USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ 171:sc= 0.00422 (180deg=0) USER MOD Set 1.2: B 119 A O3' : rot -163:sc= 0.925 USER MOD Set 2.1: A 107 SER OG : rot 180:sc=-0.00767 USER MOD Set 2.2: A 109 ASN : amide:sc= 0 K(o=-0.0077,f=-0.79) USER MOD Set 3.1: A 98 LYS NZ :NH3+ 167:sc= 0.459 (180deg=0) USER MOD Set 3.2: B 115 U O5' : rot 30:sc= 0.399 USER MOD Set 4.1: A 48 MET CE :methyl 178:sc= -0.0935 (180deg=-0.0443) USER MOD Set 4.2: A 90 MET CE :methyl 171:sc= -0.67 (180deg=-1.02) USER MOD Set 5.1: A 47 GLN : amide:sc= -0.339 K(o=-0.74,f=-2.2) USER MOD Set 5.2: A 50 MET CE :methyl 178:sc= -0.399 (180deg=-0.0992) USER MOD Set 6.1: A 3 SER OG : rot -141:sc= 0.213 USER MOD Set 6.2: A 10 HIS : no HD1:sc= -0.0842 K(o=0.13,f=-0.43) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0529 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-0.94) USER MOD Single : A 6 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.248 K(o=0.25,f=-2.5!) USER MOD Single : A 8 HIS : no HD1:sc= 0.431 K(o=0.43,f=-2.2!) USER MOD Single : A 9 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.89) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00906 USER MOD Single : A 19 SER OG : rot 180:sc= -0.12 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.51! C(o=-2.9!,f=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ 128:sc= 0.0292 (180deg=-0.026) USER MOD Single : A 30 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.81) USER MOD Single : A 34 TYR OH : rot -55:sc= 1.24 USER MOD Single : A 35 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-9.9!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 43 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8) USER MOD Single : A 54 ASN : amide:sc= -0.0302 K(o=-0.03,f=-0.97) USER MOD Single : A 57 SER OG : rot 120:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.12) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0499 F(o=-0.62,f=-0.05) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 67 ASN : amide:sc= -0.259 K(o=-0.26,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.259 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 36:sc= 0.499 USER MOD Single : A 77 TYR OH : rot 28:sc= 0.488 USER MOD Single : A 79 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.011) USER MOD Single : A 82 SER OG : rot -115:sc= 1.35 USER MOD Single : A 84 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.61) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 91 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 0.658 (180deg=0.648) USER MOD Single : A 103 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.3!) USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0.783 (180deg=0.767) USER MOD Single : A 108 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0.903) USER MOD Single : A 111 SER OG : rot -32:sc= 0.156 USER MOD Single : A 112 LYS NZ :NH3+ -145:sc= 1.19 (180deg=0.275) USER MOD Single : B 115 U O2' : rot 57:sc= 0.774 USER MOD Single : B 116 U O2' : rot -34:sc= 1.22 USER MOD Single : B 117 U O2' : rot 28:sc= 0.105 USER MOD Single : B 118 A O2' : rot 30:sc= 1.7 USER MOD Single : B 119 A O2' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.124 15.948 -39.056 1.00 0.00 N ATOM 2 CA MET A 1 23.109 17.041 -39.152 1.00 0.00 C ATOM 3 C MET A 1 23.543 17.234 -40.604 1.00 0.00 C ATOM 4 O MET A 1 23.579 16.272 -41.370 1.00 0.00 O ATOM 5 CB MET A 1 24.303 16.776 -38.229 1.00 0.00 C ATOM 6 CG MET A 1 25.333 17.905 -38.284 1.00 0.00 C ATOM 7 SD MET A 1 24.704 19.506 -37.717 1.00 0.00 S ATOM 8 CE MET A 1 26.176 20.522 -38.017 1.00 0.00 C ATOM 0 H1 MET A 1 22.317 15.380 -38.206 1.00 0.00 H new ATOM 0 H2 MET A 1 21.166 16.348 -38.995 1.00 0.00 H new ATOM 0 H3 MET A 1 22.193 15.343 -39.899 1.00 0.00 H new ATOM 0 HA MET A 1 22.644 17.969 -38.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.950 16.657 -37.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.779 15.837 -38.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.193 17.628 -37.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.689 18.009 -39.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.973 21.552 -37.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.010 20.135 -37.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.430 20.490 -39.076 1.00 0.00 H new ATOM 20 N GLY A 2 23.871 18.473 -40.989 1.00 0.00 N ATOM 21 CA GLY A 2 24.246 18.806 -42.359 1.00 0.00 C ATOM 22 C GLY A 2 25.637 18.299 -42.747 1.00 0.00 C ATOM 23 O GLY A 2 26.057 18.479 -43.892 1.00 0.00 O ATOM 0 H GLY A 2 23.882 19.271 -40.354 1.00 0.00 H new ATOM 0 HA2 GLY A 2 23.509 18.384 -43.043 1.00 0.00 H new ATOM 0 HA3 GLY A 2 24.214 19.888 -42.484 1.00 0.00 H new ATOM 27 N SER A 3 26.357 17.674 -41.814 1.00 0.00 N ATOM 28 CA SER A 3 27.693 17.149 -42.059 1.00 0.00 C ATOM 29 C SER A 3 28.001 16.012 -41.090 1.00 0.00 C ATOM 30 O SER A 3 27.344 15.877 -40.057 1.00 0.00 O ATOM 31 CB SER A 3 28.715 18.277 -41.916 1.00 0.00 C ATOM 32 OG SER A 3 30.018 17.791 -42.168 1.00 0.00 O ATOM 0 H SER A 3 26.024 17.519 -40.863 1.00 0.00 H new ATOM 0 HA SER A 3 27.746 16.750 -43.072 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.479 19.082 -42.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.664 18.698 -40.912 1.00 0.00 H new ATOM 0 HG SER A 3 30.649 18.209 -41.546 1.00 0.00 H new ATOM 38 N SER A 4 29.000 15.194 -41.420 1.00 0.00 N ATOM 39 CA SER A 4 29.420 14.076 -40.586 1.00 0.00 C ATOM 40 C SER A 4 30.882 13.740 -40.864 1.00 0.00 C ATOM 41 O SER A 4 31.365 13.954 -41.974 1.00 0.00 O ATOM 42 CB SER A 4 28.525 12.867 -40.851 1.00 0.00 C ATOM 43 OG SER A 4 28.936 11.771 -40.061 1.00 0.00 O ATOM 0 H SER A 4 29.542 15.292 -42.279 1.00 0.00 H new ATOM 0 HA SER A 4 29.325 14.352 -39.536 1.00 0.00 H new ATOM 0 HB2 SER A 4 27.488 13.117 -40.627 1.00 0.00 H new ATOM 0 HB3 SER A 4 28.567 12.599 -41.907 1.00 0.00 H new ATOM 0 HG SER A 4 28.354 11.003 -40.239 1.00 0.00 H new ATOM 49 N HIS A 5 31.574 13.215 -39.846 1.00 0.00 N ATOM 50 CA HIS A 5 33.005 12.922 -39.871 1.00 0.00 C ATOM 51 C HIS A 5 33.857 14.168 -40.126 1.00 0.00 C ATOM 52 O HIS A 5 33.355 15.217 -40.538 1.00 0.00 O ATOM 53 CB HIS A 5 33.284 11.784 -40.859 1.00 0.00 C ATOM 54 CG HIS A 5 34.708 11.304 -40.812 1.00 0.00 C ATOM 55 ND1 HIS A 5 35.315 10.692 -39.713 1.00 0.00 N ATOM 56 CD2 HIS A 5 35.603 11.366 -41.841 1.00 0.00 C ATOM 57 CE1 HIS A 5 36.565 10.402 -40.108 1.00 0.00 C ATOM 58 NE2 HIS A 5 36.768 10.802 -41.375 1.00 0.00 N ATOM 0 H HIS A 5 31.136 12.976 -38.956 1.00 0.00 H new ATOM 0 HA HIS A 5 33.306 12.583 -38.880 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.617 10.949 -40.642 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.053 12.122 -41.869 1.00 0.00 H new ATOM 0 HD2 HIS A 5 35.431 11.776 -42.825 1.00 0.00 H new ATOM 0 HE1 HIS A 5 37.306 9.914 -39.492 1.00 0.00 H new ATOM 0 HE2 HIS A 5 37.637 10.704 -41.901 1.00 0.00 H new ATOM 66 N HIS A 6 35.162 14.065 -39.877 1.00 0.00 N ATOM 67 CA HIS A 6 36.089 15.174 -40.065 1.00 0.00 C ATOM 68 C HIS A 6 36.487 15.325 -41.532 1.00 0.00 C ATOM 69 O HIS A 6 36.535 14.346 -42.277 1.00 0.00 O ATOM 70 CB HIS A 6 37.323 14.958 -39.196 1.00 0.00 C ATOM 71 CG HIS A 6 36.990 14.795 -37.737 1.00 0.00 C ATOM 72 ND1 HIS A 6 36.479 15.798 -36.909 1.00 0.00 N ATOM 73 CD2 HIS A 6 37.168 13.657 -37.005 1.00 0.00 C ATOM 74 CE1 HIS A 6 36.354 15.230 -35.698 1.00 0.00 C ATOM 75 NE2 HIS A 6 36.758 13.948 -35.726 1.00 0.00 N ATOM 0 H HIS A 6 35.604 13.210 -39.540 1.00 0.00 H new ATOM 0 HA HIS A 6 35.591 16.096 -39.765 1.00 0.00 H new ATOM 0 HB2 HIS A 6 37.855 14.072 -39.543 1.00 0.00 H new ATOM 0 HB3 HIS A 6 37.999 15.804 -39.317 1.00 0.00 H new ATOM 0 HD2 HIS A 6 37.555 12.714 -37.361 1.00 0.00 H new ATOM 0 HE1 HIS A 6 35.979 15.735 -34.820 1.00 0.00 H new ATOM 0 HE2 HIS A 6 36.760 13.303 -34.935 1.00 0.00 H new ATOM 83 N HIS A 7 36.772 16.566 -41.941 1.00 0.00 N ATOM 84 CA HIS A 7 37.179 16.906 -43.300 1.00 0.00 C ATOM 85 C HIS A 7 38.083 18.135 -43.283 1.00 0.00 C ATOM 86 O HIS A 7 38.165 18.839 -42.277 1.00 0.00 O ATOM 87 CB HIS A 7 35.943 17.189 -44.166 1.00 0.00 C ATOM 88 CG HIS A 7 34.986 16.030 -44.254 1.00 0.00 C ATOM 89 ND1 HIS A 7 35.161 14.891 -45.047 1.00 0.00 N ATOM 90 CD2 HIS A 7 33.800 15.936 -43.585 1.00 0.00 C ATOM 91 CE1 HIS A 7 34.072 14.133 -44.823 1.00 0.00 C ATOM 92 NE2 HIS A 7 33.247 14.732 -43.946 1.00 0.00 N ATOM 0 H HIS A 7 36.724 17.375 -41.321 1.00 0.00 H new ATOM 0 HA HIS A 7 37.726 16.063 -43.722 1.00 0.00 H new ATOM 0 HB2 HIS A 7 35.417 18.053 -43.761 1.00 0.00 H new ATOM 0 HB3 HIS A 7 36.268 17.457 -45.171 1.00 0.00 H new ATOM 0 HD2 HIS A 7 33.380 16.664 -42.907 1.00 0.00 H new ATOM 0 HE1 HIS A 7 33.886 13.174 -45.284 1.00 0.00 H new ATOM 0 HE2 HIS A 7 32.362 14.356 -43.607 1.00 0.00 H new ATOM 100 N HIS A 8 38.764 18.395 -44.400 1.00 0.00 N ATOM 101 CA HIS A 8 39.649 19.544 -44.546 1.00 0.00 C ATOM 102 C HIS A 8 38.869 20.859 -44.661 1.00 0.00 C ATOM 103 O HIS A 8 39.454 21.899 -44.958 1.00 0.00 O ATOM 104 CB HIS A 8 40.550 19.338 -45.762 1.00 0.00 C ATOM 105 CG HIS A 8 39.800 19.139 -47.052 1.00 0.00 C ATOM 106 ND1 HIS A 8 39.026 18.018 -47.376 1.00 0.00 N ATOM 107 CD2 HIS A 8 39.794 20.005 -48.107 1.00 0.00 C ATOM 108 CE1 HIS A 8 38.569 18.246 -48.617 1.00 0.00 C ATOM 109 NE2 HIS A 8 39.013 19.429 -49.079 1.00 0.00 N ATOM 0 H HIS A 8 38.714 17.808 -45.233 1.00 0.00 H new ATOM 0 HA HIS A 8 40.262 19.620 -43.648 1.00 0.00 H new ATOM 0 HB2 HIS A 8 41.207 20.201 -45.865 1.00 0.00 H new ATOM 0 HB3 HIS A 8 41.187 18.471 -45.587 1.00 0.00 H new ATOM 0 HD2 HIS A 8 40.303 20.956 -48.166 1.00 0.00 H new ATOM 0 HE1 HIS A 8 37.932 17.572 -49.170 1.00 0.00 H new ATOM 0 HE2 HIS A 8 38.805 19.829 -49.994 1.00 0.00 H new ATOM 117 N HIS A 9 37.557 20.815 -44.429 1.00 0.00 N ATOM 118 CA HIS A 9 36.685 21.977 -44.510 1.00 0.00 C ATOM 119 C HIS A 9 35.574 21.928 -43.461 1.00 0.00 C ATOM 120 O HIS A 9 34.691 22.785 -43.455 1.00 0.00 O ATOM 121 CB HIS A 9 36.097 22.062 -45.917 1.00 0.00 C ATOM 122 CG HIS A 9 35.352 20.815 -46.315 1.00 0.00 C ATOM 123 ND1 HIS A 9 34.178 20.342 -45.720 1.00 0.00 N ATOM 124 CD2 HIS A 9 35.702 19.978 -47.336 1.00 0.00 C ATOM 125 CE1 HIS A 9 33.861 19.222 -46.393 1.00 0.00 C ATOM 126 NE2 HIS A 9 34.755 18.981 -47.366 1.00 0.00 N ATOM 0 H HIS A 9 37.067 19.957 -44.176 1.00 0.00 H new ATOM 0 HA HIS A 9 37.275 22.870 -44.303 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.422 22.916 -45.973 1.00 0.00 H new ATOM 0 HB3 HIS A 9 36.900 22.243 -46.631 1.00 0.00 H new ATOM 0 HD2 HIS A 9 36.555 20.079 -47.991 1.00 0.00 H new ATOM 0 HE1 HIS A 9 33.004 18.600 -46.180 1.00 0.00 H new ATOM 0 HE2 HIS A 9 34.735 18.194 -48.015 1.00 0.00 H new ATOM 134 N HIS A 10 35.605 20.927 -42.571 1.00 0.00 N ATOM 135 CA HIS A 10 34.573 20.747 -41.562 1.00 0.00 C ATOM 136 C HIS A 10 34.659 21.828 -40.484 1.00 0.00 C ATOM 137 O HIS A 10 35.715 22.423 -40.269 1.00 0.00 O ATOM 138 CB HIS A 10 34.696 19.355 -40.952 1.00 0.00 C ATOM 139 CG HIS A 10 33.643 19.076 -39.910 1.00 0.00 C ATOM 140 ND1 HIS A 10 32.266 19.034 -40.145 1.00 0.00 N ATOM 141 CD2 HIS A 10 33.885 18.793 -38.596 1.00 0.00 C ATOM 142 CE1 HIS A 10 31.713 18.736 -38.959 1.00 0.00 C ATOM 143 NE2 HIS A 10 32.657 18.589 -38.013 1.00 0.00 N ATOM 0 H HIS A 10 36.346 20.227 -42.537 1.00 0.00 H new ATOM 0 HA HIS A 10 33.596 20.842 -42.037 1.00 0.00 H new ATOM 0 HB2 HIS A 10 34.623 18.609 -41.744 1.00 0.00 H new ATOM 0 HB3 HIS A 10 35.683 19.247 -40.502 1.00 0.00 H new ATOM 0 HD2 HIS A 10 34.849 18.740 -38.112 1.00 0.00 H new ATOM 0 HE1 HIS A 10 30.652 18.629 -38.788 1.00 0.00 H new ATOM 0 HE2 HIS A 10 32.491 18.365 -37.032 1.00 0.00 H new ATOM 151 N SER A 11 33.536 22.079 -39.803 1.00 0.00 N ATOM 152 CA SER A 11 33.457 23.077 -38.744 1.00 0.00 C ATOM 153 C SER A 11 32.299 22.755 -37.805 1.00 0.00 C ATOM 154 O SER A 11 31.360 22.059 -38.192 1.00 0.00 O ATOM 155 CB SER A 11 33.285 24.466 -39.359 1.00 0.00 C ATOM 156 OG SER A 11 33.244 25.446 -38.340 1.00 0.00 O ATOM 0 H SER A 11 32.657 21.592 -39.975 1.00 0.00 H new ATOM 0 HA SER A 11 34.380 23.063 -38.164 1.00 0.00 H new ATOM 0 HB2 SER A 11 34.108 24.674 -40.042 1.00 0.00 H new ATOM 0 HB3 SER A 11 32.367 24.502 -39.946 1.00 0.00 H new ATOM 0 HG SER A 11 33.135 26.333 -38.743 1.00 0.00 H new ATOM 162 N SER A 12 32.365 23.261 -36.572 1.00 0.00 N ATOM 163 CA SER A 12 31.340 23.019 -35.568 1.00 0.00 C ATOM 164 C SER A 12 30.028 23.724 -35.926 1.00 0.00 C ATOM 165 O SER A 12 30.023 24.691 -36.688 1.00 0.00 O ATOM 166 CB SER A 12 31.858 23.474 -34.206 1.00 0.00 C ATOM 167 OG SER A 12 30.880 23.261 -33.211 1.00 0.00 O ATOM 0 H SER A 12 33.132 23.849 -36.246 1.00 0.00 H new ATOM 0 HA SER A 12 31.124 21.951 -35.532 1.00 0.00 H new ATOM 0 HB2 SER A 12 32.767 22.927 -33.954 1.00 0.00 H new ATOM 0 HB3 SER A 12 32.122 24.531 -34.245 1.00 0.00 H new ATOM 0 HG SER A 12 31.227 23.556 -32.343 1.00 0.00 H new ATOM 173 N GLY A 13 28.916 23.230 -35.374 1.00 0.00 N ATOM 174 CA GLY A 13 27.597 23.800 -35.615 1.00 0.00 C ATOM 175 C GLY A 13 26.482 22.926 -35.046 1.00 0.00 C ATOM 176 O GLY A 13 25.340 23.374 -34.947 1.00 0.00 O ATOM 0 H GLY A 13 28.910 22.424 -34.749 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.544 24.792 -35.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 27.447 23.926 -36.687 1.00 0.00 H new ATOM 180 N LEU A 14 26.801 21.682 -34.672 1.00 0.00 N ATOM 181 CA LEU A 14 25.836 20.766 -34.088 1.00 0.00 C ATOM 182 C LEU A 14 25.475 21.215 -32.668 1.00 0.00 C ATOM 183 O LEU A 14 26.322 21.745 -31.952 1.00 0.00 O ATOM 184 CB LEU A 14 26.420 19.349 -34.108 1.00 0.00 C ATOM 185 CG LEU A 14 25.519 18.310 -33.432 1.00 0.00 C ATOM 186 CD1 LEU A 14 24.195 18.156 -34.179 1.00 0.00 C ATOM 187 CD2 LEU A 14 26.226 16.958 -33.429 1.00 0.00 C ATOM 0 H LEU A 14 27.737 21.289 -34.769 1.00 0.00 H new ATOM 0 HA LEU A 14 24.915 20.767 -34.670 1.00 0.00 H new ATOM 0 HB2 LEU A 14 26.594 19.050 -35.142 1.00 0.00 H new ATOM 0 HB3 LEU A 14 27.390 19.357 -33.611 1.00 0.00 H new ATOM 0 HG LEU A 14 25.317 18.648 -32.416 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.578 17.412 -33.675 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.672 19.112 -34.193 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.390 17.834 -35.202 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.589 16.215 -32.949 1.00 0.00 H new ATOM 0 HD22 LEU A 14 26.430 16.652 -34.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 27.165 17.039 -32.881 1.00 0.00 H new ATOM 199 N VAL A 15 24.221 21.004 -32.266 1.00 0.00 N ATOM 200 CA VAL A 15 23.756 21.365 -30.932 1.00 0.00 C ATOM 201 C VAL A 15 24.437 20.508 -29.859 1.00 0.00 C ATOM 202 O VAL A 15 24.478 19.286 -29.996 1.00 0.00 O ATOM 203 CB VAL A 15 22.228 21.266 -30.854 1.00 0.00 C ATOM 204 CG1 VAL A 15 21.707 21.915 -29.576 1.00 0.00 C ATOM 205 CG2 VAL A 15 21.567 21.950 -32.051 1.00 0.00 C ATOM 0 H VAL A 15 23.504 20.580 -32.855 1.00 0.00 H new ATOM 0 HA VAL A 15 24.034 22.401 -30.737 1.00 0.00 H new ATOM 0 HB VAL A 15 21.976 20.206 -30.859 1.00 0.00 H new ATOM 0 HG11 VAL A 15 20.621 21.833 -29.543 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.136 21.410 -28.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 21.992 22.967 -29.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.484 21.863 -31.967 1.00 0.00 H new ATOM 0 HG22 VAL A 15 21.846 23.004 -32.068 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.899 21.472 -32.972 1.00 0.00 H new ATOM 215 N PRO A 16 24.972 21.119 -28.792 1.00 0.00 N ATOM 216 CA PRO A 16 25.679 20.405 -27.737 1.00 0.00 C ATOM 217 C PRO A 16 24.735 19.587 -26.849 1.00 0.00 C ATOM 218 O PRO A 16 25.200 18.747 -26.079 1.00 0.00 O ATOM 219 CB PRO A 16 26.377 21.500 -26.928 1.00 0.00 C ATOM 220 CG PRO A 16 25.442 22.694 -27.085 1.00 0.00 C ATOM 221 CD PRO A 16 24.956 22.547 -28.527 1.00 0.00 C ATOM 0 HA PRO A 16 26.377 19.678 -28.153 1.00 0.00 H new ATOM 0 HB2 PRO A 16 26.496 21.215 -25.883 1.00 0.00 H new ATOM 0 HB3 PRO A 16 27.373 21.714 -27.315 1.00 0.00 H new ATOM 0 HG2 PRO A 16 24.617 22.660 -26.373 1.00 0.00 H new ATOM 0 HG3 PRO A 16 25.961 23.639 -26.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.954 22.959 -28.648 1.00 0.00 H new ATOM 0 HD3 PRO A 16 25.607 23.083 -29.218 1.00 0.00 H new ATOM 229 N ARG A 17 23.424 19.820 -26.946 1.00 0.00 N ATOM 230 CA ARG A 17 22.434 19.087 -26.169 1.00 0.00 C ATOM 231 C ARG A 17 22.306 17.654 -26.674 1.00 0.00 C ATOM 232 O ARG A 17 22.259 17.420 -27.880 1.00 0.00 O ATOM 233 CB ARG A 17 21.104 19.851 -26.220 1.00 0.00 C ATOM 234 CG ARG A 17 19.940 19.101 -25.558 1.00 0.00 C ATOM 235 CD ARG A 17 19.213 18.157 -26.522 1.00 0.00 C ATOM 236 NE ARG A 17 18.509 18.905 -27.574 1.00 0.00 N ATOM 237 CZ ARG A 17 18.854 18.929 -28.867 1.00 0.00 C ATOM 238 NH1 ARG A 17 19.915 18.265 -29.320 1.00 0.00 N ATOM 239 NH2 ARG A 17 18.122 19.631 -29.726 1.00 0.00 N ATOM 0 H ARG A 17 23.024 20.523 -27.567 1.00 0.00 H new ATOM 0 HA ARG A 17 22.748 19.016 -25.128 1.00 0.00 H new ATOM 0 HB2 ARG A 17 21.230 20.816 -25.729 1.00 0.00 H new ATOM 0 HB3 ARG A 17 20.850 20.053 -27.261 1.00 0.00 H new ATOM 0 HG2 ARG A 17 20.319 18.527 -24.712 1.00 0.00 H new ATOM 0 HG3 ARG A 17 19.228 19.824 -25.160 1.00 0.00 H new ATOM 0 HD2 ARG A 17 19.931 17.475 -26.977 1.00 0.00 H new ATOM 0 HD3 ARG A 17 18.500 17.547 -25.968 1.00 0.00 H new ATOM 0 HE ARG A 17 17.692 19.449 -27.296 1.00 0.00 H new ATOM 0 HH11 ARG A 17 20.489 17.720 -28.676 1.00 0.00 H new ATOM 0 HH12 ARG A 17 20.154 18.301 -30.311 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.305 20.146 -29.398 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.377 19.655 -30.713 1.00 0.00 H new ATOM 253 N GLY A 18 22.244 16.698 -25.746 1.00 0.00 N ATOM 254 CA GLY A 18 22.103 15.288 -26.075 1.00 0.00 C ATOM 255 C GLY A 18 22.318 14.406 -24.851 1.00 0.00 C ATOM 256 O GLY A 18 22.779 14.875 -23.809 1.00 0.00 O ATOM 0 H GLY A 18 22.291 16.885 -24.744 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.110 15.107 -26.486 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.822 15.020 -26.849 1.00 0.00 H new ATOM 260 N SER A 19 21.977 13.122 -24.975 1.00 0.00 N ATOM 261 CA SER A 19 22.131 12.152 -23.900 1.00 0.00 C ATOM 262 C SER A 19 22.125 10.731 -24.461 1.00 0.00 C ATOM 263 O SER A 19 21.733 10.510 -25.607 1.00 0.00 O ATOM 264 CB SER A 19 20.999 12.320 -22.885 1.00 0.00 C ATOM 265 OG SER A 19 21.152 11.402 -21.823 1.00 0.00 O ATOM 0 H SER A 19 21.585 12.728 -25.830 1.00 0.00 H new ATOM 0 HA SER A 19 23.086 12.325 -23.403 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.998 13.339 -22.497 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.037 12.164 -23.374 1.00 0.00 H new ATOM 0 HG SER A 19 20.422 11.521 -21.180 1.00 0.00 H new ATOM 271 N HIS A 20 22.560 9.765 -23.647 1.00 0.00 N ATOM 272 CA HIS A 20 22.579 8.358 -24.019 1.00 0.00 C ATOM 273 C HIS A 20 21.169 7.757 -24.019 1.00 0.00 C ATOM 274 O HIS A 20 20.993 6.608 -24.417 1.00 0.00 O ATOM 275 CB HIS A 20 23.478 7.604 -23.040 1.00 0.00 C ATOM 276 CG HIS A 20 24.883 8.144 -22.997 1.00 0.00 C ATOM 277 ND1 HIS A 20 25.804 8.083 -24.047 1.00 0.00 N ATOM 278 CD2 HIS A 20 25.468 8.743 -21.918 1.00 0.00 C ATOM 279 CE1 HIS A 20 26.922 8.658 -23.571 1.00 0.00 C ATOM 280 NE2 HIS A 20 26.749 9.066 -22.301 1.00 0.00 N ATOM 0 H HIS A 20 22.910 9.944 -22.706 1.00 0.00 H new ATOM 0 HA HIS A 20 22.969 8.266 -25.033 1.00 0.00 H new ATOM 0 HB2 HIS A 20 23.044 7.657 -22.042 1.00 0.00 H new ATOM 0 HB3 HIS A 20 23.508 6.551 -23.320 1.00 0.00 H new ATOM 0 HD2 HIS A 20 25.015 8.927 -20.955 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.837 8.776 -24.133 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.447 9.534 -21.722 1.00 0.00 H new ATOM 288 N MET A 21 20.172 8.530 -23.574 1.00 0.00 N ATOM 289 CA MET A 21 18.782 8.091 -23.520 1.00 0.00 C ATOM 290 C MET A 21 18.180 7.941 -24.914 1.00 0.00 C ATOM 291 O MET A 21 18.746 8.396 -25.907 1.00 0.00 O ATOM 292 CB MET A 21 17.960 9.082 -22.692 1.00 0.00 C ATOM 293 CG MET A 21 18.442 9.090 -21.244 1.00 0.00 C ATOM 294 SD MET A 21 17.525 10.230 -20.180 1.00 0.00 S ATOM 295 CE MET A 21 18.379 9.883 -18.626 1.00 0.00 C ATOM 0 H MET A 21 20.313 9.483 -23.240 1.00 0.00 H new ATOM 0 HA MET A 21 18.757 7.109 -23.047 1.00 0.00 H new ATOM 0 HB2 MET A 21 18.047 10.082 -23.117 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.905 8.811 -22.730 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.360 8.082 -20.837 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.498 9.358 -21.223 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.953 10.497 -17.832 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.261 8.829 -18.373 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.439 10.114 -18.734 1.00 0.00 H new ATOM 305 N GLN A 22 17.015 7.293 -24.972 1.00 0.00 N ATOM 306 CA GLN A 22 16.281 7.081 -26.212 1.00 0.00 C ATOM 307 C GLN A 22 15.755 8.408 -26.759 1.00 0.00 C ATOM 308 O GLN A 22 15.512 9.348 -26.000 1.00 0.00 O ATOM 309 CB GLN A 22 15.129 6.095 -25.984 1.00 0.00 C ATOM 310 CG GLN A 22 13.984 6.682 -25.145 1.00 0.00 C ATOM 311 CD GLN A 22 14.360 6.926 -23.686 1.00 0.00 C ATOM 312 OE1 GLN A 22 15.023 5.962 -23.054 1.00 0.00 O flip ATOM 313 NE2 GLN A 22 14.053 7.975 -23.128 1.00 0.00 N flip ATOM 0 H GLN A 22 16.555 6.899 -24.151 1.00 0.00 H new ATOM 0 HA GLN A 22 16.961 6.655 -26.950 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.736 5.776 -26.950 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.515 5.205 -25.487 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.663 7.623 -25.591 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.132 6.004 -25.184 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.544 8.695 -23.640 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.307 8.127 -22.152 1.00 0.00 H new ATOM 322 N LYS A 23 15.581 8.480 -28.080 1.00 0.00 N ATOM 323 CA LYS A 23 15.021 9.653 -28.743 1.00 0.00 C ATOM 324 C LYS A 23 13.588 9.381 -29.191 1.00 0.00 C ATOM 325 O LYS A 23 13.191 8.232 -29.355 1.00 0.00 O ATOM 326 CB LYS A 23 15.876 10.073 -29.945 1.00 0.00 C ATOM 327 CG LYS A 23 17.255 10.637 -29.583 1.00 0.00 C ATOM 328 CD LYS A 23 18.263 9.591 -29.089 1.00 0.00 C ATOM 329 CE LYS A 23 18.464 8.451 -30.095 1.00 0.00 C ATOM 330 NZ LYS A 23 18.989 8.941 -31.384 1.00 0.00 N ATOM 0 H LYS A 23 15.826 7.724 -28.719 1.00 0.00 H new ATOM 0 HA LYS A 23 15.019 10.471 -28.023 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.011 9.210 -30.597 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.330 10.823 -30.518 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.670 11.137 -30.458 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.131 11.396 -28.811 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.220 10.075 -28.897 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.919 9.178 -28.141 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.153 7.716 -29.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.515 7.941 -30.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.833 8.393 -31.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.262 8.830 -32.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.242 9.946 -31.296 1.00 0.00 H new ATOM 344 N GLU A 24 12.819 10.454 -29.389 1.00 0.00 N ATOM 345 CA GLU A 24 11.449 10.372 -29.874 1.00 0.00 C ATOM 346 C GLU A 24 11.153 11.507 -30.854 1.00 0.00 C ATOM 347 O GLU A 24 11.740 12.585 -30.762 1.00 0.00 O ATOM 348 CB GLU A 24 10.459 10.419 -28.711 1.00 0.00 C ATOM 349 CG GLU A 24 10.601 9.199 -27.800 1.00 0.00 C ATOM 350 CD GLU A 24 9.345 8.964 -26.957 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.457 9.844 -26.955 1.00 0.00 O ATOM 352 OE2 GLU A 24 9.279 7.892 -26.311 1.00 0.00 O ATOM 0 H GLU A 24 13.136 11.408 -29.215 1.00 0.00 H new ATOM 0 HA GLU A 24 11.335 9.421 -30.394 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.621 11.328 -28.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.442 10.467 -29.100 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.802 8.315 -28.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.459 9.336 -27.142 1.00 0.00 H new ATOM 359 N GLY A 25 10.238 11.247 -31.787 1.00 0.00 N ATOM 360 CA GLY A 25 9.800 12.222 -32.769 1.00 0.00 C ATOM 361 C GLY A 25 8.582 13.007 -32.276 1.00 0.00 C ATOM 362 O GLY A 25 8.369 13.128 -31.069 1.00 0.00 O ATOM 0 H GLY A 25 9.778 10.341 -31.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.615 12.912 -32.987 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.554 11.715 -33.702 1.00 0.00 H new ATOM 366 N PRO A 26 7.774 13.546 -33.202 1.00 0.00 N ATOM 367 CA PRO A 26 6.566 14.286 -32.891 1.00 0.00 C ATOM 368 C PRO A 26 5.488 13.361 -32.328 1.00 0.00 C ATOM 369 O PRO A 26 5.673 12.148 -32.242 1.00 0.00 O ATOM 370 CB PRO A 26 6.129 14.903 -34.219 1.00 0.00 C ATOM 371 CG PRO A 26 6.646 13.901 -35.250 1.00 0.00 C ATOM 372 CD PRO A 26 7.971 13.459 -34.638 1.00 0.00 C ATOM 0 HA PRO A 26 6.735 15.046 -32.128 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.046 15.017 -34.274 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.561 15.893 -34.366 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.960 13.064 -35.383 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.783 14.359 -36.229 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.225 12.443 -34.940 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.789 14.102 -34.963 1.00 0.00 H new ATOM 380 N GLU A 27 4.345 13.930 -31.936 1.00 0.00 N ATOM 381 CA GLU A 27 3.250 13.159 -31.368 1.00 0.00 C ATOM 382 C GLU A 27 2.726 12.117 -32.357 1.00 0.00 C ATOM 383 O GLU A 27 2.557 12.399 -33.541 1.00 0.00 O ATOM 384 CB GLU A 27 2.137 14.116 -30.917 1.00 0.00 C ATOM 385 CG GLU A 27 0.858 13.402 -30.461 1.00 0.00 C ATOM 386 CD GLU A 27 1.048 12.551 -29.203 1.00 0.00 C ATOM 387 OE1 GLU A 27 2.186 12.488 -28.686 1.00 0.00 O ATOM 388 OE2 GLU A 27 0.037 11.960 -28.760 1.00 0.00 O ATOM 0 H GLU A 27 4.159 14.931 -32.005 1.00 0.00 H new ATOM 0 HA GLU A 27 3.617 12.609 -30.501 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.510 14.733 -30.099 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.894 14.789 -31.739 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.084 14.146 -30.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.499 12.765 -31.270 1.00 0.00 H new ATOM 395 N GLY A 28 2.469 10.907 -31.852 1.00 0.00 N ATOM 396 CA GLY A 28 1.920 9.813 -32.639 1.00 0.00 C ATOM 397 C GLY A 28 2.981 9.104 -33.482 1.00 0.00 C ATOM 398 O GLY A 28 2.676 8.124 -34.159 1.00 0.00 O ATOM 0 H GLY A 28 2.640 10.663 -30.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.449 9.091 -31.972 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.139 10.198 -33.294 1.00 0.00 H new ATOM 402 N ALA A 29 4.225 9.590 -33.446 1.00 0.00 N ATOM 403 CA ALA A 29 5.329 9.027 -34.209 1.00 0.00 C ATOM 404 C ALA A 29 6.107 7.999 -33.389 1.00 0.00 C ATOM 405 O ALA A 29 7.332 7.946 -33.461 1.00 0.00 O ATOM 406 CB ALA A 29 6.230 10.155 -34.703 1.00 0.00 C ATOM 0 H ALA A 29 4.491 10.395 -32.878 1.00 0.00 H new ATOM 0 HA ALA A 29 4.929 8.496 -35.073 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.058 9.736 -35.275 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.655 10.829 -35.338 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.622 10.708 -33.849 1.00 0.00 H new ATOM 412 N ASN A 30 5.414 7.178 -32.599 1.00 0.00 N ATOM 413 CA ASN A 30 6.063 6.192 -31.748 1.00 0.00 C ATOM 414 C ASN A 30 5.252 4.906 -31.663 1.00 0.00 C ATOM 415 O ASN A 30 4.025 4.951 -31.570 1.00 0.00 O ATOM 416 CB ASN A 30 6.362 6.789 -30.368 1.00 0.00 C ATOM 417 CG ASN A 30 5.401 7.907 -29.979 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.187 7.779 -30.104 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.949 9.021 -29.505 1.00 0.00 N ATOM 0 H ASN A 30 4.396 7.181 -32.534 1.00 0.00 H new ATOM 0 HA ASN A 30 7.017 5.921 -32.200 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.313 5.999 -29.619 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.381 7.175 -30.359 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.356 9.805 -29.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.962 9.092 -29.415 1.00 0.00 H new ATOM 426 N LEU A 31 5.937 3.761 -31.695 1.00 0.00 N ATOM 427 CA LEU A 31 5.292 2.458 -31.789 1.00 0.00 C ATOM 428 C LEU A 31 5.764 1.483 -30.717 1.00 0.00 C ATOM 429 O LEU A 31 6.869 1.588 -30.188 1.00 0.00 O ATOM 430 CB LEU A 31 5.576 1.817 -33.151 1.00 0.00 C ATOM 431 CG LEU A 31 5.180 2.672 -34.354 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.435 1.852 -35.617 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.698 3.027 -34.308 1.00 0.00 C ATOM 0 H LEU A 31 6.955 3.715 -31.656 1.00 0.00 H new ATOM 0 HA LEU A 31 4.227 2.644 -31.651 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.641 1.592 -33.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.046 0.866 -33.208 1.00 0.00 H new ATOM 0 HG LEU A 31 5.762 3.593 -34.344 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.161 2.439 -36.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.491 1.589 -35.673 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.835 0.942 -35.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.443 3.636 -35.175 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.104 2.113 -34.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.486 3.587 -33.397 1.00 0.00 H new ATOM 445 N PHE A 32 4.890 0.525 -30.424 1.00 0.00 N ATOM 446 CA PHE A 32 5.141 -0.617 -29.568 1.00 0.00 C ATOM 447 C PHE A 32 5.157 -1.950 -30.292 1.00 0.00 C ATOM 448 O PHE A 32 4.454 -2.117 -31.288 1.00 0.00 O ATOM 449 CB PHE A 32 4.217 -0.633 -28.357 1.00 0.00 C ATOM 450 CG PHE A 32 4.669 0.229 -27.206 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.708 1.620 -27.339 1.00 0.00 C ATOM 452 CD2 PHE A 32 5.048 -0.371 -25.998 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.138 2.412 -26.264 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.460 0.416 -24.916 1.00 0.00 C ATOM 455 CZ PHE A 32 5.513 1.810 -25.056 1.00 0.00 C ATOM 0 H PHE A 32 3.941 0.530 -30.799 1.00 0.00 H new ATOM 0 HA PHE A 32 6.160 -0.483 -29.206 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.225 -0.306 -28.670 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.118 -1.660 -28.006 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.408 2.084 -28.267 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.022 -1.446 -25.901 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.180 3.486 -26.368 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.735 -0.047 -23.980 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.844 2.422 -24.230 1.00 0.00 H new ATOM 465 N ILE A 33 5.950 -2.901 -29.798 1.00 0.00 N ATOM 466 CA ILE A 33 6.074 -4.214 -30.410 1.00 0.00 C ATOM 467 C ILE A 33 6.111 -5.257 -29.299 1.00 0.00 C ATOM 468 O ILE A 33 6.796 -5.058 -28.299 1.00 0.00 O ATOM 469 CB ILE A 33 7.340 -4.281 -31.281 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.510 -3.084 -32.231 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.301 -5.567 -32.109 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.217 -1.891 -31.583 1.00 0.00 C ATOM 0 H ILE A 33 6.522 -2.778 -28.963 1.00 0.00 H new ATOM 0 HA ILE A 33 5.223 -4.410 -31.062 1.00 0.00 H new ATOM 0 HB ILE A 33 8.190 -4.260 -30.599 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.077 -3.402 -33.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.529 -2.768 -32.584 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.194 -5.626 -32.731 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.266 -6.428 -31.442 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.415 -5.564 -32.744 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.304 -1.082 -32.308 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.640 -1.548 -30.724 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.212 -2.192 -31.254 1.00 0.00 H new ATOM 484 N TYR A 34 5.381 -6.363 -29.462 1.00 0.00 N ATOM 485 CA TYR A 34 5.315 -7.401 -28.445 1.00 0.00 C ATOM 486 C TYR A 34 5.281 -8.751 -29.163 1.00 0.00 C ATOM 487 O TYR A 34 5.261 -8.820 -30.393 1.00 0.00 O ATOM 488 CB TYR A 34 4.018 -7.231 -27.647 1.00 0.00 C ATOM 489 CG TYR A 34 3.643 -5.811 -27.280 1.00 0.00 C ATOM 490 CD1 TYR A 34 4.087 -5.256 -26.073 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.831 -5.058 -28.141 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.692 -3.960 -25.700 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.423 -3.769 -27.774 1.00 0.00 C ATOM 494 CZ TYR A 34 2.840 -3.224 -26.544 1.00 0.00 C ATOM 495 OH TYR A 34 2.417 -1.983 -26.177 1.00 0.00 O ATOM 0 H TYR A 34 4.826 -6.558 -30.296 1.00 0.00 H new ATOM 0 HA TYR A 34 6.170 -7.341 -27.772 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.201 -7.663 -28.224 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.102 -7.812 -26.729 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.736 -5.827 -25.426 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.520 -5.473 -29.088 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.040 -3.532 -24.772 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.790 -3.194 -28.433 1.00 0.00 H new ATOM 0 HH TYR A 34 1.990 -2.030 -25.296 1.00 0.00 H new ATOM 505 N HIS A 35 5.269 -9.826 -28.368 1.00 0.00 N ATOM 506 CA HIS A 35 5.304 -11.215 -28.816 1.00 0.00 C ATOM 507 C HIS A 35 6.592 -11.559 -29.570 1.00 0.00 C ATOM 508 O HIS A 35 6.646 -12.570 -30.268 1.00 0.00 O ATOM 509 CB HIS A 35 4.055 -11.580 -29.632 1.00 0.00 C ATOM 510 CG HIS A 35 2.723 -11.206 -29.028 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.501 -11.362 -29.651 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.491 -10.668 -27.792 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.541 -10.940 -28.809 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.125 -10.511 -27.672 1.00 0.00 N ATOM 0 H HIS A 35 5.233 -9.744 -27.352 1.00 0.00 H new ATOM 0 HA HIS A 35 5.299 -11.830 -27.916 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.133 -11.101 -30.608 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.062 -12.656 -29.803 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.352 -11.734 -30.589 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.235 -10.414 -27.051 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.520 -10.944 -29.010 1.00 0.00 H new ATOM 523 N LEU A 36 7.632 -10.732 -29.438 1.00 0.00 N ATOM 524 CA LEU A 36 8.905 -10.961 -30.112 1.00 0.00 C ATOM 525 C LEU A 36 9.586 -12.205 -29.538 1.00 0.00 C ATOM 526 O LEU A 36 9.476 -12.467 -28.343 1.00 0.00 O ATOM 527 CB LEU A 36 9.826 -9.751 -29.920 1.00 0.00 C ATOM 528 CG LEU A 36 9.292 -8.488 -30.601 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.121 -7.287 -30.153 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.408 -8.609 -32.119 1.00 0.00 C ATOM 0 H LEU A 36 7.612 -9.890 -28.863 1.00 0.00 H new ATOM 0 HA LEU A 36 8.714 -11.108 -31.175 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.950 -9.559 -28.854 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.813 -9.984 -30.319 1.00 0.00 H new ATOM 0 HG LEU A 36 8.245 -8.361 -30.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.745 -6.385 -30.635 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.048 -7.178 -29.071 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.163 -7.440 -30.432 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.024 -7.702 -32.587 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.454 -8.744 -32.394 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.829 -9.467 -32.461 1.00 0.00 H new ATOM 542 N PRO A 37 10.294 -12.972 -30.376 1.00 0.00 N ATOM 543 CA PRO A 37 11.104 -14.086 -29.927 1.00 0.00 C ATOM 544 C PRO A 37 12.350 -13.557 -29.214 1.00 0.00 C ATOM 545 O PRO A 37 12.690 -12.380 -29.326 1.00 0.00 O ATOM 546 CB PRO A 37 11.444 -14.871 -31.190 1.00 0.00 C ATOM 547 CG PRO A 37 11.469 -13.788 -32.264 1.00 0.00 C ATOM 548 CD PRO A 37 10.375 -12.819 -31.814 1.00 0.00 C ATOM 0 HA PRO A 37 10.593 -14.727 -29.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.405 -15.378 -31.105 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.698 -15.636 -31.404 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.442 -13.299 -32.319 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.262 -14.197 -33.253 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.622 -11.793 -32.087 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.422 -13.054 -32.288 1.00 0.00 H new ATOM 556 N GLN A 38 13.038 -14.430 -28.475 1.00 0.00 N ATOM 557 CA GLN A 38 14.158 -14.035 -27.635 1.00 0.00 C ATOM 558 C GLN A 38 15.387 -13.616 -28.449 1.00 0.00 C ATOM 559 O GLN A 38 16.307 -13.005 -27.909 1.00 0.00 O ATOM 560 CB GLN A 38 14.477 -15.203 -26.695 1.00 0.00 C ATOM 561 CG GLN A 38 15.669 -14.903 -25.782 1.00 0.00 C ATOM 562 CD GLN A 38 15.795 -15.910 -24.645 1.00 0.00 C ATOM 563 OE1 GLN A 38 15.014 -16.852 -24.534 1.00 0.00 O ATOM 564 NE2 GLN A 38 16.792 -15.718 -23.784 1.00 0.00 N ATOM 0 H GLN A 38 12.830 -15.428 -28.446 1.00 0.00 H new ATOM 0 HA GLN A 38 13.879 -13.152 -27.060 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.602 -15.426 -26.085 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.689 -16.094 -27.285 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.586 -14.908 -26.372 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.562 -13.901 -25.367 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.424 -14.926 -23.904 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.924 -16.363 -23.005 1.00 0.00 H new ATOM 573 N GLU A 39 15.414 -13.936 -29.743 1.00 0.00 N ATOM 574 CA GLU A 39 16.554 -13.628 -30.599 1.00 0.00 C ATOM 575 C GLU A 39 16.620 -12.142 -30.973 1.00 0.00 C ATOM 576 O GLU A 39 17.617 -11.710 -31.550 1.00 0.00 O ATOM 577 CB GLU A 39 16.499 -14.511 -31.851 1.00 0.00 C ATOM 578 CG GLU A 39 15.210 -14.298 -32.645 1.00 0.00 C ATOM 579 CD GLU A 39 15.125 -15.216 -33.868 1.00 0.00 C ATOM 580 OE1 GLU A 39 16.111 -15.940 -34.137 1.00 0.00 O ATOM 581 OE2 GLU A 39 14.065 -15.184 -34.532 1.00 0.00 O ATOM 0 H GLU A 39 14.650 -14.413 -30.222 1.00 0.00 H new ATOM 0 HA GLU A 39 17.466 -13.842 -30.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.357 -14.292 -32.487 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.577 -15.558 -31.560 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.352 -14.479 -31.997 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.152 -13.259 -32.968 1.00 0.00 H new ATOM 588 N PHE A 40 15.586 -11.356 -30.655 1.00 0.00 N ATOM 589 CA PHE A 40 15.586 -9.920 -30.911 1.00 0.00 C ATOM 590 C PHE A 40 16.502 -9.079 -30.028 1.00 0.00 C ATOM 591 O PHE A 40 16.881 -9.492 -28.932 1.00 0.00 O ATOM 592 CB PHE A 40 14.168 -9.344 -31.018 1.00 0.00 C ATOM 593 CG PHE A 40 13.498 -9.559 -32.360 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.370 -10.847 -32.894 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.999 -8.460 -33.080 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.747 -11.042 -34.135 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.370 -8.651 -34.320 1.00 0.00 C ATOM 598 CZ PHE A 40 12.248 -9.944 -34.852 1.00 0.00 C ATOM 0 H PHE A 40 14.732 -11.699 -30.215 1.00 0.00 H new ATOM 0 HA PHE A 40 16.050 -9.837 -31.894 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.548 -9.793 -30.242 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.209 -8.274 -30.815 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.753 -11.695 -32.347 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.100 -7.463 -32.677 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.651 -12.039 -34.540 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.980 -7.804 -34.864 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.772 -10.093 -35.810 1.00 0.00 H new ATOM 608 N GLY A 41 16.857 -7.888 -30.514 1.00 0.00 N ATOM 609 CA GLY A 41 17.679 -6.930 -29.790 1.00 0.00 C ATOM 610 C GLY A 41 17.456 -5.526 -30.341 1.00 0.00 C ATOM 611 O GLY A 41 16.743 -5.358 -31.330 1.00 0.00 O ATOM 0 H GLY A 41 16.574 -7.561 -31.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.432 -6.956 -28.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.731 -7.201 -29.879 1.00 0.00 H new ATOM 615 N ASP A 42 18.058 -4.514 -29.712 1.00 0.00 N ATOM 616 CA ASP A 42 17.855 -3.121 -30.095 1.00 0.00 C ATOM 617 C ASP A 42 18.260 -2.904 -31.549 1.00 0.00 C ATOM 618 O ASP A 42 17.622 -2.133 -32.266 1.00 0.00 O ATOM 619 CB ASP A 42 18.719 -2.213 -29.208 1.00 0.00 C ATOM 620 CG ASP A 42 18.477 -2.388 -27.714 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.220 -1.747 -26.940 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.557 -3.151 -27.350 1.00 0.00 O ATOM 0 H ASP A 42 18.697 -4.639 -28.927 1.00 0.00 H new ATOM 0 HA ASP A 42 16.799 -2.880 -29.971 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.770 -2.410 -29.420 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.529 -1.174 -29.476 1.00 0.00 H new ATOM 627 N GLN A 43 19.322 -3.584 -31.986 1.00 0.00 N ATOM 628 CA GLN A 43 19.829 -3.450 -33.343 1.00 0.00 C ATOM 629 C GLN A 43 18.980 -4.254 -34.322 1.00 0.00 C ATOM 630 O GLN A 43 18.817 -3.864 -35.478 1.00 0.00 O ATOM 631 CB GLN A 43 21.281 -3.935 -33.361 1.00 0.00 C ATOM 632 CG GLN A 43 21.957 -3.706 -34.717 1.00 0.00 C ATOM 633 CD GLN A 43 22.213 -2.233 -35.015 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.912 -1.356 -34.212 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.780 -1.951 -36.185 1.00 0.00 N ATOM 0 H GLN A 43 19.849 -4.239 -31.408 1.00 0.00 H new ATOM 0 HA GLN A 43 19.781 -2.406 -33.654 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.844 -3.416 -32.585 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.309 -4.997 -33.119 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.904 -4.245 -34.740 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.331 -4.127 -35.504 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.018 -2.704 -36.831 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.977 -0.982 -36.436 1.00 0.00 H new ATOM 644 N ASP A 44 18.436 -5.382 -33.863 1.00 0.00 N ATOM 645 CA ASP A 44 17.607 -6.239 -34.695 1.00 0.00 C ATOM 646 C ASP A 44 16.202 -5.708 -34.951 1.00 0.00 C ATOM 647 O ASP A 44 15.689 -5.847 -36.060 1.00 0.00 O ATOM 648 CB ASP A 44 17.582 -7.664 -34.150 1.00 0.00 C ATOM 649 CG ASP A 44 18.896 -8.412 -34.387 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.943 -9.605 -34.011 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.839 -7.803 -34.937 1.00 0.00 O ATOM 0 H ASP A 44 18.560 -5.721 -32.909 1.00 0.00 H new ATOM 0 HA ASP A 44 18.082 -6.244 -35.676 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.373 -7.636 -33.081 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.766 -8.214 -34.620 1.00 0.00 H new ATOM 656 N ILE A 45 15.576 -5.099 -33.940 1.00 0.00 N ATOM 657 CA ILE A 45 14.257 -4.506 -34.116 1.00 0.00 C ATOM 658 C ILE A 45 14.408 -3.206 -34.906 1.00 0.00 C ATOM 659 O ILE A 45 13.473 -2.781 -35.582 1.00 0.00 O ATOM 660 CB ILE A 45 13.606 -4.272 -32.748 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.107 -4.043 -32.935 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.237 -3.086 -32.013 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.377 -4.038 -31.593 1.00 0.00 C ATOM 0 H ILE A 45 15.961 -5.006 -33.000 1.00 0.00 H new ATOM 0 HA ILE A 45 13.605 -5.177 -34.675 1.00 0.00 H new ATOM 0 HB ILE A 45 13.772 -5.157 -32.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.942 -3.094 -33.445 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.694 -4.824 -33.574 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.747 -2.954 -31.048 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.299 -3.277 -31.858 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.114 -2.182 -32.609 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.312 -3.873 -31.759 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.523 -4.997 -31.096 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.775 -3.240 -30.966 1.00 0.00 H new ATOM 675 N LEU A 46 15.586 -2.570 -34.834 1.00 0.00 N ATOM 676 CA LEU A 46 15.870 -1.384 -35.619 1.00 0.00 C ATOM 677 C LEU A 46 15.934 -1.762 -37.096 1.00 0.00 C ATOM 678 O LEU A 46 15.295 -1.127 -37.928 1.00 0.00 O ATOM 679 CB LEU A 46 17.196 -0.779 -35.151 1.00 0.00 C ATOM 680 CG LEU A 46 17.617 0.427 -35.994 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.715 1.632 -35.742 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.055 0.802 -35.648 1.00 0.00 C ATOM 0 H LEU A 46 16.355 -2.868 -34.233 1.00 0.00 H new ATOM 0 HA LEU A 46 15.082 -0.643 -35.485 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.106 -0.476 -34.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.975 -1.540 -35.196 1.00 0.00 H new ATOM 0 HG LEU A 46 17.532 0.151 -37.045 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.045 2.469 -36.358 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.687 1.376 -35.998 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.768 1.913 -34.690 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.361 1.661 -36.246 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.121 1.054 -34.590 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.712 -0.041 -35.861 1.00 0.00 H new ATOM 694 N GLN A 47 16.703 -2.803 -37.426 1.00 0.00 N ATOM 695 CA GLN A 47 16.849 -3.271 -38.797 1.00 0.00 C ATOM 696 C GLN A 47 15.533 -3.803 -39.350 1.00 0.00 C ATOM 697 O GLN A 47 15.340 -3.826 -40.565 1.00 0.00 O ATOM 698 CB GLN A 47 17.922 -4.361 -38.839 1.00 0.00 C ATOM 699 CG GLN A 47 19.318 -3.765 -38.647 1.00 0.00 C ATOM 700 CD GLN A 47 19.868 -3.147 -39.928 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.244 -3.204 -40.984 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.054 -2.549 -39.843 1.00 0.00 N ATOM 0 H GLN A 47 17.240 -3.342 -36.746 1.00 0.00 H new ATOM 0 HA GLN A 47 17.148 -2.430 -39.423 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.727 -5.098 -38.060 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.875 -4.886 -39.793 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.281 -3.005 -37.867 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.998 -4.544 -38.301 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.547 -2.519 -38.951 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.470 -2.121 -40.670 1.00 0.00 H new ATOM 711 N MET A 48 14.623 -4.231 -38.470 1.00 0.00 N ATOM 712 CA MET A 48 13.325 -4.725 -38.891 1.00 0.00 C ATOM 713 C MET A 48 12.375 -3.563 -39.198 1.00 0.00 C ATOM 714 O MET A 48 11.442 -3.717 -39.983 1.00 0.00 O ATOM 715 CB MET A 48 12.764 -5.623 -37.788 1.00 0.00 C ATOM 716 CG MET A 48 11.535 -6.394 -38.267 1.00 0.00 C ATOM 717 SD MET A 48 11.911 -7.637 -39.532 1.00 0.00 S ATOM 718 CE MET A 48 10.253 -8.323 -39.767 1.00 0.00 C ATOM 0 H MET A 48 14.770 -4.242 -37.461 1.00 0.00 H new ATOM 0 HA MET A 48 13.430 -5.304 -39.809 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.532 -6.325 -37.463 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.500 -5.016 -36.922 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.068 -6.885 -37.413 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.806 -5.689 -38.667 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.282 -9.087 -40.544 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.908 -8.768 -38.834 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.569 -7.528 -40.065 1.00 0.00 H new ATOM 728 N PHE A 49 12.615 -2.400 -38.577 1.00 0.00 N ATOM 729 CA PHE A 49 11.785 -1.214 -38.745 1.00 0.00 C ATOM 730 C PHE A 49 12.334 -0.061 -39.590 1.00 0.00 C ATOM 731 O PHE A 49 11.607 0.892 -39.877 1.00 0.00 O ATOM 732 CB PHE A 49 11.167 -0.772 -37.419 1.00 0.00 C ATOM 733 CG PHE A 49 10.003 -1.624 -36.956 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.223 -2.924 -36.480 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.696 -1.114 -37.002 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.144 -3.711 -36.058 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.613 -1.900 -36.587 1.00 0.00 C ATOM 738 CZ PHE A 49 7.835 -3.204 -36.115 1.00 0.00 C ATOM 0 H PHE A 49 13.399 -2.262 -37.940 1.00 0.00 H new ATOM 0 HA PHE A 49 10.987 -1.562 -39.402 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.939 -0.785 -36.650 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.830 0.260 -37.515 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.227 -3.320 -36.439 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.524 -0.109 -37.360 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.319 -4.710 -35.688 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.609 -1.504 -36.630 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.003 -3.815 -35.797 1.00 0.00 H new ATOM 748 N MET A 50 13.604 -0.128 -40.001 1.00 0.00 N ATOM 749 CA MET A 50 14.189 0.908 -40.844 1.00 0.00 C ATOM 750 C MET A 50 13.599 1.011 -42.262 1.00 0.00 C ATOM 751 O MET A 50 13.583 2.122 -42.795 1.00 0.00 O ATOM 752 CB MET A 50 15.709 0.730 -40.942 1.00 0.00 C ATOM 753 CG MET A 50 16.420 1.349 -39.739 1.00 0.00 C ATOM 754 SD MET A 50 18.201 1.603 -39.960 1.00 0.00 S ATOM 755 CE MET A 50 18.740 -0.119 -40.084 1.00 0.00 C ATOM 0 H MET A 50 14.241 -0.888 -39.762 1.00 0.00 H new ATOM 0 HA MET A 50 13.935 1.842 -40.343 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.950 -0.331 -41.003 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.073 1.192 -41.860 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.955 2.309 -39.514 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.263 0.708 -38.872 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.815 -0.152 -40.260 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.508 -0.641 -39.156 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.222 -0.604 -40.912 1.00 0.00 H new ATOM 765 N PRO A 51 13.112 -0.064 -42.911 1.00 0.00 N ATOM 766 CA PRO A 51 12.591 0.049 -44.266 1.00 0.00 C ATOM 767 C PRO A 51 11.241 0.762 -44.298 1.00 0.00 C ATOM 768 O PRO A 51 10.763 1.121 -45.374 1.00 0.00 O ATOM 769 CB PRO A 51 12.461 -1.388 -44.766 1.00 0.00 C ATOM 770 CG PRO A 51 12.167 -2.166 -43.486 1.00 0.00 C ATOM 771 CD PRO A 51 13.025 -1.444 -42.452 1.00 0.00 C ATOM 0 HA PRO A 51 13.252 0.645 -44.895 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.658 -1.491 -45.496 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.376 -1.733 -45.248 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.109 -2.135 -43.227 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.442 -3.217 -43.578 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.575 -1.500 -41.461 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.014 -1.896 -42.379 1.00 0.00 H new ATOM 779 N PHE A 52 10.625 0.973 -43.131 1.00 0.00 N ATOM 780 CA PHE A 52 9.336 1.642 -43.035 1.00 0.00 C ATOM 781 C PHE A 52 9.459 3.162 -43.060 1.00 0.00 C ATOM 782 O PHE A 52 8.487 3.857 -43.352 1.00 0.00 O ATOM 783 CB PHE A 52 8.629 1.163 -41.770 1.00 0.00 C ATOM 784 CG PHE A 52 8.363 -0.326 -41.753 1.00 0.00 C ATOM 785 CD1 PHE A 52 7.825 -0.965 -42.880 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.668 -1.071 -40.605 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.611 -2.352 -42.860 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.451 -2.455 -40.582 1.00 0.00 C ATOM 789 CZ PHE A 52 7.923 -3.095 -41.710 1.00 0.00 C ATOM 0 H PHE A 52 11.009 0.683 -42.232 1.00 0.00 H new ATOM 0 HA PHE A 52 8.745 1.380 -43.912 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.235 1.425 -40.903 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.682 1.694 -41.669 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.576 -0.391 -43.761 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.072 -0.576 -39.734 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.206 -2.848 -43.730 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.690 -3.026 -39.697 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.755 -4.162 -41.696 1.00 0.00 H new ATOM 799 N GLY A 53 10.651 3.683 -42.753 1.00 0.00 N ATOM 800 CA GLY A 53 10.916 5.113 -42.754 1.00 0.00 C ATOM 801 C GLY A 53 12.035 5.469 -41.783 1.00 0.00 C ATOM 802 O GLY A 53 12.739 4.590 -41.289 1.00 0.00 O ATOM 0 H GLY A 53 11.459 3.116 -42.496 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.188 5.434 -43.759 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.009 5.653 -42.481 1.00 0.00 H new ATOM 806 N ASN A 54 12.206 6.763 -41.507 1.00 0.00 N ATOM 807 CA ASN A 54 13.278 7.229 -40.649 1.00 0.00 C ATOM 808 C ASN A 54 12.927 6.998 -39.179 1.00 0.00 C ATOM 809 O ASN A 54 12.182 7.777 -38.581 1.00 0.00 O ATOM 810 CB ASN A 54 13.510 8.717 -40.923 1.00 0.00 C ATOM 811 CG ASN A 54 14.609 9.293 -40.037 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.468 8.571 -39.538 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.584 10.606 -39.840 1.00 0.00 N ATOM 0 H ASN A 54 11.608 7.505 -41.871 1.00 0.00 H new ATOM 0 HA ASN A 54 14.190 6.671 -40.862 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.778 8.856 -41.970 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.583 9.266 -40.755 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.295 11.048 -39.257 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.854 11.173 -40.272 1.00 0.00 H new ATOM 820 N VAL A 55 13.467 5.923 -38.605 1.00 0.00 N ATOM 821 CA VAL A 55 13.327 5.621 -37.186 1.00 0.00 C ATOM 822 C VAL A 55 14.476 6.357 -36.502 1.00 0.00 C ATOM 823 O VAL A 55 15.624 6.264 -36.928 1.00 0.00 O ATOM 824 CB VAL A 55 13.416 4.101 -36.973 1.00 0.00 C ATOM 825 CG1 VAL A 55 14.383 3.434 -37.948 1.00 0.00 C ATOM 826 CG2 VAL A 55 13.853 3.747 -35.555 1.00 0.00 C ATOM 0 H VAL A 55 14.017 5.234 -39.118 1.00 0.00 H new ATOM 0 HA VAL A 55 12.368 5.938 -36.777 1.00 0.00 H new ATOM 0 HB VAL A 55 12.408 3.727 -37.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.410 2.361 -37.757 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.049 3.612 -38.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 15.381 3.852 -37.814 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.902 2.663 -35.449 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.836 4.176 -35.359 1.00 0.00 H new ATOM 0 HG23 VAL A 55 13.133 4.149 -34.842 1.00 0.00 H new ATOM 836 N ILE A 56 14.165 7.101 -35.435 1.00 0.00 N ATOM 837 CA ILE A 56 15.158 7.882 -34.705 1.00 0.00 C ATOM 838 C ILE A 56 15.767 7.059 -33.570 1.00 0.00 C ATOM 839 O ILE A 56 16.910 7.288 -33.174 1.00 0.00 O ATOM 840 CB ILE A 56 14.504 9.153 -34.146 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.747 9.916 -35.242 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.574 10.058 -33.526 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.047 11.151 -34.669 1.00 0.00 C ATOM 0 H ILE A 56 13.220 7.176 -35.058 1.00 0.00 H new ATOM 0 HA ILE A 56 15.959 8.160 -35.391 1.00 0.00 H new ATOM 0 HB ILE A 56 13.786 8.858 -33.380 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.442 10.218 -36.025 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.011 9.259 -35.705 1.00 0.00 H new ATOM 0 HG21 ILE A 56 15.104 10.959 -33.131 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.077 9.526 -32.718 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.303 10.334 -34.288 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.519 11.673 -35.467 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.335 10.843 -33.903 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.788 11.818 -34.228 1.00 0.00 H new ATOM 855 N SER A 57 15.003 6.098 -33.045 1.00 0.00 N ATOM 856 CA SER A 57 15.436 5.275 -31.928 1.00 0.00 C ATOM 857 C SER A 57 14.688 3.948 -31.927 1.00 0.00 C ATOM 858 O SER A 57 13.547 3.867 -32.385 1.00 0.00 O ATOM 859 CB SER A 57 15.188 6.029 -30.620 1.00 0.00 C ATOM 860 OG SER A 57 15.645 5.282 -29.512 1.00 0.00 O ATOM 0 H SER A 57 14.068 5.874 -33.387 1.00 0.00 H new ATOM 0 HA SER A 57 16.501 5.065 -32.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.697 6.992 -30.649 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.123 6.235 -30.511 1.00 0.00 H new ATOM 0 HG SER A 57 16.333 5.791 -29.035 1.00 0.00 H new ATOM 866 N ALA A 58 15.338 2.906 -31.405 1.00 0.00 N ATOM 867 CA ALA A 58 14.786 1.566 -31.353 1.00 0.00 C ATOM 868 C ALA A 58 15.336 0.838 -30.127 1.00 0.00 C ATOM 869 O ALA A 58 16.478 1.071 -29.725 1.00 0.00 O ATOM 870 CB ALA A 58 15.125 0.845 -32.659 1.00 0.00 C ATOM 0 H ALA A 58 16.273 2.978 -31.004 1.00 0.00 H new ATOM 0 HA ALA A 58 13.701 1.593 -31.255 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.716 -0.165 -32.634 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.694 1.391 -33.498 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.207 0.795 -32.777 1.00 0.00 H new ATOM 876 N LYS A 59 14.528 -0.045 -29.529 1.00 0.00 N ATOM 877 CA LYS A 59 14.859 -0.681 -28.261 1.00 0.00 C ATOM 878 C LYS A 59 14.101 -1.991 -28.080 1.00 0.00 C ATOM 879 O LYS A 59 12.916 -2.068 -28.390 1.00 0.00 O ATOM 880 CB LYS A 59 14.477 0.307 -27.147 1.00 0.00 C ATOM 881 CG LYS A 59 14.542 -0.256 -25.726 1.00 0.00 C ATOM 882 CD LYS A 59 15.947 -0.686 -25.302 1.00 0.00 C ATOM 883 CE LYS A 59 16.965 0.440 -25.501 1.00 0.00 C ATOM 884 NZ LYS A 59 18.306 0.024 -25.054 1.00 0.00 N ATOM 0 H LYS A 59 13.629 -0.334 -29.914 1.00 0.00 H new ATOM 0 HA LYS A 59 15.922 -0.921 -28.231 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.137 1.172 -27.208 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.464 0.665 -27.333 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.176 0.497 -25.029 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.871 -1.112 -25.652 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.936 -0.986 -24.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.251 -1.559 -25.880 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.000 0.722 -26.553 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.650 1.323 -24.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.929 0.855 -25.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.238 -0.412 -24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.698 -0.665 -25.727 1.00 0.00 H new ATOM 898 N VAL A 60 14.786 -3.019 -27.578 1.00 0.00 N ATOM 899 CA VAL A 60 14.153 -4.254 -27.138 1.00 0.00 C ATOM 900 C VAL A 60 14.325 -4.286 -25.624 1.00 0.00 C ATOM 901 O VAL A 60 15.399 -3.980 -25.109 1.00 0.00 O ATOM 902 CB VAL A 60 14.815 -5.459 -27.806 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.457 -6.762 -27.091 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.321 -5.548 -29.249 1.00 0.00 C ATOM 0 H VAL A 60 15.800 -3.014 -27.466 1.00 0.00 H new ATOM 0 HA VAL A 60 13.099 -4.296 -27.411 1.00 0.00 H new ATOM 0 HB VAL A 60 15.896 -5.326 -27.763 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.945 -7.598 -27.592 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.794 -6.713 -26.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.377 -6.905 -27.115 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.785 -6.404 -29.740 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.238 -5.669 -29.256 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.588 -4.635 -29.782 1.00 0.00 H new ATOM 914 N PHE A 61 13.267 -4.655 -24.901 1.00 0.00 N ATOM 915 CA PHE A 61 13.279 -4.590 -23.453 1.00 0.00 C ATOM 916 C PHE A 61 14.007 -5.727 -22.737 1.00 0.00 C ATOM 917 O PHE A 61 14.012 -6.858 -23.218 1.00 0.00 O ATOM 918 CB PHE A 61 11.884 -4.309 -22.916 1.00 0.00 C ATOM 919 CG PHE A 61 11.446 -2.889 -23.193 1.00 0.00 C ATOM 920 CD1 PHE A 61 12.158 -1.821 -22.639 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.339 -2.634 -24.013 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.763 -0.504 -22.895 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.939 -1.313 -24.268 1.00 0.00 C ATOM 924 CZ PHE A 61 10.652 -0.247 -23.710 1.00 0.00 C ATOM 0 H PHE A 61 12.395 -5.001 -25.301 1.00 0.00 H new ATOM 0 HA PHE A 61 13.912 -3.739 -23.203 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.175 -5.002 -23.369 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.866 -4.491 -21.841 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.016 -2.014 -22.011 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.792 -3.456 -24.450 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.316 0.317 -22.463 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.081 -1.120 -24.895 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.348 0.770 -23.906 1.00 0.00 H new ATOM 934 N ILE A 62 14.618 -5.423 -21.587 1.00 0.00 N ATOM 935 CA ILE A 62 15.414 -6.382 -20.832 1.00 0.00 C ATOM 936 C ILE A 62 15.027 -6.346 -19.356 1.00 0.00 C ATOM 937 O ILE A 62 14.704 -5.282 -18.822 1.00 0.00 O ATOM 938 CB ILE A 62 16.906 -6.052 -20.989 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.377 -6.026 -22.450 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.736 -7.057 -20.185 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.304 -7.387 -23.136 1.00 0.00 C ATOM 0 H ILE A 62 14.571 -4.500 -21.156 1.00 0.00 H new ATOM 0 HA ILE A 62 15.223 -7.383 -21.219 1.00 0.00 H new ATOM 0 HB ILE A 62 17.051 -5.042 -20.605 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.768 -5.314 -23.007 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.405 -5.664 -22.486 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.795 -6.825 -20.295 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.459 -6.998 -19.132 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.545 -8.065 -20.555 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.652 -7.295 -24.165 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.935 -8.098 -22.602 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.273 -7.742 -23.132 1.00 0.00 H new ATOM 953 N ASP A 63 15.058 -7.501 -18.687 1.00 0.00 N ATOM 954 CA ASP A 63 14.775 -7.583 -17.262 1.00 0.00 C ATOM 955 C ASP A 63 16.075 -7.415 -16.477 1.00 0.00 C ATOM 956 O ASP A 63 17.083 -8.042 -16.800 1.00 0.00 O ATOM 957 CB ASP A 63 14.122 -8.931 -16.966 1.00 0.00 C ATOM 958 CG ASP A 63 13.682 -9.087 -15.513 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.868 -8.125 -14.731 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.162 -10.175 -15.187 1.00 0.00 O ATOM 0 H ASP A 63 15.279 -8.398 -19.120 1.00 0.00 H new ATOM 0 HA ASP A 63 14.091 -6.789 -16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.256 -9.057 -17.615 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.824 -9.728 -17.213 1.00 0.00 H new ATOM 965 N LYS A 64 16.063 -6.573 -15.443 1.00 0.00 N ATOM 966 CA LYS A 64 17.241 -6.306 -14.630 1.00 0.00 C ATOM 967 C LYS A 64 17.526 -7.445 -13.648 1.00 0.00 C ATOM 968 O LYS A 64 18.604 -7.485 -13.059 1.00 0.00 O ATOM 969 CB LYS A 64 17.022 -4.983 -13.893 1.00 0.00 C ATOM 970 CG LYS A 64 15.845 -5.085 -12.919 1.00 0.00 C ATOM 971 CD LYS A 64 15.357 -3.697 -12.515 1.00 0.00 C ATOM 972 CE LYS A 64 14.695 -3.007 -13.712 1.00 0.00 C ATOM 973 NZ LYS A 64 14.155 -1.685 -13.335 1.00 0.00 N ATOM 0 H LYS A 64 15.233 -6.058 -15.149 1.00 0.00 H new ATOM 0 HA LYS A 64 18.116 -6.234 -15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.927 -4.712 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.834 -4.188 -14.614 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.030 -5.642 -13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.148 -5.642 -12.032 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.647 -3.777 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.194 -3.098 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.422 -2.890 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.892 -3.634 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.713 -1.241 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.444 -1.801 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.927 -1.080 -12.989 1.00 0.00 H new ATOM 987 N GLN A 65 16.572 -8.363 -13.473 1.00 0.00 N ATOM 988 CA GLN A 65 16.703 -9.474 -12.540 1.00 0.00 C ATOM 989 C GLN A 65 17.352 -10.702 -13.179 1.00 0.00 C ATOM 990 O GLN A 65 17.925 -11.535 -12.476 1.00 0.00 O ATOM 991 CB GLN A 65 15.310 -9.877 -12.058 1.00 0.00 C ATOM 992 CG GLN A 65 14.621 -8.770 -11.254 1.00 0.00 C ATOM 993 CD GLN A 65 15.333 -8.490 -9.938 1.00 0.00 C ATOM 994 OE1 GLN A 65 16.327 -7.607 -9.959 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 15.006 -9.070 -8.907 1.00 0.00 N flip ATOM 0 H GLN A 65 15.686 -8.352 -13.978 1.00 0.00 H new ATOM 0 HA GLN A 65 17.339 -9.139 -11.721 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.692 -10.134 -12.918 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.388 -10.773 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.588 -7.857 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.589 -9.057 -11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.239 -9.742 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.501 -8.880 -8.036 1.00 0.00 H new ATOM 1004 N THR A 66 17.261 -10.817 -14.506 1.00 0.00 N ATOM 1005 CA THR A 66 17.733 -11.984 -15.242 1.00 0.00 C ATOM 1006 C THR A 66 18.527 -11.666 -16.497 1.00 0.00 C ATOM 1007 O THR A 66 19.183 -12.538 -17.064 1.00 0.00 O ATOM 1008 CB THR A 66 16.590 -12.964 -15.528 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.013 -12.631 -16.768 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.493 -12.913 -14.472 1.00 0.00 C ATOM 0 H THR A 66 16.854 -10.095 -15.101 1.00 0.00 H new ATOM 0 HA THR A 66 18.448 -12.468 -14.577 1.00 0.00 H new ATOM 0 HB THR A 66 17.014 -13.968 -15.527 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.280 -13.251 -16.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.710 -13.628 -14.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.913 -13.166 -13.498 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.070 -11.909 -14.435 1.00 0.00 H new ATOM 1018 N ASN A 67 18.460 -10.402 -16.924 1.00 0.00 N ATOM 1019 CA ASN A 67 19.131 -9.897 -18.117 1.00 0.00 C ATOM 1020 C ASN A 67 18.608 -10.562 -19.396 1.00 0.00 C ATOM 1021 O ASN A 67 19.170 -10.364 -20.470 1.00 0.00 O ATOM 1022 CB ASN A 67 20.651 -10.015 -17.950 1.00 0.00 C ATOM 1023 CG ASN A 67 21.408 -9.218 -19.006 1.00 0.00 C ATOM 1024 OD1 ASN A 67 21.006 -8.119 -19.374 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.512 -9.771 -19.499 1.00 0.00 N ATOM 0 H ASN A 67 17.923 -9.686 -16.435 1.00 0.00 H new ATOM 0 HA ASN A 67 18.896 -8.839 -18.231 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.935 -9.663 -16.958 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.942 -11.064 -18.011 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.056 -9.279 -20.208 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.815 -10.687 -19.168 1.00 0.00 H new ATOM 1032 N LEU A 68 17.532 -11.353 -19.290 1.00 0.00 N ATOM 1033 CA LEU A 68 16.888 -11.969 -20.439 1.00 0.00 C ATOM 1034 C LEU A 68 15.943 -10.974 -21.104 1.00 0.00 C ATOM 1035 O LEU A 68 15.543 -9.981 -20.494 1.00 0.00 O ATOM 1036 CB LEU A 68 16.132 -13.231 -20.007 1.00 0.00 C ATOM 1037 CG LEU A 68 17.057 -14.277 -19.376 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.230 -15.482 -18.940 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.118 -14.749 -20.368 1.00 0.00 C ATOM 0 H LEU A 68 17.089 -11.579 -18.400 1.00 0.00 H new ATOM 0 HA LEU A 68 17.650 -12.257 -21.163 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.354 -12.959 -19.293 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.632 -13.666 -20.872 1.00 0.00 H new ATOM 0 HG LEU A 68 17.554 -13.818 -18.521 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.884 -16.229 -18.490 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.484 -15.167 -18.210 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.730 -15.913 -19.807 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.758 -15.490 -19.890 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.632 -15.194 -21.236 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.722 -13.899 -20.687 1.00 0.00 H new ATOM 1051 N SER A 69 15.583 -11.239 -22.363 1.00 0.00 N ATOM 1052 CA SER A 69 14.689 -10.364 -23.113 1.00 0.00 C ATOM 1053 C SER A 69 13.267 -10.441 -22.572 1.00 0.00 C ATOM 1054 O SER A 69 12.791 -11.514 -22.205 1.00 0.00 O ATOM 1055 CB SER A 69 14.722 -10.745 -24.592 1.00 0.00 C ATOM 1056 OG SER A 69 13.778 -9.972 -25.302 1.00 0.00 O ATOM 0 H SER A 69 15.901 -12.057 -22.883 1.00 0.00 H new ATOM 0 HA SER A 69 15.031 -9.335 -23.000 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.720 -10.581 -24.998 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.500 -11.806 -24.710 1.00 0.00 H new ATOM 0 HG SER A 69 13.802 -10.217 -26.251 1.00 0.00 H new ATOM 1062 N LYS A 70 12.583 -9.294 -22.520 1.00 0.00 N ATOM 1063 CA LYS A 70 11.187 -9.233 -22.112 1.00 0.00 C ATOM 1064 C LYS A 70 10.239 -9.568 -23.267 1.00 0.00 C ATOM 1065 O LYS A 70 9.024 -9.453 -23.120 1.00 0.00 O ATOM 1066 CB LYS A 70 10.857 -7.868 -21.507 1.00 0.00 C ATOM 1067 CG LYS A 70 11.627 -7.640 -20.205 1.00 0.00 C ATOM 1068 CD LYS A 70 10.945 -6.516 -19.429 1.00 0.00 C ATOM 1069 CE LYS A 70 11.584 -6.358 -18.052 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.883 -5.327 -17.265 1.00 0.00 N ATOM 0 H LYS A 70 12.985 -8.388 -22.760 1.00 0.00 H new ATOM 0 HA LYS A 70 11.038 -9.992 -21.344 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.103 -7.082 -22.221 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.786 -7.801 -21.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.645 -8.554 -19.611 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.663 -7.378 -20.419 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.025 -5.581 -19.984 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.882 -6.732 -19.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.555 -7.310 -17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.634 -6.087 -18.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.232 -5.341 -16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.061 -4.391 -17.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.861 -5.520 -17.271 1.00 0.00 H new ATOM 1084 N CYS A 71 10.791 -9.980 -24.412 1.00 0.00 N ATOM 1085 CA CYS A 71 10.015 -10.386 -25.574 1.00 0.00 C ATOM 1086 C CYS A 71 9.123 -9.282 -26.158 1.00 0.00 C ATOM 1087 O CYS A 71 8.145 -9.578 -26.840 1.00 0.00 O ATOM 1088 CB CYS A 71 9.252 -11.677 -25.267 1.00 0.00 C ATOM 1089 SG CYS A 71 10.448 -13.016 -25.007 1.00 0.00 S ATOM 0 H CYS A 71 11.799 -10.039 -24.554 1.00 0.00 H new ATOM 0 HA CYS A 71 10.724 -10.587 -26.377 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.632 -11.547 -24.380 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.582 -11.924 -26.090 1.00 0.00 H new ATOM 0 HG CYS A 71 9.813 -14.119 -24.743 1.00 0.00 H new ATOM 1095 N PHE A 72 9.445 -8.005 -25.901 1.00 0.00 N ATOM 1096 CA PHE A 72 8.695 -6.900 -26.484 1.00 0.00 C ATOM 1097 C PHE A 72 9.679 -5.725 -26.515 1.00 0.00 C ATOM 1098 O PHE A 72 10.757 -5.787 -25.922 1.00 0.00 O ATOM 1099 CB PHE A 72 7.488 -6.606 -25.586 1.00 0.00 C ATOM 1100 CG PHE A 72 7.694 -5.620 -24.460 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.152 -4.331 -24.574 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.393 -5.984 -23.302 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.296 -3.413 -23.525 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.539 -5.065 -22.255 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.990 -3.779 -22.365 1.00 0.00 C ATOM 0 H PHE A 72 10.216 -7.721 -25.296 1.00 0.00 H new ATOM 0 HA PHE A 72 8.313 -7.107 -27.484 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.679 -6.236 -26.216 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.150 -7.548 -25.154 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.623 -4.046 -25.471 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.819 -6.973 -23.216 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.872 -2.424 -23.611 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.075 -5.347 -21.361 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.102 -3.072 -21.556 1.00 0.00 H new ATOM 1115 N GLY A 73 9.309 -4.647 -27.211 1.00 0.00 N ATOM 1116 CA GLY A 73 10.201 -3.518 -27.416 1.00 0.00 C ATOM 1117 C GLY A 73 9.469 -2.238 -27.817 1.00 0.00 C ATOM 1118 O GLY A 73 8.239 -2.169 -27.809 1.00 0.00 O ATOM 0 H GLY A 73 8.391 -4.538 -27.642 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.763 -3.336 -26.500 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.926 -3.772 -28.189 1.00 0.00 H new ATOM 1122 N PHE A 74 10.264 -1.226 -28.170 1.00 0.00 N ATOM 1123 CA PHE A 74 9.829 0.117 -28.512 1.00 0.00 C ATOM 1124 C PHE A 74 10.623 0.779 -29.643 1.00 0.00 C ATOM 1125 O PHE A 74 11.834 0.591 -29.729 1.00 0.00 O ATOM 1126 CB PHE A 74 9.695 0.971 -27.243 1.00 0.00 C ATOM 1127 CG PHE A 74 9.885 2.455 -27.460 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.038 3.081 -26.966 1.00 0.00 C ATOM 1129 CD2 PHE A 74 8.926 3.199 -28.162 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.264 4.437 -27.238 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.144 4.558 -28.421 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.317 5.174 -27.961 1.00 0.00 C ATOM 0 H PHE A 74 11.277 -1.333 -28.226 1.00 0.00 H new ATOM 0 HA PHE A 74 8.836 0.030 -28.952 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.708 0.804 -26.811 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.426 0.628 -26.511 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.749 2.520 -26.378 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.018 2.724 -28.503 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.168 4.914 -26.890 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.412 5.129 -28.973 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.491 6.220 -28.165 1.00 0.00 H new ATOM 1142 N VAL A 75 9.950 1.553 -30.502 1.00 0.00 N ATOM 1143 CA VAL A 75 10.566 2.202 -31.661 1.00 0.00 C ATOM 1144 C VAL A 75 9.892 3.557 -31.908 1.00 0.00 C ATOM 1145 O VAL A 75 8.734 3.737 -31.545 1.00 0.00 O ATOM 1146 CB VAL A 75 10.452 1.286 -32.889 1.00 0.00 C ATOM 1147 CG1 VAL A 75 11.089 1.927 -34.124 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.133 -0.070 -32.669 1.00 0.00 C ATOM 0 H VAL A 75 8.953 1.747 -30.410 1.00 0.00 H new ATOM 0 HA VAL A 75 11.624 2.379 -31.470 1.00 0.00 H new ATOM 0 HB VAL A 75 9.384 1.137 -33.044 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.991 1.253 -34.975 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.585 2.868 -34.346 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.145 2.117 -33.931 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.025 -0.681 -33.565 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.192 0.084 -32.460 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.667 -0.578 -31.825 1.00 0.00 H new ATOM 1158 N SER A 76 10.600 4.513 -32.521 1.00 0.00 N ATOM 1159 CA SER A 76 10.038 5.835 -32.793 1.00 0.00 C ATOM 1160 C SER A 76 10.505 6.400 -34.131 1.00 0.00 C ATOM 1161 O SER A 76 11.641 6.175 -34.544 1.00 0.00 O ATOM 1162 CB SER A 76 10.376 6.791 -31.650 1.00 0.00 C ATOM 1163 OG SER A 76 9.918 8.092 -31.952 1.00 0.00 O ATOM 0 H SER A 76 11.562 4.393 -32.837 1.00 0.00 H new ATOM 0 HA SER A 76 8.956 5.726 -32.861 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.917 6.441 -30.726 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.453 6.806 -31.485 1.00 0.00 H new ATOM 0 HG SER A 76 9.074 8.035 -32.446 1.00 0.00 H new ATOM 1169 N TYR A 77 9.613 7.139 -34.801 1.00 0.00 N ATOM 1170 CA TYR A 77 9.836 7.733 -36.112 1.00 0.00 C ATOM 1171 C TYR A 77 9.982 9.251 -36.137 1.00 0.00 C ATOM 1172 O TYR A 77 9.624 9.924 -35.176 1.00 0.00 O ATOM 1173 CB TYR A 77 8.756 7.266 -37.087 1.00 0.00 C ATOM 1174 CG TYR A 77 8.916 5.822 -37.489 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.686 5.488 -38.613 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.293 4.820 -36.731 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.850 4.147 -38.975 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.448 3.475 -37.093 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.228 3.136 -38.213 1.00 0.00 C ATOM 1180 OH TYR A 77 9.375 1.830 -38.554 1.00 0.00 O ATOM 0 H TYR A 77 8.686 7.343 -34.427 1.00 0.00 H new ATOM 0 HA TYR A 77 10.815 7.372 -36.427 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.776 7.405 -36.630 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.783 7.892 -37.979 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.152 6.266 -39.199 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.696 5.084 -35.871 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.450 3.887 -39.834 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.969 2.700 -36.513 1.00 0.00 H new ATOM 0 HH TYR A 77 10.231 1.707 -39.016 1.00 0.00 H new ATOM 1190 N ASP A 78 10.505 9.792 -37.241 1.00 0.00 N ATOM 1191 CA ASP A 78 10.598 11.235 -37.432 1.00 0.00 C ATOM 1192 C ASP A 78 9.258 11.854 -37.846 1.00 0.00 C ATOM 1193 O ASP A 78 9.082 13.071 -37.813 1.00 0.00 O ATOM 1194 CB ASP A 78 11.725 11.515 -38.428 1.00 0.00 C ATOM 1195 CG ASP A 78 11.885 12.990 -38.797 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.147 13.258 -39.989 1.00 0.00 O ATOM 1197 OD2 ASP A 78 11.747 13.843 -37.890 1.00 0.00 O ATOM 0 H ASP A 78 10.872 9.244 -38.019 1.00 0.00 H new ATOM 0 HA ASP A 78 10.839 11.718 -36.485 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.664 11.154 -38.008 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.541 10.943 -39.337 1.00 0.00 H new ATOM 1202 N ASN A 79 8.299 11.009 -38.235 1.00 0.00 N ATOM 1203 CA ASN A 79 6.959 11.439 -38.606 1.00 0.00 C ATOM 1204 C ASN A 79 5.945 10.315 -38.409 1.00 0.00 C ATOM 1205 O ASN A 79 6.290 9.143 -38.570 1.00 0.00 O ATOM 1206 CB ASN A 79 6.935 11.976 -40.044 1.00 0.00 C ATOM 1207 CG ASN A 79 7.760 11.159 -41.036 1.00 0.00 C ATOM 1208 OD1 ASN A 79 8.320 11.715 -41.976 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.849 9.845 -40.849 1.00 0.00 N ATOM 0 H ASN A 79 8.438 10.001 -38.300 1.00 0.00 H new ATOM 0 HA ASN A 79 6.671 12.256 -37.944 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.902 12.009 -40.390 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.303 13.002 -40.042 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.393 9.274 -41.495 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.373 9.409 -40.059 1.00 0.00 H new ATOM 1216 N PRO A 80 4.694 10.648 -38.067 1.00 0.00 N ATOM 1217 CA PRO A 80 3.657 9.674 -37.777 1.00 0.00 C ATOM 1218 C PRO A 80 3.197 8.936 -39.031 1.00 0.00 C ATOM 1219 O PRO A 80 2.598 7.869 -38.923 1.00 0.00 O ATOM 1220 CB PRO A 80 2.512 10.490 -37.173 1.00 0.00 C ATOM 1221 CG PRO A 80 2.675 11.858 -37.831 1.00 0.00 C ATOM 1222 CD PRO A 80 4.191 12.002 -37.924 1.00 0.00 C ATOM 0 HA PRO A 80 4.018 8.898 -37.102 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.541 10.048 -37.397 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.591 10.553 -36.088 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.203 11.895 -38.813 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.228 12.652 -37.233 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.476 12.620 -38.775 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.596 12.481 -37.033 1.00 0.00 H new ATOM 1230 N VAL A 81 3.468 9.480 -40.224 1.00 0.00 N ATOM 1231 CA VAL A 81 3.066 8.834 -41.466 1.00 0.00 C ATOM 1232 C VAL A 81 3.763 7.492 -41.624 1.00 0.00 C ATOM 1233 O VAL A 81 3.148 6.502 -42.014 1.00 0.00 O ATOM 1234 CB VAL A 81 3.395 9.747 -42.655 1.00 0.00 C ATOM 1235 CG1 VAL A 81 2.879 9.146 -43.962 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.782 11.130 -42.449 1.00 0.00 C ATOM 0 H VAL A 81 3.963 10.363 -40.349 1.00 0.00 H new ATOM 0 HA VAL A 81 1.991 8.657 -41.437 1.00 0.00 H new ATOM 0 HB VAL A 81 4.479 9.841 -42.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.124 9.811 -44.790 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.347 8.175 -44.126 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.798 9.023 -43.904 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.024 11.766 -43.301 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.699 11.039 -42.361 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.184 11.574 -41.539 1.00 0.00 H new ATOM 1246 N SER A 82 5.064 7.462 -41.311 1.00 0.00 N ATOM 1247 CA SER A 82 5.846 6.237 -41.353 1.00 0.00 C ATOM 1248 C SER A 82 5.443 5.294 -40.224 1.00 0.00 C ATOM 1249 O SER A 82 5.487 4.075 -40.387 1.00 0.00 O ATOM 1250 CB SER A 82 7.325 6.591 -41.218 1.00 0.00 C ATOM 1251 OG SER A 82 8.090 5.411 -41.152 1.00 0.00 O ATOM 0 H SER A 82 5.594 8.285 -41.024 1.00 0.00 H new ATOM 0 HA SER A 82 5.662 5.732 -42.301 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.643 7.196 -42.067 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.485 7.191 -40.322 1.00 0.00 H new ATOM 0 HG SER A 82 8.521 5.350 -40.274 1.00 0.00 H new ATOM 1257 N ALA A 83 5.048 5.854 -39.078 1.00 0.00 N ATOM 1258 CA ALA A 83 4.685 5.049 -37.930 1.00 0.00 C ATOM 1259 C ALA A 83 3.408 4.267 -38.215 1.00 0.00 C ATOM 1260 O ALA A 83 3.342 3.074 -37.933 1.00 0.00 O ATOM 1261 CB ALA A 83 4.508 5.959 -36.715 1.00 0.00 C ATOM 0 H ALA A 83 4.974 6.860 -38.929 1.00 0.00 H new ATOM 0 HA ALA A 83 5.477 4.330 -37.722 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.235 5.358 -35.847 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.442 6.483 -36.514 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.721 6.685 -36.916 1.00 0.00 H new ATOM 1267 N GLN A 84 2.384 4.918 -38.776 1.00 0.00 N ATOM 1268 CA GLN A 84 1.122 4.246 -39.051 1.00 0.00 C ATOM 1269 C GLN A 84 1.289 3.197 -40.153 1.00 0.00 C ATOM 1270 O GLN A 84 0.557 2.209 -40.177 1.00 0.00 O ATOM 1271 CB GLN A 84 0.056 5.278 -39.434 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.219 6.242 -38.278 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.656 5.526 -37.007 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.381 4.536 -37.054 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.216 6.023 -35.856 1.00 0.00 N ATOM 0 H GLN A 84 2.409 5.902 -39.045 1.00 0.00 H new ATOM 0 HA GLN A 84 0.798 3.727 -38.149 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.386 5.839 -40.308 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.866 4.767 -39.712 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.681 6.822 -38.072 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.993 6.949 -38.576 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.385 6.847 -35.853 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.479 5.580 -34.976 1.00 0.00 H new ATOM 1284 N ALA A 85 2.246 3.394 -41.062 1.00 0.00 N ATOM 1285 CA ALA A 85 2.530 2.401 -42.083 1.00 0.00 C ATOM 1286 C ALA A 85 3.173 1.174 -41.450 1.00 0.00 C ATOM 1287 O ALA A 85 2.820 0.044 -41.786 1.00 0.00 O ATOM 1288 CB ALA A 85 3.476 2.996 -43.124 1.00 0.00 C ATOM 0 H ALA A 85 2.831 4.229 -41.107 1.00 0.00 H new ATOM 0 HA ALA A 85 1.598 2.106 -42.565 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.689 2.251 -43.890 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.009 3.867 -43.585 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.406 3.296 -42.641 1.00 0.00 H new ATOM 1294 N ALA A 86 4.116 1.389 -40.530 1.00 0.00 N ATOM 1295 CA ALA A 86 4.814 0.305 -39.866 1.00 0.00 C ATOM 1296 C ALA A 86 3.885 -0.517 -38.967 1.00 0.00 C ATOM 1297 O ALA A 86 4.149 -1.699 -38.742 1.00 0.00 O ATOM 1298 CB ALA A 86 5.970 0.890 -39.062 1.00 0.00 C ATOM 0 H ALA A 86 4.411 2.319 -40.231 1.00 0.00 H new ATOM 0 HA ALA A 86 5.194 -0.381 -40.623 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.505 0.086 -38.556 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.651 1.414 -39.733 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.581 1.589 -38.321 1.00 0.00 H new ATOM 1304 N ILE A 87 2.798 0.070 -38.449 1.00 0.00 N ATOM 1305 CA ILE A 87 1.833 -0.705 -37.672 1.00 0.00 C ATOM 1306 C ILE A 87 1.135 -1.685 -38.603 1.00 0.00 C ATOM 1307 O ILE A 87 1.076 -2.878 -38.321 1.00 0.00 O ATOM 1308 CB ILE A 87 0.794 0.202 -36.998 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.469 1.097 -35.951 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.281 -0.660 -36.328 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.460 1.917 -35.144 1.00 0.00 C ATOM 0 H ILE A 87 2.571 1.059 -38.553 1.00 0.00 H new ATOM 0 HA ILE A 87 2.365 -1.238 -36.884 1.00 0.00 H new ATOM 0 HB ILE A 87 0.332 0.836 -37.755 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.055 0.478 -35.272 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.165 1.772 -36.449 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.018 -0.015 -35.850 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.772 -1.278 -37.079 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.182 -1.301 -35.578 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.990 2.533 -34.417 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.109 2.558 -35.817 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.221 1.245 -34.622 1.00 0.00 H new ATOM 1323 N GLN A 88 0.605 -1.183 -39.718 1.00 0.00 N ATOM 1324 CA GLN A 88 -0.099 -2.018 -40.680 1.00 0.00 C ATOM 1325 C GLN A 88 0.855 -2.987 -41.376 1.00 0.00 C ATOM 1326 O GLN A 88 0.410 -3.905 -42.066 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.804 -1.124 -41.702 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.840 -0.223 -41.021 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.496 0.738 -42.007 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.191 0.738 -43.197 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.408 1.574 -41.516 1.00 0.00 N ATOM 0 H GLN A 88 0.652 -0.197 -39.975 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.840 -2.617 -40.151 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.069 -0.510 -42.222 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.293 -1.742 -42.455 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.606 -0.841 -40.553 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.359 0.346 -40.225 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.640 1.550 -40.523 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.875 2.239 -42.133 1.00 0.00 H new ATOM 1340 N ALA A 89 2.167 -2.790 -41.201 1.00 0.00 N ATOM 1341 CA ALA A 89 3.173 -3.626 -41.825 1.00 0.00 C ATOM 1342 C ALA A 89 3.578 -4.814 -40.950 1.00 0.00 C ATOM 1343 O ALA A 89 3.926 -5.866 -41.486 1.00 0.00 O ATOM 1344 CB ALA A 89 4.397 -2.761 -42.114 1.00 0.00 C ATOM 0 H ALA A 89 2.551 -2.044 -40.621 1.00 0.00 H new ATOM 0 HA ALA A 89 2.753 -4.040 -42.742 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.169 -3.369 -42.585 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.118 -1.947 -42.783 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.779 -2.348 -41.181 1.00 0.00 H new ATOM 1350 N MET A 90 3.541 -4.664 -39.617 1.00 0.00 N ATOM 1351 CA MET A 90 3.974 -5.737 -38.727 1.00 0.00 C ATOM 1352 C MET A 90 2.951 -6.166 -37.680 1.00 0.00 C ATOM 1353 O MET A 90 3.138 -7.204 -37.043 1.00 0.00 O ATOM 1354 CB MET A 90 5.317 -5.391 -38.091 1.00 0.00 C ATOM 1355 CG MET A 90 6.419 -5.522 -39.144 1.00 0.00 C ATOM 1356 SD MET A 90 8.091 -5.642 -38.469 1.00 0.00 S ATOM 1357 CE MET A 90 7.927 -7.184 -37.529 1.00 0.00 C ATOM 0 H MET A 90 3.219 -3.820 -39.143 1.00 0.00 H new ATOM 0 HA MET A 90 4.086 -6.615 -39.363 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.295 -4.376 -37.695 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.518 -6.057 -37.252 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.221 -6.406 -39.750 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.371 -4.661 -39.811 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.908 -7.500 -37.174 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.267 -7.022 -36.676 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.507 -7.958 -38.171 1.00 0.00 H new ATOM 1367 N ASN A 91 1.876 -5.406 -37.480 1.00 0.00 N ATOM 1368 CA ASN A 91 0.811 -5.854 -36.603 1.00 0.00 C ATOM 1369 C ASN A 91 0.226 -7.141 -37.191 1.00 0.00 C ATOM 1370 O ASN A 91 -0.177 -7.169 -38.353 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.256 -4.761 -36.482 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.278 -5.081 -35.403 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.065 -5.956 -34.565 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.398 -4.370 -35.417 1.00 0.00 N ATOM 0 H ASN A 91 1.726 -4.493 -37.908 1.00 0.00 H new ATOM 0 HA ASN A 91 1.190 -6.054 -35.601 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.224 -3.809 -36.256 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.764 -4.642 -37.439 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.119 -4.541 -34.716 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.538 -3.653 -36.129 1.00 0.00 H new ATOM 1381 N GLY A 92 0.179 -8.205 -36.387 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.312 -9.499 -36.825 1.00 0.00 C ATOM 1383 C GLY A 92 0.731 -10.302 -37.602 1.00 0.00 C ATOM 1384 O GLY A 92 0.401 -11.361 -38.131 1.00 0.00 O ATOM 0 H GLY A 92 0.482 -8.186 -35.413 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.631 -10.074 -35.955 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.192 -9.354 -37.452 1.00 0.00 H new ATOM 1388 N PHE A 93 1.979 -9.825 -37.684 1.00 0.00 N ATOM 1389 CA PHE A 93 3.032 -10.540 -38.394 1.00 0.00 C ATOM 1390 C PHE A 93 3.329 -11.889 -37.743 1.00 0.00 C ATOM 1391 O PHE A 93 3.698 -11.933 -36.570 1.00 0.00 O ATOM 1392 CB PHE A 93 4.294 -9.677 -38.495 1.00 0.00 C ATOM 1393 CG PHE A 93 5.486 -10.365 -39.119 1.00 0.00 C ATOM 1394 CD1 PHE A 93 5.718 -10.230 -40.495 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.367 -11.132 -38.337 1.00 0.00 C ATOM 1396 CE1 PHE A 93 6.826 -10.852 -41.091 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.475 -11.750 -38.933 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.704 -11.612 -40.307 1.00 0.00 C ATOM 0 H PHE A 93 2.279 -8.945 -37.265 1.00 0.00 H new ATOM 0 HA PHE A 93 2.679 -10.743 -39.405 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.061 -8.785 -39.077 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.569 -9.342 -37.495 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.041 -9.645 -41.099 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.190 -11.245 -37.278 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.001 -10.745 -42.151 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.154 -12.335 -38.330 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.558 -12.091 -40.763 1.00 0.00 H new ATOM 1408 N GLN A 94 3.170 -12.988 -38.481 1.00 0.00 N ATOM 1409 CA GLN A 94 3.390 -14.307 -37.904 1.00 0.00 C ATOM 1410 C GLN A 94 4.879 -14.605 -37.766 1.00 0.00 C ATOM 1411 O GLN A 94 5.642 -14.452 -38.721 1.00 0.00 O ATOM 1412 CB GLN A 94 2.687 -15.386 -38.733 1.00 0.00 C ATOM 1413 CG GLN A 94 2.942 -16.762 -38.109 1.00 0.00 C ATOM 1414 CD GLN A 94 2.130 -17.869 -38.769 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.382 -17.634 -39.717 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.275 -19.092 -38.269 1.00 0.00 N ATOM 0 H GLN A 94 2.894 -12.989 -39.463 1.00 0.00 H new ATOM 0 HA GLN A 94 2.957 -14.314 -36.904 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.616 -15.187 -38.774 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.054 -15.367 -39.759 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.003 -17.000 -38.187 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.701 -16.725 -37.047 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.904 -19.250 -37.482 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.757 -19.873 -38.672 1.00 0.00 H new ATOM 1425 N ILE A 95 5.288 -15.035 -36.571 1.00 0.00 N ATOM 1426 CA ILE A 95 6.654 -15.445 -36.294 1.00 0.00 C ATOM 1427 C ILE A 95 6.593 -16.599 -35.296 1.00 0.00 C ATOM 1428 O ILE A 95 6.069 -16.460 -34.192 1.00 0.00 O ATOM 1429 CB ILE A 95 7.458 -14.238 -35.797 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.936 -14.604 -35.668 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.921 -13.690 -34.474 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.782 -13.338 -35.509 1.00 0.00 C ATOM 0 H ILE A 95 4.669 -15.107 -35.764 1.00 0.00 H new ATOM 0 HA ILE A 95 7.170 -15.800 -37.186 1.00 0.00 H new ATOM 0 HB ILE A 95 7.349 -13.446 -36.538 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.082 -15.258 -34.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.259 -15.158 -36.549 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.523 -12.836 -34.163 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.885 -13.376 -34.604 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.971 -14.467 -33.711 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.833 -13.612 -35.418 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.648 -12.699 -36.382 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.468 -12.801 -34.614 1.00 0.00 H new ATOM 1444 N GLY A 96 7.131 -17.759 -35.675 1.00 0.00 N ATOM 1445 CA GLY A 96 6.980 -18.948 -34.854 1.00 0.00 C ATOM 1446 C GLY A 96 5.500 -19.317 -34.736 1.00 0.00 C ATOM 1447 O GLY A 96 4.746 -19.211 -35.706 1.00 0.00 O ATOM 0 H GLY A 96 7.666 -17.894 -36.533 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.536 -19.776 -35.293 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.400 -18.772 -33.864 1.00 0.00 H new ATOM 1451 N MET A 97 5.087 -19.750 -33.542 1.00 0.00 N ATOM 1452 CA MET A 97 3.722 -20.184 -33.273 1.00 0.00 C ATOM 1453 C MET A 97 2.796 -19.044 -32.839 1.00 0.00 C ATOM 1454 O MET A 97 1.697 -19.310 -32.352 1.00 0.00 O ATOM 1455 CB MET A 97 3.744 -21.298 -32.222 1.00 0.00 C ATOM 1456 CG MET A 97 4.572 -22.493 -32.699 1.00 0.00 C ATOM 1457 SD MET A 97 3.961 -23.271 -34.220 1.00 0.00 S ATOM 1458 CE MET A 97 5.196 -24.583 -34.379 1.00 0.00 C ATOM 0 H MET A 97 5.701 -19.808 -32.729 1.00 0.00 H new ATOM 0 HA MET A 97 3.309 -20.560 -34.209 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.159 -20.914 -31.290 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.725 -21.620 -32.009 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.599 -22.166 -32.860 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.596 -23.242 -31.907 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.984 -25.176 -35.269 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.188 -24.140 -34.466 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.161 -25.225 -33.498 1.00 0.00 H new ATOM 1468 N LYS A 98 3.209 -17.781 -32.997 1.00 0.00 N ATOM 1469 CA LYS A 98 2.406 -16.640 -32.553 1.00 0.00 C ATOM 1470 C LYS A 98 2.595 -15.441 -33.482 1.00 0.00 C ATOM 1471 O LYS A 98 3.555 -15.387 -34.246 1.00 0.00 O ATOM 1472 CB LYS A 98 2.771 -16.316 -31.098 1.00 0.00 C ATOM 1473 CG LYS A 98 1.791 -15.342 -30.436 1.00 0.00 C ATOM 1474 CD LYS A 98 1.945 -15.416 -28.916 1.00 0.00 C ATOM 1475 CE LYS A 98 0.951 -14.486 -28.220 1.00 0.00 C ATOM 1476 NZ LYS A 98 0.993 -14.668 -26.758 1.00 0.00 N ATOM 0 H LYS A 98 4.096 -17.525 -33.430 1.00 0.00 H new ATOM 0 HA LYS A 98 1.346 -16.892 -32.596 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.800 -17.241 -30.522 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.774 -15.890 -31.067 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.982 -14.326 -30.782 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.768 -15.589 -30.721 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.787 -16.441 -28.580 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.962 -15.142 -28.636 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.182 -13.450 -28.468 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.056 -14.685 -28.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.483 -13.888 -26.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.543 -15.572 -26.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.982 -14.673 -26.437 1.00 0.00 H new ATOM 1490 N ARG A 99 1.678 -14.469 -33.420 1.00 0.00 N ATOM 1491 CA ARG A 99 1.755 -13.265 -34.238 1.00 0.00 C ATOM 1492 C ARG A 99 2.181 -12.065 -33.402 1.00 0.00 C ATOM 1493 O ARG A 99 1.754 -11.933 -32.260 1.00 0.00 O ATOM 1494 CB ARG A 99 0.410 -13.003 -34.911 1.00 0.00 C ATOM 1495 CG ARG A 99 0.057 -14.117 -35.893 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.299 -13.830 -36.534 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.651 -14.861 -37.515 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.397 -14.778 -38.827 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.764 -13.722 -39.336 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.779 -15.759 -39.641 1.00 0.00 N ATOM 0 H ARG A 99 0.867 -14.499 -32.802 1.00 0.00 H new ATOM 0 HA ARG A 99 2.509 -13.419 -35.010 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.369 -12.923 -34.153 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.443 -12.049 -35.436 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.825 -14.193 -36.663 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.029 -15.076 -35.375 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.066 -13.782 -35.761 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.275 -12.855 -37.020 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.122 -15.699 -37.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.466 -12.962 -38.724 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.578 -13.673 -40.338 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.265 -16.573 -39.265 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.586 -15.697 -40.641 1.00 0.00 H new ATOM 1514 N LEU A 100 3.015 -11.192 -33.964 1.00 0.00 N ATOM 1515 CA LEU A 100 3.461 -9.980 -33.288 1.00 0.00 C ATOM 1516 C LEU A 100 2.303 -9.007 -33.078 1.00 0.00 C ATOM 1517 O LEU A 100 1.528 -8.753 -33.999 1.00 0.00 O ATOM 1518 CB LEU A 100 4.557 -9.297 -34.111 1.00 0.00 C ATOM 1519 CG LEU A 100 5.806 -10.166 -34.276 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.830 -9.410 -35.112 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.425 -10.488 -32.918 1.00 0.00 C ATOM 0 H LEU A 100 3.400 -11.307 -34.902 1.00 0.00 H new ATOM 0 HA LEU A 100 3.855 -10.264 -32.312 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.162 -9.046 -35.096 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.834 -8.359 -33.630 1.00 0.00 H new ATOM 0 HG LEU A 100 5.520 -11.097 -34.765 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.723 -10.022 -35.234 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.407 -9.186 -36.091 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.094 -8.479 -34.610 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.311 -11.107 -33.060 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.705 -9.561 -32.417 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.701 -11.026 -32.306 1.00 0.00 H new ATOM 1533 N LYS A 101 2.194 -8.457 -31.867 1.00 0.00 N ATOM 1534 CA LYS A 101 1.273 -7.362 -31.597 1.00 0.00 C ATOM 1535 C LYS A 101 2.037 -6.057 -31.805 1.00 0.00 C ATOM 1536 O LYS A 101 3.190 -5.957 -31.384 1.00 0.00 O ATOM 1537 CB LYS A 101 0.732 -7.483 -30.168 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.330 -6.416 -29.869 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.506 -6.194 -28.361 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.731 -7.488 -27.573 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.025 -8.116 -27.906 1.00 0.00 N ATOM 0 H LYS A 101 2.737 -8.757 -31.057 1.00 0.00 H new ATOM 0 HA LYS A 101 0.415 -7.388 -32.269 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.302 -8.474 -30.025 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.554 -7.387 -29.459 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.046 -5.477 -30.344 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.282 -6.718 -30.305 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.378 -5.690 -27.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.352 -5.527 -28.197 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.078 -8.188 -27.785 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.695 -7.274 -26.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.110 -9.023 -27.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.801 -7.486 -27.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.077 -8.282 -28.931 1.00 0.00 H new ATOM 1555 N VAL A 102 1.415 -5.063 -32.443 1.00 0.00 N ATOM 1556 CA VAL A 102 2.016 -3.745 -32.615 1.00 0.00 C ATOM 1557 C VAL A 102 0.960 -2.698 -32.290 1.00 0.00 C ATOM 1558 O VAL A 102 -0.191 -2.839 -32.702 1.00 0.00 O ATOM 1559 CB VAL A 102 2.560 -3.599 -34.041 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.090 -2.188 -34.297 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.689 -4.601 -34.298 1.00 0.00 C ATOM 0 H VAL A 102 0.485 -5.151 -32.852 1.00 0.00 H new ATOM 0 HA VAL A 102 2.862 -3.609 -31.941 1.00 0.00 H new ATOM 0 HB VAL A 102 1.729 -3.796 -34.719 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.468 -2.121 -35.317 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.285 -1.466 -34.160 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.896 -1.969 -33.597 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.059 -4.479 -35.316 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.501 -4.423 -33.593 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.312 -5.615 -34.169 1.00 0.00 H new ATOM 1571 N GLN A 103 1.337 -1.647 -31.554 1.00 0.00 N ATOM 1572 CA GLN A 103 0.368 -0.660 -31.100 1.00 0.00 C ATOM 1573 C GLN A 103 1.005 0.719 -30.924 1.00 0.00 C ATOM 1574 O GLN A 103 2.223 0.831 -30.817 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.248 -1.169 -29.793 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.390 -0.280 -29.293 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.213 -0.924 -28.176 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.127 -0.302 -27.645 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -1.909 -2.165 -27.802 1.00 0.00 N ATOM 0 H GLN A 103 2.298 -1.464 -31.265 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.411 -0.536 -31.852 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.620 -2.182 -29.942 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.526 -1.223 -29.028 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.977 0.662 -28.933 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.048 -0.041 -30.129 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.144 -2.662 -28.258 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.441 -2.618 -27.059 1.00 0.00 H new ATOM 1588 N LEU A 104 0.179 1.768 -30.890 1.00 0.00 N ATOM 1589 CA LEU A 104 0.626 3.133 -30.672 1.00 0.00 C ATOM 1590 C LEU A 104 0.967 3.354 -29.195 1.00 0.00 C ATOM 1591 O LEU A 104 0.433 2.673 -28.322 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.490 4.086 -31.119 1.00 0.00 C ATOM 1593 CG LEU A 104 0.010 5.182 -32.065 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.194 5.952 -32.606 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.921 6.165 -31.342 1.00 0.00 C ATOM 0 H LEU A 104 -0.830 1.685 -31.015 1.00 0.00 H new ATOM 0 HA LEU A 104 1.528 3.326 -31.252 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.274 3.513 -31.615 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.941 4.548 -30.241 1.00 0.00 H new ATOM 0 HG LEU A 104 0.573 4.709 -32.870 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.851 6.736 -33.281 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.850 5.269 -33.146 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.741 6.401 -31.777 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.259 6.930 -32.041 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.373 6.636 -30.526 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.784 5.634 -30.941 1.00 0.00 H new ATOM 1607 N LYS A 105 1.859 4.307 -28.913 1.00 0.00 N ATOM 1608 CA LYS A 105 2.195 4.709 -27.553 1.00 0.00 C ATOM 1609 C LYS A 105 1.000 5.413 -26.910 1.00 0.00 C ATOM 1610 O LYS A 105 0.129 5.922 -27.613 1.00 0.00 O ATOM 1611 CB LYS A 105 3.432 5.611 -27.602 1.00 0.00 C ATOM 1612 CG LYS A 105 3.855 6.119 -26.223 1.00 0.00 C ATOM 1613 CD LYS A 105 5.146 6.934 -26.354 1.00 0.00 C ATOM 1614 CE LYS A 105 5.570 7.462 -24.986 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.758 8.333 -25.094 1.00 0.00 N ATOM 0 H LYS A 105 2.370 4.822 -29.630 1.00 0.00 H new ATOM 0 HA LYS A 105 2.425 3.838 -26.940 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.259 5.060 -28.050 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.228 6.463 -28.250 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.065 6.735 -25.792 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.009 5.279 -25.546 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.937 6.313 -26.775 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.993 7.765 -27.043 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.747 8.019 -24.537 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.788 6.625 -24.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.064 8.622 -24.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.528 7.814 -25.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.520 9.177 -25.653 1.00 0.00 H new ATOM 1629 N ARG A 106 0.952 5.445 -25.576 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.129 6.078 -24.828 1.00 0.00 C ATOM 1631 C ARG A 106 0.401 6.687 -23.533 1.00 0.00 C ATOM 1632 O ARG A 106 1.475 6.319 -23.062 1.00 0.00 O ATOM 1633 CB ARG A 106 -1.238 5.057 -24.554 1.00 0.00 C ATOM 1634 CG ARG A 106 -0.706 3.879 -23.732 1.00 0.00 C ATOM 1635 CD ARG A 106 -1.824 2.883 -23.406 1.00 0.00 C ATOM 1636 NE ARG A 106 -2.400 2.281 -24.614 1.00 0.00 N ATOM 1637 CZ ARG A 106 -3.622 2.547 -25.092 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -4.422 3.424 -24.490 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -4.054 1.924 -26.186 1.00 0.00 N ATOM 0 H ARG A 106 1.670 5.028 -24.983 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.550 6.888 -25.423 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.057 5.538 -24.019 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.644 4.693 -25.498 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.085 3.374 -24.285 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.263 4.248 -22.807 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.431 2.096 -22.762 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.609 3.391 -22.846 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.827 1.611 -25.127 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.107 3.907 -23.649 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.350 3.613 -24.870 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.455 1.246 -26.657 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.984 2.124 -26.553 1.00 0.00 H new ATOM 1653 N SER A 107 -0.360 7.622 -22.963 1.00 0.00 N ATOM 1654 CA SER A 107 0.009 8.295 -21.723 1.00 0.00 C ATOM 1655 C SER A 107 0.107 7.303 -20.567 1.00 0.00 C ATOM 1656 O SER A 107 -0.531 6.247 -20.588 1.00 0.00 O ATOM 1657 CB SER A 107 -1.018 9.376 -21.400 1.00 0.00 C ATOM 1658 OG SER A 107 -0.694 10.010 -20.181 1.00 0.00 O ATOM 0 H SER A 107 -1.251 7.933 -23.351 1.00 0.00 H new ATOM 0 HA SER A 107 0.989 8.753 -21.858 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.047 10.111 -22.204 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.013 8.935 -21.335 1.00 0.00 H new ATOM 0 HG SER A 107 -1.359 10.702 -19.985 1.00 0.00 H new ATOM 1664 N LYS A 108 0.907 7.644 -19.557 1.00 0.00 N ATOM 1665 CA LYS A 108 1.114 6.783 -18.400 1.00 0.00 C ATOM 1666 C LYS A 108 -0.121 6.739 -17.510 1.00 0.00 C ATOM 1667 O LYS A 108 -0.164 5.965 -16.558 1.00 0.00 O ATOM 1668 CB LYS A 108 2.342 7.253 -17.622 1.00 0.00 C ATOM 1669 CG LYS A 108 3.550 7.319 -18.557 1.00 0.00 C ATOM 1670 CD LYS A 108 4.817 7.598 -17.750 1.00 0.00 C ATOM 1671 CE LYS A 108 6.005 7.828 -18.689 1.00 0.00 C ATOM 1672 NZ LYS A 108 6.246 6.664 -19.565 1.00 0.00 N ATOM 0 H LYS A 108 1.426 8.521 -19.520 1.00 0.00 H new ATOM 0 HA LYS A 108 1.289 5.766 -18.750 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.154 8.234 -17.185 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.545 6.570 -16.797 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.653 6.379 -19.099 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.403 8.102 -19.301 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.669 8.474 -17.119 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.026 6.759 -17.087 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.819 8.711 -19.301 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.900 8.031 -18.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.174 6.761 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.230 5.793 -18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.504 6.617 -20.292 1.00 0.00 H new ATOM 1686 N ASN A 109 -1.135 7.555 -17.811 1.00 0.00 N ATOM 1687 CA ASN A 109 -2.399 7.523 -17.089 1.00 0.00 C ATOM 1688 C ASN A 109 -3.130 6.211 -17.354 1.00 0.00 C ATOM 1689 O ASN A 109 -4.065 5.869 -16.631 1.00 0.00 O ATOM 1690 CB ASN A 109 -3.251 8.721 -17.510 1.00 0.00 C ATOM 1691 CG ASN A 109 -2.577 10.054 -17.190 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -1.680 10.136 -16.352 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -3.008 11.120 -17.861 1.00 0.00 N ATOM 0 H ASN A 109 -1.099 8.250 -18.557 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.208 7.585 -16.018 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -3.449 8.665 -18.580 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.215 8.674 -17.004 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.593 12.035 -17.686 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.754 11.022 -18.550 1.00 0.00 H new ATOM 1700 N ASP A 110 -2.711 5.475 -18.388 1.00 0.00 N ATOM 1701 CA ASP A 110 -3.256 4.162 -18.707 1.00 0.00 C ATOM 1702 C ASP A 110 -2.467 3.009 -18.092 1.00 0.00 C ATOM 1703 O ASP A 110 -2.920 1.867 -18.112 1.00 0.00 O ATOM 1704 CB ASP A 110 -3.356 3.997 -20.224 1.00 0.00 C ATOM 1705 CG ASP A 110 -4.395 4.924 -20.863 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -4.449 4.927 -22.115 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -5.118 5.615 -20.113 1.00 0.00 O ATOM 0 H ASP A 110 -1.979 5.780 -19.029 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.250 4.116 -18.261 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.381 4.193 -20.670 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.610 2.963 -20.455 1.00 0.00 H new ATOM 1712 N SER A 111 -1.278 3.301 -17.545 1.00 0.00 N ATOM 1713 CA SER A 111 -0.407 2.292 -16.957 1.00 0.00 C ATOM 1714 C SER A 111 -0.851 1.940 -15.538 1.00 0.00 C ATOM 1715 O SER A 111 -0.376 0.963 -14.961 1.00 0.00 O ATOM 1716 CB SER A 111 1.028 2.823 -16.968 1.00 0.00 C ATOM 1717 OG SER A 111 1.918 1.838 -16.489 1.00 0.00 O ATOM 0 H SER A 111 -0.899 4.247 -17.501 1.00 0.00 H new ATOM 0 HA SER A 111 -0.463 1.375 -17.544 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.308 3.114 -17.981 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.097 3.717 -16.349 1.00 0.00 H new ATOM 0 HG SER A 111 1.466 1.288 -15.816 1.00 0.00 H new ATOM 1723 N LYS A 112 -1.763 2.734 -14.963 1.00 0.00 N ATOM 1724 CA LYS A 112 -2.267 2.496 -13.614 1.00 0.00 C ATOM 1725 C LYS A 112 -3.001 1.151 -13.543 1.00 0.00 C ATOM 1726 O LYS A 112 -3.517 0.679 -14.557 1.00 0.00 O ATOM 1727 CB LYS A 112 -3.190 3.647 -13.200 1.00 0.00 C ATOM 1728 CG LYS A 112 -4.465 3.685 -14.042 1.00 0.00 C ATOM 1729 CD LYS A 112 -5.293 4.920 -13.676 1.00 0.00 C ATOM 1730 CE LYS A 112 -6.660 4.878 -14.363 1.00 0.00 C ATOM 1731 NZ LYS A 112 -6.532 4.775 -15.829 1.00 0.00 N ATOM 0 H LYS A 112 -2.167 3.552 -15.419 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.427 2.453 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.453 3.541 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.659 4.593 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.211 3.707 -15.102 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -5.050 2.781 -13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.425 4.968 -12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.759 5.823 -13.972 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.230 4.028 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.222 5.777 -14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.299 5.310 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.615 5.165 -16.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.591 3.776 -16.113 1.00 0.00 H new ATOM 1745 N PRO A 113 -3.053 0.525 -12.361 1.00 0.00 N ATOM 1746 CA PRO A 113 -3.723 -0.751 -12.151 1.00 0.00 C ATOM 1747 C PRO A 113 -5.246 -0.599 -12.148 1.00 0.00 C ATOM 1748 O PRO A 113 -5.968 -1.589 -12.267 1.00 0.00 O ATOM 1749 CB PRO A 113 -3.227 -1.222 -10.785 1.00 0.00 C ATOM 1750 CG PRO A 113 -2.998 0.086 -10.034 1.00 0.00 C ATOM 1751 CD PRO A 113 -2.454 1.002 -11.130 1.00 0.00 C ATOM 0 HA PRO A 113 -3.500 -1.459 -12.949 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -3.962 -1.852 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.310 -1.806 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.921 0.473 -9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -2.288 -0.034 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -2.720 2.042 -10.941 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -1.366 0.955 -11.178 1.00 0.00 H new ATOM 1759 N TRP A 114 -5.735 0.638 -12.007 1.00 0.00 N ATOM 1760 CA TRP A 114 -7.156 0.939 -11.967 1.00 0.00 C ATOM 1761 C TRP A 114 -7.814 0.823 -13.340 1.00 0.00 C ATOM 1762 O TRP A 114 -8.814 0.078 -13.438 1.00 0.00 O ATOM 1763 CB TRP A 114 -7.369 2.322 -11.356 1.00 0.00 C ATOM 1764 CG TRP A 114 -7.007 2.433 -9.905 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -5.812 2.843 -9.422 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -7.799 2.069 -8.731 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -5.814 2.783 -8.047 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -7.018 2.311 -7.564 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -9.098 1.562 -8.528 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -7.495 2.065 -6.270 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -9.586 1.309 -7.235 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -8.790 1.557 -6.109 1.00 0.00 C ATOM 0 H TRP A 114 -5.142 1.463 -11.917 1.00 0.00 H new ATOM 0 HA TRP A 114 -7.643 0.194 -11.337 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -6.781 3.047 -11.919 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -8.416 2.599 -11.477 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.979 3.169 -10.026 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.025 3.053 -7.459 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -9.730 1.364 -9.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.873 2.264 -5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -10.585 0.919 -7.108 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -9.174 1.357 -5.120 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 3.019 -14.639 -24.683 1.00 0.00 O ATOM 1785 C5' U B 115 2.755 -13.650 -23.710 1.00 0.00 C ATOM 1786 C4' U B 115 2.731 -12.274 -24.377 1.00 0.00 C ATOM 1787 O4' U B 115 1.599 -12.164 -25.225 1.00 0.00 O ATOM 1788 C3' U B 115 2.579 -11.178 -23.326 1.00 0.00 C ATOM 1789 O3' U B 115 3.056 -9.959 -23.856 1.00 0.00 O ATOM 1790 C2' U B 115 1.066 -11.145 -23.149 1.00 0.00 C ATOM 1791 O2' U B 115 0.627 -9.912 -22.615 1.00 0.00 O ATOM 1792 C1' U B 115 0.613 -11.364 -24.588 1.00 0.00 C ATOM 1793 N1 U B 115 -0.728 -11.984 -24.704 1.00 0.00 N ATOM 1794 C2 U B 115 -1.638 -11.392 -25.570 1.00 0.00 C ATOM 1795 O2 U B 115 -1.369 -10.389 -26.227 1.00 0.00 O ATOM 1796 N3 U B 115 -2.884 -11.994 -25.660 1.00 0.00 N ATOM 1797 C4 U B 115 -3.291 -13.124 -24.972 1.00 0.00 C ATOM 1798 O4 U B 115 -4.422 -13.582 -25.128 1.00 0.00 O ATOM 1799 C5 U B 115 -2.282 -13.675 -24.097 1.00 0.00 C ATOM 1800 C6 U B 115 -1.062 -13.101 -23.982 1.00 0.00 C ATOM 0 H5' U B 115 3.519 -13.676 -22.933 1.00 0.00 H new ATOM 0 H5'' U B 115 1.799 -13.848 -23.225 1.00 0.00 H new ATOM 0 H4' U B 115 3.662 -12.164 -24.933 1.00 0.00 H new ATOM 0 H3' U B 115 3.124 -11.341 -22.396 1.00 0.00 H new ATOM 0 H2' U B 115 0.668 -11.875 -22.444 1.00 0.00 H new ATOM 0 HO2' U B 115 0.927 -9.180 -23.193 1.00 0.00 H new ATOM 0 HO5' U B 115 3.571 -14.257 -25.396 1.00 0.00 H new ATOM 0 H1' U B 115 0.513 -10.392 -25.072 1.00 0.00 H new ATOM 0 H3 U B 115 -3.562 -11.565 -26.290 1.00 0.00 H new ATOM 0 H5 U B 115 -2.506 -14.562 -23.523 1.00 0.00 H new ATOM 0 H6 U B 115 -0.336 -13.531 -23.308 1.00 0.00 H new ATOM 1811 P U B 116 4.635 -9.715 -24.050 1.00 0.00 P ATOM 1812 OP1 U B 116 4.962 -9.911 -25.480 1.00 0.00 O ATOM 1813 OP2 U B 116 5.361 -10.488 -23.015 1.00 0.00 O ATOM 1814 O5' U B 116 4.771 -8.154 -23.699 1.00 0.00 O ATOM 1815 C5' U B 116 4.452 -7.679 -22.409 1.00 0.00 C ATOM 1816 C4' U B 116 4.669 -6.168 -22.380 1.00 0.00 C ATOM 1817 O4' U B 116 3.748 -5.529 -23.245 1.00 0.00 O ATOM 1818 C3' U B 116 4.418 -5.596 -20.991 1.00 0.00 C ATOM 1819 O3' U B 116 5.165 -4.402 -20.914 1.00 0.00 O ATOM 1820 C2' U B 116 2.912 -5.341 -21.042 1.00 0.00 C ATOM 1821 O2' U B 116 2.498 -4.307 -20.171 1.00 0.00 O ATOM 1822 C1' U B 116 2.684 -4.967 -22.499 1.00 0.00 C ATOM 1823 N1 U B 116 1.377 -5.470 -22.975 1.00 0.00 N ATOM 1824 C2 U B 116 0.291 -4.608 -22.906 1.00 0.00 C ATOM 1825 O2 U B 116 0.377 -3.475 -22.436 1.00 0.00 O ATOM 1826 N3 U B 116 -0.913 -5.088 -23.397 1.00 0.00 N ATOM 1827 C4 U B 116 -1.126 -6.344 -23.937 1.00 0.00 C ATOM 1828 O4 U B 116 -2.231 -6.661 -24.366 1.00 0.00 O ATOM 1829 C5 U B 116 0.047 -7.188 -23.930 1.00 0.00 C ATOM 1830 C6 U B 116 1.234 -6.745 -23.459 1.00 0.00 C ATOM 0 H5' U B 116 5.078 -8.166 -21.661 1.00 0.00 H new ATOM 0 H5'' U B 116 3.417 -7.918 -22.163 1.00 0.00 H new ATOM 0 H4' U B 116 5.701 -5.993 -22.684 1.00 0.00 H new ATOM 0 H3' U B 116 4.698 -6.209 -20.134 1.00 0.00 H new ATOM 0 H2' U B 116 2.334 -6.204 -20.713 1.00 0.00 H new ATOM 0 HO2' U B 116 3.057 -4.314 -19.366 1.00 0.00 H new ATOM 0 H1' U B 116 2.664 -3.884 -22.619 1.00 0.00 H new ATOM 0 H3 U B 116 -1.714 -4.458 -23.357 1.00 0.00 H new ATOM 0 H5 U B 116 -0.026 -8.196 -24.310 1.00 0.00 H new ATOM 0 H6 U B 116 2.086 -7.408 -23.464 1.00 0.00 H new ATOM 1841 P U B 117 5.630 -3.775 -19.509 1.00 0.00 P ATOM 1842 OP1 U B 117 6.999 -4.256 -19.212 1.00 0.00 O ATOM 1843 OP2 U B 117 4.558 -3.967 -18.506 1.00 0.00 O ATOM 1844 O5' U B 117 5.707 -2.210 -19.882 1.00 0.00 O ATOM 1845 C5' U B 117 4.535 -1.422 -19.912 1.00 0.00 C ATOM 1846 C4' U B 117 4.835 -0.072 -20.571 1.00 0.00 C ATOM 1847 O4' U B 117 4.406 -0.094 -21.929 1.00 0.00 O ATOM 1848 C3' U B 117 4.055 1.036 -19.857 1.00 0.00 C ATOM 1849 O3' U B 117 4.779 2.252 -19.847 1.00 0.00 O ATOM 1850 C2' U B 117 2.837 1.164 -20.760 1.00 0.00 C ATOM 1851 O2' U B 117 2.191 2.416 -20.636 1.00 0.00 O ATOM 1852 C1' U B 117 3.485 0.965 -22.118 1.00 0.00 C ATOM 1853 N1 U B 117 2.470 0.660 -23.150 1.00 0.00 N ATOM 1854 C2 U B 117 2.229 1.617 -24.130 1.00 0.00 C ATOM 1855 O2 U B 117 2.823 2.692 -24.175 1.00 0.00 O ATOM 1856 N3 U B 117 1.266 1.304 -25.069 1.00 0.00 N ATOM 1857 C4 U B 117 0.495 0.157 -25.088 1.00 0.00 C ATOM 1858 O4 U B 117 -0.374 0.007 -25.943 1.00 0.00 O ATOM 1859 C5 U B 117 0.819 -0.787 -24.043 1.00 0.00 C ATOM 1860 C6 U B 117 1.776 -0.519 -23.125 1.00 0.00 C ATOM 0 H5' U B 117 4.163 -1.268 -18.899 1.00 0.00 H new ATOM 0 H5'' U B 117 3.751 -1.940 -20.464 1.00 0.00 H new ATOM 0 H4' U B 117 5.908 0.113 -20.510 1.00 0.00 H new ATOM 0 H3' U B 117 3.836 0.818 -18.812 1.00 0.00 H new ATOM 0 H2' U B 117 2.032 0.464 -20.537 1.00 0.00 H new ATOM 0 HO2' U B 117 2.844 3.096 -20.366 1.00 0.00 H new ATOM 0 H1' U B 117 3.989 1.862 -22.478 1.00 0.00 H new ATOM 0 H3 U B 117 1.110 1.980 -25.816 1.00 0.00 H new ATOM 0 H5 U B 117 0.287 -1.725 -23.994 1.00 0.00 H new ATOM 0 H6 U B 117 1.996 -1.248 -22.359 1.00 0.00 H new ATOM 1871 P A B 118 5.703 2.689 -18.598 1.00 0.00 P ATOM 1872 OP1 A B 118 5.203 2.014 -17.380 1.00 0.00 O ATOM 1873 OP2 A B 118 5.792 4.166 -18.617 1.00 0.00 O ATOM 1874 O5' A B 118 7.181 2.125 -18.932 1.00 0.00 O ATOM 1875 C5' A B 118 7.625 0.870 -18.459 1.00 0.00 C ATOM 1876 C4' A B 118 9.136 0.728 -18.667 1.00 0.00 C ATOM 1877 O4' A B 118 9.426 0.604 -20.051 1.00 0.00 O ATOM 1878 C3' A B 118 9.876 1.943 -18.095 1.00 0.00 C ATOM 1879 O3' A B 118 10.968 1.594 -17.269 1.00 0.00 O ATOM 1880 C2' A B 118 10.366 2.686 -19.332 1.00 0.00 C ATOM 1881 O2' A B 118 11.721 3.063 -19.228 1.00 0.00 O ATOM 1882 C1' A B 118 10.158 1.728 -20.501 1.00 0.00 C ATOM 1883 N9 A B 118 9.460 2.455 -21.571 1.00 0.00 N ATOM 1884 C8 A B 118 8.125 2.528 -21.874 1.00 0.00 C ATOM 1885 N7 A B 118 7.852 3.337 -22.864 1.00 0.00 N ATOM 1886 C5 A B 118 9.100 3.818 -23.249 1.00 0.00 C ATOM 1887 C6 A B 118 9.528 4.741 -24.224 1.00 0.00 C ATOM 1888 N6 A B 118 8.696 5.385 -25.043 1.00 0.00 N ATOM 1889 N1 A B 118 10.840 4.985 -24.327 1.00 0.00 N ATOM 1890 C2 A B 118 11.686 4.345 -23.532 1.00 0.00 C ATOM 1891 N3 A B 118 11.420 3.467 -22.578 1.00 0.00 N ATOM 1892 C4 A B 118 10.088 3.258 -22.485 1.00 0.00 C ATOM 0 H5' A B 118 7.102 0.070 -18.983 1.00 0.00 H new ATOM 0 H5'' A B 118 7.385 0.767 -17.401 1.00 0.00 H new ATOM 0 H4' A B 118 9.472 -0.167 -18.144 1.00 0.00 H new ATOM 0 H3' A B 118 9.222 2.533 -17.453 1.00 0.00 H new ATOM 0 H2' A B 118 9.814 3.617 -19.463 1.00 0.00 H new ATOM 0 HO2' A B 118 12.198 2.418 -18.664 1.00 0.00 H new ATOM 0 H1' A B 118 11.107 1.364 -20.896 1.00 0.00 H new ATOM 0 H8 A B 118 7.368 1.969 -21.344 1.00 0.00 H new ATOM 0 H61 A B 118 9.064 6.043 -25.730 1.00 0.00 H new ATOM 0 H62 A B 118 7.691 5.220 -24.982 1.00 0.00 H new ATOM 0 H2 A B 118 12.731 4.570 -23.683 1.00 0.00 H new ATOM 1904 P A B 119 10.750 0.923 -15.824 1.00 0.00 P ATOM 1905 OP1 A B 119 9.392 1.271 -15.345 1.00 0.00 O ATOM 1906 OP2 A B 119 11.928 1.233 -14.984 1.00 0.00 O ATOM 1907 O5' A B 119 10.782 -0.645 -16.159 1.00 0.00 O ATOM 1908 C5' A B 119 11.976 -1.252 -16.603 1.00 0.00 C ATOM 1909 C4' A B 119 11.829 -1.703 -18.056 1.00 0.00 C ATOM 1910 O4' A B 119 11.901 -0.600 -18.944 1.00 0.00 O ATOM 1911 C3' A B 119 12.983 -2.632 -18.397 1.00 0.00 C ATOM 1912 O3' A B 119 12.549 -3.588 -19.335 1.00 0.00 O ATOM 1913 C2' A B 119 14.023 -1.697 -18.991 1.00 0.00 C ATOM 1914 O2' A B 119 14.798 -2.335 -19.984 1.00 0.00 O ATOM 1915 C1' A B 119 13.172 -0.571 -19.569 1.00 0.00 C ATOM 1916 N9 A B 119 13.865 0.711 -19.378 1.00 0.00 N ATOM 1917 C8 A B 119 13.986 1.465 -18.239 1.00 0.00 C ATOM 1918 N7 A B 119 14.717 2.539 -18.390 1.00 0.00 N ATOM 1919 C5 A B 119 15.089 2.494 -19.736 1.00 0.00 C ATOM 1920 C6 A B 119 15.872 3.331 -20.553 1.00 0.00 C ATOM 1921 N6 A B 119 16.464 4.449 -20.123 1.00 0.00 N ATOM 1922 N1 A B 119 16.040 2.986 -21.839 1.00 0.00 N ATOM 1923 C2 A B 119 15.466 1.876 -22.288 1.00 0.00 C ATOM 1924 N3 A B 119 14.716 1.006 -21.635 1.00 0.00 N ATOM 1925 C4 A B 119 14.561 1.388 -20.345 1.00 0.00 C ATOM 0 H5' A B 119 12.215 -2.108 -15.971 1.00 0.00 H new ATOM 0 H5'' A B 119 12.805 -0.549 -16.514 1.00 0.00 H new ATOM 0 H4' A B 119 10.863 -2.196 -18.163 1.00 0.00 H new ATOM 0 H3' A B 119 13.374 -3.191 -17.547 1.00 0.00 H new ATOM 0 H2' A B 119 14.755 -1.350 -18.262 1.00 0.00 H new ATOM 0 HO2' A B 119 15.454 -1.702 -20.343 1.00 0.00 H new ATOM 0 HO3' A B 119 13.179 -4.339 -19.352 1.00 0.00 H new ATOM 0 H1' A B 119 13.023 -0.699 -20.641 1.00 0.00 H new ATOM 0 H8 A B 119 13.520 1.196 -17.302 1.00 0.00 H new ATOM 0 H61 A B 119 17.019 5.012 -20.767 1.00 0.00 H new ATOM 0 H62 A B 119 16.361 4.739 -19.151 1.00 0.00 H new ATOM 0 H2 A B 119 15.636 1.654 -23.331 1.00 0.00 H new TER 1937 A B 119