USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 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 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 63 THR OG1 : rot -101:sc= 0.83 USER MOD Set 1.2: B 9 SER OG : rot -152:sc= 0.798 USER MOD Set 2.1: A 46 SER OG : rot -92:sc= -1.22 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -5! C(o=-6.2!,f=-8.3!) USER MOD Set 3.1: A 36 SER OG : rot 117:sc= 0.211 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.201 K(o=0.011,f=-0.85) USER MOD Set 4.1: A 10 HIS : no HD1:sc= -0.652 K(o=-2.6,f=-5.2!) USER MOD Set 4.2: A 13 MET CE :methyl -176:sc= -1.95 (180deg=-2.03) USER MOD Set 4.3: A 113 SER OG : rot -117:sc= 0.00134 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0391 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 154:sc= -2.06! USER MOD Single : A 12 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=-0.064) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.8) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.34! C(o=-2.3!,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 81:sc= 0.0697 USER MOD Single : A 38 SER OG : rot -55:sc= 0.341 USER MOD Single : A 49 SER OG : rot 130:sc= -0.712 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -80:sc= -0.805 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 169:sc= -1.79! (180deg=-1.93!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.137 USER MOD Single : A 74 TYR OH : rot -55:sc= 1.29 USER MOD Single : A 75 THR OG1 : rot -137:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 35:sc= 0.73 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.85 K(o=-1.9,f=-0.92) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc=-0.00486 (180deg=-0.893) USER MOD Single : A 95 THR OG1 : rot -91:sc= 0.73 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.01 K(o=-1,f=-3.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 117 SER OG : rot 3:sc= 0.732! USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.53 K(o=-1.5,f=0.41) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : B 12 ASN : amide:sc= -3.37! C(o=-3.4!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.990 -0.050 -22.089 1.00 0.00 N ATOM 2 CA GLY A 1 13.909 -1.023 -22.648 1.00 0.00 C ATOM 3 C GLY A 1 13.210 -2.045 -23.523 1.00 0.00 C ATOM 4 O GLY A 1 12.144 -1.774 -24.075 1.00 0.00 O ATOM 0 H1 GLY A 1 13.441 0.887 -22.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.129 -0.012 -22.671 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.740 -0.326 -21.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.668 -0.506 -23.235 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.427 -1.536 -21.838 1.00 0.00 H new ATOM 8 N SER A 2 13.813 -3.222 -23.652 1.00 0.00 N ATOM 9 CA SER A 2 13.245 -4.286 -24.471 1.00 0.00 C ATOM 10 C SER A 2 11.839 -4.644 -23.999 1.00 0.00 C ATOM 11 O SER A 2 11.365 -4.133 -22.984 1.00 0.00 O ATOM 12 CB SER A 2 14.140 -5.526 -24.428 1.00 0.00 C ATOM 13 OG SER A 2 15.224 -5.405 -25.334 1.00 0.00 O ATOM 0 H SER A 2 14.695 -3.463 -23.200 1.00 0.00 H new ATOM 0 HA SER A 2 13.184 -3.926 -25.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.521 -5.668 -23.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.553 -6.411 -24.675 1.00 0.00 H new ATOM 0 HG SER A 2 15.782 -6.209 -25.286 1.00 0.00 H new ATOM 19 N SER A 3 11.178 -5.525 -24.742 1.00 0.00 N ATOM 20 CA SER A 3 9.825 -5.950 -24.402 1.00 0.00 C ATOM 21 C SER A 3 9.769 -6.501 -22.980 1.00 0.00 C ATOM 22 O SER A 3 10.670 -7.216 -22.544 1.00 0.00 O ATOM 23 CB SER A 3 9.335 -7.009 -25.391 1.00 0.00 C ATOM 24 OG SER A 3 9.964 -8.257 -25.154 1.00 0.00 O ATOM 0 H SER A 3 11.557 -5.959 -25.584 1.00 0.00 H new ATOM 0 HA SER A 3 9.173 -5.079 -24.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.254 -7.120 -25.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.541 -6.682 -26.410 1.00 0.00 H new ATOM 0 HG SER A 3 9.633 -8.918 -25.798 1.00 0.00 H new ATOM 30 N GLY A 4 8.702 -6.163 -22.262 1.00 0.00 N ATOM 31 CA GLY A 4 8.548 -6.631 -20.897 1.00 0.00 C ATOM 32 C GLY A 4 7.967 -5.572 -19.982 1.00 0.00 C ATOM 33 O GLY A 4 8.472 -4.451 -19.920 1.00 0.00 O ATOM 0 H GLY A 4 7.942 -5.574 -22.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.902 -7.509 -20.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.518 -6.946 -20.513 1.00 0.00 H new ATOM 37 N SER A 5 6.901 -5.926 -19.271 1.00 0.00 N ATOM 38 CA SER A 5 6.247 -4.995 -18.360 1.00 0.00 C ATOM 39 C SER A 5 6.394 -5.458 -16.913 1.00 0.00 C ATOM 40 O SER A 5 6.376 -6.655 -16.627 1.00 0.00 O ATOM 41 CB SER A 5 4.765 -4.857 -18.715 1.00 0.00 C ATOM 42 OG SER A 5 4.088 -6.094 -18.570 1.00 0.00 O ATOM 0 H SER A 5 6.472 -6.851 -19.309 1.00 0.00 H new ATOM 0 HA SER A 5 6.730 -4.023 -18.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.302 -4.108 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.665 -4.502 -19.741 1.00 0.00 H new ATOM 0 HG SER A 5 3.143 -5.979 -18.801 1.00 0.00 H new ATOM 48 N SER A 6 6.541 -4.499 -16.004 1.00 0.00 N ATOM 49 CA SER A 6 6.695 -4.806 -14.587 1.00 0.00 C ATOM 50 C SER A 6 5.422 -4.471 -13.815 1.00 0.00 C ATOM 51 O SER A 6 4.647 -3.605 -14.222 1.00 0.00 O ATOM 52 CB SER A 6 7.878 -4.033 -14.001 1.00 0.00 C ATOM 53 OG SER A 6 8.016 -4.286 -12.614 1.00 0.00 O ATOM 0 H SER A 6 6.557 -3.503 -16.224 1.00 0.00 H new ATOM 0 HA SER A 6 6.885 -5.875 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.794 -4.317 -14.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.736 -2.965 -14.167 1.00 0.00 H new ATOM 0 HG SER A 6 8.780 -3.782 -12.264 1.00 0.00 H new ATOM 59 N GLY A 7 5.213 -5.163 -12.700 1.00 0.00 N ATOM 60 CA GLY A 7 4.034 -4.925 -11.889 1.00 0.00 C ATOM 61 C GLY A 7 4.305 -3.985 -10.731 1.00 0.00 C ATOM 62 O GLY A 7 5.143 -3.088 -10.834 1.00 0.00 O ATOM 0 H GLY A 7 5.840 -5.885 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.245 -4.507 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.665 -5.875 -11.503 1.00 0.00 H new ATOM 66 N TRP A 8 3.596 -4.188 -9.627 1.00 0.00 N ATOM 67 CA TRP A 8 3.765 -3.351 -8.445 1.00 0.00 C ATOM 68 C TRP A 8 4.407 -4.137 -7.308 1.00 0.00 C ATOM 69 O TRP A 8 4.283 -3.770 -6.139 1.00 0.00 O ATOM 70 CB TRP A 8 2.414 -2.790 -7.995 1.00 0.00 C ATOM 71 CG TRP A 8 1.257 -3.674 -8.349 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.195 -3.353 -9.144 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.046 -5.023 -7.917 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.665 -4.422 -9.233 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.166 -5.458 -8.490 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.761 -5.906 -7.104 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.673 -6.736 -8.274 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.255 -7.173 -6.890 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.048 -7.580 -7.473 1.00 0.00 C ATOM 0 H TRP A 8 2.898 -4.925 -9.525 1.00 0.00 H new ATOM 0 HA TRP A 8 4.425 -2.524 -8.707 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.432 -2.641 -6.915 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.266 -1.810 -8.449 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.051 -2.400 -9.631 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.534 -4.440 -9.766 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.693 -5.603 -6.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.603 -7.051 -8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.800 -7.862 -6.262 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.320 -8.578 -7.287 1.00 0.00 H new ATOM 90 N TYR A 9 5.094 -5.218 -7.657 1.00 0.00 N ATOM 91 CA TYR A 9 5.756 -6.058 -6.664 1.00 0.00 C ATOM 92 C TYR A 9 7.244 -5.732 -6.579 1.00 0.00 C ATOM 93 O TYR A 9 7.997 -5.958 -7.526 1.00 0.00 O ATOM 94 CB TYR A 9 5.565 -7.536 -7.007 1.00 0.00 C ATOM 95 CG TYR A 9 5.590 -8.446 -5.800 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.449 -8.642 -5.030 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.753 -9.108 -5.428 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.467 -9.472 -3.926 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.779 -9.940 -4.326 1.00 0.00 C ATOM 100 CZ TYR A 9 5.634 -10.120 -3.578 1.00 0.00 C ATOM 101 OH TYR A 9 5.657 -10.947 -2.479 1.00 0.00 O ATOM 0 H TYR A 9 5.208 -5.534 -8.620 1.00 0.00 H new ATOM 0 HA TYR A 9 5.303 -5.855 -5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.614 -7.660 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.348 -7.844 -7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.533 -8.137 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.652 -8.970 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.572 -9.613 -3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.692 -10.448 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 9 6.361 -11.620 -2.590 1.00 0.00 H new ATOM 111 N HIS A 10 7.661 -5.198 -5.435 1.00 0.00 N ATOM 112 CA HIS A 10 9.059 -4.841 -5.223 1.00 0.00 C ATOM 113 C HIS A 10 9.809 -5.974 -4.528 1.00 0.00 C ATOM 114 O HIS A 10 10.787 -6.500 -5.055 1.00 0.00 O ATOM 115 CB HIS A 10 9.161 -3.561 -4.393 1.00 0.00 C ATOM 116 CG HIS A 10 8.581 -2.360 -5.074 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.353 -1.399 -5.692 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.295 -1.966 -5.231 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.567 -0.466 -6.199 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.314 -0.786 -5.934 1.00 0.00 N ATOM 0 H HIS A 10 7.051 -5.003 -4.641 1.00 0.00 H new ATOM 0 HA HIS A 10 9.517 -4.670 -6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.650 -3.712 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.209 -3.368 -4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.418 -2.483 -4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.894 0.410 -6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.493 -0.245 -6.207 1.00 0.00 H new ATOM 129 N GLY A 11 9.344 -6.342 -3.338 1.00 0.00 N ATOM 130 CA GLY A 11 9.983 -7.409 -2.589 1.00 0.00 C ATOM 131 C GLY A 11 10.643 -6.909 -1.318 1.00 0.00 C ATOM 132 O GLY A 11 9.972 -6.679 -0.312 1.00 0.00 O ATOM 0 H GLY A 11 8.536 -5.921 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.241 -8.166 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.731 -7.893 -3.217 1.00 0.00 H new ATOM 136 N HIS A 12 11.961 -6.743 -1.363 1.00 0.00 N ATOM 137 CA HIS A 12 12.712 -6.270 -0.206 1.00 0.00 C ATOM 138 C HIS A 12 12.392 -4.807 0.088 1.00 0.00 C ATOM 139 O HIS A 12 12.905 -3.906 -0.573 1.00 0.00 O ATOM 140 CB HIS A 12 14.213 -6.439 -0.442 1.00 0.00 C ATOM 141 CG HIS A 12 14.587 -7.783 -0.986 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.332 -7.950 -2.133 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.315 -9.028 -0.530 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.501 -9.240 -2.362 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.894 -9.917 -1.404 1.00 0.00 N ATOM 0 H HIS A 12 12.531 -6.929 -2.188 1.00 0.00 H new ATOM 0 HA HIS A 12 12.418 -6.868 0.657 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.552 -5.669 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.741 -6.277 0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.749 -9.277 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.043 -9.668 -3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.860 -10.933 -1.326 1.00 0.00 H new ATOM 154 N MET A 13 11.540 -4.582 1.083 1.00 0.00 N ATOM 155 CA MET A 13 11.152 -3.228 1.464 1.00 0.00 C ATOM 156 C MET A 13 10.458 -3.223 2.822 1.00 0.00 C ATOM 157 O MET A 13 9.937 -4.246 3.267 1.00 0.00 O ATOM 158 CB MET A 13 10.230 -2.622 0.404 1.00 0.00 C ATOM 159 CG MET A 13 10.081 -1.113 0.520 1.00 0.00 C ATOM 160 SD MET A 13 8.916 -0.437 -0.679 1.00 0.00 S ATOM 161 CE MET A 13 9.982 -0.220 -2.102 1.00 0.00 C ATOM 0 H MET A 13 11.106 -5.318 1.639 1.00 0.00 H new ATOM 0 HA MET A 13 12.057 -2.624 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.617 -2.866 -0.585 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.246 -3.083 0.483 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.748 -0.861 1.527 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.055 -0.644 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.423 0.258 -2.906 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.831 0.406 -1.828 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.342 -1.192 -2.439 1.00 0.00 H new ATOM 171 N SER A 14 10.456 -2.067 3.476 1.00 0.00 N ATOM 172 CA SER A 14 9.829 -1.930 4.786 1.00 0.00 C ATOM 173 C SER A 14 8.815 -0.791 4.787 1.00 0.00 C ATOM 174 O SER A 14 8.616 -0.122 3.775 1.00 0.00 O ATOM 175 CB SER A 14 10.890 -1.685 5.859 1.00 0.00 C ATOM 176 OG SER A 14 11.681 -0.551 5.545 1.00 0.00 O ATOM 0 H SER A 14 10.882 -1.211 3.121 1.00 0.00 H new ATOM 0 HA SER A 14 9.305 -2.859 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.407 -1.539 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.529 -2.564 5.951 1.00 0.00 H new ATOM 0 HG SER A 14 12.351 -0.415 6.247 1.00 0.00 H new ATOM 182 N GLY A 15 8.176 -0.577 5.933 1.00 0.00 N ATOM 183 CA GLY A 15 7.189 0.482 6.046 1.00 0.00 C ATOM 184 C GLY A 15 7.794 1.860 5.866 1.00 0.00 C ATOM 185 O GLY A 15 7.419 2.597 4.955 1.00 0.00 O ATOM 0 H GLY A 15 8.324 -1.118 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.410 0.330 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.709 0.424 7.023 1.00 0.00 H new ATOM 189 N GLY A 16 8.734 2.210 6.739 1.00 0.00 N ATOM 190 CA GLY A 16 9.376 3.509 6.656 1.00 0.00 C ATOM 191 C GLY A 16 9.851 3.833 5.253 1.00 0.00 C ATOM 192 O GLY A 16 9.690 4.958 4.782 1.00 0.00 O ATOM 0 H GLY A 16 9.062 1.618 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.677 4.278 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.225 3.535 7.339 1.00 0.00 H new ATOM 196 N GLN A 17 10.438 2.844 4.586 1.00 0.00 N ATOM 197 CA GLN A 17 10.940 3.031 3.230 1.00 0.00 C ATOM 198 C GLN A 17 9.811 3.419 2.280 1.00 0.00 C ATOM 199 O GLN A 17 9.822 4.505 1.701 1.00 0.00 O ATOM 200 CB GLN A 17 11.621 1.754 2.736 1.00 0.00 C ATOM 201 CG GLN A 17 12.749 2.009 1.748 1.00 0.00 C ATOM 202 CD GLN A 17 14.019 2.488 2.423 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.001 2.903 3.582 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.131 2.433 1.700 1.00 0.00 N ATOM 0 H GLN A 17 10.577 1.906 4.962 1.00 0.00 H new ATOM 0 HA GLN A 17 11.670 3.841 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.016 1.208 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.875 1.113 2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.959 1.092 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.427 2.752 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.100 2.082 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.016 2.742 2.102 1.00 0.00 H new ATOM 213 N ALA A 18 8.841 2.525 2.127 1.00 0.00 N ATOM 214 CA ALA A 18 7.704 2.775 1.249 1.00 0.00 C ATOM 215 C ALA A 18 7.258 4.231 1.329 1.00 0.00 C ATOM 216 O ALA A 18 6.984 4.863 0.309 1.00 0.00 O ATOM 217 CB ALA A 18 6.550 1.848 1.601 1.00 0.00 C ATOM 0 H ALA A 18 8.819 1.621 2.599 1.00 0.00 H new ATOM 0 HA ALA A 18 8.018 2.574 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.708 2.046 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.867 0.812 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.246 2.021 2.633 1.00 0.00 H new ATOM 223 N GLU A 19 7.188 4.758 2.548 1.00 0.00 N ATOM 224 CA GLU A 19 6.774 6.139 2.760 1.00 0.00 C ATOM 225 C GLU A 19 7.674 7.102 1.989 1.00 0.00 C ATOM 226 O GLU A 19 7.195 8.023 1.327 1.00 0.00 O ATOM 227 CB GLU A 19 6.802 6.480 4.251 1.00 0.00 C ATOM 228 CG GLU A 19 5.482 6.228 4.959 1.00 0.00 C ATOM 229 CD GLU A 19 5.404 6.910 6.310 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.946 8.027 6.444 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.799 6.327 7.235 1.00 0.00 O ATOM 0 H GLU A 19 7.413 4.249 3.403 1.00 0.00 H new ATOM 0 HA GLU A 19 5.755 6.247 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.582 5.892 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.074 7.529 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.664 6.581 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.343 5.155 5.090 1.00 0.00 H new ATOM 238 N THR A 20 8.982 6.881 2.081 1.00 0.00 N ATOM 239 CA THR A 20 9.949 7.728 1.396 1.00 0.00 C ATOM 240 C THR A 20 9.787 7.635 -0.118 1.00 0.00 C ATOM 241 O THR A 20 9.769 8.650 -0.814 1.00 0.00 O ATOM 242 CB THR A 20 11.394 7.348 1.770 1.00 0.00 C ATOM 243 OG1 THR A 20 11.569 7.426 3.189 1.00 0.00 O ATOM 244 CG2 THR A 20 12.391 8.265 1.079 1.00 0.00 C ATOM 0 H THR A 20 9.395 6.122 2.623 1.00 0.00 H new ATOM 0 HA THR A 20 9.756 8.751 1.718 1.00 0.00 H new ATOM 0 HB THR A 20 11.575 6.326 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.490 7.181 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.404 7.977 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.275 8.181 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.209 9.296 1.384 1.00 0.00 H new ATOM 252 N LEU A 21 9.669 6.411 -0.621 1.00 0.00 N ATOM 253 CA LEU A 21 9.508 6.185 -2.053 1.00 0.00 C ATOM 254 C LEU A 21 8.208 6.803 -2.558 1.00 0.00 C ATOM 255 O LEU A 21 8.176 7.425 -3.621 1.00 0.00 O ATOM 256 CB LEU A 21 9.525 4.686 -2.357 1.00 0.00 C ATOM 257 CG LEU A 21 10.825 3.950 -2.031 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.799 3.427 -0.603 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.054 2.810 -3.014 1.00 0.00 C ATOM 0 H LEU A 21 9.682 5.560 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 21 10.341 6.664 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.715 4.214 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.309 4.548 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 21 11.651 4.655 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.732 2.906 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.683 4.262 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.963 2.738 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.984 2.298 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.224 2.106 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.118 3.210 -4.026 1.00 0.00 H new ATOM 271 N LEU A 22 7.139 6.630 -1.790 1.00 0.00 N ATOM 272 CA LEU A 22 5.835 7.172 -2.157 1.00 0.00 C ATOM 273 C LEU A 22 5.816 8.690 -2.008 1.00 0.00 C ATOM 274 O LEU A 22 5.636 9.417 -2.985 1.00 0.00 O ATOM 275 CB LEU A 22 4.738 6.549 -1.293 1.00 0.00 C ATOM 276 CG LEU A 22 4.403 5.087 -1.586 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.563 4.496 -0.464 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.678 4.962 -2.919 1.00 0.00 C ATOM 0 H LEU A 22 7.149 6.118 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 22 5.648 6.925 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.036 6.630 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.830 7.140 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 22 5.336 4.527 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.334 3.455 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.117 4.550 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.634 5.059 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.448 3.914 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.752 5.537 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.314 5.346 -3.717 1.00 0.00 H new ATOM 290 N GLN A 23 6.004 9.161 -0.779 1.00 0.00 N ATOM 291 CA GLN A 23 6.010 10.593 -0.504 1.00 0.00 C ATOM 292 C GLN A 23 6.894 11.337 -1.500 1.00 0.00 C ATOM 293 O GLN A 23 6.506 12.376 -2.032 1.00 0.00 O ATOM 294 CB GLN A 23 6.496 10.857 0.923 1.00 0.00 C ATOM 295 CG GLN A 23 5.472 10.502 1.989 1.00 0.00 C ATOM 296 CD GLN A 23 5.948 10.838 3.389 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.149 10.891 3.653 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.005 11.067 4.295 1.00 0.00 N ATOM 0 H GLN A 23 6.154 8.573 0.041 1.00 0.00 H new ATOM 0 HA GLN A 23 4.989 10.961 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.406 10.284 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.759 11.910 1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.543 11.035 1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.247 9.437 1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.021 11.012 4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.264 11.298 5.254 1.00 0.00 H new ATOM 307 N ALA A 24 8.082 10.797 -1.747 1.00 0.00 N ATOM 308 CA ALA A 24 9.020 11.407 -2.680 1.00 0.00 C ATOM 309 C ALA A 24 8.410 11.525 -4.073 1.00 0.00 C ATOM 310 O ALA A 24 8.565 12.545 -4.747 1.00 0.00 O ATOM 311 CB ALA A 24 10.311 10.605 -2.734 1.00 0.00 C ATOM 0 H ALA A 24 8.418 9.937 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 24 9.245 12.412 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.001 11.074 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.764 10.577 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.094 9.588 -3.062 1.00 0.00 H new ATOM 317 N LYS A 25 7.717 10.475 -4.501 1.00 0.00 N ATOM 318 CA LYS A 25 7.083 10.460 -5.814 1.00 0.00 C ATOM 319 C LYS A 25 6.170 11.668 -5.991 1.00 0.00 C ATOM 320 O LYS A 25 6.178 12.317 -7.035 1.00 0.00 O ATOM 321 CB LYS A 25 6.282 9.169 -6.001 1.00 0.00 C ATOM 322 CG LYS A 25 5.621 9.055 -7.364 1.00 0.00 C ATOM 323 CD LYS A 25 6.561 8.445 -8.390 1.00 0.00 C ATOM 324 CE LYS A 25 6.236 8.923 -9.797 1.00 0.00 C ATOM 325 NZ LYS A 25 7.109 8.278 -10.817 1.00 0.00 N ATOM 0 H LYS A 25 7.580 9.623 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 25 7.867 10.506 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.945 8.316 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.515 9.112 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.722 8.443 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.305 10.043 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.590 8.708 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.491 7.358 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.192 8.705 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.355 10.005 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.856 8.630 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.104 8.506 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.977 7.247 -10.785 1.00 0.00 H new ATOM 339 N GLY A 26 5.382 11.965 -4.961 1.00 0.00 N ATOM 340 CA GLY A 26 4.474 13.095 -5.024 1.00 0.00 C ATOM 341 C GLY A 26 3.290 12.838 -5.934 1.00 0.00 C ATOM 342 O GLY A 26 2.686 13.775 -6.455 1.00 0.00 O ATOM 0 H GLY A 26 5.357 11.443 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.114 13.324 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.015 13.973 -5.377 1.00 0.00 H new ATOM 346 N GLU A 27 2.958 11.565 -6.126 1.00 0.00 N ATOM 347 CA GLU A 27 1.839 11.190 -6.982 1.00 0.00 C ATOM 348 C GLU A 27 0.681 10.638 -6.155 1.00 0.00 C ATOM 349 O GLU A 27 0.819 9.653 -5.429 1.00 0.00 O ATOM 350 CB GLU A 27 2.283 10.150 -8.013 1.00 0.00 C ATOM 351 CG GLU A 27 2.802 10.757 -9.306 1.00 0.00 C ATOM 352 CD GLU A 27 3.480 12.096 -9.090 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.771 13.125 -9.082 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.718 12.116 -8.931 1.00 0.00 O ATOM 0 H GLU A 27 3.447 10.777 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 27 1.498 12.085 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.063 9.527 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.442 9.495 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.507 10.067 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.973 10.882 -10.003 1.00 0.00 H new ATOM 361 N PRO A 28 -0.486 11.289 -6.263 1.00 0.00 N ATOM 362 CA PRO A 28 -1.690 10.883 -5.533 1.00 0.00 C ATOM 363 C PRO A 28 -2.263 9.566 -6.047 1.00 0.00 C ATOM 364 O PRO A 28 -2.258 9.304 -7.249 1.00 0.00 O ATOM 365 CB PRO A 28 -2.668 12.030 -5.796 1.00 0.00 C ATOM 366 CG PRO A 28 -2.217 12.626 -7.083 1.00 0.00 C ATOM 367 CD PRO A 28 -0.721 12.471 -7.110 1.00 0.00 C ATOM 0 HA PRO A 28 -1.487 10.712 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.694 11.667 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.643 12.764 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.677 12.118 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.502 13.676 -7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.351 12.319 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.218 13.354 -6.716 1.00 0.00 H new ATOM 375 N TRP A 29 -2.757 8.744 -5.129 1.00 0.00 N ATOM 376 CA TRP A 29 -3.335 7.453 -5.490 1.00 0.00 C ATOM 377 C TRP A 29 -2.259 6.499 -5.996 1.00 0.00 C ATOM 378 O TRP A 29 -2.514 5.666 -6.867 1.00 0.00 O ATOM 379 CB TRP A 29 -4.415 7.636 -6.558 1.00 0.00 C ATOM 380 CG TRP A 29 -5.299 8.821 -6.311 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.703 9.748 -7.230 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.887 9.207 -5.064 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.506 10.686 -6.628 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.635 10.377 -5.300 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.856 8.677 -3.772 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.344 11.023 -4.291 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.560 9.320 -2.771 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.297 10.482 -3.035 1.00 0.00 C ATOM 0 H TRP A 29 -2.769 8.947 -4.130 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.787 7.021 -4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.938 7.744 -7.532 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.029 6.736 -6.602 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.431 9.744 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.937 11.484 -7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.292 7.781 -3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.911 11.920 -4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.542 8.920 -1.768 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.838 10.960 -2.232 1.00 0.00 H new ATOM 399 N THR A 30 -1.056 6.622 -5.443 1.00 0.00 N ATOM 400 CA THR A 30 0.058 5.769 -5.839 1.00 0.00 C ATOM 401 C THR A 30 0.193 4.573 -4.905 1.00 0.00 C ATOM 402 O THR A 30 0.750 4.686 -3.812 1.00 0.00 O ATOM 403 CB THR A 30 1.385 6.550 -5.851 1.00 0.00 C ATOM 404 OG1 THR A 30 1.321 7.610 -6.813 1.00 0.00 O ATOM 405 CG2 THR A 30 2.552 5.630 -6.181 1.00 0.00 C ATOM 0 H THR A 30 -0.828 7.304 -4.720 1.00 0.00 H new ATOM 0 HA THR A 30 -0.156 5.416 -6.848 1.00 0.00 H new ATOM 0 HB THR A 30 1.543 6.970 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.840 8.372 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.479 6.204 -6.184 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.616 4.841 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.398 5.185 -7.164 1.00 0.00 H new ATOM 413 N PHE A 31 -0.317 3.426 -5.341 1.00 0.00 N ATOM 414 CA PHE A 31 -0.253 2.208 -4.542 1.00 0.00 C ATOM 415 C PHE A 31 0.979 1.384 -4.907 1.00 0.00 C ATOM 416 O PHE A 31 1.566 1.561 -5.975 1.00 0.00 O ATOM 417 CB PHE A 31 -1.518 1.372 -4.746 1.00 0.00 C ATOM 418 CG PHE A 31 -1.546 0.637 -6.056 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.883 1.295 -7.228 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.238 -0.713 -6.115 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.910 0.622 -8.434 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.263 -1.391 -7.319 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.600 -0.723 -8.480 1.00 0.00 C ATOM 0 H PHE A 31 -0.779 3.315 -6.243 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.180 2.494 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.603 0.652 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.389 2.025 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.127 2.347 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.976 -1.241 -5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.173 1.147 -9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.019 -2.443 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.621 -1.251 -9.422 1.00 0.00 H new ATOM 433 N LEU A 32 1.366 0.483 -4.011 1.00 0.00 N ATOM 434 CA LEU A 32 2.528 -0.369 -4.236 1.00 0.00 C ATOM 435 C LEU A 32 2.541 -1.543 -3.260 1.00 0.00 C ATOM 436 O LEU A 32 2.295 -1.372 -2.065 1.00 0.00 O ATOM 437 CB LEU A 32 3.817 0.442 -4.091 1.00 0.00 C ATOM 438 CG LEU A 32 4.407 0.519 -2.683 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.223 -0.728 -2.378 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.263 1.768 -2.530 1.00 0.00 C ATOM 0 H LEU A 32 0.892 0.324 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 32 2.466 -0.763 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.568 0.014 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.625 1.457 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 32 3.586 0.576 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.635 -0.656 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.583 -1.607 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.037 -0.816 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.675 1.806 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.078 1.742 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.651 2.653 -2.705 1.00 0.00 H new ATOM 452 N VAL A 33 2.830 -2.732 -3.777 1.00 0.00 N ATOM 453 CA VAL A 33 2.878 -3.933 -2.952 1.00 0.00 C ATOM 454 C VAL A 33 4.318 -4.360 -2.687 1.00 0.00 C ATOM 455 O VAL A 33 5.211 -4.102 -3.493 1.00 0.00 O ATOM 456 CB VAL A 33 2.121 -5.100 -3.613 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.746 -6.148 -2.577 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.885 -4.589 -4.337 1.00 0.00 C ATOM 0 H VAL A 33 3.035 -2.890 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 33 2.395 -3.687 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 33 2.778 -5.568 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.212 -6.965 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.650 -6.535 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.107 -5.697 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.362 -5.426 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.224 -4.096 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.183 -3.878 -5.108 1.00 0.00 H new ATOM 468 N ARG A 34 4.535 -5.018 -1.552 1.00 0.00 N ATOM 469 CA ARG A 34 5.867 -5.481 -1.181 1.00 0.00 C ATOM 470 C ARG A 34 5.783 -6.708 -0.278 1.00 0.00 C ATOM 471 O ARG A 34 4.694 -7.206 0.009 1.00 0.00 O ATOM 472 CB ARG A 34 6.639 -4.366 -0.473 1.00 0.00 C ATOM 473 CG ARG A 34 6.338 -4.266 1.013 1.00 0.00 C ATOM 474 CD ARG A 34 6.507 -2.843 1.521 1.00 0.00 C ATOM 475 NE ARG A 34 5.652 -1.901 0.804 1.00 0.00 N ATOM 476 CZ ARG A 34 4.328 -1.883 0.909 1.00 0.00 C ATOM 477 NH1 ARG A 34 3.711 -2.752 1.698 1.00 0.00 N ATOM 478 NH2 ARG A 34 3.619 -0.995 0.224 1.00 0.00 N ATOM 0 H ARG A 34 3.806 -5.242 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 34 6.396 -5.757 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.708 -4.533 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.403 -3.414 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.319 -4.602 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.001 -4.932 1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.273 -2.808 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.549 -2.541 1.414 1.00 0.00 H new ATOM 0 HE ARG A 34 6.096 -1.219 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.253 -3.436 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.694 -2.736 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.091 -0.325 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.602 -0.982 0.305 1.00 0.00 H new ATOM 492 N GLU A 35 6.939 -7.191 0.165 1.00 0.00 N ATOM 493 CA GLU A 35 6.995 -8.361 1.034 1.00 0.00 C ATOM 494 C GLU A 35 7.370 -7.963 2.459 1.00 0.00 C ATOM 495 O GLU A 35 8.331 -7.225 2.676 1.00 0.00 O ATOM 496 CB GLU A 35 8.004 -9.377 0.494 1.00 0.00 C ATOM 497 CG GLU A 35 7.448 -10.260 -0.609 1.00 0.00 C ATOM 498 CD GLU A 35 8.405 -11.364 -1.012 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.104 -11.895 -0.123 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.455 -11.698 -2.214 1.00 0.00 O ATOM 0 H GLU A 35 7.849 -6.791 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 35 6.005 -8.817 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.876 -8.844 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.346 -10.007 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.509 -10.702 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.220 -9.646 -1.480 1.00 0.00 H new ATOM 507 N SER A 36 6.605 -8.458 3.426 1.00 0.00 N ATOM 508 CA SER A 36 6.854 -8.152 4.830 1.00 0.00 C ATOM 509 C SER A 36 8.257 -8.588 5.241 1.00 0.00 C ATOM 510 O SER A 36 9.028 -9.089 4.423 1.00 0.00 O ATOM 511 CB SER A 36 5.812 -8.840 5.716 1.00 0.00 C ATOM 512 OG SER A 36 4.567 -8.167 5.656 1.00 0.00 O ATOM 0 H SER A 36 5.807 -9.073 3.263 1.00 0.00 H new ATOM 0 HA SER A 36 6.776 -7.073 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.685 -9.875 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.166 -8.865 6.747 1.00 0.00 H new ATOM 0 HG SER A 36 3.891 -8.764 5.272 1.00 0.00 H new ATOM 518 N LEU A 37 8.579 -8.394 6.515 1.00 0.00 N ATOM 519 CA LEU A 37 9.889 -8.767 7.037 1.00 0.00 C ATOM 520 C LEU A 37 9.753 -9.703 8.234 1.00 0.00 C ATOM 521 O LEU A 37 9.253 -9.310 9.288 1.00 0.00 O ATOM 522 CB LEU A 37 10.674 -7.517 7.441 1.00 0.00 C ATOM 523 CG LEU A 37 10.963 -6.516 6.322 1.00 0.00 C ATOM 524 CD1 LEU A 37 11.199 -5.127 6.896 1.00 0.00 C ATOM 525 CD2 LEU A 37 12.162 -6.966 5.500 1.00 0.00 C ATOM 0 H LEU A 37 7.952 -7.981 7.205 1.00 0.00 H new ATOM 0 HA LEU A 37 10.430 -9.291 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.121 -7.003 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.624 -7.832 7.873 1.00 0.00 H new ATOM 0 HG LEU A 37 10.094 -6.473 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.403 -4.428 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.312 -4.803 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.051 -5.154 7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.353 -6.242 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.038 -7.039 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.955 -7.941 5.058 1.00 0.00 H new ATOM 537 N SER A 38 10.201 -10.942 8.064 1.00 0.00 N ATOM 538 CA SER A 38 10.128 -11.935 9.128 1.00 0.00 C ATOM 539 C SER A 38 8.683 -12.154 9.568 1.00 0.00 C ATOM 540 O SER A 38 8.382 -12.168 10.761 1.00 0.00 O ATOM 541 CB SER A 38 10.975 -11.496 10.324 1.00 0.00 C ATOM 542 OG SER A 38 11.075 -12.532 11.286 1.00 0.00 O ATOM 0 H SER A 38 10.619 -11.282 7.198 1.00 0.00 H new ATOM 0 HA SER A 38 10.519 -12.876 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.971 -11.214 9.984 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.532 -10.612 10.782 1.00 0.00 H new ATOM 0 HG SER A 38 10.177 -12.818 11.554 1.00 0.00 H new ATOM 548 N GLN A 39 7.794 -12.325 8.594 1.00 0.00 N ATOM 549 CA GLN A 39 6.381 -12.542 8.880 1.00 0.00 C ATOM 550 C GLN A 39 5.869 -13.793 8.173 1.00 0.00 C ATOM 551 O GLN A 39 6.188 -14.055 7.013 1.00 0.00 O ATOM 552 CB GLN A 39 5.559 -11.327 8.449 1.00 0.00 C ATOM 553 CG GLN A 39 5.382 -10.292 9.549 1.00 0.00 C ATOM 554 CD GLN A 39 4.408 -9.195 9.166 1.00 0.00 C ATOM 555 OE1 GLN A 39 4.800 -8.163 8.620 1.00 0.00 O ATOM 556 NE2 GLN A 39 3.129 -9.412 9.452 1.00 0.00 N ATOM 0 H GLN A 39 8.027 -12.317 7.601 1.00 0.00 H new ATOM 0 HA GLN A 39 6.271 -12.683 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.043 -10.856 7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.577 -11.663 8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.029 -10.786 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.349 -9.848 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.848 -10.282 9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.428 -8.709 9.219 1.00 0.00 H new ATOM 565 N PRO A 40 5.056 -14.585 8.887 1.00 0.00 N ATOM 566 CA PRO A 40 4.483 -15.823 8.349 1.00 0.00 C ATOM 567 C PRO A 40 3.436 -15.555 7.272 1.00 0.00 C ATOM 568 O PRO A 40 2.321 -15.128 7.568 1.00 0.00 O ATOM 569 CB PRO A 40 3.836 -16.476 9.573 1.00 0.00 C ATOM 570 CG PRO A 40 3.540 -15.343 10.495 1.00 0.00 C ATOM 571 CD PRO A 40 4.635 -14.336 10.276 1.00 0.00 C ATOM 0 HA PRO A 40 5.236 -16.445 7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.927 -17.013 9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.507 -17.199 10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.563 -14.910 10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.520 -15.678 11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.275 -13.316 10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.458 -14.478 10.977 1.00 0.00 H new ATOM 579 N GLY A 41 3.804 -15.810 6.020 1.00 0.00 N ATOM 580 CA GLY A 41 2.886 -15.591 4.918 1.00 0.00 C ATOM 581 C GLY A 41 2.005 -14.375 5.130 1.00 0.00 C ATOM 582 O GLY A 41 0.788 -14.498 5.269 1.00 0.00 O ATOM 0 H GLY A 41 4.721 -16.164 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.453 -15.468 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.258 -16.473 4.791 1.00 0.00 H new ATOM 586 N ASP A 42 2.622 -13.199 5.155 1.00 0.00 N ATOM 587 CA ASP A 42 1.886 -11.954 5.351 1.00 0.00 C ATOM 588 C ASP A 42 2.480 -10.834 4.503 1.00 0.00 C ATOM 589 O ASP A 42 3.676 -10.555 4.571 1.00 0.00 O ATOM 590 CB ASP A 42 1.902 -11.557 6.827 1.00 0.00 C ATOM 591 CG ASP A 42 0.722 -12.123 7.593 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.428 -11.814 7.221 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.950 -12.876 8.563 1.00 0.00 O ATOM 0 H ASP A 42 3.629 -13.081 5.042 1.00 0.00 H new ATOM 0 HA ASP A 42 0.855 -12.115 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.828 -11.905 7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.896 -10.470 6.908 1.00 0.00 H new ATOM 598 N PHE A 43 1.633 -10.194 3.703 1.00 0.00 N ATOM 599 CA PHE A 43 2.072 -9.104 2.839 1.00 0.00 C ATOM 600 C PHE A 43 1.554 -7.762 3.349 1.00 0.00 C ATOM 601 O PHE A 43 0.840 -7.700 4.350 1.00 0.00 O ATOM 602 CB PHE A 43 1.594 -9.337 1.404 1.00 0.00 C ATOM 603 CG PHE A 43 1.943 -10.696 0.869 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.397 -11.839 1.433 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.817 -10.832 -0.197 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.715 -13.091 0.943 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.138 -12.082 -0.692 1.00 0.00 C ATOM 608 CZ PHE A 43 2.588 -13.213 -0.121 1.00 0.00 C ATOM 0 H PHE A 43 0.639 -10.411 3.635 1.00 0.00 H new ATOM 0 HA PHE A 43 3.162 -9.081 2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.513 -9.206 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.031 -8.577 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.715 -11.749 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.252 -9.952 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.282 -13.973 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.819 -12.174 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.840 -14.190 -0.505 1.00 0.00 H new ATOM 618 N VAL A 44 1.919 -6.691 2.652 1.00 0.00 N ATOM 619 CA VAL A 44 1.492 -5.350 3.033 1.00 0.00 C ATOM 620 C VAL A 44 1.283 -4.470 1.806 1.00 0.00 C ATOM 621 O VAL A 44 1.955 -4.636 0.788 1.00 0.00 O ATOM 622 CB VAL A 44 2.516 -4.677 3.965 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.067 -3.269 4.326 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.728 -5.515 5.217 1.00 0.00 C ATOM 0 H VAL A 44 2.509 -6.726 1.821 1.00 0.00 H new ATOM 0 HA VAL A 44 0.546 -5.459 3.564 1.00 0.00 H new ATOM 0 HB VAL A 44 3.467 -4.605 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.804 -2.810 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.972 -2.674 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.104 -3.313 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.455 -5.024 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.782 -5.621 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.099 -6.501 4.937 1.00 0.00 H new ATOM 634 N LEU A 45 0.346 -3.533 1.908 1.00 0.00 N ATOM 635 CA LEU A 45 0.049 -2.625 0.806 1.00 0.00 C ATOM 636 C LEU A 45 0.156 -1.171 1.255 1.00 0.00 C ATOM 637 O LEU A 45 -0.263 -0.818 2.356 1.00 0.00 O ATOM 638 CB LEU A 45 -1.353 -2.899 0.258 1.00 0.00 C ATOM 639 CG LEU A 45 -1.878 -1.898 -0.771 1.00 0.00 C ATOM 640 CD1 LEU A 45 -0.971 -1.861 -1.991 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.304 -2.247 -1.174 1.00 0.00 C ATOM 0 H LEU A 45 -0.221 -3.383 2.743 1.00 0.00 H new ATOM 0 HA LEU A 45 0.781 -2.798 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.357 -3.891 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.050 -2.928 1.096 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.882 -0.907 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.361 -1.143 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.033 -1.563 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.934 -2.850 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.662 -1.524 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.325 -3.246 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.947 -2.221 -0.295 1.00 0.00 H new ATOM 653 N SER A 46 0.719 -0.331 0.391 1.00 0.00 N ATOM 654 CA SER A 46 0.883 1.085 0.699 1.00 0.00 C ATOM 655 C SER A 46 0.275 1.953 -0.398 1.00 0.00 C ATOM 656 O SER A 46 0.248 1.568 -1.567 1.00 0.00 O ATOM 657 CB SER A 46 2.365 1.423 0.870 1.00 0.00 C ATOM 658 OG SER A 46 2.924 0.723 1.968 1.00 0.00 O ATOM 0 H SER A 46 1.069 -0.607 -0.527 1.00 0.00 H new ATOM 0 HA SER A 46 0.361 1.291 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.907 1.169 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.481 2.496 1.021 1.00 0.00 H new ATOM 0 HG SER A 46 2.863 1.277 2.774 1.00 0.00 H new ATOM 664 N VAL A 47 -0.214 3.127 -0.012 1.00 0.00 N ATOM 665 CA VAL A 47 -0.822 4.052 -0.962 1.00 0.00 C ATOM 666 C VAL A 47 -0.641 5.498 -0.514 1.00 0.00 C ATOM 667 O VAL A 47 -0.744 5.809 0.674 1.00 0.00 O ATOM 668 CB VAL A 47 -2.325 3.766 -1.141 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.941 4.745 -2.128 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.543 2.331 -1.595 1.00 0.00 C ATOM 0 H VAL A 47 -0.201 3.460 0.952 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.316 3.904 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.820 3.898 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.003 4.527 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.817 5.762 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.445 4.648 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.610 2.146 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.036 2.169 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.139 1.648 -0.848 1.00 0.00 H new ATOM 680 N LEU A 48 -0.369 6.378 -1.471 1.00 0.00 N ATOM 681 CA LEU A 48 -0.174 7.794 -1.176 1.00 0.00 C ATOM 682 C LEU A 48 -1.438 8.593 -1.479 1.00 0.00 C ATOM 683 O LEU A 48 -1.693 8.957 -2.626 1.00 0.00 O ATOM 684 CB LEU A 48 0.999 8.347 -1.986 1.00 0.00 C ATOM 685 CG LEU A 48 1.569 9.686 -1.516 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.202 9.541 -0.141 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.582 10.216 -2.519 1.00 0.00 C ATOM 0 H LEU A 48 -0.278 6.137 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 48 0.049 7.891 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.802 7.610 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.680 8.455 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 48 0.751 10.403 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.603 10.503 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.449 9.206 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.009 8.809 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.977 11.169 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.398 9.501 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.098 10.358 -3.485 1.00 0.00 H new ATOM 699 N SER A 49 -2.224 8.862 -0.442 1.00 0.00 N ATOM 700 CA SER A 49 -3.462 9.617 -0.597 1.00 0.00 C ATOM 701 C SER A 49 -3.185 11.004 -1.166 1.00 0.00 C ATOM 702 O SER A 49 -2.065 11.511 -1.081 1.00 0.00 O ATOM 703 CB SER A 49 -4.181 9.740 0.749 1.00 0.00 C ATOM 704 OG SER A 49 -3.324 10.286 1.737 1.00 0.00 O ATOM 0 H SER A 49 -2.026 8.569 0.515 1.00 0.00 H new ATOM 0 HA SER A 49 -4.102 9.078 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.062 10.372 0.638 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.531 8.759 1.069 1.00 0.00 H new ATOM 0 HG SER A 49 -3.777 11.027 2.190 1.00 0.00 H new ATOM 710 N ASP A 50 -4.211 11.613 -1.748 1.00 0.00 N ATOM 711 CA ASP A 50 -4.080 12.943 -2.333 1.00 0.00 C ATOM 712 C ASP A 50 -4.183 14.022 -1.258 1.00 0.00 C ATOM 713 O ASP A 50 -4.140 15.215 -1.557 1.00 0.00 O ATOM 714 CB ASP A 50 -5.155 13.164 -3.398 1.00 0.00 C ATOM 715 CG ASP A 50 -5.345 14.630 -3.733 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.371 15.265 -4.191 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.466 15.143 -3.540 1.00 0.00 O ATOM 0 H ASP A 50 -5.143 11.207 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.097 13.012 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.883 12.620 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.100 12.749 -3.048 1.00 0.00 H new ATOM 722 N GLN A 51 -4.318 13.592 -0.007 1.00 0.00 N ATOM 723 CA GLN A 51 -4.428 14.522 1.111 1.00 0.00 C ATOM 724 C GLN A 51 -3.059 14.809 1.718 1.00 0.00 C ATOM 725 O GLN A 51 -2.451 13.959 2.368 1.00 0.00 O ATOM 726 CB GLN A 51 -5.364 13.956 2.181 1.00 0.00 C ATOM 727 CG GLN A 51 -6.774 13.691 1.678 1.00 0.00 C ATOM 728 CD GLN A 51 -7.581 12.827 2.628 1.00 0.00 C ATOM 729 OE1 GLN A 51 -8.421 13.326 3.377 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.329 11.523 2.602 1.00 0.00 N ATOM 0 H GLN A 51 -4.354 12.607 0.257 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.841 15.457 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.943 13.026 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.411 14.654 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.288 14.641 1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.723 13.203 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.624 11.152 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.841 10.892 3.219 1.00 0.00 H new ATOM 739 N PRO A 52 -2.560 16.034 1.498 1.00 0.00 N ATOM 740 CA PRO A 52 -1.257 16.462 2.015 1.00 0.00 C ATOM 741 C PRO A 52 -1.259 16.627 3.530 1.00 0.00 C ATOM 742 O PRO A 52 -2.278 16.980 4.125 1.00 0.00 O ATOM 743 CB PRO A 52 -1.030 17.812 1.330 1.00 0.00 C ATOM 744 CG PRO A 52 -2.397 18.314 1.020 1.00 0.00 C ATOM 745 CD PRO A 52 -3.230 17.097 0.729 1.00 0.00 C ATOM 0 HA PRO A 52 -0.477 15.728 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.494 18.501 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.434 17.701 0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.806 18.875 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.380 18.989 0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.264 17.232 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.251 16.870 -0.337 1.00 0.00 H new ATOM 753 N LYS A 53 -0.113 16.371 4.150 1.00 0.00 N ATOM 754 CA LYS A 53 0.018 16.493 5.598 1.00 0.00 C ATOM 755 C LYS A 53 -0.450 17.865 6.073 1.00 0.00 C ATOM 756 O LYS A 53 -1.355 17.971 6.900 1.00 0.00 O ATOM 757 CB LYS A 53 1.471 16.264 6.020 1.00 0.00 C ATOM 758 CG LYS A 53 1.924 14.821 5.882 1.00 0.00 C ATOM 759 CD LYS A 53 3.334 14.626 6.411 1.00 0.00 C ATOM 760 CE LYS A 53 3.342 14.435 7.920 1.00 0.00 C ATOM 761 NZ LYS A 53 4.708 14.139 8.435 1.00 0.00 N ATOM 0 H LYS A 53 0.739 16.078 3.673 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.612 15.733 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.120 16.899 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.593 16.577 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.238 14.170 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.884 14.525 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.787 13.759 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.945 15.490 6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.959 15.335 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.669 13.620 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.671 14.016 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.064 13.267 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.345 14.928 8.203 1.00 0.00 H new ATOM 775 N ALA A 54 0.172 18.914 5.543 1.00 0.00 N ATOM 776 CA ALA A 54 -0.184 20.278 5.911 1.00 0.00 C ATOM 777 C ALA A 54 -0.816 21.016 4.736 1.00 0.00 C ATOM 778 O ALA A 54 -2.028 21.227 4.703 1.00 0.00 O ATOM 779 CB ALA A 54 1.044 21.028 6.408 1.00 0.00 C ATOM 0 H ALA A 54 0.924 18.844 4.858 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.918 20.231 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.764 22.046 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.453 20.519 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.796 21.057 5.620 1.00 0.00 H new ATOM 785 N GLY A 55 0.013 21.408 3.773 1.00 0.00 N ATOM 786 CA GLY A 55 -0.484 22.119 2.610 1.00 0.00 C ATOM 787 C GLY A 55 0.247 21.734 1.339 1.00 0.00 C ATOM 788 O GLY A 55 0.793 20.638 1.220 1.00 0.00 O ATOM 0 H GLY A 55 1.020 21.246 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.548 21.914 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.382 23.192 2.773 1.00 0.00 H new ATOM 792 N PRO A 56 0.261 22.651 0.360 1.00 0.00 N ATOM 793 CA PRO A 56 0.927 22.423 -0.927 1.00 0.00 C ATOM 794 C PRO A 56 2.445 22.395 -0.797 1.00 0.00 C ATOM 795 O PRO A 56 3.118 23.399 -1.029 1.00 0.00 O ATOM 796 CB PRO A 56 0.485 23.622 -1.771 1.00 0.00 C ATOM 797 CG PRO A 56 0.168 24.688 -0.779 1.00 0.00 C ATOM 798 CD PRO A 56 -0.370 23.979 0.433 1.00 0.00 C ATOM 0 HA PRO A 56 0.661 21.458 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.274 23.938 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.385 23.378 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.058 25.266 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.565 25.388 -1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.105 24.499 1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.457 23.909 0.408 1.00 0.00 H new ATOM 806 N GLY A 57 2.982 21.236 -0.425 1.00 0.00 N ATOM 807 CA GLY A 57 4.418 21.099 -0.270 1.00 0.00 C ATOM 808 C GLY A 57 4.798 19.910 0.588 1.00 0.00 C ATOM 809 O GLY A 57 5.840 19.288 0.374 1.00 0.00 O ATOM 0 H GLY A 57 2.447 20.390 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.878 20.996 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.820 22.008 0.176 1.00 0.00 H new ATOM 813 N SER A 58 3.953 19.592 1.563 1.00 0.00 N ATOM 814 CA SER A 58 4.209 18.471 2.461 1.00 0.00 C ATOM 815 C SER A 58 4.034 17.141 1.734 1.00 0.00 C ATOM 816 O SER A 58 3.304 17.034 0.748 1.00 0.00 O ATOM 817 CB SER A 58 3.270 18.533 3.668 1.00 0.00 C ATOM 818 OG SER A 58 2.033 17.903 3.385 1.00 0.00 O ATOM 0 H SER A 58 3.085 20.094 1.752 1.00 0.00 H new ATOM 0 HA SER A 58 5.240 18.543 2.807 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.741 18.049 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.097 19.573 3.945 1.00 0.00 H new ATOM 0 HG SER A 58 1.464 18.515 2.873 1.00 0.00 H new ATOM 824 N PRO A 59 4.720 16.102 2.231 1.00 0.00 N ATOM 825 CA PRO A 59 4.658 14.759 1.646 1.00 0.00 C ATOM 826 C PRO A 59 3.303 14.095 1.863 1.00 0.00 C ATOM 827 O PRO A 59 2.919 13.801 2.996 1.00 0.00 O ATOM 828 CB PRO A 59 5.754 13.995 2.392 1.00 0.00 C ATOM 829 CG PRO A 59 5.894 14.708 3.692 1.00 0.00 C ATOM 830 CD PRO A 59 5.610 16.157 3.404 1.00 0.00 C ATOM 0 HA PRO A 59 4.795 14.779 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.478 12.951 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.691 14.001 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.196 14.313 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.896 14.581 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.130 16.649 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.524 16.711 3.190 1.00 0.00 H new ATOM 838 N LEU A 60 2.582 13.860 0.772 1.00 0.00 N ATOM 839 CA LEU A 60 1.268 13.228 0.843 1.00 0.00 C ATOM 840 C LEU A 60 1.237 12.159 1.930 1.00 0.00 C ATOM 841 O LEU A 60 2.253 11.530 2.226 1.00 0.00 O ATOM 842 CB LEU A 60 0.905 12.610 -0.508 1.00 0.00 C ATOM 843 CG LEU A 60 0.513 13.593 -1.612 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.292 12.860 -2.926 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.735 14.369 -1.218 1.00 0.00 C ATOM 0 H LEU A 60 2.885 14.097 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 60 0.535 13.995 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.755 12.023 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.078 11.916 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 60 1.330 14.301 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.014 13.576 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.210 12.350 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.507 12.128 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.999 15.063 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.559 13.674 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.543 14.926 -0.301 1.00 0.00 H new ATOM 857 N ARG A 61 0.063 11.957 2.520 1.00 0.00 N ATOM 858 CA ARG A 61 -0.102 10.963 3.574 1.00 0.00 C ATOM 859 C ARG A 61 -0.004 9.550 3.007 1.00 0.00 C ATOM 860 O ARG A 61 -0.425 9.292 1.879 1.00 0.00 O ATOM 861 CB ARG A 61 -1.447 11.152 4.276 1.00 0.00 C ATOM 862 CG ARG A 61 -1.463 10.642 5.708 1.00 0.00 C ATOM 863 CD ARG A 61 -0.969 11.700 6.682 1.00 0.00 C ATOM 864 NE ARG A 61 -1.167 11.299 8.072 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.795 12.040 9.110 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.209 13.212 8.916 1.00 0.00 N ATOM 867 NH2 ARG A 61 -1.009 11.607 10.347 1.00 0.00 N ATOM 0 H ARG A 61 -0.788 12.469 2.286 1.00 0.00 H new ATOM 0 HA ARG A 61 0.700 11.101 4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.703 12.212 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.220 10.636 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.476 10.343 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.837 9.753 5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.090 11.888 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.494 12.637 6.497 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.615 10.401 8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.042 13.548 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.075 13.778 9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.459 10.705 10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.723 12.177 11.143 1.00 0.00 H new ATOM 881 N VAL A 62 0.552 8.637 3.798 1.00 0.00 N ATOM 882 CA VAL A 62 0.704 7.250 3.376 1.00 0.00 C ATOM 883 C VAL A 62 -0.150 6.320 4.230 1.00 0.00 C ATOM 884 O VAL A 62 -0.143 6.404 5.458 1.00 0.00 O ATOM 885 CB VAL A 62 2.174 6.797 3.455 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.310 5.347 3.017 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.057 7.702 2.610 1.00 0.00 C ATOM 0 H VAL A 62 0.905 8.834 4.735 1.00 0.00 H new ATOM 0 HA VAL A 62 0.371 7.196 2.340 1.00 0.00 H new ATOM 0 HB VAL A 62 2.503 6.871 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.355 5.045 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.709 4.712 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.963 5.243 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.092 7.367 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.730 7.662 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.983 8.726 2.975 1.00 0.00 H new ATOM 897 N THR A 63 -0.886 5.430 3.570 1.00 0.00 N ATOM 898 CA THR A 63 -1.747 4.483 4.268 1.00 0.00 C ATOM 899 C THR A 63 -1.183 3.070 4.194 1.00 0.00 C ATOM 900 O THR A 63 -1.220 2.430 3.142 1.00 0.00 O ATOM 901 CB THR A 63 -3.173 4.486 3.686 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.848 5.696 4.049 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.964 3.288 4.187 1.00 0.00 C ATOM 0 H THR A 63 -0.903 5.346 2.554 1.00 0.00 H new ATOM 0 HA THR A 63 -1.787 4.801 5.310 1.00 0.00 H new ATOM 0 HB THR A 63 -3.099 4.424 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.451 5.521 4.801 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.968 3.312 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.463 2.369 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.029 3.324 5.274 1.00 0.00 H new ATOM 911 N HIS A 64 -0.660 2.587 5.316 1.00 0.00 N ATOM 912 CA HIS A 64 -0.088 1.246 5.379 1.00 0.00 C ATOM 913 C HIS A 64 -1.127 0.234 5.851 1.00 0.00 C ATOM 914 O HIS A 64 -1.597 0.296 6.988 1.00 0.00 O ATOM 915 CB HIS A 64 1.121 1.227 6.314 1.00 0.00 C ATOM 916 CG HIS A 64 2.114 2.312 6.030 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.848 2.375 4.865 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.492 3.381 6.769 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.636 3.434 4.900 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.438 4.063 6.044 1.00 0.00 N ATOM 0 H HIS A 64 -0.620 3.104 6.194 1.00 0.00 H new ATOM 0 HA HIS A 64 0.235 0.968 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.776 1.322 7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.618 0.260 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.119 3.648 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.325 3.735 4.125 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.911 4.917 6.341 1.00 0.00 H new ATOM 929 N ILE A 65 -1.482 -0.697 4.971 1.00 0.00 N ATOM 930 CA ILE A 65 -2.464 -1.722 5.299 1.00 0.00 C ATOM 931 C ILE A 65 -1.831 -3.108 5.310 1.00 0.00 C ATOM 932 O ILE A 65 -1.358 -3.596 4.283 1.00 0.00 O ATOM 933 CB ILE A 65 -3.639 -1.715 4.302 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.336 -0.353 4.311 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.626 -2.822 4.639 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.971 0.009 2.987 1.00 0.00 C ATOM 0 H ILE A 65 -1.104 -0.762 4.026 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.841 -1.490 6.295 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.247 -1.896 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.103 -0.352 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.611 0.415 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.450 -2.804 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.122 -3.787 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.014 -2.669 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.446 0.987 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.205 0.040 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.720 -0.739 2.726 1.00 0.00 H new ATOM 948 N LYS A 66 -1.824 -3.741 6.478 1.00 0.00 N ATOM 949 CA LYS A 66 -1.251 -5.074 6.625 1.00 0.00 C ATOM 950 C LYS A 66 -2.133 -6.122 5.953 1.00 0.00 C ATOM 951 O LYS A 66 -3.233 -6.414 6.421 1.00 0.00 O ATOM 952 CB LYS A 66 -1.072 -5.415 8.106 1.00 0.00 C ATOM 953 CG LYS A 66 -0.040 -4.552 8.809 1.00 0.00 C ATOM 954 CD LYS A 66 0.522 -5.244 10.039 1.00 0.00 C ATOM 955 CE LYS A 66 -0.366 -5.027 11.255 1.00 0.00 C ATOM 956 NZ LYS A 66 0.300 -5.464 12.513 1.00 0.00 N ATOM 0 H LYS A 66 -2.209 -3.352 7.338 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.276 -5.079 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.031 -5.306 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.780 -6.461 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.771 -4.319 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.494 -3.604 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.620 -6.312 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.523 -4.865 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.627 -3.971 11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.298 -5.578 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.337 -5.300 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.527 -6.477 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.176 -4.921 12.649 1.00 0.00 H new ATOM 970 N VAL A 67 -1.641 -6.686 4.854 1.00 0.00 N ATOM 971 CA VAL A 67 -2.383 -7.704 4.120 1.00 0.00 C ATOM 972 C VAL A 67 -2.233 -9.073 4.775 1.00 0.00 C ATOM 973 O VAL A 67 -1.122 -9.583 4.922 1.00 0.00 O ATOM 974 CB VAL A 67 -1.915 -7.794 2.656 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.789 -8.762 1.873 1.00 0.00 C ATOM 976 CG2 VAL A 67 -1.920 -6.416 2.010 1.00 0.00 C ATOM 0 H VAL A 67 -0.732 -6.455 4.453 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.432 -7.407 4.141 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.893 -8.174 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.442 -8.812 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.729 -9.753 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.823 -8.416 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.587 -6.498 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.930 -6.006 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.247 -5.755 2.557 1.00 0.00 H new ATOM 986 N MET A 68 -3.358 -9.663 5.165 1.00 0.00 N ATOM 987 CA MET A 68 -3.351 -10.974 5.802 1.00 0.00 C ATOM 988 C MET A 68 -3.443 -12.085 4.761 1.00 0.00 C ATOM 989 O MET A 68 -3.768 -11.835 3.600 1.00 0.00 O ATOM 990 CB MET A 68 -4.513 -11.090 6.791 1.00 0.00 C ATOM 991 CG MET A 68 -4.286 -10.326 8.086 1.00 0.00 C ATOM 992 SD MET A 68 -5.798 -10.129 9.050 1.00 0.00 S ATOM 993 CE MET A 68 -6.571 -8.761 8.192 1.00 0.00 C ATOM 0 H MET A 68 -4.285 -9.254 5.051 1.00 0.00 H new ATOM 0 HA MET A 68 -2.410 -11.083 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.422 -10.722 6.316 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.678 -12.142 7.023 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.542 -10.850 8.687 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.875 -9.343 7.856 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.597 -8.646 8.541 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.015 -7.845 8.392 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.573 -8.958 7.120 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.154 -13.312 5.184 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.202 -14.460 4.286 1.00 0.00 C ATOM 1005 C CYS A 69 -4.059 -15.576 4.878 1.00 0.00 C ATOM 1006 O CYS A 69 -3.859 -15.985 6.021 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.790 -14.978 4.009 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.740 -16.517 3.064 1.00 0.00 S ATOM 0 H CYS A 69 -2.884 -13.536 6.142 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.653 -14.138 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.234 -14.213 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.278 -15.131 4.959 1.00 0.00 H new ATOM 0 HG CYS A 69 -0.503 -16.873 2.879 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.014 -16.062 4.091 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.902 -17.128 4.539 1.00 0.00 C ATOM 1016 C GLU A 70 -5.764 -18.360 3.649 1.00 0.00 C ATOM 1017 O GLU A 70 -6.579 -18.589 2.756 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.354 -16.646 4.540 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.661 -15.642 5.639 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.110 -16.304 6.926 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.273 -16.961 7.579 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.299 -16.164 7.281 1.00 0.00 O ATOM 0 H GLU A 70 -5.192 -15.735 3.141 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.617 -17.401 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.579 -16.194 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.014 -17.507 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.773 -15.041 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.439 -14.960 5.296 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.725 -19.152 3.900 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.499 -20.351 3.113 1.00 0.00 C ATOM 1031 C GLY A 71 -4.297 -20.048 1.641 1.00 0.00 C ATOM 1032 O GLY A 71 -4.976 -20.615 0.786 1.00 0.00 O ATOM 0 H GLY A 71 -4.036 -18.985 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.623 -20.874 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.349 -21.024 3.229 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.362 -19.151 1.346 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.090 -18.789 -0.033 1.00 0.00 C ATOM 1038 C GLY A 72 -3.756 -17.486 -0.432 1.00 0.00 C ATOM 1039 O GLY A 72 -3.110 -16.596 -0.985 1.00 0.00 O ATOM 0 H GLY A 72 -2.788 -18.668 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.013 -18.702 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.436 -19.587 -0.690 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.051 -17.375 -0.152 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.804 -16.174 -0.488 1.00 0.00 C ATOM 1045 C ARG A 73 -5.352 -14.992 0.365 1.00 0.00 C ATOM 1046 O ARG A 73 -4.495 -15.135 1.237 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.302 -16.414 -0.292 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.807 -17.684 -0.958 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.004 -18.262 -0.219 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.580 -19.406 -0.919 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.072 -20.632 -0.868 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -7.982 -20.872 -0.151 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.653 -21.622 -1.534 1.00 0.00 N ATOM 0 H ARG A 73 -5.600 -18.103 0.307 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.614 -15.938 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.517 -16.463 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.853 -15.562 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.084 -17.470 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.006 -18.423 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.699 -18.566 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.764 -17.490 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.419 -19.255 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.532 -20.114 0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.594 -21.814 -0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.491 -21.442 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.261 -22.563 -1.493 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.933 -13.826 0.106 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.588 -12.619 0.847 1.00 0.00 C ATOM 1069 C TYR A 74 -6.841 -11.831 1.219 1.00 0.00 C ATOM 1070 O TYR A 74 -7.820 -11.808 0.473 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.646 -11.739 0.022 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.386 -12.450 -0.418 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.572 -13.098 0.503 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.009 -12.472 -1.755 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.420 -13.747 0.105 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.859 -13.120 -2.162 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.068 -13.756 -1.228 1.00 0.00 C ATOM 1078 OH TYR A 74 0.079 -14.403 -1.630 1.00 0.00 O ATOM 0 H TYR A 74 -6.645 -13.691 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.083 -12.920 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.177 -11.379 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.373 -10.863 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.845 -13.094 1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.626 -11.974 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.798 -14.245 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.581 -13.129 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 74 0.844 -14.059 -1.122 1.00 0.00 H new ATOM 1088 N THR A 75 -6.802 -11.185 2.381 1.00 0.00 N ATOM 1089 CA THR A 75 -7.932 -10.396 2.854 1.00 0.00 C ATOM 1090 C THR A 75 -7.462 -9.180 3.643 1.00 0.00 C ATOM 1091 O THR A 75 -6.376 -9.184 4.222 1.00 0.00 O ATOM 1092 CB THR A 75 -8.872 -11.236 3.740 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.145 -10.590 3.854 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.274 -11.439 5.124 1.00 0.00 C ATOM 0 H THR A 75 -6.000 -11.193 3.011 1.00 0.00 H new ATOM 0 HA THR A 75 -8.477 -10.064 1.970 1.00 0.00 H new ATOM 0 HB THR A 75 -9.001 -12.212 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.450 -10.629 4.785 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.956 -12.035 5.731 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.319 -11.958 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.118 -10.470 5.599 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.288 -8.137 3.663 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.956 -6.914 4.384 1.00 0.00 C ATOM 1104 C VAL A 76 -9.012 -6.593 5.436 1.00 0.00 C ATOM 1105 O VAL A 76 -9.949 -5.837 5.180 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.823 -5.716 3.424 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.725 -5.970 2.404 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.150 -5.437 2.733 1.00 0.00 C ATOM 0 H VAL A 76 -9.191 -8.115 3.188 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.998 -7.085 4.875 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.550 -4.835 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.645 -5.114 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.776 -6.117 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.965 -6.862 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.038 -4.588 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.455 -6.315 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.909 -5.208 3.481 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.853 -7.173 6.622 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.800 -6.936 7.695 1.00 0.00 C ATOM 1120 C GLY A 77 -11.103 -7.684 7.496 1.00 0.00 C ATOM 1121 O GLY A 77 -11.584 -8.362 8.403 1.00 0.00 O ATOM 0 H GLY A 77 -8.086 -7.802 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.353 -7.237 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.005 -5.868 7.765 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.679 -7.560 6.303 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.930 -8.234 6.009 1.00 0.00 C ATOM 1127 C GLY A 78 -12.772 -9.739 5.925 1.00 0.00 C ATOM 1128 O GLY A 78 -11.657 -10.247 5.801 1.00 0.00 O ATOM 0 H GLY A 78 -11.301 -7.005 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.660 -7.991 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.327 -7.860 5.065 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.890 -10.454 5.996 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.870 -11.911 5.930 1.00 0.00 C ATOM 1134 C LEU A 79 -13.662 -12.388 4.496 1.00 0.00 C ATOM 1135 O LEU A 79 -13.255 -13.526 4.263 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.176 -12.483 6.485 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.326 -12.457 8.006 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.738 -12.858 8.409 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.302 -13.374 8.660 1.00 0.00 C ATOM 0 H LEU A 79 -14.820 -10.049 6.099 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.037 -12.267 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.007 -11.929 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.269 -13.515 6.148 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.145 -11.439 8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.827 -12.834 9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.453 -12.162 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.946 -13.866 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.424 -13.342 9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.450 -14.395 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.297 -13.042 8.398 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.940 -11.509 3.539 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.781 -11.840 2.127 1.00 0.00 C ATOM 1153 C GLU A 80 -12.378 -12.369 1.848 1.00 0.00 C ATOM 1154 O GLU A 80 -11.570 -12.533 2.762 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.059 -10.612 1.258 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.514 -10.477 0.841 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.814 -11.185 -0.466 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.968 -11.124 -1.382 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.896 -11.800 -0.573 1.00 0.00 O ATOM 0 H GLU A 80 -14.276 -10.562 3.715 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.500 -12.621 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.762 -9.717 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.437 -10.662 0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.152 -10.884 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.764 -9.420 0.743 1.00 0.00 H new ATOM 1166 N THR A 81 -12.094 -12.634 0.576 1.00 0.00 N ATOM 1167 CA THR A 81 -10.790 -13.147 0.174 1.00 0.00 C ATOM 1168 C THR A 81 -10.525 -12.875 -1.302 1.00 0.00 C ATOM 1169 O THR A 81 -11.438 -12.544 -2.057 1.00 0.00 O ATOM 1170 CB THR A 81 -10.676 -14.661 0.436 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.541 -15.377 -0.453 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.035 -14.989 1.877 1.00 0.00 C ATOM 0 H THR A 81 -12.750 -12.502 -0.194 1.00 0.00 H new ATOM 0 HA THR A 81 -10.045 -12.626 0.776 1.00 0.00 H new ATOM 0 HB THR A 81 -9.644 -14.963 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.585 -16.317 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.947 -16.063 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.356 -14.464 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.059 -14.674 2.077 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.267 -13.019 -1.707 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.881 -12.789 -3.094 1.00 0.00 C ATOM 1182 C PHE A 82 -7.789 -13.765 -3.524 1.00 0.00 C ATOM 1183 O PHE A 82 -6.847 -14.029 -2.776 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.395 -11.350 -3.279 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.413 -10.318 -2.887 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.587 -9.968 -1.558 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.196 -9.698 -3.847 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.525 -9.021 -1.194 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.135 -8.748 -3.489 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.298 -8.408 -2.161 1.00 0.00 C ATOM 0 H PHE A 82 -8.499 -13.294 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.758 -12.953 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.492 -11.201 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.120 -11.199 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.983 -10.441 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.072 -9.960 -4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.654 -8.760 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.740 -8.273 -4.247 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.028 -7.664 -1.879 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.924 -14.299 -4.733 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.949 -15.246 -5.263 1.00 0.00 C ATOM 1202 C ASP A 83 -5.533 -14.855 -4.855 1.00 0.00 C ATOM 1203 O ASP A 83 -4.794 -15.661 -4.289 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.053 -15.316 -6.788 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.244 -16.131 -7.250 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.185 -17.375 -7.156 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.236 -15.524 -7.707 1.00 0.00 O ATOM 0 H ASP A 83 -8.698 -14.093 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.169 -16.228 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.129 -14.306 -7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.139 -15.752 -7.192 1.00 0.00 H new ATOM 1212 N SER A 84 -5.161 -13.612 -5.144 1.00 0.00 N ATOM 1213 CA SER A 84 -3.831 -13.116 -4.811 1.00 0.00 C ATOM 1214 C SER A 84 -3.805 -11.590 -4.810 1.00 0.00 C ATOM 1215 O SER A 84 -4.833 -10.940 -5.001 1.00 0.00 O ATOM 1216 CB SER A 84 -2.798 -13.654 -5.804 1.00 0.00 C ATOM 1217 OG SER A 84 -2.282 -14.903 -5.376 1.00 0.00 O ATOM 0 H SER A 84 -5.762 -12.930 -5.608 1.00 0.00 H new ATOM 0 HA SER A 84 -3.580 -13.468 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.256 -13.764 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.983 -12.938 -5.910 1.00 0.00 H new ATOM 0 HG SER A 84 -2.990 -15.414 -4.930 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.622 -11.025 -4.593 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.461 -9.575 -4.567 1.00 0.00 C ATOM 1225 C LEU A 85 -3.140 -8.929 -5.770 1.00 0.00 C ATOM 1226 O LEU A 85 -3.715 -7.845 -5.666 1.00 0.00 O ATOM 1227 CB LEU A 85 -0.976 -9.208 -4.548 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.314 -9.164 -3.170 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.016 -8.158 -2.273 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.316 -10.546 -2.532 1.00 0.00 C ATOM 0 H LEU A 85 -1.761 -11.548 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.935 -9.198 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.437 -9.926 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.857 -8.231 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 85 0.721 -8.847 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.531 -8.140 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.960 -7.167 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.061 -8.444 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.159 -10.495 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.343 -10.893 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.235 -11.240 -3.167 1.00 0.00 H new ATOM 1242 N THR A 86 -3.073 -9.605 -6.914 1.00 0.00 N ATOM 1243 CA THR A 86 -3.682 -9.097 -8.138 1.00 0.00 C ATOM 1244 C THR A 86 -5.190 -8.947 -7.979 1.00 0.00 C ATOM 1245 O THR A 86 -5.727 -7.843 -8.081 1.00 0.00 O ATOM 1246 CB THR A 86 -3.393 -10.023 -9.334 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.979 -10.174 -9.506 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.008 -9.467 -10.610 1.00 0.00 C ATOM 0 H THR A 86 -2.604 -10.505 -7.018 1.00 0.00 H new ATOM 0 HA THR A 86 -3.240 -8.119 -8.330 1.00 0.00 H new ATOM 0 HB THR A 86 -3.840 -10.996 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.803 -10.766 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.791 -10.138 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.087 -9.381 -10.486 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.587 -8.483 -10.818 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.869 -10.061 -7.727 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.317 -10.052 -7.553 1.00 0.00 C ATOM 1258 C ASP A 87 -7.724 -9.080 -6.449 1.00 0.00 C ATOM 1259 O ASP A 87 -8.723 -8.369 -6.571 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.820 -11.458 -7.224 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.313 -11.605 -7.448 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.030 -10.588 -7.349 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.763 -12.737 -7.723 1.00 0.00 O ATOM 0 H ASP A 87 -5.440 -10.982 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.770 -9.722 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.290 -12.184 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.587 -11.691 -6.185 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.947 -9.056 -5.373 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.228 -8.173 -4.246 1.00 0.00 C ATOM 1270 C LEU A 88 -7.077 -6.710 -4.650 1.00 0.00 C ATOM 1271 O LEU A 88 -8.049 -5.955 -4.662 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.292 -8.491 -3.078 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.531 -7.698 -1.793 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.136 -8.521 -0.576 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.759 -6.386 -1.824 1.00 0.00 C ATOM 0 H LEU A 88 -6.117 -9.638 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.259 -8.340 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.379 -9.553 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.266 -8.318 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.595 -7.470 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.313 -7.940 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.732 -9.433 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.079 -8.780 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.941 -5.835 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.693 -6.593 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.089 -5.789 -2.674 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.852 -6.316 -4.982 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.573 -4.945 -5.390 1.00 0.00 C ATOM 1289 C VAL A 89 -6.525 -4.497 -6.494 1.00 0.00 C ATOM 1290 O VAL A 89 -7.264 -3.526 -6.333 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.122 -4.790 -5.884 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.857 -3.357 -6.319 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.143 -5.217 -4.802 1.00 0.00 C ATOM 0 H VAL A 89 -5.036 -6.928 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.718 -4.317 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.979 -5.439 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.827 -3.266 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.537 -3.091 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.017 -2.685 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.123 -5.101 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.284 -4.595 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.319 -6.261 -4.543 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.501 -5.210 -7.615 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.362 -4.884 -8.746 1.00 0.00 C ATOM 1305 C GLU A 90 -8.781 -4.573 -8.278 1.00 0.00 C ATOM 1306 O GLU A 90 -9.297 -3.479 -8.508 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.387 -6.042 -9.747 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.189 -6.063 -10.682 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.482 -6.774 -11.989 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.205 -7.792 -11.960 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.989 -6.312 -13.039 1.00 0.00 O ATOM 0 H GLU A 90 -5.895 -6.017 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.956 -3.998 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.427 -6.984 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.299 -5.979 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.878 -5.039 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.353 -6.555 -10.185 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.406 -5.543 -7.617 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.766 -5.373 -7.116 1.00 0.00 C ATOM 1320 C HIS A 91 -10.876 -4.114 -6.262 1.00 0.00 C ATOM 1321 O HIS A 91 -11.965 -3.572 -6.076 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.187 -6.596 -6.301 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.515 -6.436 -5.626 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.670 -7.031 -6.088 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -12.867 -5.747 -4.516 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.675 -6.712 -5.292 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.214 -5.934 -4.330 1.00 0.00 N ATOM 0 H HIS A 91 -8.993 -6.454 -7.416 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.433 -5.269 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.225 -7.465 -6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.427 -6.799 -5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.210 -5.159 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.700 -7.033 -5.408 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.769 -5.537 -3.572 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.741 -3.656 -5.742 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.711 -2.462 -4.906 1.00 0.00 C ATOM 1338 C PHE A 92 -9.403 -1.222 -5.740 1.00 0.00 C ATOM 1339 O PHE A 92 -9.786 -0.108 -5.381 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.668 -2.617 -3.797 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.225 -3.187 -2.525 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.381 -2.667 -1.965 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.594 -4.244 -1.889 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.895 -3.189 -0.794 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.104 -4.771 -0.718 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.257 -4.243 -0.170 1.00 0.00 C ATOM 0 H PHE A 92 -8.831 -4.094 -5.885 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.696 -2.339 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.864 -3.261 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.226 -1.643 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.886 -1.844 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.693 -4.661 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.795 -2.773 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.602 -5.594 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.659 -4.654 0.745 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.710 -1.422 -6.854 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.351 -0.322 -7.742 1.00 0.00 C ATOM 1358 C LYS A 93 -9.590 0.271 -8.402 1.00 0.00 C ATOM 1359 O LYS A 93 -9.546 1.370 -8.955 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.368 -0.803 -8.813 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.094 -1.403 -8.245 1.00 0.00 C ATOM 1362 CD LYS A 93 -4.930 -1.255 -9.210 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.022 -2.254 -10.352 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.134 -1.882 -11.488 1.00 0.00 N ATOM 0 H LYS A 93 -8.385 -2.337 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.874 0.454 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.861 -1.546 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.108 0.036 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.850 -0.915 -7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.254 -2.459 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.916 -0.242 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.992 -1.399 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.752 -3.246 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.053 -2.312 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.226 -2.588 -12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.408 -0.947 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.147 -1.851 -11.161 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.697 -0.462 -8.340 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.950 -0.009 -8.931 1.00 0.00 C ATOM 1380 C LYS A 94 -12.938 0.417 -7.849 1.00 0.00 C ATOM 1381 O LYS A 94 -13.571 1.469 -7.950 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.564 -1.115 -9.790 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.538 -2.483 -9.128 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.070 -3.561 -10.057 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.587 -3.653 -9.996 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.237 -2.760 -10.995 1.00 0.00 N ATOM 0 H LYS A 94 -10.751 -1.374 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.734 0.853 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.596 -0.852 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.027 -1.168 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.517 -2.726 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.136 -2.459 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.759 -3.347 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.635 -4.523 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.896 -4.683 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.927 -3.387 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.921 -2.141 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.513 -2.178 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.731 -3.336 -11.706 1.00 0.00 H new ATOM 1400 N THR A 95 -13.064 -0.406 -6.813 1.00 0.00 N ATOM 1401 CA THR A 95 -13.974 -0.115 -5.712 1.00 0.00 C ATOM 1402 C THR A 95 -13.384 0.930 -4.772 1.00 0.00 C ATOM 1403 O THR A 95 -14.005 1.956 -4.499 1.00 0.00 O ATOM 1404 CB THR A 95 -14.305 -1.385 -4.906 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.125 -1.881 -4.266 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.890 -2.461 -5.809 1.00 0.00 C ATOM 0 H THR A 95 -12.547 -1.280 -6.713 1.00 0.00 H new ATOM 0 HA THR A 95 -14.891 0.275 -6.155 1.00 0.00 H new ATOM 0 HB THR A 95 -15.045 -1.126 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.678 -2.524 -4.856 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.116 -3.349 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.805 -2.090 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.169 -2.716 -6.585 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.177 0.663 -4.279 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.523 1.590 -3.376 1.00 0.00 C ATOM 1416 C GLY A 96 -11.484 1.080 -1.949 1.00 0.00 C ATOM 1417 O GLY A 96 -12.305 0.249 -1.557 1.00 0.00 O ATOM 0 H GLY A 96 -11.642 -0.179 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.505 1.772 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.044 2.547 -3.402 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.527 1.574 -1.171 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.384 1.162 0.220 1.00 0.00 C ATOM 1423 C ILE A 97 -10.804 2.279 1.169 1.00 0.00 C ATOM 1424 O ILE A 97 -10.413 3.432 0.997 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.935 0.749 0.539 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.568 -0.529 -0.219 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.758 0.552 2.036 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.076 -0.734 -0.370 1.00 0.00 C ATOM 0 H ILE A 97 -9.839 2.260 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.037 0.301 0.364 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.266 1.546 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.994 -1.386 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.025 -0.499 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.729 0.260 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.984 1.484 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.434 -0.229 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.889 -1.658 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.647 0.105 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.616 -0.796 0.616 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.600 1.925 2.175 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.071 2.899 3.153 1.00 0.00 C ATOM 1442 C GLU A 98 -11.341 2.729 4.483 1.00 0.00 C ATOM 1443 O GLU A 98 -11.118 1.609 4.941 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.580 2.753 3.364 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.124 3.624 4.484 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.631 3.784 4.418 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.316 2.805 4.054 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.124 4.888 4.728 1.00 0.00 O ATOM 0 H GLU A 98 -11.931 0.973 2.333 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.860 3.896 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.094 3.005 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.809 1.710 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.850 3.187 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.655 4.607 4.435 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.973 3.850 5.095 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.268 3.826 6.371 1.00 0.00 C ATOM 1457 C GLU A 99 -11.250 3.906 7.537 1.00 0.00 C ATOM 1458 O GLU A 99 -12.285 4.564 7.446 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.270 4.983 6.450 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.903 4.648 5.877 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.811 5.557 6.406 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -7.146 6.623 6.965 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.622 5.205 6.259 1.00 0.00 O ATOM 0 H GLU A 99 -11.151 4.785 4.728 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.726 2.883 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.678 5.841 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.155 5.282 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.657 3.613 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.940 4.725 4.790 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.916 3.231 8.632 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.766 3.226 9.816 1.00 0.00 C ATOM 1472 C ALA A 100 -12.357 4.608 10.072 1.00 0.00 C ATOM 1473 O ALA A 100 -13.576 4.774 10.113 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.979 2.754 11.030 1.00 0.00 C ATOM 0 H ALA A 100 -10.062 2.680 8.724 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.589 2.534 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.627 2.756 11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.609 1.744 10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.136 3.424 11.200 1.00 0.00 H new ATOM 1480 N SER A 101 -11.486 5.597 10.245 1.00 0.00 N ATOM 1481 CA SER A 101 -11.923 6.964 10.502 1.00 0.00 C ATOM 1482 C SER A 101 -12.896 7.435 9.426 1.00 0.00 C ATOM 1483 O SER A 101 -14.074 7.665 9.696 1.00 0.00 O ATOM 1484 CB SER A 101 -10.718 7.904 10.562 1.00 0.00 C ATOM 1485 OG SER A 101 -10.211 8.002 11.882 1.00 0.00 O ATOM 0 H SER A 101 -10.474 5.477 10.212 1.00 0.00 H new ATOM 0 HA SER A 101 -12.436 6.980 11.464 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.936 7.541 9.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.007 8.893 10.206 1.00 0.00 H new ATOM 0 HG SER A 101 -9.440 8.607 11.892 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.394 7.576 8.203 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.231 8.018 7.103 1.00 0.00 C ATOM 1493 C GLY A 102 -12.463 8.137 5.801 1.00 0.00 C ATOM 1494 O GLY A 102 -12.997 7.851 4.730 1.00 0.00 O ATOM 0 H GLY A 102 -11.422 7.392 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.055 7.316 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.671 8.984 7.351 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.207 8.561 5.893 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.365 8.717 4.713 1.00 0.00 C ATOM 1500 C ALA A 103 -10.592 7.580 3.723 1.00 0.00 C ATOM 1501 O ALA A 103 -10.957 6.470 4.110 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.899 8.784 5.116 1.00 0.00 C ATOM 0 H ALA A 103 -10.750 8.803 6.772 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.639 9.651 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.282 8.900 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.743 9.634 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.621 7.865 5.632 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.374 7.864 2.443 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.557 6.865 1.397 1.00 0.00 C ATOM 1510 C PHE A 104 -9.313 6.762 0.521 1.00 0.00 C ATOM 1511 O PHE A 104 -8.850 7.756 -0.041 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.773 7.214 0.537 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.049 6.584 1.018 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.838 7.222 1.962 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.459 5.355 0.528 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.013 6.646 2.407 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.632 4.775 0.969 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.410 5.420 1.911 1.00 0.00 C ATOM 0 H PHE A 104 -10.071 8.777 2.106 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.724 5.900 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.896 8.297 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.585 6.897 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.531 8.180 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.854 4.845 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.620 7.154 3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.941 3.817 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.326 4.966 2.259 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.773 5.552 0.409 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.582 5.317 -0.400 1.00 0.00 C ATOM 1530 C VAL A 105 -7.954 4.905 -1.819 1.00 0.00 C ATOM 1531 O VAL A 105 -8.823 4.057 -2.023 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.688 4.228 0.222 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.493 3.941 -0.674 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.233 4.642 1.614 1.00 0.00 C ATOM 0 H VAL A 105 -9.141 4.719 0.868 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.030 6.256 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.272 3.312 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.873 3.169 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.842 3.597 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.906 4.851 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.602 3.861 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.666 5.571 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.104 4.791 2.252 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.291 5.511 -2.798 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.552 5.208 -4.200 1.00 0.00 C ATOM 1546 C TYR A 106 -6.294 4.693 -4.890 1.00 0.00 C ATOM 1547 O TYR A 106 -5.245 5.336 -4.856 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.071 6.453 -4.923 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.332 7.025 -4.316 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.383 6.197 -3.941 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.473 8.393 -4.119 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.537 6.717 -3.386 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.622 8.920 -3.564 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.652 8.078 -3.199 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.799 8.599 -2.648 1.00 0.00 O ATOM 0 H TYR A 106 -6.569 6.215 -2.646 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.312 4.427 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.294 7.218 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.261 6.204 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.297 5.130 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.670 9.056 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.345 6.060 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.714 9.986 -3.416 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.718 9.574 -2.584 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.407 3.527 -5.518 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.279 2.922 -6.217 1.00 0.00 C ATOM 1567 C LEU A 107 -5.405 3.119 -7.725 1.00 0.00 C ATOM 1568 O LEU A 107 -5.791 2.202 -8.450 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.191 1.431 -5.892 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.418 1.049 -4.428 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.892 0.768 -4.173 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.572 -0.159 -4.055 1.00 0.00 C ATOM 0 H LEU A 107 -7.268 2.982 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.367 3.415 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.923 0.903 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.207 1.071 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.114 1.888 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.035 0.498 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.477 1.659 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.221 -0.054 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.746 -0.417 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.845 -1.004 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.518 0.077 -4.200 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.075 4.320 -8.189 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.151 4.636 -9.611 1.00 0.00 C ATOM 1586 C ARG A 108 -3.994 3.996 -10.373 1.00 0.00 C ATOM 1587 O ARG A 108 -4.207 3.227 -11.310 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.136 6.152 -9.819 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.235 6.880 -9.064 1.00 0.00 C ATOM 1590 CD ARG A 108 -7.480 7.052 -9.920 1.00 0.00 C ATOM 1591 NE ARG A 108 -8.262 5.821 -10.001 1.00 0.00 N ATOM 1592 CZ ARG A 108 -9.539 5.784 -10.365 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -10.174 6.904 -10.682 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -10.183 4.625 -10.415 1.00 0.00 N ATOM 0 H ARG A 108 -4.753 5.089 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.086 4.232 -9.998 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.169 6.544 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.235 6.365 -10.883 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.487 6.324 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.873 7.858 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.098 7.848 -9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.190 7.364 -10.923 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.802 4.942 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.682 7.797 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.155 6.873 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.698 3.761 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.164 4.598 -10.695 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.772 4.318 -9.962 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.582 3.775 -10.608 1.00 0.00 C ATOM 1610 C GLN A 109 -0.575 3.287 -9.571 1.00 0.00 C ATOM 1611 O GLN A 109 -0.386 3.898 -8.519 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.936 4.832 -11.505 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.555 6.105 -10.770 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.708 7.083 -10.658 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.707 6.964 -11.368 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.575 8.057 -9.766 1.00 0.00 N ATOM 0 H GLN A 109 -2.580 4.951 -9.186 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.887 2.926 -11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.044 4.408 -11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.625 5.081 -12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.201 5.851 -9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.274 6.585 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.729 8.117 -9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.318 8.745 -9.648 1.00 0.00 H new ATOM 1625 N PRO A 110 0.087 2.161 -9.872 1.00 0.00 N ATOM 1626 CA PRO A 110 1.085 1.567 -8.979 1.00 0.00 C ATOM 1627 C PRO A 110 2.356 2.404 -8.890 1.00 0.00 C ATOM 1628 O PRO A 110 2.370 3.571 -9.285 1.00 0.00 O ATOM 1629 CB PRO A 110 1.382 0.213 -9.630 1.00 0.00 C ATOM 1630 CG PRO A 110 1.055 0.405 -11.071 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.089 1.381 -11.109 1.00 0.00 C ATOM 0 HA PRO A 110 0.721 1.493 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.426 -0.070 -9.495 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.777 -0.579 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.915 0.790 -11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.777 -0.540 -11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.046 2.016 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.052 0.871 -11.129 1.00 0.00 H new ATOM 1639 N TYR A 111 3.420 1.804 -8.370 1.00 0.00 N ATOM 1640 CA TYR A 111 4.695 2.497 -8.227 1.00 0.00 C ATOM 1641 C TYR A 111 5.856 1.584 -8.612 1.00 0.00 C ATOM 1642 O TYR A 111 6.162 0.621 -7.911 1.00 0.00 O ATOM 1643 CB TYR A 111 4.874 2.990 -6.790 1.00 0.00 C ATOM 1644 CG TYR A 111 6.206 3.661 -6.542 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.377 5.019 -6.777 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.294 2.935 -6.073 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.592 5.636 -6.552 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.513 3.544 -5.844 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.657 4.894 -6.085 1.00 0.00 C ATOM 1650 OH TYR A 111 9.870 5.504 -5.859 1.00 0.00 O ATOM 0 H TYR A 111 3.425 0.839 -8.040 1.00 0.00 H new ATOM 0 HA TYR A 111 4.691 3.355 -8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.074 3.691 -6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.770 2.145 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.545 5.603 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.185 1.877 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.708 6.693 -6.741 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.349 2.966 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 111 10.513 4.841 -5.531 1.00 0.00 H new ATOM 1660 N TYR A 112 6.500 1.898 -9.732 1.00 0.00 N ATOM 1661 CA TYR A 112 7.626 1.107 -10.213 1.00 0.00 C ATOM 1662 C TYR A 112 8.950 1.716 -9.762 1.00 0.00 C ATOM 1663 O TYR A 112 9.193 2.909 -9.945 1.00 0.00 O ATOM 1664 CB TYR A 112 7.592 1.006 -11.739 1.00 0.00 C ATOM 1665 CG TYR A 112 6.200 0.828 -12.302 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.472 -0.328 -12.054 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.613 1.816 -13.083 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.200 -0.496 -12.567 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.343 1.659 -13.600 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.640 0.500 -13.339 1.00 0.00 C ATOM 1671 OH TYR A 112 2.373 0.338 -13.852 1.00 0.00 O ATOM 0 H TYR A 112 6.261 2.694 -10.323 1.00 0.00 H new ATOM 0 HA TYR A 112 7.542 0.107 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.035 1.907 -12.165 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.212 0.167 -12.053 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.908 -1.110 -11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.161 2.724 -13.289 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.648 -1.402 -12.365 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.902 2.438 -14.205 1.00 0.00 H new ATOM 0 HH TYR A 112 2.127 1.131 -14.372 1.00 0.00 H new ATOM 1681 N SER A 113 9.805 0.886 -9.172 1.00 0.00 N ATOM 1682 CA SER A 113 11.105 1.341 -8.691 1.00 0.00 C ATOM 1683 C SER A 113 12.124 1.369 -9.826 1.00 0.00 C ATOM 1684 O SER A 113 13.177 1.996 -9.714 1.00 0.00 O ATOM 1685 CB SER A 113 11.603 0.433 -7.565 1.00 0.00 C ATOM 1686 OG SER A 113 11.735 -0.906 -8.011 1.00 0.00 O ATOM 0 H SER A 113 9.621 -0.105 -9.016 1.00 0.00 H new ATOM 0 HA SER A 113 10.988 2.354 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.564 0.795 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.908 0.474 -6.726 1.00 0.00 H new ATOM 0 HG SER A 113 11.117 -1.480 -7.511 1.00 0.00 H new ATOM 1692 N GLY A 114 11.802 0.684 -10.919 1.00 0.00 N ATOM 1693 CA GLY A 114 12.699 0.643 -12.059 1.00 0.00 C ATOM 1694 C GLY A 114 13.624 -0.558 -12.026 1.00 0.00 C ATOM 1695 O GLY A 114 14.306 -0.817 -11.033 1.00 0.00 O ATOM 0 H GLY A 114 10.936 0.157 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.113 0.621 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.294 1.556 -12.082 1.00 0.00 H new ATOM 1699 N PRO A 115 13.655 -1.317 -13.132 1.00 0.00 N ATOM 1700 CA PRO A 115 14.498 -2.510 -13.249 1.00 0.00 C ATOM 1701 C PRO A 115 15.982 -2.166 -13.326 1.00 0.00 C ATOM 1702 O PRO A 115 16.367 -1.167 -13.932 1.00 0.00 O ATOM 1703 CB PRO A 115 14.030 -3.149 -14.559 1.00 0.00 C ATOM 1704 CG PRO A 115 13.469 -2.019 -15.351 1.00 0.00 C ATOM 1705 CD PRO A 115 12.869 -1.069 -14.352 1.00 0.00 C ATOM 0 HA PRO A 115 14.401 -3.163 -12.382 1.00 0.00 H new ATOM 0 HB2 PRO A 115 14.857 -3.628 -15.083 1.00 0.00 H new ATOM 0 HB3 PRO A 115 13.279 -3.918 -14.378 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.247 -1.529 -15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.715 -2.372 -16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 115 12.954 -0.033 -14.681 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.809 -1.268 -14.195 1.00 0.00 H new ATOM 1713 N SER A 116 16.811 -3.002 -12.707 1.00 0.00 N ATOM 1714 CA SER A 116 18.253 -2.783 -12.702 1.00 0.00 C ATOM 1715 C SER A 116 18.966 -3.851 -13.526 1.00 0.00 C ATOM 1716 O SER A 116 19.647 -3.545 -14.504 1.00 0.00 O ATOM 1717 CB SER A 116 18.786 -2.788 -11.268 1.00 0.00 C ATOM 1718 OG SER A 116 18.377 -3.954 -10.576 1.00 0.00 O ATOM 0 H SER A 116 16.509 -3.836 -12.203 1.00 0.00 H new ATOM 0 HA SER A 116 18.450 -1.810 -13.151 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.874 -2.732 -11.281 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.428 -1.904 -10.741 1.00 0.00 H new ATOM 0 HG SER A 116 18.732 -3.934 -9.663 1.00 0.00 H new ATOM 1724 N SER A 117 18.805 -5.107 -13.122 1.00 0.00 N ATOM 1725 CA SER A 117 19.435 -6.221 -13.819 1.00 0.00 C ATOM 1726 C SER A 117 18.846 -6.393 -15.215 1.00 0.00 C ATOM 1727 O SER A 117 17.658 -6.675 -15.369 1.00 0.00 O ATOM 1728 CB SER A 117 19.264 -7.514 -13.018 1.00 0.00 C ATOM 1729 OG SER A 117 17.956 -8.036 -13.167 1.00 0.00 O ATOM 0 H SER A 117 18.243 -5.378 -12.315 1.00 0.00 H new ATOM 0 HA SER A 117 20.498 -6.000 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.994 -8.252 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.464 -7.322 -11.964 1.00 0.00 H new ATOM 0 HG SER A 117 17.450 -7.477 -13.793 1.00 0.00 H new ATOM 1735 N GLY A 118 19.686 -6.219 -16.231 1.00 0.00 N ATOM 1736 CA GLY A 118 19.231 -6.358 -17.603 1.00 0.00 C ATOM 1737 C GLY A 118 18.518 -5.118 -18.105 1.00 0.00 C ATOM 1738 O GLY A 118 18.789 -4.027 -17.605 1.00 0.00 O ATOM 0 H GLY A 118 20.673 -5.984 -16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 118 20.085 -6.568 -18.247 1.00 0.00 H new ATOM 0 HA3 GLY A 118 18.560 -7.214 -17.675 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 19.726 -1.028 13.357 1.00 0.00 N ATOM 1744 CA MET B 1 19.442 -0.748 14.759 1.00 0.00 C ATOM 1745 C MET B 1 18.214 0.147 14.898 1.00 0.00 C ATOM 1746 O MET B 1 17.239 -0.221 15.553 1.00 0.00 O ATOM 1747 CB MET B 1 20.650 -0.084 15.424 1.00 0.00 C ATOM 1748 CG MET B 1 20.542 -0.002 16.938 1.00 0.00 C ATOM 1749 SD MET B 1 19.747 1.515 17.498 1.00 0.00 S ATOM 1750 CE MET B 1 21.147 2.402 18.177 1.00 0.00 C ATOM 0 H1 MET B 1 20.565 -1.638 13.288 1.00 0.00 H new ATOM 0 H2 MET B 1 18.911 -1.510 12.927 1.00 0.00 H new ATOM 0 H3 MET B 1 19.905 -0.135 12.854 1.00 0.00 H new ATOM 0 HA MET B 1 19.237 -1.695 15.258 1.00 0.00 H new ATOM 0 HB2 MET B 1 21.550 -0.640 15.162 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.769 0.922 15.021 1.00 0.00 H new ATOM 0 HG2 MET B 1 19.978 -0.860 17.305 1.00 0.00 H new ATOM 0 HG3 MET B 1 21.539 -0.067 17.373 1.00 0.00 H new ATOM 0 HE1 MET B 1 20.814 3.365 18.565 1.00 0.00 H new ATOM 0 HE2 MET B 1 21.590 1.819 18.984 1.00 0.00 H new ATOM 0 HE3 MET B 1 21.890 2.563 17.396 1.00 0.00 H new ATOM 1760 N ASP B 2 18.271 1.320 14.279 1.00 0.00 N ATOM 1761 CA ASP B 2 17.163 2.267 14.333 1.00 0.00 C ATOM 1762 C ASP B 2 15.980 1.768 13.508 1.00 0.00 C ATOM 1763 O ASP B 2 15.854 2.091 12.328 1.00 0.00 O ATOM 1764 CB ASP B 2 17.610 3.639 13.827 1.00 0.00 C ATOM 1765 CG ASP B 2 16.623 4.735 14.174 1.00 0.00 C ATOM 1766 OD1 ASP B 2 15.414 4.542 13.929 1.00 0.00 O ATOM 1767 OD2 ASP B 2 17.058 5.786 14.690 1.00 0.00 O ATOM 0 H ASP B 2 19.072 1.639 13.734 1.00 0.00 H new ATOM 0 HA ASP B 2 16.846 2.357 15.372 1.00 0.00 H new ATOM 0 HB2 ASP B 2 18.583 3.881 14.255 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.739 3.600 12.745 1.00 0.00 H new ATOM 1772 N ASN B 3 15.118 0.976 14.138 1.00 0.00 N ATOM 1773 CA ASN B 3 13.947 0.430 13.461 1.00 0.00 C ATOM 1774 C ASN B 3 12.750 1.364 13.610 1.00 0.00 C ATOM 1775 O ASN B 3 12.033 1.314 14.608 1.00 0.00 O ATOM 1776 CB ASN B 3 13.605 -0.951 14.024 1.00 0.00 C ATOM 1777 CG ASN B 3 13.695 -0.997 15.538 1.00 0.00 C ATOM 1778 OD1 ASN B 3 13.122 -0.155 16.230 1.00 0.00 O ATOM 1779 ND2 ASN B 3 14.416 -1.983 16.058 1.00 0.00 N ATOM 0 H ASN B 3 15.208 0.698 15.115 1.00 0.00 H new ATOM 0 HA ASN B 3 14.181 0.334 12.401 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.597 -1.227 13.714 1.00 0.00 H new ATOM 0 HB3 ASN B 3 14.283 -1.691 13.600 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.513 -2.065 17.070 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.873 -2.658 15.445 1.00 0.00 H new ATOM 1786 N GLN B 4 12.540 2.212 12.608 1.00 0.00 N ATOM 1787 CA GLN B 4 11.428 3.156 12.628 1.00 0.00 C ATOM 1788 C GLN B 4 10.112 2.443 12.921 1.00 0.00 C ATOM 1789 O GLN B 4 9.970 1.249 12.657 1.00 0.00 O ATOM 1790 CB GLN B 4 11.335 3.893 11.291 1.00 0.00 C ATOM 1791 CG GLN B 4 10.360 5.060 11.307 1.00 0.00 C ATOM 1792 CD GLN B 4 10.917 6.278 12.014 1.00 0.00 C ATOM 1793 OE1 GLN B 4 10.588 6.543 13.171 1.00 0.00 O ATOM 1794 NE2 GLN B 4 11.768 7.028 11.323 1.00 0.00 N ATOM 0 H GLN B 4 13.124 2.265 11.773 1.00 0.00 H new ATOM 0 HA GLN B 4 11.612 3.879 13.423 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.324 4.260 11.018 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.032 3.188 10.517 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.102 5.326 10.282 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.437 4.750 11.798 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.013 6.772 10.367 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.176 7.860 11.749 1.00 0.00 H new ATOM 1803 N GLY B 5 9.153 3.182 13.468 1.00 0.00 N ATOM 1804 CA GLY B 5 7.862 2.603 13.788 1.00 0.00 C ATOM 1805 C GLY B 5 6.707 3.430 13.257 1.00 0.00 C ATOM 1806 O GLY B 5 6.189 4.305 13.951 1.00 0.00 O ATOM 0 H GLY B 5 9.247 4.172 13.695 1.00 0.00 H new ATOM 0 HA2 GLY B 5 7.806 1.597 13.372 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.769 2.507 14.870 1.00 0.00 H new ATOM 1810 N VAL B 6 6.304 3.154 12.021 1.00 0.00 N ATOM 1811 CA VAL B 6 5.204 3.879 11.396 1.00 0.00 C ATOM 1812 C VAL B 6 3.869 3.194 11.670 1.00 0.00 C ATOM 1813 O VAL B 6 3.765 1.969 11.614 1.00 0.00 O ATOM 1814 CB VAL B 6 5.404 3.999 9.873 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.753 4.626 9.560 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.274 2.635 9.210 1.00 0.00 C ATOM 0 H VAL B 6 6.723 2.434 11.433 1.00 0.00 H new ATOM 0 HA VAL B 6 5.194 4.877 11.833 1.00 0.00 H new ATOM 0 HB VAL B 6 4.626 4.649 9.472 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.877 4.703 8.480 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.803 5.621 10.003 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.548 4.005 9.973 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.418 2.738 8.134 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.029 1.961 9.614 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.282 2.228 9.406 1.00 0.00 H new ATOM 1826 N ILE B 7 2.850 3.995 11.965 1.00 0.00 N ATOM 1827 CA ILE B 7 1.521 3.466 12.247 1.00 0.00 C ATOM 1828 C ILE B 7 0.879 2.898 10.986 1.00 0.00 C ATOM 1829 O ILE B 7 1.039 3.442 9.894 1.00 0.00 O ATOM 1830 CB ILE B 7 0.598 4.549 12.835 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.271 5.229 14.030 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.735 3.942 13.247 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.314 4.367 15.272 1.00 0.00 C ATOM 0 H ILE B 7 2.919 5.011 12.015 1.00 0.00 H new ATOM 0 HA ILE B 7 1.646 2.669 12.980 1.00 0.00 H new ATOM 0 HB ILE B 7 0.412 5.302 12.069 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.289 5.505 13.754 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.740 6.153 14.258 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.377 4.720 13.661 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.218 3.499 12.376 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.567 3.172 14.000 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.805 4.914 16.077 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.298 4.112 15.573 1.00 0.00 H new ATOM 0 HD13 ILE B 7 1.871 3.454 15.062 1.00 0.00 H new HETATM 1845 N PTR B 8 0.148 1.798 11.146 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.519 1.154 10.022 1.00 0.00 C HETATM 1847 C PTR B 8 -2.020 1.423 10.052 1.00 0.00 C HETATM 1848 O PTR B 8 -2.734 0.917 10.918 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.258 -0.353 10.041 1.00 0.00 C HETATM 1850 CG PTR B 8 1.119 -0.736 9.548 1.00 0.00 C HETATM 1851 CD1 PTR B 8 2.259 -0.158 10.092 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.279 -1.676 8.538 1.00 0.00 C HETATM 1853 CE1 PTR B 8 3.518 -0.504 9.644 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.535 -2.029 8.084 1.00 0.00 C HETATM 1855 CZ PTR B 8 3.652 -1.441 8.640 1.00 0.00 C HETATM 1856 OH PTR B 8 4.904 -1.790 8.190 1.00 0.00 O HETATM 1857 P PTR B 8 5.864 -2.863 8.887 1.00 0.00 P HETATM 1858 O1P PTR B 8 6.814 -2.180 9.794 1.00 0.00 O HETATM 1859 O2P PTR B 8 5.061 -3.827 9.670 1.00 0.00 O HETATM 1860 O3P PTR B 8 6.630 -3.601 7.858 1.00 0.00 O HETATM 0 HE2 PTR B 8 2.643 -2.768 7.290 1.00 0.00 H new HETATM 0 HE1 PTR B 8 4.402 -0.039 10.081 1.00 0.00 H new HETATM 0 HD2 PTR B 8 0.399 -2.143 8.096 1.00 0.00 H new HETATM 0 HD1 PTR B 8 2.158 0.582 10.886 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.386 -0.722 11.058 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.007 -0.851 9.425 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.112 1.574 9.102 1.00 0.00 H new ATOM 1869 N SER B 9 -2.492 2.222 9.101 1.00 0.00 N ATOM 1870 CA SER B 9 -3.907 2.561 9.018 1.00 0.00 C ATOM 1871 C SER B 9 -4.771 1.306 9.078 1.00 0.00 C ATOM 1872 O SER B 9 -4.260 0.186 9.054 1.00 0.00 O ATOM 1873 CB SER B 9 -4.195 3.332 7.729 1.00 0.00 C ATOM 1874 OG SER B 9 -3.451 4.536 7.677 1.00 0.00 O ATOM 0 H SER B 9 -1.914 2.647 8.376 1.00 0.00 H new ATOM 0 HA SER B 9 -4.154 3.192 9.872 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.948 2.711 6.868 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.260 3.556 7.666 1.00 0.00 H new ATOM 0 HG SER B 9 -3.931 5.194 7.132 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.083 1.501 9.155 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.020 0.385 9.217 1.00 0.00 C ATOM 1882 C ASP B 10 -8.246 0.655 8.350 1.00 0.00 C ATOM 1883 O ASP B 10 -8.310 1.664 7.645 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.448 0.129 10.662 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.557 -0.879 11.360 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.320 -0.715 11.309 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.096 -1.833 11.958 1.00 0.00 O ATOM 0 H ASP B 10 -6.522 2.422 9.176 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.515 -0.502 8.834 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.431 1.068 11.215 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.477 -0.230 10.675 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.217 -0.250 8.408 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.441 -0.109 7.628 1.00 0.00 C ATOM 1894 C LEU B 11 -11.651 0.064 8.540 1.00 0.00 C ATOM 1895 O LEU B 11 -11.519 0.088 9.763 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.638 -1.329 6.726 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.530 -1.596 5.707 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.845 -2.840 4.890 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.342 -0.391 4.796 1.00 0.00 C ATOM 0 H LEU B 11 -9.180 -1.089 8.987 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.346 0.782 7.008 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.742 -2.210 7.359 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.578 -1.210 6.188 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.599 -1.767 6.247 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.046 -3.014 4.170 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.929 -3.700 5.554 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.787 -2.698 4.359 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.550 -0.599 4.077 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.271 -0.189 4.263 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.070 0.479 5.394 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.829 0.183 7.936 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.063 0.351 8.694 1.00 0.00 C ATOM 1913 C ASN B 12 -14.565 -0.989 9.222 1.00 0.00 C ATOM 1914 O ASN B 12 -14.961 -1.104 10.383 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.137 1.003 7.822 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.955 -0.016 7.053 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -17.123 -0.252 7.362 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.343 -0.626 6.045 1.00 0.00 N ATOM 0 H ASN B 12 -12.955 0.166 6.924 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.852 1.000 9.544 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.800 1.597 8.451 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.664 1.689 7.120 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.842 -1.322 5.491 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.373 -0.399 5.824 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.546 -2.001 8.362 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.999 -3.336 8.741 1.00 0.00 C ATOM 1927 C LEU B 13 -14.428 -3.741 10.096 1.00 0.00 C ATOM 1928 O LEU B 13 -15.151 -4.152 11.004 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.589 -4.355 7.677 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.422 -3.814 6.256 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.995 -3.339 6.031 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.800 -4.875 5.233 1.00 0.00 C ATOM 0 H LEU B 13 -14.222 -1.923 7.398 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.086 -3.316 8.817 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.648 -4.811 7.983 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.336 -5.149 7.656 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.091 -2.963 6.131 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.894 -2.957 5.015 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.759 -2.547 6.741 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.307 -4.172 6.175 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.675 -4.472 4.228 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.157 -5.746 5.357 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.840 -5.168 5.380 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.100 -3.620 10.239 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.402 -3.965 11.481 1.00 0.00 C ATOM 1946 C PRO B 14 -12.712 -2.988 12.610 1.00 0.00 C ATOM 1947 O PRO B 14 -12.656 -1.770 12.441 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.925 -3.883 11.093 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.886 -2.936 9.945 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.176 -3.137 9.198 1.00 0.00 C ATOM 0 HA PRO B 14 -12.703 -4.942 11.860 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.317 -3.523 11.923 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.535 -4.861 10.812 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.792 -1.907 10.291 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -10.028 -3.136 9.303 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.528 -2.209 8.747 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.065 -3.862 8.391 1.00 0.00 H new ATOM 1958 N PRO B 15 -13.045 -3.532 13.790 1.00 0.00 N ATOM 1959 CA PRO B 15 -13.369 -2.725 14.970 1.00 0.00 C ATOM 1960 C PRO B 15 -12.146 -2.008 15.535 1.00 0.00 C ATOM 1961 O PRO B 15 -12.116 -0.779 15.612 1.00 0.00 O ATOM 1962 CB PRO B 15 -13.894 -3.756 15.973 1.00 0.00 C ATOM 1963 CG PRO B 15 -13.262 -5.040 15.560 1.00 0.00 C ATOM 1964 CD PRO B 15 -13.131 -4.976 14.063 1.00 0.00 C ATOM 0 HA PRO B 15 -14.082 -1.934 14.739 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -13.620 -3.490 16.994 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.982 -3.822 15.941 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -12.287 -5.164 16.032 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -13.873 -5.890 15.862 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -12.244 -5.504 13.714 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.988 -5.429 13.565 1.00 0.00 H new TER 1972 PRO B 15