USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -120:sc= 0.0912 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.774 K(o=-0.68,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.692 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 111:sc= 2.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00518 USER MOD Single : A 10 HIS : no HE2:sc= -9.8! C(o=-9.8!,f=-13!) USER MOD Single : A 12 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-1.7!) USER MOD Single : A 13 MET CE :methyl -158:sc= -0.684 (180deg=-2.18!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.225 K(o=-0.23,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 23 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.104) USER MOD Single : A 30 THR OG1 : rot 130:sc= 1.26 USER MOD Single : A 36 SER OG : rot -140:sc= -0.133 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -79:sc= 0.565 USER MOD Single : A 51 GLN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -68:sc= -0.338 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.021) USER MOD Single : A 68 MET CE :methyl 180:sc= -0.408 (180deg=-0.408) USER MOD Single : A 69 CYS SG : rot 47:sc= 0.694 USER MOD Single : A 74 TYR OH : rot -3:sc= 0.00077 USER MOD Single : A 75 THR OG1 : rot -138:sc= 1.21 USER MOD Single : A 81 THR OG1 : rot 44:sc= 0.396 USER MOD Single : A 84 SER OG : rot 29:sc= 0.428 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.002) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0596) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -78:sc= 0.869 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0191 USER MOD Single : A 109 GLN :FLIP amide:sc= -3.49! C(o=-5.1!,f=-3.5!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.0096 X(o=-0.0096,f=-0.0096) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : B 14 GLN : amide:sc= -0.0539 X(o=-0.054,f=-0.054) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.761 -9.072 -19.479 1.00 0.00 N ATOM 2 CA GLY A 1 19.930 -8.016 -18.930 1.00 0.00 C ATOM 3 C GLY A 1 18.649 -7.819 -19.715 1.00 0.00 C ATOM 4 O GLY A 1 18.665 -7.271 -20.817 1.00 0.00 O ATOM 0 H1 GLY A 1 21.624 -9.167 -18.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.236 -9.970 -19.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.019 -8.837 -20.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.685 -8.252 -17.894 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.493 -7.083 -18.920 1.00 0.00 H new ATOM 8 N SER A 2 17.535 -8.269 -19.147 1.00 0.00 N ATOM 9 CA SER A 2 16.239 -8.144 -19.803 1.00 0.00 C ATOM 10 C SER A 2 15.277 -7.316 -18.955 1.00 0.00 C ATOM 11 O SER A 2 14.559 -7.852 -18.109 1.00 0.00 O ATOM 12 CB SER A 2 15.642 -9.527 -20.067 1.00 0.00 C ATOM 13 OG SER A 2 15.519 -10.269 -18.866 1.00 0.00 O ATOM 0 H SER A 2 17.504 -8.723 -18.234 1.00 0.00 H new ATOM 0 HA SER A 2 16.389 -7.633 -20.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.663 -9.420 -20.534 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.273 -10.070 -20.770 1.00 0.00 H new ATOM 0 HG SER A 2 15.127 -9.702 -18.170 1.00 0.00 H new ATOM 19 N SER A 3 15.269 -6.008 -19.187 1.00 0.00 N ATOM 20 CA SER A 3 14.399 -5.105 -18.442 1.00 0.00 C ATOM 21 C SER A 3 12.944 -5.277 -18.869 1.00 0.00 C ATOM 22 O SER A 3 12.612 -5.143 -20.046 1.00 0.00 O ATOM 23 CB SER A 3 14.837 -3.653 -18.652 1.00 0.00 C ATOM 24 OG SER A 3 14.011 -2.762 -17.922 1.00 0.00 O ATOM 0 H SER A 3 15.855 -5.549 -19.885 1.00 0.00 H new ATOM 0 HA SER A 3 14.480 -5.352 -17.383 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.874 -3.533 -18.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.795 -3.407 -19.713 1.00 0.00 H new ATOM 0 HG SER A 3 14.311 -1.841 -18.071 1.00 0.00 H new ATOM 30 N GLY A 4 12.081 -5.572 -17.902 1.00 0.00 N ATOM 31 CA GLY A 4 10.673 -5.758 -18.196 1.00 0.00 C ATOM 32 C GLY A 4 9.808 -5.705 -16.952 1.00 0.00 C ATOM 33 O GLY A 4 10.222 -6.151 -15.882 1.00 0.00 O ATOM 0 H GLY A 4 12.332 -5.685 -16.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.346 -4.988 -18.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.532 -6.719 -18.692 1.00 0.00 H new ATOM 37 N SER A 5 8.606 -5.158 -17.092 1.00 0.00 N ATOM 38 CA SER A 5 7.683 -5.043 -15.968 1.00 0.00 C ATOM 39 C SER A 5 7.457 -6.401 -15.310 1.00 0.00 C ATOM 40 O SER A 5 7.052 -7.361 -15.965 1.00 0.00 O ATOM 41 CB SER A 5 6.347 -4.462 -16.435 1.00 0.00 C ATOM 42 OG SER A 5 5.344 -4.632 -15.450 1.00 0.00 O ATOM 0 H SER A 5 8.247 -4.787 -17.972 1.00 0.00 H new ATOM 0 HA SER A 5 8.126 -4.371 -15.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.466 -3.402 -16.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.039 -4.949 -17.360 1.00 0.00 H new ATOM 0 HG SER A 5 5.099 -3.759 -15.078 1.00 0.00 H new ATOM 48 N SER A 6 7.721 -6.472 -14.010 1.00 0.00 N ATOM 49 CA SER A 6 7.552 -7.713 -13.262 1.00 0.00 C ATOM 50 C SER A 6 6.382 -7.604 -12.289 1.00 0.00 C ATOM 51 O SER A 6 6.472 -8.037 -11.141 1.00 0.00 O ATOM 52 CB SER A 6 8.833 -8.054 -12.500 1.00 0.00 C ATOM 53 OG SER A 6 9.952 -8.078 -13.369 1.00 0.00 O ATOM 0 H SER A 6 8.053 -5.685 -13.452 1.00 0.00 H new ATOM 0 HA SER A 6 7.339 -8.511 -13.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.997 -7.320 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.724 -9.024 -12.015 1.00 0.00 H new ATOM 0 HG SER A 6 10.759 -8.297 -12.857 1.00 0.00 H new ATOM 59 N GLY A 7 5.281 -7.021 -12.757 1.00 0.00 N ATOM 60 CA GLY A 7 4.109 -6.865 -11.916 1.00 0.00 C ATOM 61 C GLY A 7 4.371 -5.979 -10.715 1.00 0.00 C ATOM 62 O GLY A 7 5.521 -5.767 -10.331 1.00 0.00 O ATOM 0 H GLY A 7 5.181 -6.654 -13.704 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.296 -6.441 -12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.777 -7.846 -11.575 1.00 0.00 H new ATOM 66 N TRP A 8 3.303 -5.458 -10.121 1.00 0.00 N ATOM 67 CA TRP A 8 3.424 -4.587 -8.957 1.00 0.00 C ATOM 68 C TRP A 8 4.125 -5.307 -7.810 1.00 0.00 C ATOM 69 O TRP A 8 5.040 -4.763 -7.192 1.00 0.00 O ATOM 70 CB TRP A 8 2.042 -4.110 -8.508 1.00 0.00 C ATOM 71 CG TRP A 8 0.949 -5.092 -8.801 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.213 -5.179 -9.949 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.467 -6.124 -7.934 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.697 -6.204 -9.846 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.560 -6.799 -8.620 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.806 -6.544 -6.645 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.251 -7.870 -8.058 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.119 -7.606 -6.088 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.900 -8.260 -6.794 1.00 0.00 C ATOM 0 H TRP A 8 2.344 -5.623 -10.426 1.00 0.00 H new ATOM 0 HA TRP A 8 4.025 -3.723 -9.240 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.065 -3.912 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.814 -3.166 -9.002 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.329 -4.537 -10.810 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.366 -6.477 -10.566 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.591 -6.047 -6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.036 -8.375 -8.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.372 -7.938 -5.092 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.418 -9.087 -6.332 1.00 0.00 H new ATOM 90 N TYR A 9 3.691 -6.530 -7.532 1.00 0.00 N ATOM 91 CA TYR A 9 4.277 -7.323 -6.457 1.00 0.00 C ATOM 92 C TYR A 9 5.778 -7.075 -6.353 1.00 0.00 C ATOM 93 O TYR A 9 6.546 -7.456 -7.238 1.00 0.00 O ATOM 94 CB TYR A 9 4.010 -8.812 -6.689 1.00 0.00 C ATOM 95 CG TYR A 9 4.343 -9.679 -5.496 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.715 -9.484 -4.273 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.289 -10.693 -5.593 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.017 -10.274 -3.180 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.596 -11.488 -4.506 1.00 0.00 C ATOM 100 CZ TYR A 9 4.959 -11.275 -3.302 1.00 0.00 C ATOM 101 OH TYR A 9 5.262 -12.064 -2.217 1.00 0.00 O ATOM 0 H TYR A 9 2.935 -6.995 -8.036 1.00 0.00 H new ATOM 0 HA TYR A 9 3.811 -7.018 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.959 -8.949 -6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.593 -9.148 -7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.978 -8.701 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.792 -10.862 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.519 -10.109 -2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.332 -12.273 -4.599 1.00 0.00 H new ATOM 0 HH TYR A 9 5.944 -12.721 -2.470 1.00 0.00 H new ATOM 111 N HIS A 10 6.191 -6.431 -5.265 1.00 0.00 N ATOM 112 CA HIS A 10 7.601 -6.132 -5.043 1.00 0.00 C ATOM 113 C HIS A 10 8.271 -7.240 -4.235 1.00 0.00 C ATOM 114 O HIS A 10 9.278 -7.807 -4.657 1.00 0.00 O ATOM 115 CB HIS A 10 7.752 -4.794 -4.319 1.00 0.00 C ATOM 116 CG HIS A 10 7.860 -3.622 -5.245 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.060 -3.012 -5.550 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.911 -2.947 -5.934 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.842 -2.013 -6.386 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.546 -1.952 -6.635 1.00 0.00 N ATOM 0 H HIS A 10 5.569 -6.107 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 10 8.091 -6.068 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.896 -4.648 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.639 -4.830 -3.687 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.972 -3.289 -5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.851 -3.153 -5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.595 -1.357 -6.796 1.00 0.00 H new ATOM 129 N GLY A 11 7.705 -7.541 -3.070 1.00 0.00 N ATOM 130 CA GLY A 11 8.261 -8.579 -2.221 1.00 0.00 C ATOM 131 C GLY A 11 8.639 -8.063 -0.847 1.00 0.00 C ATOM 132 O GLY A 11 7.930 -7.239 -0.269 1.00 0.00 O ATOM 0 H GLY A 11 6.872 -7.085 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.535 -9.386 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.142 -9.004 -2.701 1.00 0.00 H new ATOM 136 N HIS A 12 9.759 -8.549 -0.321 1.00 0.00 N ATOM 137 CA HIS A 12 10.229 -8.133 0.995 1.00 0.00 C ATOM 138 C HIS A 12 10.523 -6.636 1.019 1.00 0.00 C ATOM 139 O HIS A 12 11.260 -6.125 0.177 1.00 0.00 O ATOM 140 CB HIS A 12 11.483 -8.917 1.384 1.00 0.00 C ATOM 141 CG HIS A 12 12.018 -8.560 2.736 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.586 -7.337 3.023 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.066 -9.273 3.885 1.00 0.00 C ATOM 144 CE1 HIS A 12 12.963 -7.313 4.288 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.658 -8.477 4.835 1.00 0.00 N ATOM 0 H HIS A 12 10.358 -9.231 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 12 9.440 -8.342 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.256 -9.983 1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.258 -8.741 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.706 -10.281 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.439 -6.484 4.790 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.834 -8.741 5.804 1.00 0.00 H new ATOM 154 N MET A 13 9.938 -5.939 1.989 1.00 0.00 N ATOM 155 CA MET A 13 10.138 -4.500 2.121 1.00 0.00 C ATOM 156 C MET A 13 9.499 -3.979 3.405 1.00 0.00 C ATOM 157 O MET A 13 8.440 -4.450 3.817 1.00 0.00 O ATOM 158 CB MET A 13 9.553 -3.769 0.912 1.00 0.00 C ATOM 159 CG MET A 13 9.762 -2.264 0.952 1.00 0.00 C ATOM 160 SD MET A 13 8.684 -1.381 -0.193 1.00 0.00 S ATOM 161 CE MET A 13 9.235 -2.049 -1.760 1.00 0.00 C ATOM 0 H MET A 13 9.323 -6.347 2.693 1.00 0.00 H new ATOM 0 HA MET A 13 11.210 -4.309 2.166 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.006 -4.166 0.004 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.485 -3.978 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.583 -1.903 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.801 -2.039 0.713 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.972 -1.360 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.316 -2.184 -1.738 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.753 -3.011 -1.935 1.00 0.00 H new ATOM 171 N SER A 14 10.151 -3.005 4.031 1.00 0.00 N ATOM 172 CA SER A 14 9.649 -2.423 5.270 1.00 0.00 C ATOM 173 C SER A 14 9.109 -1.016 5.030 1.00 0.00 C ATOM 174 O SER A 14 9.549 -0.317 4.118 1.00 0.00 O ATOM 175 CB SER A 14 10.757 -2.382 6.325 1.00 0.00 C ATOM 176 OG SER A 14 11.864 -1.622 5.873 1.00 0.00 O ATOM 0 H SER A 14 11.028 -2.602 3.701 1.00 0.00 H new ATOM 0 HA SER A 14 8.834 -3.050 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.369 -1.951 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.079 -3.397 6.558 1.00 0.00 H new ATOM 0 HG SER A 14 12.557 -1.610 6.566 1.00 0.00 H new ATOM 182 N GLY A 15 8.150 -0.608 5.856 1.00 0.00 N ATOM 183 CA GLY A 15 7.564 0.712 5.717 1.00 0.00 C ATOM 184 C GLY A 15 8.596 1.773 5.388 1.00 0.00 C ATOM 185 O GLY A 15 8.361 2.637 4.543 1.00 0.00 O ATOM 0 H GLY A 15 7.769 -1.168 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.808 0.690 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.055 0.979 6.643 1.00 0.00 H new ATOM 189 N GLY A 16 9.743 1.709 6.058 1.00 0.00 N ATOM 190 CA GLY A 16 10.796 2.678 5.819 1.00 0.00 C ATOM 191 C GLY A 16 11.241 2.708 4.370 1.00 0.00 C ATOM 192 O GLY A 16 11.551 3.770 3.832 1.00 0.00 O ATOM 0 H GLY A 16 9.961 1.004 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.446 3.669 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.651 2.444 6.453 1.00 0.00 H new ATOM 196 N GLN A 17 11.271 1.538 3.739 1.00 0.00 N ATOM 197 CA GLN A 17 11.683 1.435 2.344 1.00 0.00 C ATOM 198 C GLN A 17 10.534 1.797 1.409 1.00 0.00 C ATOM 199 O GLN A 17 10.753 2.316 0.314 1.00 0.00 O ATOM 200 CB GLN A 17 12.177 0.019 2.041 1.00 0.00 C ATOM 201 CG GLN A 17 12.720 -0.147 0.630 1.00 0.00 C ATOM 202 CD GLN A 17 14.199 0.176 0.533 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.942 0.034 1.505 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.634 0.612 -0.643 1.00 0.00 N ATOM 0 H GLN A 17 11.015 0.650 4.171 1.00 0.00 H new ATOM 0 HA GLN A 17 12.497 2.140 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.957 -0.245 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.357 -0.683 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.553 -1.172 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.165 0.502 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.983 0.715 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.619 0.844 -0.768 1.00 0.00 H new ATOM 213 N ALA A 18 9.310 1.520 1.848 1.00 0.00 N ATOM 214 CA ALA A 18 8.128 1.820 1.050 1.00 0.00 C ATOM 215 C ALA A 18 7.939 3.324 0.892 1.00 0.00 C ATOM 216 O ALA A 18 8.008 3.854 -0.217 1.00 0.00 O ATOM 217 CB ALA A 18 6.894 1.194 1.682 1.00 0.00 C ATOM 0 H ALA A 18 9.112 1.089 2.751 1.00 0.00 H new ATOM 0 HA ALA A 18 8.271 1.393 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.018 1.425 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.022 0.113 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.757 1.594 2.686 1.00 0.00 H new ATOM 223 N GLU A 19 7.698 4.006 2.007 1.00 0.00 N ATOM 224 CA GLU A 19 7.497 5.450 1.989 1.00 0.00 C ATOM 225 C GLU A 19 8.561 6.138 1.139 1.00 0.00 C ATOM 226 O GLU A 19 8.273 7.089 0.411 1.00 0.00 O ATOM 227 CB GLU A 19 7.528 6.010 3.413 1.00 0.00 C ATOM 228 CG GLU A 19 6.165 6.040 4.085 1.00 0.00 C ATOM 229 CD GLU A 19 6.147 6.907 5.330 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.134 6.866 6.095 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.147 7.625 5.538 1.00 0.00 O ATOM 0 H GLU A 19 7.637 3.583 2.933 1.00 0.00 H new ATOM 0 HA GLU A 19 6.520 5.648 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.208 5.409 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.934 7.021 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.423 6.411 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.872 5.024 4.350 1.00 0.00 H new ATOM 238 N THR A 20 9.794 5.651 1.236 1.00 0.00 N ATOM 239 CA THR A 20 10.902 6.218 0.477 1.00 0.00 C ATOM 240 C THR A 20 10.759 5.919 -1.011 1.00 0.00 C ATOM 241 O THR A 20 10.645 6.833 -1.829 1.00 0.00 O ATOM 242 CB THR A 20 12.256 5.675 0.971 1.00 0.00 C ATOM 243 OG1 THR A 20 12.395 5.907 2.377 1.00 0.00 O ATOM 244 CG2 THR A 20 13.407 6.334 0.227 1.00 0.00 C ATOM 0 H THR A 20 10.051 4.865 1.833 1.00 0.00 H new ATOM 0 HA THR A 20 10.873 7.297 0.632 1.00 0.00 H new ATOM 0 HB THR A 20 12.284 4.603 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.188 5.084 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.353 5.935 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.315 6.130 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.379 7.411 0.394 1.00 0.00 H new ATOM 252 N LEU A 21 10.767 4.637 -1.355 1.00 0.00 N ATOM 253 CA LEU A 21 10.637 4.218 -2.747 1.00 0.00 C ATOM 254 C LEU A 21 9.477 4.938 -3.427 1.00 0.00 C ATOM 255 O LEU A 21 9.669 5.654 -4.412 1.00 0.00 O ATOM 256 CB LEU A 21 10.430 2.704 -2.827 1.00 0.00 C ATOM 257 CG LEU A 21 11.643 1.840 -2.480 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.219 0.401 -2.230 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.680 1.908 -3.590 1.00 0.00 C ATOM 0 H LEU A 21 10.862 3.869 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 21 11.558 4.481 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.613 2.434 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.109 2.455 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 21 12.093 2.228 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.095 -0.199 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.513 0.369 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.745 0.001 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.536 1.287 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.242 1.546 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.006 2.940 -3.720 1.00 0.00 H new ATOM 271 N LEU A 22 8.275 4.746 -2.894 1.00 0.00 N ATOM 272 CA LEU A 22 7.084 5.380 -3.448 1.00 0.00 C ATOM 273 C LEU A 22 7.330 6.861 -3.720 1.00 0.00 C ATOM 274 O LEU A 22 7.351 7.295 -4.872 1.00 0.00 O ATOM 275 CB LEU A 22 5.902 5.216 -2.490 1.00 0.00 C ATOM 276 CG LEU A 22 5.116 3.910 -2.613 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.192 3.730 -1.419 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.325 3.883 -3.912 1.00 0.00 C ATOM 0 H LEU A 22 8.100 4.157 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 22 6.849 4.890 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.274 5.299 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.214 6.047 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 22 5.824 3.082 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.641 2.796 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.782 3.703 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.490 4.562 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.772 2.946 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.626 4.719 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.009 3.964 -4.756 1.00 0.00 H new ATOM 290 N GLN A 23 7.519 7.629 -2.652 1.00 0.00 N ATOM 291 CA GLN A 23 7.766 9.061 -2.776 1.00 0.00 C ATOM 292 C GLN A 23 8.866 9.338 -3.797 1.00 0.00 C ATOM 293 O GLN A 23 8.871 10.381 -4.449 1.00 0.00 O ATOM 294 CB GLN A 23 8.153 9.653 -1.420 1.00 0.00 C ATOM 295 CG GLN A 23 7.038 9.588 -0.388 1.00 0.00 C ATOM 296 CD GLN A 23 7.523 9.898 1.015 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.666 9.609 1.367 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.653 10.491 1.824 1.00 0.00 N ATOM 0 H GLN A 23 7.506 7.284 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 23 6.847 9.533 -3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.024 9.122 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.449 10.693 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.253 10.294 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.592 8.594 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.715 10.713 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.923 10.725 2.779 1.00 0.00 H new ATOM 307 N ALA A 24 9.794 8.396 -3.928 1.00 0.00 N ATOM 308 CA ALA A 24 10.898 8.538 -4.870 1.00 0.00 C ATOM 309 C ALA A 24 10.390 8.578 -6.307 1.00 0.00 C ATOM 310 O ALA A 24 10.836 9.397 -7.111 1.00 0.00 O ATOM 311 CB ALA A 24 11.893 7.401 -4.692 1.00 0.00 C ATOM 0 H ALA A 24 9.804 7.527 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 24 11.401 9.482 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.712 7.520 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.288 7.419 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.393 6.449 -4.871 1.00 0.00 H new ATOM 317 N LYS A 25 9.456 7.689 -6.626 1.00 0.00 N ATOM 318 CA LYS A 25 8.886 7.623 -7.966 1.00 0.00 C ATOM 319 C LYS A 25 8.373 8.990 -8.407 1.00 0.00 C ATOM 320 O LYS A 25 8.707 9.468 -9.491 1.00 0.00 O ATOM 321 CB LYS A 25 7.748 6.601 -8.009 1.00 0.00 C ATOM 322 CG LYS A 25 7.644 5.861 -9.332 1.00 0.00 C ATOM 323 CD LYS A 25 7.202 6.785 -10.454 1.00 0.00 C ATOM 324 CE LYS A 25 7.492 6.182 -11.820 1.00 0.00 C ATOM 325 NZ LYS A 25 7.670 7.229 -12.864 1.00 0.00 N ATOM 0 H LYS A 25 9.077 7.003 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 25 9.672 7.311 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.891 5.876 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.805 7.111 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.610 5.421 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.935 5.039 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.134 6.985 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.715 7.742 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.392 5.570 -11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.674 5.520 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.287 6.887 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.166 8.093 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.682 7.440 -12.975 1.00 0.00 H new ATOM 339 N GLY A 26 7.561 9.614 -7.560 1.00 0.00 N ATOM 340 CA GLY A 26 7.017 10.921 -7.880 1.00 0.00 C ATOM 341 C GLY A 26 5.653 10.836 -8.537 1.00 0.00 C ATOM 342 O GLY A 26 5.080 11.853 -8.925 1.00 0.00 O ATOM 0 H GLY A 26 7.270 9.238 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.941 11.513 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.705 11.445 -8.544 1.00 0.00 H new ATOM 346 N GLU A 27 5.133 9.619 -8.661 1.00 0.00 N ATOM 347 CA GLU A 27 3.828 9.406 -9.277 1.00 0.00 C ATOM 348 C GLU A 27 2.763 9.142 -8.217 1.00 0.00 C ATOM 349 O GLU A 27 2.856 8.204 -7.426 1.00 0.00 O ATOM 350 CB GLU A 27 3.888 8.233 -10.257 1.00 0.00 C ATOM 351 CG GLU A 27 4.744 8.508 -11.484 1.00 0.00 C ATOM 352 CD GLU A 27 4.074 9.456 -12.461 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.829 9.553 -12.434 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.795 10.100 -13.252 1.00 0.00 O ATOM 0 H GLU A 27 5.594 8.766 -8.344 1.00 0.00 H new ATOM 0 HA GLU A 27 3.559 10.312 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.280 7.358 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.876 7.986 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.698 8.931 -11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.963 7.567 -11.988 1.00 0.00 H new ATOM 361 N PRO A 28 1.725 9.992 -8.199 1.00 0.00 N ATOM 362 CA PRO A 28 0.621 9.872 -7.242 1.00 0.00 C ATOM 363 C PRO A 28 -0.254 8.654 -7.515 1.00 0.00 C ATOM 364 O PRO A 28 -0.238 8.100 -8.614 1.00 0.00 O ATOM 365 CB PRO A 28 -0.177 11.161 -7.456 1.00 0.00 C ATOM 366 CG PRO A 28 0.131 11.568 -8.857 1.00 0.00 C ATOM 367 CD PRO A 28 1.548 11.133 -9.112 1.00 0.00 C ATOM 0 HA PRO A 28 0.980 9.741 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.245 10.993 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.119 11.933 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.555 11.096 -9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.025 12.645 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.698 10.842 -10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.258 11.932 -8.899 1.00 0.00 H new ATOM 375 N TRP A 29 -1.017 8.241 -6.509 1.00 0.00 N ATOM 376 CA TRP A 29 -1.899 7.088 -6.642 1.00 0.00 C ATOM 377 C TRP A 29 -1.109 5.838 -7.016 1.00 0.00 C ATOM 378 O TRP A 29 -1.600 4.976 -7.747 1.00 0.00 O ATOM 379 CB TRP A 29 -2.974 7.360 -7.695 1.00 0.00 C ATOM 380 CG TRP A 29 -3.741 8.625 -7.449 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.971 9.631 -8.342 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.374 9.018 -6.226 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.710 10.626 -7.749 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.971 10.274 -6.451 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.497 8.430 -4.963 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.677 10.950 -5.461 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.198 9.103 -3.982 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.782 10.352 -4.235 1.00 0.00 C ATOM 0 H TRP A 29 -1.042 8.688 -5.592 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.379 6.917 -5.679 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.505 7.413 -8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.669 6.521 -7.719 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.623 9.643 -9.364 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.015 11.488 -8.202 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.052 7.467 -4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.126 11.913 -5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.298 8.659 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.325 10.852 -3.447 1.00 0.00 H new ATOM 399 N THR A 30 0.117 5.745 -6.510 1.00 0.00 N ATOM 400 CA THR A 30 0.975 4.601 -6.793 1.00 0.00 C ATOM 401 C THR A 30 0.947 3.597 -5.646 1.00 0.00 C ATOM 402 O THR A 30 1.370 3.901 -4.531 1.00 0.00 O ATOM 403 CB THR A 30 2.430 5.039 -7.042 1.00 0.00 C ATOM 404 OG1 THR A 30 2.506 5.838 -8.227 1.00 0.00 O ATOM 405 CG2 THR A 30 3.343 3.829 -7.180 1.00 0.00 C ATOM 0 H THR A 30 0.538 6.448 -5.902 1.00 0.00 H new ATOM 0 HA THR A 30 0.586 4.129 -7.695 1.00 0.00 H new ATOM 0 HB THR A 30 2.760 5.628 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.003 6.661 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.366 4.163 -7.355 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.306 3.239 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.012 3.217 -8.019 1.00 0.00 H new ATOM 413 N PHE A 31 0.447 2.399 -5.928 1.00 0.00 N ATOM 414 CA PHE A 31 0.363 1.348 -4.919 1.00 0.00 C ATOM 415 C PHE A 31 1.435 0.287 -5.151 1.00 0.00 C ATOM 416 O PHE A 31 1.860 0.053 -6.282 1.00 0.00 O ATOM 417 CB PHE A 31 -1.023 0.703 -4.938 1.00 0.00 C ATOM 418 CG PHE A 31 -1.176 -0.359 -5.989 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.261 -0.019 -7.330 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.236 -1.698 -5.637 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.401 -0.993 -8.300 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.375 -2.677 -6.603 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.460 -2.324 -7.935 1.00 0.00 C ATOM 0 H PHE A 31 0.094 2.131 -6.847 1.00 0.00 H new ATOM 0 HA PHE A 31 0.530 1.801 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.225 0.267 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.773 1.477 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.217 1.020 -7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.173 -1.980 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.464 -0.714 -9.341 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.417 -3.717 -6.316 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.572 -3.087 -8.691 1.00 0.00 H new ATOM 433 N LEU A 32 1.866 -0.354 -4.070 1.00 0.00 N ATOM 434 CA LEU A 32 2.889 -1.391 -4.153 1.00 0.00 C ATOM 435 C LEU A 32 2.686 -2.444 -3.066 1.00 0.00 C ATOM 436 O LEU A 32 2.523 -2.114 -1.891 1.00 0.00 O ATOM 437 CB LEU A 32 4.282 -0.773 -4.027 1.00 0.00 C ATOM 438 CG LEU A 32 4.837 -0.652 -2.607 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.519 -1.944 -2.188 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.804 0.520 -2.511 1.00 0.00 C ATOM 0 H LEU A 32 1.523 -0.174 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 32 2.801 -1.877 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.977 -1.370 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.258 0.222 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 32 4.005 -0.468 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.907 -1.838 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.799 -2.762 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.341 -2.160 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.189 0.591 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.632 0.366 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.284 1.443 -2.768 1.00 0.00 H new ATOM 452 N VAL A 33 2.700 -3.711 -3.467 1.00 0.00 N ATOM 453 CA VAL A 33 2.522 -4.811 -2.527 1.00 0.00 C ATOM 454 C VAL A 33 3.866 -5.343 -2.042 1.00 0.00 C ATOM 455 O VAL A 33 4.806 -5.487 -2.823 1.00 0.00 O ATOM 456 CB VAL A 33 1.724 -5.966 -3.161 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.547 -7.102 -2.165 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.376 -5.470 -3.663 1.00 0.00 C ATOM 0 H VAL A 33 2.833 -4.001 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 33 1.964 -4.415 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 33 2.285 -6.347 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.981 -7.909 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.525 -7.474 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.008 -6.738 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.174 -6.299 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.195 -5.061 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.530 -4.693 -4.412 1.00 0.00 H new ATOM 468 N ARG A 34 3.949 -5.634 -0.748 1.00 0.00 N ATOM 469 CA ARG A 34 5.178 -6.149 -0.158 1.00 0.00 C ATOM 470 C ARG A 34 4.871 -7.082 1.010 1.00 0.00 C ATOM 471 O ARG A 34 3.770 -7.062 1.560 1.00 0.00 O ATOM 472 CB ARG A 34 6.064 -4.995 0.317 1.00 0.00 C ATOM 473 CG ARG A 34 5.468 -4.203 1.469 1.00 0.00 C ATOM 474 CD ARG A 34 6.317 -2.989 1.809 1.00 0.00 C ATOM 475 NE ARG A 34 5.626 -2.071 2.710 1.00 0.00 N ATOM 476 CZ ARG A 34 5.586 -2.227 4.029 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.195 -3.259 4.596 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.936 -1.350 4.782 1.00 0.00 N ATOM 0 H ARG A 34 3.179 -5.522 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 34 5.709 -6.715 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.031 -5.393 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.247 -4.321 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.460 -3.881 1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.381 -4.844 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.249 -3.316 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.583 -2.464 0.891 1.00 0.00 H new ATOM 0 HE ARG A 34 5.148 -1.266 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.696 -3.935 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.163 -3.377 5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.466 -0.555 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.906 -1.470 5.794 1.00 0.00 H new ATOM 492 N GLU A 35 5.852 -7.897 1.383 1.00 0.00 N ATOM 493 CA GLU A 35 5.685 -8.838 2.485 1.00 0.00 C ATOM 494 C GLU A 35 5.652 -8.107 3.824 1.00 0.00 C ATOM 495 O GLU A 35 6.259 -7.048 3.981 1.00 0.00 O ATOM 496 CB GLU A 35 6.817 -9.868 2.482 1.00 0.00 C ATOM 497 CG GLU A 35 6.540 -11.074 1.601 1.00 0.00 C ATOM 498 CD GLU A 35 6.806 -10.799 0.134 1.00 0.00 C ATOM 499 OE1 GLU A 35 6.037 -10.027 -0.475 1.00 0.00 O ATOM 500 OE2 GLU A 35 7.784 -11.357 -0.405 1.00 0.00 O ATOM 0 H GLU A 35 6.770 -7.925 0.939 1.00 0.00 H new ATOM 0 HA GLU A 35 4.734 -9.353 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.735 -9.386 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.991 -10.207 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.160 -11.908 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.501 -11.380 1.727 1.00 0.00 H new ATOM 507 N SER A 36 4.935 -8.680 4.786 1.00 0.00 N ATOM 508 CA SER A 36 4.817 -8.082 6.111 1.00 0.00 C ATOM 509 C SER A 36 6.137 -8.182 6.871 1.00 0.00 C ATOM 510 O SER A 36 7.126 -8.702 6.355 1.00 0.00 O ATOM 511 CB SER A 36 3.705 -8.767 6.907 1.00 0.00 C ATOM 512 OG SER A 36 2.448 -8.168 6.645 1.00 0.00 O ATOM 0 H SER A 36 4.427 -9.557 4.673 1.00 0.00 H new ATOM 0 HA SER A 36 4.568 -7.028 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.668 -9.825 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.926 -8.706 7.973 1.00 0.00 H new ATOM 0 HG SER A 36 1.935 -8.107 7.478 1.00 0.00 H new ATOM 518 N LEU A 37 6.143 -7.678 8.100 1.00 0.00 N ATOM 519 CA LEU A 37 7.340 -7.710 8.933 1.00 0.00 C ATOM 520 C LEU A 37 7.031 -8.291 10.309 1.00 0.00 C ATOM 521 O LEU A 37 7.728 -9.187 10.786 1.00 0.00 O ATOM 522 CB LEU A 37 7.920 -6.301 9.082 1.00 0.00 C ATOM 523 CG LEU A 37 8.856 -5.839 7.965 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.085 -6.732 7.896 1.00 0.00 C ATOM 525 CD2 LEU A 37 8.127 -5.828 6.628 1.00 0.00 C ATOM 0 H LEU A 37 5.333 -7.243 8.542 1.00 0.00 H new ATOM 0 HA LEU A 37 8.075 -8.350 8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.093 -5.595 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.462 -6.251 10.027 1.00 0.00 H new ATOM 0 HG LEU A 37 9.182 -4.823 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.740 -6.388 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.619 -6.690 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.778 -7.759 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.809 -5.497 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.772 -6.833 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.278 -5.147 6.682 1.00 0.00 H new ATOM 537 N SER A 38 5.980 -7.779 10.941 1.00 0.00 N ATOM 538 CA SER A 38 5.579 -8.246 12.263 1.00 0.00 C ATOM 539 C SER A 38 4.670 -9.467 12.154 1.00 0.00 C ATOM 540 O SER A 38 4.645 -10.315 13.045 1.00 0.00 O ATOM 541 CB SER A 38 4.864 -7.131 13.026 1.00 0.00 C ATOM 542 OG SER A 38 5.794 -6.250 13.632 1.00 0.00 O ATOM 0 H SER A 38 5.390 -7.040 10.559 1.00 0.00 H new ATOM 0 HA SER A 38 6.478 -8.531 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.221 -6.574 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.218 -7.565 13.790 1.00 0.00 H new ATOM 0 HG SER A 38 5.312 -5.545 14.112 1.00 0.00 H new ATOM 548 N GLN A 39 3.927 -9.548 11.055 1.00 0.00 N ATOM 549 CA GLN A 39 3.015 -10.663 10.830 1.00 0.00 C ATOM 550 C GLN A 39 3.523 -11.562 9.707 1.00 0.00 C ATOM 551 O GLN A 39 3.700 -11.132 8.568 1.00 0.00 O ATOM 552 CB GLN A 39 1.616 -10.147 10.493 1.00 0.00 C ATOM 553 CG GLN A 39 1.099 -9.107 11.474 1.00 0.00 C ATOM 554 CD GLN A 39 -0.414 -9.003 11.471 1.00 0.00 C ATOM 555 OE1 GLN A 39 -0.990 -8.182 10.757 1.00 0.00 O ATOM 556 NE2 GLN A 39 -1.066 -9.839 12.271 1.00 0.00 N ATOM 0 H GLN A 39 3.939 -8.855 10.307 1.00 0.00 H new ATOM 0 HA GLN A 39 2.965 -11.250 11.747 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.628 -9.716 9.492 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.923 -10.988 10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.440 -9.359 12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.527 -8.135 11.227 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.548 -10.503 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.085 -9.817 12.311 1.00 0.00 H new ATOM 565 N PRO A 40 3.764 -12.840 10.034 1.00 0.00 N ATOM 566 CA PRO A 40 4.254 -13.826 9.066 1.00 0.00 C ATOM 567 C PRO A 40 3.201 -14.189 8.025 1.00 0.00 C ATOM 568 O PRO A 40 2.081 -14.567 8.365 1.00 0.00 O ATOM 569 CB PRO A 40 4.587 -15.042 9.936 1.00 0.00 C ATOM 570 CG PRO A 40 3.714 -14.900 11.135 1.00 0.00 C ATOM 571 CD PRO A 40 3.575 -13.422 11.374 1.00 0.00 C ATOM 0 HA PRO A 40 5.101 -13.449 8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.386 -15.974 9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.641 -15.054 10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.741 -15.361 10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.155 -15.395 12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.598 -13.172 11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.321 -13.057 12.079 1.00 0.00 H new ATOM 579 N GLY A 41 3.570 -14.071 6.752 1.00 0.00 N ATOM 580 CA GLY A 41 2.646 -14.391 5.679 1.00 0.00 C ATOM 581 C GLY A 41 1.868 -13.180 5.205 1.00 0.00 C ATOM 582 O GLY A 41 1.736 -12.951 4.002 1.00 0.00 O ATOM 0 H GLY A 41 4.492 -13.760 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.200 -14.814 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.949 -15.156 6.020 1.00 0.00 H new ATOM 586 N ASP A 42 1.352 -12.402 6.150 1.00 0.00 N ATOM 587 CA ASP A 42 0.582 -11.208 5.822 1.00 0.00 C ATOM 588 C ASP A 42 1.344 -10.323 4.842 1.00 0.00 C ATOM 589 O ASP A 42 2.424 -10.683 4.375 1.00 0.00 O ATOM 590 CB ASP A 42 0.255 -10.422 7.092 1.00 0.00 C ATOM 591 CG ASP A 42 -0.710 -11.161 7.999 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.493 -12.367 8.238 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.682 -10.534 8.469 1.00 0.00 O ATOM 0 H ASP A 42 1.453 -12.577 7.150 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.349 -11.523 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.177 -10.218 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.174 -9.458 6.819 1.00 0.00 H new ATOM 598 N PHE A 43 0.774 -9.162 4.534 1.00 0.00 N ATOM 599 CA PHE A 43 1.400 -8.225 3.608 1.00 0.00 C ATOM 600 C PHE A 43 0.996 -6.790 3.932 1.00 0.00 C ATOM 601 O PHE A 43 -0.005 -6.552 4.607 1.00 0.00 O ATOM 602 CB PHE A 43 1.010 -8.564 2.167 1.00 0.00 C ATOM 603 CG PHE A 43 1.505 -9.906 1.712 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.743 -11.046 1.914 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.734 -10.030 1.084 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.195 -12.283 1.496 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.192 -11.265 0.663 1.00 0.00 C ATOM 608 CZ PHE A 43 2.422 -12.392 0.870 1.00 0.00 C ATOM 0 H PHE A 43 -0.120 -8.848 4.912 1.00 0.00 H new ATOM 0 HA PHE A 43 2.481 -8.312 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.076 -8.537 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.404 -7.796 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.216 -10.966 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.341 -9.152 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.590 -13.163 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.151 -11.348 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.778 -13.358 0.543 1.00 0.00 H new ATOM 618 N VAL A 44 1.784 -5.836 3.445 1.00 0.00 N ATOM 619 CA VAL A 44 1.510 -4.424 3.681 1.00 0.00 C ATOM 620 C VAL A 44 1.215 -3.695 2.375 1.00 0.00 C ATOM 621 O VAL A 44 2.008 -3.741 1.433 1.00 0.00 O ATOM 622 CB VAL A 44 2.692 -3.734 4.387 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.371 -2.270 4.658 1.00 0.00 C ATOM 624 CG2 VAL A 44 3.040 -4.459 5.677 1.00 0.00 C ATOM 0 H VAL A 44 2.617 -6.016 2.885 1.00 0.00 H new ATOM 0 HA VAL A 44 0.633 -4.375 4.326 1.00 0.00 H new ATOM 0 HB VAL A 44 3.560 -3.776 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.217 -1.798 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.176 -1.760 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.490 -2.203 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.877 -3.957 6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.177 -4.451 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.315 -5.489 5.452 1.00 0.00 H new ATOM 634 N LEU A 45 0.072 -3.021 2.325 1.00 0.00 N ATOM 635 CA LEU A 45 -0.328 -2.280 1.133 1.00 0.00 C ATOM 636 C LEU A 45 0.071 -0.813 1.244 1.00 0.00 C ATOM 637 O LEU A 45 -0.497 -0.063 2.040 1.00 0.00 O ATOM 638 CB LEU A 45 -1.839 -2.396 0.921 1.00 0.00 C ATOM 639 CG LEU A 45 -2.322 -2.294 -0.527 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.211 -0.862 -1.027 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.531 -3.236 -1.421 1.00 0.00 C ATOM 0 H LEU A 45 -0.595 -2.972 3.095 1.00 0.00 H new ATOM 0 HA LEU A 45 0.188 -2.713 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.171 -3.351 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.329 -1.615 1.503 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.371 -2.589 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.559 -0.809 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.823 -0.210 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.171 -0.539 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.888 -3.150 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.474 -2.973 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.663 -4.262 -1.076 1.00 0.00 H new ATOM 653 N SER A 46 1.050 -0.408 0.441 1.00 0.00 N ATOM 654 CA SER A 46 1.526 0.970 0.452 1.00 0.00 C ATOM 655 C SER A 46 1.076 1.709 -0.806 1.00 0.00 C ATOM 656 O SER A 46 1.271 1.232 -1.923 1.00 0.00 O ATOM 657 CB SER A 46 3.052 1.004 0.558 1.00 0.00 C ATOM 658 OG SER A 46 3.524 -0.004 1.435 1.00 0.00 O ATOM 0 H SER A 46 1.529 -1.014 -0.225 1.00 0.00 H new ATOM 0 HA SER A 46 1.097 1.470 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.492 0.866 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.373 1.982 0.916 1.00 0.00 H new ATOM 0 HG SER A 46 4.015 0.410 2.175 1.00 0.00 H new ATOM 664 N VAL A 47 0.473 2.877 -0.614 1.00 0.00 N ATOM 665 CA VAL A 47 -0.004 3.684 -1.730 1.00 0.00 C ATOM 666 C VAL A 47 0.405 5.144 -1.567 1.00 0.00 C ATOM 667 O VAL A 47 0.424 5.675 -0.457 1.00 0.00 O ATOM 668 CB VAL A 47 -1.536 3.605 -1.866 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.970 4.002 -3.269 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.028 2.207 -1.523 1.00 0.00 C ATOM 0 H VAL A 47 0.303 3.286 0.305 1.00 0.00 H new ATOM 0 HA VAL A 47 0.455 3.279 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.983 4.307 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.056 3.940 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.650 5.024 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.516 3.327 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.113 2.168 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.574 1.485 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.750 1.965 -0.497 1.00 0.00 H new ATOM 680 N LEU A 48 0.733 5.788 -2.682 1.00 0.00 N ATOM 681 CA LEU A 48 1.142 7.189 -2.664 1.00 0.00 C ATOM 682 C LEU A 48 -0.026 8.101 -3.024 1.00 0.00 C ATOM 683 O LEU A 48 -0.671 7.924 -4.057 1.00 0.00 O ATOM 684 CB LEU A 48 2.299 7.414 -3.640 1.00 0.00 C ATOM 685 CG LEU A 48 3.001 8.770 -3.545 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.689 8.923 -2.197 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.003 8.931 -4.679 1.00 0.00 C ATOM 0 H LEU A 48 0.724 5.363 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 48 1.472 7.434 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.040 6.631 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.921 7.293 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 48 2.249 9.554 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.183 9.894 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.948 8.852 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.430 8.133 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.493 9.901 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.751 8.140 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.484 8.867 -5.635 1.00 0.00 H new ATOM 699 N SER A 49 -0.291 9.080 -2.165 1.00 0.00 N ATOM 700 CA SER A 49 -1.382 10.021 -2.390 1.00 0.00 C ATOM 701 C SER A 49 -0.950 11.138 -3.336 1.00 0.00 C ATOM 702 O SER A 49 0.223 11.242 -3.696 1.00 0.00 O ATOM 703 CB SER A 49 -1.855 10.615 -1.062 1.00 0.00 C ATOM 704 OG SER A 49 -0.967 11.625 -0.612 1.00 0.00 O ATOM 0 H SER A 49 0.235 9.242 -1.306 1.00 0.00 H new ATOM 0 HA SER A 49 -2.208 9.478 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.855 11.032 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.926 9.827 -0.312 1.00 0.00 H new ATOM 0 HG SER A 49 -0.184 11.210 -0.195 1.00 0.00 H new ATOM 710 N ASP A 50 -1.906 11.970 -3.732 1.00 0.00 N ATOM 711 CA ASP A 50 -1.625 13.081 -4.636 1.00 0.00 C ATOM 712 C ASP A 50 -1.551 14.398 -3.870 1.00 0.00 C ATOM 713 O ASP A 50 -1.917 15.451 -4.391 1.00 0.00 O ATOM 714 CB ASP A 50 -2.700 13.167 -5.720 1.00 0.00 C ATOM 715 CG ASP A 50 -2.505 14.361 -6.635 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.339 14.706 -6.919 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.518 14.952 -7.064 1.00 0.00 O ATOM 0 H ASP A 50 -2.881 11.897 -3.442 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.659 12.900 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.688 12.253 -6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.682 13.229 -5.250 1.00 0.00 H new ATOM 722 N GLN A 51 -1.076 14.330 -2.630 1.00 0.00 N ATOM 723 CA GLN A 51 -0.957 15.518 -1.793 1.00 0.00 C ATOM 724 C GLN A 51 0.294 15.445 -0.923 1.00 0.00 C ATOM 725 O GLN A 51 0.566 14.440 -0.266 1.00 0.00 O ATOM 726 CB GLN A 51 -2.196 15.674 -0.911 1.00 0.00 C ATOM 727 CG GLN A 51 -3.495 15.751 -1.697 1.00 0.00 C ATOM 728 CD GLN A 51 -3.873 17.173 -2.063 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.774 17.762 -1.465 1.00 0.00 O ATOM 730 NE2 GLN A 51 -3.184 17.733 -3.051 1.00 0.00 N ATOM 0 H GLN A 51 -0.768 13.466 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.875 16.386 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.248 14.833 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.092 16.576 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.400 15.159 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.298 15.306 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.445 17.208 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.394 18.688 -3.342 1.00 0.00 H new ATOM 739 N PRO A 52 1.075 16.536 -0.915 1.00 0.00 N ATOM 740 CA PRO A 52 2.309 16.621 -0.129 1.00 0.00 C ATOM 741 C PRO A 52 2.039 16.685 1.371 1.00 0.00 C ATOM 742 O PRO A 52 1.061 17.289 1.810 1.00 0.00 O ATOM 743 CB PRO A 52 2.948 17.925 -0.613 1.00 0.00 C ATOM 744 CG PRO A 52 1.808 18.746 -1.108 1.00 0.00 C ATOM 745 CD PRO A 52 0.811 17.771 -1.673 1.00 0.00 C ATOM 0 HA PRO A 52 2.941 15.743 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.478 18.430 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.675 17.740 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.368 19.330 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.138 19.453 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.213 18.117 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.955 17.624 -2.743 1.00 0.00 H new ATOM 753 N LYS A 53 2.911 16.057 2.151 1.00 0.00 N ATOM 754 CA LYS A 53 2.769 16.043 3.602 1.00 0.00 C ATOM 755 C LYS A 53 3.045 17.424 4.189 1.00 0.00 C ATOM 756 O LYS A 53 2.438 17.817 5.185 1.00 0.00 O ATOM 757 CB LYS A 53 3.720 15.015 4.219 1.00 0.00 C ATOM 758 CG LYS A 53 5.186 15.301 3.942 1.00 0.00 C ATOM 759 CD LYS A 53 6.054 14.085 4.224 1.00 0.00 C ATOM 760 CE LYS A 53 6.175 13.822 5.717 1.00 0.00 C ATOM 761 NZ LYS A 53 7.254 14.637 6.338 1.00 0.00 N ATOM 0 H LYS A 53 3.725 15.550 1.802 1.00 0.00 H new ATOM 0 HA LYS A 53 1.742 15.766 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.561 14.986 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.472 14.026 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.309 15.603 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.517 16.137 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.628 13.210 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.046 14.238 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.225 14.046 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.377 12.764 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.304 14.429 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.164 14.405 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.048 15.647 6.201 1.00 0.00 H new ATOM 775 N ALA A 54 3.963 18.155 3.565 1.00 0.00 N ATOM 776 CA ALA A 54 4.316 19.492 4.024 1.00 0.00 C ATOM 777 C ALA A 54 3.877 20.551 3.018 1.00 0.00 C ATOM 778 O ALA A 54 3.332 20.231 1.962 1.00 0.00 O ATOM 779 CB ALA A 54 5.815 19.587 4.272 1.00 0.00 C ATOM 0 H ALA A 54 4.476 17.843 2.740 1.00 0.00 H new ATOM 0 HA ALA A 54 3.791 19.678 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.064 20.591 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.105 18.862 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.351 19.376 3.347 1.00 0.00 H new ATOM 785 N GLY A 55 4.116 21.815 3.354 1.00 0.00 N ATOM 786 CA GLY A 55 3.738 22.903 2.470 1.00 0.00 C ATOM 787 C GLY A 55 4.638 23.001 1.254 1.00 0.00 C ATOM 788 O GLY A 55 4.188 22.903 0.113 1.00 0.00 O ATOM 0 H GLY A 55 4.565 22.105 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.707 22.762 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.772 23.843 3.021 1.00 0.00 H new ATOM 792 N PRO A 56 5.942 23.203 1.494 1.00 0.00 N ATOM 793 CA PRO A 56 6.934 23.320 0.422 1.00 0.00 C ATOM 794 C PRO A 56 7.171 21.996 -0.298 1.00 0.00 C ATOM 795 O PRO A 56 6.441 21.028 -0.091 1.00 0.00 O ATOM 796 CB PRO A 56 8.201 23.762 1.158 1.00 0.00 C ATOM 797 CG PRO A 56 8.024 23.262 2.550 1.00 0.00 C ATOM 798 CD PRO A 56 6.548 23.330 2.829 1.00 0.00 C ATOM 0 HA PRO A 56 6.612 24.012 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.094 23.341 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.313 24.846 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.393 22.241 2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.584 23.873 3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.227 22.528 3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.272 24.270 3.308 1.00 0.00 H new ATOM 806 N GLY A 57 8.195 21.963 -1.144 1.00 0.00 N ATOM 807 CA GLY A 57 8.509 20.753 -1.881 1.00 0.00 C ATOM 808 C GLY A 57 8.676 19.549 -0.975 1.00 0.00 C ATOM 809 O GLY A 57 9.766 19.295 -0.463 1.00 0.00 O ATOM 0 H GLY A 57 8.813 22.752 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.716 20.554 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.426 20.906 -2.450 1.00 0.00 H new ATOM 813 N SER A 58 7.591 18.806 -0.775 1.00 0.00 N ATOM 814 CA SER A 58 7.621 17.625 0.080 1.00 0.00 C ATOM 815 C SER A 58 7.039 16.415 -0.645 1.00 0.00 C ATOM 816 O SER A 58 6.222 16.539 -1.557 1.00 0.00 O ATOM 817 CB SER A 58 6.841 17.884 1.370 1.00 0.00 C ATOM 818 OG SER A 58 5.523 18.321 1.090 1.00 0.00 O ATOM 0 H SER A 58 6.681 19.001 -1.193 1.00 0.00 H new ATOM 0 HA SER A 58 8.661 17.413 0.329 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.806 16.973 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.358 18.636 1.966 1.00 0.00 H new ATOM 0 HG SER A 58 5.553 19.213 0.686 1.00 0.00 H new ATOM 824 N PRO A 59 7.471 15.214 -0.231 1.00 0.00 N ATOM 825 CA PRO A 59 7.006 13.958 -0.826 1.00 0.00 C ATOM 826 C PRO A 59 5.550 13.660 -0.487 1.00 0.00 C ATOM 827 O PRO A 59 5.116 13.840 0.651 1.00 0.00 O ATOM 828 CB PRO A 59 7.927 12.907 -0.198 1.00 0.00 C ATOM 829 CG PRO A 59 8.365 13.510 1.092 1.00 0.00 C ATOM 830 CD PRO A 59 8.445 14.992 0.851 1.00 0.00 C ATOM 0 HA PRO A 59 7.045 13.984 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.402 11.966 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.778 12.690 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.658 13.282 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.332 13.112 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.188 15.559 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.449 15.298 0.557 1.00 0.00 H new ATOM 838 N LEU A 60 4.798 13.204 -1.483 1.00 0.00 N ATOM 839 CA LEU A 60 3.389 12.880 -1.291 1.00 0.00 C ATOM 840 C LEU A 60 3.204 11.924 -0.117 1.00 0.00 C ATOM 841 O LEU A 60 3.962 10.966 0.040 1.00 0.00 O ATOM 842 CB LEU A 60 2.809 12.261 -2.564 1.00 0.00 C ATOM 843 CG LEU A 60 2.750 13.176 -3.788 1.00 0.00 C ATOM 844 CD1 LEU A 60 2.438 12.372 -5.041 1.00 0.00 C ATOM 845 CD2 LEU A 60 1.716 14.273 -3.585 1.00 0.00 C ATOM 0 H LEU A 60 5.141 13.050 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 60 2.857 13.805 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.402 11.383 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.799 11.912 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 60 3.726 13.644 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.400 13.040 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.215 11.624 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.475 11.875 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.688 14.914 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.735 13.824 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.983 14.868 -2.712 1.00 0.00 H new ATOM 857 N ARG A 61 2.192 12.187 0.701 1.00 0.00 N ATOM 858 CA ARG A 61 1.908 11.349 1.860 1.00 0.00 C ATOM 859 C ARG A 61 1.599 9.917 1.433 1.00 0.00 C ATOM 860 O ARG A 61 0.945 9.690 0.415 1.00 0.00 O ATOM 861 CB ARG A 61 0.731 11.921 2.654 1.00 0.00 C ATOM 862 CG ARG A 61 0.254 11.013 3.775 1.00 0.00 C ATOM 863 CD ARG A 61 -0.591 11.773 4.786 1.00 0.00 C ATOM 864 NE ARG A 61 -1.316 10.873 5.680 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.758 10.265 6.719 1.00 0.00 C ATOM 866 NH1 ARG A 61 0.525 10.457 6.996 1.00 0.00 N ATOM 867 NH2 ARG A 61 -1.483 9.460 7.487 1.00 0.00 N ATOM 0 H ARG A 61 1.554 12.974 0.583 1.00 0.00 H new ATOM 0 HA ARG A 61 2.794 11.338 2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.022 12.883 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.099 12.109 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.328 10.192 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.114 10.571 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.050 12.429 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.301 12.410 4.259 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.305 10.703 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.087 11.074 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.950 9.988 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.470 9.309 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.053 8.993 8.285 1.00 0.00 H new ATOM 881 N VAL A 62 2.074 8.956 2.218 1.00 0.00 N ATOM 882 CA VAL A 62 1.848 7.547 1.921 1.00 0.00 C ATOM 883 C VAL A 62 0.810 6.946 2.862 1.00 0.00 C ATOM 884 O VAL A 62 0.531 7.494 3.928 1.00 0.00 O ATOM 885 CB VAL A 62 3.154 6.734 2.029 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.905 5.275 1.679 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.227 7.330 1.131 1.00 0.00 C ATOM 0 H VAL A 62 2.617 9.127 3.064 1.00 0.00 H new ATOM 0 HA VAL A 62 1.479 7.495 0.897 1.00 0.00 H new ATOM 0 HB VAL A 62 3.507 6.781 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.838 4.717 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.170 4.856 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.528 5.205 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.142 6.744 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.885 7.315 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.424 8.359 1.433 1.00 0.00 H new ATOM 897 N THR A 63 0.239 5.814 2.460 1.00 0.00 N ATOM 898 CA THR A 63 -0.769 5.139 3.266 1.00 0.00 C ATOM 899 C THR A 63 -0.510 3.638 3.328 1.00 0.00 C ATOM 900 O THR A 63 -0.486 2.960 2.301 1.00 0.00 O ATOM 901 CB THR A 63 -2.186 5.381 2.712 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.445 6.787 2.624 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.234 4.722 3.598 1.00 0.00 C ATOM 0 H THR A 63 0.458 5.346 1.581 1.00 0.00 H new ATOM 0 HA THR A 63 -0.702 5.558 4.270 1.00 0.00 H new ATOM 0 HB THR A 63 -2.243 4.938 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.347 6.932 2.270 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.226 4.907 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.052 3.648 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.175 5.139 4.603 1.00 0.00 H new ATOM 911 N HIS A 64 -0.317 3.125 4.538 1.00 0.00 N ATOM 912 CA HIS A 64 -0.060 1.703 4.734 1.00 0.00 C ATOM 913 C HIS A 64 -1.305 0.993 5.258 1.00 0.00 C ATOM 914 O HIS A 64 -1.836 1.348 6.310 1.00 0.00 O ATOM 915 CB HIS A 64 1.103 1.501 5.705 1.00 0.00 C ATOM 916 CG HIS A 64 2.296 2.355 5.398 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.080 2.176 4.278 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.834 3.399 6.069 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.051 3.071 4.276 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.924 3.826 5.352 1.00 0.00 N ATOM 0 H HIS A 64 -0.334 3.673 5.398 1.00 0.00 H new ATOM 0 HA HIS A 64 0.204 1.271 3.769 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.762 1.718 6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.402 0.453 5.687 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.933 1.464 3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.473 3.819 6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.818 3.169 3.522 1.00 0.00 H new ATOM 929 N ILE A 65 -1.764 -0.011 4.518 1.00 0.00 N ATOM 930 CA ILE A 65 -2.945 -0.769 4.909 1.00 0.00 C ATOM 931 C ILE A 65 -2.603 -2.238 5.142 1.00 0.00 C ATOM 932 O ILE A 65 -2.352 -2.985 4.197 1.00 0.00 O ATOM 933 CB ILE A 65 -4.053 -0.675 3.844 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.439 0.786 3.606 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.268 -1.487 4.268 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.112 1.025 2.273 1.00 0.00 C ATOM 0 H ILE A 65 -1.336 -0.318 3.645 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.308 -0.330 5.838 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.673 -1.088 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.106 1.111 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.543 1.404 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.042 -1.410 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.983 -2.532 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.651 -1.102 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.357 2.082 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.439 0.731 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.026 0.434 2.216 1.00 0.00 H new ATOM 948 N LYS A 66 -2.597 -2.644 6.407 1.00 0.00 N ATOM 949 CA LYS A 66 -2.290 -4.023 6.766 1.00 0.00 C ATOM 950 C LYS A 66 -3.230 -4.992 6.057 1.00 0.00 C ATOM 951 O LYS A 66 -4.436 -4.996 6.304 1.00 0.00 O ATOM 952 CB LYS A 66 -2.393 -4.213 8.281 1.00 0.00 C ATOM 953 CG LYS A 66 -1.301 -3.497 9.059 1.00 0.00 C ATOM 954 CD LYS A 66 -1.025 -4.180 10.387 1.00 0.00 C ATOM 955 CE LYS A 66 -0.128 -3.330 11.275 1.00 0.00 C ATOM 956 NZ LYS A 66 -0.869 -2.191 11.884 1.00 0.00 N ATOM 0 H LYS A 66 -2.801 -2.037 7.201 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.269 -4.236 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.365 -3.852 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.351 -5.278 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.387 -3.471 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.597 -2.463 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.967 -4.375 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.553 -5.146 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.295 -3.951 12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.707 -2.948 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.279 -1.335 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.749 -2.027 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.097 -2.415 12.874 1.00 0.00 H new ATOM 970 N VAL A 67 -2.670 -5.816 5.176 1.00 0.00 N ATOM 971 CA VAL A 67 -3.458 -6.791 4.433 1.00 0.00 C ATOM 972 C VAL A 67 -3.494 -8.134 5.155 1.00 0.00 C ATOM 973 O VAL A 67 -2.488 -8.839 5.225 1.00 0.00 O ATOM 974 CB VAL A 67 -2.900 -7.000 3.013 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.710 -8.053 2.271 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.890 -5.686 2.247 1.00 0.00 C ATOM 0 H VAL A 67 -1.673 -5.827 4.960 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.470 -6.392 4.363 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.873 -7.356 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.301 -8.187 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.661 -8.998 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.748 -7.729 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.493 -5.852 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.907 -5.299 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.264 -4.964 2.771 1.00 0.00 H new ATOM 986 N MET A 68 -4.660 -8.480 5.692 1.00 0.00 N ATOM 987 CA MET A 68 -4.826 -9.740 6.408 1.00 0.00 C ATOM 988 C MET A 68 -4.950 -10.907 5.434 1.00 0.00 C ATOM 989 O MET A 68 -5.798 -10.895 4.541 1.00 0.00 O ATOM 990 CB MET A 68 -6.061 -9.679 7.309 1.00 0.00 C ATOM 991 CG MET A 68 -5.900 -8.748 8.499 1.00 0.00 C ATOM 992 SD MET A 68 -7.392 -8.642 9.506 1.00 0.00 S ATOM 993 CE MET A 68 -8.134 -7.147 8.855 1.00 0.00 C ATOM 0 H MET A 68 -5.502 -7.907 5.645 1.00 0.00 H new ATOM 0 HA MET A 68 -3.942 -9.898 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.917 -9.354 6.717 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.286 -10.682 7.671 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.073 -9.096 9.118 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.635 -7.752 8.143 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.069 -6.947 9.379 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.451 -6.310 8.998 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.334 -7.274 7.791 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.100 -11.912 5.611 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.114 -13.087 4.746 1.00 0.00 C ATOM 1005 C CYS A 69 -4.409 -14.350 5.549 1.00 0.00 C ATOM 1006 O CYS A 69 -3.665 -14.701 6.465 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.774 -13.229 4.022 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.644 -14.711 2.995 1.00 0.00 S ATOM 0 H CYS A 69 -3.392 -11.937 6.345 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.905 -12.955 4.008 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.617 -12.351 3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.973 -13.241 4.761 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.718 -14.834 2.273 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.499 -15.026 5.200 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.892 -16.248 5.891 1.00 0.00 C ATOM 1016 C GLU A 70 -5.885 -17.440 4.937 1.00 0.00 C ATOM 1017 O GLU A 70 -6.841 -17.661 4.195 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.283 -16.085 6.509 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.409 -14.871 7.413 1.00 0.00 C ATOM 1020 CD GLU A 70 -6.658 -15.034 8.720 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.221 -15.644 9.654 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -5.510 -14.553 8.809 1.00 0.00 O ATOM 0 H GLU A 70 -6.125 -14.748 4.444 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.168 -16.435 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.020 -16.010 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.524 -16.981 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.032 -13.993 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.463 -14.688 7.624 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.796 -18.202 4.961 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.682 -19.361 4.094 1.00 0.00 C ATOM 1031 C GLY A 71 -4.229 -18.995 2.694 1.00 0.00 C ATOM 1032 O GLY A 71 -3.032 -18.940 2.417 1.00 0.00 O ATOM 0 H GLY A 71 -3.991 -18.038 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.975 -20.068 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.646 -19.867 4.040 1.00 0.00 H new ATOM 1036 N GLY A 72 -5.189 -18.746 1.809 1.00 0.00 N ATOM 1037 CA GLY A 72 -4.862 -18.388 0.440 1.00 0.00 C ATOM 1038 C GLY A 72 -5.680 -17.216 -0.064 1.00 0.00 C ATOM 1039 O GLY A 72 -5.852 -17.044 -1.270 1.00 0.00 O ATOM 0 H GLY A 72 -6.187 -18.786 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.802 -18.142 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.029 -19.249 -0.207 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.186 -16.408 0.862 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.992 -15.248 0.504 1.00 0.00 C ATOM 1045 C ARG A 73 -6.438 -13.981 1.148 1.00 0.00 C ATOM 1046 O ARG A 73 -5.436 -14.022 1.863 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.446 -15.457 0.935 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.079 -16.711 0.354 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.793 -17.930 1.216 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.791 -18.105 2.266 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.007 -18.595 2.050 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.371 -18.957 0.827 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.861 -18.724 3.057 1.00 0.00 N ATOM 0 H ARG A 73 -6.052 -16.536 1.865 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.954 -15.132 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.490 -15.509 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.034 -14.590 0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.156 -16.570 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.698 -16.879 -0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.768 -18.820 0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.806 -17.831 1.667 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.541 -17.836 3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.717 -18.859 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.305 -19.333 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.585 -18.447 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.794 -19.100 2.889 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.095 -12.855 0.890 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.667 -11.575 1.442 1.00 0.00 C ATOM 1069 C TYR A 74 -7.868 -10.723 1.838 1.00 0.00 C ATOM 1070 O TYR A 74 -8.930 -10.797 1.219 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.806 -10.822 0.427 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.552 -11.566 0.026 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.380 -11.441 0.763 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.539 -12.394 -1.089 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.232 -12.118 0.400 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.395 -13.077 -1.459 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.245 -12.935 -0.712 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.104 -13.613 -1.076 1.00 0.00 O ATOM 0 H TYR A 74 -7.927 -12.803 0.302 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.075 -11.773 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.401 -10.623 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.526 -9.856 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.367 -10.803 1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.438 -12.506 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.330 -12.009 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.402 -13.718 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.371 -13.368 -0.473 1.00 0.00 H new ATOM 1088 N THR A 75 -7.693 -9.912 2.877 1.00 0.00 N ATOM 1089 CA THR A 75 -8.761 -9.044 3.357 1.00 0.00 C ATOM 1090 C THR A 75 -8.196 -7.803 4.039 1.00 0.00 C ATOM 1091 O THR A 75 -7.015 -7.752 4.379 1.00 0.00 O ATOM 1092 CB THR A 75 -9.682 -9.784 4.347 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.896 -9.047 4.529 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.993 -9.976 5.689 1.00 0.00 C ATOM 0 H THR A 75 -6.822 -9.838 3.402 1.00 0.00 H new ATOM 0 HA THR A 75 -9.341 -8.744 2.485 1.00 0.00 H new ATOM 0 HB THR A 75 -9.911 -10.765 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.141 -9.050 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.663 -10.500 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.084 -10.562 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.737 -9.003 6.109 1.00 0.00 H new ATOM 1102 N VAL A 76 -9.049 -6.801 4.234 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.635 -5.559 4.876 1.00 0.00 C ATOM 1104 C VAL A 76 -9.800 -4.906 5.611 1.00 0.00 C ATOM 1105 O VAL A 76 -10.760 -4.447 4.992 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.065 -4.561 3.850 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.644 -4.945 3.465 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.959 -4.489 2.623 1.00 0.00 C ATOM 0 H VAL A 76 -10.030 -6.826 3.957 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.856 -5.817 5.593 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.037 -3.572 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.257 -4.229 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.012 -4.939 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.643 -5.943 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.541 -3.779 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.022 -5.474 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.956 -4.162 2.918 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.709 -4.868 6.937 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.762 -4.268 7.736 1.00 0.00 C ATOM 1120 C GLY A 77 -11.989 -5.152 7.836 1.00 0.00 C ATOM 1121 O GLY A 77 -12.478 -5.425 8.930 1.00 0.00 O ATOM 0 H GLY A 77 -8.925 -5.242 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.383 -4.064 8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.043 -3.309 7.300 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.488 -5.601 6.688 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.662 -6.454 6.673 1.00 0.00 C ATOM 1127 C GLY A 78 -13.312 -7.920 6.514 1.00 0.00 C ATOM 1128 O GLY A 78 -12.138 -8.293 6.540 1.00 0.00 O ATOM 0 H GLY A 78 -12.100 -5.389 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.220 -6.315 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.318 -6.150 5.857 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.332 -8.756 6.351 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.127 -10.191 6.189 1.00 0.00 C ATOM 1134 C LEU A 79 -13.883 -10.545 4.725 1.00 0.00 C ATOM 1135 O LEU A 79 -13.213 -11.530 4.419 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.338 -10.962 6.716 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.630 -10.813 5.914 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.705 -11.867 4.821 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.841 -10.905 6.831 1.00 0.00 C ATOM 0 H LEU A 79 -15.309 -8.465 6.328 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.245 -10.474 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.080 -12.020 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.530 -10.641 7.740 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.631 -9.830 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.632 -11.745 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.856 -11.753 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.681 -12.860 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.752 -10.797 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.845 -11.873 7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.794 -10.111 7.576 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.430 -9.732 3.827 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.270 -9.959 2.395 1.00 0.00 C ATOM 1153 C GLU A 80 -12.885 -10.520 2.085 1.00 0.00 C ATOM 1154 O GLU A 80 -11.901 -9.781 2.025 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.490 -8.658 1.621 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.948 -8.384 1.292 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.394 -9.061 0.011 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -16.311 -10.305 -0.064 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.825 -8.347 -0.918 1.00 0.00 O ATOM 0 H GLU A 80 -14.987 -8.911 4.065 1.00 0.00 H new ATOM 0 HA GLU A 80 -15.017 -10.689 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.096 -7.827 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.918 -8.696 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.573 -8.727 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.100 -7.308 1.202 1.00 0.00 H new ATOM 1166 N THR A 81 -12.815 -11.833 1.888 1.00 0.00 N ATOM 1167 CA THR A 81 -11.552 -12.495 1.586 1.00 0.00 C ATOM 1168 C THR A 81 -11.420 -12.771 0.093 1.00 0.00 C ATOM 1169 O THR A 81 -12.013 -13.715 -0.429 1.00 0.00 O ATOM 1170 CB THR A 81 -11.414 -13.822 2.357 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.586 -14.621 2.168 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.201 -13.565 3.841 1.00 0.00 C ATOM 0 H THR A 81 -13.619 -12.459 1.932 1.00 0.00 H new ATOM 0 HA THR A 81 -10.757 -11.818 1.899 1.00 0.00 H new ATOM 0 HB THR A 81 -10.546 -14.355 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.846 -14.603 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.106 -14.516 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.292 -12.981 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.052 -13.014 4.241 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.636 -11.943 -0.591 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.427 -12.099 -2.025 1.00 0.00 C ATOM 1182 C PHE A 82 -9.575 -13.330 -2.320 1.00 0.00 C ATOM 1183 O PHE A 82 -8.759 -13.745 -1.497 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.757 -10.851 -2.602 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.477 -9.575 -2.271 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.283 -8.951 -1.049 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.349 -9.000 -3.182 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.944 -7.778 -0.741 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.013 -7.827 -2.879 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.812 -7.216 -1.658 1.00 0.00 C ATOM 0 H PHE A 82 -10.136 -11.158 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.401 -12.232 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.736 -10.790 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.692 -10.951 -3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.607 -9.387 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.511 -9.474 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.783 -7.301 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.689 -7.388 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.332 -6.300 -1.419 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.771 -13.909 -3.499 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.021 -15.093 -3.904 1.00 0.00 C ATOM 1202 C ASP A 83 -7.519 -14.831 -3.845 1.00 0.00 C ATOM 1203 O ASP A 83 -6.753 -15.663 -3.358 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.421 -15.517 -5.318 1.00 0.00 C ATOM 1205 CG ASP A 83 -9.575 -14.337 -6.255 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.547 -13.852 -6.774 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -10.724 -13.898 -6.473 1.00 0.00 O ATOM 0 H ASP A 83 -10.443 -13.578 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.259 -15.899 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.669 -16.198 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.360 -16.069 -5.277 1.00 0.00 H new ATOM 1212 N SER A 84 -7.106 -13.671 -4.344 1.00 0.00 N ATOM 1213 CA SER A 84 -5.695 -13.302 -4.353 1.00 0.00 C ATOM 1214 C SER A 84 -5.530 -11.786 -4.401 1.00 0.00 C ATOM 1215 O SER A 84 -6.452 -11.061 -4.778 1.00 0.00 O ATOM 1216 CB SER A 84 -4.985 -13.941 -5.548 1.00 0.00 C ATOM 1217 OG SER A 84 -4.513 -15.238 -5.225 1.00 0.00 O ATOM 0 H SER A 84 -7.728 -12.970 -4.747 1.00 0.00 H new ATOM 0 HA SER A 84 -5.244 -13.671 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.670 -14.000 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.150 -13.313 -5.858 1.00 0.00 H new ATOM 0 HG SER A 84 -5.095 -15.638 -4.545 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.350 -11.312 -4.018 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.062 -9.882 -4.018 1.00 0.00 C ATOM 1225 C LEU A 85 -4.419 -9.254 -5.361 1.00 0.00 C ATOM 1226 O LEU A 85 -4.800 -8.085 -5.431 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.585 -9.639 -3.704 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.230 -9.474 -2.226 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.816 -9.965 -1.958 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.382 -8.021 -1.800 1.00 0.00 C ATOM 0 H LEU A 85 -3.576 -11.897 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.673 -9.414 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.007 -10.472 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.264 -8.743 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.920 -10.079 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.581 -9.839 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.740 -11.019 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.111 -9.389 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.125 -7.922 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.717 -7.396 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.413 -7.703 -1.954 1.00 0.00 H new ATOM 1242 N THR A 86 -4.295 -10.039 -6.427 1.00 0.00 N ATOM 1243 CA THR A 86 -4.606 -9.562 -7.768 1.00 0.00 C ATOM 1244 C THR A 86 -6.043 -9.063 -7.855 1.00 0.00 C ATOM 1245 O THR A 86 -6.318 -8.039 -8.481 1.00 0.00 O ATOM 1246 CB THR A 86 -4.393 -10.665 -8.821 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.025 -11.091 -8.814 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.768 -10.168 -10.209 1.00 0.00 C ATOM 0 H THR A 86 -3.981 -11.009 -6.387 1.00 0.00 H new ATOM 0 HA THR A 86 -3.925 -8.737 -7.975 1.00 0.00 H new ATOM 0 HB THR A 86 -5.037 -11.507 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.898 -11.794 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.609 -10.965 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.817 -9.872 -10.218 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.147 -9.311 -10.469 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.957 -9.792 -7.223 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.368 -9.421 -7.228 1.00 0.00 C ATOM 1258 C ASP A 87 -8.643 -8.319 -6.209 1.00 0.00 C ATOM 1259 O ASP A 87 -9.239 -7.292 -6.536 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.237 -10.642 -6.926 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.624 -10.528 -7.529 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.724 -10.172 -8.721 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.609 -10.794 -6.808 1.00 0.00 O ATOM 0 H ASP A 87 -6.746 -10.643 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.617 -9.043 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.748 -11.537 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.322 -10.766 -5.846 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.208 -8.540 -4.974 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.408 -7.566 -3.907 1.00 0.00 C ATOM 1270 C LEU A 88 -7.955 -6.177 -4.345 1.00 0.00 C ATOM 1271 O LEU A 88 -8.580 -5.172 -4.004 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.646 -7.992 -2.652 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.713 -7.028 -1.466 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.632 -7.791 -0.153 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.600 -5.995 -1.554 1.00 0.00 C ATOM 0 H LEU A 88 -7.714 -9.385 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.474 -7.525 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.029 -8.960 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.599 -8.136 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.669 -6.506 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.681 -7.089 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.465 -8.491 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.692 -8.341 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.664 -5.318 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.634 -6.500 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.704 -5.426 -2.478 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.865 -6.127 -5.104 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.330 -4.862 -5.592 1.00 0.00 C ATOM 1289 C VAL A 89 -7.133 -4.348 -6.782 1.00 0.00 C ATOM 1290 O VAL A 89 -7.430 -3.158 -6.874 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.852 -4.999 -6.004 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.356 -3.715 -6.650 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.997 -5.367 -4.802 1.00 0.00 C ATOM 0 H VAL A 89 -6.335 -6.949 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.406 -4.149 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.770 -5.800 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.310 -3.831 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.952 -3.501 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.450 -2.892 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.956 -5.460 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.082 -4.589 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.339 -6.316 -4.389 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.481 -5.254 -7.690 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.249 -4.892 -8.875 1.00 0.00 C ATOM 1305 C GLU A 90 -9.610 -4.320 -8.487 1.00 0.00 C ATOM 1306 O GLU A 90 -10.190 -3.517 -9.219 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.436 -6.109 -9.782 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.307 -6.304 -10.781 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.665 -7.283 -11.882 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.957 -8.454 -11.563 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -7.652 -6.877 -13.063 1.00 0.00 O ATOM 0 H GLU A 90 -7.243 -6.244 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.692 -4.127 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.521 -7.003 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.376 -6.006 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.049 -5.342 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.421 -6.661 -10.257 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.113 -4.739 -7.330 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.406 -4.268 -6.844 1.00 0.00 C ATOM 1320 C HIS A 91 -11.307 -2.832 -6.339 1.00 0.00 C ATOM 1321 O HIS A 91 -12.240 -2.044 -6.491 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.916 -5.179 -5.727 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.407 -5.167 -5.578 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.176 -6.310 -5.607 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.269 -4.140 -5.396 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.447 -5.988 -5.451 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.531 -4.676 -5.321 1.00 0.00 N ATOM 0 H HIS A 91 -9.646 -5.403 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.110 -4.294 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.587 -6.199 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.462 -4.873 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.012 -3.093 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.277 -6.679 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.393 -4.147 -5.187 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.169 -2.498 -5.738 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.949 -1.158 -5.210 1.00 0.00 C ATOM 1338 C PHE A 92 -9.407 -0.228 -6.292 1.00 0.00 C ATOM 1339 O PHE A 92 -9.587 0.988 -6.230 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.977 -1.205 -4.028 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.538 -1.895 -2.818 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.815 -1.604 -2.368 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.788 -2.835 -2.129 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.335 -2.237 -1.254 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.302 -3.471 -1.015 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.577 -3.171 -0.576 1.00 0.00 C ATOM 0 H PHE A 92 -9.386 -3.138 -5.605 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.908 -0.768 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.065 -1.716 -4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.696 -0.187 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.412 -0.874 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.790 -3.073 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.333 -2.001 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.707 -4.202 -0.488 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.980 -3.666 0.295 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.739 -0.810 -7.281 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.170 -0.037 -8.379 1.00 0.00 C ATOM 1358 C LYS A 93 -9.265 0.667 -9.174 1.00 0.00 C ATOM 1359 O LYS A 93 -9.005 1.641 -9.881 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.358 -0.947 -9.304 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.982 -1.293 -8.762 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.306 -2.364 -9.602 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.242 -1.965 -11.068 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.455 -0.717 -11.269 1.00 0.00 N ATOM 0 H LYS A 93 -8.578 -1.815 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.511 0.720 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.915 -1.869 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.246 -0.460 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.361 -0.397 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.072 -1.639 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.298 -2.539 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.850 -3.303 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.794 -2.774 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.253 -1.822 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.349 -0.534 -12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.951 0.081 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.515 -0.826 -10.837 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.491 0.169 -9.053 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.626 0.751 -9.758 1.00 0.00 C ATOM 1380 C LYS A 94 -12.487 1.581 -8.811 1.00 0.00 C ATOM 1381 O LYS A 94 -12.970 2.654 -9.173 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.473 -0.349 -10.400 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.864 -1.458 -9.437 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.942 -2.353 -10.024 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.624 -3.182 -8.947 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.316 -4.371 -9.519 1.00 0.00 N ATOM 0 H LYS A 94 -10.724 -0.637 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.239 1.406 -10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.378 0.096 -10.814 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.920 -0.782 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.986 -2.056 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.221 -1.022 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.684 -1.742 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.501 -3.015 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.884 -3.509 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.346 -2.563 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.769 -4.911 -8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.040 -4.058 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.623 -4.975 -10.006 1.00 0.00 H new ATOM 1400 N THR A 95 -12.673 1.079 -7.594 1.00 0.00 N ATOM 1401 CA THR A 95 -13.475 1.774 -6.595 1.00 0.00 C ATOM 1402 C THR A 95 -12.597 2.616 -5.675 1.00 0.00 C ATOM 1403 O THR A 95 -12.870 3.793 -5.447 1.00 0.00 O ATOM 1404 CB THR A 95 -14.292 0.785 -5.743 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.414 -0.025 -4.955 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.155 -0.104 -6.625 1.00 0.00 C ATOM 0 H THR A 95 -12.279 0.193 -7.277 1.00 0.00 H new ATOM 0 HA THR A 95 -14.160 2.426 -7.137 1.00 0.00 H new ATOM 0 HB THR A 95 -14.944 1.359 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.019 -0.723 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.723 -0.794 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.843 0.514 -7.202 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.518 -0.670 -7.305 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.542 2.003 -5.148 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.639 2.711 -4.259 1.00 0.00 C ATOM 1416 C GLY A 96 -10.774 2.261 -2.818 1.00 0.00 C ATOM 1417 O GLY A 96 -11.744 1.595 -2.457 1.00 0.00 O ATOM 0 H GLY A 96 -11.296 1.028 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.612 2.556 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.836 3.781 -4.322 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.796 2.622 -1.994 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.809 2.250 -0.585 1.00 0.00 C ATOM 1423 C ILE A 97 -10.188 3.437 0.295 1.00 0.00 C ATOM 1424 O ILE A 97 -9.577 4.501 0.211 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.440 1.706 -0.133 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.144 0.372 -0.822 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.407 1.547 1.379 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.726 -0.112 -0.616 1.00 0.00 C ATOM 0 H ILE A 97 -8.985 3.172 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.557 1.465 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.668 2.420 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.835 -0.383 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.333 0.474 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.434 1.162 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.578 2.515 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.186 0.850 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.587 -1.062 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.029 0.624 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.539 -0.247 0.449 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.197 3.244 1.138 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.656 4.299 2.032 1.00 0.00 C ATOM 1442 C GLU A 98 -11.137 4.073 3.450 1.00 0.00 C ATOM 1443 O GLU A 98 -11.327 3.003 4.028 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.185 4.364 2.041 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.745 5.408 2.991 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.260 5.450 2.984 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.881 4.428 2.625 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.826 6.507 3.336 1.00 0.00 O ATOM 0 H GLU A 98 -11.712 2.367 1.220 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.263 5.247 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.537 4.578 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.580 3.386 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.396 5.198 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.357 6.389 2.717 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.483 5.089 4.004 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.936 5.001 5.353 1.00 0.00 C ATOM 1457 C GLU A 99 -10.998 5.345 6.394 1.00 0.00 C ATOM 1458 O GLU A 99 -11.868 6.182 6.155 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.737 5.939 5.504 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.447 5.373 4.935 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.419 6.448 4.639 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.892 7.045 5.601 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.141 6.691 3.446 1.00 0.00 O ATOM 0 H GLU A 99 -10.319 5.982 3.540 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.608 3.975 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.960 6.883 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.591 6.162 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.026 4.657 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.668 4.825 4.019 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.921 4.690 7.548 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.873 4.926 8.626 1.00 0.00 C ATOM 1472 C ALA A 100 -12.104 6.419 8.837 1.00 0.00 C ATOM 1473 O ALA A 100 -13.193 6.838 9.228 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.385 4.279 9.913 1.00 0.00 C ATOM 0 H ALA A 100 -10.209 3.991 7.760 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.824 4.474 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.106 4.464 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.278 3.205 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.421 4.704 10.191 1.00 0.00 H new ATOM 1480 N SER A 101 -11.072 7.215 8.577 1.00 0.00 N ATOM 1481 CA SER A 101 -11.162 8.660 8.743 1.00 0.00 C ATOM 1482 C SER A 101 -11.938 9.293 7.591 1.00 0.00 C ATOM 1483 O SER A 101 -12.738 10.206 7.794 1.00 0.00 O ATOM 1484 CB SER A 101 -9.763 9.273 8.826 1.00 0.00 C ATOM 1485 OG SER A 101 -9.791 10.519 9.502 1.00 0.00 O ATOM 0 H SER A 101 -10.164 6.883 8.251 1.00 0.00 H new ATOM 0 HA SER A 101 -11.696 8.861 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.093 8.589 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.362 9.410 7.822 1.00 0.00 H new ATOM 0 HG SER A 101 -8.885 10.889 9.543 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.695 8.800 6.380 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.378 9.327 5.213 1.00 0.00 C ATOM 1493 C GLY A 102 -11.501 9.323 3.978 1.00 0.00 C ATOM 1494 O GLY A 102 -11.994 9.179 2.859 1.00 0.00 O ATOM 0 H GLY A 102 -11.037 8.045 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.273 8.735 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.707 10.346 5.418 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.197 9.482 4.179 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.249 9.496 3.071 1.00 0.00 C ATOM 1500 C ALA A 103 -9.596 8.428 2.039 1.00 0.00 C ATOM 1501 O ALA A 103 -10.001 7.320 2.390 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.833 9.295 3.586 1.00 0.00 C ATOM 0 H ALA A 103 -9.773 9.603 5.099 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.311 10.469 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.136 9.308 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.581 10.097 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.765 8.336 4.100 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.435 8.769 0.765 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.732 7.839 -0.318 1.00 0.00 C ATOM 1510 C PHE A 104 -8.479 7.538 -1.137 1.00 0.00 C ATOM 1511 O PHE A 104 -8.039 8.358 -1.943 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.822 8.412 -1.226 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.214 8.047 -0.796 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.898 8.830 0.120 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.838 6.920 -1.306 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.179 8.498 0.518 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.120 6.583 -0.911 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.789 7.371 0.003 1.00 0.00 C ATOM 0 H PHE A 104 -9.101 9.682 0.457 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.088 6.908 0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.731 9.498 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.660 8.057 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.424 9.711 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.318 6.298 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.702 9.119 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.597 5.704 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.789 7.107 0.315 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.909 6.356 -0.922 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.708 5.946 -1.639 1.00 0.00 C ATOM 1530 C VAL A 105 -7.058 5.302 -2.976 1.00 0.00 C ATOM 1531 O VAL A 105 -7.905 4.411 -3.044 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.869 4.956 -0.809 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.537 4.682 -1.490 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.657 5.489 0.600 1.00 0.00 C ATOM 0 H VAL A 105 -8.260 5.666 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.122 6.848 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.414 4.015 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.958 3.981 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.714 4.254 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.982 5.615 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.062 4.777 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.134 6.444 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.623 5.628 1.085 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.401 5.759 -4.036 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.644 5.227 -5.373 1.00 0.00 C ATOM 1546 C TYR A 106 -5.388 4.568 -5.934 1.00 0.00 C ATOM 1547 O TYR A 106 -4.298 5.140 -5.888 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.111 6.343 -6.309 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.245 7.171 -5.749 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.433 6.574 -5.348 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.127 8.549 -5.618 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.473 7.327 -4.836 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.160 9.309 -5.106 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.331 8.694 -4.716 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.364 9.447 -4.205 1.00 0.00 O ATOM 0 H TYR A 106 -5.697 6.496 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.426 4.471 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.268 6.998 -6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.427 5.903 -7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.546 5.504 -5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.211 9.034 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.392 6.848 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.051 10.379 -5.012 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.102 10.391 -4.186 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.549 3.361 -6.464 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.428 2.621 -7.036 1.00 0.00 C ATOM 1567 C LEU A 107 -4.556 2.528 -8.553 1.00 0.00 C ATOM 1568 O LEU A 107 -5.428 1.828 -9.071 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.357 1.218 -6.431 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.774 1.096 -4.965 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.275 0.876 -4.854 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.015 -0.034 -4.286 1.00 0.00 C ATOM 0 H LEU A 107 -6.444 2.873 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.510 3.159 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.989 0.556 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.334 0.854 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.526 2.028 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.554 0.791 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.800 1.719 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.548 -0.041 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.325 -0.106 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.231 -0.974 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.945 0.167 -4.333 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.681 3.234 -9.260 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.694 3.230 -10.718 1.00 0.00 C ATOM 1586 C ARG A 108 -2.312 2.903 -11.273 1.00 0.00 C ATOM 1587 O ARG A 108 -2.188 2.319 -12.350 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.163 4.587 -11.248 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.318 5.182 -10.463 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.928 6.372 -11.186 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.756 5.961 -12.316 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.892 5.284 -12.187 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.332 4.944 -10.984 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.590 4.945 -13.263 1.00 0.00 N ATOM 0 H ARG A 108 -2.953 3.817 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.390 2.459 -11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.325 5.284 -11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.462 4.476 -12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.082 4.421 -10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.968 5.493 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.531 6.951 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.132 7.028 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.445 6.207 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.798 5.202 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.204 4.424 -10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.255 5.204 -14.191 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.462 4.425 -13.162 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.276 3.285 -10.532 1.00 0.00 N ATOM 1609 CA GLN A 109 0.097 3.033 -10.953 1.00 0.00 C ATOM 1610 C GLN A 109 0.728 1.924 -10.117 1.00 0.00 C ATOM 1611 O GLN A 109 1.237 2.154 -9.020 1.00 0.00 O ATOM 1612 CB GLN A 109 0.930 4.312 -10.838 1.00 0.00 C ATOM 1613 CG GLN A 109 0.920 5.160 -12.100 1.00 0.00 C ATOM 1614 CD GLN A 109 1.071 6.640 -11.810 1.00 0.00 C ATOM 1615 OE1 GLN A 109 0.282 7.142 -10.866 1.00 0.00 O flip ATOM 1616 NE2 GLN A 109 1.887 7.325 -12.426 1.00 0.00 N flip ATOM 0 H GLN A 109 -1.362 3.769 -9.638 1.00 0.00 H new ATOM 0 HA GLN A 109 0.079 2.712 -11.994 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.553 4.908 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.959 4.045 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.729 4.838 -12.756 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.013 4.992 -12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.473 6.898 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.977 8.320 -12.219 1.00 0.00 H new ATOM 1625 N PRO A 110 0.693 0.693 -10.645 1.00 0.00 N ATOM 1626 CA PRO A 110 1.257 -0.477 -9.965 1.00 0.00 C ATOM 1627 C PRO A 110 2.781 -0.436 -9.908 1.00 0.00 C ATOM 1628 O PRO A 110 3.458 -0.930 -10.810 1.00 0.00 O ATOM 1629 CB PRO A 110 0.785 -1.651 -10.825 1.00 0.00 C ATOM 1630 CG PRO A 110 0.569 -1.066 -12.178 1.00 0.00 C ATOM 1631 CD PRO A 110 0.102 0.345 -11.949 1.00 0.00 C ATOM 0 HA PRO A 110 0.935 -0.538 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.530 -2.447 -10.852 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.133 -2.087 -10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.489 -1.083 -12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.173 -1.637 -12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.445 1.015 -12.737 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.986 0.410 -11.927 1.00 0.00 H new ATOM 1639 N TYR A 111 3.314 0.154 -8.845 1.00 0.00 N ATOM 1640 CA TYR A 111 4.758 0.261 -8.673 1.00 0.00 C ATOM 1641 C TYR A 111 5.436 -1.086 -8.908 1.00 0.00 C ATOM 1642 O TYR A 111 5.309 -2.007 -8.101 1.00 0.00 O ATOM 1643 CB TYR A 111 5.090 0.773 -7.271 1.00 0.00 C ATOM 1644 CG TYR A 111 6.479 1.355 -7.151 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.887 2.404 -7.966 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.386 0.856 -6.224 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.157 2.938 -7.862 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.657 1.384 -6.111 1.00 0.00 C ATOM 1649 CZ TYR A 111 9.038 2.426 -6.932 1.00 0.00 C ATOM 1650 OH TYR A 111 10.304 2.955 -6.823 1.00 0.00 O ATOM 0 H TYR A 111 2.768 0.566 -8.089 1.00 0.00 H new ATOM 0 HA TYR A 111 5.134 0.971 -9.410 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.361 1.533 -6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.986 -0.047 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.199 2.809 -8.694 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.092 0.040 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.458 3.752 -8.505 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.349 0.984 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 111 10.797 2.482 -6.120 1.00 0.00 H new ATOM 1660 N TYR A 112 6.154 -1.192 -10.020 1.00 0.00 N ATOM 1661 CA TYR A 112 6.851 -2.427 -10.364 1.00 0.00 C ATOM 1662 C TYR A 112 8.125 -2.581 -9.538 1.00 0.00 C ATOM 1663 O TYR A 112 8.647 -1.609 -8.992 1.00 0.00 O ATOM 1664 CB TYR A 112 7.191 -2.447 -11.855 1.00 0.00 C ATOM 1665 CG TYR A 112 6.087 -1.906 -12.735 1.00 0.00 C ATOM 1666 CD1 TYR A 112 6.028 -0.556 -13.059 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.103 -2.745 -13.242 1.00 0.00 C ATOM 1668 CE1 TYR A 112 5.019 -0.058 -13.861 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.092 -2.256 -14.048 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.054 -0.911 -14.353 1.00 0.00 C ATOM 1671 OH TYR A 112 3.050 -0.419 -15.155 1.00 0.00 O ATOM 0 H TYR A 112 6.269 -0.439 -10.698 1.00 0.00 H new ATOM 0 HA TYR A 112 6.189 -3.263 -10.138 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.096 -1.862 -12.021 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.414 -3.471 -12.155 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.783 0.115 -12.678 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.128 -3.798 -13.002 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.986 0.994 -14.101 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.336 -2.923 -14.437 1.00 0.00 H new ATOM 0 HH TYR A 112 2.453 -1.151 -15.418 1.00 0.00 H new ATOM 1681 N SER A 113 8.622 -3.811 -9.454 1.00 0.00 N ATOM 1682 CA SER A 113 9.834 -4.096 -8.694 1.00 0.00 C ATOM 1683 C SER A 113 10.828 -2.944 -8.805 1.00 0.00 C ATOM 1684 O SER A 113 11.340 -2.452 -7.800 1.00 0.00 O ATOM 1685 CB SER A 113 10.480 -5.391 -9.188 1.00 0.00 C ATOM 1686 OG SER A 113 9.597 -6.489 -9.040 1.00 0.00 O ATOM 0 H SER A 113 8.204 -4.626 -9.903 1.00 0.00 H new ATOM 0 HA SER A 113 9.556 -4.214 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.761 -5.285 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.397 -5.580 -8.630 1.00 0.00 H new ATOM 0 HG SER A 113 10.032 -7.305 -9.364 1.00 0.00 H new ATOM 1692 N GLY A 114 11.097 -2.519 -10.035 1.00 0.00 N ATOM 1693 CA GLY A 114 12.028 -1.428 -10.257 1.00 0.00 C ATOM 1694 C GLY A 114 13.435 -1.916 -10.541 1.00 0.00 C ATOM 1695 O GLY A 114 14.162 -2.338 -9.642 1.00 0.00 O ATOM 0 H GLY A 114 10.687 -2.911 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.681 -0.823 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.041 -0.781 -9.380 1.00 0.00 H new ATOM 1699 N PRO A 115 13.836 -1.863 -11.820 1.00 0.00 N ATOM 1700 CA PRO A 115 15.167 -2.302 -12.250 1.00 0.00 C ATOM 1701 C PRO A 115 16.270 -1.368 -11.764 1.00 0.00 C ATOM 1702 O PRO A 115 17.446 -1.569 -12.066 1.00 0.00 O ATOM 1703 CB PRO A 115 15.075 -2.269 -13.778 1.00 0.00 C ATOM 1704 CG PRO A 115 14.011 -1.268 -14.071 1.00 0.00 C ATOM 1705 CD PRO A 115 13.022 -1.373 -12.944 1.00 0.00 C ATOM 0 HA PRO A 115 15.424 -3.281 -11.845 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.026 -1.979 -14.226 1.00 0.00 H new ATOM 0 HB3 PRO A 115 14.819 -3.249 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.427 -0.263 -14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.534 -1.475 -15.029 1.00 0.00 H new ATOM 0 HD2 PRO A 115 12.565 -0.409 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 115 12.212 -2.062 -13.183 1.00 0.00 H new ATOM 1713 N SER A 116 15.883 -0.345 -11.007 1.00 0.00 N ATOM 1714 CA SER A 116 16.839 0.622 -10.481 1.00 0.00 C ATOM 1715 C SER A 116 17.535 0.077 -9.238 1.00 0.00 C ATOM 1716 O SER A 116 18.763 0.072 -9.151 1.00 0.00 O ATOM 1717 CB SER A 116 16.134 1.939 -10.148 1.00 0.00 C ATOM 1718 OG SER A 116 17.054 2.901 -9.662 1.00 0.00 O ATOM 0 H SER A 116 14.914 -0.165 -10.745 1.00 0.00 H new ATOM 0 HA SER A 116 17.592 0.805 -11.247 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.637 2.324 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.360 1.762 -9.402 1.00 0.00 H new ATOM 0 HG SER A 116 16.579 3.734 -9.458 1.00 0.00 H new ATOM 1724 N SER A 117 16.740 -0.384 -8.276 1.00 0.00 N ATOM 1725 CA SER A 117 17.278 -0.928 -7.035 1.00 0.00 C ATOM 1726 C SER A 117 18.453 -1.861 -7.316 1.00 0.00 C ATOM 1727 O SER A 117 18.337 -2.807 -8.093 1.00 0.00 O ATOM 1728 CB SER A 117 16.188 -1.679 -6.268 1.00 0.00 C ATOM 1729 OG SER A 117 16.450 -1.674 -4.875 1.00 0.00 O ATOM 0 H SER A 117 15.722 -0.391 -8.333 1.00 0.00 H new ATOM 0 HA SER A 117 17.634 -0.097 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 117 15.219 -1.218 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 117 16.129 -2.707 -6.627 1.00 0.00 H new ATOM 0 HG SER A 117 15.739 -2.159 -4.407 1.00 0.00 H new ATOM 1735 N GLY A 118 19.585 -1.585 -6.674 1.00 0.00 N ATOM 1736 CA GLY A 118 20.765 -2.407 -6.868 1.00 0.00 C ATOM 1737 C GLY A 118 21.766 -1.773 -7.812 1.00 0.00 C ATOM 1738 O GLY A 118 22.878 -2.282 -7.937 1.00 0.00 O ATOM 0 H GLY A 118 19.705 -0.808 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 118 21.242 -2.585 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 118 20.466 -3.379 -7.260 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 4.774 2.687 21.151 1.00 0.00 N ATOM 1744 CA ALA B 1 6.043 3.387 20.995 1.00 0.00 C ATOM 1745 C ALA B 1 5.916 4.537 20.002 1.00 0.00 C ATOM 1746 O ALA B 1 6.219 5.687 20.326 1.00 0.00 O ATOM 1747 CB ALA B 1 7.128 2.418 20.547 1.00 0.00 C ATOM 0 H1 ALA B 1 4.888 1.909 21.832 1.00 0.00 H new ATOM 0 H2 ALA B 1 4.053 3.350 21.500 1.00 0.00 H new ATOM 0 H3 ALA B 1 4.475 2.302 20.232 1.00 0.00 H new ATOM 0 HA ALA B 1 6.321 3.805 21.962 1.00 0.00 H new ATOM 0 HB1 ALA B 1 8.070 2.954 20.434 1.00 0.00 H new ATOM 0 HB2 ALA B 1 7.244 1.632 21.293 1.00 0.00 H new ATOM 0 HB3 ALA B 1 6.847 1.973 19.592 1.00 0.00 H new ATOM 1753 N THR B 2 5.467 4.223 18.792 1.00 0.00 N ATOM 1754 CA THR B 2 5.303 5.230 17.752 1.00 0.00 C ATOM 1755 C THR B 2 6.536 6.120 17.647 1.00 0.00 C ATOM 1756 O THR B 2 6.425 7.334 17.486 1.00 0.00 O ATOM 1757 CB THR B 2 4.068 6.113 18.015 1.00 0.00 C ATOM 1758 OG1 THR B 2 2.929 5.291 18.297 1.00 0.00 O ATOM 1759 CG2 THR B 2 3.773 7.002 16.817 1.00 0.00 C ATOM 0 H THR B 2 5.210 3.278 18.508 1.00 0.00 H new ATOM 0 HA THR B 2 5.165 4.694 16.813 1.00 0.00 H new ATOM 0 HB THR B 2 4.280 6.748 18.875 1.00 0.00 H new ATOM 0 HG1 THR B 2 2.149 5.860 18.465 1.00 0.00 H new ATOM 0 HG21 THR B 2 2.897 7.616 17.026 1.00 0.00 H new ATOM 0 HG22 THR B 2 4.630 7.647 16.623 1.00 0.00 H new ATOM 0 HG23 THR B 2 3.580 6.381 15.942 1.00 0.00 H new ATOM 1767 N GLU B 3 7.712 5.506 17.740 1.00 0.00 N ATOM 1768 CA GLU B 3 8.967 6.245 17.656 1.00 0.00 C ATOM 1769 C GLU B 3 9.582 6.114 16.266 1.00 0.00 C ATOM 1770 O GLU B 3 10.012 5.032 15.866 1.00 0.00 O ATOM 1771 CB GLU B 3 9.952 5.741 18.712 1.00 0.00 C ATOM 1772 CG GLU B 3 11.121 6.682 18.952 1.00 0.00 C ATOM 1773 CD GLU B 3 10.765 7.829 19.878 1.00 0.00 C ATOM 1774 OE1 GLU B 3 9.813 8.572 19.563 1.00 0.00 O ATOM 1775 OE2 GLU B 3 11.440 7.984 20.918 1.00 0.00 O ATOM 0 H GLU B 3 7.822 4.501 17.873 1.00 0.00 H new ATOM 0 HA GLU B 3 8.754 7.298 17.842 1.00 0.00 H new ATOM 0 HB2 GLU B 3 9.419 5.590 19.651 1.00 0.00 H new ATOM 0 HB3 GLU B 3 10.336 4.769 18.404 1.00 0.00 H new ATOM 0 HG2 GLU B 3 11.953 6.121 19.378 1.00 0.00 H new ATOM 0 HG3 GLU B 3 11.462 7.083 17.997 1.00 0.00 H new ATOM 1782 N GLN B 4 9.622 7.223 15.535 1.00 0.00 N ATOM 1783 CA GLN B 4 10.184 7.233 14.190 1.00 0.00 C ATOM 1784 C GLN B 4 9.763 5.988 13.416 1.00 0.00 C ATOM 1785 O GLN B 4 10.565 5.395 12.694 1.00 0.00 O ATOM 1786 CB GLN B 4 11.710 7.317 14.253 1.00 0.00 C ATOM 1787 CG GLN B 4 12.233 8.729 14.469 1.00 0.00 C ATOM 1788 CD GLN B 4 12.166 9.160 15.920 1.00 0.00 C ATOM 1789 OE1 GLN B 4 11.220 9.829 16.339 1.00 0.00 O ATOM 1790 NE2 GLN B 4 13.172 8.778 16.699 1.00 0.00 N ATOM 0 H GLN B 4 9.272 8.127 15.852 1.00 0.00 H new ATOM 0 HA GLN B 4 9.800 8.110 13.669 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.068 6.678 15.061 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.126 6.922 13.326 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.265 8.787 14.124 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.654 9.424 13.860 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.936 8.224 16.311 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.181 9.038 17.685 1.00 0.00 H new ATOM 1799 N GLU B 5 8.502 5.597 13.573 1.00 0.00 N ATOM 1800 CA GLU B 5 7.977 4.422 12.889 1.00 0.00 C ATOM 1801 C GLU B 5 6.707 4.764 12.116 1.00 0.00 C ATOM 1802 O GLU B 5 5.857 5.513 12.599 1.00 0.00 O ATOM 1803 CB GLU B 5 7.689 3.306 13.894 1.00 0.00 C ATOM 1804 CG GLU B 5 7.836 1.909 13.313 1.00 0.00 C ATOM 1805 CD GLU B 5 7.274 0.835 14.225 1.00 0.00 C ATOM 1806 OE1 GLU B 5 7.342 1.008 15.459 1.00 0.00 O ATOM 1807 OE2 GLU B 5 6.765 -0.179 13.702 1.00 0.00 O ATOM 0 H GLU B 5 7.826 6.077 14.167 1.00 0.00 H new ATOM 0 HA GLU B 5 8.731 4.079 12.181 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.365 3.410 14.743 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.676 3.426 14.277 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.328 1.865 12.350 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.891 1.706 13.126 1.00 0.00 H new ATOM 1814 N ILE B 6 6.586 4.213 10.912 1.00 0.00 N ATOM 1815 CA ILE B 6 5.421 4.460 10.073 1.00 0.00 C ATOM 1816 C ILE B 6 4.149 3.935 10.730 1.00 0.00 C ATOM 1817 O ILE B 6 4.173 2.933 11.445 1.00 0.00 O ATOM 1818 CB ILE B 6 5.576 3.804 8.688 1.00 0.00 C ATOM 1819 CG1 ILE B 6 5.363 2.293 8.787 1.00 0.00 C ATOM 1820 CG2 ILE B 6 6.949 4.113 8.107 1.00 0.00 C ATOM 1821 CD1 ILE B 6 6.428 1.584 9.595 1.00 0.00 C ATOM 0 H ILE B 6 7.281 3.593 10.497 1.00 0.00 H new ATOM 0 HA ILE B 6 5.345 5.540 9.949 1.00 0.00 H new ATOM 0 HB ILE B 6 4.818 4.215 8.021 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.389 2.100 9.237 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.340 1.871 7.782 1.00 0.00 H new ATOM 0 HG21 ILE B 6 7.044 3.643 7.128 1.00 0.00 H new ATOM 0 HG22 ILE B 6 7.066 5.192 8.004 1.00 0.00 H new ATOM 0 HG23 ILE B 6 7.721 3.726 8.772 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.213 0.516 9.623 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.402 1.746 9.134 1.00 0.00 H new ATOM 0 HD13 ILE B 6 6.437 1.979 10.611 1.00 0.00 H new ATOM 1833 N THR B 7 3.036 4.620 10.483 1.00 0.00 N ATOM 1834 CA THR B 7 1.753 4.224 11.050 1.00 0.00 C ATOM 1835 C THR B 7 0.778 3.798 9.958 1.00 0.00 C ATOM 1836 O THR B 7 0.659 4.459 8.926 1.00 0.00 O ATOM 1837 CB THR B 7 1.123 5.367 11.868 1.00 0.00 C ATOM 1838 OG1 THR B 7 2.040 5.812 12.873 1.00 0.00 O ATOM 1839 CG2 THR B 7 -0.173 4.914 12.521 1.00 0.00 C ATOM 0 H THR B 7 2.998 5.452 9.894 1.00 0.00 H new ATOM 0 HA THR B 7 1.947 3.379 11.711 1.00 0.00 H new ATOM 0 HB THR B 7 0.900 6.191 11.190 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.633 6.540 13.388 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.599 5.738 13.093 1.00 0.00 H new ATOM 0 HG22 THR B 7 -0.879 4.603 11.751 1.00 0.00 H new ATOM 0 HG23 THR B 7 0.029 4.076 13.188 1.00 0.00 H new HETATM 1847 N PTR B 8 0.082 2.691 10.192 1.00 0.00 N HETATM 1848 CA PTR B 8 -0.882 2.176 9.227 1.00 0.00 C HETATM 1849 C PTR B 8 -2.215 2.910 9.344 1.00 0.00 C HETATM 1850 O PTR B 8 -2.557 3.434 10.403 1.00 0.00 O HETATM 1851 CB PTR B 8 -1.094 0.676 9.437 1.00 0.00 C HETATM 1852 CG PTR B 8 0.124 -0.159 9.109 1.00 0.00 C HETATM 1853 CD1 PTR B 8 0.101 -1.076 8.065 1.00 0.00 C HETATM 1854 CD2 PTR B 8 1.296 -0.032 9.844 1.00 0.00 C HETATM 1855 CE1 PTR B 8 1.210 -1.841 7.763 1.00 0.00 C HETATM 1856 CE2 PTR B 8 2.411 -0.792 9.547 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.363 -1.695 8.505 1.00 0.00 C HETATM 1858 OH PTR B 8 3.471 -2.455 8.208 1.00 0.00 O HETATM 1859 P PTR B 8 4.982 -1.932 8.251 1.00 0.00 P HETATM 1860 O1P PTR B 8 5.437 -1.818 9.656 1.00 0.00 O HETATM 1861 O2P PTR B 8 5.866 -2.877 7.535 1.00 0.00 O HETATM 1862 O3P PTR B 8 5.076 -0.603 7.607 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.323 -0.679 10.133 1.00 0.00 H new HETATM 0 HE1 PTR B 8 1.174 -2.557 6.942 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.337 0.679 10.669 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.808 -1.193 7.475 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -1.377 0.499 10.475 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.928 0.345 8.818 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.481 2.343 8.227 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.963 2.943 8.247 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.259 3.609 8.224 1.00 0.00 C ATOM 1873 C ALA B 9 -5.397 2.601 8.340 1.00 0.00 C ATOM 1874 O ALA B 9 -5.315 1.495 7.806 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.408 4.432 6.953 1.00 0.00 C ATOM 0 H ALA B 9 -2.693 2.516 7.361 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.311 4.277 9.084 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.381 4.924 6.950 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.621 5.185 6.913 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.329 3.778 6.085 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.457 2.990 9.042 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.610 2.118 9.227 1.00 0.00 C ATOM 1883 C GLU B 10 -8.606 2.280 8.082 1.00 0.00 C ATOM 1884 O GLU B 10 -8.572 3.270 7.350 1.00 0.00 O ATOM 1885 CB GLU B 10 -8.297 2.421 10.561 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.571 1.844 11.765 1.00 0.00 C ATOM 1887 CD GLU B 10 -7.973 0.412 12.057 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -8.363 -0.300 11.108 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.900 0.004 13.235 1.00 0.00 O ATOM 0 H GLU B 10 -6.541 3.902 9.491 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.256 1.087 9.234 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.379 3.501 10.680 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -9.312 2.025 10.535 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -6.496 1.887 11.591 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -7.778 2.461 12.639 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.491 1.301 7.932 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.496 1.333 6.875 1.00 0.00 C ATOM 1898 C LEU B 11 -11.892 1.102 7.445 1.00 0.00 C ATOM 1899 O LEU B 11 -12.044 0.661 8.584 1.00 0.00 O ATOM 1900 CB LEU B 11 -10.184 0.276 5.816 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.781 0.325 5.210 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.558 -0.858 4.280 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.567 1.636 4.468 1.00 0.00 C ATOM 0 H LEU B 11 -9.533 0.475 8.529 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.471 2.320 6.413 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.332 -0.708 6.260 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.910 0.374 5.009 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.054 0.265 6.020 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.554 -0.805 3.859 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.668 -1.787 4.840 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.292 -0.831 3.474 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.563 1.654 4.043 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.302 1.725 3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.683 2.469 5.161 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.909 1.402 6.644 1.00 0.00 N ATOM 1916 CA ASN B 12 -14.294 1.225 7.068 1.00 0.00 C ATOM 1917 C ASN B 12 -14.882 -0.057 6.485 1.00 0.00 C ATOM 1918 O ASN B 12 -14.864 -0.265 5.271 1.00 0.00 O ATOM 1919 CB ASN B 12 -15.137 2.427 6.640 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.612 2.235 6.939 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -17.025 2.219 8.098 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -17.414 2.087 5.891 1.00 0.00 N ATOM 0 H ASN B 12 -12.801 1.769 5.698 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.308 1.148 8.155 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.778 3.320 7.152 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -15.005 2.598 5.572 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -18.416 1.954 6.030 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.028 2.107 4.947 1.00 0.00 H new ATOM 1929 N LEU B 13 -15.404 -0.912 7.358 1.00 0.00 N ATOM 1930 CA LEU B 13 -15.998 -2.173 6.929 1.00 0.00 C ATOM 1931 C LEU B 13 -17.335 -1.937 6.233 1.00 0.00 C ATOM 1932 O LEU B 13 -17.747 -0.794 6.034 1.00 0.00 O ATOM 1933 CB LEU B 13 -16.194 -3.101 8.130 1.00 0.00 C ATOM 1934 CG LEU B 13 -14.950 -3.851 8.608 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.936 -2.883 9.196 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -15.329 -4.915 9.629 1.00 0.00 C ATOM 0 H LEU B 13 -15.428 -0.755 8.366 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.318 -2.644 6.219 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -16.580 -2.510 8.961 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -16.961 -3.833 7.877 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.494 -4.345 7.750 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -13.058 -3.435 9.531 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.642 -2.159 8.437 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -14.381 -2.360 10.043 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.432 -5.439 9.958 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -15.809 -4.442 10.486 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -16.018 -5.626 9.174 1.00 0.00 H new ATOM 1948 N GLN B 14 -18.006 -3.024 5.866 1.00 0.00 N ATOM 1949 CA GLN B 14 -19.296 -2.934 5.192 1.00 0.00 C ATOM 1950 C GLN B 14 -20.240 -2.005 5.948 1.00 0.00 C ATOM 1951 O GLN B 14 -20.841 -1.102 5.363 1.00 0.00 O ATOM 1952 CB GLN B 14 -19.924 -4.322 5.061 1.00 0.00 C ATOM 1953 CG GLN B 14 -19.065 -5.308 4.287 1.00 0.00 C ATOM 1954 CD GLN B 14 -18.878 -4.906 2.837 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -17.834 -4.378 2.457 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -19.894 -5.157 2.018 1.00 0.00 N ATOM 0 H GLN B 14 -17.678 -3.977 6.024 1.00 0.00 H new ATOM 0 HA GLN B 14 -19.130 -2.523 4.196 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -20.113 -4.722 6.057 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -20.891 -4.229 4.566 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -18.089 -5.389 4.766 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -19.524 -6.296 4.330 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -20.742 -5.597 2.377 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -19.826 -4.910 1.031 1.00 0.00 H new ATOM 1965 N LYS B 15 -20.367 -2.230 7.251 1.00 0.00 N ATOM 1966 CA LYS B 15 -21.238 -1.413 8.088 1.00 0.00 C ATOM 1967 C LYS B 15 -20.495 -0.186 8.610 1.00 0.00 C ATOM 1968 O LYS B 15 -20.764 0.290 9.714 1.00 0.00 O ATOM 1969 CB LYS B 15 -21.771 -2.237 9.261 1.00 0.00 C ATOM 1970 CG LYS B 15 -20.703 -2.616 10.274 1.00 0.00 C ATOM 1971 CD LYS B 15 -21.183 -3.718 11.204 1.00 0.00 C ATOM 1972 CE LYS B 15 -20.025 -4.565 11.708 1.00 0.00 C ATOM 1973 NZ LYS B 15 -19.684 -5.661 10.759 1.00 0.00 N ATOM 0 H LYS B 15 -19.877 -2.972 7.751 1.00 0.00 H new ATOM 0 HA LYS B 15 -22.076 -1.077 7.478 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -22.554 -1.671 9.766 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -22.233 -3.146 8.875 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -19.805 -2.945 9.751 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -20.428 -1.739 10.859 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -21.709 -3.277 12.051 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -21.898 -4.352 10.680 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -19.151 -3.931 11.860 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -20.282 -4.991 12.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -18.890 -6.215 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -20.510 -6.281 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -19.414 -5.254 9.841 1.00 0.00 H new TER 1987 LYS B 15