USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 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 104 SER OG : rot 173:sc= 1.22 USER MOD Set 1.2: A 111 GLN : amide:sc= 1.57 K(o=4,f=-0.52!) USER MOD Set 1.3: A 113 TYR OH : rot -3:sc= 1.21 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.517 K(o=-0.0092,f=-9.4!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -1.03 K(o=-0.0092,f=-5.8!) USER MOD Set 2.3: A 145 SER OG : rot 118:sc= 1.54 USER MOD Set 3.1: A 61 THR OG1 : rot 148:sc= 1.21 USER MOD Set 3.2: A 64 GLN : amide:sc= 0.812 K(o=2,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 1.71 (180deg=1.57) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -91:sc= 1.21 USER MOD Single : A 44 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.33 (180deg=1.31) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0.916 (180deg=0.906) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.482 K(o=0.48,f=-16!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -115:sc= 0.513 USER MOD Single : A 71 ASN : amide:sc= 0.202 K(o=0.2,f=-3.9!) USER MOD Single : A 75 GLN : amide:sc= -0.0181 K(o=-0.018,f=-4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -131:sc= 1.15 USER MOD Single : A 89 ASN : amide:sc= -0.0578 K(o=-0.058,f=-8.5!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 108 THR OG1 : rot 33:sc= 1.23 USER MOD Single : A 115 ASN : amide:sc= 0.00813 K(o=0.0081,f=-0.77) USER MOD Single : A 122 CYS SG : rot -148:sc= 0.0658 USER MOD Single : A 127 GLN : amide:sc= 0.666 K(o=0.67,f=-0.046) USER MOD Single : A 128 MET CE :methyl -114:sc= -0.511 (180deg=-0.991) USER MOD Single : A 130 GLN : amide:sc= 0.0515 X(o=0.051,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.742 K(o=0.74,f=-5.9!) USER MOD Single : A 139 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.17) USER MOD Single : A 140 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.01) USER MOD Single : A 144 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.600 10.028 -4.422 1.00 19.59 N ATOM 2 CA GLY A 1 -8.032 11.147 -5.270 1.00 19.80 C ATOM 3 C GLY A 1 -9.478 10.948 -5.654 1.00 18.74 C ATOM 4 O GLY A 1 -10.280 10.526 -4.818 1.00 18.52 O ATOM 0 H1 GLY A 1 -6.569 10.068 -4.294 1.00 19.59 H new ATOM 0 H2 GLY A 1 -8.067 10.094 -3.495 1.00 19.59 H new ATOM 0 H3 GLY A 1 -7.858 9.129 -4.876 1.00 19.59 H new ATOM 0 HA2 GLY A 1 -7.911 12.090 -4.738 1.00 19.80 H new ATOM 0 HA3 GLY A 1 -7.410 11.203 -6.164 1.00 19.80 H new ATOM 10 N SER A 2 -9.827 11.236 -6.907 1.00 18.35 N ATOM 11 CA SER A 2 -11.117 10.871 -7.499 1.00 17.46 C ATOM 12 C SER A 2 -11.027 9.429 -8.003 1.00 16.22 C ATOM 13 O SER A 2 -10.589 9.174 -9.130 1.00 15.93 O ATOM 14 CB SER A 2 -11.488 11.865 -8.604 1.00 18.21 C ATOM 15 OG SER A 2 -11.750 13.130 -8.021 1.00 18.98 O ATOM 0 H SER A 2 -9.214 11.737 -7.550 1.00 18.35 H new ATOM 0 HA SER A 2 -11.915 10.922 -6.758 1.00 17.46 H new ATOM 0 HB2 SER A 2 -10.676 11.945 -9.326 1.00 18.21 H new ATOM 0 HB3 SER A 2 -12.365 11.513 -9.148 1.00 18.21 H new ATOM 0 HG SER A 2 -11.986 13.771 -8.723 1.00 18.98 H new ATOM 21 N PHE A 3 -11.379 8.485 -7.126 1.00 15.74 N ATOM 22 CA PHE A 3 -11.003 7.069 -7.225 1.00 14.84 C ATOM 23 C PHE A 3 -11.428 6.402 -8.547 1.00 14.11 C ATOM 24 O PHE A 3 -12.503 6.682 -9.092 1.00 14.30 O ATOM 25 CB PHE A 3 -11.533 6.322 -5.994 1.00 14.79 C ATOM 26 CG PHE A 3 -11.101 6.923 -4.663 1.00 15.73 C ATOM 27 CD1 PHE A 3 -9.752 6.861 -4.267 1.00 16.12 C ATOM 28 CD2 PHE A 3 -12.038 7.547 -3.819 1.00 16.50 C ATOM 29 CE1 PHE A 3 -9.335 7.423 -3.048 1.00 17.20 C ATOM 30 CE2 PHE A 3 -11.621 8.124 -2.605 1.00 17.57 C ATOM 31 CZ PHE A 3 -10.269 8.068 -2.220 1.00 17.90 C ATOM 0 H PHE A 3 -11.949 8.688 -6.305 1.00 15.74 H new ATOM 0 HA PHE A 3 -9.914 7.014 -7.239 1.00 14.84 H new ATOM 0 HB2 PHE A 3 -12.622 6.304 -6.035 1.00 14.79 H new ATOM 0 HB3 PHE A 3 -11.196 5.287 -6.039 1.00 14.79 H new ATOM 0 HD1 PHE A 3 -9.029 6.376 -4.907 1.00 16.12 H new ATOM 0 HD2 PHE A 3 -13.079 7.583 -4.103 1.00 16.50 H new ATOM 0 HE1 PHE A 3 -8.299 7.359 -2.749 1.00 17.20 H new ATOM 0 HE2 PHE A 3 -12.342 8.612 -1.966 1.00 17.57 H new ATOM 0 HZ PHE A 3 -9.950 8.519 -1.292 1.00 17.90 H new ATOM 41 N THR A 4 -10.553 5.545 -9.084 1.00 13.62 N ATOM 42 CA THR A 4 -10.507 5.209 -10.517 1.00 13.43 C ATOM 43 C THR A 4 -11.623 4.292 -11.019 1.00 12.41 C ATOM 44 O THR A 4 -12.180 3.467 -10.284 1.00 11.97 O ATOM 45 CB THR A 4 -9.137 4.635 -10.927 1.00 13.78 C ATOM 46 OG1 THR A 4 -8.737 3.606 -10.051 1.00 13.36 O ATOM 47 CG2 THR A 4 -8.049 5.707 -10.897 1.00 15.30 C ATOM 0 H THR A 4 -9.847 5.058 -8.532 1.00 13.62 H new ATOM 0 HA THR A 4 -10.672 6.169 -11.006 1.00 13.43 H new ATOM 0 HB THR A 4 -9.256 4.251 -11.940 1.00 13.78 H new ATOM 0 HG1 THR A 4 -7.866 3.257 -10.333 1.00 13.36 H new ATOM 0 HG21 THR A 4 -7.096 5.267 -11.192 1.00 15.30 H new ATOM 0 HG22 THR A 4 -8.308 6.508 -11.589 1.00 15.30 H new ATOM 0 HG23 THR A 4 -7.965 6.112 -9.889 1.00 15.30 H new ATOM 55 N MET A 5 -11.928 4.452 -12.309 1.00 12.39 N ATOM 56 CA MET A 5 -12.908 3.687 -13.092 1.00 11.77 C ATOM 57 C MET A 5 -12.584 2.185 -13.197 1.00 10.51 C ATOM 58 O MET A 5 -11.483 1.745 -12.852 1.00 10.26 O ATOM 59 CB MET A 5 -13.045 4.354 -14.476 1.00 12.64 C ATOM 60 CG MET A 5 -11.767 4.424 -15.314 1.00 13.22 C ATOM 61 SD MET A 5 -11.167 2.863 -16.013 1.00 12.35 S ATOM 62 CE MET A 5 -9.597 3.458 -16.697 1.00 14.07 C ATOM 0 H MET A 5 -11.468 5.166 -12.874 1.00 12.39 H new ATOM 0 HA MET A 5 -13.863 3.714 -12.568 1.00 11.77 H new ATOM 0 HB2 MET A 5 -13.800 3.813 -15.045 1.00 12.64 H new ATOM 0 HB3 MET A 5 -13.419 5.368 -14.334 1.00 12.64 H new ATOM 0 HG2 MET A 5 -11.935 5.122 -16.134 1.00 13.22 H new ATOM 0 HG3 MET A 5 -10.976 4.846 -14.694 1.00 13.22 H new ATOM 0 HE1 MET A 5 -9.072 2.631 -17.176 1.00 14.07 H new ATOM 0 HE2 MET A 5 -9.793 4.239 -17.432 1.00 14.07 H new ATOM 0 HE3 MET A 5 -8.980 3.862 -15.894 1.00 14.07 H new ATOM 72 N GLY A 35 -13.544 1.386 -13.663 1.00 10.06 N ATOM 73 CA GLY A 35 -13.417 -0.063 -13.837 1.00 9.15 C ATOM 74 C GLY A 35 -12.629 -0.469 -15.086 1.00 8.56 C ATOM 75 O GLY A 35 -12.963 -0.068 -16.208 1.00 8.89 O ATOM 0 H GLY A 35 -14.460 1.739 -13.939 1.00 10.06 H new ATOM 0 HA2 GLY A 35 -12.929 -0.484 -12.958 1.00 9.15 H new ATOM 0 HA3 GLY A 35 -14.413 -0.502 -13.889 1.00 9.15 H new ATOM 79 N ALA A 36 -11.620 -1.317 -14.890 1.00 8.01 N ATOM 80 CA ALA A 36 -10.809 -1.943 -15.934 1.00 7.55 C ATOM 81 C ALA A 36 -10.450 -3.399 -15.569 1.00 6.66 C ATOM 82 O ALA A 36 -10.404 -3.762 -14.388 1.00 7.10 O ATOM 83 CB ALA A 36 -9.551 -1.089 -16.153 1.00 8.53 C ATOM 0 H ALA A 36 -11.332 -1.600 -13.953 1.00 8.01 H new ATOM 0 HA ALA A 36 -11.380 -1.990 -16.861 1.00 7.55 H new ATOM 0 HB1 ALA A 36 -8.934 -1.542 -16.929 1.00 8.53 H new ATOM 0 HB2 ALA A 36 -9.842 -0.085 -16.461 1.00 8.53 H new ATOM 0 HB3 ALA A 36 -8.983 -1.033 -15.224 1.00 8.53 H new ATOM 89 N GLY A 37 -10.178 -4.222 -16.579 1.00 5.91 N ATOM 90 CA GLY A 37 -9.829 -5.638 -16.442 1.00 5.29 C ATOM 91 C GLY A 37 -9.116 -6.188 -17.681 1.00 4.95 C ATOM 92 O GLY A 37 -9.184 -5.600 -18.762 1.00 5.67 O ATOM 0 H GLY A 37 -10.195 -3.912 -17.551 1.00 5.91 H new ATOM 0 HA2 GLY A 37 -9.188 -5.768 -15.570 1.00 5.29 H new ATOM 0 HA3 GLY A 37 -10.735 -6.216 -16.261 1.00 5.29 H new ATOM 96 N GLY A 38 -8.398 -7.299 -17.510 1.00 4.48 N ATOM 97 CA GLY A 38 -7.584 -7.943 -18.544 1.00 4.43 C ATOM 98 C GLY A 38 -6.587 -8.943 -17.945 1.00 3.75 C ATOM 99 O GLY A 38 -6.705 -9.300 -16.771 1.00 3.74 O ATOM 0 H GLY A 38 -8.366 -7.793 -16.618 1.00 4.48 H new ATOM 0 HA2 GLY A 38 -8.235 -8.458 -19.250 1.00 4.43 H new ATOM 0 HA3 GLY A 38 -7.042 -7.182 -19.106 1.00 4.43 H new ATOM 103 N GLY A 39 -5.592 -9.374 -18.724 1.00 3.96 N ATOM 104 CA GLY A 39 -4.504 -10.273 -18.305 1.00 3.59 C ATOM 105 C GLY A 39 -3.113 -9.710 -18.626 1.00 3.24 C ATOM 106 O GLY A 39 -2.903 -9.165 -19.709 1.00 4.26 O ATOM 0 H GLY A 39 -5.515 -9.098 -19.703 1.00 3.96 H new ATOM 0 HA2 GLY A 39 -4.580 -10.453 -17.233 1.00 3.59 H new ATOM 0 HA3 GLY A 39 -4.624 -11.237 -18.799 1.00 3.59 H new ATOM 110 N GLY A 40 -2.180 -9.793 -17.666 1.00 2.21 N ATOM 111 CA GLY A 40 -0.754 -9.413 -17.766 1.00 2.09 C ATOM 112 C GLY A 40 -0.402 -8.001 -18.261 1.00 1.96 C ATOM 113 O GLY A 40 0.764 -7.715 -18.536 1.00 3.44 O ATOM 0 H GLY A 40 -2.411 -10.149 -16.739 1.00 2.21 H new ATOM 0 HA2 GLY A 40 -0.308 -9.539 -16.779 1.00 2.09 H new ATOM 0 HA3 GLY A 40 -0.267 -10.127 -18.430 1.00 2.09 H new ATOM 117 N SER A 41 -1.388 -7.116 -18.372 1.00 1.48 N ATOM 118 CA SER A 41 -1.269 -5.716 -18.799 1.00 1.23 C ATOM 119 C SER A 41 -1.655 -4.774 -17.654 1.00 0.90 C ATOM 120 O SER A 41 -2.124 -5.221 -16.607 1.00 0.78 O ATOM 121 CB SER A 41 -2.155 -5.505 -20.030 1.00 1.63 C ATOM 122 OG SER A 41 -1.929 -4.250 -20.637 1.00 2.59 O ATOM 0 H SER A 41 -2.352 -7.367 -18.154 1.00 1.48 H new ATOM 0 HA SER A 41 -0.237 -5.489 -19.064 1.00 1.23 H new ATOM 0 HB2 SER A 41 -1.964 -6.297 -20.754 1.00 1.63 H new ATOM 0 HB3 SER A 41 -3.203 -5.584 -19.740 1.00 1.63 H new ATOM 0 HG SER A 41 -2.540 -3.586 -20.254 1.00 2.59 H new ATOM 128 N ALA A 42 -1.517 -3.465 -17.840 1.00 0.85 N ATOM 129 CA ALA A 42 -1.881 -2.475 -16.826 1.00 0.73 C ATOM 130 C ALA A 42 -3.331 -2.622 -16.305 1.00 0.69 C ATOM 131 O ALA A 42 -3.578 -2.489 -15.111 1.00 0.67 O ATOM 132 CB ALA A 42 -1.649 -1.101 -17.441 1.00 0.85 C ATOM 0 H ALA A 42 -1.149 -3.058 -18.700 1.00 0.85 H new ATOM 0 HA ALA A 42 -1.259 -2.626 -15.944 1.00 0.73 H new ATOM 0 HB1 ALA A 42 -1.909 -0.329 -16.716 1.00 0.85 H new ATOM 0 HB2 ALA A 42 -0.600 -0.999 -17.719 1.00 0.85 H new ATOM 0 HB3 ALA A 42 -2.272 -0.990 -18.328 1.00 0.85 H new ATOM 138 N GLU A 43 -4.278 -2.998 -17.167 1.00 0.80 N ATOM 139 CA GLU A 43 -5.672 -3.274 -16.790 1.00 0.88 C ATOM 140 C GLU A 43 -5.867 -4.544 -15.927 1.00 0.71 C ATOM 141 O GLU A 43 -6.828 -4.618 -15.166 1.00 0.74 O ATOM 142 CB GLU A 43 -6.566 -3.288 -18.044 1.00 1.21 C ATOM 143 CG GLU A 43 -6.093 -4.201 -19.190 1.00 1.44 C ATOM 144 CD GLU A 43 -5.294 -3.438 -20.255 1.00 2.26 C ATOM 145 OE1 GLU A 43 -4.125 -3.062 -20.000 1.00 3.53 O ATOM 146 OE2 GLU A 43 -5.815 -3.217 -21.377 1.00 2.75 O ATOM 0 H GLU A 43 -4.098 -3.122 -18.163 1.00 0.80 H new ATOM 0 HA GLU A 43 -5.980 -2.457 -16.137 1.00 0.88 H new ATOM 0 HB2 GLU A 43 -7.569 -3.596 -17.749 1.00 1.21 H new ATOM 0 HB3 GLU A 43 -6.644 -2.269 -18.424 1.00 1.21 H new ATOM 0 HG2 GLU A 43 -5.476 -5.002 -18.782 1.00 1.44 H new ATOM 0 HG3 GLU A 43 -6.958 -4.671 -19.657 1.00 1.44 H new ATOM 153 N GLN A 44 -4.943 -5.516 -15.963 1.00 0.64 N ATOM 154 CA GLN A 44 -4.902 -6.618 -14.986 1.00 0.60 C ATOM 155 C GLN A 44 -4.433 -6.103 -13.628 1.00 0.48 C ATOM 156 O GLN A 44 -5.047 -6.399 -12.607 1.00 0.45 O ATOM 157 CB GLN A 44 -3.955 -7.723 -15.475 1.00 0.72 C ATOM 158 CG GLN A 44 -3.536 -8.786 -14.441 1.00 0.78 C ATOM 159 CD GLN A 44 -4.653 -9.682 -13.908 1.00 0.85 C ATOM 160 OE1 GLN A 44 -4.831 -10.818 -14.326 1.00 1.19 O ATOM 161 NE2 GLN A 44 -5.403 -9.228 -12.932 1.00 0.79 N ATOM 0 H GLN A 44 -4.206 -5.562 -16.666 1.00 0.64 H new ATOM 0 HA GLN A 44 -5.907 -7.028 -14.883 1.00 0.60 H new ATOM 0 HB2 GLN A 44 -4.431 -8.233 -16.312 1.00 0.72 H new ATOM 0 HB3 GLN A 44 -3.052 -7.250 -15.861 1.00 0.72 H new ATOM 0 HG2 GLN A 44 -2.773 -9.420 -14.891 1.00 0.78 H new ATOM 0 HG3 GLN A 44 -3.071 -8.278 -13.596 1.00 0.78 H new ATOM 0 HE21 GLN A 44 -5.261 -8.282 -12.578 1.00 0.79 H new ATOM 0 HE22 GLN A 44 -6.128 -9.821 -12.528 1.00 0.79 H new ATOM 170 N LEU A 45 -3.335 -5.348 -13.599 1.00 0.46 N ATOM 171 CA LEU A 45 -2.814 -4.718 -12.388 1.00 0.39 C ATOM 172 C LEU A 45 -3.843 -3.774 -11.730 1.00 0.33 C ATOM 173 O LEU A 45 -3.957 -3.739 -10.503 1.00 0.32 O ATOM 174 CB LEU A 45 -1.509 -4.019 -12.776 1.00 0.41 C ATOM 175 CG LEU A 45 -0.273 -4.940 -12.844 1.00 0.45 C ATOM 176 CD1 LEU A 45 0.254 -5.202 -11.428 1.00 0.46 C ATOM 177 CD2 LEU A 45 -0.442 -6.289 -13.562 1.00 0.62 C ATOM 0 H LEU A 45 -2.775 -5.155 -14.429 1.00 0.46 H new ATOM 0 HA LEU A 45 -2.614 -5.464 -11.619 1.00 0.39 H new ATOM 0 HB2 LEU A 45 -1.644 -3.544 -13.748 1.00 0.41 H new ATOM 0 HB3 LEU A 45 -1.312 -3.224 -12.057 1.00 0.41 H new ATOM 0 HG LEU A 45 0.429 -4.382 -13.463 1.00 0.45 H new ATOM 0 HD11 LEU A 45 1.127 -5.853 -11.479 1.00 0.46 H new ATOM 0 HD12 LEU A 45 0.533 -4.257 -10.963 1.00 0.46 H new ATOM 0 HD13 LEU A 45 -0.523 -5.683 -10.834 1.00 0.46 H new ATOM 0 HD21 LEU A 45 0.501 -6.835 -13.537 1.00 0.62 H new ATOM 0 HD22 LEU A 45 -1.214 -6.874 -13.061 1.00 0.62 H new ATOM 0 HD23 LEU A 45 -0.733 -6.116 -14.598 1.00 0.62 H new ATOM 189 N ASP A 46 -4.684 -3.115 -12.531 1.00 0.35 N ATOM 190 CA ASP A 46 -5.804 -2.316 -12.014 1.00 0.38 C ATOM 191 C ASP A 46 -6.893 -3.194 -11.364 1.00 0.34 C ATOM 192 O ASP A 46 -7.427 -2.866 -10.305 1.00 0.33 O ATOM 193 CB ASP A 46 -6.394 -1.424 -13.110 1.00 0.69 C ATOM 194 CG ASP A 46 -7.102 -0.223 -12.477 1.00 1.32 C ATOM 195 OD1 ASP A 46 -6.403 0.781 -12.201 1.00 2.57 O ATOM 196 OD2 ASP A 46 -8.346 -0.259 -12.292 1.00 1.70 O ATOM 0 H ASP A 46 -4.611 -3.118 -13.548 1.00 0.35 H new ATOM 0 HA ASP A 46 -5.405 -1.673 -11.230 1.00 0.38 H new ATOM 0 HB2 ASP A 46 -5.603 -1.081 -13.777 1.00 0.69 H new ATOM 0 HB3 ASP A 46 -7.098 -1.994 -13.716 1.00 0.69 H new ATOM 201 N ALA A 47 -7.164 -4.371 -11.933 1.00 0.38 N ATOM 202 CA ALA A 47 -8.053 -5.365 -11.328 1.00 0.43 C ATOM 203 C ALA A 47 -7.438 -5.977 -10.056 1.00 0.48 C ATOM 204 O ALA A 47 -8.160 -6.410 -9.157 1.00 0.62 O ATOM 205 CB ALA A 47 -8.354 -6.449 -12.366 1.00 0.51 C ATOM 0 H ALA A 47 -6.772 -4.662 -12.829 1.00 0.38 H new ATOM 0 HA ALA A 47 -8.979 -4.877 -11.025 1.00 0.43 H new ATOM 0 HB1 ALA A 47 -9.016 -7.197 -11.929 1.00 0.51 H new ATOM 0 HB2 ALA A 47 -8.838 -5.998 -13.233 1.00 0.51 H new ATOM 0 HB3 ALA A 47 -7.423 -6.924 -12.676 1.00 0.51 H new ATOM 211 N LEU A 48 -6.104 -5.990 -9.979 1.00 0.45 N ATOM 212 CA LEU A 48 -5.302 -6.457 -8.850 1.00 0.49 C ATOM 213 C LEU A 48 -5.389 -5.501 -7.653 1.00 0.46 C ATOM 214 O LEU A 48 -5.567 -5.951 -6.519 1.00 0.62 O ATOM 215 CB LEU A 48 -3.857 -6.647 -9.349 1.00 0.51 C ATOM 216 CG LEU A 48 -3.274 -8.041 -9.073 1.00 0.61 C ATOM 217 CD1 LEU A 48 -2.238 -8.447 -10.120 1.00 0.65 C ATOM 218 CD2 LEU A 48 -2.611 -8.024 -7.713 1.00 1.24 C ATOM 0 H LEU A 48 -5.524 -5.655 -10.748 1.00 0.45 H new ATOM 0 HA LEU A 48 -5.688 -7.408 -8.483 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -3.827 -6.459 -10.422 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -3.220 -5.899 -8.877 1.00 0.51 H new ATOM 0 HG LEU A 48 -4.089 -8.764 -9.110 1.00 0.61 H new ATOM 0 HD11 LEU A 48 -1.853 -9.439 -9.885 1.00 0.65 H new ATOM 0 HD12 LEU A 48 -2.703 -8.463 -11.105 1.00 0.65 H new ATOM 0 HD13 LEU A 48 -1.418 -7.729 -10.118 1.00 0.65 H new ATOM 0 HD21 LEU A 48 -2.191 -9.007 -7.501 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -1.814 -7.280 -7.706 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -3.349 -7.773 -6.951 1.00 1.24 H new ATOM 230 N VAL A 49 -5.360 -4.183 -7.883 1.00 0.33 N ATOM 231 CA VAL A 49 -5.724 -3.221 -6.822 1.00 0.38 C ATOM 232 C VAL A 49 -7.217 -3.238 -6.490 1.00 0.53 C ATOM 233 O VAL A 49 -7.579 -3.083 -5.327 1.00 0.89 O ATOM 234 CB VAL A 49 -5.238 -1.789 -7.112 1.00 0.39 C ATOM 235 CG1 VAL A 49 -3.724 -1.693 -7.182 1.00 0.38 C ATOM 236 CG2 VAL A 49 -5.740 -1.232 -8.435 1.00 0.36 C ATOM 0 H VAL A 49 -5.095 -3.759 -8.772 1.00 0.33 H new ATOM 0 HA VAL A 49 -5.191 -3.566 -5.936 1.00 0.38 H new ATOM 0 HB VAL A 49 -5.641 -1.215 -6.277 1.00 0.39 H new ATOM 0 HG11 VAL A 49 -3.434 -0.663 -7.389 1.00 0.38 H new ATOM 0 HG12 VAL A 49 -3.295 -2.007 -6.230 1.00 0.38 H new ATOM 0 HG13 VAL A 49 -3.355 -2.340 -7.977 1.00 0.38 H new ATOM 0 HG21 VAL A 49 -5.358 -0.220 -8.572 1.00 0.36 H new ATOM 0 HG22 VAL A 49 -5.393 -1.865 -9.252 1.00 0.36 H new ATOM 0 HG23 VAL A 49 -6.830 -1.211 -8.431 1.00 0.36 H new ATOM 246 N LYS A 50 -8.103 -3.518 -7.455 1.00 0.39 N ATOM 247 CA LYS A 50 -9.565 -3.532 -7.234 1.00 0.42 C ATOM 248 C LYS A 50 -10.155 -4.700 -6.427 1.00 0.40 C ATOM 249 O LYS A 50 -11.374 -4.824 -6.275 1.00 0.54 O ATOM 250 CB LYS A 50 -10.284 -3.351 -8.574 1.00 0.52 C ATOM 251 CG LYS A 50 -11.026 -2.025 -8.543 1.00 1.06 C ATOM 252 CD LYS A 50 -10.093 -0.800 -8.458 1.00 1.00 C ATOM 253 CE LYS A 50 -10.648 0.453 -9.147 1.00 2.29 C ATOM 254 NZ LYS A 50 -10.648 0.299 -10.619 1.00 3.82 N ATOM 0 H LYS A 50 -7.832 -3.742 -8.412 1.00 0.39 H new ATOM 0 HA LYS A 50 -9.746 -2.689 -6.568 1.00 0.42 H new ATOM 0 HB2 LYS A 50 -9.567 -3.365 -9.395 1.00 0.52 H new ATOM 0 HB3 LYS A 50 -10.981 -4.172 -8.745 1.00 0.52 H new ATOM 0 HG2 LYS A 50 -11.642 -1.941 -9.438 1.00 1.06 H new ATOM 0 HG3 LYS A 50 -11.703 -2.016 -7.689 1.00 1.06 H new ATOM 0 HD2 LYS A 50 -9.903 -0.572 -7.409 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -9.133 -1.055 -8.907 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.663 0.643 -8.799 1.00 2.29 H new ATOM 0 HE3 LYS A 50 -10.048 1.320 -8.869 1.00 2.29 H new ATOM 0 HZ1 LYS A 50 -10.981 1.180 -11.060 1.00 3.82 H new ATOM 0 HZ2 LYS A 50 -9.683 0.091 -10.946 1.00 3.82 H new ATOM 0 HZ3 LYS A 50 -11.280 -0.482 -10.886 1.00 3.82 H new ATOM 268 N LYS A 51 -9.280 -5.533 -5.880 1.00 0.32 N ATOM 269 CA LYS A 51 -9.558 -6.537 -4.836 1.00 0.38 C ATOM 270 C LYS A 51 -10.162 -5.916 -3.576 1.00 0.55 C ATOM 271 O LYS A 51 -11.066 -6.500 -2.980 1.00 0.78 O ATOM 272 CB LYS A 51 -8.252 -7.247 -4.451 1.00 0.72 C ATOM 273 CG LYS A 51 -8.040 -8.602 -5.131 1.00 1.04 C ATOM 274 CD LYS A 51 -7.940 -8.533 -6.659 1.00 1.03 C ATOM 275 CE LYS A 51 -7.034 -9.630 -7.231 1.00 1.43 C ATOM 276 NZ LYS A 51 -7.557 -10.993 -6.991 1.00 1.83 N ATOM 0 H LYS A 51 -8.300 -5.534 -6.162 1.00 0.32 H new ATOM 0 HA LYS A 51 -10.282 -7.239 -5.249 1.00 0.38 H new ATOM 0 HB2 LYS A 51 -7.413 -6.596 -4.698 1.00 0.72 H new ATOM 0 HB3 LYS A 51 -8.237 -7.391 -3.371 1.00 0.72 H new ATOM 0 HG2 LYS A 51 -7.128 -9.053 -4.739 1.00 1.04 H new ATOM 0 HG3 LYS A 51 -8.864 -9.263 -4.862 1.00 1.04 H new ATOM 0 HD2 LYS A 51 -8.936 -8.625 -7.091 1.00 1.03 H new ATOM 0 HD3 LYS A 51 -7.555 -7.556 -6.952 1.00 1.03 H new ATOM 0 HE2 LYS A 51 -6.917 -9.475 -8.304 1.00 1.43 H new ATOM 0 HE3 LYS A 51 -6.042 -9.543 -6.787 1.00 1.43 H new ATOM 0 HZ1 LYS A 51 -6.904 -11.692 -7.399 1.00 1.83 H new ATOM 0 HZ2 LYS A 51 -7.644 -11.156 -5.968 1.00 1.83 H new ATOM 0 HZ3 LYS A 51 -8.491 -11.090 -7.437 1.00 1.83 H new ATOM 290 N ASP A 52 -9.640 -4.764 -3.156 1.00 0.56 N ATOM 291 CA ASP A 52 -9.968 -4.164 -1.860 1.00 0.56 C ATOM 292 C ASP A 52 -9.901 -2.637 -1.899 1.00 0.51 C ATOM 293 O ASP A 52 -9.387 -2.030 -2.843 1.00 0.47 O ATOM 294 CB ASP A 52 -8.985 -4.691 -0.800 1.00 0.56 C ATOM 295 CG ASP A 52 -9.595 -4.802 0.588 1.00 0.72 C ATOM 296 OD1 ASP A 52 -9.747 -3.761 1.259 1.00 2.22 O ATOM 297 OD2 ASP A 52 -9.999 -5.926 0.971 1.00 1.38 O ATOM 0 H ASP A 52 -8.976 -4.218 -3.705 1.00 0.56 H new ATOM 0 HA ASP A 52 -10.992 -4.443 -1.610 1.00 0.56 H new ATOM 0 HB2 ASP A 52 -8.621 -5.671 -1.108 1.00 0.56 H new ATOM 0 HB3 ASP A 52 -8.120 -4.029 -0.757 1.00 0.56 H new ATOM 302 N LYS A 53 -10.358 -2.013 -0.817 1.00 0.58 N ATOM 303 CA LYS A 53 -10.153 -0.581 -0.570 1.00 0.51 C ATOM 304 C LYS A 53 -8.754 -0.278 -0.065 1.00 0.35 C ATOM 305 O LYS A 53 -8.324 0.857 -0.216 1.00 0.31 O ATOM 306 CB LYS A 53 -11.203 0.047 0.351 1.00 0.57 C ATOM 307 CG LYS A 53 -12.277 -0.881 0.911 1.00 1.07 C ATOM 308 CD LYS A 53 -11.818 -1.554 2.211 1.00 0.88 C ATOM 309 CE LYS A 53 -12.517 -2.899 2.424 1.00 1.01 C ATOM 310 NZ LYS A 53 -11.689 -3.781 3.275 1.00 1.03 N ATOM 0 H LYS A 53 -10.884 -2.485 -0.081 1.00 0.58 H new ATOM 0 HA LYS A 53 -10.276 -0.114 -1.547 1.00 0.51 H new ATOM 0 HB2 LYS A 53 -10.684 0.510 1.190 1.00 0.57 H new ATOM 0 HB3 LYS A 53 -11.699 0.848 -0.197 1.00 0.57 H new ATOM 0 HG2 LYS A 53 -13.189 -0.313 1.096 1.00 1.07 H new ATOM 0 HG3 LYS A 53 -12.521 -1.644 0.172 1.00 1.07 H new ATOM 0 HD2 LYS A 53 -10.739 -1.704 2.183 1.00 0.88 H new ATOM 0 HD3 LYS A 53 -12.026 -0.897 3.055 1.00 0.88 H new ATOM 0 HE2 LYS A 53 -13.489 -2.741 2.891 1.00 1.01 H new ATOM 0 HE3 LYS A 53 -12.699 -3.378 1.462 1.00 1.01 H new ATOM 0 HZ1 LYS A 53 -12.205 -4.663 3.467 1.00 1.03 H new ATOM 0 HZ2 LYS A 53 -10.799 -4.001 2.784 1.00 1.03 H new ATOM 0 HZ3 LYS A 53 -11.480 -3.300 4.173 1.00 1.03 H new ATOM 324 N VAL A 54 -8.062 -1.263 0.509 1.00 0.38 N ATOM 325 CA VAL A 54 -6.658 -1.170 0.921 1.00 0.36 C ATOM 326 C VAL A 54 -5.908 -2.396 0.419 1.00 0.48 C ATOM 327 O VAL A 54 -6.131 -3.527 0.835 1.00 0.80 O ATOM 328 CB VAL A 54 -6.471 -1.022 2.446 1.00 0.30 C ATOM 329 CG1 VAL A 54 -5.480 0.092 2.772 1.00 0.36 C ATOM 330 CG2 VAL A 54 -7.765 -0.764 3.203 1.00 0.30 C ATOM 0 H VAL A 54 -8.474 -2.175 0.707 1.00 0.38 H new ATOM 0 HA VAL A 54 -6.253 -0.260 0.477 1.00 0.36 H new ATOM 0 HB VAL A 54 -6.084 -1.986 2.778 1.00 0.30 H new ATOM 0 HG11 VAL A 54 -5.368 0.174 3.853 1.00 0.36 H new ATOM 0 HG12 VAL A 54 -4.514 -0.138 2.323 1.00 0.36 H new ATOM 0 HG13 VAL A 54 -5.850 1.036 2.373 1.00 0.36 H new ATOM 0 HG21 VAL A 54 -7.551 -0.672 4.268 1.00 0.30 H new ATOM 0 HG22 VAL A 54 -8.219 0.159 2.843 1.00 0.30 H new ATOM 0 HG23 VAL A 54 -8.453 -1.594 3.042 1.00 0.30 H new ATOM 340 N VAL A 55 -4.987 -2.159 -0.490 1.00 0.32 N ATOM 341 CA VAL A 55 -4.141 -3.182 -1.123 1.00 0.30 C ATOM 342 C VAL A 55 -2.705 -2.697 -1.114 1.00 0.24 C ATOM 343 O VAL A 55 -2.383 -1.621 -1.619 1.00 0.25 O ATOM 344 CB VAL A 55 -4.568 -3.488 -2.563 1.00 0.31 C ATOM 345 CG1 VAL A 55 -5.587 -4.612 -2.693 1.00 1.31 C ATOM 346 CG2 VAL A 55 -5.233 -2.285 -3.188 1.00 1.33 C ATOM 0 H VAL A 55 -4.789 -1.218 -0.830 1.00 0.32 H new ATOM 0 HA VAL A 55 -4.247 -4.105 -0.554 1.00 0.30 H new ATOM 0 HB VAL A 55 -3.639 -3.777 -3.055 1.00 0.31 H new ATOM 0 HG11 VAL A 55 -5.832 -4.761 -3.745 1.00 1.31 H new ATOM 0 HG12 VAL A 55 -5.168 -5.532 -2.284 1.00 1.31 H new ATOM 0 HG13 VAL A 55 -6.491 -4.349 -2.143 1.00 1.31 H new ATOM 0 HG21 VAL A 55 -5.529 -2.523 -4.210 1.00 1.33 H new ATOM 0 HG22 VAL A 55 -6.116 -2.015 -2.608 1.00 1.33 H new ATOM 0 HG23 VAL A 55 -4.535 -1.448 -3.198 1.00 1.33 H new ATOM 356 N VAL A 56 -1.850 -3.484 -0.482 1.00 0.27 N ATOM 357 CA VAL A 56 -0.501 -3.091 -0.084 1.00 0.24 C ATOM 358 C VAL A 56 0.508 -3.995 -0.754 1.00 0.25 C ATOM 359 O VAL A 56 0.218 -5.148 -1.009 1.00 0.32 O ATOM 360 CB VAL A 56 -0.421 -3.127 1.444 1.00 0.26 C ATOM 361 CG1 VAL A 56 0.910 -2.687 1.986 1.00 0.30 C ATOM 362 CG2 VAL A 56 -1.376 -2.079 1.999 1.00 0.36 C ATOM 0 H VAL A 56 -2.079 -4.443 -0.222 1.00 0.27 H new ATOM 0 HA VAL A 56 -0.269 -2.076 -0.406 1.00 0.24 H new ATOM 0 HB VAL A 56 -0.633 -4.159 1.725 1.00 0.26 H new ATOM 0 HG11 VAL A 56 0.894 -2.738 3.075 1.00 0.30 H new ATOM 0 HG12 VAL A 56 1.693 -3.342 1.603 1.00 0.30 H new ATOM 0 HG13 VAL A 56 1.109 -1.662 1.674 1.00 0.30 H new ATOM 0 HG21 VAL A 56 -1.334 -2.089 3.088 1.00 0.36 H new ATOM 0 HG22 VAL A 56 -1.087 -1.094 1.633 1.00 0.36 H new ATOM 0 HG23 VAL A 56 -2.392 -2.303 1.673 1.00 0.36 H new ATOM 372 N PHE A 57 1.672 -3.469 -1.089 1.00 0.26 N ATOM 373 CA PHE A 57 2.539 -4.044 -2.115 1.00 0.27 C ATOM 374 C PHE A 57 3.982 -3.929 -1.664 1.00 0.30 C ATOM 375 O PHE A 57 4.486 -2.813 -1.547 1.00 0.34 O ATOM 376 CB PHE A 57 2.325 -3.192 -3.362 1.00 0.27 C ATOM 377 CG PHE A 57 1.132 -3.583 -4.214 1.00 0.28 C ATOM 378 CD1 PHE A 57 1.255 -4.572 -5.209 1.00 1.82 C ATOM 379 CD2 PHE A 57 -0.102 -2.944 -4.022 1.00 1.58 C ATOM 380 CE1 PHE A 57 0.157 -4.899 -6.029 1.00 1.86 C ATOM 381 CE2 PHE A 57 -1.207 -3.287 -4.829 1.00 1.54 C ATOM 382 CZ PHE A 57 -1.080 -4.248 -5.855 1.00 0.37 C ATOM 0 H PHE A 57 2.050 -2.626 -0.657 1.00 0.26 H new ATOM 0 HA PHE A 57 2.316 -5.095 -2.301 1.00 0.27 H new ATOM 0 HB2 PHE A 57 2.208 -2.152 -3.057 1.00 0.27 H new ATOM 0 HB3 PHE A 57 3.223 -3.244 -3.977 1.00 0.27 H new ATOM 0 HD1 PHE A 57 2.197 -5.083 -5.344 1.00 1.82 H new ATOM 0 HD2 PHE A 57 -0.206 -2.189 -3.256 1.00 1.58 H new ATOM 0 HE1 PHE A 57 0.264 -5.653 -6.795 1.00 1.86 H new ATOM 0 HE2 PHE A 57 -2.161 -2.809 -4.660 1.00 1.54 H new ATOM 0 HZ PHE A 57 -1.917 -4.480 -6.496 1.00 0.37 H new ATOM 392 N LEU A 58 4.626 -5.052 -1.344 1.00 0.33 N ATOM 393 CA LEU A 58 5.936 -5.052 -0.692 1.00 0.35 C ATOM 394 C LEU A 58 6.712 -6.344 -1.070 1.00 0.40 C ATOM 395 O LEU A 58 6.089 -7.365 -1.368 1.00 0.44 O ATOM 396 CB LEU A 58 5.770 -4.813 0.849 1.00 0.27 C ATOM 397 CG LEU A 58 4.330 -4.872 1.464 1.00 0.25 C ATOM 398 CD1 LEU A 58 3.918 -6.280 1.872 1.00 0.27 C ATOM 399 CD2 LEU A 58 4.197 -3.909 2.635 1.00 0.50 C ATOM 0 H LEU A 58 4.256 -5.984 -1.529 1.00 0.33 H new ATOM 0 HA LEU A 58 6.548 -4.224 -1.050 1.00 0.35 H new ATOM 0 HB2 LEU A 58 6.382 -5.551 1.367 1.00 0.27 H new ATOM 0 HB3 LEU A 58 6.189 -3.834 1.080 1.00 0.27 H new ATOM 0 HG LEU A 58 3.644 -4.561 0.676 1.00 0.25 H new ATOM 0 HD11 LEU A 58 2.912 -6.258 2.291 1.00 0.27 H new ATOM 0 HD12 LEU A 58 3.933 -6.931 0.998 1.00 0.27 H new ATOM 0 HD13 LEU A 58 4.614 -6.661 2.620 1.00 0.27 H new ATOM 0 HD21 LEU A 58 3.188 -3.970 3.043 1.00 0.50 H new ATOM 0 HD22 LEU A 58 4.918 -4.174 3.408 1.00 0.50 H new ATOM 0 HD23 LEU A 58 4.389 -2.892 2.293 1.00 0.50 H new ATOM 411 N LYS A 59 8.059 -6.366 -1.075 1.00 0.43 N ATOM 412 CA LYS A 59 8.831 -7.620 -1.325 1.00 0.45 C ATOM 413 C LYS A 59 8.989 -8.403 -0.021 1.00 0.46 C ATOM 414 O LYS A 59 10.097 -8.597 0.463 1.00 0.53 O ATOM 415 CB LYS A 59 10.174 -7.296 -2.015 1.00 0.50 C ATOM 416 CG LYS A 59 10.978 -6.186 -1.319 1.00 0.54 C ATOM 417 CD LYS A 59 12.491 -6.348 -1.421 1.00 0.77 C ATOM 418 CE LYS A 59 12.916 -6.162 -2.874 1.00 1.12 C ATOM 419 NZ LYS A 59 14.361 -5.851 -2.962 1.00 1.54 N ATOM 0 H LYS A 59 8.639 -5.543 -0.911 1.00 0.43 H new ATOM 0 HA LYS A 59 8.284 -8.265 -2.013 1.00 0.45 H new ATOM 0 HB2 LYS A 59 10.780 -8.201 -2.053 1.00 0.50 H new ATOM 0 HB3 LYS A 59 9.980 -6.999 -3.046 1.00 0.50 H new ATOM 0 HG2 LYS A 59 10.697 -5.225 -1.751 1.00 0.54 H new ATOM 0 HG3 LYS A 59 10.698 -6.156 -0.266 1.00 0.54 H new ATOM 0 HD2 LYS A 59 12.991 -5.616 -0.786 1.00 0.77 H new ATOM 0 HD3 LYS A 59 12.788 -7.335 -1.066 1.00 0.77 H new ATOM 0 HE2 LYS A 59 12.699 -7.068 -3.440 1.00 1.12 H new ATOM 0 HE3 LYS A 59 12.338 -5.357 -3.327 1.00 1.12 H new ATOM 0 HZ1 LYS A 59 14.630 -5.728 -3.959 1.00 1.54 H new ATOM 0 HZ2 LYS A 59 14.560 -4.974 -2.439 1.00 1.54 H new ATOM 0 HZ3 LYS A 59 14.910 -6.632 -2.549 1.00 1.54 H new ATOM 433 N GLY A 60 7.868 -8.837 0.548 1.00 0.47 N ATOM 434 CA GLY A 60 7.754 -9.162 1.970 1.00 0.53 C ATOM 435 C GLY A 60 6.312 -9.321 2.453 1.00 0.58 C ATOM 436 O GLY A 60 5.369 -9.292 1.668 1.00 0.82 O ATOM 0 H GLY A 60 7.001 -8.975 0.029 1.00 0.47 H new ATOM 0 HA2 GLY A 60 8.297 -10.086 2.167 1.00 0.53 H new ATOM 0 HA3 GLY A 60 8.238 -8.378 2.552 1.00 0.53 H new ATOM 440 N THR A 61 6.143 -9.425 3.768 1.00 0.50 N ATOM 441 CA THR A 61 4.857 -9.644 4.456 1.00 0.45 C ATOM 442 C THR A 61 4.620 -8.570 5.516 1.00 0.47 C ATOM 443 O THR A 61 5.575 -7.922 5.960 1.00 0.60 O ATOM 444 CB THR A 61 4.871 -11.015 5.153 1.00 0.64 C ATOM 445 OG1 THR A 61 5.953 -11.100 6.043 1.00 0.87 O ATOM 446 CG2 THR A 61 5.031 -12.184 4.197 1.00 0.76 C ATOM 0 H THR A 61 6.926 -9.357 4.418 1.00 0.50 H new ATOM 0 HA THR A 61 4.062 -9.600 3.711 1.00 0.45 H new ATOM 0 HB THR A 61 3.905 -11.083 5.653 1.00 0.64 H new ATOM 0 HG1 THR A 61 5.706 -11.663 6.806 1.00 0.87 H new ATOM 0 HG21 THR A 61 5.032 -13.117 4.760 1.00 0.76 H new ATOM 0 HG22 THR A 61 4.204 -12.189 3.487 1.00 0.76 H new ATOM 0 HG23 THR A 61 5.972 -12.086 3.656 1.00 0.76 H new ATOM 454 N PRO A 62 3.365 -8.354 5.951 1.00 0.44 N ATOM 455 CA PRO A 62 3.048 -7.236 6.830 1.00 0.67 C ATOM 456 C PRO A 62 3.643 -7.372 8.236 1.00 0.95 C ATOM 457 O PRO A 62 3.899 -6.361 8.891 1.00 1.26 O ATOM 458 CB PRO A 62 1.517 -7.155 6.848 1.00 0.65 C ATOM 459 CG PRO A 62 1.073 -8.580 6.523 1.00 0.48 C ATOM 460 CD PRO A 62 2.151 -9.063 5.565 1.00 0.38 C ATOM 0 HA PRO A 62 3.498 -6.316 6.457 1.00 0.67 H new ATOM 0 HB2 PRO A 62 1.145 -6.832 7.820 1.00 0.65 H new ATOM 0 HB3 PRO A 62 1.145 -6.442 6.112 1.00 0.65 H new ATOM 0 HG2 PRO A 62 1.020 -9.200 7.418 1.00 0.48 H new ATOM 0 HG3 PRO A 62 0.085 -8.600 6.063 1.00 0.48 H new ATOM 0 HD2 PRO A 62 2.287 -10.142 5.639 1.00 0.38 H new ATOM 0 HD3 PRO A 62 1.882 -8.846 4.531 1.00 0.38 H new ATOM 468 N GLU A 63 3.903 -8.597 8.705 1.00 1.01 N ATOM 469 CA GLU A 63 4.477 -8.833 10.032 1.00 1.44 C ATOM 470 C GLU A 63 6.019 -8.812 10.084 1.00 1.70 C ATOM 471 O GLU A 63 6.568 -8.773 11.190 1.00 1.94 O ATOM 472 CB GLU A 63 3.845 -10.087 10.664 1.00 1.59 C ATOM 473 CG GLU A 63 4.354 -11.457 10.184 1.00 1.94 C ATOM 474 CD GLU A 63 4.092 -11.769 8.705 1.00 2.54 C ATOM 475 OE1 GLU A 63 3.019 -11.400 8.170 1.00 3.44 O ATOM 476 OE2 GLU A 63 4.963 -12.409 8.066 1.00 3.62 O ATOM 0 H GLU A 63 3.722 -9.450 8.176 1.00 1.01 H new ATOM 0 HA GLU A 63 4.213 -7.976 10.651 1.00 1.44 H new ATOM 0 HB2 GLU A 63 3.994 -10.032 11.742 1.00 1.59 H new ATOM 0 HB3 GLU A 63 2.770 -10.047 10.488 1.00 1.59 H new ATOM 0 HG2 GLU A 63 5.427 -11.512 10.366 1.00 1.94 H new ATOM 0 HG3 GLU A 63 3.888 -12.233 10.791 1.00 1.94 H new ATOM 483 N GLN A 64 6.726 -8.810 8.940 1.00 1.69 N ATOM 484 CA GLN A 64 8.195 -8.867 8.879 1.00 1.81 C ATOM 485 C GLN A 64 8.859 -7.638 8.209 1.00 1.97 C ATOM 486 O GLN A 64 8.406 -7.177 7.155 1.00 2.34 O ATOM 487 CB GLN A 64 8.623 -10.126 8.128 1.00 1.93 C ATOM 488 CG GLN A 64 8.294 -11.447 8.838 1.00 1.84 C ATOM 489 CD GLN A 64 8.611 -12.634 7.938 1.00 2.16 C ATOM 490 OE1 GLN A 64 9.765 -12.942 7.664 1.00 2.73 O ATOM 491 NE2 GLN A 64 7.626 -13.307 7.396 1.00 2.49 N ATOM 0 H GLN A 64 6.286 -8.768 8.021 1.00 1.69 H new ATOM 0 HA GLN A 64 8.535 -8.876 9.915 1.00 1.81 H new ATOM 0 HB2 GLN A 64 8.144 -10.128 7.149 1.00 1.93 H new ATOM 0 HB3 GLN A 64 9.698 -10.081 7.956 1.00 1.93 H new ATOM 0 HG2 GLN A 64 8.867 -11.522 9.762 1.00 1.84 H new ATOM 0 HG3 GLN A 64 7.240 -11.465 9.114 1.00 1.84 H new ATOM 0 HE21 GLN A 64 6.660 -13.062 7.614 1.00 2.49 H new ATOM 0 HE22 GLN A 64 7.825 -14.076 6.756 1.00 2.49 H new ATOM 500 N PRO A 65 10.011 -7.154 8.721 1.00 1.88 N ATOM 501 CA PRO A 65 10.883 -6.218 8.015 1.00 1.91 C ATOM 502 C PRO A 65 11.686 -6.958 6.929 1.00 1.52 C ATOM 503 O PRO A 65 12.865 -7.277 7.106 1.00 1.58 O ATOM 504 CB PRO A 65 11.760 -5.594 9.108 1.00 2.14 C ATOM 505 CG PRO A 65 11.925 -6.735 10.111 1.00 2.17 C ATOM 506 CD PRO A 65 10.592 -7.483 10.016 1.00 1.94 C ATOM 0 HA PRO A 65 10.341 -5.438 7.480 1.00 1.91 H new ATOM 0 HB2 PRO A 65 12.720 -5.261 8.714 1.00 2.14 H new ATOM 0 HB3 PRO A 65 11.283 -4.725 9.561 1.00 2.14 H new ATOM 0 HG2 PRO A 65 12.766 -7.378 9.854 1.00 2.17 H new ATOM 0 HG3 PRO A 65 12.106 -6.362 11.119 1.00 2.17 H new ATOM 0 HD2 PRO A 65 10.746 -8.558 10.108 1.00 1.94 H new ATOM 0 HD3 PRO A 65 9.925 -7.186 10.825 1.00 1.94 H new ATOM 514 N GLN A 66 11.038 -7.243 5.795 1.00 1.27 N ATOM 515 CA GLN A 66 11.617 -7.903 4.611 1.00 0.93 C ATOM 516 C GLN A 66 13.005 -7.387 4.193 1.00 0.89 C ATOM 517 O GLN A 66 13.912 -8.151 3.853 1.00 0.99 O ATOM 518 CB GLN A 66 10.639 -7.736 3.452 1.00 0.80 C ATOM 519 CG GLN A 66 10.674 -6.521 2.496 1.00 1.32 C ATOM 520 CD GLN A 66 10.469 -5.115 3.029 1.00 1.51 C ATOM 521 OE1 GLN A 66 10.666 -4.784 4.189 1.00 3.24 O ATOM 522 NE2 GLN A 66 10.039 -4.223 2.172 1.00 1.31 N ATOM 0 H GLN A 66 10.053 -7.012 5.667 1.00 1.27 H new ATOM 0 HA GLN A 66 11.771 -8.948 4.878 1.00 0.93 H new ATOM 0 HB2 GLN A 66 10.741 -8.624 2.829 1.00 0.80 H new ATOM 0 HB3 GLN A 66 9.638 -7.763 3.884 1.00 0.80 H new ATOM 0 HG2 GLN A 66 11.640 -6.536 1.992 1.00 1.32 H new ATOM 0 HG3 GLN A 66 9.914 -6.690 1.733 1.00 1.32 H new ATOM 0 HE21 GLN A 66 9.871 -4.488 1.201 1.00 1.31 H new ATOM 0 HE22 GLN A 66 9.872 -3.264 2.475 1.00 1.31 H new ATOM 531 N CYS A 67 13.113 -6.058 4.187 1.00 0.92 N ATOM 532 CA CYS A 67 14.274 -5.238 3.893 1.00 1.01 C ATOM 533 C CYS A 67 14.059 -3.823 4.499 1.00 1.17 C ATOM 534 O CYS A 67 14.158 -2.796 3.819 1.00 2.86 O ATOM 535 CB CYS A 67 14.519 -5.243 2.374 1.00 0.99 C ATOM 536 SG CYS A 67 16.171 -4.577 2.022 1.00 1.34 S ATOM 0 H CYS A 67 12.305 -5.477 4.411 1.00 0.92 H new ATOM 0 HA CYS A 67 15.179 -5.636 4.352 1.00 1.01 H new ATOM 0 HB2 CYS A 67 14.434 -6.258 1.985 1.00 0.99 H new ATOM 0 HB3 CYS A 67 13.760 -4.644 1.871 1.00 0.99 H new ATOM 0 HG CYS A 67 16.377 -4.584 0.738 1.00 1.34 H new ATOM 542 N GLY A 68 13.636 -3.773 5.771 1.00 1.48 N ATOM 543 CA GLY A 68 13.419 -2.557 6.577 1.00 1.76 C ATOM 544 C GLY A 68 12.210 -1.670 6.243 1.00 1.78 C ATOM 545 O GLY A 68 12.063 -0.616 6.869 1.00 3.51 O ATOM 0 H GLY A 68 13.424 -4.622 6.295 1.00 1.48 H new ATOM 0 HA2 GLY A 68 13.331 -2.861 7.620 1.00 1.76 H new ATOM 0 HA3 GLY A 68 14.315 -1.941 6.499 1.00 1.76 H new ATOM 549 N PHE A 69 11.379 -2.025 5.254 1.00 1.48 N ATOM 550 CA PHE A 69 10.342 -1.130 4.710 1.00 1.15 C ATOM 551 C PHE A 69 8.896 -1.646 4.793 1.00 0.93 C ATOM 552 O PHE A 69 7.972 -0.845 4.908 1.00 0.77 O ATOM 553 CB PHE A 69 10.702 -0.763 3.262 1.00 1.68 C ATOM 554 CG PHE A 69 11.482 0.525 3.137 1.00 1.01 C ATOM 555 CD1 PHE A 69 12.744 0.704 3.733 1.00 2.16 C ATOM 556 CD2 PHE A 69 10.876 1.594 2.467 1.00 1.62 C ATOM 557 CE1 PHE A 69 13.371 1.962 3.673 1.00 2.70 C ATOM 558 CE2 PHE A 69 11.486 2.850 2.405 1.00 1.94 C ATOM 559 CZ PHE A 69 12.744 3.039 3.011 1.00 2.17 C ATOM 0 H PHE A 69 11.405 -2.941 4.806 1.00 1.48 H new ATOM 0 HA PHE A 69 10.345 -0.253 5.357 1.00 1.15 H new ATOM 0 HB2 PHE A 69 11.285 -1.574 2.825 1.00 1.68 H new ATOM 0 HB3 PHE A 69 9.785 -0.680 2.679 1.00 1.68 H new ATOM 0 HD1 PHE A 69 13.229 -0.121 4.234 1.00 2.16 H new ATOM 0 HD2 PHE A 69 9.919 1.446 1.989 1.00 1.62 H new ATOM 0 HE1 PHE A 69 14.336 2.104 4.136 1.00 2.70 H new ATOM 0 HE2 PHE A 69 10.997 3.668 1.897 1.00 1.94 H new ATOM 0 HZ PHE A 69 13.226 4.004 2.969 1.00 2.17 H new ATOM 569 N SER A 70 8.673 -2.957 4.723 1.00 1.04 N ATOM 570 CA SER A 70 7.336 -3.578 4.661 1.00 0.99 C ATOM 571 C SER A 70 6.569 -3.387 5.974 1.00 0.89 C ATOM 572 O SER A 70 5.366 -3.149 6.001 1.00 0.79 O ATOM 573 CB SER A 70 7.500 -5.064 4.303 1.00 1.23 C ATOM 574 OG SER A 70 6.316 -5.819 4.364 1.00 3.03 O ATOM 0 H SER A 70 9.430 -3.640 4.707 1.00 1.04 H new ATOM 0 HA SER A 70 6.742 -3.090 3.889 1.00 0.99 H new ATOM 0 HB2 SER A 70 7.910 -5.137 3.296 1.00 1.23 H new ATOM 0 HB3 SER A 70 8.232 -5.507 4.978 1.00 1.23 H new ATOM 0 HG SER A 70 6.393 -6.492 5.072 1.00 3.03 H new ATOM 580 N ASN A 71 7.309 -3.357 7.073 1.00 0.96 N ATOM 581 CA ASN A 71 6.841 -2.974 8.392 1.00 0.79 C ATOM 582 C ASN A 71 6.566 -1.473 8.546 1.00 0.69 C ATOM 583 O ASN A 71 5.599 -1.108 9.195 1.00 0.60 O ATOM 584 CB ASN A 71 7.898 -3.471 9.368 1.00 0.95 C ATOM 585 CG ASN A 71 9.203 -2.745 9.171 1.00 2.35 C ATOM 586 OD1 ASN A 71 9.873 -2.880 8.156 1.00 3.96 O ATOM 587 ND2 ASN A 71 9.514 -1.857 10.065 1.00 2.84 N ATOM 0 H ASN A 71 8.297 -3.611 7.066 1.00 0.96 H new ATOM 0 HA ASN A 71 5.868 -3.425 8.586 1.00 0.79 H new ATOM 0 HB2 ASN A 71 7.549 -3.327 10.391 1.00 0.95 H new ATOM 0 HB3 ASN A 71 8.050 -4.542 9.230 1.00 0.95 H new ATOM 0 HD21 ASN A 71 10.328 -1.258 9.927 1.00 2.84 H new ATOM 0 HD22 ASN A 71 8.944 -1.758 10.905 1.00 2.84 H new ATOM 594 N ALA A 72 7.359 -0.596 7.932 1.00 0.73 N ATOM 595 CA ALA A 72 7.208 0.863 8.067 1.00 0.71 C ATOM 596 C ALA A 72 5.859 1.377 7.552 1.00 0.54 C ATOM 597 O ALA A 72 5.232 2.245 8.168 1.00 0.55 O ATOM 598 CB ALA A 72 8.379 1.560 7.367 1.00 0.83 C ATOM 0 H ALA A 72 8.129 -0.873 7.323 1.00 0.73 H new ATOM 0 HA ALA A 72 7.224 1.104 9.130 1.00 0.71 H new ATOM 0 HB1 ALA A 72 8.271 2.640 7.465 1.00 0.83 H new ATOM 0 HB2 ALA A 72 9.316 1.246 7.826 1.00 0.83 H new ATOM 0 HB3 ALA A 72 8.384 1.290 6.311 1.00 0.83 H new ATOM 604 N VAL A 73 5.366 0.783 6.466 1.00 0.45 N ATOM 605 CA VAL A 73 4.057 1.059 5.914 1.00 0.38 C ATOM 606 C VAL A 73 2.923 0.448 6.736 1.00 0.34 C ATOM 607 O VAL A 73 1.880 1.073 6.916 1.00 0.34 O ATOM 608 CB VAL A 73 4.031 0.599 4.453 1.00 0.44 C ATOM 609 CG1 VAL A 73 4.915 1.510 3.596 1.00 0.54 C ATOM 610 CG2 VAL A 73 4.511 -0.815 4.204 1.00 0.49 C ATOM 0 H VAL A 73 5.885 0.081 5.939 1.00 0.45 H new ATOM 0 HA VAL A 73 3.882 2.134 5.955 1.00 0.38 H new ATOM 0 HB VAL A 73 2.975 0.644 4.187 1.00 0.44 H new ATOM 0 HG11 VAL A 73 4.888 1.173 2.560 1.00 0.54 H new ATOM 0 HG12 VAL A 73 4.546 2.534 3.654 1.00 0.54 H new ATOM 0 HG13 VAL A 73 5.940 1.472 3.963 1.00 0.54 H new ATOM 0 HG21 VAL A 73 4.451 -1.037 3.139 1.00 0.49 H new ATOM 0 HG22 VAL A 73 5.544 -0.913 4.537 1.00 0.49 H new ATOM 0 HG23 VAL A 73 3.884 -1.515 4.757 1.00 0.49 H new ATOM 620 N VAL A 74 3.147 -0.739 7.303 1.00 0.36 N ATOM 621 CA VAL A 74 2.166 -1.445 8.140 1.00 0.37 C ATOM 622 C VAL A 74 2.050 -0.828 9.533 1.00 0.33 C ATOM 623 O VAL A 74 0.952 -0.766 10.078 1.00 0.34 O ATOM 624 CB VAL A 74 2.470 -2.947 8.158 1.00 0.49 C ATOM 625 CG1 VAL A 74 1.572 -3.728 9.124 1.00 0.59 C ATOM 626 CG2 VAL A 74 2.229 -3.484 6.741 1.00 0.59 C ATOM 0 H VAL A 74 4.025 -1.246 7.194 1.00 0.36 H new ATOM 0 HA VAL A 74 1.177 -1.325 7.697 1.00 0.37 H new ATOM 0 HB VAL A 74 3.499 -3.079 8.492 1.00 0.49 H new ATOM 0 HG11 VAL A 74 1.836 -4.785 9.092 1.00 0.59 H new ATOM 0 HG12 VAL A 74 1.712 -3.350 10.137 1.00 0.59 H new ATOM 0 HG13 VAL A 74 0.529 -3.605 8.831 1.00 0.59 H new ATOM 0 HG21 VAL A 74 2.437 -4.554 6.717 1.00 0.59 H new ATOM 0 HG22 VAL A 74 1.191 -3.309 6.457 1.00 0.59 H new ATOM 0 HG23 VAL A 74 2.888 -2.971 6.041 1.00 0.59 H new ATOM 636 N GLN A 75 3.136 -0.260 10.059 1.00 0.33 N ATOM 637 CA GLN A 75 3.148 0.626 11.218 1.00 0.36 C ATOM 638 C GLN A 75 2.260 1.850 10.980 1.00 0.32 C ATOM 639 O GLN A 75 1.373 2.111 11.785 1.00 0.35 O ATOM 640 CB GLN A 75 4.596 1.010 11.559 1.00 0.49 C ATOM 641 CG GLN A 75 5.334 -0.137 12.274 1.00 0.56 C ATOM 642 CD GLN A 75 4.848 -0.381 13.699 1.00 0.94 C ATOM 643 OE1 GLN A 75 4.272 0.478 14.354 1.00 2.05 O ATOM 644 NE2 GLN A 75 5.028 -1.560 14.245 1.00 0.91 N ATOM 0 H GLN A 75 4.067 -0.412 9.672 1.00 0.33 H new ATOM 0 HA GLN A 75 2.730 0.103 12.078 1.00 0.36 H new ATOM 0 HB2 GLN A 75 5.128 1.272 10.645 1.00 0.49 H new ATOM 0 HB3 GLN A 75 4.598 1.896 12.194 1.00 0.49 H new ATOM 0 HG2 GLN A 75 5.212 -1.053 11.696 1.00 0.56 H new ATOM 0 HG3 GLN A 75 6.401 0.086 12.296 1.00 0.56 H new ATOM 0 HE21 GLN A 75 5.505 -2.296 13.724 1.00 0.91 H new ATOM 0 HE22 GLN A 75 4.691 -1.741 15.191 1.00 0.91 H new ATOM 653 N ILE A 76 2.390 2.548 9.846 1.00 0.28 N ATOM 654 CA ILE A 76 1.501 3.684 9.535 1.00 0.26 C ATOM 655 C ILE A 76 0.033 3.240 9.469 1.00 0.28 C ATOM 656 O ILE A 76 -0.834 3.898 10.044 1.00 0.29 O ATOM 657 CB ILE A 76 1.980 4.385 8.243 1.00 0.28 C ATOM 658 CG1 ILE A 76 3.254 5.183 8.584 1.00 0.30 C ATOM 659 CG2 ILE A 76 0.912 5.309 7.628 1.00 0.35 C ATOM 660 CD1 ILE A 76 4.036 5.658 7.361 1.00 0.35 C ATOM 0 H ILE A 76 3.093 2.353 9.133 1.00 0.28 H new ATOM 0 HA ILE A 76 1.554 4.415 10.342 1.00 0.26 H new ATOM 0 HB ILE A 76 2.182 3.624 7.489 1.00 0.28 H new ATOM 0 HG12 ILE A 76 2.978 6.050 9.185 1.00 0.30 H new ATOM 0 HG13 ILE A 76 3.905 4.563 9.200 1.00 0.30 H new ATOM 0 HG21 ILE A 76 1.308 5.772 6.724 1.00 0.35 H new ATOM 0 HG22 ILE A 76 0.026 4.725 7.379 1.00 0.35 H new ATOM 0 HG23 ILE A 76 0.645 6.085 8.346 1.00 0.35 H new ATOM 0 HD11 ILE A 76 4.918 6.211 7.685 1.00 0.35 H new ATOM 0 HD12 ILE A 76 4.345 4.796 6.770 1.00 0.35 H new ATOM 0 HD13 ILE A 76 3.404 6.306 6.754 1.00 0.35 H new ATOM 672 N LEU A 77 -0.243 2.101 8.831 1.00 0.29 N ATOM 673 CA LEU A 77 -1.593 1.540 8.727 1.00 0.29 C ATOM 674 C LEU A 77 -2.188 1.178 10.100 1.00 0.33 C ATOM 675 O LEU A 77 -3.197 1.772 10.490 1.00 0.35 O ATOM 676 CB LEU A 77 -1.567 0.369 7.728 1.00 0.30 C ATOM 677 CG LEU A 77 -1.442 0.855 6.272 1.00 0.28 C ATOM 678 CD1 LEU A 77 -0.977 -0.268 5.348 1.00 0.33 C ATOM 679 CD2 LEU A 77 -2.796 1.362 5.767 1.00 0.34 C ATOM 0 H LEU A 77 0.469 1.537 8.368 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.274 2.297 8.339 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -0.731 -0.290 7.963 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.477 -0.220 7.837 1.00 0.30 H new ATOM 0 HG LEU A 77 -0.705 1.658 6.260 1.00 0.28 H new ATOM 0 HD11 LEU A 77 -0.899 0.109 4.328 1.00 0.33 H new ATOM 0 HD12 LEU A 77 -0.003 -0.630 5.677 1.00 0.33 H new ATOM 0 HD13 LEU A 77 -1.697 -1.086 5.379 1.00 0.33 H new ATOM 0 HD21 LEU A 77 -2.696 1.703 4.737 1.00 0.34 H new ATOM 0 HD22 LEU A 77 -3.527 0.555 5.812 1.00 0.34 H new ATOM 0 HD23 LEU A 77 -3.131 2.190 6.392 1.00 0.34 H new ATOM 691 N ARG A 78 -1.550 0.296 10.881 1.00 0.36 N ATOM 692 CA ARG A 78 -1.987 -0.095 12.220 1.00 0.43 C ATOM 693 C ARG A 78 -2.113 1.063 13.220 1.00 0.43 C ATOM 694 O ARG A 78 -3.027 1.034 14.045 1.00 0.49 O ATOM 695 CB ARG A 78 -1.050 -1.213 12.712 1.00 0.50 C ATOM 696 CG ARG A 78 0.270 -0.730 13.335 1.00 0.56 C ATOM 697 CD ARG A 78 1.231 -1.857 13.756 1.00 0.80 C ATOM 698 NE ARG A 78 1.136 -2.190 15.193 1.00 1.72 N ATOM 699 CZ ARG A 78 1.571 -1.473 16.220 1.00 3.11 C ATOM 700 NH1 ARG A 78 2.168 -0.327 16.076 1.00 4.22 N ATOM 701 NH2 ARG A 78 1.445 -1.891 17.443 1.00 4.20 N ATOM 0 H ARG A 78 -0.694 -0.175 10.588 1.00 0.36 H new ATOM 0 HA ARG A 78 -3.011 -0.462 12.152 1.00 0.43 H new ATOM 0 HB2 ARG A 78 -1.583 -1.815 13.449 1.00 0.50 H new ATOM 0 HB3 ARG A 78 -0.819 -1.868 11.872 1.00 0.50 H new ATOM 0 HG2 ARG A 78 0.779 -0.085 12.619 1.00 0.56 H new ATOM 0 HG3 ARG A 78 0.042 -0.120 14.209 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.017 -2.749 13.167 1.00 0.80 H new ATOM 0 HD3 ARG A 78 2.254 -1.560 13.524 1.00 0.80 H new ATOM 0 HE ARG A 78 0.683 -3.075 15.421 1.00 1.72 H new ATOM 0 HH11 ARG A 78 2.319 0.056 15.143 1.00 4.22 H new ATOM 0 HH12 ARG A 78 2.486 0.189 16.896 1.00 4.22 H new ATOM 0 HH21 ARG A 78 1.003 -2.791 17.631 1.00 4.20 H new ATOM 0 HH22 ARG A 78 1.788 -1.320 18.215 1.00 4.20 H new ATOM 715 N LEU A 79 -1.267 2.101 13.132 1.00 0.39 N ATOM 716 CA LEU A 79 -1.375 3.331 13.927 1.00 0.41 C ATOM 717 C LEU A 79 -2.662 4.101 13.600 1.00 0.42 C ATOM 718 O LEU A 79 -3.342 4.585 14.503 1.00 0.49 O ATOM 719 CB LEU A 79 -0.163 4.228 13.629 1.00 0.37 C ATOM 720 CG LEU A 79 1.166 3.832 14.296 1.00 0.38 C ATOM 721 CD1 LEU A 79 2.250 4.745 13.723 1.00 0.37 C ATOM 722 CD2 LEU A 79 1.148 3.982 15.818 1.00 0.46 C ATOM 0 H LEU A 79 -0.473 2.107 12.492 1.00 0.39 H new ATOM 0 HA LEU A 79 -1.401 3.056 14.981 1.00 0.41 H new ATOM 0 HB2 LEU A 79 -0.010 4.248 12.550 1.00 0.37 H new ATOM 0 HB3 LEU A 79 -0.408 5.245 13.935 1.00 0.37 H new ATOM 0 HG LEU A 79 1.350 2.778 14.089 1.00 0.38 H new ATOM 0 HD11 LEU A 79 3.211 4.495 14.172 1.00 0.37 H new ATOM 0 HD12 LEU A 79 2.308 4.608 12.643 1.00 0.37 H new ATOM 0 HD13 LEU A 79 2.005 5.784 13.944 1.00 0.37 H new ATOM 0 HD21 LEU A 79 2.115 3.686 16.224 1.00 0.46 H new ATOM 0 HD22 LEU A 79 0.947 5.021 16.079 1.00 0.46 H new ATOM 0 HD23 LEU A 79 0.369 3.346 16.237 1.00 0.46 H new ATOM 734 N HIS A 80 -3.031 4.149 12.318 1.00 0.37 N ATOM 735 CA HIS A 80 -4.320 4.646 11.841 1.00 0.39 C ATOM 736 C HIS A 80 -5.491 3.666 12.074 1.00 0.43 C ATOM 737 O HIS A 80 -6.619 3.957 11.673 1.00 0.47 O ATOM 738 CB HIS A 80 -4.174 5.048 10.363 1.00 0.35 C ATOM 739 CG HIS A 80 -3.569 6.417 10.186 1.00 0.35 C ATOM 740 ND1 HIS A 80 -4.197 7.592 10.498 1.00 0.41 N ATOM 741 CD2 HIS A 80 -2.345 6.748 9.669 1.00 0.32 C ATOM 742 CE1 HIS A 80 -3.404 8.610 10.159 1.00 0.37 C ATOM 743 NE2 HIS A 80 -2.253 8.150 9.633 1.00 0.33 N ATOM 0 H HIS A 80 -2.422 3.834 11.563 1.00 0.37 H new ATOM 0 HA HIS A 80 -4.588 5.521 12.434 1.00 0.39 H new ATOM 0 HB2 HIS A 80 -3.553 4.313 9.851 1.00 0.35 H new ATOM 0 HB3 HIS A 80 -5.154 5.025 9.887 1.00 0.35 H new ATOM 0 HD2 HIS A 80 -1.584 6.053 9.346 1.00 0.32 H new ATOM 0 HE1 HIS A 80 -3.650 9.654 10.288 1.00 0.37 H new ATOM 0 HE2 HIS A 80 -1.474 8.706 9.280 1.00 0.33 H new ATOM 751 N GLY A 81 -5.273 2.527 12.737 1.00 0.45 N ATOM 752 CA GLY A 81 -6.303 1.517 12.996 1.00 0.52 C ATOM 753 C GLY A 81 -6.582 0.577 11.816 1.00 0.46 C ATOM 754 O GLY A 81 -7.472 -0.266 11.917 1.00 0.64 O ATOM 0 H GLY A 81 -4.360 2.276 13.116 1.00 0.45 H new ATOM 0 HA2 GLY A 81 -6.001 0.920 13.856 1.00 0.52 H new ATOM 0 HA3 GLY A 81 -7.229 2.022 13.269 1.00 0.52 H new ATOM 758 N VAL A 82 -5.848 0.712 10.708 1.00 0.35 N ATOM 759 CA VAL A 82 -6.075 -0.026 9.458 1.00 0.38 C ATOM 760 C VAL A 82 -5.257 -1.315 9.447 1.00 0.38 C ATOM 761 O VAL A 82 -4.030 -1.289 9.520 1.00 0.40 O ATOM 762 CB VAL A 82 -5.774 0.842 8.220 1.00 0.38 C ATOM 763 CG1 VAL A 82 -6.169 0.105 6.932 1.00 0.44 C ATOM 764 CG2 VAL A 82 -6.539 2.173 8.235 1.00 0.45 C ATOM 0 H VAL A 82 -5.058 1.354 10.652 1.00 0.35 H new ATOM 0 HA VAL A 82 -7.132 -0.290 9.410 1.00 0.38 H new ATOM 0 HB VAL A 82 -4.703 1.040 8.249 1.00 0.38 H new ATOM 0 HG11 VAL A 82 -5.948 0.735 6.070 1.00 0.44 H new ATOM 0 HG12 VAL A 82 -5.604 -0.824 6.857 1.00 0.44 H new ATOM 0 HG13 VAL A 82 -7.235 -0.120 6.954 1.00 0.44 H new ATOM 0 HG21 VAL A 82 -6.291 2.745 7.341 1.00 0.45 H new ATOM 0 HG22 VAL A 82 -7.611 1.976 8.254 1.00 0.45 H new ATOM 0 HG23 VAL A 82 -6.259 2.744 9.121 1.00 0.45 H new ATOM 774 N ARG A 83 -5.947 -2.450 9.327 1.00 0.40 N ATOM 775 CA ARG A 83 -5.412 -3.805 9.411 1.00 0.42 C ATOM 776 C ARG A 83 -6.085 -4.786 8.447 1.00 0.44 C ATOM 777 O ARG A 83 -5.658 -5.934 8.349 1.00 0.62 O ATOM 778 CB ARG A 83 -5.420 -4.276 10.870 1.00 0.60 C ATOM 779 CG ARG A 83 -6.707 -4.065 11.673 1.00 0.88 C ATOM 780 CD ARG A 83 -7.828 -5.068 11.379 1.00 1.73 C ATOM 781 NE ARG A 83 -7.526 -6.409 11.919 1.00 2.38 N ATOM 782 CZ ARG A 83 -7.485 -7.565 11.283 1.00 4.01 C ATOM 783 NH1 ARG A 83 -7.812 -7.721 10.034 1.00 4.95 N ATOM 784 NH2 ARG A 83 -7.111 -8.612 11.947 1.00 5.20 N ATOM 0 H ARG A 83 -6.953 -2.445 9.159 1.00 0.40 H new ATOM 0 HA ARG A 83 -4.376 -3.780 9.073 1.00 0.42 H new ATOM 0 HB2 ARG A 83 -5.187 -5.341 10.881 1.00 0.60 H new ATOM 0 HB3 ARG A 83 -4.610 -3.767 11.392 1.00 0.60 H new ATOM 0 HG2 ARG A 83 -6.466 -4.113 12.735 1.00 0.88 H new ATOM 0 HG3 ARG A 83 -7.079 -3.060 11.476 1.00 0.88 H new ATOM 0 HD2 ARG A 83 -8.761 -4.705 11.810 1.00 1.73 H new ATOM 0 HD3 ARG A 83 -7.980 -5.137 10.302 1.00 1.73 H new ATOM 0 HE ARG A 83 -7.322 -6.447 12.918 1.00 2.38 H new ATOM 0 HH11 ARG A 83 -8.123 -6.920 9.484 1.00 4.95 H new ATOM 0 HH12 ARG A 83 -7.757 -8.644 9.604 1.00 4.95 H new ATOM 0 HH21 ARG A 83 -6.859 -8.528 12.932 1.00 5.20 H new ATOM 0 HH22 ARG A 83 -7.068 -9.520 11.485 1.00 5.20 H new ATOM 798 N ASP A 84 -7.115 -4.325 7.732 1.00 0.49 N ATOM 799 CA ASP A 84 -7.899 -5.080 6.747 1.00 0.57 C ATOM 800 C ASP A 84 -7.423 -4.875 5.293 1.00 0.51 C ATOM 801 O ASP A 84 -8.200 -5.077 4.356 1.00 0.64 O ATOM 802 CB ASP A 84 -9.407 -4.779 6.904 1.00 0.92 C ATOM 803 CG ASP A 84 -9.953 -5.007 8.316 1.00 2.02 C ATOM 804 OD1 ASP A 84 -9.750 -6.109 8.875 1.00 3.32 O ATOM 805 OD2 ASP A 84 -10.570 -4.076 8.890 1.00 3.04 O ATOM 0 H ASP A 84 -7.443 -3.364 7.829 1.00 0.49 H new ATOM 0 HA ASP A 84 -7.732 -6.136 6.959 1.00 0.57 H new ATOM 0 HB2 ASP A 84 -9.590 -3.743 6.620 1.00 0.92 H new ATOM 0 HB3 ASP A 84 -9.965 -5.404 6.207 1.00 0.92 H new ATOM 810 N TYR A 85 -6.151 -4.511 5.075 1.00 0.39 N ATOM 811 CA TYR A 85 -5.566 -4.497 3.733 1.00 0.34 C ATOM 812 C TYR A 85 -5.387 -5.932 3.204 1.00 0.37 C ATOM 813 O TYR A 85 -5.358 -6.903 3.971 1.00 0.43 O ATOM 814 CB TYR A 85 -4.174 -3.800 3.709 1.00 0.33 C ATOM 815 CG TYR A 85 -3.269 -4.144 4.867 1.00 0.34 C ATOM 816 CD1 TYR A 85 -2.620 -5.382 4.799 1.00 1.87 C ATOM 817 CD2 TYR A 85 -3.138 -3.322 6.010 1.00 1.91 C ATOM 818 CE1 TYR A 85 -1.922 -5.867 5.922 1.00 1.85 C ATOM 819 CE2 TYR A 85 -2.389 -3.780 7.110 1.00 1.96 C ATOM 820 CZ TYR A 85 -1.816 -5.069 7.084 1.00 0.43 C ATOM 821 OH TYR A 85 -1.203 -5.547 8.197 1.00 0.51 O ATOM 0 H TYR A 85 -5.510 -4.223 5.814 1.00 0.39 H new ATOM 0 HA TYR A 85 -6.257 -3.938 3.102 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -3.668 -4.065 2.781 1.00 0.33 H new ATOM 0 HB3 TYR A 85 -4.325 -2.721 3.693 1.00 0.33 H new ATOM 0 HD1 TYR A 85 -2.654 -5.963 3.889 1.00 1.87 H new ATOM 0 HD2 TYR A 85 -3.609 -2.350 6.039 1.00 1.91 H new ATOM 0 HE1 TYR A 85 -1.469 -6.847 5.895 1.00 1.85 H new ATOM 0 HE2 TYR A 85 -2.253 -3.145 7.973 1.00 1.96 H new ATOM 0 HH TYR A 85 -1.221 -4.864 8.899 1.00 0.51 H new ATOM 831 N ALA A 86 -5.142 -6.053 1.898 1.00 0.36 N ATOM 832 CA ALA A 86 -4.526 -7.242 1.314 1.00 0.35 C ATOM 833 C ALA A 86 -3.052 -6.932 1.033 1.00 0.34 C ATOM 834 O ALA A 86 -2.755 -6.111 0.165 1.00 0.42 O ATOM 835 CB ALA A 86 -5.314 -7.649 0.067 1.00 0.39 C ATOM 0 H ALA A 86 -5.366 -5.328 1.216 1.00 0.36 H new ATOM 0 HA ALA A 86 -4.555 -8.094 1.994 1.00 0.35 H new ATOM 0 HB1 ALA A 86 -4.861 -8.536 -0.376 1.00 0.39 H new ATOM 0 HB2 ALA A 86 -6.345 -7.868 0.344 1.00 0.39 H new ATOM 0 HB3 ALA A 86 -5.297 -6.834 -0.656 1.00 0.39 H new ATOM 841 N ALA A 87 -2.131 -7.509 1.811 1.00 0.29 N ATOM 842 CA ALA A 87 -0.701 -7.261 1.646 1.00 0.28 C ATOM 843 C ALA A 87 -0.118 -8.264 0.610 1.00 0.29 C ATOM 844 O ALA A 87 0.054 -9.452 0.901 1.00 0.35 O ATOM 845 CB ALA A 87 0.022 -7.426 2.998 1.00 0.30 C ATOM 0 H ALA A 87 -2.356 -8.156 2.567 1.00 0.29 H new ATOM 0 HA ALA A 87 -0.551 -6.242 1.288 1.00 0.28 H new ATOM 0 HB1 ALA A 87 1.088 -7.239 2.866 1.00 0.30 H new ATOM 0 HB2 ALA A 87 -0.385 -6.715 3.717 1.00 0.30 H new ATOM 0 HB3 ALA A 87 -0.125 -8.441 3.368 1.00 0.30 H new ATOM 851 N TYR A 88 0.192 -7.804 -0.596 1.00 0.30 N ATOM 852 CA TYR A 88 0.844 -8.538 -1.680 1.00 0.37 C ATOM 853 C TYR A 88 2.354 -8.630 -1.504 1.00 0.37 C ATOM 854 O TYR A 88 3.063 -7.621 -1.603 1.00 0.36 O ATOM 855 CB TYR A 88 0.537 -7.847 -3.010 1.00 0.44 C ATOM 856 CG TYR A 88 -0.911 -7.913 -3.432 1.00 0.56 C ATOM 857 CD1 TYR A 88 -1.389 -9.092 -4.028 1.00 1.69 C ATOM 858 CD2 TYR A 88 -1.747 -6.786 -3.299 1.00 2.02 C ATOM 859 CE1 TYR A 88 -2.699 -9.139 -4.524 1.00 1.69 C ATOM 860 CE2 TYR A 88 -3.042 -6.803 -3.859 1.00 2.21 C ATOM 861 CZ TYR A 88 -3.525 -7.997 -4.448 1.00 1.04 C ATOM 862 OH TYR A 88 -4.759 -8.050 -5.009 1.00 1.37 O ATOM 0 H TYR A 88 -0.019 -6.843 -0.863 1.00 0.30 H new ATOM 0 HA TYR A 88 0.451 -9.555 -1.666 1.00 0.37 H new ATOM 0 HB2 TYR A 88 0.834 -6.801 -2.938 1.00 0.44 H new ATOM 0 HB3 TYR A 88 1.150 -8.299 -3.790 1.00 0.44 H new ATOM 0 HD1 TYR A 88 -0.749 -9.959 -4.104 1.00 1.69 H new ATOM 0 HD2 TYR A 88 -1.397 -5.912 -2.770 1.00 2.02 H new ATOM 0 HE1 TYR A 88 -3.077 -10.050 -4.965 1.00 1.69 H new ATOM 0 HE2 TYR A 88 -3.658 -5.916 -3.839 1.00 2.21 H new ATOM 0 HH TYR A 88 -4.895 -7.261 -5.575 1.00 1.37 H new ATOM 872 N ASN A 89 2.847 -9.858 -1.338 1.00 0.46 N ATOM 873 CA ASN A 89 4.239 -10.184 -1.366 1.00 0.54 C ATOM 874 C ASN A 89 4.742 -10.458 -2.789 1.00 0.53 C ATOM 875 O ASN A 89 4.503 -11.525 -3.360 1.00 0.65 O ATOM 876 CB ASN A 89 4.393 -11.396 -0.457 1.00 0.73 C ATOM 877 CG ASN A 89 5.839 -11.642 -0.152 1.00 1.29 C ATOM 878 OD1 ASN A 89 6.745 -11.275 -0.886 1.00 2.37 O ATOM 879 ND2 ASN A 89 6.094 -12.230 0.976 1.00 1.12 N ATOM 0 H ASN A 89 2.251 -10.669 -1.176 1.00 0.46 H new ATOM 0 HA ASN A 89 4.848 -9.349 -1.018 1.00 0.54 H new ATOM 0 HB2 ASN A 89 3.842 -11.235 0.470 1.00 0.73 H new ATOM 0 HB3 ASN A 89 3.962 -12.275 -0.936 1.00 0.73 H new ATOM 0 HD21 ASN A 89 7.060 -12.391 1.260 1.00 1.12 H new ATOM 0 HD22 ASN A 89 5.328 -12.531 1.579 1.00 1.12 H new ATOM 886 N VAL A 90 5.508 -9.526 -3.350 1.00 0.50 N ATOM 887 CA VAL A 90 6.085 -9.700 -4.700 1.00 0.60 C ATOM 888 C VAL A 90 7.236 -10.719 -4.773 1.00 0.68 C ATOM 889 O VAL A 90 7.708 -11.022 -5.866 1.00 0.89 O ATOM 890 CB VAL A 90 6.451 -8.366 -5.368 1.00 0.76 C ATOM 891 CG1 VAL A 90 5.243 -7.424 -5.398 1.00 0.82 C ATOM 892 CG2 VAL A 90 7.624 -7.634 -4.714 1.00 0.79 C ATOM 0 H VAL A 90 5.749 -8.642 -2.901 1.00 0.50 H new ATOM 0 HA VAL A 90 5.277 -10.139 -5.284 1.00 0.60 H new ATOM 0 HB VAL A 90 6.762 -8.635 -6.377 1.00 0.76 H new ATOM 0 HG11 VAL A 90 5.525 -6.486 -5.875 1.00 0.82 H new ATOM 0 HG12 VAL A 90 4.433 -7.888 -5.961 1.00 0.82 H new ATOM 0 HG13 VAL A 90 4.910 -7.227 -4.379 1.00 0.82 H new ATOM 0 HG21 VAL A 90 7.815 -6.703 -5.248 1.00 0.79 H new ATOM 0 HG22 VAL A 90 7.381 -7.413 -3.675 1.00 0.79 H new ATOM 0 HG23 VAL A 90 8.513 -8.264 -4.753 1.00 0.79 H new ATOM 902 N LEU A 91 7.671 -11.300 -3.648 1.00 0.66 N ATOM 903 CA LEU A 91 8.607 -12.434 -3.631 1.00 0.78 C ATOM 904 C LEU A 91 7.916 -13.758 -4.000 1.00 0.79 C ATOM 905 O LEU A 91 8.553 -14.643 -4.574 1.00 0.89 O ATOM 906 CB LEU A 91 9.266 -12.566 -2.248 1.00 0.90 C ATOM 907 CG LEU A 91 10.042 -11.350 -1.729 1.00 0.98 C ATOM 908 CD1 LEU A 91 10.527 -11.634 -0.306 1.00 1.05 C ATOM 909 CD2 LEU A 91 11.257 -11.049 -2.607 1.00 1.35 C ATOM 0 H LEU A 91 7.383 -10.996 -2.718 1.00 0.66 H new ATOM 0 HA LEU A 91 9.369 -12.231 -4.383 1.00 0.78 H new ATOM 0 HB2 LEU A 91 8.488 -12.806 -1.523 1.00 0.90 H new ATOM 0 HB3 LEU A 91 9.948 -13.416 -2.277 1.00 0.90 H new ATOM 0 HG LEU A 91 9.375 -10.488 -1.748 1.00 0.98 H new ATOM 0 HD11 LEU A 91 11.080 -10.773 0.069 1.00 1.05 H new ATOM 0 HD12 LEU A 91 9.669 -11.824 0.340 1.00 1.05 H new ATOM 0 HD13 LEU A 91 11.178 -12.508 -0.311 1.00 1.05 H new ATOM 0 HD21 LEU A 91 11.785 -10.181 -2.212 1.00 1.35 H new ATOM 0 HD22 LEU A 91 11.925 -11.910 -2.611 1.00 1.35 H new ATOM 0 HD23 LEU A 91 10.928 -10.841 -3.625 1.00 1.35 H new ATOM 921 N ASP A 92 6.614 -13.882 -3.738 1.00 0.74 N ATOM 922 CA ASP A 92 5.832 -15.104 -3.989 1.00 0.80 C ATOM 923 C ASP A 92 5.662 -15.377 -5.491 1.00 0.75 C ATOM 924 O ASP A 92 5.930 -16.474 -5.981 1.00 0.87 O ATOM 925 CB ASP A 92 4.475 -14.931 -3.306 1.00 0.92 C ATOM 926 CG ASP A 92 3.604 -16.187 -3.202 1.00 1.21 C ATOM 927 OD1 ASP A 92 4.039 -17.308 -3.555 1.00 1.52 O ATOM 928 OD2 ASP A 92 2.449 -16.051 -2.733 1.00 2.66 O ATOM 0 H ASP A 92 6.059 -13.125 -3.338 1.00 0.74 H new ATOM 0 HA ASP A 92 6.359 -15.967 -3.582 1.00 0.80 H new ATOM 0 HB2 ASP A 92 4.645 -14.548 -2.300 1.00 0.92 H new ATOM 0 HB3 ASP A 92 3.914 -14.169 -3.847 1.00 0.92 H new ATOM 933 N ASP A 93 5.270 -14.342 -6.235 1.00 0.66 N ATOM 934 CA ASP A 93 4.943 -14.413 -7.651 1.00 0.69 C ATOM 935 C ASP A 93 5.795 -13.437 -8.494 1.00 0.66 C ATOM 936 O ASP A 93 5.614 -12.214 -8.387 1.00 0.56 O ATOM 937 CB ASP A 93 3.456 -14.077 -7.795 1.00 0.78 C ATOM 938 CG ASP A 93 2.504 -15.150 -7.263 1.00 1.05 C ATOM 939 OD1 ASP A 93 2.731 -16.358 -7.504 1.00 1.83 O ATOM 940 OD2 ASP A 93 1.477 -14.787 -6.647 1.00 1.85 O ATOM 0 H ASP A 93 5.170 -13.402 -5.851 1.00 0.66 H new ATOM 0 HA ASP A 93 5.160 -15.414 -8.023 1.00 0.69 H new ATOM 0 HB2 ASP A 93 3.256 -13.142 -7.272 1.00 0.78 H new ATOM 0 HB3 ASP A 93 3.236 -13.906 -8.849 1.00 0.78 H new ATOM 945 N PRO A 94 6.651 -13.924 -9.417 1.00 0.76 N ATOM 946 CA PRO A 94 7.405 -13.043 -10.310 1.00 0.76 C ATOM 947 C PRO A 94 6.476 -12.301 -11.284 1.00 0.71 C ATOM 948 O PRO A 94 6.784 -11.207 -11.741 1.00 0.67 O ATOM 949 CB PRO A 94 8.389 -13.961 -11.026 1.00 0.95 C ATOM 950 CG PRO A 94 7.646 -15.293 -11.105 1.00 1.01 C ATOM 951 CD PRO A 94 6.904 -15.319 -9.765 1.00 0.90 C ATOM 0 HA PRO A 94 7.925 -12.252 -9.769 1.00 0.76 H new ATOM 0 HB2 PRO A 94 8.641 -13.583 -12.017 1.00 0.95 H new ATOM 0 HB3 PRO A 94 9.324 -14.056 -10.473 1.00 0.95 H new ATOM 0 HG2 PRO A 94 6.961 -15.329 -11.952 1.00 1.01 H new ATOM 0 HG3 PRO A 94 8.329 -16.136 -11.211 1.00 1.01 H new ATOM 0 HD2 PRO A 94 5.971 -15.876 -9.847 1.00 0.90 H new ATOM 0 HD3 PRO A 94 7.502 -15.810 -8.997 1.00 0.90 H new ATOM 959 N GLU A 95 5.285 -12.848 -11.535 1.00 0.76 N ATOM 960 CA GLU A 95 4.194 -12.220 -12.253 1.00 0.78 C ATOM 961 C GLU A 95 3.687 -10.937 -11.571 1.00 0.66 C ATOM 962 O GLU A 95 3.464 -9.922 -12.240 1.00 0.69 O ATOM 963 CB GLU A 95 3.075 -13.246 -12.328 1.00 0.92 C ATOM 964 CG GLU A 95 3.475 -14.615 -12.899 1.00 1.18 C ATOM 965 CD GLU A 95 4.137 -14.601 -14.286 1.00 1.79 C ATOM 966 OE1 GLU A 95 3.865 -13.695 -15.110 1.00 2.48 O ATOM 967 OE2 GLU A 95 4.876 -15.564 -14.601 1.00 3.01 O ATOM 0 H GLU A 95 5.052 -13.791 -11.223 1.00 0.76 H new ATOM 0 HA GLU A 95 4.541 -11.915 -13.240 1.00 0.78 H new ATOM 0 HB2 GLU A 95 2.672 -13.393 -11.326 1.00 0.92 H new ATOM 0 HB3 GLU A 95 2.270 -12.837 -12.939 1.00 0.92 H new ATOM 0 HG2 GLU A 95 4.158 -15.093 -12.197 1.00 1.18 H new ATOM 0 HG3 GLU A 95 2.583 -15.239 -12.951 1.00 1.18 H new ATOM 974 N LEU A 96 3.549 -10.964 -10.235 1.00 0.57 N ATOM 975 CA LEU A 96 3.243 -9.774 -9.429 1.00 0.47 C ATOM 976 C LEU A 96 4.431 -8.802 -9.473 1.00 0.39 C ATOM 977 O LEU A 96 4.240 -7.605 -9.682 1.00 0.40 O ATOM 978 CB LEU A 96 2.943 -10.113 -7.947 1.00 0.48 C ATOM 979 CG LEU A 96 1.621 -10.821 -7.596 1.00 0.57 C ATOM 980 CD1 LEU A 96 1.570 -11.078 -6.083 1.00 0.62 C ATOM 981 CD2 LEU A 96 0.391 -9.981 -7.942 1.00 0.71 C ATOM 0 H LEU A 96 3.647 -11.816 -9.683 1.00 0.57 H new ATOM 0 HA LEU A 96 2.348 -9.325 -9.860 1.00 0.47 H new ATOM 0 HB2 LEU A 96 3.758 -10.737 -7.581 1.00 0.48 H new ATOM 0 HB3 LEU A 96 2.977 -9.181 -7.383 1.00 0.48 H new ATOM 0 HG LEU A 96 1.598 -11.743 -8.178 1.00 0.57 H new ATOM 0 HD11 LEU A 96 0.636 -11.579 -5.830 1.00 0.62 H new ATOM 0 HD12 LEU A 96 2.410 -11.709 -5.793 1.00 0.62 H new ATOM 0 HD13 LEU A 96 1.628 -10.129 -5.551 1.00 0.62 H new ATOM 0 HD21 LEU A 96 -0.512 -10.530 -7.673 1.00 0.71 H new ATOM 0 HD22 LEU A 96 0.424 -9.043 -7.388 1.00 0.71 H new ATOM 0 HD23 LEU A 96 0.383 -9.771 -9.012 1.00 0.71 H new ATOM 993 N ARG A 97 5.653 -9.331 -9.305 1.00 0.41 N ATOM 994 CA ARG A 97 6.920 -8.574 -9.282 1.00 0.42 C ATOM 995 C ARG A 97 7.113 -7.732 -10.546 1.00 0.43 C ATOM 996 O ARG A 97 7.204 -6.504 -10.474 1.00 0.43 O ATOM 997 CB ARG A 97 8.057 -9.592 -9.066 1.00 0.50 C ATOM 998 CG ARG A 97 9.340 -9.016 -8.464 1.00 0.65 C ATOM 999 CD ARG A 97 10.310 -10.161 -8.129 1.00 0.83 C ATOM 1000 NE ARG A 97 11.022 -10.693 -9.304 1.00 1.61 N ATOM 1001 CZ ARG A 97 11.393 -11.945 -9.500 1.00 2.17 C ATOM 1002 NH1 ARG A 97 11.015 -12.952 -8.774 1.00 1.97 N ATOM 1003 NH2 ARG A 97 12.198 -12.236 -10.469 1.00 3.32 N ATOM 0 H ARG A 97 5.794 -10.333 -9.177 1.00 0.41 H new ATOM 0 HA ARG A 97 6.914 -7.850 -8.467 1.00 0.42 H new ATOM 0 HB2 ARG A 97 7.693 -10.386 -8.414 1.00 0.50 H new ATOM 0 HB3 ARG A 97 8.299 -10.052 -10.024 1.00 0.50 H new ATOM 0 HG2 ARG A 97 9.806 -8.325 -9.167 1.00 0.65 H new ATOM 0 HG3 ARG A 97 9.108 -8.447 -7.564 1.00 0.65 H new ATOM 0 HD2 ARG A 97 11.040 -9.806 -7.402 1.00 0.83 H new ATOM 0 HD3 ARG A 97 9.754 -10.970 -7.654 1.00 0.83 H new ATOM 0 HE ARG A 97 11.252 -10.026 -10.041 1.00 1.61 H new ATOM 0 HH11 ARG A 97 10.385 -12.804 -7.985 1.00 1.97 H new ATOM 0 HH12 ARG A 97 11.348 -13.891 -8.992 1.00 1.97 H new ATOM 0 HH21 ARG A 97 12.546 -11.499 -11.082 1.00 3.32 H new ATOM 0 HH22 ARG A 97 12.485 -13.203 -10.621 1.00 3.32 H new ATOM 1017 N GLN A 98 7.068 -8.379 -11.706 1.00 0.50 N ATOM 1018 CA GLN A 98 7.158 -7.719 -13.005 1.00 0.57 C ATOM 1019 C GLN A 98 5.936 -6.855 -13.281 1.00 0.61 C ATOM 1020 O GLN A 98 6.074 -5.718 -13.734 1.00 0.67 O ATOM 1021 CB GLN A 98 7.319 -8.790 -14.093 1.00 0.68 C ATOM 1022 CG GLN A 98 7.849 -8.211 -15.412 1.00 0.99 C ATOM 1023 CD GLN A 98 7.941 -9.274 -16.499 1.00 1.81 C ATOM 1024 OE1 GLN A 98 8.959 -9.940 -16.664 1.00 2.43 O ATOM 1025 NE2 GLN A 98 6.876 -9.499 -17.237 1.00 2.44 N ATOM 0 H GLN A 98 6.966 -9.392 -11.772 1.00 0.50 H new ATOM 0 HA GLN A 98 8.023 -7.056 -13.005 1.00 0.57 H new ATOM 0 HB2 GLN A 98 8.001 -9.563 -13.739 1.00 0.68 H new ATOM 0 HB3 GLN A 98 6.357 -9.270 -14.271 1.00 0.68 H new ATOM 0 HG2 GLN A 98 7.194 -7.406 -15.745 1.00 0.99 H new ATOM 0 HG3 GLN A 98 8.834 -7.773 -15.247 1.00 0.99 H new ATOM 0 HE21 GLN A 98 6.032 -8.944 -17.097 1.00 2.44 H new ATOM 0 HE22 GLN A 98 6.894 -10.229 -17.949 1.00 2.44 H new ATOM 1034 N GLY A 99 4.749 -7.364 -12.940 1.00 0.60 N ATOM 1035 CA GLY A 99 3.503 -6.606 -13.032 1.00 0.62 C ATOM 1036 C GLY A 99 3.601 -5.215 -12.394 1.00 0.56 C ATOM 1037 O GLY A 99 3.218 -4.230 -13.031 1.00 0.67 O ATOM 0 H GLY A 99 4.627 -8.315 -12.592 1.00 0.60 H new ATOM 0 HA2 GLY A 99 3.225 -6.500 -14.081 1.00 0.62 H new ATOM 0 HA3 GLY A 99 2.705 -7.168 -12.546 1.00 0.62 H new ATOM 1041 N ILE A 100 4.165 -5.113 -11.183 1.00 0.47 N ATOM 1042 CA ILE A 100 4.211 -3.863 -10.423 1.00 0.52 C ATOM 1043 C ILE A 100 5.423 -2.992 -10.757 1.00 0.58 C ATOM 1044 O ILE A 100 5.272 -1.771 -10.854 1.00 0.73 O ATOM 1045 CB ILE A 100 4.042 -4.143 -8.934 1.00 0.48 C ATOM 1046 CG1 ILE A 100 3.552 -2.909 -8.168 1.00 0.56 C ATOM 1047 CG2 ILE A 100 5.302 -4.676 -8.235 1.00 0.50 C ATOM 1048 CD1 ILE A 100 2.394 -2.084 -8.743 1.00 0.91 C ATOM 0 H ILE A 100 4.603 -5.900 -10.704 1.00 0.47 H new ATOM 0 HA ILE A 100 3.363 -3.253 -10.735 1.00 0.52 H new ATOM 0 HB ILE A 100 3.290 -4.932 -8.907 1.00 0.48 H new ATOM 0 HG12 ILE A 100 3.258 -3.237 -7.171 1.00 0.56 H new ATOM 0 HG13 ILE A 100 4.403 -2.239 -8.045 1.00 0.56 H new ATOM 0 HG21 ILE A 100 5.088 -4.846 -7.180 1.00 0.50 H new ATOM 0 HG22 ILE A 100 5.607 -5.614 -8.699 1.00 0.50 H new ATOM 0 HG23 ILE A 100 6.106 -3.947 -8.329 1.00 0.50 H new ATOM 0 HD11 ILE A 100 2.176 -1.249 -8.077 1.00 0.91 H new ATOM 0 HD12 ILE A 100 2.672 -1.701 -9.725 1.00 0.91 H new ATOM 0 HD13 ILE A 100 1.510 -2.714 -8.837 1.00 0.91 H new ATOM 1060 N LYS A 101 6.597 -3.595 -11.020 1.00 0.52 N ATOM 1061 CA LYS A 101 7.758 -2.845 -11.534 1.00 0.59 C ATOM 1062 C LYS A 101 7.429 -2.150 -12.856 1.00 0.72 C ATOM 1063 O LYS A 101 7.877 -1.027 -13.096 1.00 0.84 O ATOM 1064 CB LYS A 101 8.971 -3.767 -11.730 1.00 0.58 C ATOM 1065 CG LYS A 101 9.640 -4.228 -10.424 1.00 0.58 C ATOM 1066 CD LYS A 101 10.763 -5.205 -10.786 1.00 0.66 C ATOM 1067 CE LYS A 101 11.435 -5.841 -9.569 1.00 2.03 C ATOM 1068 NZ LYS A 101 12.319 -6.952 -9.986 1.00 2.20 N ATOM 0 H LYS A 101 6.766 -4.592 -10.886 1.00 0.52 H new ATOM 0 HA LYS A 101 8.004 -2.088 -10.790 1.00 0.59 H new ATOM 0 HB2 LYS A 101 8.656 -4.646 -12.292 1.00 0.58 H new ATOM 0 HB3 LYS A 101 9.711 -3.248 -12.339 1.00 0.58 H new ATOM 0 HG2 LYS A 101 10.040 -3.373 -9.878 1.00 0.58 H new ATOM 0 HG3 LYS A 101 8.911 -4.710 -9.772 1.00 0.58 H new ATOM 0 HD2 LYS A 101 10.357 -5.993 -11.420 1.00 0.66 H new ATOM 0 HD3 LYS A 101 11.516 -4.679 -11.373 1.00 0.66 H new ATOM 0 HE2 LYS A 101 12.014 -5.090 -9.032 1.00 2.03 H new ATOM 0 HE3 LYS A 101 10.676 -6.211 -8.880 1.00 2.03 H new ATOM 0 HZ1 LYS A 101 12.767 -7.373 -9.147 1.00 2.20 H new ATOM 0 HZ2 LYS A 101 11.758 -7.676 -10.478 1.00 2.20 H new ATOM 0 HZ3 LYS A 101 13.054 -6.589 -10.626 1.00 2.20 H new ATOM 1082 N ASP A 102 6.612 -2.777 -13.701 1.00 0.76 N ATOM 1083 CA ASP A 102 6.123 -2.176 -14.939 1.00 0.98 C ATOM 1084 C ASP A 102 5.027 -1.119 -14.676 1.00 1.03 C ATOM 1085 O ASP A 102 5.202 0.045 -15.040 1.00 1.19 O ATOM 1086 CB ASP A 102 5.680 -3.295 -15.892 1.00 1.09 C ATOM 1087 CG ASP A 102 5.611 -2.795 -17.328 1.00 1.44 C ATOM 1088 OD1 ASP A 102 4.681 -2.019 -17.654 1.00 1.49 O ATOM 1089 OD2 ASP A 102 6.522 -3.118 -18.122 1.00 2.63 O ATOM 0 H ASP A 102 6.268 -3.724 -13.543 1.00 0.76 H new ATOM 0 HA ASP A 102 6.928 -1.622 -15.421 1.00 0.98 H new ATOM 0 HB2 ASP A 102 6.378 -4.130 -15.827 1.00 1.09 H new ATOM 0 HB3 ASP A 102 4.704 -3.671 -15.587 1.00 1.09 H new ATOM 1094 N TYR A 103 3.942 -1.466 -13.968 1.00 0.93 N ATOM 1095 CA TYR A 103 2.780 -0.596 -13.721 1.00 0.99 C ATOM 1096 C TYR A 103 3.102 0.699 -12.957 1.00 1.11 C ATOM 1097 O TYR A 103 2.492 1.740 -13.215 1.00 1.25 O ATOM 1098 CB TYR A 103 1.771 -1.444 -12.948 1.00 0.84 C ATOM 1099 CG TYR A 103 0.482 -0.770 -12.536 1.00 0.63 C ATOM 1100 CD1 TYR A 103 0.387 -0.157 -11.277 1.00 1.88 C ATOM 1101 CD2 TYR A 103 -0.651 -0.872 -13.360 1.00 2.01 C ATOM 1102 CE1 TYR A 103 -0.865 0.298 -10.814 1.00 2.05 C ATOM 1103 CE2 TYR A 103 -1.907 -0.429 -12.898 1.00 1.86 C ATOM 1104 CZ TYR A 103 -2.018 0.158 -11.619 1.00 0.67 C ATOM 1105 OH TYR A 103 -3.225 0.580 -11.152 1.00 0.89 O ATOM 0 H TYR A 103 3.845 -2.386 -13.539 1.00 0.93 H new ATOM 0 HA TYR A 103 2.392 -0.248 -14.678 1.00 0.99 H new ATOM 0 HB2 TYR A 103 1.520 -2.312 -13.558 1.00 0.84 H new ATOM 0 HB3 TYR A 103 2.261 -1.818 -12.049 1.00 0.84 H new ATOM 0 HD1 TYR A 103 1.269 -0.034 -10.666 1.00 1.88 H new ATOM 0 HD2 TYR A 103 -0.560 -1.291 -14.351 1.00 2.01 H new ATOM 0 HE1 TYR A 103 -0.943 0.756 -9.839 1.00 2.05 H new ATOM 0 HE2 TYR A 103 -2.782 -0.538 -13.521 1.00 1.86 H new ATOM 0 HH TYR A 103 -3.914 0.413 -11.828 1.00 0.89 H new ATOM 1115 N SER A 104 4.092 0.662 -12.062 1.00 1.11 N ATOM 1116 CA SER A 104 4.612 1.838 -11.344 1.00 1.27 C ATOM 1117 C SER A 104 5.920 2.391 -11.917 1.00 1.34 C ATOM 1118 O SER A 104 6.456 3.356 -11.372 1.00 1.47 O ATOM 1119 CB SER A 104 4.756 1.513 -9.857 1.00 1.22 C ATOM 1120 OG SER A 104 3.459 1.345 -9.321 1.00 2.13 O ATOM 0 H SER A 104 4.568 -0.204 -11.808 1.00 1.11 H new ATOM 0 HA SER A 104 3.882 2.636 -11.480 1.00 1.27 H new ATOM 0 HB2 SER A 104 5.346 0.607 -9.720 1.00 1.22 H new ATOM 0 HB3 SER A 104 5.281 2.316 -9.340 1.00 1.22 H new ATOM 0 HG SER A 104 3.526 1.030 -8.395 1.00 2.13 H new ATOM 1126 N ASN A 105 6.424 1.798 -13.004 1.00 1.30 N ATOM 1127 CA ASN A 105 7.667 2.177 -13.694 1.00 1.39 C ATOM 1128 C ASN A 105 8.907 2.277 -12.765 1.00 1.25 C ATOM 1129 O ASN A 105 9.760 3.151 -12.943 1.00 1.17 O ATOM 1130 CB ASN A 105 7.399 3.438 -14.544 1.00 1.69 C ATOM 1131 CG ASN A 105 8.247 3.502 -15.794 1.00 1.86 C ATOM 1132 OD1 ASN A 105 7.832 3.118 -16.880 1.00 2.10 O ATOM 1133 ND2 ASN A 105 9.470 3.939 -15.684 1.00 1.88 N ATOM 0 H ASN A 105 5.959 1.006 -13.448 1.00 1.30 H new ATOM 0 HA ASN A 105 7.952 1.367 -14.365 1.00 1.39 H new ATOM 0 HB2 ASN A 105 6.346 3.463 -14.825 1.00 1.69 H new ATOM 0 HB3 ASN A 105 7.588 4.324 -13.938 1.00 1.69 H new ATOM 0 HD21 ASN A 105 10.079 3.961 -16.502 1.00 1.88 H new ATOM 0 HD22 ASN A 105 9.818 4.259 -14.780 1.00 1.88 H new ATOM 1140 N TRP A 106 8.999 1.414 -11.746 1.00 1.28 N ATOM 1141 CA TRP A 106 9.933 1.512 -10.614 1.00 1.04 C ATOM 1142 C TRP A 106 10.701 0.197 -10.399 1.00 0.94 C ATOM 1143 O TRP A 106 10.106 -0.866 -10.564 1.00 1.23 O ATOM 1144 CB TRP A 106 9.148 1.892 -9.343 1.00 1.25 C ATOM 1145 CG TRP A 106 9.631 3.121 -8.641 1.00 1.27 C ATOM 1146 CD1 TRP A 106 10.200 3.164 -7.415 1.00 1.43 C ATOM 1147 CD2 TRP A 106 9.590 4.507 -9.106 1.00 1.34 C ATOM 1148 NE1 TRP A 106 10.492 4.469 -7.085 1.00 1.64 N ATOM 1149 CE2 TRP A 106 10.152 5.340 -8.092 1.00 1.53 C ATOM 1150 CE3 TRP A 106 9.145 5.149 -10.283 1.00 1.40 C ATOM 1151 CZ2 TRP A 106 10.266 6.729 -8.232 1.00 1.69 C ATOM 1152 CZ3 TRP A 106 9.262 6.544 -10.437 1.00 1.52 C ATOM 1153 CH2 TRP A 106 9.817 7.335 -9.415 1.00 1.63 C ATOM 0 H TRP A 106 8.399 0.592 -11.684 1.00 1.28 H new ATOM 0 HA TRP A 106 10.670 2.284 -10.837 1.00 1.04 H new ATOM 0 HB2 TRP A 106 8.101 2.033 -9.611 1.00 1.25 H new ATOM 0 HB3 TRP A 106 9.189 1.055 -8.646 1.00 1.25 H new ATOM 0 HD1 TRP A 106 10.396 2.306 -6.790 1.00 1.43 H new ATOM 0 HE1 TRP A 106 10.910 4.755 -6.200 1.00 1.64 H new ATOM 0 HE3 TRP A 106 8.708 4.561 -11.077 1.00 1.40 H new ATOM 0 HZ2 TRP A 106 10.694 7.326 -7.440 1.00 1.69 H new ATOM 0 HZ3 TRP A 106 8.922 7.011 -11.349 1.00 1.52 H new ATOM 0 HH2 TRP A 106 9.897 8.405 -9.540 1.00 1.63 H new ATOM 1164 N PRO A 107 11.978 0.223 -9.978 1.00 0.71 N ATOM 1165 CA PRO A 107 12.768 -0.995 -9.770 1.00 0.75 C ATOM 1166 C PRO A 107 12.392 -1.779 -8.499 1.00 0.73 C ATOM 1167 O PRO A 107 12.508 -3.001 -8.476 1.00 0.84 O ATOM 1168 CB PRO A 107 14.221 -0.508 -9.719 1.00 0.82 C ATOM 1169 CG PRO A 107 14.096 0.918 -9.177 1.00 1.07 C ATOM 1170 CD PRO A 107 12.802 1.411 -9.805 1.00 0.74 C ATOM 0 HA PRO A 107 12.584 -1.710 -10.572 1.00 0.75 H new ATOM 0 HB2 PRO A 107 14.832 -1.133 -9.068 1.00 0.82 H new ATOM 0 HB3 PRO A 107 14.685 -0.524 -10.705 1.00 0.82 H new ATOM 0 HG2 PRO A 107 14.047 0.933 -8.088 1.00 1.07 H new ATOM 0 HG3 PRO A 107 14.946 1.536 -9.467 1.00 1.07 H new ATOM 0 HD2 PRO A 107 12.308 2.142 -9.164 1.00 0.74 H new ATOM 0 HD3 PRO A 107 12.991 1.901 -10.760 1.00 0.74 H new ATOM 1178 N THR A 108 11.961 -1.100 -7.430 1.00 0.76 N ATOM 1179 CA THR A 108 11.525 -1.682 -6.139 1.00 0.97 C ATOM 1180 C THR A 108 10.896 -0.589 -5.269 1.00 1.00 C ATOM 1181 O THR A 108 11.387 0.543 -5.261 1.00 1.81 O ATOM 1182 CB THR A 108 12.704 -2.348 -5.393 1.00 1.28 C ATOM 1183 OG1 THR A 108 12.854 -3.657 -5.898 1.00 2.54 O ATOM 1184 CG2 THR A 108 12.522 -2.528 -3.885 1.00 1.96 C ATOM 0 H THR A 108 11.901 -0.082 -7.433 1.00 0.76 H new ATOM 0 HA THR A 108 10.785 -2.455 -6.344 1.00 0.97 H new ATOM 0 HB THR A 108 13.549 -1.678 -5.552 1.00 1.28 H new ATOM 0 HG1 THR A 108 12.617 -3.670 -6.849 1.00 2.54 H new ATOM 0 HG21 THR A 108 13.408 -3.004 -3.466 1.00 1.96 H new ATOM 0 HG22 THR A 108 12.378 -1.554 -3.417 1.00 1.96 H new ATOM 0 HG23 THR A 108 11.650 -3.154 -3.696 1.00 1.96 H new ATOM 1192 N ILE A 109 9.795 -0.913 -4.580 1.00 1.01 N ATOM 1193 CA ILE A 109 9.091 -0.044 -3.615 1.00 0.90 C ATOM 1194 C ILE A 109 8.576 -0.864 -2.406 1.00 1.05 C ATOM 1195 O ILE A 109 8.603 -2.097 -2.469 1.00 2.29 O ATOM 1196 CB ILE A 109 7.947 0.769 -4.269 1.00 1.87 C ATOM 1197 CG1 ILE A 109 7.841 0.762 -5.808 1.00 3.46 C ATOM 1198 CG2 ILE A 109 8.098 2.228 -3.810 1.00 1.41 C ATOM 1199 CD1 ILE A 109 7.119 -0.470 -6.368 1.00 5.75 C ATOM 0 H ILE A 109 9.348 -1.824 -4.680 1.00 1.01 H new ATOM 0 HA ILE A 109 9.819 0.682 -3.254 1.00 0.90 H new ATOM 0 HB ILE A 109 7.035 0.271 -3.941 1.00 1.87 H new ATOM 0 HG12 ILE A 109 7.314 1.660 -6.132 1.00 3.46 H new ATOM 0 HG13 ILE A 109 8.844 0.810 -6.233 1.00 3.46 H new ATOM 0 HG21 ILE A 109 7.306 2.832 -4.253 1.00 1.41 H new ATOM 0 HG22 ILE A 109 8.027 2.277 -2.723 1.00 1.41 H new ATOM 0 HG23 ILE A 109 9.068 2.611 -4.128 1.00 1.41 H new ATOM 0 HD11 ILE A 109 7.082 -0.407 -7.456 1.00 5.75 H new ATOM 0 HD12 ILE A 109 7.657 -1.372 -6.075 1.00 5.75 H new ATOM 0 HD13 ILE A 109 6.104 -0.508 -5.972 1.00 5.75 H new ATOM 1211 N PRO A 110 8.007 -0.245 -1.349 1.00 0.60 N ATOM 1212 CA PRO A 110 6.585 -0.545 -1.095 1.00 0.63 C ATOM 1213 C PRO A 110 5.610 0.500 -1.621 1.00 0.48 C ATOM 1214 O PRO A 110 5.935 1.681 -1.585 1.00 0.63 O ATOM 1215 CB PRO A 110 6.364 -0.696 0.407 1.00 1.17 C ATOM 1216 CG PRO A 110 7.753 -0.941 0.940 1.00 0.71 C ATOM 1217 CD PRO A 110 8.688 -0.255 -0.053 1.00 0.71 C ATOM 0 HA PRO A 110 6.377 -1.466 -1.639 1.00 0.63 H new ATOM 0 HB2 PRO A 110 5.919 0.200 0.840 1.00 1.17 H new ATOM 0 HB3 PRO A 110 5.694 -1.526 0.634 1.00 1.17 H new ATOM 0 HG2 PRO A 110 7.869 -0.527 1.942 1.00 0.71 H new ATOM 0 HG3 PRO A 110 7.966 -2.008 1.009 1.00 0.71 H new ATOM 0 HD2 PRO A 110 8.915 0.761 0.271 1.00 0.71 H new ATOM 0 HD3 PRO A 110 9.636 -0.788 -0.120 1.00 0.71 H new ATOM 1225 N GLN A 111 4.391 0.102 -1.994 1.00 0.46 N ATOM 1226 CA GLN A 111 3.285 1.021 -2.289 1.00 0.47 C ATOM 1227 C GLN A 111 2.009 0.594 -1.555 1.00 0.36 C ATOM 1228 O GLN A 111 1.885 -0.544 -1.093 1.00 0.35 O ATOM 1229 CB GLN A 111 3.055 1.099 -3.812 1.00 0.68 C ATOM 1230 CG GLN A 111 4.146 1.922 -4.514 1.00 1.22 C ATOM 1231 CD GLN A 111 3.991 1.996 -6.026 1.00 1.92 C ATOM 1232 OE1 GLN A 111 3.281 1.227 -6.663 1.00 2.41 O ATOM 1233 NE2 GLN A 111 4.655 2.928 -6.672 1.00 2.89 N ATOM 0 H GLN A 111 4.140 -0.881 -2.101 1.00 0.46 H new ATOM 0 HA GLN A 111 3.551 2.016 -1.931 1.00 0.47 H new ATOM 0 HB2 GLN A 111 3.035 0.092 -4.228 1.00 0.68 H new ATOM 0 HB3 GLN A 111 2.080 1.545 -4.010 1.00 0.68 H new ATOM 0 HG2 GLN A 111 4.140 2.934 -4.109 1.00 1.22 H new ATOM 0 HG3 GLN A 111 5.119 1.490 -4.280 1.00 1.22 H new ATOM 0 HE21 GLN A 111 5.251 3.578 -6.159 1.00 2.89 H new ATOM 0 HE22 GLN A 111 4.574 3.002 -7.686 1.00 2.89 H new ATOM 1242 N VAL A 112 1.030 1.495 -1.475 1.00 0.33 N ATOM 1243 CA VAL A 112 -0.363 1.147 -1.191 1.00 0.32 C ATOM 1244 C VAL A 112 -1.230 1.679 -2.333 1.00 0.47 C ATOM 1245 O VAL A 112 -0.775 2.530 -3.095 1.00 0.91 O ATOM 1246 CB VAL A 112 -0.747 1.562 0.245 1.00 0.35 C ATOM 1247 CG1 VAL A 112 -0.631 3.057 0.557 1.00 0.40 C ATOM 1248 CG2 VAL A 112 -2.133 1.064 0.662 1.00 0.37 C ATOM 0 H VAL A 112 1.182 2.495 -1.606 1.00 0.33 H new ATOM 0 HA VAL A 112 -0.534 0.071 -1.178 1.00 0.32 H new ATOM 0 HB VAL A 112 0.015 1.061 0.841 1.00 0.35 H new ATOM 0 HG11 VAL A 112 -0.925 3.237 1.591 1.00 0.40 H new ATOM 0 HG12 VAL A 112 0.400 3.380 0.411 1.00 0.40 H new ATOM 0 HG13 VAL A 112 -1.286 3.619 -0.109 1.00 0.40 H new ATOM 0 HG21 VAL A 112 -2.345 1.388 1.681 1.00 0.37 H new ATOM 0 HG22 VAL A 112 -2.885 1.474 -0.013 1.00 0.37 H new ATOM 0 HG23 VAL A 112 -2.158 -0.025 0.615 1.00 0.37 H new ATOM 1258 N TYR A 113 -2.405 1.100 -2.552 1.00 0.32 N ATOM 1259 CA TYR A 113 -3.490 1.703 -3.341 1.00 0.29 C ATOM 1260 C TYR A 113 -4.764 1.784 -2.503 1.00 0.27 C ATOM 1261 O TYR A 113 -5.085 0.840 -1.774 1.00 0.29 O ATOM 1262 CB TYR A 113 -3.719 0.911 -4.642 1.00 0.33 C ATOM 1263 CG TYR A 113 -2.545 1.027 -5.585 1.00 0.41 C ATOM 1264 CD1 TYR A 113 -1.352 0.349 -5.281 1.00 1.22 C ATOM 1265 CD2 TYR A 113 -2.614 1.860 -6.716 1.00 1.65 C ATOM 1266 CE1 TYR A 113 -0.185 0.615 -6.006 1.00 1.19 C ATOM 1267 CE2 TYR A 113 -1.461 2.075 -7.490 1.00 1.77 C ATOM 1268 CZ TYR A 113 -0.234 1.498 -7.107 1.00 0.73 C ATOM 1269 OH TYR A 113 0.893 1.819 -7.790 1.00 1.02 O ATOM 0 H TYR A 113 -2.642 0.180 -2.182 1.00 0.32 H new ATOM 0 HA TYR A 113 -3.204 2.717 -3.621 1.00 0.29 H new ATOM 0 HB2 TYR A 113 -3.890 -0.139 -4.403 1.00 0.33 H new ATOM 0 HB3 TYR A 113 -4.619 1.277 -5.136 1.00 0.33 H new ATOM 0 HD1 TYR A 113 -1.336 -0.380 -4.485 1.00 1.22 H new ATOM 0 HD2 TYR A 113 -3.547 2.331 -6.988 1.00 1.65 H new ATOM 0 HE1 TYR A 113 0.747 0.148 -5.725 1.00 1.19 H new ATOM 0 HE2 TYR A 113 -1.516 2.684 -8.380 1.00 1.77 H new ATOM 0 HH TYR A 113 1.666 1.393 -7.364 1.00 1.02 H new ATOM 1279 N LEU A 114 -5.484 2.908 -2.611 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.774 3.109 -1.950 1.00 0.33 C ATOM 1281 C LEU A 114 -7.911 3.156 -2.961 1.00 0.36 C ATOM 1282 O LEU A 114 -7.878 3.964 -3.885 1.00 0.43 O ATOM 1283 CB LEU A 114 -6.803 4.344 -1.039 1.00 0.43 C ATOM 1284 CG LEU A 114 -6.520 4.007 0.435 1.00 0.45 C ATOM 1285 CD1 LEU A 114 -5.113 3.485 0.659 1.00 0.46 C ATOM 1286 CD2 LEU A 114 -6.802 5.243 1.286 1.00 0.60 C ATOM 0 H LEU A 114 -5.182 3.709 -3.165 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.917 2.244 -1.303 1.00 0.33 H new ATOM 0 HB2 LEU A 114 -6.065 5.065 -1.390 1.00 0.43 H new ATOM 0 HB3 LEU A 114 -7.779 4.823 -1.116 1.00 0.43 H new ATOM 0 HG LEU A 114 -7.182 3.195 0.735 1.00 0.45 H new ATOM 0 HD11 LEU A 114 -4.971 3.264 1.717 1.00 0.46 H new ATOM 0 HD12 LEU A 114 -4.965 2.576 0.076 1.00 0.46 H new ATOM 0 HD13 LEU A 114 -4.391 4.239 0.346 1.00 0.46 H new ATOM 0 HD21 LEU A 114 -6.605 5.016 2.334 1.00 0.60 H new ATOM 0 HD22 LEU A 114 -6.157 6.061 0.964 1.00 0.60 H new ATOM 0 HD23 LEU A 114 -7.845 5.535 1.168 1.00 0.60 H new ATOM 1298 N ASN A 115 -8.929 2.313 -2.770 1.00 0.35 N ATOM 1299 CA ASN A 115 -10.075 2.221 -3.692 1.00 0.39 C ATOM 1300 C ASN A 115 -9.641 1.988 -5.169 1.00 0.39 C ATOM 1301 O ASN A 115 -10.235 2.516 -6.116 1.00 0.47 O ATOM 1302 CB ASN A 115 -10.960 3.437 -3.462 1.00 0.43 C ATOM 1303 CG ASN A 115 -12.392 3.236 -3.912 1.00 0.60 C ATOM 1304 OD1 ASN A 115 -12.801 2.211 -4.440 1.00 0.72 O ATOM 1305 ND2 ASN A 115 -13.227 4.201 -3.647 1.00 0.72 N ATOM 0 H ASN A 115 -8.987 1.675 -1.976 1.00 0.35 H new ATOM 0 HA ASN A 115 -10.668 1.332 -3.477 1.00 0.39 H new ATOM 0 HB2 ASN A 115 -10.953 3.686 -2.401 1.00 0.43 H new ATOM 0 HB3 ASN A 115 -10.537 4.290 -3.993 1.00 0.43 H new ATOM 0 HD21 ASN A 115 -14.215 4.099 -3.880 1.00 0.72 H new ATOM 0 HD22 ASN A 115 -12.893 5.058 -3.207 1.00 0.72 H new ATOM 1312 N GLY A 116 -8.528 1.262 -5.337 1.00 0.36 N ATOM 1313 CA GLY A 116 -7.758 1.091 -6.568 1.00 0.36 C ATOM 1314 C GLY A 116 -6.855 2.236 -7.064 1.00 0.37 C ATOM 1315 O GLY A 116 -6.183 2.039 -8.071 1.00 0.54 O ATOM 0 H GLY A 116 -8.117 0.744 -4.560 1.00 0.36 H new ATOM 0 HA2 GLY A 116 -7.128 0.211 -6.439 1.00 0.36 H new ATOM 0 HA3 GLY A 116 -8.465 0.863 -7.366 1.00 0.36 H new ATOM 1319 N GLU A 117 -6.793 3.409 -6.427 1.00 0.40 N ATOM 1320 CA GLU A 117 -6.005 4.562 -6.891 1.00 0.43 C ATOM 1321 C GLU A 117 -4.698 4.746 -6.110 1.00 0.38 C ATOM 1322 O GLU A 117 -4.578 4.411 -4.930 1.00 0.33 O ATOM 1323 CB GLU A 117 -6.865 5.835 -6.873 1.00 0.53 C ATOM 1324 CG GLU A 117 -6.186 7.073 -7.449 1.00 0.68 C ATOM 1325 CD GLU A 117 -7.113 8.290 -7.566 1.00 0.90 C ATOM 1326 OE1 GLU A 117 -7.944 8.516 -6.662 1.00 2.04 O ATOM 1327 OE2 GLU A 117 -6.963 9.060 -8.548 1.00 1.87 O ATOM 0 H GLU A 117 -7.297 3.590 -5.559 1.00 0.40 H new ATOM 0 HA GLU A 117 -5.706 4.359 -7.919 1.00 0.43 H new ATOM 0 HB2 GLU A 117 -7.781 5.646 -7.433 1.00 0.53 H new ATOM 0 HB3 GLU A 117 -7.158 6.044 -5.844 1.00 0.53 H new ATOM 0 HG2 GLU A 117 -5.335 7.335 -6.820 1.00 0.68 H new ATOM 0 HG3 GLU A 117 -5.791 6.833 -8.436 1.00 0.68 H new ATOM 1334 N PHE A 118 -3.707 5.301 -6.802 1.00 0.45 N ATOM 1335 CA PHE A 118 -2.380 5.594 -6.287 1.00 0.48 C ATOM 1336 C PHE A 118 -2.319 6.824 -5.387 1.00 0.50 C ATOM 1337 O PHE A 118 -2.918 7.883 -5.585 1.00 0.62 O ATOM 1338 CB PHE A 118 -1.419 5.710 -7.473 1.00 0.63 C ATOM 1339 CG PHE A 118 0.070 5.810 -7.187 1.00 0.78 C ATOM 1340 CD1 PHE A 118 0.695 5.156 -6.102 1.00 1.85 C ATOM 1341 CD2 PHE A 118 0.856 6.534 -8.098 1.00 2.21 C ATOM 1342 CE1 PHE A 118 2.095 5.198 -5.967 1.00 1.91 C ATOM 1343 CE2 PHE A 118 2.251 6.603 -7.945 1.00 2.35 C ATOM 1344 CZ PHE A 118 2.873 5.928 -6.882 1.00 1.22 C ATOM 0 H PHE A 118 -3.816 5.569 -7.780 1.00 0.45 H new ATOM 0 HA PHE A 118 -2.084 4.772 -5.636 1.00 0.48 H new ATOM 0 HB2 PHE A 118 -1.577 4.843 -8.115 1.00 0.63 H new ATOM 0 HB3 PHE A 118 -1.707 6.589 -8.049 1.00 0.63 H new ATOM 0 HD1 PHE A 118 0.098 4.624 -5.376 1.00 1.85 H new ATOM 0 HD2 PHE A 118 0.383 7.043 -8.925 1.00 2.21 H new ATOM 0 HE1 PHE A 118 2.574 4.667 -5.157 1.00 1.91 H new ATOM 0 HE2 PHE A 118 2.844 7.174 -8.644 1.00 2.35 H new ATOM 0 HZ PHE A 118 3.946 5.970 -6.768 1.00 1.22 H new ATOM 1354 N VAL A 119 -1.527 6.600 -4.357 1.00 0.41 N ATOM 1355 CA VAL A 119 -1.514 7.259 -3.064 1.00 0.40 C ATOM 1356 C VAL A 119 -0.062 7.552 -2.701 1.00 0.62 C ATOM 1357 O VAL A 119 0.297 8.697 -2.441 1.00 0.86 O ATOM 1358 CB VAL A 119 -2.201 6.343 -2.033 1.00 0.76 C ATOM 1359 CG1 VAL A 119 -3.700 6.598 -1.928 1.00 1.45 C ATOM 1360 CG2 VAL A 119 -2.077 4.869 -2.295 1.00 2.48 C ATOM 0 H VAL A 119 -0.805 5.881 -4.409 1.00 0.41 H new ATOM 0 HA VAL A 119 -2.061 8.202 -3.082 1.00 0.40 H new ATOM 0 HB VAL A 119 -1.665 6.602 -1.120 1.00 0.76 H new ATOM 0 HG11 VAL A 119 -4.133 5.925 -1.187 1.00 1.45 H new ATOM 0 HG12 VAL A 119 -3.873 7.631 -1.625 1.00 1.45 H new ATOM 0 HG13 VAL A 119 -4.168 6.421 -2.896 1.00 1.45 H new ATOM 0 HG21 VAL A 119 -2.595 4.315 -1.512 1.00 2.48 H new ATOM 0 HG22 VAL A 119 -2.522 4.633 -3.261 1.00 2.48 H new ATOM 0 HG23 VAL A 119 -1.024 4.588 -2.302 1.00 2.48 H new ATOM 1370 N GLY A 120 0.796 6.537 -2.830 1.00 0.63 N ATOM 1371 CA GLY A 120 2.244 6.705 -2.937 1.00 0.72 C ATOM 1372 C GLY A 120 3.079 5.483 -2.551 1.00 0.50 C ATOM 1373 O GLY A 120 2.546 4.459 -2.112 1.00 0.48 O ATOM 0 H GLY A 120 0.498 5.562 -2.863 1.00 0.63 H new ATOM 0 HA2 GLY A 120 2.486 6.979 -3.964 1.00 0.72 H new ATOM 0 HA3 GLY A 120 2.543 7.542 -2.306 1.00 0.72 H new ATOM 1377 N GLY A 121 4.398 5.607 -2.728 1.00 0.50 N ATOM 1378 CA GLY A 121 5.392 4.684 -2.170 1.00 0.39 C ATOM 1379 C GLY A 121 5.685 4.937 -0.685 1.00 0.34 C ATOM 1380 O GLY A 121 5.256 5.956 -0.142 1.00 0.36 O ATOM 0 H GLY A 121 4.812 6.364 -3.272 1.00 0.50 H new ATOM 0 HA2 GLY A 121 5.038 3.661 -2.295 1.00 0.39 H new ATOM 0 HA3 GLY A 121 6.319 4.772 -2.737 1.00 0.39 H new ATOM 1384 N CYS A 122 6.427 4.050 -0.011 1.00 0.38 N ATOM 1385 CA CYS A 122 6.792 4.213 1.406 1.00 0.40 C ATOM 1386 C CYS A 122 7.437 5.585 1.725 1.00 0.46 C ATOM 1387 O CYS A 122 7.076 6.210 2.720 1.00 0.65 O ATOM 1388 CB CYS A 122 7.661 3.015 1.846 1.00 0.45 C ATOM 1389 SG CYS A 122 8.096 3.159 3.607 1.00 0.64 S ATOM 0 H CYS A 122 6.793 3.196 -0.432 1.00 0.38 H new ATOM 0 HA CYS A 122 5.876 4.214 1.997 1.00 0.40 H new ATOM 0 HB2 CYS A 122 7.122 2.084 1.673 1.00 0.45 H new ATOM 0 HB3 CYS A 122 8.568 2.975 1.243 1.00 0.45 H new ATOM 0 HG CYS A 122 9.268 2.634 3.809 1.00 0.64 H new ATOM 1395 N ASP A 123 8.313 6.109 0.865 1.00 0.47 N ATOM 1396 CA ASP A 123 8.986 7.416 1.038 1.00 0.51 C ATOM 1397 C ASP A 123 8.052 8.639 0.866 1.00 0.49 C ATOM 1398 O ASP A 123 8.370 9.746 1.307 1.00 0.74 O ATOM 1399 CB ASP A 123 10.142 7.478 0.031 1.00 0.69 C ATOM 1400 CG ASP A 123 11.129 8.624 0.286 1.00 0.96 C ATOM 1401 OD1 ASP A 123 11.524 8.865 1.448 1.00 2.07 O ATOM 1402 OD2 ASP A 123 11.575 9.248 -0.708 1.00 1.85 O ATOM 0 H ASP A 123 8.586 5.632 0.006 1.00 0.47 H new ATOM 0 HA ASP A 123 9.340 7.477 2.067 1.00 0.51 H new ATOM 0 HB2 ASP A 123 10.684 6.533 0.057 1.00 0.69 H new ATOM 0 HB3 ASP A 123 9.731 7.583 -0.973 1.00 0.69 H new ATOM 1407 N ILE A 124 6.890 8.438 0.236 1.00 0.43 N ATOM 1408 CA ILE A 124 5.774 9.397 0.150 1.00 0.43 C ATOM 1409 C ILE A 124 4.834 9.239 1.344 1.00 0.39 C ATOM 1410 O ILE A 124 4.480 10.222 1.994 1.00 0.42 O ATOM 1411 CB ILE A 124 5.033 9.212 -1.184 1.00 0.45 C ATOM 1412 CG1 ILE A 124 5.948 9.513 -2.380 1.00 0.51 C ATOM 1413 CG2 ILE A 124 3.754 10.064 -1.238 1.00 0.47 C ATOM 1414 CD1 ILE A 124 6.601 10.900 -2.417 1.00 1.20 C ATOM 0 H ILE A 124 6.689 7.565 -0.251 1.00 0.43 H new ATOM 0 HA ILE A 124 6.169 10.412 0.182 1.00 0.43 H new ATOM 0 HB ILE A 124 4.737 8.165 -1.249 1.00 0.45 H new ATOM 0 HG12 ILE A 124 6.740 8.764 -2.400 1.00 0.51 H new ATOM 0 HG13 ILE A 124 5.367 9.386 -3.293 1.00 0.51 H new ATOM 0 HG21 ILE A 124 3.254 9.910 -2.194 1.00 0.47 H new ATOM 0 HG22 ILE A 124 3.086 9.770 -0.428 1.00 0.47 H new ATOM 0 HG23 ILE A 124 4.014 11.117 -1.130 1.00 0.47 H new ATOM 0 HD11 ILE A 124 7.221 10.987 -3.309 1.00 1.20 H new ATOM 0 HD12 ILE A 124 5.826 11.666 -2.438 1.00 1.20 H new ATOM 0 HD13 ILE A 124 7.220 11.034 -1.530 1.00 1.20 H new ATOM 1426 N LEU A 125 4.476 8.001 1.684 1.00 0.34 N ATOM 1427 CA LEU A 125 3.629 7.673 2.835 1.00 0.31 C ATOM 1428 C LEU A 125 4.181 8.279 4.143 1.00 0.36 C ATOM 1429 O LEU A 125 3.412 8.760 4.972 1.00 0.37 O ATOM 1430 CB LEU A 125 3.504 6.138 2.934 1.00 0.31 C ATOM 1431 CG LEU A 125 2.237 5.683 3.680 1.00 0.36 C ATOM 1432 CD1 LEU A 125 1.004 5.784 2.779 1.00 0.46 C ATOM 1433 CD2 LEU A 125 2.356 4.226 4.122 1.00 0.40 C ATOM 0 H LEU A 125 4.772 7.179 1.157 1.00 0.34 H new ATOM 0 HA LEU A 125 2.641 8.110 2.689 1.00 0.31 H new ATOM 0 HB2 LEU A 125 3.499 5.714 1.930 1.00 0.31 H new ATOM 0 HB3 LEU A 125 4.381 5.740 3.444 1.00 0.31 H new ATOM 0 HG LEU A 125 2.132 6.337 4.546 1.00 0.36 H new ATOM 0 HD11 LEU A 125 0.123 5.457 3.330 1.00 0.46 H new ATOM 0 HD12 LEU A 125 0.870 6.818 2.461 1.00 0.46 H new ATOM 0 HD13 LEU A 125 1.140 5.150 1.903 1.00 0.46 H new ATOM 0 HD21 LEU A 125 1.448 3.930 4.647 1.00 0.40 H new ATOM 0 HD22 LEU A 125 2.494 3.590 3.247 1.00 0.40 H new ATOM 0 HD23 LEU A 125 3.212 4.117 4.788 1.00 0.40 H new ATOM 1445 N LEU A 126 5.511 8.338 4.272 1.00 0.42 N ATOM 1446 CA LEU A 126 6.243 8.917 5.410 1.00 0.51 C ATOM 1447 C LEU A 126 6.086 10.448 5.507 1.00 0.56 C ATOM 1448 O LEU A 126 6.208 11.026 6.584 1.00 0.73 O ATOM 1449 CB LEU A 126 7.733 8.513 5.283 1.00 0.58 C ATOM 1450 CG LEU A 126 8.477 8.106 6.569 1.00 0.62 C ATOM 1451 CD1 LEU A 126 8.448 9.169 7.659 1.00 0.65 C ATOM 1452 CD2 LEU A 126 7.916 6.823 7.175 1.00 0.70 C ATOM 0 H LEU A 126 6.136 7.968 3.556 1.00 0.42 H new ATOM 0 HA LEU A 126 5.820 8.522 6.334 1.00 0.51 H new ATOM 0 HB2 LEU A 126 7.796 7.681 4.582 1.00 0.58 H new ATOM 0 HB3 LEU A 126 8.270 9.349 4.835 1.00 0.58 H new ATOM 0 HG LEU A 126 9.506 7.962 6.240 1.00 0.62 H new ATOM 0 HD11 LEU A 126 8.992 8.810 8.532 1.00 0.65 H new ATOM 0 HD12 LEU A 126 8.916 10.081 7.290 1.00 0.65 H new ATOM 0 HD13 LEU A 126 7.415 9.378 7.936 1.00 0.65 H new ATOM 0 HD21 LEU A 126 8.471 6.575 8.080 1.00 0.70 H new ATOM 0 HD22 LEU A 126 6.864 6.967 7.423 1.00 0.70 H new ATOM 0 HD23 LEU A 126 8.011 6.009 6.456 1.00 0.70 H new ATOM 1464 N GLN A 127 5.760 11.117 4.400 1.00 0.52 N ATOM 1465 CA GLN A 127 5.370 12.523 4.377 1.00 0.56 C ATOM 1466 C GLN A 127 3.886 12.673 4.730 1.00 0.52 C ATOM 1467 O GLN A 127 3.519 13.410 5.652 1.00 0.55 O ATOM 1468 CB GLN A 127 5.628 13.090 2.973 1.00 0.59 C ATOM 1469 CG GLN A 127 6.967 12.684 2.345 1.00 0.65 C ATOM 1470 CD GLN A 127 8.164 12.794 3.282 1.00 0.74 C ATOM 1471 OE1 GLN A 127 8.367 13.773 3.992 1.00 0.93 O ATOM 1472 NE2 GLN A 127 8.977 11.767 3.340 1.00 0.69 N ATOM 0 H GLN A 127 5.761 10.685 3.476 1.00 0.52 H new ATOM 0 HA GLN A 127 5.958 13.071 5.114 1.00 0.56 H new ATOM 0 HB2 GLN A 127 4.822 12.767 2.314 1.00 0.59 H new ATOM 0 HB3 GLN A 127 5.583 14.178 3.023 1.00 0.59 H new ATOM 0 HG2 GLN A 127 6.891 11.655 1.992 1.00 0.65 H new ATOM 0 HG3 GLN A 127 7.148 13.309 1.470 1.00 0.65 H new ATOM 0 HE21 GLN A 127 8.811 10.951 2.751 1.00 0.69 H new ATOM 0 HE22 GLN A 127 9.776 11.784 3.974 1.00 0.69 H new ATOM 1481 N MET A 128 3.034 11.930 4.016 1.00 0.46 N ATOM 1482 CA MET A 128 1.583 12.072 4.048 1.00 0.44 C ATOM 1483 C MET A 128 0.953 11.660 5.379 1.00 0.43 C ATOM 1484 O MET A 128 -0.062 12.225 5.783 1.00 0.46 O ATOM 1485 CB MET A 128 1.001 11.200 2.941 1.00 0.41 C ATOM 1486 CG MET A 128 1.407 11.647 1.536 1.00 0.45 C ATOM 1487 SD MET A 128 0.477 10.818 0.229 1.00 0.45 S ATOM 1488 CE MET A 128 -1.118 11.600 0.543 1.00 0.48 C ATOM 0 H MET A 128 3.348 11.194 3.384 1.00 0.46 H new ATOM 0 HA MET A 128 1.356 13.129 3.910 1.00 0.44 H new ATOM 0 HB2 MET A 128 1.323 10.170 3.093 1.00 0.41 H new ATOM 0 HB3 MET A 128 -0.086 11.208 3.016 1.00 0.41 H new ATOM 0 HG2 MET A 128 1.263 12.724 1.449 1.00 0.45 H new ATOM 0 HG3 MET A 128 2.471 11.455 1.394 1.00 0.45 H new ATOM 0 HE1 MET A 128 -1.830 10.850 0.887 1.00 0.48 H new ATOM 0 HE2 MET A 128 -1.002 12.368 1.307 1.00 0.48 H new ATOM 0 HE3 MET A 128 -1.487 12.055 -0.376 1.00 0.48 H new ATOM 1498 N HIS A 129 1.566 10.699 6.075 1.00 0.43 N ATOM 1499 CA HIS A 129 1.185 10.311 7.451 1.00 0.45 C ATOM 1500 C HIS A 129 1.179 11.514 8.384 1.00 0.52 C ATOM 1501 O HIS A 129 0.283 11.725 9.197 1.00 0.55 O ATOM 1502 CB HIS A 129 2.228 9.349 8.021 1.00 0.46 C ATOM 1503 CG HIS A 129 1.909 8.743 9.363 1.00 0.50 C ATOM 1504 ND1 HIS A 129 0.744 8.160 9.805 1.00 0.50 N ATOM 1505 CD2 HIS A 129 2.812 8.627 10.375 1.00 0.61 C ATOM 1506 CE1 HIS A 129 0.976 7.643 11.024 1.00 0.62 C ATOM 1507 NE2 HIS A 129 2.235 7.898 11.420 1.00 0.71 N ATOM 0 H HIS A 129 2.348 10.159 5.704 1.00 0.43 H new ATOM 0 HA HIS A 129 0.193 9.862 7.392 1.00 0.45 H new ATOM 0 HB2 HIS A 129 2.375 8.540 7.306 1.00 0.46 H new ATOM 0 HB3 HIS A 129 3.177 9.880 8.101 1.00 0.46 H new ATOM 0 HD2 HIS A 129 3.813 9.033 10.372 1.00 0.61 H new ATOM 0 HE1 HIS A 129 0.249 7.097 11.607 1.00 0.62 H new ATOM 0 HE2 HIS A 129 2.676 7.619 12.296 1.00 0.71 H new ATOM 1515 N GLN A 130 2.279 12.249 8.274 1.00 0.58 N ATOM 1516 CA GLN A 130 2.770 13.144 9.295 1.00 0.68 C ATOM 1517 C GLN A 130 2.253 14.580 9.058 1.00 0.73 C ATOM 1518 O GLN A 130 2.161 15.378 9.991 1.00 0.87 O ATOM 1519 CB GLN A 130 4.290 12.965 9.336 1.00 0.75 C ATOM 1520 CG GLN A 130 4.712 11.506 9.482 1.00 0.73 C ATOM 1521 CD GLN A 130 6.046 11.329 10.193 1.00 0.82 C ATOM 1522 OE1 GLN A 130 6.112 11.007 11.376 1.00 0.99 O ATOM 1523 NE2 GLN A 130 7.137 11.518 9.490 1.00 0.83 N ATOM 0 H GLN A 130 2.868 12.232 7.441 1.00 0.58 H new ATOM 0 HA GLN A 130 2.390 12.914 10.290 1.00 0.68 H new ATOM 0 HB2 GLN A 130 4.724 13.374 8.423 1.00 0.75 H new ATOM 0 HB3 GLN A 130 4.696 13.541 10.168 1.00 0.75 H new ATOM 0 HG2 GLN A 130 3.941 10.966 10.032 1.00 0.73 H new ATOM 0 HG3 GLN A 130 4.774 11.053 8.493 1.00 0.73 H new ATOM 0 HE21 GLN A 130 7.071 11.785 8.508 1.00 0.83 H new ATOM 0 HE22 GLN A 130 8.052 11.398 9.925 1.00 0.83 H new ATOM 1532 N ASN A 131 1.848 14.881 7.813 1.00 0.67 N ATOM 1533 CA ASN A 131 0.987 16.009 7.435 1.00 0.73 C ATOM 1534 C ASN A 131 -0.515 15.669 7.594 1.00 0.73 C ATOM 1535 O ASN A 131 -1.307 16.553 7.917 1.00 0.88 O ATOM 1536 CB ASN A 131 1.396 16.499 6.027 1.00 0.74 C ATOM 1537 CG ASN A 131 0.314 16.326 4.986 1.00 1.16 C ATOM 1538 OD1 ASN A 131 0.219 15.312 4.315 1.00 2.84 O ATOM 1539 ND2 ASN A 131 -0.553 17.295 4.837 1.00 1.41 N ATOM 0 H ASN A 131 2.125 14.319 7.009 1.00 0.67 H new ATOM 0 HA ASN A 131 1.135 16.844 8.120 1.00 0.73 H new ATOM 0 HB2 ASN A 131 1.668 17.553 6.084 1.00 0.74 H new ATOM 0 HB3 ASN A 131 2.286 15.957 5.707 1.00 0.74 H new ATOM 0 HD21 ASN A 131 -1.309 17.203 4.159 1.00 1.41 H new ATOM 0 HD22 ASN A 131 -0.472 18.142 5.399 1.00 1.41 H new ATOM 1546 N GLY A 132 -0.915 14.403 7.410 1.00 0.61 N ATOM 1547 CA GLY A 132 -2.277 13.929 7.672 1.00 0.61 C ATOM 1548 C GLY A 132 -3.177 13.885 6.436 1.00 0.56 C ATOM 1549 O GLY A 132 -4.393 13.749 6.570 1.00 0.60 O ATOM 0 H GLY A 132 -0.291 13.671 7.070 1.00 0.61 H new ATOM 0 HA2 GLY A 132 -2.224 12.930 8.104 1.00 0.61 H new ATOM 0 HA3 GLY A 132 -2.737 14.576 8.419 1.00 0.61 H new ATOM 1553 N ASP A 133 -2.617 13.936 5.228 1.00 0.53 N ATOM 1554 CA ASP A 133 -3.364 13.767 3.974 1.00 0.56 C ATOM 1555 C ASP A 133 -3.860 12.327 3.777 1.00 0.52 C ATOM 1556 O ASP A 133 -4.737 12.112 2.937 1.00 0.60 O ATOM 1557 CB ASP A 133 -2.460 14.139 2.790 1.00 0.62 C ATOM 1558 CG ASP A 133 -2.393 15.628 2.451 1.00 0.86 C ATOM 1559 OD1 ASP A 133 -2.816 16.501 3.247 1.00 2.02 O ATOM 1560 OD2 ASP A 133 -1.882 15.922 1.344 1.00 1.71 O ATOM 0 H ASP A 133 -1.620 14.098 5.087 1.00 0.53 H new ATOM 0 HA ASP A 133 -4.235 14.420 4.026 1.00 0.56 H new ATOM 0 HB2 ASP A 133 -1.450 13.788 3.003 1.00 0.62 H new ATOM 0 HB3 ASP A 133 -2.806 13.599 1.908 1.00 0.62 H new ATOM 1565 N LEU A 134 -3.356 11.347 4.549 1.00 0.41 N ATOM 1566 CA LEU A 134 -3.841 9.964 4.454 1.00 0.34 C ATOM 1567 C LEU A 134 -5.226 9.844 5.086 1.00 0.35 C ATOM 1568 O LEU A 134 -6.017 8.968 4.762 1.00 0.35 O ATOM 1569 CB LEU A 134 -2.893 8.992 5.185 1.00 0.31 C ATOM 1570 CG LEU A 134 -1.449 8.955 4.673 1.00 0.31 C ATOM 1571 CD1 LEU A 134 -0.649 7.885 5.413 1.00 0.32 C ATOM 1572 CD2 LEU A 134 -1.373 8.668 3.178 1.00 0.32 C ATOM 0 H LEU A 134 -2.619 11.488 5.240 1.00 0.41 H new ATOM 0 HA LEU A 134 -3.883 9.705 3.396 1.00 0.34 H new ATOM 0 HB2 LEU A 134 -2.877 9.257 6.242 1.00 0.31 H new ATOM 0 HB3 LEU A 134 -3.309 7.987 5.115 1.00 0.31 H new ATOM 0 HG LEU A 134 -1.028 9.943 4.858 1.00 0.31 H new ATOM 0 HD11 LEU A 134 0.374 7.871 5.038 1.00 0.32 H new ATOM 0 HD12 LEU A 134 -0.642 8.109 6.480 1.00 0.32 H new ATOM 0 HD13 LEU A 134 -1.108 6.910 5.250 1.00 0.32 H new ATOM 0 HD21 LEU A 134 -0.330 8.652 2.863 1.00 0.32 H new ATOM 0 HD22 LEU A 134 -1.830 7.701 2.970 1.00 0.32 H new ATOM 0 HD23 LEU A 134 -1.905 9.446 2.631 1.00 0.32 H new ATOM 1584 N VAL A 135 -5.489 10.740 6.029 1.00 0.40 N ATOM 1585 CA VAL A 135 -6.609 10.709 6.958 1.00 0.47 C ATOM 1586 C VAL A 135 -7.872 11.156 6.263 1.00 0.56 C ATOM 1587 O VAL A 135 -8.912 10.526 6.414 1.00 0.62 O ATOM 1588 CB VAL A 135 -6.303 11.650 8.122 1.00 0.49 C ATOM 1589 CG1 VAL A 135 -7.228 11.402 9.285 1.00 0.53 C ATOM 1590 CG2 VAL A 135 -4.937 11.297 8.684 1.00 0.47 C ATOM 0 H VAL A 135 -4.891 11.554 6.173 1.00 0.40 H new ATOM 0 HA VAL A 135 -6.754 9.693 7.325 1.00 0.47 H new ATOM 0 HB VAL A 135 -6.389 12.667 7.740 1.00 0.49 H new ATOM 0 HG11 VAL A 135 -6.984 12.088 10.097 1.00 0.53 H new ATOM 0 HG12 VAL A 135 -8.259 11.564 8.971 1.00 0.53 H new ATOM 0 HG13 VAL A 135 -7.111 10.375 9.630 1.00 0.53 H new ATOM 0 HG21 VAL A 135 -4.704 11.961 9.517 1.00 0.47 H new ATOM 0 HG22 VAL A 135 -4.943 10.265 9.033 1.00 0.47 H new ATOM 0 HG23 VAL A 135 -4.183 11.412 7.906 1.00 0.47 H new ATOM 1600 N GLU A 136 -7.758 12.207 5.454 1.00 0.62 N ATOM 1601 CA GLU A 136 -8.828 12.667 4.582 1.00 0.76 C ATOM 1602 C GLU A 136 -9.082 11.639 3.477 1.00 0.67 C ATOM 1603 O GLU A 136 -10.226 11.298 3.208 1.00 0.82 O ATOM 1604 CB GLU A 136 -8.435 14.016 3.944 1.00 0.93 C ATOM 1605 CG GLU A 136 -8.017 15.113 4.930 1.00 1.38 C ATOM 1606 CD GLU A 136 -9.143 15.539 5.876 1.00 1.84 C ATOM 1607 OE1 GLU A 136 -10.116 16.194 5.426 1.00 2.22 O ATOM 1608 OE2 GLU A 136 -9.065 15.214 7.082 1.00 2.93 O ATOM 0 H GLU A 136 -6.908 12.768 5.387 1.00 0.62 H new ATOM 0 HA GLU A 136 -9.736 12.792 5.172 1.00 0.76 H new ATOM 0 HB2 GLU A 136 -7.614 13.844 3.249 1.00 0.93 H new ATOM 0 HB3 GLU A 136 -9.278 14.380 3.357 1.00 0.93 H new ATOM 0 HG2 GLU A 136 -7.171 14.759 5.519 1.00 1.38 H new ATOM 0 HG3 GLU A 136 -7.673 15.983 4.370 1.00 1.38 H new ATOM 1615 N GLU A 137 -8.022 11.068 2.893 1.00 0.53 N ATOM 1616 CA GLU A 137 -8.140 9.993 1.891 1.00 0.52 C ATOM 1617 C GLU A 137 -8.878 8.756 2.448 1.00 0.44 C ATOM 1618 O GLU A 137 -9.750 8.204 1.777 1.00 0.52 O ATOM 1619 CB GLU A 137 -6.743 9.626 1.355 1.00 0.57 C ATOM 1620 CG GLU A 137 -6.746 9.287 -0.141 1.00 0.88 C ATOM 1621 CD GLU A 137 -6.937 10.537 -1.014 1.00 1.10 C ATOM 1622 OE1 GLU A 137 -6.045 11.421 -1.030 1.00 1.97 O ATOM 1623 OE2 GLU A 137 -7.971 10.655 -1.710 1.00 1.68 O ATOM 0 H GLU A 137 -7.059 11.335 3.098 1.00 0.53 H new ATOM 0 HA GLU A 137 -8.747 10.363 1.065 1.00 0.52 H new ATOM 0 HB2 GLU A 137 -6.062 10.458 1.532 1.00 0.57 H new ATOM 0 HB3 GLU A 137 -6.357 8.774 1.914 1.00 0.57 H new ATOM 0 HG2 GLU A 137 -5.807 8.801 -0.404 1.00 0.88 H new ATOM 0 HG3 GLU A 137 -7.543 8.574 -0.350 1.00 0.88 H new ATOM 1630 N LEU A 138 -8.608 8.378 3.706 1.00 0.37 N ATOM 1631 CA LEU A 138 -9.370 7.355 4.431 1.00 0.38 C ATOM 1632 C LEU A 138 -10.819 7.802 4.701 1.00 0.42 C ATOM 1633 O LEU A 138 -11.756 7.034 4.482 1.00 0.42 O ATOM 1634 CB LEU A 138 -8.626 7.028 5.745 1.00 0.43 C ATOM 1635 CG LEU A 138 -7.394 6.115 5.588 1.00 0.49 C ATOM 1636 CD1 LEU A 138 -6.611 6.081 6.903 1.00 0.60 C ATOM 1637 CD2 LEU A 138 -7.772 4.676 5.233 1.00 0.55 C ATOM 0 H LEU A 138 -7.846 8.779 4.253 1.00 0.37 H new ATOM 0 HA LEU A 138 -9.440 6.458 3.816 1.00 0.38 H new ATOM 0 HB2 LEU A 138 -8.310 7.963 6.208 1.00 0.43 H new ATOM 0 HB3 LEU A 138 -9.326 6.553 6.432 1.00 0.43 H new ATOM 0 HG LEU A 138 -6.797 6.529 4.775 1.00 0.49 H new ATOM 0 HD11 LEU A 138 -5.740 5.435 6.791 1.00 0.60 H new ATOM 0 HD12 LEU A 138 -6.285 7.089 7.158 1.00 0.60 H new ATOM 0 HD13 LEU A 138 -7.250 5.694 7.697 1.00 0.60 H new ATOM 0 HD21 LEU A 138 -6.867 4.076 5.134 1.00 0.55 H new ATOM 0 HD22 LEU A 138 -8.399 4.260 6.021 1.00 0.55 H new ATOM 0 HD23 LEU A 138 -8.319 4.666 4.290 1.00 0.55 H new ATOM 1649 N LYS A 139 -11.030 9.053 5.129 1.00 0.55 N ATOM 1650 CA LYS A 139 -12.349 9.565 5.547 1.00 0.86 C ATOM 1651 C LYS A 139 -13.299 9.874 4.377 1.00 0.97 C ATOM 1652 O LYS A 139 -14.512 9.770 4.536 1.00 1.08 O ATOM 1653 CB LYS A 139 -12.184 10.621 6.652 1.00 1.64 C ATOM 1654 CG LYS A 139 -12.306 12.050 6.189 1.00 0.99 C ATOM 1655 CD LYS A 139 -11.903 13.094 7.258 1.00 0.71 C ATOM 1656 CE LYS A 139 -10.772 12.785 8.281 1.00 0.60 C ATOM 1657 NZ LYS A 139 -10.479 14.002 9.066 1.00 0.92 N ATOM 0 H LYS A 139 -10.286 9.747 5.197 1.00 0.55 H new ATOM 0 HA LYS A 139 -12.916 8.767 6.027 1.00 0.86 H new ATOM 0 HB2 LYS A 139 -12.933 10.439 7.423 1.00 1.64 H new ATOM 0 HB3 LYS A 139 -11.208 10.488 7.119 1.00 1.64 H new ATOM 0 HG2 LYS A 139 -11.682 12.190 5.306 1.00 0.99 H new ATOM 0 HG3 LYS A 139 -13.336 12.236 5.884 1.00 0.99 H new ATOM 0 HD2 LYS A 139 -11.617 14.002 6.728 1.00 0.71 H new ATOM 0 HD3 LYS A 139 -12.800 13.329 7.832 1.00 0.71 H new ATOM 0 HE2 LYS A 139 -11.077 11.975 8.944 1.00 0.60 H new ATOM 0 HE3 LYS A 139 -9.875 12.450 7.759 1.00 0.60 H new ATOM 0 HZ1 LYS A 139 -10.025 13.736 9.963 1.00 0.92 H new ATOM 0 HZ2 LYS A 139 -9.840 14.619 8.525 1.00 0.92 H new ATOM 0 HZ3 LYS A 139 -11.365 14.509 9.264 1.00 0.92 H new ATOM 1671 N LYS A 140 -12.762 10.079 3.166 1.00 1.05 N ATOM 1672 CA LYS A 140 -13.475 10.065 1.873 1.00 1.26 C ATOM 1673 C LYS A 140 -14.052 8.686 1.525 1.00 1.15 C ATOM 1674 O LYS A 140 -15.155 8.618 0.977 1.00 1.39 O ATOM 1675 CB LYS A 140 -12.512 10.554 0.779 1.00 1.53 C ATOM 1676 CG LYS A 140 -12.257 12.069 0.872 1.00 1.90 C ATOM 1677 CD LYS A 140 -11.013 12.537 0.102 1.00 2.24 C ATOM 1678 CE LYS A 140 -11.080 12.241 -1.401 1.00 1.76 C ATOM 1679 NZ LYS A 140 -9.840 12.677 -2.087 1.00 1.96 N ATOM 0 H LYS A 140 -11.766 10.269 3.052 1.00 1.05 H new ATOM 0 HA LYS A 140 -14.333 10.733 1.946 1.00 1.26 H new ATOM 0 HB2 LYS A 140 -11.565 10.021 0.864 1.00 1.53 H new ATOM 0 HB3 LYS A 140 -12.925 10.315 -0.201 1.00 1.53 H new ATOM 0 HG2 LYS A 140 -13.130 12.599 0.490 1.00 1.90 H new ATOM 0 HG3 LYS A 140 -12.149 12.346 1.921 1.00 1.90 H new ATOM 0 HD2 LYS A 140 -10.887 13.610 0.248 1.00 2.24 H new ATOM 0 HD3 LYS A 140 -10.131 12.052 0.521 1.00 2.24 H new ATOM 0 HE2 LYS A 140 -11.230 11.173 -1.558 1.00 1.76 H new ATOM 0 HE3 LYS A 140 -11.939 12.751 -1.837 1.00 1.76 H new ATOM 0 HZ1 LYS A 140 -10.049 12.884 -3.084 1.00 1.96 H new ATOM 0 HZ2 LYS A 140 -9.471 13.533 -1.626 1.00 1.96 H new ATOM 0 HZ3 LYS A 140 -9.129 11.920 -2.032 1.00 1.96 H new ATOM 1693 N LEU A 141 -13.371 7.596 1.900 1.00 0.91 N ATOM 1694 CA LEU A 141 -13.896 6.218 1.840 1.00 0.92 C ATOM 1695 C LEU A 141 -14.918 5.915 2.957 1.00 0.84 C ATOM 1696 O LEU A 141 -15.632 4.910 2.886 1.00 1.10 O ATOM 1697 CB LEU A 141 -12.711 5.222 1.915 1.00 0.89 C ATOM 1698 CG LEU A 141 -12.225 4.606 0.594 1.00 0.96 C ATOM 1699 CD1 LEU A 141 -13.250 3.656 -0.025 1.00 1.60 C ATOM 1700 CD2 LEU A 141 -11.850 5.682 -0.419 1.00 1.60 C ATOM 0 H LEU A 141 -12.419 7.644 2.262 1.00 0.91 H new ATOM 0 HA LEU A 141 -14.429 6.108 0.896 1.00 0.92 H new ATOM 0 HB2 LEU A 141 -11.868 5.735 2.379 1.00 0.89 H new ATOM 0 HB3 LEU A 141 -12.996 4.408 2.582 1.00 0.89 H new ATOM 0 HG LEU A 141 -11.338 4.025 0.845 1.00 0.96 H new ATOM 0 HD11 LEU A 141 -12.854 3.250 -0.956 1.00 1.60 H new ATOM 0 HD12 LEU A 141 -13.455 2.840 0.668 1.00 1.60 H new ATOM 0 HD13 LEU A 141 -14.173 4.199 -0.229 1.00 1.60 H new ATOM 0 HD21 LEU A 141 -11.511 5.211 -1.341 1.00 1.60 H new ATOM 0 HD22 LEU A 141 -12.720 6.304 -0.628 1.00 1.60 H new ATOM 0 HD23 LEU A 141 -11.051 6.301 -0.013 1.00 1.60 H new ATOM 1712 N GLY A 142 -14.968 6.764 3.990 1.00 0.62 N ATOM 1713 CA GLY A 142 -15.705 6.574 5.243 1.00 0.56 C ATOM 1714 C GLY A 142 -14.847 6.038 6.398 1.00 0.52 C ATOM 1715 O GLY A 142 -15.278 6.106 7.554 1.00 0.79 O ATOM 0 H GLY A 142 -14.467 7.652 3.972 1.00 0.62 H new ATOM 0 HA2 GLY A 142 -16.144 7.526 5.542 1.00 0.56 H new ATOM 0 HA3 GLY A 142 -16.530 5.884 5.066 1.00 0.56 H new ATOM 1719 N ILE A 143 -13.625 5.558 6.130 1.00 0.40 N ATOM 1720 CA ILE A 143 -12.759 4.942 7.145 1.00 0.40 C ATOM 1721 C ILE A 143 -12.296 5.978 8.176 1.00 0.38 C ATOM 1722 O ILE A 143 -11.806 7.062 7.847 1.00 0.40 O ATOM 1723 CB ILE A 143 -11.546 4.182 6.547 1.00 0.44 C ATOM 1724 CG1 ILE A 143 -11.965 3.082 5.542 1.00 0.50 C ATOM 1725 CG2 ILE A 143 -10.751 3.581 7.728 1.00 0.50 C ATOM 1726 CD1 ILE A 143 -10.805 2.446 4.747 1.00 0.56 C ATOM 0 H ILE A 143 -13.208 5.586 5.200 1.00 0.40 H new ATOM 0 HA ILE A 143 -13.372 4.192 7.645 1.00 0.40 H new ATOM 0 HB ILE A 143 -10.932 4.878 5.976 1.00 0.44 H new ATOM 0 HG12 ILE A 143 -12.487 2.295 6.086 1.00 0.50 H new ATOM 0 HG13 ILE A 143 -12.678 3.509 4.836 1.00 0.50 H new ATOM 0 HG21 ILE A 143 -9.887 3.037 7.346 1.00 0.50 H new ATOM 0 HG22 ILE A 143 -10.413 4.383 8.385 1.00 0.50 H new ATOM 0 HG23 ILE A 143 -11.391 2.899 8.288 1.00 0.50 H new ATOM 0 HD11 ILE A 143 -11.200 1.688 4.071 1.00 0.56 H new ATOM 0 HD12 ILE A 143 -10.294 3.217 4.170 1.00 0.56 H new ATOM 0 HD13 ILE A 143 -10.101 1.984 5.438 1.00 0.56 H new ATOM 1738 N HIS A 144 -12.394 5.586 9.442 1.00 0.45 N ATOM 1739 CA HIS A 144 -11.950 6.339 10.606 1.00 0.47 C ATOM 1740 C HIS A 144 -10.502 5.993 10.954 1.00 0.49 C ATOM 1741 O HIS A 144 -10.205 4.874 11.385 1.00 0.57 O ATOM 1742 CB HIS A 144 -12.903 5.976 11.744 1.00 0.61 C ATOM 1743 CG HIS A 144 -12.902 6.935 12.914 1.00 0.78 C ATOM 1744 ND1 HIS A 144 -13.636 8.097 13.031 1.00 1.02 N ATOM 1745 CD2 HIS A 144 -12.212 6.783 14.088 1.00 0.93 C ATOM 1746 CE1 HIS A 144 -13.395 8.623 14.242 1.00 1.19 C ATOM 1747 NE2 HIS A 144 -12.529 7.860 14.932 1.00 1.12 N ATOM 0 H HIS A 144 -12.807 4.688 9.695 1.00 0.45 H new ATOM 0 HA HIS A 144 -11.970 7.412 10.417 1.00 0.47 H new ATOM 0 HB2 HIS A 144 -13.915 5.917 11.344 1.00 0.61 H new ATOM 0 HB3 HIS A 144 -12.646 4.982 12.109 1.00 0.61 H new ATOM 0 HD2 HIS A 144 -11.539 5.972 14.324 1.00 0.93 H new ATOM 0 HE1 HIS A 144 -13.837 9.536 14.612 1.00 1.19 H new ATOM 0 HE2 HIS A 144 -12.175 8.029 15.874 1.00 1.12 H new ATOM 1755 N SER A 145 -9.591 6.952 10.799 1.00 0.47 N ATOM 1756 CA SER A 145 -8.279 6.889 11.431 1.00 0.52 C ATOM 1757 C SER A 145 -8.420 6.883 12.960 1.00 0.55 C ATOM 1758 O SER A 145 -9.189 7.629 13.550 1.00 0.74 O ATOM 1759 CB SER A 145 -7.422 8.051 10.914 1.00 0.56 C ATOM 1760 OG SER A 145 -6.477 8.495 11.874 1.00 0.55 O ATOM 0 H SER A 145 -9.742 7.788 10.235 1.00 0.47 H new ATOM 0 HA SER A 145 -7.774 5.959 11.168 1.00 0.52 H new ATOM 0 HB2 SER A 145 -6.899 7.739 10.010 1.00 0.56 H new ATOM 0 HB3 SER A 145 -8.071 8.882 10.636 1.00 0.56 H new ATOM 0 HG SER A 145 -5.571 8.367 11.524 1.00 0.55 H new ATOM 1766 N ALA A 146 -7.628 6.061 13.627 1.00 0.45 N ATOM 1767 CA ALA A 146 -7.547 5.985 15.082 1.00 0.46 C ATOM 1768 C ALA A 146 -6.805 7.189 15.700 1.00 0.48 C ATOM 1769 O ALA A 146 -6.872 7.388 16.914 1.00 0.65 O ATOM 1770 CB ALA A 146 -6.911 4.643 15.457 1.00 0.49 C ATOM 0 H ALA A 146 -7.002 5.406 13.159 1.00 0.45 H new ATOM 0 HA ALA A 146 -8.551 6.038 15.502 1.00 0.46 H new ATOM 0 HB1 ALA A 146 -6.840 4.564 16.542 1.00 0.49 H new ATOM 0 HB2 ALA A 146 -7.526 3.829 15.073 1.00 0.49 H new ATOM 0 HB3 ALA A 146 -5.913 4.579 15.023 1.00 0.49 H new ATOM 1776 N LEU A 147 -6.132 8.020 14.890 1.00 0.43 N ATOM 1777 CA LEU A 147 -5.438 9.227 15.295 1.00 0.50 C ATOM 1778 C LEU A 147 -6.346 10.473 15.331 1.00 0.57 C ATOM 1779 O LEU A 147 -5.903 11.549 15.734 1.00 0.75 O ATOM 1780 CB LEU A 147 -4.256 9.404 14.330 1.00 0.52 C ATOM 1781 CG LEU A 147 -3.273 8.232 14.172 1.00 0.55 C ATOM 1782 CD1 LEU A 147 -1.986 8.697 13.491 1.00 0.64 C ATOM 1783 CD2 LEU A 147 -2.908 7.625 15.515 1.00 0.55 C ATOM 0 H LEU A 147 -6.060 7.850 13.887 1.00 0.43 H new ATOM 0 HA LEU A 147 -5.092 9.121 16.323 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -4.661 9.636 13.345 1.00 0.52 H new ATOM 0 HB3 LEU A 147 -3.687 10.276 14.654 1.00 0.52 H new ATOM 0 HG LEU A 147 -3.773 7.480 13.561 1.00 0.55 H new ATOM 0 HD11 LEU A 147 -1.303 7.853 13.388 1.00 0.64 H new ATOM 0 HD12 LEU A 147 -2.220 9.096 12.504 1.00 0.64 H new ATOM 0 HD13 LEU A 147 -1.515 9.473 14.094 1.00 0.64 H new ATOM 0 HD21 LEU A 147 -2.212 6.800 15.364 1.00 0.55 H new ATOM 0 HD22 LEU A 147 -2.441 8.384 16.142 1.00 0.55 H new ATOM 0 HD23 LEU A 147 -3.809 7.255 16.004 1.00 0.55 H new ATOM 1795 N LEU A 148 -7.615 10.336 14.916 1.00 0.54 N ATOM 1796 CA LEU A 148 -8.562 11.421 14.698 1.00 0.73 C ATOM 1797 C LEU A 148 -8.666 12.410 15.870 1.00 1.21 C ATOM 1798 O LEU A 148 -8.640 13.627 15.665 1.00 1.86 O ATOM 1799 CB LEU A 148 -9.931 10.800 14.331 1.00 0.64 C ATOM 1800 CG LEU A 148 -10.375 11.203 12.906 1.00 0.91 C ATOM 1801 CD1 LEU A 148 -10.172 10.050 11.958 1.00 2.14 C ATOM 1802 CD2 LEU A 148 -11.817 11.693 12.814 1.00 2.21 C ATOM 0 H LEU A 148 -8.019 9.421 14.717 1.00 0.54 H new ATOM 0 HA LEU A 148 -8.194 12.034 13.875 1.00 0.73 H new ATOM 0 HB2 LEU A 148 -9.869 9.714 14.400 1.00 0.64 H new ATOM 0 HB3 LEU A 148 -10.682 11.122 15.052 1.00 0.64 H new ATOM 0 HG LEU A 148 -9.747 12.049 12.627 1.00 0.91 H new ATOM 0 HD11 LEU A 148 -10.487 10.343 10.956 1.00 2.14 H new ATOM 0 HD12 LEU A 148 -9.117 9.775 11.940 1.00 2.14 H new ATOM 0 HD13 LEU A 148 -10.764 9.197 12.290 1.00 2.14 H new ATOM 0 HD21 LEU A 148 -12.047 11.955 11.781 1.00 2.21 H new ATOM 0 HD22 LEU A 148 -12.491 10.904 13.147 1.00 2.21 H new ATOM 0 HD23 LEU A 148 -11.944 12.571 13.448 1.00 2.21 H new ATOM 1814 N ASP A 149 -8.711 11.869 17.085 1.00 1.32 N ATOM 1815 CA ASP A 149 -8.907 12.578 18.354 1.00 2.03 C ATOM 1816 C ASP A 149 -7.786 12.258 19.368 1.00 1.80 C ATOM 1817 O ASP A 149 -7.990 12.288 20.584 1.00 2.21 O ATOM 1818 CB ASP A 149 -10.319 12.234 18.860 1.00 2.78 C ATOM 1819 CG ASP A 149 -11.189 13.467 19.121 1.00 4.03 C ATOM 1820 OD1 ASP A 149 -10.772 14.398 19.851 1.00 5.27 O ATOM 1821 OD2 ASP A 149 -12.334 13.482 18.607 1.00 4.21 O ATOM 0 H ASP A 149 -8.606 10.864 17.222 1.00 1.32 H new ATOM 0 HA ASP A 149 -8.838 13.657 18.212 1.00 2.03 H new ATOM 0 HB2 ASP A 149 -10.815 11.598 18.127 1.00 2.78 H new ATOM 0 HB3 ASP A 149 -10.236 11.656 19.780 1.00 2.78 H new ATOM 1826 N GLU A 150 -6.602 11.908 18.850 1.00 1.52 N ATOM 1827 CA GLU A 150 -5.366 11.598 19.618 1.00 1.96 C ATOM 1828 C GLU A 150 -4.755 12.834 20.289 1.00 2.44 C ATOM 1829 O GLU A 150 -4.428 13.801 19.564 1.00 3.14 O ATOM 1830 CB GLU A 150 -4.340 10.885 18.705 1.00 2.32 C ATOM 1831 CG GLU A 150 -3.795 9.540 19.214 1.00 3.09 C ATOM 1832 CD GLU A 150 -2.741 9.659 20.326 1.00 3.51 C ATOM 1833 OE1 GLU A 150 -1.684 10.317 20.124 1.00 3.80 O ATOM 1834 OE2 GLU A 150 -2.932 9.059 21.412 1.00 4.45 O ATOM 0 H GLU A 150 -6.462 11.827 17.843 1.00 1.52 H new ATOM 0 HA GLU A 150 -5.646 10.926 20.429 1.00 1.96 H new ATOM 0 HB2 GLU A 150 -4.804 10.720 17.732 1.00 2.32 H new ATOM 0 HB3 GLU A 150 -3.497 11.558 18.547 1.00 2.32 H new ATOM 0 HG2 GLU A 150 -4.628 8.941 19.583 1.00 3.09 H new ATOM 0 HG3 GLU A 150 -3.360 8.998 18.375 1.00 3.09 H new TER 1841 GLU A 150