USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 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 69 GLN :FLIP amide:sc= 1.44 F(o=-0.55,f=1) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -0.405 USER MOD Set 2.1: A 21 SER OG : rot 160:sc= 0 USER MOD Set 2.2: A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 22 MET CE :methyl -138:sc= -0.688 (180deg=-1.48) USER MOD Set 3.2: A 68 GLN :FLIP amide:sc= -0.394 F(o=-3.3,f=-1.1) USER MOD Set 3.3: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.121 (180deg=-0.586) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.14) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0056) USER MOD Single : A 5 HIS : no HE2:sc= 0.0358 K(o=0.036,f=-2.3!) USER MOD Single : A 6 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.0064) USER MOD Single : A 8 HIS : no HE2:sc= 0.834 K(o=0.83,f=-2.5!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.89) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.21 USER MOD Single : A 37 SER OG : rot -27:sc= 0.542 USER MOD Single : A 38 CYS SG : rot 96:sc= -2.22! USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.082) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 75 LYS NZ :NH3+ -133:sc= 0.496 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 78 LYS NZ :NH3+ -127:sc= -1.26! (180deg=-3.42!) USER MOD Single : A 80 ASN : amide:sc= 0.0503 K(o=0.05,f=-2.9!) USER MOD Single : A 84 ASN : amide:sc= 0.724 K(o=0.72,f=-2.3!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -14:sc= -1.72! USER MOD Single : A 101 MET CE :methyl 137:sc= -0.0301 (180deg=-2.36!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.478 K(o=-0.48,f=-1.3) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.3) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 177:sc= 0.166 (180deg=0.156) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.822 F(o=-2.7!,f=-0.82) USER MOD Single : A 125 ASN : amide:sc= -0.797 K(o=-0.8,f=-2.6!) USER MOD Single : A 126 ASN : amide:sc= -0.262 K(o=-0.26,f=-7!) USER MOD Single : A 128 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.916 22.369 -4.499 1.00 73.24 N ATOM 2 CA MET A 1 -16.643 21.280 -5.464 1.00 53.02 C ATOM 3 C MET A 1 -15.142 21.154 -5.691 1.00 61.40 C ATOM 4 O MET A 1 -14.551 21.941 -6.431 1.00 10.15 O ATOM 5 CB MET A 1 -17.361 21.552 -6.796 1.00 60.25 C ATOM 6 CG MET A 1 -18.882 21.518 -6.696 1.00 75.42 C ATOM 7 SD MET A 1 -19.699 21.929 -8.255 1.00 33.20 S ATOM 8 CE MET A 1 -19.022 20.678 -9.346 1.00 63.14 C ATOM 0 H1 MET A 1 -17.913 22.331 -4.206 1.00 73.24 H new ATOM 0 H2 MET A 1 -16.305 22.255 -3.665 1.00 73.24 H new ATOM 0 H3 MET A 1 -16.722 23.287 -4.948 1.00 73.24 H new ATOM 0 HA MET A 1 -17.020 20.343 -5.054 1.00 53.02 H new ATOM 0 HB2 MET A 1 -17.053 22.528 -7.171 1.00 60.25 H new ATOM 0 HB3 MET A 1 -17.038 20.813 -7.529 1.00 60.25 H new ATOM 0 HG2 MET A 1 -19.198 20.525 -6.377 1.00 75.42 H new ATOM 0 HG3 MET A 1 -19.206 22.218 -5.926 1.00 75.42 H new ATOM 0 HE1 MET A 1 -19.658 20.580 -10.226 1.00 63.14 H new ATOM 0 HE2 MET A 1 -18.018 20.969 -9.655 1.00 63.14 H new ATOM 0 HE3 MET A 1 -18.978 19.723 -8.822 1.00 63.14 H new ATOM 20 N ALA A 2 -14.524 20.190 -5.022 1.00 4.20 N ATOM 21 CA ALA A 2 -13.087 19.979 -5.126 1.00 23.41 C ATOM 22 C ALA A 2 -12.778 18.857 -6.110 1.00 34.04 C ATOM 23 O ALA A 2 -13.349 17.766 -6.018 1.00 4.43 O ATOM 24 CB ALA A 2 -12.500 19.663 -3.754 1.00 14.54 C ATOM 0 H ALA A 2 -14.999 19.538 -4.398 1.00 4.20 H new ATOM 0 HA ALA A 2 -12.629 20.895 -5.499 1.00 23.41 H new ATOM 0 HB1 ALA A 2 -11.425 19.507 -3.845 1.00 14.54 H new ATOM 0 HB2 ALA A 2 -12.690 20.495 -3.076 1.00 14.54 H new ATOM 0 HB3 ALA A 2 -12.965 18.760 -3.358 1.00 14.54 H new ATOM 30 N HIS A 3 -11.887 19.134 -7.058 1.00 52.43 N ATOM 31 CA HIS A 3 -11.442 18.130 -8.019 1.00 23.31 C ATOM 32 C HIS A 3 -10.762 16.978 -7.288 1.00 63.32 C ATOM 33 O HIS A 3 -9.744 17.173 -6.620 1.00 44.40 O ATOM 34 CB HIS A 3 -10.467 18.742 -9.037 1.00 42.32 C ATOM 35 CG HIS A 3 -11.108 19.681 -10.017 1.00 31.34 C ATOM 36 ND1 HIS A 3 -11.281 21.029 -9.776 1.00 43.53 N ATOM 37 CD2 HIS A 3 -11.608 19.460 -11.258 1.00 4.31 C ATOM 38 CE1 HIS A 3 -11.855 21.593 -10.821 1.00 23.24 C ATOM 39 NE2 HIS A 3 -12.064 20.663 -11.733 1.00 65.04 N ATOM 0 H HIS A 3 -11.457 20.051 -7.181 1.00 52.43 H new ATOM 0 HA HIS A 3 -12.315 17.758 -8.555 1.00 23.31 H new ATOM 0 HB2 HIS A 3 -9.685 19.276 -8.498 1.00 42.32 H new ATOM 0 HB3 HIS A 3 -9.981 17.936 -9.588 1.00 42.32 H new ATOM 0 HD2 HIS A 3 -11.641 18.513 -11.776 1.00 4.31 H new ATOM 0 HE1 HIS A 3 -12.110 22.638 -10.914 1.00 23.24 H new ATOM 0 HE2 HIS A 3 -12.495 20.814 -12.645 1.00 65.04 H new ATOM 48 N HIS A 4 -11.336 15.789 -7.395 1.00 71.22 N ATOM 49 CA HIS A 4 -10.751 14.599 -6.796 1.00 40.44 C ATOM 50 C HIS A 4 -9.473 14.241 -7.553 1.00 42.51 C ATOM 51 O HIS A 4 -9.529 13.716 -8.667 1.00 15.33 O ATOM 52 CB HIS A 4 -11.755 13.433 -6.817 1.00 22.12 C ATOM 53 CG HIS A 4 -12.999 13.694 -6.013 1.00 24.11 C ATOM 54 ND1 HIS A 4 -13.377 12.922 -4.933 1.00 5.22 N ATOM 55 CD2 HIS A 4 -13.952 14.652 -6.133 1.00 70.13 C ATOM 56 CE1 HIS A 4 -14.501 13.395 -4.427 1.00 43.14 C ATOM 57 NE2 HIS A 4 -14.871 14.444 -5.136 1.00 33.43 N ATOM 0 H HIS A 4 -12.210 15.622 -7.893 1.00 71.22 H new ATOM 0 HA HIS A 4 -10.504 14.796 -5.753 1.00 40.44 H new ATOM 0 HB2 HIS A 4 -12.037 13.226 -7.849 1.00 22.12 H new ATOM 0 HB3 HIS A 4 -11.266 12.537 -6.434 1.00 22.12 H new ATOM 0 HD2 HIS A 4 -13.982 15.435 -6.877 1.00 70.13 H new ATOM 0 HE1 HIS A 4 -15.029 12.991 -3.576 1.00 43.14 H new ATOM 0 HE2 HIS A 4 -15.704 15.008 -4.970 1.00 33.43 H new ATOM 66 N HIS A 5 -8.324 14.569 -6.955 1.00 33.03 N ATOM 67 CA HIS A 5 -7.024 14.440 -7.628 1.00 63.31 C ATOM 68 C HIS A 5 -6.804 13.033 -8.178 1.00 14.45 C ATOM 69 O HIS A 5 -6.073 12.860 -9.151 1.00 33.53 O ATOM 70 CB HIS A 5 -5.868 14.834 -6.692 1.00 65.22 C ATOM 71 CG HIS A 5 -5.665 13.915 -5.523 1.00 2.32 C ATOM 72 ND1 HIS A 5 -4.685 12.947 -5.492 1.00 51.22 N ATOM 73 CD2 HIS A 5 -6.307 13.829 -4.334 1.00 52.42 C ATOM 74 CE1 HIS A 5 -4.737 12.307 -4.341 1.00 32.40 C ATOM 75 NE2 HIS A 5 -5.710 12.822 -3.619 1.00 53.32 N ATOM 0 H HIS A 5 -8.266 14.928 -6.002 1.00 33.03 H new ATOM 0 HA HIS A 5 -7.037 15.130 -8.471 1.00 63.31 H new ATOM 0 HB2 HIS A 5 -4.946 14.871 -7.272 1.00 65.22 H new ATOM 0 HB3 HIS A 5 -6.049 15.841 -6.317 1.00 65.22 H new ATOM 0 HD1 HIS A 5 -4.022 12.755 -6.243 1.00 51.22 H new ATOM 0 HD2 HIS A 5 -7.136 14.440 -4.009 1.00 52.42 H new ATOM 0 HE1 HIS A 5 -4.090 11.496 -4.041 1.00 32.40 H new ATOM 84 N HIS A 6 -7.436 12.039 -7.545 1.00 75.12 N ATOM 85 CA HIS A 6 -7.402 10.647 -8.016 1.00 34.43 C ATOM 86 C HIS A 6 -6.011 10.025 -7.841 1.00 23.31 C ATOM 87 O HIS A 6 -5.831 9.104 -7.040 1.00 54.44 O ATOM 88 CB HIS A 6 -7.849 10.568 -9.490 1.00 42.00 C ATOM 89 CG HIS A 6 -7.843 9.187 -10.070 1.00 13.52 C ATOM 90 ND1 HIS A 6 -8.978 8.417 -10.180 1.00 32.33 N ATOM 91 CD2 HIS A 6 -6.837 8.446 -10.597 1.00 12.01 C ATOM 92 CE1 HIS A 6 -8.673 7.266 -10.745 1.00 63.32 C ATOM 93 NE2 HIS A 6 -7.380 7.258 -11.009 1.00 73.40 N ATOM 0 H HIS A 6 -7.984 12.174 -6.695 1.00 75.12 H new ATOM 0 HA HIS A 6 -8.098 10.072 -7.405 1.00 34.43 H new ATOM 0 HB2 HIS A 6 -8.855 10.979 -9.573 1.00 42.00 H new ATOM 0 HB3 HIS A 6 -7.195 11.202 -10.089 1.00 42.00 H new ATOM 0 HD2 HIS A 6 -5.800 8.738 -10.677 1.00 12.01 H new ATOM 0 HE1 HIS A 6 -9.365 6.464 -10.956 1.00 63.32 H new ATOM 0 HE2 HIS A 6 -6.869 6.492 -11.448 1.00 73.40 H new ATOM 102 N HIS A 7 -5.044 10.531 -8.607 1.00 62.42 N ATOM 103 CA HIS A 7 -3.660 10.049 -8.578 1.00 65.13 C ATOM 104 C HIS A 7 -3.129 9.986 -7.143 1.00 32.10 C ATOM 105 O HIS A 7 -3.077 10.999 -6.445 1.00 12.14 O ATOM 106 CB HIS A 7 -2.783 10.980 -9.433 1.00 65.21 C ATOM 107 CG HIS A 7 -1.347 10.557 -9.569 1.00 32.15 C ATOM 108 ND1 HIS A 7 -0.808 10.107 -10.754 1.00 30.24 N ATOM 109 CD2 HIS A 7 -0.331 10.557 -8.675 1.00 1.33 C ATOM 110 CE1 HIS A 7 0.475 9.852 -10.583 1.00 0.14 C ATOM 111 NE2 HIS A 7 0.794 10.117 -9.330 1.00 45.42 N ATOM 0 H HIS A 7 -5.198 11.291 -9.269 1.00 62.42 H new ATOM 0 HA HIS A 7 -3.629 9.039 -8.987 1.00 65.13 H new ATOM 0 HB2 HIS A 7 -3.220 11.052 -10.429 1.00 65.21 H new ATOM 0 HB3 HIS A 7 -2.812 11.980 -8.999 1.00 65.21 H new ATOM 0 HD2 HIS A 7 -0.393 10.849 -7.637 1.00 1.33 H new ATOM 0 HE1 HIS A 7 1.151 9.487 -11.342 1.00 0.14 H new ATOM 0 HE2 HIS A 7 1.721 10.013 -8.917 1.00 45.42 H new ATOM 120 N HIS A 8 -2.743 8.792 -6.712 1.00 13.45 N ATOM 121 CA HIS A 8 -2.224 8.580 -5.363 1.00 23.23 C ATOM 122 C HIS A 8 -1.065 7.594 -5.400 1.00 74.33 C ATOM 123 O HIS A 8 -1.055 6.669 -6.213 1.00 52.42 O ATOM 124 CB HIS A 8 -3.335 8.057 -4.438 1.00 33.02 C ATOM 125 CG HIS A 8 -3.971 6.782 -4.913 1.00 23.32 C ATOM 126 ND1 HIS A 8 -5.133 6.756 -5.652 1.00 24.34 N ATOM 127 CD2 HIS A 8 -3.597 5.486 -4.765 1.00 53.33 C ATOM 128 CE1 HIS A 8 -5.444 5.507 -5.937 1.00 31.13 C ATOM 129 NE2 HIS A 8 -4.529 4.717 -5.412 1.00 15.55 N ATOM 0 H HIS A 8 -2.780 7.947 -7.282 1.00 13.45 H new ATOM 0 HA HIS A 8 -1.866 9.532 -4.972 1.00 23.23 H new ATOM 0 HB2 HIS A 8 -2.920 7.896 -3.443 1.00 33.02 H new ATOM 0 HB3 HIS A 8 -4.105 8.822 -4.342 1.00 33.02 H new ATOM 0 HD1 HIS A 8 -5.670 7.576 -5.935 1.00 24.34 H new ATOM 0 HD2 HIS A 8 -2.727 5.127 -4.236 1.00 53.33 H new ATOM 0 HE1 HIS A 8 -6.304 5.185 -6.505 1.00 31.13 H new ATOM 138 N MET A 9 -0.084 7.795 -4.526 1.00 13.43 N ATOM 139 CA MET A 9 1.047 6.880 -4.430 1.00 15.14 C ATOM 140 C MET A 9 0.585 5.548 -3.844 1.00 73.11 C ATOM 141 O MET A 9 0.341 5.438 -2.640 1.00 44.24 O ATOM 142 CB MET A 9 2.175 7.485 -3.576 1.00 12.04 C ATOM 143 CG MET A 9 3.405 6.593 -3.463 1.00 32.20 C ATOM 144 SD MET A 9 4.115 6.173 -5.070 1.00 63.45 S ATOM 145 CE MET A 9 5.506 5.155 -4.573 1.00 61.35 C ATOM 0 H MET A 9 -0.049 8.581 -3.876 1.00 13.43 H new ATOM 0 HA MET A 9 1.443 6.710 -5.431 1.00 15.14 H new ATOM 0 HB2 MET A 9 2.470 8.442 -4.006 1.00 12.04 H new ATOM 0 HB3 MET A 9 1.792 7.689 -2.576 1.00 12.04 H new ATOM 0 HG2 MET A 9 4.159 7.097 -2.858 1.00 32.20 H new ATOM 0 HG3 MET A 9 3.136 5.676 -2.939 1.00 32.20 H new ATOM 0 HE1 MET A 9 6.045 4.818 -5.458 1.00 61.35 H new ATOM 0 HE2 MET A 9 6.176 5.738 -3.940 1.00 61.35 H new ATOM 0 HE3 MET A 9 5.144 4.290 -4.018 1.00 61.35 H new ATOM 155 N GLY A 10 0.424 4.557 -4.712 1.00 21.04 N ATOM 156 CA GLY A 10 -0.009 3.239 -4.286 1.00 12.25 C ATOM 157 C GLY A 10 0.363 2.181 -5.303 1.00 70.45 C ATOM 158 O GLY A 10 -0.471 1.371 -5.712 1.00 34.22 O ATOM 0 H GLY A 10 0.588 4.644 -5.715 1.00 21.04 H new ATOM 0 HA2 GLY A 10 0.445 2.998 -3.325 1.00 12.25 H new ATOM 0 HA3 GLY A 10 -1.089 3.239 -4.137 1.00 12.25 H new ATOM 162 N THR A 11 1.619 2.208 -5.724 1.00 23.34 N ATOM 163 CA THR A 11 2.122 1.272 -6.714 1.00 5.34 C ATOM 164 C THR A 11 2.485 -0.056 -6.054 1.00 73.25 C ATOM 165 O THR A 11 3.556 -0.190 -5.455 1.00 41.22 O ATOM 166 CB THR A 11 3.355 1.858 -7.440 1.00 3.23 C ATOM 167 OG1 THR A 11 3.018 3.139 -7.999 1.00 31.45 O ATOM 168 CG2 THR A 11 3.844 0.920 -8.543 1.00 54.52 C ATOM 0 H THR A 11 2.314 2.876 -5.390 1.00 23.34 H new ATOM 0 HA THR A 11 1.336 1.097 -7.449 1.00 5.34 H new ATOM 0 HB THR A 11 4.160 1.973 -6.715 1.00 3.23 H new ATOM 0 HG1 THR A 11 3.800 3.512 -8.458 1.00 31.45 H new ATOM 0 HG21 THR A 11 4.712 1.359 -9.036 1.00 54.52 H new ATOM 0 HG22 THR A 11 4.121 -0.040 -8.108 1.00 54.52 H new ATOM 0 HG23 THR A 11 3.049 0.772 -9.273 1.00 54.52 H new ATOM 176 N LEU A 12 1.571 -1.015 -6.129 1.00 74.23 N ATOM 177 CA LEU A 12 1.784 -2.335 -5.545 1.00 43.44 C ATOM 178 C LEU A 12 2.267 -3.313 -6.614 1.00 71.21 C ATOM 179 O LEU A 12 1.806 -3.267 -7.756 1.00 3.42 O ATOM 180 CB LEU A 12 0.486 -2.844 -4.901 1.00 12.22 C ATOM 181 CG LEU A 12 -0.088 -1.945 -3.790 1.00 24.24 C ATOM 182 CD1 LEU A 12 -1.398 -2.519 -3.253 1.00 50.32 C ATOM 183 CD2 LEU A 12 0.930 -1.765 -2.663 1.00 34.25 C ATOM 0 H LEU A 12 0.669 -0.903 -6.592 1.00 74.23 H new ATOM 0 HA LEU A 12 2.549 -2.259 -4.773 1.00 43.44 H new ATOM 0 HB2 LEU A 12 -0.268 -2.958 -5.680 1.00 12.22 H new ATOM 0 HB3 LEU A 12 0.669 -3.835 -4.487 1.00 12.22 H new ATOM 0 HG LEU A 12 -0.299 -0.965 -4.217 1.00 24.24 H new ATOM 0 HD11 LEU A 12 -1.786 -1.868 -2.469 1.00 50.32 H new ATOM 0 HD12 LEU A 12 -2.125 -2.586 -4.062 1.00 50.32 H new ATOM 0 HD13 LEU A 12 -1.219 -3.513 -2.844 1.00 50.32 H new ATOM 0 HD21 LEU A 12 0.506 -1.127 -1.888 1.00 34.25 H new ATOM 0 HD22 LEU A 12 1.177 -2.737 -2.237 1.00 34.25 H new ATOM 0 HD23 LEU A 12 1.834 -1.302 -3.059 1.00 34.25 H new ATOM 195 N GLU A 13 3.206 -4.177 -6.240 1.00 14.14 N ATOM 196 CA GLU A 13 3.720 -5.200 -7.147 1.00 12.15 C ATOM 197 C GLU A 13 2.601 -6.164 -7.536 1.00 4.31 C ATOM 198 O GLU A 13 2.253 -6.284 -8.708 1.00 75.42 O ATOM 199 CB GLU A 13 4.884 -5.970 -6.500 1.00 73.01 C ATOM 200 CG GLU A 13 6.155 -5.143 -6.294 1.00 3.41 C ATOM 201 CD GLU A 13 5.948 -3.920 -5.413 1.00 32.20 C ATOM 202 OE1 GLU A 13 6.271 -2.798 -5.858 1.00 74.13 O ATOM 203 OE2 GLU A 13 5.454 -4.076 -4.277 1.00 51.23 O1- ATOM 0 H GLU A 13 3.628 -4.189 -5.312 1.00 14.14 H new ATOM 0 HA GLU A 13 4.094 -4.708 -8.045 1.00 12.15 H new ATOM 0 HB2 GLU A 13 4.556 -6.355 -5.535 1.00 73.01 H new ATOM 0 HB3 GLU A 13 5.123 -6.832 -7.123 1.00 73.01 H new ATOM 0 HG2 GLU A 13 6.922 -5.776 -5.848 1.00 3.41 H new ATOM 0 HG3 GLU A 13 6.531 -4.822 -7.265 1.00 3.41 H new ATOM 210 N ALA A 14 2.050 -6.852 -6.533 1.00 44.53 N ATOM 211 CA ALA A 14 0.907 -7.753 -6.722 1.00 21.22 C ATOM 212 C ALA A 14 1.231 -8.920 -7.661 1.00 50.53 C ATOM 213 O ALA A 14 0.349 -9.703 -8.017 1.00 52.13 O ATOM 214 CB ALA A 14 -0.302 -6.969 -7.230 1.00 0.11 C ATOM 0 H ALA A 14 2.381 -6.802 -5.570 1.00 44.53 H new ATOM 0 HA ALA A 14 0.670 -8.188 -5.751 1.00 21.22 H new ATOM 0 HB1 ALA A 14 -1.144 -7.647 -7.367 1.00 0.11 H new ATOM 0 HB2 ALA A 14 -0.569 -6.201 -6.504 1.00 0.11 H new ATOM 0 HB3 ALA A 14 -0.057 -6.499 -8.182 1.00 0.11 H new ATOM 220 N GLN A 15 2.498 -9.045 -8.047 1.00 4.44 N ATOM 221 CA GLN A 15 2.927 -10.116 -8.939 1.00 35.21 C ATOM 222 C GLN A 15 3.195 -11.379 -8.120 1.00 15.42 C ATOM 223 O GLN A 15 4.305 -11.593 -7.626 1.00 13.51 O ATOM 224 CB GLN A 15 4.174 -9.679 -9.733 1.00 23.33 C ATOM 225 CG GLN A 15 4.496 -10.528 -10.969 1.00 20.14 C ATOM 226 CD GLN A 15 5.103 -11.884 -10.637 1.00 2.31 C ATOM 227 OE1 GLN A 15 4.393 -12.876 -10.466 1.00 15.13 O ATOM 228 NE2 GLN A 15 6.424 -11.940 -10.554 1.00 70.34 N ATOM 0 H GLN A 15 3.246 -8.416 -7.755 1.00 4.44 H new ATOM 0 HA GLN A 15 2.140 -10.335 -9.660 1.00 35.21 H new ATOM 0 HB2 GLN A 15 4.039 -8.644 -10.049 1.00 23.33 H new ATOM 0 HB3 GLN A 15 5.035 -9.699 -9.065 1.00 23.33 H new ATOM 0 HG2 GLN A 15 3.582 -10.679 -11.543 1.00 20.14 H new ATOM 0 HG3 GLN A 15 5.186 -9.977 -11.608 1.00 20.14 H new ATOM 0 HE21 GLN A 15 6.980 -11.098 -10.702 1.00 70.34 H new ATOM 0 HE22 GLN A 15 6.885 -12.825 -10.342 1.00 70.34 H new ATOM 237 N THR A 16 2.152 -12.182 -7.940 1.00 54.35 N ATOM 238 CA THR A 16 2.236 -13.419 -7.168 1.00 70.15 C ATOM 239 C THR A 16 1.758 -14.615 -7.995 1.00 32.44 C ATOM 240 O THR A 16 0.884 -14.471 -8.856 1.00 63.23 O ATOM 241 CB THR A 16 1.393 -13.312 -5.873 1.00 55.41 C ATOM 242 OG1 THR A 16 0.093 -12.784 -6.180 1.00 33.34 O ATOM 243 CG2 THR A 16 2.072 -12.417 -4.839 1.00 42.31 C ATOM 0 H THR A 16 1.226 -11.995 -8.324 1.00 54.35 H new ATOM 0 HA THR A 16 3.282 -13.573 -6.902 1.00 70.15 H new ATOM 0 HB THR A 16 1.298 -14.313 -5.452 1.00 55.41 H new ATOM 0 HG1 THR A 16 -0.437 -12.720 -5.358 1.00 33.34 H new ATOM 0 HG21 THR A 16 1.454 -12.363 -3.943 1.00 42.31 H new ATOM 0 HG22 THR A 16 3.047 -12.831 -4.583 1.00 42.31 H new ATOM 0 HG23 THR A 16 2.200 -11.416 -5.252 1.00 42.31 H new ATOM 251 N GLN A 17 2.338 -15.786 -7.738 1.00 5.12 N ATOM 252 CA GLN A 17 1.969 -17.003 -8.456 1.00 31.24 C ATOM 253 C GLN A 17 0.560 -17.461 -8.064 1.00 21.02 C ATOM 254 O GLN A 17 0.365 -18.078 -7.014 1.00 15.31 O ATOM 255 CB GLN A 17 2.989 -18.120 -8.180 1.00 44.40 C ATOM 256 CG GLN A 17 2.665 -19.438 -8.883 1.00 20.35 C ATOM 257 CD GLN A 17 3.693 -20.526 -8.617 1.00 71.40 C ATOM 258 OE1 GLN A 17 4.876 -20.250 -8.415 1.00 24.53 O ATOM 259 NE2 GLN A 17 3.252 -21.776 -8.626 1.00 70.42 N ATOM 0 H GLN A 17 3.067 -15.917 -7.036 1.00 5.12 H new ATOM 0 HA GLN A 17 1.973 -16.782 -9.523 1.00 31.24 H new ATOM 0 HB2 GLN A 17 3.977 -17.784 -8.496 1.00 44.40 H new ATOM 0 HB3 GLN A 17 3.040 -18.295 -7.105 1.00 44.40 H new ATOM 0 HG2 GLN A 17 1.685 -19.785 -8.556 1.00 20.35 H new ATOM 0 HG3 GLN A 17 2.600 -19.263 -9.957 1.00 20.35 H new ATOM 0 HE21 GLN A 17 2.265 -21.967 -8.797 1.00 70.42 H new ATOM 0 HE22 GLN A 17 3.900 -22.547 -8.462 1.00 70.42 H new ATOM 268 N GLY A 18 -0.413 -17.126 -8.903 1.00 22.20 N ATOM 269 CA GLY A 18 -1.780 -17.568 -8.687 1.00 74.21 C ATOM 270 C GLY A 18 -2.067 -18.869 -9.413 1.00 24.32 C ATOM 271 O GLY A 18 -1.614 -19.051 -10.546 1.00 62.33 O ATOM 0 H GLY A 18 -0.279 -16.552 -9.735 1.00 22.20 H new ATOM 0 HA2 GLY A 18 -1.956 -17.700 -7.619 1.00 74.21 H new ATOM 0 HA3 GLY A 18 -2.471 -16.798 -9.031 1.00 74.21 H new ATOM 275 N PRO A 19 -2.810 -19.800 -8.787 1.00 54.21 N ATOM 276 CA PRO A 19 -3.131 -21.096 -9.398 1.00 75.33 C ATOM 277 C PRO A 19 -4.204 -20.972 -10.483 1.00 4.25 C ATOM 278 O PRO A 19 -4.693 -19.876 -10.769 1.00 21.34 O ATOM 279 CB PRO A 19 -3.639 -21.922 -8.208 1.00 30.43 C ATOM 280 CG PRO A 19 -4.234 -20.915 -7.283 1.00 41.32 C ATOM 281 CD PRO A 19 -3.402 -19.663 -7.438 1.00 21.44 C ATOM 0 HA PRO A 19 -2.276 -21.543 -9.905 1.00 75.33 H new ATOM 0 HB2 PRO A 19 -4.379 -22.658 -8.523 1.00 30.43 H new ATOM 0 HB3 PRO A 19 -2.827 -22.470 -7.730 1.00 30.43 H new ATOM 0 HG2 PRO A 19 -5.277 -20.723 -7.534 1.00 41.32 H new ATOM 0 HG3 PRO A 19 -4.214 -21.272 -6.253 1.00 41.32 H new ATOM 0 HD2 PRO A 19 -4.013 -18.764 -7.358 1.00 21.44 H new ATOM 0 HD3 PRO A 19 -2.633 -19.595 -6.668 1.00 21.44 H new ATOM 289 N GLY A 20 -4.570 -22.101 -11.080 1.00 0.13 N ATOM 290 CA GLY A 20 -5.587 -22.107 -12.116 1.00 11.40 C ATOM 291 C GLY A 20 -6.386 -23.391 -12.103 1.00 30.41 C ATOM 292 O GLY A 20 -6.409 -24.093 -11.090 1.00 31.00 O ATOM 0 H GLY A 20 -4.178 -23.017 -10.863 1.00 0.13 H new ATOM 0 HA2 GLY A 20 -6.257 -21.259 -11.974 1.00 11.40 H new ATOM 0 HA3 GLY A 20 -5.115 -21.981 -13.091 1.00 11.40 H new ATOM 296 N SER A 21 -7.040 -23.697 -13.220 1.00 65.42 N ATOM 297 CA SER A 21 -7.818 -24.922 -13.346 1.00 70.35 C ATOM 298 C SER A 21 -6.890 -26.130 -13.233 1.00 61.03 C ATOM 299 O SER A 21 -6.209 -26.493 -14.196 1.00 35.42 O ATOM 300 CB SER A 21 -8.572 -24.943 -14.691 1.00 2.21 C ATOM 301 OG SER A 21 -9.451 -26.054 -14.785 1.00 14.23 O ATOM 0 H SER A 21 -7.045 -23.109 -14.054 1.00 65.42 H new ATOM 0 HA SER A 21 -8.554 -24.963 -12.543 1.00 70.35 H new ATOM 0 HB2 SER A 21 -9.140 -24.020 -14.804 1.00 2.21 H new ATOM 0 HB3 SER A 21 -7.854 -24.977 -15.510 1.00 2.21 H new ATOM 0 HG SER A 21 -10.129 -25.878 -15.471 1.00 14.23 H new ATOM 307 N MET A 22 -6.830 -26.708 -12.035 1.00 71.32 N ATOM 308 CA MET A 22 -5.994 -27.881 -11.781 1.00 14.44 C ATOM 309 C MET A 22 -6.738 -29.165 -12.126 1.00 34.21 C ATOM 310 O MET A 22 -6.128 -30.226 -12.276 1.00 25.22 O ATOM 311 CB MET A 22 -5.529 -27.914 -10.316 1.00 32.01 C ATOM 312 CG MET A 22 -4.475 -26.867 -9.982 1.00 64.35 C ATOM 313 SD MET A 22 -2.995 -27.021 -11.007 1.00 62.34 S ATOM 314 CE MET A 22 -2.507 -28.719 -10.685 1.00 41.55 C ATOM 0 H MET A 22 -7.352 -26.382 -11.222 1.00 71.32 H new ATOM 0 HA MET A 22 -5.115 -27.809 -12.422 1.00 14.44 H new ATOM 0 HB2 MET A 22 -6.392 -27.767 -9.667 1.00 32.01 H new ATOM 0 HB3 MET A 22 -5.128 -28.903 -10.094 1.00 32.01 H new ATOM 0 HG2 MET A 22 -4.902 -25.873 -10.113 1.00 64.35 H new ATOM 0 HG3 MET A 22 -4.197 -26.959 -8.932 1.00 64.35 H new ATOM 0 HE1 MET A 22 -1.425 -28.770 -10.563 1.00 41.55 H new ATOM 0 HE2 MET A 22 -2.992 -29.070 -9.774 1.00 41.55 H new ATOM 0 HE3 MET A 22 -2.807 -29.349 -11.522 1.00 41.55 H new ATOM 324 N ILE A 23 -8.058 -29.069 -12.241 1.00 11.52 N ATOM 325 CA ILE A 23 -8.876 -30.214 -12.611 1.00 62.20 C ATOM 326 C ILE A 23 -8.969 -30.295 -14.131 1.00 11.52 C ATOM 327 O ILE A 23 -9.729 -29.548 -14.756 1.00 51.53 O ATOM 328 CB ILE A 23 -10.302 -30.120 -12.006 1.00 4.53 C ATOM 329 CG1 ILE A 23 -10.237 -29.768 -10.506 1.00 14.53 C ATOM 330 CG2 ILE A 23 -11.057 -31.430 -12.220 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.462 -30.767 -9.667 1.00 12.43 C ATOM 0 H ILE A 23 -8.583 -28.209 -12.083 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.404 -31.112 -12.212 1.00 62.20 H new ATOM 0 HB ILE A 23 -10.841 -29.323 -12.517 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -9.780 -28.785 -10.394 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -11.253 -29.694 -10.117 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -12.055 -31.349 -11.790 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -11.137 -31.634 -13.288 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -10.518 -32.244 -11.735 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -9.464 -30.446 -8.625 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -9.930 -31.748 -9.745 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.435 -30.825 -10.027 1.00 12.43 H new ATOM 343 N GLU A 24 -8.180 -31.188 -14.723 1.00 63.12 N ATOM 344 CA GLU A 24 -8.097 -31.298 -16.174 1.00 10.03 C ATOM 345 C GLU A 24 -9.440 -31.739 -16.756 1.00 51.50 C ATOM 346 O GLU A 24 -9.979 -32.789 -16.399 1.00 10.23 O ATOM 347 CB GLU A 24 -6.985 -32.275 -16.578 1.00 41.42 C ATOM 348 CG GLU A 24 -6.795 -32.415 -18.089 1.00 40.21 C ATOM 349 CD GLU A 24 -6.291 -31.140 -18.751 1.00 32.25 C ATOM 350 OE1 GLU A 24 -7.116 -30.255 -19.064 1.00 35.10 O ATOM 351 OE2 GLU A 24 -5.067 -31.025 -18.980 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.588 -31.847 -14.217 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.854 -30.316 -16.580 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -6.046 -31.944 -16.134 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -7.208 -33.256 -16.158 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -6.090 -33.222 -18.287 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -7.744 -32.702 -18.543 1.00 40.21 H new ATOM 358 N GLN A 25 -9.970 -30.926 -17.656 1.00 3.42 N ATOM 359 CA GLN A 25 -11.278 -31.169 -18.257 1.00 70.21 C ATOM 360 C GLN A 25 -11.115 -31.780 -19.646 1.00 62.55 C ATOM 361 O GLN A 25 -10.666 -31.117 -20.585 1.00 71.41 O ATOM 362 CB GLN A 25 -12.089 -29.861 -18.302 1.00 35.52 C ATOM 363 CG GLN A 25 -11.334 -28.672 -18.894 1.00 35.52 C ATOM 364 CD GLN A 25 -11.987 -27.344 -18.560 1.00 34.41 C ATOM 365 OE1 GLN A 25 -12.833 -26.841 -19.301 1.00 41.35 O ATOM 366 NE2 GLN A 25 -11.602 -26.767 -17.432 1.00 13.53 N ATOM 0 H GLN A 25 -9.509 -30.080 -17.992 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.830 -31.883 -17.645 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.994 -30.029 -18.886 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.405 -29.608 -17.290 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -10.310 -28.674 -18.521 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -11.279 -28.784 -19.977 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -10.898 -27.215 -16.844 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -12.009 -25.875 -17.151 1.00 13.53 H new ATOM 375 N ILE A 26 -11.468 -33.053 -19.760 1.00 73.45 N ATOM 376 CA ILE A 26 -11.253 -33.813 -20.983 1.00 30.23 C ATOM 377 C ILE A 26 -12.573 -34.321 -21.559 1.00 44.22 C ATOM 378 O ILE A 26 -13.612 -34.283 -20.892 1.00 73.54 O ATOM 379 CB ILE A 26 -10.309 -35.017 -20.726 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.913 -35.972 -19.674 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.931 -34.527 -20.286 1.00 54.44 C ATOM 382 CD1 ILE A 26 -10.066 -37.201 -19.394 1.00 35.42 C ATOM 0 H ILE A 26 -11.910 -33.586 -19.011 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.790 -33.140 -21.704 1.00 30.23 H new ATOM 0 HB ILE A 26 -10.196 -35.571 -21.658 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -11.059 -35.424 -18.743 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -11.898 -36.292 -20.013 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -8.280 -35.383 -20.109 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -8.502 -33.899 -21.067 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -9.027 -33.948 -19.367 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -10.559 -37.820 -18.645 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -9.941 -37.774 -20.313 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -9.089 -36.892 -19.023 1.00 35.42 H new ATOM 394 N GLY A 27 -12.518 -34.785 -22.803 1.00 62.23 N ATOM 395 CA GLY A 27 -13.686 -35.340 -23.457 1.00 35.05 C ATOM 396 C GLY A 27 -13.754 -36.847 -23.320 1.00 75.43 C ATOM 397 O GLY A 27 -13.137 -37.427 -22.423 1.00 55.43 O ATOM 0 H GLY A 27 -11.673 -34.785 -23.375 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -14.585 -34.897 -23.029 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -13.670 -35.073 -24.514 1.00 35.05 H new ATOM 401 N ASP A 28 -14.498 -37.480 -24.217 1.00 55.22 N ATOM 402 CA ASP A 28 -14.728 -38.924 -24.172 1.00 30.13 C ATOM 403 C ASP A 28 -13.452 -39.707 -24.493 1.00 31.43 C ATOM 404 O ASP A 28 -13.043 -40.591 -23.740 1.00 52.43 O ATOM 405 CB ASP A 28 -15.842 -39.305 -25.161 1.00 2.44 C ATOM 406 CG ASP A 28 -16.308 -40.749 -25.012 1.00 31.34 C ATOM 407 OD1 ASP A 28 -17.244 -41.000 -24.219 1.00 33.35 O ATOM 408 OD2 ASP A 28 -15.750 -41.641 -25.689 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.960 -37.011 -24.996 1.00 55.22 H new ATOM 0 HA ASP A 28 -15.033 -39.185 -23.159 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -16.692 -38.639 -25.015 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -15.485 -39.148 -26.179 1.00 2.44 H new ATOM 413 N SER A 29 -12.816 -39.352 -25.608 1.00 43.14 N ATOM 414 CA SER A 29 -11.678 -40.109 -26.133 1.00 21.41 C ATOM 415 C SER A 29 -10.443 -39.965 -25.239 1.00 74.42 C ATOM 416 O SER A 29 -9.681 -40.919 -25.051 1.00 31.25 O ATOM 417 CB SER A 29 -11.356 -39.646 -27.563 1.00 13.32 C ATOM 418 OG SER A 29 -10.344 -40.449 -28.157 1.00 44.32 O ATOM 0 H SER A 29 -13.071 -38.539 -26.169 1.00 43.14 H new ATOM 0 HA SER A 29 -11.954 -41.163 -26.147 1.00 21.41 H new ATOM 0 HB2 SER A 29 -12.259 -39.688 -28.172 1.00 13.32 H new ATOM 0 HB3 SER A 29 -11.032 -38.605 -27.545 1.00 13.32 H new ATOM 0 HG SER A 29 -10.164 -40.129 -29.066 1.00 44.32 H new ATOM 424 N GLU A 30 -10.256 -38.774 -24.683 1.00 44.24 N ATOM 425 CA GLU A 30 -9.068 -38.472 -23.886 1.00 41.13 C ATOM 426 C GLU A 30 -9.011 -39.305 -22.607 1.00 44.35 C ATOM 427 O GLU A 30 -7.960 -39.384 -21.971 1.00 55.03 O ATOM 428 CB GLU A 30 -9.000 -36.979 -23.527 1.00 34.32 C ATOM 429 CG GLU A 30 -8.888 -36.038 -24.725 1.00 30.32 C ATOM 430 CD GLU A 30 -10.237 -35.648 -25.310 1.00 70.04 C ATOM 431 OE1 GLU A 30 -10.708 -34.527 -25.020 1.00 75.54 O ATOM 432 OE2 GLU A 30 -10.832 -36.455 -26.055 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.913 -37.998 -24.768 1.00 44.24 H new ATOM 0 HA GLU A 30 -8.208 -38.730 -24.504 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -9.891 -36.715 -22.958 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -8.144 -36.815 -22.873 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -8.357 -35.136 -24.422 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -8.288 -36.516 -25.499 1.00 30.32 H new ATOM 439 N PHE A 31 -10.130 -39.924 -22.237 1.00 52.35 N ATOM 440 CA PHE A 31 -10.200 -40.720 -21.013 1.00 4.33 C ATOM 441 C PHE A 31 -9.065 -41.745 -20.962 1.00 54.44 C ATOM 442 O PHE A 31 -8.213 -41.697 -20.073 1.00 42.52 O ATOM 443 CB PHE A 31 -11.561 -41.423 -20.900 1.00 52.22 C ATOM 444 CG PHE A 31 -11.702 -42.292 -19.670 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.724 -43.677 -19.773 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.804 -41.720 -18.408 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.845 -44.470 -18.648 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.927 -42.510 -17.280 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.947 -43.886 -17.400 1.00 11.43 C ATOM 0 H PHE A 31 -11.001 -39.890 -22.767 1.00 52.35 H new ATOM 0 HA PHE A 31 -10.088 -40.044 -20.166 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -12.349 -40.669 -20.893 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.716 -42.038 -21.787 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.645 -44.140 -20.745 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.787 -40.645 -18.307 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.860 -45.546 -18.744 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -12.007 -42.051 -16.305 1.00 65.25 H new ATOM 0 HZ PHE A 31 -12.042 -44.504 -16.520 1.00 11.43 H new ATOM 459 N ASP A 32 -9.044 -42.651 -21.939 1.00 24.45 N ATOM 460 CA ASP A 32 -8.034 -43.708 -21.989 1.00 14.44 C ATOM 461 C ASP A 32 -6.632 -43.104 -22.001 1.00 54.45 C ATOM 462 O ASP A 32 -5.750 -43.541 -21.264 1.00 73.42 O ATOM 463 CB ASP A 32 -8.238 -44.589 -23.230 1.00 2.53 C ATOM 464 CG ASP A 32 -7.253 -45.751 -23.297 1.00 22.33 C ATOM 465 OD1 ASP A 32 -6.177 -45.596 -23.916 1.00 54.10 O ATOM 466 OD2 ASP A 32 -7.559 -46.833 -22.747 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.715 -42.674 -22.707 1.00 24.45 H new ATOM 0 HA ASP A 32 -8.142 -44.328 -21.099 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -9.255 -44.980 -23.229 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.133 -43.977 -24.126 1.00 2.53 H new ATOM 471 N ASN A 33 -6.453 -42.074 -22.823 1.00 43.22 N ATOM 472 CA ASN A 33 -5.165 -41.394 -22.959 1.00 4.32 C ATOM 473 C ASN A 33 -4.645 -40.944 -21.592 1.00 12.24 C ATOM 474 O ASN A 33 -3.571 -41.363 -21.132 1.00 43.20 O ATOM 475 CB ASN A 33 -5.321 -40.167 -23.874 1.00 4.00 C ATOM 476 CG ASN A 33 -4.022 -39.392 -24.049 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.715 -38.490 -23.268 1.00 34.52 O ATOM 478 ND2 ASN A 33 -3.261 -39.724 -25.078 1.00 23.04 N ATOM 0 H ASN A 33 -7.191 -41.687 -23.411 1.00 43.22 H new ATOM 0 HA ASN A 33 -4.450 -42.092 -23.395 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.680 -40.491 -24.851 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -6.081 -39.505 -23.459 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -2.386 -39.227 -25.247 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -3.549 -40.477 -25.703 1.00 23.04 H new ATOM 485 N LYS A 34 -5.454 -40.139 -20.921 1.00 32.10 N ATOM 486 CA LYS A 34 -5.066 -39.516 -19.665 1.00 63.34 C ATOM 487 C LYS A 34 -4.846 -40.556 -18.575 1.00 13.43 C ATOM 488 O LYS A 34 -3.922 -40.434 -17.772 1.00 20.22 O ATOM 489 CB LYS A 34 -6.127 -38.495 -19.241 1.00 42.13 C ATOM 490 CG LYS A 34 -6.271 -37.328 -20.216 1.00 54.23 C ATOM 491 CD LYS A 34 -4.964 -36.548 -20.363 1.00 2.25 C ATOM 492 CE LYS A 34 -5.123 -35.325 -21.259 1.00 10.31 C ATOM 493 NZ LYS A 34 -3.844 -34.585 -21.405 1.00 61.25 N1+ ATOM 0 H LYS A 34 -6.396 -39.899 -21.231 1.00 32.10 H new ATOM 0 HA LYS A 34 -4.119 -38.998 -19.815 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -7.088 -39.000 -19.146 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.872 -38.106 -18.255 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -6.581 -37.705 -21.191 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -7.057 -36.658 -19.868 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -4.618 -36.233 -19.379 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -4.197 -37.202 -20.776 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -5.478 -35.637 -22.241 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -5.881 -34.663 -20.841 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -3.989 -33.759 -22.021 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -3.518 -34.267 -20.470 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -3.128 -35.210 -21.827 1.00 61.25 H new ATOM 507 N VAL A 35 -5.681 -41.587 -18.565 1.00 1.14 N ATOM 508 CA VAL A 35 -5.562 -42.655 -17.580 1.00 22.00 C ATOM 509 C VAL A 35 -4.317 -43.511 -17.851 1.00 74.14 C ATOM 510 O VAL A 35 -3.650 -43.959 -16.920 1.00 12.35 O ATOM 511 CB VAL A 35 -6.835 -43.543 -17.552 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.678 -44.706 -16.569 1.00 55.41 C ATOM 513 CG2 VAL A 35 -8.066 -42.702 -17.199 1.00 4.12 C ATOM 0 H VAL A 35 -6.448 -41.707 -19.227 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.456 -42.189 -16.600 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.974 -43.964 -18.548 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.586 -45.310 -16.572 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.831 -45.323 -16.868 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.506 -44.314 -15.566 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.950 -43.340 -17.184 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.928 -42.249 -16.217 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -8.197 -41.918 -17.945 1.00 4.12 H new ATOM 523 N THR A 36 -3.987 -43.711 -19.126 1.00 14.23 N ATOM 524 CA THR A 36 -2.804 -44.493 -19.496 1.00 5.43 C ATOM 525 C THR A 36 -1.534 -43.641 -19.422 1.00 53.41 C ATOM 526 O THR A 36 -0.420 -44.171 -19.425 1.00 51.32 O ATOM 527 CB THR A 36 -2.940 -45.101 -20.911 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.162 -44.065 -21.878 1.00 35.24 O ATOM 529 CG2 THR A 36 -4.086 -46.103 -20.966 1.00 31.14 C ATOM 0 H THR A 36 -4.517 -43.346 -19.917 1.00 14.23 H new ATOM 0 HA THR A 36 -2.727 -45.309 -18.777 1.00 5.43 H new ATOM 0 HB THR A 36 -2.010 -45.620 -21.144 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.104 -43.796 -21.858 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.160 -46.516 -21.972 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.899 -46.909 -20.256 1.00 31.14 H new ATOM 0 HG23 THR A 36 -5.020 -45.602 -20.710 1.00 31.14 H new ATOM 537 N SER A 37 -1.712 -42.321 -19.355 1.00 74.54 N ATOM 538 CA SER A 37 -0.595 -41.381 -19.213 1.00 42.32 C ATOM 539 C SER A 37 0.124 -41.530 -17.855 1.00 73.45 C ATOM 540 O SER A 37 1.060 -40.781 -17.560 1.00 65.42 O ATOM 541 CB SER A 37 -1.111 -39.944 -19.384 1.00 1.24 C ATOM 542 OG SER A 37 -0.050 -39.001 -19.409 1.00 11.40 O ATOM 0 H SER A 37 -2.628 -41.874 -19.397 1.00 74.54 H new ATOM 0 HA SER A 37 0.135 -41.610 -19.989 1.00 42.32 H new ATOM 0 HB2 SER A 37 -1.683 -39.871 -20.309 1.00 1.24 H new ATOM 0 HB3 SER A 37 -1.792 -39.703 -18.568 1.00 1.24 H new ATOM 0 HG SER A 37 0.711 -39.352 -18.901 1.00 11.40 H new ATOM 548 N CYS A 38 -0.310 -42.493 -17.036 1.00 31.04 N ATOM 549 CA CYS A 38 0.310 -42.752 -15.734 1.00 10.42 C ATOM 550 C CYS A 38 1.787 -43.138 -15.867 1.00 51.55 C ATOM 551 O CYS A 38 2.285 -43.397 -16.965 1.00 23.12 O ATOM 552 CB CYS A 38 -0.427 -43.883 -15.004 1.00 55.23 C ATOM 553 SG CYS A 38 -2.116 -43.492 -14.503 1.00 22.33 S ATOM 0 H CYS A 38 -1.093 -43.109 -17.254 1.00 31.04 H new ATOM 0 HA CYS A 38 0.241 -41.826 -15.164 1.00 10.42 H new ATOM 0 HB2 CYS A 38 -0.450 -44.759 -15.652 1.00 55.23 H new ATOM 0 HB3 CYS A 38 0.145 -44.157 -14.117 1.00 55.23 H new ATOM 0 HG CYS A 38 -2.948 -43.935 -15.398 1.00 22.33 H new ATOM 559 N ASN A 39 2.474 -43.173 -14.725 1.00 72.42 N ATOM 560 CA ASN A 39 3.835 -43.696 -14.644 1.00 15.33 C ATOM 561 C ASN A 39 3.900 -44.759 -13.542 1.00 11.44 C ATOM 562 O ASN A 39 3.813 -45.952 -13.820 1.00 34.54 O ATOM 563 CB ASN A 39 4.845 -42.572 -14.372 1.00 42.12 C ATOM 564 CG ASN A 39 6.273 -43.089 -14.278 1.00 14.24 C ATOM 565 OD1 ASN A 39 6.728 -43.502 -13.208 1.00 23.53 O ATOM 566 ND2 ASN A 39 6.988 -43.076 -15.392 1.00 10.15 N ATOM 0 H ASN A 39 2.103 -42.841 -13.835 1.00 72.42 H new ATOM 0 HA ASN A 39 4.099 -44.147 -15.601 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.781 -41.829 -15.167 1.00 42.12 H new ATOM 0 HB3 ASN A 39 4.582 -42.067 -13.443 1.00 42.12 H new ATOM 0 HD21 ASN A 39 7.950 -43.415 -15.385 1.00 10.15 H new ATOM 0 HD22 ASN A 39 6.577 -42.727 -16.258 1.00 10.15 H new ATOM 573 N ASP A 40 4.038 -44.322 -12.289 1.00 2.41 N ATOM 574 CA ASP A 40 3.975 -45.234 -11.144 1.00 42.21 C ATOM 575 C ASP A 40 3.718 -44.434 -9.871 1.00 11.11 C ATOM 576 O ASP A 40 4.293 -43.362 -9.694 1.00 52.12 O ATOM 577 CB ASP A 40 5.271 -46.045 -11.014 1.00 54.20 C ATOM 578 CG ASP A 40 5.094 -47.282 -10.144 1.00 63.42 C ATOM 579 OD1 ASP A 40 4.728 -48.345 -10.691 1.00 24.22 O ATOM 580 OD2 ASP A 40 5.317 -47.202 -8.924 1.00 1.42 O1- ATOM 0 H ASP A 40 4.194 -43.345 -12.041 1.00 2.41 H new ATOM 0 HA ASP A 40 3.157 -45.937 -11.301 1.00 42.21 H new ATOM 0 HB2 ASP A 40 5.609 -46.346 -12.005 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.051 -45.413 -10.589 1.00 54.20 H new ATOM 585 N ASN A 41 2.841 -44.946 -9.002 1.00 20.22 N ATOM 586 CA ASN A 41 2.413 -44.228 -7.788 1.00 43.41 C ATOM 587 C ASN A 41 1.705 -42.917 -8.135 1.00 72.45 C ATOM 588 O ASN A 41 1.441 -42.095 -7.258 1.00 25.45 O ATOM 589 CB ASN A 41 3.595 -43.954 -6.838 1.00 53.22 C ATOM 590 CG ASN A 41 3.979 -45.161 -5.996 1.00 43.00 C ATOM 591 OD1 ASN A 41 3.805 -46.310 -6.406 1.00 12.13 O ATOM 592 ND2 ASN A 41 4.492 -44.906 -4.801 1.00 51.54 N ATOM 0 H ASN A 41 2.408 -45.863 -9.115 1.00 20.22 H new ATOM 0 HA ASN A 41 1.707 -44.879 -7.272 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.458 -43.638 -7.424 1.00 53.22 H new ATOM 0 HB3 ASN A 41 3.338 -43.126 -6.178 1.00 53.22 H new ATOM 0 HD21 ASN A 41 4.758 -45.675 -4.186 1.00 51.54 H new ATOM 0 HD22 ASN A 41 4.621 -43.941 -4.497 1.00 51.54 H new ATOM 599 N ILE A 42 1.394 -42.733 -9.416 1.00 4.44 N ATOM 600 CA ILE A 42 0.656 -41.565 -9.871 1.00 53.42 C ATOM 601 C ILE A 42 -0.837 -41.837 -9.753 1.00 61.41 C ATOM 602 O ILE A 42 -1.387 -42.653 -10.500 1.00 70.51 O ATOM 603 CB ILE A 42 1.000 -41.205 -11.342 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.504 -40.919 -11.499 1.00 24.42 C ATOM 605 CG2 ILE A 42 0.172 -40.009 -11.819 1.00 31.35 C ATOM 606 CD1 ILE A 42 3.004 -39.753 -10.669 1.00 11.11 C ATOM 0 H ILE A 42 1.645 -43.385 -10.159 1.00 4.44 H new ATOM 0 HA ILE A 42 0.940 -40.720 -9.244 1.00 53.42 H new ATOM 0 HB ILE A 42 0.749 -42.063 -11.965 1.00 60.24 H new ATOM 0 HG12 ILE A 42 3.063 -41.813 -11.223 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.717 -40.721 -12.549 1.00 24.42 H new ATOM 0 HG21 ILE A 42 0.431 -39.776 -12.852 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -0.889 -40.253 -11.757 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.383 -39.145 -11.188 1.00 31.35 H new ATOM 0 HD11 ILE A 42 4.073 -39.618 -10.837 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.474 -38.846 -10.959 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.825 -39.955 -9.613 1.00 11.11 H new ATOM 618 N LEU A 43 -1.475 -41.188 -8.789 1.00 61.41 N ATOM 619 CA LEU A 43 -2.905 -41.349 -8.573 1.00 72.33 C ATOM 620 C LEU A 43 -3.697 -40.441 -9.508 1.00 70.42 C ATOM 621 O LEU A 43 -3.531 -39.217 -9.503 1.00 24.44 O ATOM 622 CB LEU A 43 -3.284 -41.046 -7.118 1.00 53.01 C ATOM 623 CG LEU A 43 -4.789 -41.138 -6.810 1.00 15.11 C ATOM 624 CD1 LEU A 43 -5.311 -42.560 -7.020 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.082 -40.646 -5.397 1.00 60.11 C ATOM 0 H LEU A 43 -1.022 -40.543 -8.142 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.154 -42.388 -8.788 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.751 -41.739 -6.467 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -2.937 -40.043 -6.868 1.00 53.01 H new ATOM 0 HG LEU A 43 -5.316 -40.489 -7.509 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -6.377 -42.593 -6.795 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -5.150 -42.857 -8.056 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.779 -43.244 -6.359 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -6.152 -40.720 -5.201 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -4.538 -41.259 -4.678 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -4.766 -39.607 -5.301 1.00 60.11 H new ATOM 637 N ILE A 44 -4.550 -41.053 -10.310 1.00 53.43 N ATOM 638 CA ILE A 44 -5.442 -40.329 -11.197 1.00 3.43 C ATOM 639 C ILE A 44 -6.865 -40.371 -10.656 1.00 52.32 C ATOM 640 O ILE A 44 -7.444 -41.445 -10.484 1.00 63.21 O ATOM 641 CB ILE A 44 -5.402 -40.908 -12.634 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.056 -40.568 -13.295 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.575 -40.394 -13.469 1.00 35.25 C ATOM 644 CD1 ILE A 44 -3.953 -40.992 -14.744 1.00 52.24 C ATOM 0 H ILE A 44 -4.644 -42.067 -10.364 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.104 -39.294 -11.242 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.498 -41.992 -12.577 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.893 -39.492 -13.230 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.255 -41.046 -12.730 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.521 -40.817 -14.472 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.513 -40.691 -13.000 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.529 -39.307 -13.531 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -2.974 -40.716 -15.135 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.082 -42.072 -14.817 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.729 -40.494 -15.325 1.00 52.24 H new ATOM 656 N LEU A 45 -7.406 -39.193 -10.360 1.00 65.44 N ATOM 657 CA LEU A 45 -8.777 -39.066 -9.881 1.00 1.02 C ATOM 658 C LEU A 45 -9.645 -38.548 -11.010 1.00 41.11 C ATOM 659 O LEU A 45 -9.457 -37.425 -11.469 1.00 73.21 O ATOM 660 CB LEU A 45 -8.879 -38.094 -8.692 1.00 45.12 C ATOM 661 CG LEU A 45 -8.047 -38.441 -7.450 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.556 -38.252 -7.715 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.501 -37.601 -6.254 1.00 43.24 C ATOM 0 H LEU A 45 -6.910 -38.306 -10.445 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.111 -40.048 -9.547 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.582 -37.103 -9.035 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.925 -38.028 -8.394 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.209 -39.493 -7.214 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -5.992 -38.505 -6.817 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.247 -38.902 -8.533 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.363 -37.213 -7.984 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -7.902 -37.858 -5.380 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.373 -36.543 -6.483 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.552 -37.803 -6.046 1.00 43.24 H new ATOM 675 N VAL A 46 -10.574 -39.360 -11.473 1.00 52.30 N ATOM 676 CA VAL A 46 -11.483 -38.944 -12.533 1.00 52.42 C ATOM 677 C VAL A 46 -12.851 -38.598 -11.954 1.00 21.23 C ATOM 678 O VAL A 46 -13.607 -39.491 -11.565 1.00 14.33 O ATOM 679 CB VAL A 46 -11.646 -40.047 -13.612 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.565 -39.578 -14.743 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.284 -40.473 -14.159 1.00 72.45 C ATOM 0 H VAL A 46 -10.723 -40.311 -11.136 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.050 -38.062 -13.005 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.111 -40.913 -13.141 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.662 -40.370 -15.485 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.548 -39.339 -14.337 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.140 -38.691 -15.213 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.421 -41.247 -14.914 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.787 -39.613 -14.607 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.671 -40.863 -13.346 1.00 72.45 H new ATOM 691 N ASP A 47 -13.150 -37.303 -11.867 1.00 11.12 N ATOM 692 CA ASP A 47 -14.494 -36.857 -11.507 1.00 51.13 C ATOM 693 C ASP A 47 -15.413 -37.014 -12.712 1.00 54.22 C ATOM 694 O ASP A 47 -15.076 -36.566 -13.811 1.00 62.13 O ATOM 695 CB ASP A 47 -14.498 -35.393 -11.045 1.00 0.54 C ATOM 696 CG ASP A 47 -15.904 -34.893 -10.718 1.00 13.50 C ATOM 697 OD1 ASP A 47 -16.248 -33.760 -11.127 1.00 30.41 O ATOM 698 OD2 ASP A 47 -16.668 -35.632 -10.060 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.485 -36.549 -12.040 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.847 -37.471 -10.678 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.864 -35.290 -10.164 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -14.064 -34.767 -11.825 1.00 0.54 H new ATOM 703 N PHE A 48 -16.555 -37.659 -12.523 1.00 33.43 N ATOM 704 CA PHE A 48 -17.492 -37.864 -13.627 1.00 51.34 C ATOM 705 C PHE A 48 -18.133 -36.543 -14.056 1.00 61.52 C ATOM 706 O PHE A 48 -17.656 -35.894 -14.991 1.00 13.11 O ATOM 707 CB PHE A 48 -18.560 -38.914 -13.266 1.00 65.22 C ATOM 708 CG PHE A 48 -18.355 -40.240 -13.960 1.00 13.55 C ATOM 709 CD1 PHE A 48 -17.224 -41.004 -13.709 1.00 62.52 C ATOM 710 CD2 PHE A 48 -19.288 -40.718 -14.869 1.00 12.32 C ATOM 711 CE1 PHE A 48 -17.033 -42.216 -14.347 1.00 14.23 C ATOM 712 CE2 PHE A 48 -19.100 -41.928 -15.508 1.00 3.03 C ATOM 713 CZ PHE A 48 -17.971 -42.678 -15.248 1.00 0.02 C ATOM 0 H PHE A 48 -16.856 -38.047 -11.629 1.00 33.43 H new ATOM 0 HA PHE A 48 -16.927 -38.250 -14.476 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -18.554 -39.072 -12.188 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.544 -38.525 -13.526 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -16.484 -40.648 -13.007 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -20.173 -40.136 -15.080 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -16.149 -42.801 -14.140 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -19.837 -42.287 -16.211 1.00 3.03 H new ATOM 0 HZ PHE A 48 -17.822 -43.624 -15.748 1.00 0.02 H new ATOM 723 N TRP A 49 -19.185 -36.129 -13.359 1.00 62.40 N ATOM 724 CA TRP A 49 -19.927 -34.933 -13.735 1.00 3.51 C ATOM 725 C TRP A 49 -20.879 -34.510 -12.620 1.00 41.31 C ATOM 726 O TRP A 49 -21.356 -35.341 -11.842 1.00 63.54 O ATOM 727 CB TRP A 49 -20.703 -35.178 -15.043 1.00 40.21 C ATOM 728 CG TRP A 49 -21.567 -34.021 -15.467 1.00 42.53 C ATOM 729 CD1 TRP A 49 -22.930 -34.001 -15.539 1.00 65.23 C ATOM 730 CD2 TRP A 49 -21.126 -32.714 -15.861 1.00 72.13 C ATOM 731 NE1 TRP A 49 -23.364 -32.766 -15.959 1.00 33.30 N ATOM 732 CE2 TRP A 49 -22.275 -31.959 -16.164 1.00 34.35 C ATOM 733 CE3 TRP A 49 -19.870 -32.110 -15.990 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -22.207 -30.633 -16.585 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -19.805 -30.794 -16.407 1.00 74.34 C ATOM 736 CH2 TRP A 49 -20.966 -30.069 -16.701 1.00 43.42 C ATOM 0 H TRP A 49 -19.543 -36.604 -12.531 1.00 62.40 H new ATOM 0 HA TRP A 49 -19.215 -34.124 -13.896 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -19.992 -35.399 -15.839 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -21.330 -36.061 -14.922 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -23.574 -34.835 -15.301 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -24.338 -32.494 -16.096 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -18.969 -32.662 -15.768 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -23.101 -30.071 -16.811 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -18.842 -30.316 -16.508 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -20.880 -29.043 -17.026 1.00 43.42 H new ATOM 747 N ALA A 50 -21.145 -33.210 -12.554 1.00 41.34 N ATOM 748 CA ALA A 50 -22.070 -32.641 -11.583 1.00 51.22 C ATOM 749 C ALA A 50 -22.858 -31.503 -12.234 1.00 20.23 C ATOM 750 O ALA A 50 -22.359 -30.382 -12.339 1.00 33.32 O ATOM 751 CB ALA A 50 -21.315 -32.142 -10.351 1.00 54.33 C ATOM 0 H ALA A 50 -20.723 -32.520 -13.175 1.00 41.34 H new ATOM 0 HA ALA A 50 -22.767 -33.413 -11.258 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -22.022 -31.720 -9.637 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -20.784 -32.974 -9.888 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -20.599 -31.376 -10.649 1.00 54.33 H new ATOM 757 N PRO A 51 -24.088 -31.787 -12.715 1.00 55.40 N ATOM 758 CA PRO A 51 -24.918 -30.789 -13.405 1.00 12.22 C ATOM 759 C PRO A 51 -25.427 -29.703 -12.453 1.00 34.03 C ATOM 760 O PRO A 51 -25.295 -28.509 -12.728 1.00 2.20 O ATOM 761 CB PRO A 51 -26.081 -31.618 -13.970 1.00 62.34 C ATOM 762 CG PRO A 51 -26.167 -32.815 -13.081 1.00 64.33 C ATOM 763 CD PRO A 51 -24.759 -33.100 -12.622 1.00 24.12 C ATOM 0 HA PRO A 51 -24.362 -30.249 -14.171 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -27.012 -31.051 -13.960 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -25.895 -31.907 -15.004 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -26.822 -32.623 -12.231 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -26.582 -33.669 -13.617 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -24.741 -33.488 -11.604 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -24.274 -33.843 -13.255 1.00 24.12 H new ATOM 771 N TRP A 52 -26.011 -30.130 -11.337 1.00 52.31 N ATOM 772 CA TRP A 52 -26.511 -29.214 -10.317 1.00 61.04 C ATOM 773 C TRP A 52 -26.004 -29.656 -8.950 1.00 61.45 C ATOM 774 O TRP A 52 -26.219 -30.800 -8.545 1.00 73.15 O ATOM 775 CB TRP A 52 -28.048 -29.173 -10.323 1.00 34.34 C ATOM 776 CG TRP A 52 -28.633 -28.781 -11.653 1.00 2.33 C ATOM 777 CD1 TRP A 52 -29.256 -29.600 -12.554 1.00 55.55 C ATOM 778 CD2 TRP A 52 -28.643 -27.471 -12.232 1.00 2.31 C ATOM 779 NE1 TRP A 52 -29.649 -28.879 -13.652 1.00 21.24 N ATOM 780 CE2 TRP A 52 -29.286 -27.571 -13.480 1.00 34.23 C ATOM 781 CE3 TRP A 52 -28.173 -26.221 -11.815 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -29.468 -26.472 -14.314 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -28.354 -25.130 -12.644 1.00 4.30 C ATOM 784 CH2 TRP A 52 -28.998 -25.262 -13.881 1.00 60.21 C ATOM 0 H TRP A 52 -26.150 -31.116 -11.115 1.00 52.31 H new ATOM 0 HA TRP A 52 -26.146 -28.211 -10.536 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -28.431 -30.154 -10.042 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -28.388 -28.469 -9.564 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -29.415 -30.660 -12.420 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -30.134 -29.257 -14.466 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -27.677 -26.110 -10.862 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -29.963 -26.571 -15.269 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -27.993 -24.161 -12.333 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -29.126 -24.391 -14.506 1.00 60.21 H new ATOM 795 N CYS A 53 -25.315 -28.760 -8.255 1.00 50.22 N ATOM 796 CA CYS A 53 -24.724 -29.082 -6.961 1.00 20.35 C ATOM 797 C CYS A 53 -24.358 -27.814 -6.201 1.00 44.23 C ATOM 798 O CYS A 53 -23.822 -26.861 -6.776 1.00 40.01 O ATOM 799 CB CYS A 53 -23.476 -29.952 -7.153 1.00 43.12 C ATOM 800 SG CYS A 53 -22.613 -30.389 -5.607 1.00 63.30 S ATOM 0 H CYS A 53 -25.151 -27.802 -8.566 1.00 50.22 H new ATOM 0 HA CYS A 53 -25.461 -29.634 -6.378 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -23.764 -30.870 -7.665 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -22.780 -29.427 -7.807 1.00 43.12 H new ATOM 805 N GLY A 54 -24.664 -27.802 -4.910 1.00 43.40 N ATOM 806 CA GLY A 54 -24.302 -26.689 -4.058 1.00 13.40 C ATOM 807 C GLY A 54 -22.902 -26.834 -3.486 1.00 4.44 C ATOM 808 O GLY A 54 -22.008 -26.075 -3.853 1.00 31.03 O ATOM 0 H GLY A 54 -25.163 -28.554 -4.434 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -24.365 -25.762 -4.628 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -25.020 -26.611 -3.241 1.00 13.40 H new ATOM 812 N PRO A 55 -22.669 -27.837 -2.609 1.00 11.55 N ATOM 813 CA PRO A 55 -21.388 -28.004 -1.895 1.00 25.30 C ATOM 814 C PRO A 55 -20.182 -28.080 -2.836 1.00 32.04 C ATOM 815 O PRO A 55 -19.065 -27.719 -2.457 1.00 53.41 O ATOM 816 CB PRO A 55 -21.563 -29.328 -1.126 1.00 54.22 C ATOM 817 CG PRO A 55 -22.729 -30.004 -1.769 1.00 31.01 C ATOM 818 CD PRO A 55 -23.628 -28.899 -2.248 1.00 51.53 C ATOM 0 HA PRO A 55 -21.180 -27.149 -1.251 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.666 -29.943 -1.192 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.748 -29.147 -0.067 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -22.407 -30.634 -2.598 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.247 -30.650 -1.060 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -24.231 -29.208 -3.102 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.320 -28.574 -1.471 1.00 51.53 H new ATOM 826 N CYS A 56 -20.416 -28.535 -4.066 1.00 70.12 N ATOM 827 CA CYS A 56 -19.347 -28.692 -5.054 1.00 20.13 C ATOM 828 C CYS A 56 -18.579 -27.384 -5.277 1.00 71.35 C ATOM 829 O CYS A 56 -17.415 -27.411 -5.687 1.00 52.03 O ATOM 830 CB CYS A 56 -19.922 -29.213 -6.375 1.00 24.21 C ATOM 831 SG CYS A 56 -20.733 -30.838 -6.225 1.00 62.21 S ATOM 0 H CYS A 56 -21.340 -28.803 -4.404 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.637 -29.421 -4.663 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -20.642 -28.490 -6.758 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -19.119 -29.283 -7.109 1.00 24.21 H new ATOM 836 N ARG A 57 -19.221 -26.250 -4.981 1.00 42.14 N ATOM 837 CA ARG A 57 -18.570 -24.941 -5.085 1.00 30.24 C ATOM 838 C ARG A 57 -17.275 -24.921 -4.273 1.00 54.23 C ATOM 839 O ARG A 57 -16.252 -24.422 -4.736 1.00 53.21 O ATOM 840 CB ARG A 57 -19.515 -23.824 -4.605 1.00 42.45 C ATOM 841 CG ARG A 57 -20.013 -24.000 -3.172 1.00 14.45 C ATOM 842 CD ARG A 57 -20.986 -22.899 -2.766 1.00 71.53 C ATOM 843 NE ARG A 57 -20.306 -21.620 -2.537 1.00 20.02 N ATOM 844 CZ ARG A 57 -20.657 -20.464 -3.108 1.00 74.44 C ATOM 845 NH1 ARG A 57 -21.591 -20.436 -4.053 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -20.042 -19.344 -2.753 1.00 33.01 N ATOM 0 H ARG A 57 -20.191 -26.212 -4.667 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.328 -24.764 -6.133 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -18.998 -22.867 -4.684 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -20.375 -23.778 -5.274 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -20.502 -24.970 -3.075 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -19.162 -24.002 -2.490 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.738 -22.775 -3.545 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -21.512 -23.197 -1.859 1.00 71.53 H new ATOM 0 HE ARG A 57 -19.511 -21.612 -1.898 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -22.045 -21.301 -4.347 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -21.854 -19.550 -4.484 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -19.306 -19.368 -2.048 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -20.305 -18.458 -3.185 1.00 33.01 H new ATOM 860 N SER A 58 -17.332 -25.459 -3.056 1.00 22.42 N ATOM 861 CA SER A 58 -16.160 -25.561 -2.197 1.00 70.35 C ATOM 862 C SER A 58 -15.237 -26.690 -2.668 1.00 50.02 C ATOM 863 O SER A 58 -14.010 -26.587 -2.592 1.00 63.20 O ATOM 864 CB SER A 58 -16.604 -25.805 -0.750 1.00 12.11 C ATOM 865 OG SER A 58 -17.541 -24.824 -0.331 1.00 40.31 O ATOM 0 H SER A 58 -18.186 -25.833 -2.643 1.00 22.42 H new ATOM 0 HA SER A 58 -15.603 -24.626 -2.250 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.048 -26.797 -0.665 1.00 12.11 H new ATOM 0 HB3 SER A 58 -15.735 -25.787 -0.092 1.00 12.11 H new ATOM 0 HG SER A 58 -17.810 -25.003 0.594 1.00 40.31 H new ATOM 871 N LEU A 59 -15.838 -27.768 -3.164 1.00 35.33 N ATOM 872 CA LEU A 59 -15.087 -28.974 -3.504 1.00 33.30 C ATOM 873 C LEU A 59 -14.101 -28.744 -4.646 1.00 51.22 C ATOM 874 O LEU A 59 -13.011 -29.307 -4.624 1.00 44.13 O ATOM 875 CB LEU A 59 -16.024 -30.147 -3.831 1.00 34.51 C ATOM 876 CG LEU A 59 -16.466 -30.996 -2.623 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.254 -31.600 -1.914 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.303 -30.172 -1.646 1.00 63.33 C ATOM 0 H LEU A 59 -16.841 -27.832 -3.339 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.506 -29.233 -2.619 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -16.914 -29.753 -4.322 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.526 -30.799 -4.549 1.00 34.51 H new ATOM 0 HG LEU A 59 -17.088 -31.809 -2.997 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.589 -32.195 -1.064 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.705 -32.236 -2.609 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.602 -30.800 -1.562 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.600 -30.797 -0.804 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.714 -29.330 -1.282 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.193 -29.800 -2.153 1.00 63.33 H new ATOM 890 N GLU A 60 -14.462 -27.923 -5.632 1.00 25.40 N ATOM 891 CA GLU A 60 -13.554 -27.669 -6.754 1.00 51.24 C ATOM 892 C GLU A 60 -12.217 -27.095 -6.243 1.00 31.13 C ATOM 893 O GLU A 60 -11.171 -27.711 -6.455 1.00 60.23 O ATOM 894 CB GLU A 60 -14.192 -26.758 -7.822 1.00 44.05 C ATOM 895 CG GLU A 60 -13.281 -26.507 -9.027 1.00 51.15 C ATOM 896 CD GLU A 60 -13.896 -25.587 -10.072 1.00 40.34 C ATOM 897 OE1 GLU A 60 -13.911 -24.357 -9.853 1.00 65.12 O ATOM 898 OE2 GLU A 60 -14.345 -26.084 -11.128 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.355 -27.432 -5.680 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.353 -28.623 -7.242 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -15.122 -27.210 -8.166 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -14.452 -25.802 -7.366 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -12.343 -26.073 -8.679 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -13.037 -27.462 -9.493 1.00 51.15 H new ATOM 905 N PRO A 61 -12.217 -25.935 -5.534 1.00 40.44 N ATOM 906 CA PRO A 61 -10.983 -25.373 -4.968 1.00 20.54 C ATOM 907 C PRO A 61 -10.312 -26.323 -3.968 1.00 64.23 C ATOM 908 O PRO A 61 -9.085 -26.351 -3.865 1.00 41.33 O ATOM 909 CB PRO A 61 -11.435 -24.075 -4.279 1.00 61.44 C ATOM 910 CG PRO A 61 -12.912 -24.206 -4.119 1.00 3.54 C ATOM 911 CD PRO A 61 -13.382 -25.073 -5.253 1.00 61.33 C ATOM 0 HA PRO A 61 -10.232 -25.203 -5.739 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -10.945 -23.951 -3.313 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.181 -23.202 -4.880 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.161 -24.654 -3.157 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.395 -23.229 -4.150 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.257 -25.660 -4.974 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -13.661 -24.479 -6.123 1.00 61.33 H new ATOM 919 N GLN A 62 -11.112 -27.105 -3.234 1.00 1.31 N ATOM 920 CA GLN A 62 -10.550 -28.094 -2.307 1.00 64.23 C ATOM 921 C GLN A 62 -9.753 -29.152 -3.075 1.00 72.30 C ATOM 922 O GLN A 62 -8.636 -29.510 -2.691 1.00 45.13 O ATOM 923 CB GLN A 62 -11.646 -28.763 -1.463 1.00 52.44 C ATOM 924 CG GLN A 62 -12.312 -27.826 -0.460 1.00 75.21 C ATOM 925 CD GLN A 62 -13.280 -28.543 0.467 1.00 5.22 C ATOM 926 OE1 GLN A 62 -12.902 -29.004 1.542 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.533 -28.653 0.054 1.00 34.41 N ATOM 0 H GLN A 62 -12.131 -27.075 -3.262 1.00 1.31 H new ATOM 0 HA GLN A 62 -9.880 -27.568 -1.627 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.408 -29.167 -2.129 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.213 -29.606 -0.925 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.543 -27.334 0.136 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -12.846 -27.044 -1.000 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -14.810 -28.258 -0.844 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.221 -29.133 0.634 1.00 34.41 H new ATOM 936 N LEU A 63 -10.323 -29.621 -4.181 1.00 4.32 N ATOM 937 CA LEU A 63 -9.673 -30.626 -5.014 1.00 24.11 C ATOM 938 C LEU A 63 -8.437 -30.037 -5.682 1.00 34.30 C ATOM 939 O LEU A 63 -7.417 -30.711 -5.816 1.00 14.04 O ATOM 940 CB LEU A 63 -10.647 -31.168 -6.073 1.00 72.32 C ATOM 941 CG LEU A 63 -11.815 -32.004 -5.523 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.747 -32.451 -6.648 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.294 -33.208 -4.737 1.00 74.14 C ATOM 0 H LEU A 63 -11.236 -29.320 -4.521 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.366 -31.455 -4.377 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.056 -30.326 -6.632 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.086 -31.778 -6.781 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.390 -31.375 -4.843 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.564 -33.040 -6.231 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.153 -31.575 -7.154 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.190 -33.057 -7.363 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.136 -33.786 -4.357 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.689 -33.836 -5.391 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.685 -32.862 -3.902 1.00 74.14 H new ATOM 955 N GLU A 64 -8.533 -28.771 -6.090 1.00 4.53 N ATOM 956 CA GLU A 64 -7.403 -28.074 -6.693 1.00 14.32 C ATOM 957 C GLU A 64 -6.283 -27.900 -5.671 1.00 63.35 C ATOM 958 O GLU A 64 -5.102 -27.997 -6.010 1.00 10.34 O ATOM 959 CB GLU A 64 -7.830 -26.715 -7.263 1.00 61.33 C ATOM 960 CG GLU A 64 -8.900 -26.822 -8.345 1.00 42.54 C ATOM 961 CD GLU A 64 -9.210 -25.491 -9.011 1.00 13.44 C ATOM 962 OE1 GLU A 64 -9.035 -25.385 -10.245 1.00 52.13 O ATOM 963 OE2 GLU A 64 -9.623 -24.546 -8.306 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.382 -28.210 -6.013 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.032 -28.680 -7.520 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.205 -26.091 -6.452 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -6.956 -26.211 -7.675 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.572 -27.533 -9.103 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -9.813 -27.223 -7.906 1.00 42.54 H new ATOM 970 N LYS A 65 -6.661 -27.665 -4.413 1.00 0.43 N ATOM 971 CA LYS A 65 -5.689 -27.582 -3.325 1.00 4.21 C ATOM 972 C LYS A 65 -4.870 -28.861 -3.266 1.00 63.22 C ATOM 973 O LYS A 65 -3.636 -28.827 -3.272 1.00 64.34 O ATOM 974 CB LYS A 65 -6.389 -27.354 -1.976 1.00 2.10 C ATOM 975 CG LYS A 65 -5.451 -27.494 -0.772 1.00 73.25 C ATOM 976 CD LYS A 65 -6.158 -27.189 0.548 1.00 53.43 C ATOM 977 CE LYS A 65 -5.180 -27.118 1.719 1.00 74.54 C ATOM 978 NZ LYS A 65 -4.355 -28.350 1.848 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.630 -27.529 -4.125 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.032 -26.735 -3.519 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.831 -26.358 -1.969 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.207 -28.067 -1.875 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.050 -28.507 -0.742 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.604 -26.819 -0.893 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -6.691 -26.242 0.463 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -6.904 -27.958 0.745 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -4.524 -26.257 1.589 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -5.736 -26.958 2.643 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -3.782 -28.295 2.714 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -4.978 -29.181 1.898 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -3.728 -28.436 1.023 1.00 62.51 H new ATOM 992 N LEU A 66 -5.562 -29.993 -3.223 1.00 12.42 N ATOM 993 CA LEU A 66 -4.890 -31.283 -3.166 1.00 2.43 C ATOM 994 C LEU A 66 -4.174 -31.548 -4.490 1.00 60.12 C ATOM 995 O LEU A 66 -3.118 -32.176 -4.525 1.00 51.14 O ATOM 996 CB LEU A 66 -5.893 -32.407 -2.852 1.00 45.35 C ATOM 997 CG LEU A 66 -6.847 -32.108 -1.682 1.00 74.51 C ATOM 998 CD1 LEU A 66 -7.843 -33.241 -1.483 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.064 -31.843 -0.400 1.00 41.11 C ATOM 0 H LEU A 66 -6.581 -30.043 -3.226 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.152 -31.263 -2.364 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.486 -32.606 -3.745 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.339 -33.318 -2.627 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.410 -31.208 -1.930 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.504 -33.002 -0.650 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.434 -33.369 -2.390 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.305 -34.164 -1.267 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -6.758 -31.634 0.414 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.466 -32.720 -0.151 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.407 -30.986 -0.546 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.748 -31.024 -5.570 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.169 -31.145 -6.905 1.00 1.23 C ATOM 1013 C ALA A 67 -2.913 -30.290 -7.035 1.00 3.40 C ATOM 1014 O ALA A 67 -2.179 -30.409 -8.007 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.185 -30.743 -7.967 1.00 34.31 C ATOM 0 H ALA A 67 -5.626 -30.505 -5.545 1.00 43.32 H new ATOM 0 HA ALA A 67 -3.893 -32.189 -7.057 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.736 -30.840 -8.955 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.058 -31.393 -7.900 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.489 -29.709 -7.806 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.707 -29.393 -6.071 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.498 -28.567 -6.011 1.00 34.53 C ATOM 1023 C GLN A 68 -0.460 -29.188 -5.075 1.00 14.40 C ATOM 1024 O GLN A 68 0.697 -29.371 -5.452 1.00 34.01 O ATOM 1025 CB GLN A 68 -1.860 -27.149 -5.543 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.501 -26.295 -6.632 1.00 63.23 C ATOM 1027 CD GLN A 68 -1.480 -25.759 -7.622 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -1.179 -26.537 -8.648 1.00 74.13 O flip ATOM 1029 NE2 GLN A 68 -0.950 -24.664 -7.449 1.00 35.24 N flip ATOM 0 H GLN A 68 -3.368 -29.218 -5.314 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.063 -28.514 -7.009 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.543 -27.218 -4.697 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -0.958 -26.652 -5.185 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -3.244 -26.888 -7.165 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.030 -25.461 -6.172 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -1.210 -24.093 -6.645 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -0.250 -24.326 -8.110 1.00 35.24 H new ATOM 1038 N GLN A 69 -0.882 -29.528 -3.861 1.00 23.22 N ATOM 1039 CA GLN A 69 0.015 -30.122 -2.868 1.00 22.40 C ATOM 1040 C GLN A 69 0.538 -31.477 -3.350 1.00 3.21 C ATOM 1041 O GLN A 69 1.723 -31.784 -3.233 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.719 -30.287 -1.530 1.00 11.52 C ATOM 1043 CG GLN A 69 0.126 -30.916 -0.426 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.621 -31.024 0.892 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -0.536 -29.986 1.701 1.00 65.51 O flip ATOM 1046 NE2 GLN A 69 -1.275 -32.026 1.178 1.00 31.30 N flip ATOM 0 H GLN A 69 -1.841 -29.403 -3.538 1.00 23.22 H new ATOM 0 HA GLN A 69 0.866 -29.455 -2.730 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.064 -29.309 -1.195 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.605 -30.901 -1.688 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.446 -31.909 -0.740 1.00 32.44 H new ATOM 0 HG3 GLN A 69 1.028 -30.321 -0.281 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.318 -32.810 0.527 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -1.774 -32.073 2.066 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.364 -32.263 -3.914 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.075 -33.629 -4.334 1.00 60.14 C ATOM 1057 C TYR A 70 0.221 -33.704 -5.836 1.00 40.42 C ATOM 1058 O TYR A 70 0.388 -34.791 -6.378 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.242 -34.556 -3.974 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.554 -34.622 -2.488 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.842 -34.388 -2.014 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.561 -34.921 -1.560 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.131 -34.455 -0.665 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.844 -34.989 -0.209 1.00 4.24 C ATOM 1065 CZ TYR A 70 -2.130 -34.755 0.232 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.414 -34.817 1.577 1.00 12.52 O ATOM 0 H TYR A 70 -1.324 -31.972 -4.096 1.00 14.41 H new ATOM 0 HA TYR A 70 0.817 -33.959 -3.802 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.133 -34.222 -4.506 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -1.016 -35.561 -4.331 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.629 -34.150 -2.714 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.447 -35.103 -1.901 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.137 -34.273 -0.316 1.00 62.24 H new ATOM 0 HE2 TYR A 70 -0.062 -35.224 0.498 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.599 -35.041 2.073 1.00 12.52 H new ATOM 1076 N THR A 71 0.283 -32.548 -6.497 1.00 61.35 N ATOM 1077 CA THR A 71 0.319 -32.472 -7.966 1.00 51.44 C ATOM 1078 C THR A 71 1.423 -33.337 -8.591 1.00 2.11 C ATOM 1079 O THR A 71 1.302 -33.764 -9.744 1.00 63.31 O ATOM 1080 CB THR A 71 0.531 -31.007 -8.436 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.320 -30.904 -9.850 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.932 -30.500 -8.098 1.00 4.22 C ATOM 0 H THR A 71 0.310 -31.639 -6.036 1.00 61.35 H new ATOM 0 HA THR A 71 -0.646 -32.853 -8.301 1.00 51.44 H new ATOM 0 HB THR A 71 -0.194 -30.389 -7.906 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.455 -29.976 -10.134 1.00 20.15 H new ATOM 0 HG21 THR A 71 2.040 -29.472 -8.443 1.00 4.22 H new ATOM 0 HG22 THR A 71 2.082 -30.538 -7.019 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.675 -31.128 -8.590 1.00 4.22 H new ATOM 1090 N GLU A 72 2.488 -33.600 -7.842 1.00 51.24 N ATOM 1091 CA GLU A 72 3.619 -34.360 -8.370 1.00 74.02 C ATOM 1092 C GLU A 72 3.325 -35.859 -8.385 1.00 60.10 C ATOM 1093 O GLU A 72 3.976 -36.619 -9.104 1.00 53.34 O ATOM 1094 CB GLU A 72 4.884 -34.065 -7.557 1.00 21.44 C ATOM 1095 CG GLU A 72 5.328 -32.606 -7.634 1.00 35.12 C ATOM 1096 CD GLU A 72 6.683 -32.371 -6.991 1.00 32.11 C ATOM 1097 OE1 GLU A 72 7.701 -32.778 -7.585 1.00 53.51 O ATOM 1098 OE2 GLU A 72 6.741 -31.775 -5.894 1.00 0.13 O1- ATOM 0 H GLU A 72 2.594 -33.301 -6.873 1.00 51.24 H new ATOM 0 HA GLU A 72 3.784 -34.046 -9.401 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.706 -34.328 -6.514 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.693 -34.703 -7.914 1.00 21.44 H new ATOM 0 HG2 GLU A 72 5.368 -32.297 -8.679 1.00 35.12 H new ATOM 0 HG3 GLU A 72 4.584 -31.978 -7.144 1.00 35.12 H new ATOM 1105 N ASN A 73 2.336 -36.278 -7.601 1.00 54.34 N ATOM 1106 CA ASN A 73 1.964 -37.693 -7.498 1.00 53.33 C ATOM 1107 C ASN A 73 0.475 -37.891 -7.790 1.00 50.23 C ATOM 1108 O ASN A 73 -0.034 -39.008 -7.719 1.00 40.15 O ATOM 1109 CB ASN A 73 2.286 -38.229 -6.091 1.00 52.25 C ATOM 1110 CG ASN A 73 3.774 -38.240 -5.781 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.609 -38.430 -6.667 1.00 52.33 O ATOM 1112 ND2 ASN A 73 4.117 -38.041 -4.517 1.00 3.30 N ATOM 0 H ASN A 73 1.772 -35.656 -7.022 1.00 54.34 H new ATOM 0 HA ASN A 73 2.543 -38.246 -8.238 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.771 -37.618 -5.350 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.894 -39.242 -5.996 1.00 52.25 H new ATOM 0 HD21 ASN A 73 5.101 -38.042 -4.249 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.397 -37.887 -3.811 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.217 -36.800 -8.121 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.669 -36.824 -8.320 1.00 72.51 C ATOM 1121 C VAL A 74 -2.077 -36.000 -9.545 1.00 33.41 C ATOM 1122 O VAL A 74 -1.468 -34.968 -9.844 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.411 -36.287 -7.063 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.901 -36.068 -7.333 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.217 -37.233 -5.880 1.00 50.05 C ATOM 0 H VAL A 74 0.207 -35.882 -8.258 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.954 -37.863 -8.486 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.975 -35.319 -6.816 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.383 -35.693 -6.430 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -4.022 -35.343 -8.137 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.361 -37.013 -7.624 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.743 -36.840 -5.010 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.615 -38.216 -6.131 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.154 -37.319 -5.653 1.00 50.05 H new ATOM 1135 N LYS A 75 -3.102 -36.471 -10.251 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.645 -35.766 -11.404 1.00 20.41 C ATOM 1137 C LYS A 75 -5.154 -36.019 -11.487 1.00 63.15 C ATOM 1138 O LYS A 75 -5.587 -37.167 -11.592 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.950 -36.251 -12.688 1.00 33.32 C ATOM 1140 CG LYS A 75 -2.804 -35.176 -13.763 1.00 15.44 C ATOM 1141 CD LYS A 75 -1.811 -34.088 -13.350 1.00 32.33 C ATOM 1142 CE LYS A 75 -0.414 -34.658 -13.116 1.00 62.53 C ATOM 1143 NZ LYS A 75 0.552 -33.612 -12.698 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.576 -37.349 -10.039 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.467 -34.696 -11.296 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.961 -36.630 -12.432 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.515 -37.087 -13.100 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.472 -35.636 -14.694 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -3.776 -34.724 -13.959 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -1.767 -33.323 -14.125 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -2.162 -33.601 -12.440 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -0.462 -35.433 -12.351 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -0.059 -35.134 -14.030 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 1.427 -33.705 -13.253 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 0.138 -32.672 -12.860 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 0.770 -33.725 -11.687 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.953 -34.955 -11.418 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.410 -35.092 -11.443 1.00 43.12 C ATOM 1159 C ILE A 76 -7.965 -34.674 -12.804 1.00 51.15 C ATOM 1160 O ILE A 76 -7.607 -33.618 -13.336 1.00 60.02 O ATOM 1161 CB ILE A 76 -8.093 -34.245 -10.336 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.402 -34.474 -8.979 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.587 -34.572 -10.249 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -7.997 -33.668 -7.843 1.00 73.14 C ATOM 0 H ILE A 76 -5.619 -33.994 -11.345 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.631 -36.143 -11.258 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.993 -33.191 -10.597 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.458 -35.533 -8.728 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.345 -34.224 -9.074 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -10.047 -33.968 -9.467 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -10.064 -34.353 -11.204 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.715 -35.629 -10.013 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.457 -33.884 -6.921 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.917 -32.605 -8.070 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.047 -33.934 -7.719 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.834 -35.512 -13.355 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.489 -35.243 -14.630 1.00 12.22 C ATOM 1178 C TYR A 77 -11.000 -35.254 -14.437 1.00 34.33 C ATOM 1179 O TYR A 77 -11.494 -35.704 -13.403 1.00 1.44 O ATOM 1180 CB TYR A 77 -9.105 -36.304 -15.674 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.613 -36.461 -15.889 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.895 -37.435 -15.214 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -6.927 -35.639 -16.770 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.537 -37.588 -15.405 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.569 -35.782 -16.968 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.876 -36.756 -16.285 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.522 -36.901 -16.485 1.00 22.34 O ATOM 0 H TYR A 77 -9.105 -36.399 -12.930 1.00 3.34 H new ATOM 0 HA TYR A 77 -9.164 -34.266 -14.987 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.518 -37.265 -15.367 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.571 -36.046 -16.625 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.409 -38.088 -14.524 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.465 -34.874 -17.310 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.995 -38.354 -14.869 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.051 -35.131 -17.657 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.215 -36.236 -17.136 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.724 -34.749 -15.425 1.00 10.01 N ATOM 1198 CA LYS A 78 -13.180 -34.835 -15.444 1.00 3.41 C ATOM 1199 C LYS A 78 -13.687 -34.917 -16.876 1.00 25.15 C ATOM 1200 O LYS A 78 -13.137 -34.276 -17.773 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.828 -33.636 -14.732 1.00 53.32 C ATOM 1202 CG LYS A 78 -13.378 -32.274 -15.253 1.00 32.43 C ATOM 1203 CD LYS A 78 -14.296 -31.131 -14.797 1.00 31.14 C ATOM 1204 CE LYS A 78 -14.546 -31.123 -13.286 1.00 3.31 C ATOM 1205 NZ LYS A 78 -15.590 -32.105 -12.877 1.00 62.33 N1+ ATOM 0 H LYS A 78 -11.324 -34.271 -16.232 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.461 -35.741 -14.907 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -14.911 -33.711 -14.834 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -13.603 -33.696 -13.667 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -12.362 -32.077 -14.911 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -13.349 -32.298 -16.342 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -13.853 -30.179 -15.090 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -15.251 -31.212 -15.316 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -13.615 -31.349 -12.765 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -14.850 -30.123 -12.976 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.319 -31.622 -12.313 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -16.027 -32.520 -13.724 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -15.154 -32.858 -12.308 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.732 -35.713 -17.082 1.00 35.25 N ATOM 1220 CA ILE A 79 -15.366 -35.842 -18.389 1.00 51.22 C ATOM 1221 C ILE A 79 -16.652 -35.021 -18.407 1.00 13.33 C ATOM 1222 O ILE A 79 -17.666 -35.429 -17.845 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.691 -37.322 -18.727 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -14.415 -38.180 -18.672 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -16.350 -37.431 -20.104 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -14.654 -39.648 -18.960 1.00 50.20 C ATOM 0 H ILE A 79 -15.160 -36.283 -16.353 1.00 35.25 H new ATOM 0 HA ILE A 79 -14.669 -35.473 -19.142 1.00 51.22 H new ATOM 0 HB ILE A 79 -16.393 -37.696 -17.981 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -13.695 -37.790 -19.392 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -13.964 -38.081 -17.685 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -16.569 -38.477 -20.321 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -17.277 -36.857 -20.110 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -15.674 -37.037 -20.863 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -13.709 -40.188 -18.903 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -15.349 -40.054 -18.225 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -15.076 -39.759 -19.959 1.00 50.20 H new ATOM 1238 N ASN A 80 -16.608 -33.861 -19.048 1.00 52.33 N ATOM 1239 CA ASN A 80 -17.741 -32.936 -19.033 1.00 2.04 C ATOM 1240 C ASN A 80 -18.770 -33.300 -20.105 1.00 60.11 C ATOM 1241 O ASN A 80 -19.683 -32.522 -20.397 1.00 23.20 O ATOM 1242 CB ASN A 80 -17.259 -31.485 -19.196 1.00 23.44 C ATOM 1243 CG ASN A 80 -16.635 -31.189 -20.551 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -16.128 -32.079 -21.233 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -16.639 -29.920 -20.930 1.00 24.31 N ATOM 0 H ASN A 80 -15.804 -33.536 -19.584 1.00 52.33 H new ATOM 0 HA ASN A 80 -18.234 -33.023 -18.065 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -18.103 -30.813 -19.042 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -16.530 -31.265 -18.416 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -16.211 -29.651 -21.816 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -17.070 -29.212 -20.336 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.628 -34.494 -20.677 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.606 -35.013 -21.625 1.00 54.13 C ATOM 1254 C ILE A 81 -20.817 -35.542 -20.853 1.00 65.23 C ATOM 1255 O ILE A 81 -20.955 -36.747 -20.630 1.00 21.40 O ATOM 1256 CB ILE A 81 -19.019 -36.141 -22.519 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -17.669 -35.719 -23.126 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -20.006 -36.513 -23.627 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -17.755 -34.536 -24.065 1.00 64.23 C ATOM 0 H ILE A 81 -17.843 -35.120 -20.499 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.899 -34.197 -22.286 1.00 54.13 H new ATOM 0 HB ILE A 81 -18.851 -37.016 -21.891 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -16.979 -35.478 -22.317 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -17.245 -36.566 -23.665 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -19.579 -37.304 -24.244 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -20.938 -36.862 -23.182 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -20.205 -35.638 -24.246 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -16.762 -34.303 -24.449 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -18.417 -34.778 -24.896 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -18.148 -33.673 -23.528 1.00 64.23 H new ATOM 1271 N GLU A 82 -21.673 -34.621 -20.426 1.00 34.03 N ATOM 1272 CA GLU A 82 -22.817 -34.937 -19.568 1.00 12.21 C ATOM 1273 C GLU A 82 -23.783 -35.935 -20.217 1.00 64.13 C ATOM 1274 O GLU A 82 -24.602 -36.549 -19.532 1.00 42.22 O ATOM 1275 CB GLU A 82 -23.539 -33.641 -19.148 1.00 14.33 C ATOM 1276 CG GLU A 82 -23.775 -32.632 -20.277 1.00 12.32 C ATOM 1277 CD GLU A 82 -24.790 -33.101 -21.306 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -25.996 -33.137 -20.977 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -24.391 -33.431 -22.445 1.00 51.21 O1- ATOM 0 H GLU A 82 -21.596 -33.632 -20.663 1.00 34.03 H new ATOM 0 HA GLU A 82 -22.432 -35.429 -18.674 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -24.502 -33.905 -18.711 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -22.956 -33.156 -18.365 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -24.114 -31.690 -19.847 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -22.828 -32.431 -20.778 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.695 -36.081 -21.535 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.570 -36.997 -22.277 1.00 11.04 C ATOM 1288 C ASP A 83 -24.211 -38.462 -22.005 1.00 33.50 C ATOM 1289 O ASP A 83 -24.966 -39.371 -22.354 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.497 -36.700 -23.781 1.00 23.45 C ATOM 1291 CG ASP A 83 -25.410 -37.598 -24.608 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -24.894 -38.372 -25.444 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -26.641 -37.531 -24.430 1.00 25.20 O1- ATOM 0 H ASP A 83 -23.026 -35.577 -22.117 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.591 -36.836 -21.931 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -24.767 -35.658 -23.954 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -23.469 -36.824 -24.121 1.00 23.45 H new ATOM 1298 N ASN A 84 -23.063 -38.692 -21.369 1.00 32.21 N ATOM 1299 CA ASN A 84 -22.636 -40.044 -20.989 1.00 13.34 C ATOM 1300 C ASN A 84 -23.373 -40.498 -19.726 1.00 61.05 C ATOM 1301 O ASN A 84 -22.761 -40.964 -18.762 1.00 23.22 O ATOM 1302 CB ASN A 84 -21.110 -40.082 -20.769 1.00 61.11 C ATOM 1303 CG ASN A 84 -20.323 -39.970 -22.066 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -20.795 -39.402 -23.050 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -19.109 -40.504 -22.078 1.00 3.45 N ATOM 0 H ASN A 84 -22.407 -37.957 -21.104 1.00 32.21 H new ATOM 0 HA ASN A 84 -22.884 -40.730 -21.799 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -20.823 -39.267 -20.104 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -20.843 -41.012 -20.267 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -18.537 -40.451 -22.921 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -18.748 -40.968 -21.245 1.00 3.45 H new ATOM 1312 N GLN A 85 -24.696 -40.376 -19.759 1.00 14.34 N ATOM 1313 CA GLN A 85 -25.547 -40.670 -18.610 1.00 73.43 C ATOM 1314 C GLN A 85 -25.412 -42.134 -18.194 1.00 30.44 C ATOM 1315 O GLN A 85 -24.963 -42.445 -17.086 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.012 -40.369 -18.963 1.00 62.01 C ATOM 1317 CG GLN A 85 -27.972 -40.487 -17.784 1.00 14.43 C ATOM 1318 CD GLN A 85 -29.425 -40.555 -18.218 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -29.978 -41.641 -18.405 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -30.043 -39.403 -18.419 1.00 22.33 N ATOM 0 H GLN A 85 -25.210 -40.070 -20.585 1.00 14.34 H new ATOM 0 HA GLN A 85 -25.231 -40.042 -17.777 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -27.077 -39.360 -19.371 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -27.333 -41.052 -19.749 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -27.727 -41.380 -17.208 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -27.834 -39.633 -17.121 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -29.551 -38.525 -18.253 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -31.011 -39.393 -18.740 1.00 22.33 H new ATOM 1329 N ASP A 86 -25.782 -43.025 -19.111 1.00 11.41 N ATOM 1330 CA ASP A 86 -25.808 -44.464 -18.845 1.00 44.11 C ATOM 1331 C ASP A 86 -24.472 -44.942 -18.296 1.00 63.32 C ATOM 1332 O ASP A 86 -24.428 -45.803 -17.419 1.00 33.14 O ATOM 1333 CB ASP A 86 -26.162 -45.249 -20.116 1.00 54.34 C ATOM 1334 CG ASP A 86 -27.600 -45.027 -20.558 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -27.858 -44.073 -21.320 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -28.485 -45.804 -20.135 1.00 5.23 O1- ATOM 0 H ASP A 86 -26.071 -42.773 -20.056 1.00 11.41 H new ATOM 0 HA ASP A 86 -26.577 -44.646 -18.095 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -25.489 -44.954 -20.921 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -26.000 -46.312 -19.939 1.00 54.34 H new ATOM 1341 N VAL A 87 -23.388 -44.365 -18.806 1.00 53.31 N ATOM 1342 CA VAL A 87 -22.044 -44.702 -18.345 1.00 43.31 C ATOM 1343 C VAL A 87 -21.929 -44.470 -16.838 1.00 71.01 C ATOM 1344 O VAL A 87 -21.374 -45.295 -16.108 1.00 44.23 O ATOM 1345 CB VAL A 87 -20.966 -43.864 -19.080 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -19.558 -44.252 -18.624 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -21.107 -44.017 -20.593 1.00 22.14 C ATOM 0 H VAL A 87 -23.414 -43.659 -19.542 1.00 53.31 H new ATOM 0 HA VAL A 87 -21.873 -45.755 -18.568 1.00 43.31 H new ATOM 0 HB VAL A 87 -21.122 -42.816 -18.824 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -18.824 -43.648 -19.157 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -19.462 -44.079 -17.552 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -19.384 -45.307 -18.838 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -20.342 -43.422 -21.092 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -20.986 -45.065 -20.866 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -22.094 -43.673 -20.903 1.00 22.14 H new ATOM 1357 N ALA A 88 -22.495 -43.358 -16.375 1.00 74.24 N ATOM 1358 CA ALA A 88 -22.450 -43.002 -14.963 1.00 11.24 C ATOM 1359 C ALA A 88 -23.202 -44.037 -14.133 1.00 40.14 C ATOM 1360 O ALA A 88 -22.667 -44.595 -13.169 1.00 31.23 O ATOM 1361 CB ALA A 88 -23.033 -41.608 -14.755 1.00 44.41 C ATOM 0 H ALA A 88 -22.991 -42.687 -16.961 1.00 74.24 H new ATOM 0 HA ALA A 88 -21.411 -42.992 -14.632 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -22.995 -41.352 -13.696 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -22.453 -40.882 -15.325 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -24.069 -41.592 -15.095 1.00 44.41 H new ATOM 1367 N THR A 89 -24.434 -44.311 -14.540 1.00 43.13 N ATOM 1368 CA THR A 89 -25.284 -45.264 -13.843 1.00 3.03 C ATOM 1369 C THR A 89 -24.668 -46.668 -13.864 1.00 72.34 C ATOM 1370 O THR A 89 -24.848 -47.449 -12.928 1.00 54.24 O ATOM 1371 CB THR A 89 -26.694 -45.300 -14.474 1.00 23.32 C ATOM 1372 OG1 THR A 89 -27.175 -43.959 -14.654 1.00 72.42 O ATOM 1373 CG2 THR A 89 -27.670 -46.074 -13.595 1.00 3.52 C ATOM 0 H THR A 89 -24.869 -43.882 -15.357 1.00 43.13 H new ATOM 0 HA THR A 89 -25.369 -44.937 -12.806 1.00 3.03 H new ATOM 0 HB THR A 89 -26.624 -45.804 -15.438 1.00 23.32 H new ATOM 0 HG1 THR A 89 -28.069 -43.983 -15.056 1.00 72.42 H new ATOM 0 HG21 THR A 89 -28.654 -46.083 -14.064 1.00 3.52 H new ATOM 0 HG22 THR A 89 -27.317 -47.098 -13.473 1.00 3.52 H new ATOM 0 HG23 THR A 89 -27.738 -45.595 -12.618 1.00 3.52 H new ATOM 1381 N GLN A 90 -23.933 -46.980 -14.934 1.00 45.13 N ATOM 1382 CA GLN A 90 -23.267 -48.276 -15.059 1.00 11.14 C ATOM 1383 C GLN A 90 -22.127 -48.402 -14.049 1.00 24.42 C ATOM 1384 O GLN A 90 -22.062 -49.375 -13.295 1.00 33.43 O ATOM 1385 CB GLN A 90 -22.736 -48.489 -16.487 1.00 21.33 C ATOM 1386 CG GLN A 90 -23.828 -48.738 -17.523 1.00 23.40 C ATOM 1387 CD GLN A 90 -24.615 -50.009 -17.248 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -24.267 -51.086 -17.732 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -25.683 -49.898 -16.470 1.00 52.44 N ATOM 0 H GLN A 90 -23.785 -46.353 -15.725 1.00 45.13 H new ATOM 0 HA GLN A 90 -24.006 -49.049 -14.848 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -22.160 -47.613 -16.784 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -22.050 -49.336 -16.486 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -24.511 -47.888 -17.538 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -23.377 -48.801 -18.513 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -25.942 -48.989 -16.086 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -26.246 -50.721 -16.255 1.00 52.44 H new ATOM 1398 N TYR A 91 -21.241 -47.411 -14.028 1.00 23.00 N ATOM 1399 CA TYR A 91 -20.083 -47.436 -13.135 1.00 63.04 C ATOM 1400 C TYR A 91 -20.481 -47.105 -11.694 1.00 53.41 C ATOM 1401 O TYR A 91 -19.682 -47.261 -10.768 1.00 53.15 O ATOM 1402 CB TYR A 91 -18.990 -46.490 -13.653 1.00 50.03 C ATOM 1403 CG TYR A 91 -18.268 -47.032 -14.881 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -16.992 -47.580 -14.779 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -18.871 -47.012 -16.136 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -16.341 -48.090 -15.889 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -18.224 -47.517 -17.248 1.00 43.30 C ATOM 1408 CZ TYR A 91 -16.962 -48.055 -17.121 1.00 51.11 C ATOM 1409 OH TYR A 91 -16.317 -48.565 -18.226 1.00 21.33 O ATOM 0 H TYR A 91 -21.301 -46.581 -14.618 1.00 23.00 H new ATOM 0 HA TYR A 91 -19.678 -48.448 -13.127 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -19.437 -45.526 -13.897 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -18.264 -46.313 -12.860 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -16.502 -47.608 -13.817 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -19.861 -46.595 -16.242 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -15.352 -48.513 -15.791 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -18.706 -47.490 -18.214 1.00 43.30 H new ATOM 0 HH TYR A 91 -16.890 -48.465 -19.015 1.00 21.33 H new ATOM 1419 N GLY A 92 -21.713 -46.638 -11.516 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.287 -46.541 -10.185 1.00 65.55 C ATOM 1421 C GLY A 92 -22.199 -45.154 -9.584 1.00 41.00 C ATOM 1422 O GLY A 92 -21.855 -45.002 -8.410 1.00 12.12 O ATOM 0 H GLY A 92 -22.325 -46.325 -12.270 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -23.333 -46.843 -10.227 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -21.778 -47.245 -9.527 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.511 -44.134 -10.374 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.586 -42.774 -9.858 1.00 13.34 C ATOM 1428 C VAL A 93 -23.900 -42.585 -9.105 1.00 30.02 C ATOM 1429 O VAL A 93 -24.973 -42.508 -9.710 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.474 -41.713 -10.976 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.710 -40.310 -10.412 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.111 -41.804 -11.660 1.00 13.21 C ATOM 0 H VAL A 93 -22.715 -44.222 -11.369 1.00 13.51 H new ATOM 0 HA VAL A 93 -21.739 -42.632 -9.187 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.244 -41.910 -11.722 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.627 -39.577 -11.214 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.707 -40.257 -9.974 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.965 -40.096 -9.646 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -21.047 -41.051 -12.445 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.324 -41.631 -10.926 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -20.989 -42.795 -12.097 1.00 13.21 H new ATOM 1442 N SER A 94 -23.805 -42.540 -7.785 1.00 15.51 N ATOM 1443 CA SER A 94 -24.974 -42.416 -6.925 1.00 63.12 C ATOM 1444 C SER A 94 -25.252 -40.946 -6.606 1.00 52.01 C ATOM 1445 O SER A 94 -26.402 -40.505 -6.602 1.00 33.01 O ATOM 1446 CB SER A 94 -24.736 -43.213 -5.638 1.00 45.35 C ATOM 1447 OG SER A 94 -25.897 -43.260 -4.824 1.00 22.42 O ATOM 0 H SER A 94 -22.920 -42.588 -7.280 1.00 15.51 H new ATOM 0 HA SER A 94 -25.847 -42.816 -7.440 1.00 63.12 H new ATOM 0 HB2 SER A 94 -24.428 -44.228 -5.891 1.00 45.35 H new ATOM 0 HB3 SER A 94 -23.917 -42.762 -5.077 1.00 45.35 H new ATOM 0 HG SER A 94 -25.708 -43.777 -4.014 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.187 -40.188 -6.365 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.302 -38.785 -5.984 1.00 52.44 C ATOM 1455 C ALA A 95 -23.143 -37.987 -6.560 1.00 22.24 C ATOM 1456 O ALA A 95 -22.096 -38.549 -6.881 1.00 22.21 O ATOM 1457 CB ALA A 95 -24.347 -38.649 -4.464 1.00 0.24 C ATOM 0 H ALA A 95 -23.227 -40.526 -6.428 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.231 -38.386 -6.391 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -24.433 -37.596 -4.195 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -25.207 -39.194 -4.075 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -23.433 -39.060 -4.035 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.336 -36.681 -6.685 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.316 -35.799 -7.243 1.00 41.53 C ATOM 1465 C ILE A 96 -21.538 -35.104 -6.120 1.00 24.21 C ATOM 1466 O ILE A 96 -22.117 -34.737 -5.097 1.00 22.54 O ATOM 1467 CB ILE A 96 -22.925 -34.728 -8.199 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -23.825 -33.715 -7.450 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -23.701 -35.409 -9.328 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.143 -34.274 -6.944 1.00 75.51 C ATOM 0 H ILE A 96 -24.194 -36.205 -6.406 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.639 -36.422 -7.827 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.097 -34.161 -8.625 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -23.268 -33.316 -6.602 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.035 -32.878 -8.116 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -24.122 -34.651 -9.989 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -23.028 -36.052 -9.895 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -24.507 -36.009 -8.905 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -25.700 -33.488 -6.434 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -25.728 -34.646 -7.786 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -24.949 -35.090 -6.248 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.207 -34.939 -6.272 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.439 -35.454 -7.414 1.00 50.44 C ATOM 1484 C PRO A 97 -19.094 -36.937 -7.237 1.00 2.04 C ATOM 1485 O PRO A 97 -19.463 -37.559 -6.233 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.157 -34.585 -7.411 1.00 4.13 C ATOM 1487 CG PRO A 97 -18.300 -33.633 -6.258 1.00 64.14 C ATOM 1488 CD PRO A 97 -19.334 -34.225 -5.342 1.00 35.15 C ATOM 0 HA PRO A 97 -19.994 -35.395 -8.350 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.267 -35.204 -7.297 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.051 -34.044 -8.352 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -17.350 -33.506 -5.740 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -18.608 -32.647 -6.605 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -18.889 -34.895 -4.607 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -19.873 -33.457 -4.788 1.00 35.15 H new ATOM 1496 N THR A 98 -18.389 -37.499 -8.207 1.00 51.24 N ATOM 1497 CA THR A 98 -17.993 -38.902 -8.161 1.00 74.00 C ATOM 1498 C THR A 98 -16.568 -39.064 -8.677 1.00 5.01 C ATOM 1499 O THR A 98 -16.286 -38.810 -9.851 1.00 43.51 O ATOM 1500 CB THR A 98 -18.952 -39.800 -8.980 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.287 -39.698 -8.461 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.508 -41.259 -8.938 1.00 73.42 C ATOM 0 H THR A 98 -18.077 -37.003 -9.042 1.00 51.24 H new ATOM 0 HA THR A 98 -18.044 -39.221 -7.120 1.00 74.00 H new ATOM 0 HB THR A 98 -18.930 -39.456 -10.014 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.264 -39.267 -7.581 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.200 -41.867 -9.521 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.506 -41.346 -9.357 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.501 -41.608 -7.905 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.685 -39.511 -7.794 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.261 -39.600 -8.085 1.00 62.41 C ATOM 1512 C ILE A 99 -13.823 -41.058 -8.210 1.00 30.42 C ATOM 1513 O ILE A 99 -13.825 -41.799 -7.228 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.436 -38.927 -6.957 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.788 -37.433 -6.844 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -11.940 -39.117 -7.192 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.384 -36.614 -8.050 1.00 13.43 C ATOM 0 H ILE A 99 -15.936 -39.822 -6.856 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.083 -39.086 -9.030 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.693 -39.409 -6.013 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -14.863 -37.334 -6.693 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.303 -37.022 -5.959 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.382 -38.637 -6.389 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.707 -40.182 -7.210 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.662 -38.669 -8.146 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.666 -35.573 -7.894 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.305 -36.681 -8.190 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -13.890 -36.998 -8.936 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.479 -41.467 -9.424 1.00 43.14 N ATOM 1530 CA LEU A 100 -12.894 -42.786 -9.659 1.00 54.31 C ATOM 1531 C LEU A 100 -11.375 -42.701 -9.558 1.00 72.51 C ATOM 1532 O LEU A 100 -10.742 -41.911 -10.260 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.296 -43.338 -11.038 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.754 -43.813 -11.171 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.734 -42.650 -11.021 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -14.970 -44.536 -12.502 1.00 53.13 C ATOM 0 H LEU A 100 -13.595 -40.904 -10.266 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.275 -43.467 -8.898 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.116 -42.564 -11.784 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -12.638 -44.173 -11.280 1.00 62.44 H new ATOM 0 HG LEU A 100 -14.948 -44.518 -10.362 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.755 -43.019 -11.120 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.607 -42.192 -10.040 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -15.540 -41.908 -11.796 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.007 -44.863 -12.574 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -14.745 -43.858 -13.325 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -14.312 -45.403 -12.556 1.00 53.13 H new ATOM 1548 N MET A 101 -10.801 -43.506 -8.676 1.00 11.43 N ATOM 1549 CA MET A 101 -9.356 -43.537 -8.473 1.00 4.10 C ATOM 1550 C MET A 101 -8.716 -44.571 -9.405 1.00 43.12 C ATOM 1551 O MET A 101 -9.277 -45.647 -9.630 1.00 65.12 O ATOM 1552 CB MET A 101 -9.038 -43.876 -7.003 1.00 31.24 C ATOM 1553 CG MET A 101 -9.575 -42.867 -5.997 1.00 63.31 C ATOM 1554 SD MET A 101 -8.577 -41.375 -5.866 1.00 12.02 S ATOM 1555 CE MET A 101 -9.411 -40.571 -4.500 1.00 54.53 C ATOM 0 H MET A 101 -11.319 -44.154 -8.082 1.00 11.43 H new ATOM 0 HA MET A 101 -8.944 -42.555 -8.705 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.451 -44.858 -6.771 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.957 -43.949 -6.885 1.00 31.24 H new ATOM 0 HG2 MET A 101 -10.591 -42.590 -6.280 1.00 63.31 H new ATOM 0 HG3 MET A 101 -9.635 -43.341 -5.017 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.671 -40.158 -3.814 1.00 54.53 H new ATOM 0 HE2 MET A 101 -10.041 -39.767 -4.881 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.029 -41.298 -3.973 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.559 -44.230 -9.962 1.00 13.11 N ATOM 1566 CA PHE A 102 -6.777 -45.153 -10.787 1.00 71.35 C ATOM 1567 C PHE A 102 -5.296 -44.974 -10.474 1.00 34.00 C ATOM 1568 O PHE A 102 -4.855 -43.857 -10.201 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.024 -44.901 -12.286 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.445 -45.163 -12.729 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.340 -44.116 -12.902 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -8.882 -46.458 -12.973 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.640 -44.356 -13.309 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.181 -46.701 -13.379 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.060 -45.650 -13.548 1.00 3.41 C ATOM 0 H PHE A 102 -7.135 -43.308 -9.857 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.087 -46.173 -10.558 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -6.767 -43.867 -12.517 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.351 -45.533 -12.866 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.017 -43.102 -12.717 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.199 -47.285 -12.844 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.326 -43.532 -13.440 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.508 -47.713 -13.564 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.074 -45.839 -13.867 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.524 -46.059 -10.498 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.084 -45.956 -10.241 1.00 2.12 C ATOM 1587 C LYS A 103 -2.300 -46.842 -11.205 1.00 22.12 C ATOM 1588 O LYS A 103 -2.398 -48.068 -11.157 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.757 -46.307 -8.777 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.307 -46.026 -8.381 1.00 43.03 C ATOM 1591 CD LYS A 103 -1.079 -46.150 -6.869 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.270 -47.577 -6.360 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.935 -47.697 -4.912 1.00 71.52 N1+ ATOM 0 H LYS A 103 -4.860 -47.003 -10.689 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.783 -44.922 -10.410 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.419 -45.741 -8.121 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -2.971 -47.363 -8.610 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.649 -46.721 -8.903 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -1.032 -45.022 -8.706 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -0.070 -45.815 -6.629 1.00 41.12 H new ATOM 0 HD3 LYS A 103 -1.768 -45.487 -6.346 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -2.303 -47.885 -6.521 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -0.641 -48.256 -6.936 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -1.077 -48.680 -4.603 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.058 -47.427 -4.762 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -1.552 -47.068 -4.360 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.543 -46.198 -12.094 1.00 41.43 N ATOM 1608 CA ASN A 104 -0.746 -46.890 -13.115 1.00 72.22 C ATOM 1609 C ASN A 104 -1.647 -47.755 -14.002 1.00 0.14 C ATOM 1610 O ASN A 104 -1.244 -48.810 -14.500 1.00 72.20 O ATOM 1611 CB ASN A 104 0.367 -47.738 -12.466 1.00 20.21 C ATOM 1612 CG ASN A 104 1.346 -48.298 -13.492 1.00 24.30 C ATOM 1613 OD1 ASN A 104 1.589 -47.685 -14.534 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.909 -49.464 -13.212 1.00 31.24 N ATOM 0 H ASN A 104 -1.463 -45.182 -12.129 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.268 -46.138 -13.743 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.911 -47.128 -11.745 1.00 20.21 H new ATOM 0 HB3 ASN A 104 -0.084 -48.561 -11.912 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.568 -49.883 -13.869 1.00 31.24 H new ATOM 0 HD22 ASN A 104 1.684 -49.943 -12.340 1.00 31.24 H new ATOM 1621 N GLY A 105 -2.876 -47.290 -14.202 1.00 32.31 N ATOM 1622 CA GLY A 105 -3.822 -48.001 -15.047 1.00 42.31 C ATOM 1623 C GLY A 105 -4.561 -49.096 -14.303 1.00 34.43 C ATOM 1624 O GLY A 105 -5.503 -49.684 -14.835 1.00 43.11 O ATOM 0 H GLY A 105 -3.237 -46.428 -13.792 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.544 -47.293 -15.454 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.291 -48.437 -15.893 1.00 42.31 H new ATOM 1628 N LYS A 106 -4.137 -49.374 -13.073 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.787 -50.385 -12.246 1.00 63.04 C ATOM 1630 C LYS A 106 -6.004 -49.781 -11.554 1.00 35.11 C ATOM 1631 O LYS A 106 -5.980 -48.601 -11.157 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.810 -50.945 -11.202 1.00 13.01 C ATOM 1633 CG LYS A 106 -4.402 -52.050 -10.326 1.00 24.15 C ATOM 1634 CD LYS A 106 -3.411 -52.526 -9.265 1.00 53.23 C ATOM 1635 CE LYS A 106 -2.134 -53.085 -9.886 1.00 13.04 C ATOM 1636 NZ LYS A 106 -1.139 -53.469 -8.854 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.345 -48.912 -12.627 1.00 12.22 H new ATOM 0 HA LYS A 106 -5.108 -51.205 -12.888 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.930 -51.334 -11.715 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.472 -50.130 -10.562 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -5.306 -51.683 -9.840 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -4.696 -52.892 -10.953 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -3.160 -51.696 -8.605 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -3.880 -53.293 -8.649 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -2.378 -53.954 -10.497 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -1.698 -52.340 -10.552 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -0.286 -53.844 -9.316 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -0.887 -52.634 -8.287 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -1.546 -54.198 -8.234 1.00 41.10 H new ATOM 1650 N LYS A 107 -7.058 -50.590 -11.418 1.00 44.23 N ATOM 1651 CA LYS A 107 -8.307 -50.143 -10.819 1.00 71.41 C ATOM 1652 C LYS A 107 -8.117 -49.810 -9.340 1.00 52.45 C ATOM 1653 O LYS A 107 -7.553 -50.591 -8.571 1.00 11.33 O ATOM 1654 CB LYS A 107 -9.418 -51.194 -10.987 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.769 -50.751 -10.421 1.00 42.24 C ATOM 1656 CD LYS A 107 -11.298 -49.503 -11.125 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.521 -48.919 -10.421 1.00 14.53 C ATOM 1658 NZ LYS A 107 -13.659 -49.876 -10.365 1.00 70.01 N1+ ATOM 0 H LYS A 107 -7.065 -51.565 -11.719 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.612 -49.238 -11.343 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -9.534 -51.422 -12.047 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -9.112 -52.117 -10.494 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -11.491 -51.561 -10.527 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.668 -50.551 -9.354 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -10.511 -48.750 -11.167 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -11.557 -49.751 -12.154 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -12.247 -48.626 -9.407 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -12.837 -48.014 -10.940 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -14.463 -49.431 -9.878 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -13.941 -50.137 -11.331 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -13.369 -50.730 -9.846 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.601 -48.640 -8.975 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.488 -48.082 -7.636 1.00 60.42 C ATOM 1674 C LEU A 108 -9.855 -47.587 -7.183 1.00 41.03 C ATOM 1675 O LEU A 108 -10.796 -47.537 -7.982 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.412 -46.985 -7.545 1.00 52.31 C ATOM 1677 CG LEU A 108 -6.056 -47.445 -6.973 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.243 -48.085 -5.598 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.354 -48.409 -7.922 1.00 11.12 C ATOM 0 H LEU A 108 -9.101 -48.029 -9.621 1.00 60.01 H new ATOM 0 HA LEU A 108 -8.156 -48.868 -6.958 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.248 -46.575 -8.542 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.794 -46.174 -6.925 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.423 -46.564 -6.863 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.275 -48.403 -5.210 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -6.686 -47.359 -4.916 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.901 -48.950 -5.686 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.401 -48.715 -7.490 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.981 -49.287 -8.078 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.178 -47.915 -8.878 1.00 11.12 H new ATOM 1691 N SER A 109 -9.971 -47.259 -5.907 1.00 60.43 N ATOM 1692 CA SER A 109 -11.258 -47.114 -5.241 1.00 11.20 C ATOM 1693 C SER A 109 -12.024 -45.882 -5.737 1.00 20.34 C ATOM 1694 O SER A 109 -11.541 -45.125 -6.569 1.00 72.41 O ATOM 1695 CB SER A 109 -10.986 -46.958 -3.741 1.00 32.42 C ATOM 1696 OG SER A 109 -11.017 -48.208 -3.064 1.00 42.25 O ATOM 0 H SER A 109 -9.171 -47.084 -5.299 1.00 60.43 H new ATOM 0 HA SER A 109 -11.869 -47.991 -5.456 1.00 11.20 H new ATOM 0 HB2 SER A 109 -10.012 -46.490 -3.595 1.00 32.42 H new ATOM 0 HB3 SER A 109 -11.729 -46.290 -3.305 1.00 32.42 H new ATOM 0 HG SER A 109 -10.838 -48.068 -2.111 1.00 42.25 H new ATOM 1702 N GLN A 110 -13.245 -45.710 -5.243 1.00 61.23 N ATOM 1703 CA GLN A 110 -14.146 -44.702 -5.779 1.00 74.54 C ATOM 1704 C GLN A 110 -14.883 -43.992 -4.671 1.00 60.21 C ATOM 1705 O GLN A 110 -15.437 -44.609 -3.758 1.00 10.33 O ATOM 1706 CB GLN A 110 -15.118 -45.366 -6.764 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.027 -44.405 -7.521 1.00 71.21 C ATOM 1708 CD GLN A 110 -16.887 -45.123 -8.549 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -16.493 -46.157 -9.095 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -18.056 -44.578 -8.834 1.00 4.42 N ATOM 0 H GLN A 110 -13.631 -46.256 -4.473 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.567 -43.947 -6.311 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.541 -45.942 -7.487 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.740 -46.074 -6.216 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.670 -43.881 -6.814 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.420 -43.650 -8.020 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -18.348 -43.722 -8.362 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.666 -45.013 -9.526 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.865 -42.682 -4.773 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.410 -41.813 -3.767 1.00 60.35 C ATOM 1721 C VAL A 111 -16.662 -41.127 -4.302 1.00 22.32 C ATOM 1722 O VAL A 111 -16.583 -40.260 -5.175 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.358 -40.760 -3.350 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -14.751 -40.127 -2.039 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -12.963 -41.383 -3.253 1.00 44.03 C ATOM 0 H VAL A 111 -14.464 -42.188 -5.571 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.678 -42.403 -2.891 1.00 60.35 H new ATOM 0 HB VAL A 111 -14.323 -39.987 -4.117 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -14.004 -39.387 -1.754 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -15.721 -39.641 -2.146 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -14.813 -40.895 -1.268 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -12.243 -40.619 -2.958 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -12.971 -42.180 -2.510 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -12.680 -41.794 -4.222 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.814 -41.549 -3.804 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.093 -41.000 -4.233 1.00 62.14 C ATOM 1737 C ILE A 112 -19.625 -40.028 -3.184 1.00 15.21 C ATOM 1738 O ILE A 112 -19.815 -40.401 -2.024 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.133 -42.125 -4.460 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.598 -43.160 -5.467 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.458 -41.537 -4.942 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.515 -44.349 -5.667 1.00 61.34 C ATOM 0 H ILE A 112 -17.890 -42.278 -3.095 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.933 -40.475 -5.174 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.308 -42.632 -3.511 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.439 -42.670 -6.428 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.626 -43.516 -5.126 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.178 -42.341 -5.097 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.843 -40.845 -4.193 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.300 -41.006 -5.880 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -20.071 -45.034 -6.390 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.655 -44.865 -4.717 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.480 -44.005 -6.039 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.857 -38.788 -3.593 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.357 -37.774 -2.683 1.00 14.45 C ATOM 1756 C GLY A 113 -19.283 -36.778 -2.300 1.00 3.03 C ATOM 1757 O GLY A 113 -18.097 -37.115 -2.259 1.00 60.32 O ATOM 0 H GLY A 113 -19.706 -38.463 -4.548 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.190 -37.248 -3.149 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.745 -38.253 -1.784 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.692 -35.549 -2.024 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.760 -34.495 -1.659 1.00 24.52 C ATOM 1763 C ALA A 114 -18.254 -34.678 -0.228 1.00 0.33 C ATOM 1764 O ALA A 114 -18.830 -34.137 0.716 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.420 -33.131 -1.827 1.00 15.11 C ATOM 0 H ALA A 114 -20.669 -35.257 -2.046 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.899 -34.553 -2.325 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.713 -32.348 -1.551 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.721 -32.998 -2.866 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.298 -33.070 -1.184 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.201 -35.477 -0.068 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.563 -35.651 1.237 1.00 1.22 C ATOM 1773 C ASP A 115 -15.049 -35.517 1.095 1.00 22.24 C ATOM 1774 O ASP A 115 -14.340 -36.491 0.805 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.929 -37.003 1.864 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.615 -37.044 3.354 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -17.512 -36.714 4.165 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -15.469 -37.376 3.724 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.772 -36.013 -0.822 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.930 -34.871 1.904 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -17.991 -37.198 1.712 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.383 -37.798 1.356 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.568 -34.294 1.285 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.164 -33.962 1.063 1.00 23.23 C ATOM 1785 C ILE A 116 -12.239 -34.800 1.948 1.00 50.32 C ATOM 1786 O ILE A 116 -11.132 -35.151 1.540 1.00 24.53 O ATOM 1787 CB ILE A 116 -12.906 -32.452 1.306 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.457 -32.075 0.952 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.227 -32.068 2.749 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.105 -32.310 -0.501 1.00 62.15 C ATOM 0 H ILE A 116 -15.137 -33.507 1.596 1.00 10.14 H new ATOM 0 HA ILE A 116 -12.940 -34.195 0.022 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.571 -31.891 0.650 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.296 -31.024 1.190 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.777 -32.652 1.579 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -13.038 -31.004 2.893 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.275 -32.282 2.958 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.597 -32.644 3.427 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.068 -32.021 -0.676 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.233 -33.366 -0.740 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -11.760 -31.712 -1.135 1.00 62.15 H new ATOM 1802 N SER A 117 -12.706 -35.138 3.148 1.00 64.32 N ATOM 1803 CA SER A 117 -11.908 -35.922 4.084 1.00 24.52 C ATOM 1804 C SER A 117 -11.641 -37.314 3.508 1.00 72.20 C ATOM 1805 O SER A 117 -10.497 -37.783 3.485 1.00 63.13 O ATOM 1806 CB SER A 117 -12.615 -36.024 5.444 1.00 2.24 C ATOM 1807 OG SER A 117 -11.775 -36.623 6.419 1.00 54.32 O ATOM 0 H SER A 117 -13.631 -34.881 3.493 1.00 64.32 H new ATOM 0 HA SER A 117 -10.953 -35.419 4.236 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.911 -35.029 5.778 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.528 -36.610 5.338 1.00 2.24 H new ATOM 0 HG SER A 117 -12.251 -36.673 7.274 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.700 -37.958 3.023 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.586 -39.276 2.414 1.00 23.25 C ATOM 1815 C LYS A 118 -11.692 -39.197 1.179 1.00 51.14 C ATOM 1816 O LYS A 118 -10.825 -40.050 0.972 1.00 44.54 O ATOM 1817 CB LYS A 118 -13.973 -39.815 2.033 1.00 55.14 C ATOM 1818 CG LYS A 118 -13.985 -41.296 1.651 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.631 -42.190 2.842 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.672 -43.672 2.485 1.00 45.55 C ATOM 1821 NZ LYS A 118 -12.610 -44.051 1.520 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.649 -37.585 3.041 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.139 -39.960 3.135 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.653 -39.662 2.871 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.360 -39.232 1.197 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -14.971 -41.567 1.273 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.275 -41.469 0.842 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.635 -41.933 3.203 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -14.326 -41.996 3.659 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -13.562 -44.265 3.393 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -14.647 -43.914 2.062 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -12.647 -45.076 1.348 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -12.758 -43.544 0.624 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -11.680 -43.799 1.911 1.00 20.35 H new ATOM 1835 N ILE A 119 -11.898 -38.153 0.372 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.114 -37.958 -0.849 1.00 2.21 C ATOM 1837 C ILE A 119 -9.618 -37.864 -0.535 1.00 62.22 C ATOM 1838 O ILE A 119 -8.819 -38.652 -1.049 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.560 -36.684 -1.619 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.036 -36.801 -2.039 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.671 -36.453 -2.844 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.573 -35.581 -2.761 1.00 40.14 C ATOM 0 H ILE A 119 -12.599 -37.432 0.542 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.293 -38.828 -1.481 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.455 -35.827 -0.954 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.151 -37.672 -2.685 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.642 -36.980 -1.151 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.000 -35.556 -3.369 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.637 -36.327 -2.524 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.742 -37.311 -3.512 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.619 -35.744 -3.022 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.493 -34.709 -2.112 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -12.994 -35.411 -3.669 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.246 -36.923 0.336 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.840 -36.700 0.679 1.00 1.52 C ATOM 1856 C ILE A 120 -7.252 -37.951 1.338 1.00 44.53 C ATOM 1857 O ILE A 120 -6.078 -38.289 1.123 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.666 -35.445 1.596 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.180 -35.024 1.729 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.284 -35.676 2.976 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.378 -35.794 2.765 1.00 43.13 C ATOM 0 H ILE A 120 -9.899 -36.304 0.816 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.292 -36.504 -0.243 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.199 -34.626 1.113 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.698 -35.142 0.759 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.141 -33.963 1.978 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -8.147 -34.786 3.590 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.349 -35.882 2.868 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.797 -36.526 3.455 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.353 -35.424 2.780 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.828 -35.657 3.748 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.378 -36.854 2.511 1.00 43.13 H new ATOM 1873 N SER A 121 -8.078 -38.646 2.117 1.00 33.33 N ATOM 1874 CA SER A 121 -7.663 -39.886 2.760 1.00 32.12 C ATOM 1875 C SER A 121 -7.210 -40.892 1.701 1.00 12.31 C ATOM 1876 O SER A 121 -6.100 -41.432 1.771 1.00 23.30 O ATOM 1877 CB SER A 121 -8.811 -40.466 3.602 1.00 43.12 C ATOM 1878 OG SER A 121 -8.381 -41.581 4.368 1.00 42.33 O ATOM 0 H SER A 121 -9.039 -38.369 2.317 1.00 33.33 H new ATOM 0 HA SER A 121 -6.826 -39.677 3.427 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.202 -39.695 4.267 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.629 -40.767 2.947 1.00 43.12 H new ATOM 0 HG SER A 121 -9.133 -41.926 4.894 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.061 -41.113 0.700 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.742 -42.027 -0.391 1.00 72.13 C ATOM 1886 C GLU A 122 -6.506 -41.549 -1.160 1.00 73.04 C ATOM 1887 O GLU A 122 -5.674 -42.357 -1.583 1.00 20.21 O ATOM 1888 CB GLU A 122 -8.934 -42.164 -1.344 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.187 -42.736 -0.691 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.966 -44.123 -0.107 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.907 -44.255 1.134 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.870 -45.093 -0.885 1.00 70.43 O1- ATOM 0 H GLU A 122 -8.977 -40.670 0.624 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.524 -43.004 0.041 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.168 -41.184 -1.760 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.647 -42.804 -2.179 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.519 -42.063 0.099 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -10.988 -42.781 -1.429 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.387 -40.231 -1.327 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.254 -39.657 -2.051 1.00 32.41 C ATOM 1901 C ILE A 123 -3.930 -40.052 -1.395 1.00 5.24 C ATOM 1902 O ILE A 123 -3.069 -40.661 -2.037 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.338 -38.109 -2.145 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.549 -37.675 -2.990 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.050 -37.537 -2.737 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -6.820 -36.191 -2.945 1.00 15.35 C ATOM 0 H ILE A 123 -7.056 -39.547 -0.974 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.297 -40.062 -3.062 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.465 -37.717 -1.136 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.384 -37.974 -4.025 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.434 -38.208 -2.641 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.127 -36.451 -2.795 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.206 -37.807 -2.102 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -3.897 -37.944 -3.737 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.687 -35.961 -3.564 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.017 -35.888 -1.917 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -5.952 -35.651 -3.322 1.00 15.35 H new ATOM 1918 N ASN A 124 -3.779 -39.752 -0.104 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.526 -40.054 0.591 1.00 42.31 C ATOM 1920 C ASN A 124 -2.350 -41.566 0.718 1.00 20.40 C ATOM 1921 O ASN A 124 -1.229 -42.077 0.692 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.453 -39.381 1.975 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.383 -39.998 3.007 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.563 -39.421 3.168 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -3.033 -40.973 3.671 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.494 -39.309 0.473 1.00 61.24 H new ATOM 0 HA ASN A 124 -1.710 -39.646 -0.006 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.428 -39.438 2.343 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.695 -38.324 1.868 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -2.115 -41.391 3.518 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.661 -41.363 4.374 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.475 -42.273 0.828 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.480 -43.736 0.873 1.00 72.20 C ATOM 1934 C ASN A 125 -2.821 -44.315 -0.382 1.00 71.23 C ATOM 1935 O ASN A 125 -2.014 -45.244 -0.305 1.00 34.51 O ATOM 1936 CB ASN A 125 -4.934 -44.240 1.003 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.067 -45.758 1.108 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.273 -46.515 0.557 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -6.089 -46.215 1.818 1.00 44.23 N ATOM 0 H ASN A 125 -4.402 -41.852 0.888 1.00 31.14 H new ATOM 0 HA ASN A 125 -2.907 -44.069 1.738 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.386 -43.786 1.885 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.504 -43.896 0.140 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -6.232 -47.220 1.918 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -6.732 -45.562 2.265 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.156 -43.746 -1.537 1.00 24.21 N ATOM 1947 CA ASN A 126 -2.648 -44.242 -2.819 1.00 34.20 C ATOM 1948 C ASN A 126 -1.216 -43.795 -3.084 1.00 61.32 C ATOM 1949 O ASN A 126 -0.416 -44.560 -3.630 1.00 63.21 O ATOM 1950 CB ASN A 126 -3.549 -43.792 -3.971 1.00 71.20 C ATOM 1951 CG ASN A 126 -4.742 -44.706 -4.161 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -4.653 -45.700 -4.872 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -5.860 -44.373 -3.538 1.00 41.12 N ATOM 0 H ASN A 126 -3.777 -42.941 -1.615 1.00 24.21 H new ATOM 0 HA ASN A 126 -2.653 -45.330 -2.758 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -3.899 -42.777 -3.780 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -2.968 -43.761 -4.893 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -6.693 -44.953 -3.640 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -5.889 -43.536 -2.956 1.00 41.12 H new ATOM 1960 N ILE A 127 -0.900 -42.556 -2.719 1.00 24.11 N ATOM 1961 CA ILE A 127 0.439 -42.009 -2.939 1.00 45.52 C ATOM 1962 C ILE A 127 1.500 -42.866 -2.247 1.00 24.03 C ATOM 1963 O ILE A 127 2.513 -43.225 -2.848 1.00 24.55 O ATOM 1964 CB ILE A 127 0.553 -40.549 -2.431 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.393 -39.630 -3.223 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.998 -40.046 -2.528 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.383 -38.192 -2.746 1.00 54.51 C ATOM 0 H ILE A 127 -1.550 -41.911 -2.270 1.00 24.11 H new ATOM 0 HA ILE A 127 0.610 -42.018 -4.015 1.00 45.52 H new ATOM 0 HB ILE A 127 0.259 -40.530 -1.382 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.114 -39.656 -4.276 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.408 -40.020 -3.152 1.00 53.10 H new ATOM 0 HG21 ILE A 127 2.051 -39.019 -2.166 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.645 -40.679 -1.921 1.00 51.22 H new ATOM 0 HG23 ILE A 127 2.327 -40.081 -3.567 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.073 -37.603 -3.350 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.691 -38.153 -1.701 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.623 -37.784 -2.843 1.00 54.51 H new ATOM 1979 N ASN A 128 1.250 -43.195 -0.985 1.00 64.33 N ATOM 1980 CA ASN A 128 2.210 -43.945 -0.183 1.00 71.43 C ATOM 1981 C ASN A 128 2.027 -45.451 -0.390 1.00 23.15 C ATOM 1982 O ASN A 128 1.134 -46.044 0.249 1.00 65.33 O ATOM 1983 CB ASN A 128 2.069 -43.584 1.304 1.00 24.12 C ATOM 1984 CG ASN A 128 2.367 -42.118 1.584 1.00 23.51 C ATOM 1985 OD1 ASN A 128 3.513 -41.734 1.822 1.00 5.34 O ATOM 1986 ND2 ASN A 128 1.335 -41.287 1.573 1.00 22.35 N ATOM 1987 OXT ASN A 128 2.789 -46.043 -1.184 1.00 0.00 O1- ATOM 0 H ASN A 128 0.389 -42.954 -0.494 1.00 64.33 H new ATOM 0 HA ASN A 128 3.214 -43.674 -0.509 1.00 71.43 H new ATOM 0 HB2 ASN A 128 1.056 -43.814 1.635 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.745 -44.206 1.890 1.00 24.12 H new ATOM 0 HD21 ASN A 128 1.477 -40.295 1.766 1.00 22.35 H new ATOM 0 HD22 ASN A 128 0.399 -41.639 1.372 1.00 22.35 H new TER 1994 ASN A 128