -1.987 7.795 1.00 1.36 O ATOM 1493 CB ILE A 99 1.980 0.646 7.194 1.00 0.72 C ATOM 1494 CG1 ILE A 99 3.471 0.834 7.530 1.00 0.66 C ATOM 1495 CG2 ILE A 99 1.116 1.084 8.383 1.00 0.93 C ATOM 1496 CD1 ILE A 99 3.924 0.258 8.879 1.00 1.35 C ATOM 0 H ILE A 99 2.509 -0.202 4.900 1.00 0.70 H new ATOM 0 HA ILE A 99 2.256 -1.428 7.459 1.00 0.76 H new ATOM 0 HB ILE A 99 1.709 1.282 6.351 1.00 0.72 H new ATOM 0 HG12 ILE A 99 4.064 0.372 6.740 1.00 0.66 H new ATOM 0 HG13 ILE A 99 3.697 1.900 7.516 1.00 0.66 H new ATOM 0 HG21 ILE A 99 1.355 2.115 8.646 1.00 0.93 H new ATOM 0 HG22 ILE A 99 0.062 1.013 8.113 1.00 0.93 H new ATOM 0 HG23 ILE A 99 1.316 0.436 9.236 1.00 0.93 H new ATOM 0 HD11 ILE A 99 4.989 0.445 9.015 1.00 1.35 H new ATOM 0 HD12 ILE A 99 3.366 0.735 9.684 1.00 1.35 H new ATOM 0 HD13 ILE A 99 3.739 -0.816 8.897 1.00 1.35 H new ATOM 1508 N GLU A 100 -0.623 -0.818 5.942 1.00 0.76 N ATOM 1509 CA GLU A 100 -2.014 -1.272 5.883 1.00 0.74 C ATOM 1510 C GLU A 100 -2.566 -1.122 4.461 1.00 0.79 C ATOM 1511 O GLU A 100 -2.871 -2.104 3.779 1.00 1.38 O ATOM 1512 CB GLU A 100 -2.879 -0.496 6.899 1.00 0.79 C ATOM 1513 CG GLU A 100 -3.672 -1.454 7.796 1.00 1.33 C ATOM 1514 CD GLU A 100 -4.792 -0.744 8.547 1.00 2.14 C ATOM 1515 OE1 GLU A 100 -4.677 0.488 8.715 1.00 2.82 O ATOM 1516 OE2 GLU A 100 -5.751 -1.452 8.924 1.00 3.04 O ATOM 0 H GLU A 100 -0.374 -0.153 5.209 1.00 0.76 H new ATOM 0 HA GLU A 100 -2.048 -2.329 6.149 1.00 0.74 H new ATOM 0 HB2 GLU A 100 -2.241 0.139 7.514 1.00 0.79 H new ATOM 0 HB3 GLU A 100 -3.566 0.162 6.368 1.00 0.79 H new ATOM 0 HG2 GLU A 100 -4.095 -2.253 7.187 1.00 1.33 H new ATOM 0 HG3 GLU A 100 -2.996 -1.922 8.512 1.00 1.33 H new ATOM 1523 N GLY A 101 -2.671 0.133 4.017 1.00 0.65 N ATOM 1524 CA GLY A 101 -3.196 0.505 2.712 1.00 0.66 C ATOM 1525 C GLY A 101 -2.148 1.284 1.938 1.00 0.64 C ATOM 1526 O GLY A 101 -2.442 2.332 1.363 1.00 0.77 O ATOM 0 H GLY A 101 -2.384 0.937 4.575 1.00 0.65 H new ATOM 0 HA2 GLY A 101 -3.482 -0.388 2.157 1.00 0.66 H new ATOM 0 HA3 GLY A 101 -4.096 1.108 2.831 1.00 0.66 H new ATOM 1530 N VAL A 102 -0.921 0.760 1.947 1.00 0.56 N ATOM 1531 CA VAL A 102 0.202 1.298 1.204 1.00 0.53 C ATOM 1532 C VAL A 102 0.402 0.409 -0.011 1.00 0.52 C ATOM 1533 O VAL A 102 0.557 -0.799 0.139 1.00 0.51 O ATOM 1534 CB VAL A 102 1.464 1.366 2.077 1.00 0.49 C ATOM 1535 CG1 VAL A 102 2.554 2.111 1.297 1.00 0.49 C ATOM 1536 CG2 VAL A 102 1.180 2.060 3.414 1.00 0.50 C ATOM 0 H VAL A 102 -0.683 -0.072 2.488 1.00 0.56 H new ATOM 0 HA VAL A 102 0.001 2.322 0.889 1.00 0.53 H new ATOM 0 HB VAL A 102 1.799 0.355 2.309 1.00 0.49 H new ATOM 0 HG11 VAL A 102 3.459 2.169 1.902 1.00 0.49 H new ATOM 0 HG12 VAL A 102 2.770 1.576 0.372 1.00 0.49 H new ATOM 0 HG13 VAL A 102 2.209 3.118 1.062 1.00 0.49 H new ATOM 0 HG21 VAL A 102 2.093 2.092 4.008 1.00 0.50 H new ATOM 0 HG22 VAL A 102 0.831 3.076 3.230 1.00 0.50 H new ATOM 0 HG23 VAL A 102 0.413 1.506 3.956 1.00 0.50 H new ATOM 1546 N ALA A 103 0.371 0.998 -1.203 1.00 0.54 N ATOM 1547 CA ALA A 103 0.675 0.277 -2.419 1.00 0.55 C ATOM 1548 C ALA A 103 2.188 0.124 -2.543 1.00 0.53 C ATOM 1549 O ALA A 103 2.684 -0.962 -2.829 1.00 0.57 O ATOM 1550 CB ALA A 103 0.098 1.018 -3.621 1.00 0.60 C ATOM 0 H ALA A 103 0.136 1.980 -1.345 1.00 0.54 H new ATOM 0 HA ALA A 103 0.223 -0.714 -2.387 1.00 0.55 H new ATOM 0 HB1 ALA A 103 0.331 0.469 -4.533 1.00 0.60 H new ATOM 0 HB2 ALA A 103 -0.984 1.100 -3.513 1.00 0.60 H new ATOM 0 HB3 ALA A 103 0.534 2.016 -3.677 1.00 0.60 H new ATOM 1556 N ASN A 104 2.933 1.218 -2.343 1.00 0.51 N ATOM 1557 CA ASN A 104 4.384 1.222 -2.516 1.00 0.52 C ATOM 1558 C ASN A 104 5.014 2.223 -1.560 1.00 0.47 C ATOM 1559 O ASN A 104 4.333 3.102 -1.034 1.00 0.47 O ATOM 1560 CB ASN A 104 4.787 1.565 -3.960 1.00 0.58 C ATOM 1561 CG ASN A 104 4.204 0.602 -4.984 1.00 0.60 C ATOM 1562 OD1 ASN A 104 4.813 -0.415 -5.305 1.00 0.79 O ATOM 1563 ND2 ASN A 104 3.026 0.918 -5.511 1.00 0.60 N ATOM 0 H ASN A 104 2.547 2.118 -2.059 1.00 0.51 H new ATOM 0 HA ASN A 104 4.746 0.218 -2.297 1.00 0.52 H new ATOM 0 HB2 ASN A 104 4.457 2.578 -4.193 1.00 0.58 H new ATOM 0 HB3 ASN A 104 5.874 1.557 -4.040 1.00 0.58 H new ATOM 0 HD21 ASN A 104 2.598 0.307 -6.207 1.00 0.60 H new ATOM 0 HD22 ASN A 104 2.549 1.771 -5.220 1.00 0.60 H new ATOM 1570 N ALA A 105 6.326 2.100 -1.353 1.00 0.44 N ATOM 1571 CA ALA A 105 7.058 2.995 -0.459 1.00 0.40 C ATOM 1572 C ALA A 105 8.556 3.103 -0.786 1.00 0.41 C ATOM 1573 O ALA A 105 9.383 2.765 0.060 1.00 0.44 O ATOM 1574 CB ALA A 105 6.847 2.560 0.996 1.00 0.48 C ATOM 0 H ALA A 105 6.904 1.386 -1.795 1.00 0.44 H new ATOM 0 HA ALA A 105 6.651 3.995 -0.610 1.00 0.40 H new ATOM 0 HB1 ALA A 105 7.394 3.230 1.659 1.00 0.48 H new ATOM 0 HB2 ALA A 105 5.785 2.599 1.237 1.00 0.48 H new ATOM 0 HB3 ALA A 105 7.212 1.541 1.128 1.00 0.48 H new ATOM 1580 N PRO A 106 8.945 3.554 -1.990 1.00 0.43 N ATOM 1581 CA PRO A 106 10.348 3.651 -2.357 1.00 0.47 C ATOM 1582 C PRO A 106 11.058 4.757 -1.562 1.00 0.43 C ATOM 1583 O PRO A 106 10.538 5.866 -1.410 1.00 0.42 O ATOM 1584 CB PRO A 106 10.364 3.907 -3.866 1.00 0.53 C ATOM 1585 CG PRO A 106 9.028 4.601 -4.121 1.00 0.50 C ATOM 1586 CD PRO A 106 8.091 3.959 -3.095 1.00 0.44 C ATOM 0 HA PRO A 106 10.895 2.739 -2.117 1.00 0.47 H new ATOM 0 HB2 PRO A 106 11.205 4.535 -4.158 1.00 0.53 H new ATOM 0 HB3 PRO A 106 10.449 2.978 -4.430 1.00 0.53 H new ATOM 0 HG2 PRO A 106 9.102 5.679 -3.978 1.00 0.50 H new ATOM 0 HG3 PRO A 106 8.679 4.438 -5.141 1.00 0.50 H new ATOM 0 HD2 PRO A 106 7.329 4.664 -2.764 1.00 0.44 H new ATOM 0 HD3 PRO A 106 7.569 3.103 -3.522 1.00 0.44 H new ATOM 1594 N VAL A 107 12.261 4.436 -1.070 1.00 0.46 N ATOM 1595 CA VAL A 107 13.131 5.331 -0.318 1.00 0.45 C ATOM 1596 C VAL A 107 14.250 5.852 -1.227 1.00 0.50 C ATOM 1597 O VAL A 107 14.705 5.137 -2.119 1.00 0.58 O ATOM 1598 CB VAL A 107 13.680 4.617 0.935 1.00 0.50 C ATOM 1599 CG1 VAL A 107 12.535 4.132 1.833 1.00 1.50 C ATOM 1600 CG2 VAL A 107 14.593 3.424 0.613 1.00 1.72 C ATOM 0 H VAL A 107 12.665 3.508 -1.193 1.00 0.46 H new ATOM 0 HA VAL A 107 12.560 6.192 0.029 1.00 0.45 H new ATOM 0 HB VAL A 107 14.282 5.364 1.452 1.00 0.50 H new ATOM 0 HG11 VAL A 107 12.947 3.632 2.710 1.00 1.50 H new ATOM 0 HG12 VAL A 107 11.935 4.985 2.150 1.00 1.50 H new ATOM 0 HG13 VAL A 107 11.908 3.434 1.278 1.00 1.50 H new ATOM 0 HG21 VAL A 107 14.941 2.971 1.541 1.00 1.72 H new ATOM 0 HG22 VAL A 107 14.037 2.686 0.036 1.00 1.72 H new ATOM 0 HG23 VAL A 107 15.450 3.768 0.033 1.00 1.72 H new ATOM 1610 N ASN A 108 14.701 7.090 -1.003 1.00 0.52 N ATOM 1611 CA ASN A 108 15.791 7.726 -1.730 1.00 0.62 C ATOM 1612 C ASN A 108 16.932 8.001 -0.769 1.00 0.76 C ATOM 1613 O ASN A 108 16.730 8.637 0.262 1.00 1.76 O ATOM 1614 CB ASN A 108 15.366 9.087 -2.287 1.00 0.64 C ATOM 1615 CG ASN A 108 14.276 9.017 -3.343 1.00 0.84 C ATOM 1616 OD1 ASN A 108 13.096 9.107 -3.024 1.00 1.26 O ATOM 1617 ND2 ASN A 108 14.664 8.910 -4.612 1.00 1.41 N ATOM 0 H ASN A 108 14.300 7.693 -0.285 1.00 0.52 H new ATOM 0 HA ASN A 108 16.080 7.058 -2.541 1.00 0.62 H new ATOM 0 HB2 ASN A 108 15.019 9.711 -1.464 1.00 0.64 H new ATOM 0 HB3 ASN A 108 16.239 9.580 -2.715 1.00 0.64 H new ATOM 0 HD21 ASN A 108 13.969 8.901 -5.359 1.00 1.41 H new ATOM 0 HD22 ASN A 108 15.656 8.837 -4.838 1.00 1.41 H new ATOM 1624 N PHE A 109 18.144 7.610 -1.163 1.00 0.80 N ATOM 1625 CA PHE A 109 19.361 7.887 -0.411 1.00 0.81 C ATOM 1626 C PHE A 109 20.074 9.144 -0.919 1.00 0.93 C ATOM 1627 O PHE A 109 21.185 9.441 -0.493 1.00 1.40 O ATOM 1628 CB PHE A 109 20.275 6.658 -0.481 1.00 0.81 C ATOM 1629 CG PHE A 109 20.828 6.282 0.873 1.00 1.16 C ATOM 1630 CD1 PHE A 109 19.969 5.678 1.807 1.00 1.62 C ATOM 1631 CD2 PHE A 109 22.075 6.782 1.289 1.00 2.61 C ATOM 1632 CE1 PHE A 109 20.339 5.605 3.158 1.00 1.91 C ATOM 1633 CE2 PHE A 109 22.467 6.661 2.633 1.00 3.08 C ATOM 1634 CZ PHE A 109 21.596 6.080 3.572 1.00 2.26 C ATOM 0 H PHE A 109 18.307 7.086 -2.023 1.00 0.80 H new ATOM 0 HA PHE A 109 19.098 8.086 0.628 1.00 0.81 H new ATOM 0 HB2 PHE A 109 19.718 5.816 -0.891 1.00 0.81 H new ATOM 0 HB3 PHE A 109 21.099 6.858 -1.166 1.00 0.81 H new ATOM 0 HD1 PHE A 109 19.023 5.270 1.484 1.00 1.62 H new ATOM 0 HD2 PHE A 109 22.731 7.259 0.576 1.00 2.61 H new ATOM 0 HE1 PHE A 109 19.657 5.183 3.882 1.00 1.91 H new ATOM 0 HE2 PHE A 109 23.438 7.015 2.945 1.00 3.08 H new ATOM 0 HZ PHE A 109 21.892 5.999 4.608 1.00 2.26 H new ATOM 1644 N ALA A 110 19.453 9.862 -1.859 1.00 0.76 N ATOM 1645 CA ALA A 110 20.004 11.081 -2.433 1.00 0.97 C ATOM 1646 C ALA A 110 19.643 12.274 -1.552 1.00 0.87 C ATOM 1647 O ALA A 110 20.506 13.078 -1.213 1.00 1.05 O ATOM 1648 CB ALA A 110 19.474 11.267 -3.858 1.00 1.32 C ATOM 0 H ALA A 110 18.544 9.606 -2.243 1.00 0.76 H new ATOM 0 HA ALA A 110 21.090 11.007 -2.480 1.00 0.97 H new ATOM 0 HB1 ALA A 110 19.889 12.181 -4.284 1.00 1.32 H new ATOM 0 HB2 ALA A 110 19.769 10.415 -4.470 1.00 1.32 H new ATOM 0 HB3 ALA A 110 18.387 11.338 -3.835 1.00 1.32 H new ATOM 1654 N LEU A 111 18.354 12.389 -1.213 1.00 0.83 N ATOM 1655 CA LEU A 111 17.823 13.462 -0.374 1.00 1.02 C ATOM 1656 C LEU A 111 17.282 12.917 0.953 1.00 0.78 C ATOM 1657 O LEU A 111 16.708 13.683 1.720 1.00 0.89 O ATOM 1658 CB LEU A 111 16.755 14.308 -1.109 1.00 1.50 C ATOM 1659 CG LEU A 111 16.366 13.883 -2.536 1.00 1.37 C ATOM 1660 CD1 LEU A 111 15.014 14.509 -2.900 1.00 1.82 C ATOM 1661 CD2 LEU A 111 17.404 14.358 -3.561 1.00 1.13 C ATOM 0 H LEU A 111 17.641 11.727 -1.520 1.00 0.83 H new ATOM 0 HA LEU A 111 18.656 14.128 -0.149 1.00 1.02 H new ATOM 0 HB2 LEU A 111 15.851 14.309 -0.501 1.00 1.50 H new ATOM 0 HB3 LEU A 111 17.112 15.337 -1.151 1.00 1.50 H new ATOM 0 HG LEU A 111 16.314 12.795 -2.560 1.00 1.37 H new ATOM 0 HD11 LEU A 111 14.735 14.210 -3.910 1.00 1.82 H new ATOM 0 HD12 LEU A 111 14.254 14.167 -2.198 1.00 1.82 H new ATOM 0 HD13 LEU A 111 15.091 15.595 -2.851 1.00 1.82 H new ATOM 0 HD21 LEU A 111 17.101 14.042 -4.559 1.00 1.13 H new ATOM 0 HD22 LEU A 111 17.475 15.445 -3.530 1.00 1.13 H new ATOM 0 HD23 LEU A 111 18.375 13.924 -3.323 1.00 1.13 H new ATOM 1673 N GLU A 112 17.444 11.615 1.226 1.00 0.67 N ATOM 1674 CA GLU A 112 17.019 11.001 2.478 1.00 0.68 C ATOM 1675 C GLU A 112 15.500 11.157 2.661 1.00 0.56 C ATOM 1676 O GLU A 112 15.002 11.489 3.737 1.00 0.72 O ATOM 1677 CB GLU A 112 17.885 11.543 3.628 1.00 0.91 C ATOM 1678 CG GLU A 112 19.355 11.122 3.425 1.00 1.09 C ATOM 1679 CD GLU A 112 20.326 11.823 4.369 1.00 1.74 C ATOM 1680 OE1 GLU A 112 19.853 12.422 5.357 1.00 2.75 O ATOM 1681 OE2 GLU A 112 21.540 11.733 4.085 1.00 2.39 O ATOM 0 H GLU A 112 17.877 10.959 0.576 1.00 0.67 H new ATOM 0 HA GLU A 112 17.183 9.923 2.468 1.00 0.68 H new ATOM 0 HB2 GLU A 112 17.812 12.630 3.668 1.00 0.91 H new ATOM 0 HB3 GLU A 112 17.518 11.163 4.581 1.00 0.91 H new ATOM 0 HG2 GLU A 112 19.438 10.044 3.566 1.00 1.09 H new ATOM 0 HG3 GLU A 112 19.646 11.333 2.396 1.00 1.09 H new ATOM 1688 N THR A 113 14.764 10.883 1.577 1.00 0.41 N ATOM 1689 CA THR A 113 13.314 10.978 1.497 1.00 0.36 C ATOM 1690 C THR A 113 12.701 9.593 1.309 1.00 0.36 C ATOM 1691 O THR A 113 13.382 8.663 0.882 1.00 0.45 O ATOM 1692 CB THR A 113 12.919 11.922 0.346 1.00 0.46 C ATOM 1693 OG1 THR A 113 13.597 11.585 -0.850 1.00 0.72 O ATOM 1694 CG2 THR A 113 13.262 13.371 0.690 1.00 0.66 C ATOM 0 H THR A 113 15.186 10.577 0.700 1.00 0.41 H new ATOM 0 HA THR A 113 12.927 11.389 2.429 1.00 0.36 H new ATOM 0 HB THR A 113 11.844 11.813 0.203 1.00 0.46 H new ATOM 0 HG1 THR A 113 13.326 12.199 -1.564 1.00 0.72 H new ATOM 0 HG21 THR A 113 12.974 14.019 -0.138 1.00 0.66 H new ATOM 0 HG22 THR A 113 12.723 13.669 1.589 1.00 0.66 H new ATOM 0 HG23 THR A 113 14.334 13.460 0.864 1.00 0.66 H new ATOM 1702 N VAL A 114 11.404 9.465 1.592 1.00 0.35 N ATOM 1703 CA VAL A 114 10.591 8.323 1.208 1.00 0.35 C ATOM 1704 C VAL A 114 9.347 8.850 0.511 1.00 0.34 C ATOM 1705 O VAL A 114 8.671 9.733 1.039 1.00 0.33 O ATOM 1706 CB VAL A 114 10.266 7.420 2.414 1.00 0.36 C ATOM 1707 CG1 VAL A 114 9.609 8.152 3.591 1.00 0.37 C ATOM 1708 CG2 VAL A 114 9.378 6.236 2.006 1.00 0.38 C ATOM 0 H VAL A 114 10.882 10.173 2.108 1.00 0.35 H new ATOM 0 HA VAL A 114 11.142 7.683 0.519 1.00 0.35 H new ATOM 0 HB VAL A 114 11.237 7.064 2.757 1.00 0.36 H new ATOM 0 HG11 VAL A 114 9.414 7.444 4.397 1.00 0.37 H new ATOM 0 HG12 VAL A 114 10.276 8.936 3.950 1.00 0.37 H new ATOM 0 HG13 VAL A 114 8.669 8.597 3.264 1.00 0.37 H new ATOM 0 HG21 VAL A 114 9.168 5.620 2.881 1.00 0.38 H new ATOM 0 HG22 VAL A 114 8.441 6.609 1.592 1.00 0.38 H new ATOM 0 HG23 VAL A 114 9.893 5.637 1.255 1.00 0.38 H new ATOM 1718 N THR A 115 9.040 8.314 -0.668 1.00 0.38 N ATOM 1719 CA THR A 115 7.720 8.484 -1.243 1.00 0.40 C ATOM 1720 C THR A 115 6.868 7.378 -0.642 1.00 0.39 C ATOM 1721 O THR A 115 7.238 6.216 -0.766 1.00 0.58 O ATOM 1722 CB THR A 115 7.795 8.371 -2.767 1.00 0.51 C ATOM 1723 OG1 THR A 115 8.746 9.282 -3.278 1.00 0.56 O ATOM 1724 CG2 THR A 115 6.435 8.649 -3.411 1.00 0.59 C ATOM 0 H THR A 115 9.685 7.764 -1.235 1.00 0.38 H new ATOM 0 HA THR A 115 7.295 9.464 -1.025 1.00 0.40 H new ATOM 0 HB THR A 115 8.095 7.351 -3.009 1.00 0.51 H new ATOM 0 HG1 THR A 115 8.787 9.200 -4.254 1.00 0.56 H new ATOM 0 HG21 THR A 115 6.521 8.561 -4.494 1.00 0.59 H new ATOM 0 HG22 THR A 115 5.705 7.927 -3.045 1.00 0.59 H new ATOM 0 HG23 THR A 115 6.110 9.657 -3.153 1.00 0.59 H new ATOM 1732 N VAL A 116 5.762 7.719 0.018 1.00 0.40 N ATOM 1733 CA VAL A 116 4.806 6.745 0.524 1.00 0.38 C ATOM 1734 C VAL A 116 3.587 6.810 -0.398 1.00 0.40 C ATOM 1735 O VAL A 116 2.947 7.855 -0.520 1.00 0.43 O ATOM 1736 CB VAL A 116 4.537 6.975 2.024 1.00 0.43 C ATOM 1737 CG1 VAL A 116 3.895 8.327 2.340 1.00 0.56 C ATOM 1738 CG2 VAL A 116 3.695 5.842 2.618 1.00 0.57 C ATOM 0 H VAL A 116 5.506 8.686 0.216 1.00 0.40 H new ATOM 0 HA VAL A 116 5.180 5.722 0.497 1.00 0.38 H new ATOM 0 HB VAL A 116 5.521 6.981 2.493 1.00 0.43 H new ATOM 0 HG11 VAL A 116 3.738 8.413 3.415 1.00 0.56 H new ATOM 0 HG12 VAL A 116 4.552 9.129 2.004 1.00 0.56 H new ATOM 0 HG13 VAL A 116 2.937 8.404 1.826 1.00 0.56 H new ATOM 0 HG21 VAL A 116 3.523 6.034 3.677 1.00 0.57 H new ATOM 0 HG22 VAL A 116 2.738 5.789 2.098 1.00 0.57 H new ATOM 0 HG23 VAL A 116 4.224 4.896 2.502 1.00 0.57 H new ATOM 1748 N GLU A 117 3.335 5.715 -1.116 1.00 0.46 N ATOM 1749 CA GLU A 117 2.299 5.602 -2.126 1.00 0.56 C ATOM 1750 C GLU A 117 1.159 4.829 -1.472 1.00 0.56 C ATOM 1751 O GLU A 117 1.203 3.597 -1.426 1.00 0.56 O ATOM 1752 CB GLU A 117 2.903 4.905 -3.359 1.00 0.72 C ATOM 1753 CG GLU A 117 2.226 5.285 -4.679 1.00 0.75 C ATOM 1754 CD GLU A 117 0.806 4.762 -4.784 1.00 1.98 C ATOM 1755 OE1 GLU A 117 -0.078 5.428 -4.208 1.00 3.53 O ATOM 1756 OE2 GLU A 117 0.646 3.703 -5.427 1.00 2.45 O ATOM 0 H GLU A 117 3.870 4.854 -1.001 1.00 0.46 H new ATOM 0 HA GLU A 117 1.910 6.558 -2.477 1.00 0.56 H new ATOM 0 HB2 GLU A 117 3.963 5.152 -3.421 1.00 0.72 H new ATOM 0 HB3 GLU A 117 2.834 3.826 -3.224 1.00 0.72 H new ATOM 0 HG2 GLU A 117 2.217 6.370 -4.778 1.00 0.75 H new ATOM 0 HG3 GLU A 117 2.814 4.894 -5.509 1.00 0.75 H new ATOM 1763 N TYR A 118 0.212 5.543 -0.853 1.00 0.60 N ATOM 1764 CA TYR A 118 -0.766 4.929 0.038 1.00 0.61 C ATOM 1765 C TYR A 118 -2.124 5.610 -0.032 1.00 0.65 C ATOM 1766 O TYR A 118 -2.285 6.642 -0.683 1.00 0.74 O ATOM 1767 CB TYR A 118 -0.256 4.931 1.486 1.00 0.57 C ATOM 1768 CG TYR A 118 -0.502 6.208 2.267 1.00 0.53 C ATOM 1769 CD1 TYR A 118 0.251 7.363 1.998 1.00 1.80 C ATOM 1770 CD2 TYR A 118 -1.529 6.254 3.229 1.00 1.60 C ATOM 1771 CE1 TYR A 118 0.020 8.542 2.729 1.00 1.77 C ATOM 1772 CE2 TYR A 118 -1.795 7.447 3.918 1.00 1.63 C ATOM 1773 CZ TYR A 118 -1.019 8.591 3.671 1.00 0.55 C ATOM 1774 OH TYR A 118 -1.323 9.766 4.291 1.00 0.70 O ATOM 0 H TYR A 118 0.106 6.552 -0.957 1.00 0.60 H new ATOM 0 HA TYR A 118 -0.896 3.901 -0.300 1.00 0.61 H new ATOM 0 HB2 TYR A 118 -0.726 4.104 2.019 1.00 0.57 H new ATOM 0 HB3 TYR A 118 0.816 4.734 1.475 1.00 0.57 H new ATOM 0 HD1 TYR A 118 1.009 7.346 1.228 1.00 1.80 H new ATOM 0 HD2 TYR A 118 -2.113 5.370 3.437 1.00 1.60 H new ATOM 0 HE1 TYR A 118 0.642 9.410 2.565 1.00 1.77 H new ATOM 0 HE2 TYR A 118 -2.598 7.485 4.639 1.00 1.63 H new ATOM 0 HH TYR A 118 -2.287 9.929 4.228 1.00 0.70 H new ATOM 1784 N ASN A 119 -3.097 4.999 0.646 1.00 0.59 N ATOM 1785 CA ASN A 119 -4.493 5.390 0.612 1.00 0.58 C ATOM 1786 C ASN A 119 -4.856 6.285 1.809 1.00 0.56 C ATOM 1787 O ASN A 119 -4.980 5.781 2.929 1.00 0.60 O ATOM 1788 CB ASN A 119 -5.342 4.117 0.580 1.00 0.66 C ATOM 1789 CG ASN A 119 -6.695 4.449 -0.017 1.00 0.96 C ATOM 1790 OD1 ASN A 119 -7.460 5.205 0.573 1.00 1.39 O ATOM 1791 ND2 ASN A 119 -6.970 3.910 -1.203 1.00 2.10 N ATOM 0 H ASN A 119 -2.922 4.195 1.250 1.00 0.59 H new ATOM 0 HA ASN A 119 -4.690 5.984 -0.281 1.00 0.58 H new ATOM 0 HB2 ASN A 119 -4.847 3.347 -0.012 1.00 0.66 H new ATOM 0 HB3 ASN A 119 -5.461 3.717 1.587 1.00 0.66 H new ATOM 0 HD21 ASN A 119 -7.854 4.120 -1.666 1.00 2.10 H new ATOM 0 HD22 ASN A 119 -6.296 3.287 -1.649 1.00 2.10 H new ATOM 1798 N PRO A 120 -5.050 7.603 1.613 1.00 0.57 N ATOM 1799 CA PRO A 120 -5.216 8.558 2.704 1.00 0.60 C ATOM 1800 C PRO A 120 -6.613 8.525 3.343 1.00 0.63 C ATOM 1801 O PRO A 120 -6.906 9.348 4.206 1.00 0.60 O ATOM 1802 CB PRO A 120 -4.911 9.922 2.078 1.00 0.62 C ATOM 1803 CG PRO A 120 -5.413 9.752 0.647 1.00 0.62 C ATOM 1804 CD PRO A 120 -5.047 8.301 0.336 1.00 0.58 C ATOM 0 HA PRO A 120 -4.549 8.318 3.532 1.00 0.60 H new ATOM 0 HB2 PRO A 120 -5.428 10.730 2.595 1.00 0.62 H new ATOM 0 HB3 PRO A 120 -3.846 10.153 2.109 1.00 0.62 H new ATOM 0 HG2 PRO A 120 -6.487 9.925 0.571 1.00 0.62 H new ATOM 0 HG3 PRO A 120 -4.929 10.448 -0.038 1.00 0.62 H new ATOM 0 HD2 PRO A 120 -5.765 7.857 -0.353 1.00 0.58 H new ATOM 0 HD3 PRO A 120 -4.068 8.239 -0.140 1.00 0.58 H new ATOM 1812 N LYS A 121 -7.484 7.600 2.926 1.00 0.78 N ATOM 1813 CA LYS A 121 -8.774 7.362 3.563 1.00 0.84 C ATOM 1814 C LYS A 121 -8.608 6.244 4.590 1.00 0.83 C ATOM 1815 O LYS A 121 -9.149 6.321 5.690 1.00 0.92 O ATOM 1816 CB LYS A 121 -9.853 7.166 2.488 1.00 0.98 C ATOM 1817 CG LYS A 121 -10.194 5.722 2.137 1.00 1.90 C ATOM 1818 CD LYS A 121 -11.197 5.119 3.125 1.00 3.65 C ATOM 1819 CE LYS A 121 -11.560 3.717 2.601 1.00 5.59 C ATOM 1820 NZ LYS A 121 -12.286 2.862 3.556 1.00 7.38 N ATOM 0 H LYS A 121 -7.307 6.991 2.127 1.00 0.78 H new ATOM 0 HA LYS A 121 -9.132 8.219 4.134 1.00 0.84 H new ATOM 0 HB2 LYS A 121 -10.764 7.663 2.822 1.00 0.98 H new ATOM 0 HB3 LYS A 121 -9.528 7.673 1.579 1.00 0.98 H new ATOM 0 HG2 LYS A 121 -10.607 5.681 1.129 1.00 1.90 H new ATOM 0 HG3 LYS A 121 -9.283 5.124 2.133 1.00 1.90 H new ATOM 0 HD2 LYS A 121 -10.765 5.057 4.124 1.00 3.65 H new ATOM 0 HD3 LYS A 121 -12.087 5.744 3.201 1.00 3.65 H new ATOM 0 HE2 LYS A 121 -12.167 3.828 1.702 1.00 5.59 H new ATOM 0 HE3 LYS A 121 -10.643 3.208 2.306 1.00 5.59 H new ATOM 0 HZ1 LYS A 121 -12.619 2.005 3.071 1.00 7.38 H new ATOM 0 HZ2 LYS A 121 -11.651 2.594 4.335 1.00 7.38 H new ATOM 0 HZ3 LYS A 121 -13.101 3.383 3.938 1.00 7.38 H new ATOM 1834 N GLU A 122 -7.871 5.196 4.212 1.00 0.81 N ATOM 1835 CA GLU A 122 -7.654 4.029 5.050 1.00 0.81 C ATOM 1836 C GLU A 122 -6.657 4.361 6.171 1.00 0.75 C ATOM 1837 O GLU A 122 -6.894 3.999 7.321 1.00 0.78 O ATOM 1838 CB GLU A 122 -7.223 2.843 4.163 1.00 0.89 C ATOM 1839 CG GLU A 122 -7.926 1.521 4.514 1.00 0.62 C ATOM 1840 CD GLU A 122 -9.391 1.518 4.095 1.00 1.63 C ATOM 1841 OE1 GLU A 122 -10.247 1.978 4.884 1.00 2.64 O ATOM 1842 OE2 GLU A 122 -9.667 1.110 2.946 1.00 2.59 O ATOM 0 H GLU A 122 -7.407 5.140 3.306 1.00 0.81 H new ATOM 0 HA GLU A 122 -8.576 3.733 5.550 1.00 0.81 H new ATOM 0 HB2 GLU A 122 -7.427 3.087 3.121 1.00 0.89 H new ATOM 0 HB3 GLU A 122 -6.145 2.706 4.253 1.00 0.89 H new ATOM 0 HG2 GLU A 122 -7.409 0.696 4.025 1.00 0.62 H new ATOM 0 HG3 GLU A 122 -7.857 1.349 5.588 1.00 0.62 H new ATOM 1849 N ALA A 123 -5.562 5.069 5.855 1.00 0.70 N ATOM 1850 CA ALA A 123 -4.557 5.483 6.838 1.00 0.65 C ATOM 1851 C ALA A 123 -4.300 6.986 6.711 1.00 0.59 C ATOM 1852 O ALA A 123 -4.909 7.646 5.871 1.00 0.62 O ATOM 1853 CB ALA A 123 -3.277 4.665 6.633 1.00 0.66 C ATOM 0 H ALA A 123 -5.350 5.371 4.904 1.00 0.70 H new ATOM 0 HA ALA A 123 -4.918 5.294 7.849 1.00 0.65 H new ATOM 0 HB1 ALA A 123 -2.528 4.972 7.363 1.00 0.66 H new ATOM 0 HB2 ALA A 123 -3.498 3.605 6.763 1.00 0.66 H new ATOM 0 HB3 ALA A 123 -2.894 4.835 5.627 1.00 0.66 H new ATOM 1859 N SER A 124 -3.405 7.556 7.526 1.00 0.55 N ATOM 1860 CA SER A 124 -3.053 8.974 7.475 1.00 0.52 C ATOM 1861 C SER A 124 -1.696 9.192 8.140 1.00 0.49 C ATOM 1862 O SER A 124 -1.263 8.361 8.929 1.00 0.64 O ATOM 1863 CB SER A 124 -4.127 9.814 8.179 1.00 0.63 C ATOM 1864 OG SER A 124 -5.297 9.919 7.393 1.00 2.38 O ATOM 0 H SER A 124 -2.901 7.038 8.246 1.00 0.55 H new ATOM 0 HA SER A 124 -2.995 9.288 6.433 1.00 0.52 H new ATOM 0 HB2 SER A 124 -4.372 9.362 9.140 1.00 0.63 H new ATOM 0 HB3 SER A 124 -3.735 10.810 8.385 1.00 0.63 H new ATOM 0 HG SER A 124 -5.282 9.235 6.691 1.00 2.38 H new ATOM 1870 N VAL A 125 -1.043 10.320 7.844 1.00 0.42 N ATOM 1871 CA VAL A 125 0.248 10.731 8.384 1.00 0.42 C ATOM 1872 C VAL A 125 0.484 10.334 9.845 1.00 0.42 C ATOM 1873 O VAL A 125 1.568 9.872 10.188 1.00 0.43 O ATOM 1874 CB VAL A 125 0.429 12.250 8.214 1.00 0.50 C ATOM 1875 CG1 VAL A 125 1.888 12.588 8.525 1.00 1.41 C ATOM 1876 CG2 VAL A 125 0.035 12.723 6.806 1.00 1.32 C ATOM 0 H VAL A 125 -1.423 11.002 7.188 1.00 0.42 H new ATOM 0 HA VAL A 125 0.996 10.187 7.807 1.00 0.42 H new ATOM 0 HB VAL A 125 -0.234 12.774 8.903 1.00 0.50 H new ATOM 0 HG11 VAL A 125 2.045 13.661 8.412 1.00 1.41 H new ATOM 0 HG12 VAL A 125 2.120 12.293 9.548 1.00 1.41 H new ATOM 0 HG13 VAL A 125 2.541 12.051 7.836 1.00 1.41 H new ATOM 0 HG21 VAL A 125 0.179 13.801 6.731 1.00 1.32 H new ATOM 0 HG22 VAL A 125 0.659 12.221 6.066 1.00 1.32 H new ATOM 0 HG23 VAL A 125 -1.012 12.483 6.621 1.00 1.32 H new ATOM 1886 N SER A 126 -0.496 10.534 10.725 1.00 0.47 N ATOM 1887 CA SER A 126 -0.368 10.171 12.128 1.00 0.51 C ATOM 1888 C SER A 126 0.056 8.711 12.304 1.00 0.50 C ATOM 1889 O SER A 126 0.942 8.436 13.106 1.00 0.52 O ATOM 1890 CB SER A 126 -1.692 10.464 12.832 1.00 0.60 C ATOM 1891 OG SER A 126 -2.086 11.778 12.475 1.00 0.65 O ATOM 0 H SER A 126 -1.395 10.950 10.483 1.00 0.47 H new ATOM 0 HA SER A 126 0.422 10.769 12.581 1.00 0.51 H new ATOM 0 HB2 SER A 126 -2.452 9.742 12.534 1.00 0.60 H new ATOM 0 HB3 SER A 126 -1.578 10.379 13.913 1.00 0.60 H new ATOM 0 HG SER A 126 -2.936 11.995 12.912 1.00 0.65 H new ATOM 1897 N ASP A 127 -0.528 7.797 11.523 1.00 0.49 N ATOM 1898 CA ASP A 127 -0.164 6.386 11.534 1.00 0.50 C ATOM 1899 C ASP A 127 1.298 6.228 11.122 1.00 0.48 C ATOM 1900 O ASP A 127 2.056 5.502 11.755 1.00 0.50 O ATOM 1901 CB ASP A 127 -1.082 5.594 10.596 1.00 0.53 C ATOM 1902 CG ASP A 127 -0.514 4.208 10.336 1.00 0.82 C ATOM 1903 OD1 ASP A 127 -0.598 3.373 11.260 1.00 1.51 O ATOM 1904 OD2 ASP A 127 0.023 4.034 9.222 1.00 1.92 O ATOM 0 H ASP A 127 -1.272 8.022 10.862 1.00 0.49 H new ATOM 0 HA ASP A 127 -0.287 5.991 12.542 1.00 0.50 H new ATOM 0 HB2 ASP A 127 -2.075 5.509 11.037 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -1.196 6.129 9.653 1.00 0.53 H new ATOM 1909 N LEU A 128 1.710 6.950 10.079 1.00 0.49 N ATOM 1910 CA LEU A 128 3.072 6.896 9.574 1.00 0.49 C ATOM 1911 C LEU A 128 4.045 7.324 10.666 1.00 0.48 C ATOM 1912 O LEU A 128 5.013 6.624 10.962 1.00 0.51 O ATOM 1913 CB LEU A 128 3.229 7.781 8.333 1.00 0.56 C ATOM 1914 CG LEU A 128 2.321 7.382 7.162 1.00 0.75 C ATOM 1915 CD1 LEU A 128 2.685 8.268 5.971 1.00 0.84 C ATOM 1916 CD2 LEU A 128 2.528 5.917 6.765 1.00 0.85 C ATOM 0 H LEU A 128 1.104 7.588 9.564 1.00 0.49 H new ATOM 0 HA LEU A 128 3.297 5.870 9.283 1.00 0.49 H new ATOM 0 HB2 LEU A 128 3.017 8.814 8.607 1.00 0.56 H new ATOM 0 HB3 LEU A 128 4.267 7.745 8.003 1.00 0.56 H new ATOM 0 HG LEU A 128 1.280 7.508 7.459 1.00 0.75 H new ATOM 0 HD11 LEU A 128 2.056 8.009 5.119 1.00 0.84 H new ATOM 0 HD12 LEU A 128 2.527 9.314 6.234 1.00 0.84 H new ATOM 0 HD13 LEU A 128 3.732 8.114 5.709 1.00 0.84 H new ATOM 0 HD21 LEU A 128 1.869 5.669 5.933 1.00 0.85 H new ATOM 0 HD22 LEU A 128 3.565 5.764 6.465 1.00 0.85 H new ATOM 0 HD23 LEU A 128 2.298 5.274 7.614 1.00 0.85 H new ATOM 1928 N LYS A 129 3.770 8.478 11.275 1.00 0.48 N ATOM 1929 CA LYS A 129 4.545 8.977 12.393 1.00 0.49 C ATOM 1930 C LYS A 129 4.584 7.919 13.498 1.00 0.54 C ATOM 1931 O LYS A 129 5.666 7.461 13.847 1.00 0.57 O ATOM 1932 CB LYS A 129 4.016 10.358 12.820 1.00 0.55 C ATOM 1933 CG LYS A 129 4.332 11.369 11.700 1.00 0.55 C ATOM 1934 CD LYS A 129 4.426 12.845 12.116 1.00 0.73 C ATOM 1935 CE LYS A 129 3.097 13.491 12.522 1.00 2.29 C ATOM 1936 NZ LYS A 129 2.662 13.087 13.875 1.00 3.08 N ATOM 0 H LYS A 129 3.000 9.088 11.000 1.00 0.48 H new ATOM 0 HA LYS A 129 5.585 9.146 12.115 1.00 0.49 H new ATOM 0 HB2 LYS A 129 2.942 10.314 12.999 1.00 0.55 H new ATOM 0 HB3 LYS A 129 4.482 10.670 13.755 1.00 0.55 H new ATOM 0 HG2 LYS A 129 5.278 11.083 11.239 1.00 0.55 H new ATOM 0 HG3 LYS A 129 3.563 11.279 10.932 1.00 0.55 H new ATOM 0 HD2 LYS A 129 5.122 12.928 12.950 1.00 0.73 H new ATOM 0 HD3 LYS A 129 4.851 13.413 11.289 1.00 0.73 H new ATOM 0 HE2 LYS A 129 3.198 14.576 12.485 1.00 2.29 H new ATOM 0 HE3 LYS A 129 2.328 13.217 11.800 1.00 2.29 H new ATOM 0 HZ1 LYS A 129 2.000 13.794 14.252 1.00 3.08 H new ATOM 0 HZ2 LYS A 129 2.190 12.162 13.826 1.00 3.08 H new ATOM 0 HZ3 LYS A 129 3.490 13.020 14.500 1.00 3.08 H new ATOM 1950 N GLU A 130 3.428 7.447 13.969 1.00 0.59 N ATOM 1951 CA GLU A 130 3.367 6.442 15.026 1.00 0.67 C ATOM 1952 C GLU A 130 4.141 5.163 14.674 1.00 0.71 C ATOM 1953 O GLU A 130 4.789 4.572 15.543 1.00 0.88 O ATOM 1954 CB GLU A 130 1.905 6.149 15.389 1.00 0.81 C ATOM 1955 CG GLU A 130 1.375 7.228 16.344 1.00 1.83 C ATOM 1956 CD GLU A 130 -0.015 6.888 16.858 1.00 3.30 C ATOM 1957 OE1 GLU A 130 -0.110 5.860 17.563 1.00 3.48 O ATOM 1958 OE2 GLU A 130 -0.943 7.667 16.550 1.00 4.83 O ATOM 0 H GLU A 130 2.515 7.750 13.630 1.00 0.59 H new ATOM 0 HA GLU A 130 3.866 6.853 15.904 1.00 0.67 H new ATOM 0 HB2 GLU A 130 1.296 6.120 14.485 1.00 0.81 H new ATOM 0 HB3 GLU A 130 1.827 5.168 15.857 1.00 0.81 H new ATOM 0 HG2 GLU A 130 2.058 7.336 17.186 1.00 1.83 H new ATOM 0 HG3 GLU A 130 1.348 8.189 15.829 1.00 1.83 H new ATOM 1965 N ALA A 131 4.087 4.721 13.419 1.00 0.64 N ATOM 1966 CA ALA A 131 4.809 3.551 12.951 1.00 0.68 C ATOM 1967 C ALA A 131 6.315 3.803 13.025 1.00 0.65 C ATOM 1968 O ALA A 131 7.056 3.037 13.643 1.00 0.75 O ATOM 1969 CB ALA A 131 4.366 3.203 11.527 1.00 0.67 C ATOM 0 H ALA A 131 3.532 5.175 12.693 1.00 0.64 H new ATOM 0 HA ALA A 131 4.581 2.699 13.592 1.00 0.68 H new ATOM 0 HB1 ALA A 131 4.911 2.325 11.181 1.00 0.67 H new ATOM 0 HB2 ALA A 131 3.296 2.993 11.520 1.00 0.67 H new ATOM 0 HB3 ALA A 131 4.575 4.044 10.865 1.00 0.67 H new ATOM 1975 N VAL A 132 6.788 4.887 12.413 1.00 0.57 N ATOM 1976 CA VAL A 132 8.205 5.184 12.359 1.00 0.56 C ATOM 1977 C VAL A 132 8.756 5.482 13.756 1.00 0.58 C ATOM 1978 O VAL A 132 9.883 5.098 14.078 1.00 0.64 O ATOM 1979 CB VAL A 132 8.461 6.288 11.328 1.00 0.53 C ATOM 1980 CG1 VAL A 132 9.934 6.684 11.395 1.00 1.34 C ATOM 1981 CG2 VAL A 132 8.125 5.741 9.931 1.00 1.55 C ATOM 0 H VAL A 132 6.198 5.576 11.946 1.00 0.57 H new ATOM 0 HA VAL A 132 8.760 4.310 12.018 1.00 0.56 H new ATOM 0 HB VAL A 132 7.842 7.161 11.533 1.00 0.53 H new ATOM 0 HG11 VAL A 132 10.133 7.470 10.666 1.00 1.34 H new ATOM 0 HG12 VAL A 132 10.168 7.049 12.395 1.00 1.34 H new ATOM 0 HG13 VAL A 132 10.555 5.816 11.171 1.00 1.34 H new ATOM 0 HG21 VAL A 132 8.302 6.515 9.185 1.00 1.55 H new ATOM 0 HG22 VAL A 132 8.757 4.879 9.716 1.00 1.55 H new ATOM 0 HG23 VAL A 132 7.078 5.440 9.900 1.00 1.55 H new ATOM 1991 N ASP A 133 7.937 6.088 14.616 1.00 0.59 N ATOM 1992 CA ASP A 133 8.247 6.253 16.014 1.00 0.68 C ATOM 1993 C ASP A 133 8.524 4.886 16.642 1.00 0.76 C ATOM 1994 O ASP A 133 9.398 4.747 17.490 1.00 1.02 O ATOM 1995 CB ASP A 133 7.076 6.942 16.732 1.00 0.75 C ATOM 1996 CG ASP A 133 7.030 8.460 16.565 1.00 1.65 C ATOM 1997 OD1 ASP A 133 8.106 9.084 16.672 1.00 1.70 O ATOM 1998 OD2 ASP A 133 5.905 8.979 16.391 1.00 3.14 O ATOM 0 H ASP A 133 7.034 6.478 14.347 1.00 0.59 H new ATOM 0 HA ASP A 133 9.135 6.877 16.117 1.00 0.68 H new ATOM 0 HB2 ASP A 133 6.142 6.521 16.361 1.00 0.75 H new ATOM 0 HB3 ASP A 133 7.131 6.708 17.795 1.00 0.75 H new ATOM 2003 N LYS A 134 7.758 3.863 16.244 1.00 0.69 N ATOM 2004 CA LYS A 134 7.938 2.497 16.722 1.00 0.81 C ATOM 2005 C LYS A 134 9.240 1.905 16.167 1.00 0.80 C ATOM 2006 O LYS A 134 9.971 1.243 16.898 1.00 0.91 O ATOM 2007 CB LYS A 134 6.712 1.636 16.355 1.00 0.87 C ATOM 2008 CG LYS A 134 6.048 0.943 17.557 1.00 1.01 C ATOM 2009 CD LYS A 134 4.722 1.586 18.006 1.00 1.51 C ATOM 2010 CE LYS A 134 4.837 2.877 18.834 1.00 2.77 C ATOM 2011 NZ LYS A 134 5.371 4.020 18.070 1.00 4.05 N ATOM 0 H LYS A 134 6.993 3.966 15.577 1.00 0.69 H new ATOM 0 HA LYS A 134 8.020 2.506 17.809 1.00 0.81 H new ATOM 0 HB2 LYS A 134 5.974 2.267 15.860 1.00 0.87 H new ATOM 0 HB3 LYS A 134 7.017 0.877 15.635 1.00 0.87 H new ATOM 0 HG2 LYS A 134 5.865 -0.101 17.304 1.00 1.01 H new ATOM 0 HG3 LYS A 134 6.744 0.950 18.396 1.00 1.01 H new ATOM 0 HD2 LYS A 134 4.128 1.801 17.118 1.00 1.51 H new ATOM 0 HD3 LYS A 134 4.167 0.853 18.591 1.00 1.51 H new ATOM 0 HE2 LYS A 134 3.853 3.138 19.223 1.00 2.77 H new ATOM 0 HE3 LYS A 134 5.481 2.692 19.694 1.00 2.77 H new ATOM 0 HZ1 LYS A 134 4.832 4.878 18.306 1.00 4.05 H new ATOM 0 HZ2 LYS A 134 6.372 4.163 18.313 1.00 4.05 H new ATOM 0 HZ3 LYS A 134 5.286 3.827 17.052 1.00 4.05 H new ATOM 2025 N LEU A 135 9.539 2.145 14.885 1.00 0.77 N ATOM 2026 CA LEU A 135 10.843 1.790 14.317 1.00 0.76 C ATOM 2027 C LEU A 135 11.982 2.518 15.041 1.00 0.80 C ATOM 2028 O LEU A 135 13.106 2.020 15.066 1.00 0.90 O ATOM 2029 CB LEU A 135 10.894 2.076 12.807 1.00 0.72 C ATOM 2030 CG LEU A 135 10.416 0.925 11.909 1.00 0.68 C ATOM 2031 CD1 LEU A 135 11.475 -0.186 11.840 1.00 0.55 C ATOM 2032 CD2 LEU A 135 9.057 0.377 12.353 1.00 0.88 C ATOM 0 H LEU A 135 8.897 2.582 14.224 1.00 0.77 H new ATOM 0 HA LEU A 135 10.978 0.718 14.462 1.00 0.76 H new ATOM 0 HB2 LEU A 135 10.285 2.956 12.599 1.00 0.72 H new ATOM 0 HB3 LEU A 135 11.919 2.327 12.535 1.00 0.72 H new ATOM 0 HG LEU A 135 10.279 1.326 10.905 1.00 0.68 H new ATOM 0 HD11 LEU A 135 11.116 -0.991 11.199 1.00 0.55 H new ATOM 0 HD12 LEU A 135 12.401 0.219 11.431 1.00 0.55 H new ATOM 0 HD13 LEU A 135 11.660 -0.575 12.841 1.00 0.55 H new ATOM 0 HD21 LEU A 135 8.758 -0.435 11.690 1.00 0.88 H new ATOM 0 HD22 LEU A 135 9.131 0.003 13.374 1.00 0.88 H new ATOM 0 HD23 LEU A 135 8.313 1.172 12.311 1.00 0.88 H new ATOM 2044 N GLY A 136 11.694 3.685 15.619 1.00 0.79 N ATOM 2045 CA GLY A 136 12.623 4.442 16.440 1.00 0.86 C ATOM 2046 C GLY A 136 13.379 5.459 15.596 1.00 0.82 C ATOM 2047 O GLY A 136 14.561 5.699 15.829 1.00 0.90 O ATOM 0 H GLY A 136 10.784 4.136 15.523 1.00 0.79 H new ATOM 0 HA2 GLY A 136 12.081 4.953 17.235 1.00 0.86 H new ATOM 0 HA3 GLY A 136 13.328 3.764 16.920 1.00 0.86 H new ATOM 2051 N TYR A 137 12.689 6.066 14.627 1.00 0.77 N ATOM 2052 CA TYR A 137 13.204 7.168 13.827 1.00 0.75 C ATOM 2053 C TYR A 137 12.173 8.290 13.868 1.00 0.70 C ATOM 2054 O TYR A 137 11.121 8.126 14.480 1.00 0.77 O ATOM 2055 CB TYR A 137 13.465 6.684 12.396 1.00 0.78 C ATOM 2056 CG TYR A 137 14.343 5.450 12.313 1.00 0.76 C ATOM 2057 CD1 TYR A 137 15.598 5.439 12.951 1.00 1.76 C ATOM 2058 CD2 TYR A 137 13.824 4.255 11.779 1.00 2.16 C ATOM 2059 CE1 TYR A 137 16.272 4.225 13.153 1.00 1.83 C ATOM 2060 CE2 TYR A 137 14.520 3.046 11.950 1.00 2.17 C ATOM 2061 CZ TYR A 137 15.717 3.026 12.683 1.00 0.93 C ATOM 2062 OH TYR A 137 16.421 1.864 12.801 1.00 1.01 O ATOM 0 H TYR A 137 11.738 5.796 14.376 1.00 0.77 H new ATOM 0 HA TYR A 137 14.151 7.539 14.220 1.00 0.75 H new ATOM 0 HB2 TYR A 137 12.510 6.471 11.916 1.00 0.78 H new ATOM 0 HB3 TYR A 137 13.934 7.490 11.831 1.00 0.78 H new ATOM 0 HD1 TYR A 137 16.042 6.365 13.285 1.00 1.76 H new ATOM 0 HD2 TYR A 137 12.890 4.267 11.237 1.00 2.16 H new ATOM 0 HE1 TYR A 137 17.220 4.214 13.671 1.00 1.83 H new ATOM 0 HE2 TYR A 137 14.135 2.134 11.518 1.00 2.17 H new ATOM 0 HH TYR A 137 17.241 1.923 12.268 1.00 1.01 H new ATOM 2072 N LYS A 138 12.456 9.417 13.212 1.00 0.72 N ATOM 2073 CA LYS A 138 11.529 10.523 13.095 1.00 0.74 C ATOM 2074 C LYS A 138 11.343 10.771 11.605 1.00 0.68 C ATOM 2075 O LYS A 138 12.296 10.640 10.826 1.00 0.74 O ATOM 2076 CB LYS A 138 12.076 11.743 13.838 1.00 0.88 C ATOM 2077 CG LYS A 138 13.563 11.933 13.553 1.00 1.28 C ATOM 2078 CD LYS A 138 14.024 13.279 14.123 1.00 1.57 C ATOM 2079 CE LYS A 138 15.518 13.332 14.488 1.00 2.62 C ATOM 2080 NZ LYS A 138 15.964 14.705 14.790 1.00 3.03 N ATOM 0 H LYS A 138 13.348 9.580 12.745 1.00 0.72 H new ATOM 0 HA LYS A 138 10.563 10.306 13.550 1.00 0.74 H new ATOM 0 HB2 LYS A 138 11.527 12.635 13.535 1.00 0.88 H new ATOM 0 HB3 LYS A 138 11.920 11.621 14.910 1.00 0.88 H new ATOM 0 HG2 LYS A 138 14.137 11.121 14.000 1.00 1.28 H new ATOM 0 HG3 LYS A 138 13.746 11.899 12.479 1.00 1.28 H new ATOM 0 HD2 LYS A 138 13.812 14.061 13.394 1.00 1.57 H new ATOM 0 HD3 LYS A 138 13.436 13.504 15.013 1.00 1.57 H new ATOM 0 HE2 LYS A 138 15.703 12.692 15.351 1.00 2.62 H new ATOM 0 HE3 LYS A 138 16.107 12.933 13.663 1.00 2.62 H new ATOM 0 HZ1 LYS A 138 16.976 14.696 15.031 1.00 3.03 H new ATOM 0 HZ2 LYS A 138 15.811 15.310 13.958 1.00 3.03 H new ATOM 0 HZ3 LYS A 138 15.420 15.078 15.594 1.00 3.03 H new ATOM 2094 N LEU A 139 10.102 11.071 11.228 1.00 0.71 N ATOM 2095 CA LEU A 139 9.649 11.111 9.855 1.00 0.68 C ATOM 2096 C LEU A 139 9.034 12.495 9.638 1.00 0.61 C ATOM 2097 O LEU A 139 8.285 12.971 10.492 1.00 0.72 O ATOM 2098 CB LEU A 139 8.629 9.965 9.679 1.00 1.09 C ATOM 2099 CG LEU A 139 8.590 9.228 8.332 1.00 0.41 C ATOM 2100 CD1 LEU A 139 7.917 10.038 7.238 1.00 1.80 C ATOM 2101 CD2 LEU A 139 9.955 8.747 7.834 1.00 1.29 C ATOM 0 H LEU A 139 9.367 11.299 11.897 1.00 0.71 H new ATOM 0 HA LEU A 139 10.442 10.968 9.121 1.00 0.68 H new ATOM 0 HB2 LEU A 139 8.821 9.226 10.457 1.00 1.09 H new ATOM 0 HB3 LEU A 139 7.635 10.373 9.864 1.00 1.09 H new ATOM 0 HG LEU A 139 7.990 8.343 8.546 1.00 0.41 H new ATOM 0 HD11 LEU A 139 7.919 9.467 6.309 1.00 1.80 H new ATOM 0 HD12 LEU A 139 6.889 10.257 7.527 1.00 1.80 H new ATOM 0 HD13 LEU A 139 8.459 10.972 7.091 1.00 1.80 H new ATOM 0 HD21 LEU A 139 9.835 8.238 6.878 1.00 1.29 H new ATOM 0 HD22 LEU A 139 10.619 9.603 7.709 1.00 1.29 H new ATOM 0 HD23 LEU A 139 10.385 8.058 8.561 1.00 1.29 H new ATOM 2113 N LYS A 140 9.388 13.158 8.539 1.00 0.58 N ATOM 2114 CA LYS A 140 9.047 14.541 8.232 1.00 0.58 C ATOM 2115 C LYS A 140 8.261 14.544 6.926 1.00 0.53 C ATOM 2116 O LYS A 140 8.399 13.627 6.126 1.00 0.52 O ATOM 2117 CB LYS A 140 10.347 15.331 8.034 1.00 0.68 C ATOM 2118 CG LYS A 140 11.046 15.767 9.327 1.00 0.85 C ATOM 2119 CD LYS A 140 10.696 17.222 9.670 1.00 1.17 C ATOM 2120 CE LYS A 140 11.628 17.720 10.780 1.00 1.74 C ATOM 2121 NZ LYS A 140 11.392 19.131 11.138 1.00 2.11 N ATOM 0 H LYS A 140 9.947 12.723 7.805 1.00 0.58 H new ATOM 0 HA LYS A 140 8.461 14.989 9.035 1.00 0.58 H new ATOM 0 HB2 LYS A 140 11.039 14.722 7.453 1.00 0.68 H new ATOM 0 HB3 LYS A 140 10.128 16.219 7.441 1.00 0.68 H new ATOM 0 HG2 LYS A 140 10.747 15.113 10.146 1.00 0.85 H new ATOM 0 HG3 LYS A 140 12.125 15.664 9.215 1.00 0.85 H new ATOM 0 HD2 LYS A 140 10.797 17.851 8.785 1.00 1.17 H new ATOM 0 HD3 LYS A 140 9.657 17.292 9.993 1.00 1.17 H new ATOM 0 HE2 LYS A 140 11.494 17.099 11.666 1.00 1.74 H new ATOM 0 HE3 LYS A 140 12.663 17.600 10.460 1.00 1.74 H new ATOM 0 HZ1 LYS A 140 12.050 19.412 11.893 1.00 2.11 H new ATOM 0 HZ2 LYS A 140 11.546 19.731 10.303 1.00 2.11 H new ATOM 0 HZ3 LYS A 140 10.414 19.246 11.471 1.00 2.11 H new ATOM 2135 N LEU A 141 7.445 15.567 6.686 1.00 0.59 N ATOM 2136 CA LEU A 141 6.735 15.728 5.429 1.00 0.55 C ATOM 2137 C LEU A 141 7.600 16.556 4.476 1.00 0.65 C ATOM 2138 O LEU A 141 8.244 17.508 4.922 1.00 0.84 O ATOM 2139 CB LEU A 141 5.400 16.432 5.687 1.00 0.59 C ATOM 2140 CG LEU A 141 4.599 15.821 6.854 1.00 0.83 C ATOM 2141 CD1 LEU A 141 4.819 16.556 8.186 1.00 1.25 C ATOM 2142 CD2 LEU A 141 3.113 15.898 6.513 1.00 1.59 C ATOM 0 H LEU A 141 7.260 16.308 7.362 1.00 0.59 H new ATOM 0 HA LEU A 141 6.536 14.755 4.980 1.00 0.55 H new ATOM 0 HB2 LEU A 141 5.588 17.485 5.898 1.00 0.59 H new ATOM 0 HB3 LEU A 141 4.795 16.391 4.781 1.00 0.59 H new ATOM 0 HG LEU A 141 4.944 14.795 6.980 1.00 0.83 H new ATOM 0 HD11 LEU A 141 4.228 16.078 8.967 1.00 1.25 H new ATOM 0 HD12 LEU A 141 5.875 16.516 8.454 1.00 1.25 H new ATOM 0 HD13 LEU A 141 4.510 17.596 8.083 1.00 1.25 H new ATOM 0 HD21 LEU A 141 2.530 15.470 7.328 1.00 1.59 H new ATOM 0 HD22 LEU A 141 2.826 16.940 6.370 1.00 1.59 H new ATOM 0 HD23 LEU A 141 2.920 15.340 5.597 1.00 1.59 H new ATOM 2154 N LYS A 142 7.581 16.271 3.168 1.00 0.61 N ATOM 2155 CA LYS A 142 8.288 17.131 2.220 1.00 0.76 C ATOM 2156 C LYS A 142 7.408 18.358 1.966 1.00 0.97 C ATOM 2157 O LYS A 142 6.655 18.428 0.995 1.00 1.09 O ATOM 2158 CB LYS A 142 8.633 16.397 0.907 1.00 0.74 C ATOM 2159 CG LYS A 142 10.108 15.967 0.778 1.00 0.89 C ATOM 2160 CD LYS A 142 10.649 16.327 -0.619 1.00 1.37 C ATOM 2161 CE LYS A 142 10.015 15.454 -1.701 1.00 2.91 C ATOM 2162 NZ LYS A 142 10.308 15.872 -3.087 1.00 3.68 N ATOM 0 H LYS A 142 7.098 15.474 2.753 1.00 0.61 H new ATOM 0 HA LYS A 142 9.246 17.432 2.643 1.00 0.76 H new ATOM 0 HB2 LYS A 142 8.002 15.512 0.825 1.00 0.74 H new ATOM 0 HB3 LYS A 142 8.383 17.046 0.067 1.00 0.74 H new ATOM 0 HG2 LYS A 142 10.706 16.459 1.545 1.00 0.89 H new ATOM 0 HG3 LYS A 142 10.197 14.893 0.945 1.00 0.89 H new ATOM 0 HD2 LYS A 142 10.446 17.377 -0.831 1.00 1.37 H new ATOM 0 HD3 LYS A 142 11.732 16.202 -0.636 1.00 1.37 H new ATOM 0 HE2 LYS A 142 10.357 14.428 -1.566 1.00 2.91 H new ATOM 0 HE3 LYS A 142 8.934 15.451 -1.558 1.00 2.91 H new ATOM 0 HZ1 LYS A 142 10.242 15.049 -3.719 1.00 3.68 H new ATOM 0 HZ2 LYS A 142 9.621 16.593 -3.385 1.00 3.68 H new ATOM 0 HZ3 LYS A 142 11.268 16.268 -3.134 1.00 3.68 H new