USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 767 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 84 GLN : amide:sc= -1.62! C(o=-0.41!,f=-3.3!) USER MOD Set 1.2: A 87 CYS SG : rot 60:sc= 1.22 USER MOD Set 2.1: A 69 LYS NZ :NH3+ 148:sc= -3.48! (180deg=-7.42!) USER MOD Set 2.2: A 76 THR OG1 : rot -95:sc= 1.37 USER MOD Set 3.1: A 39 ASN : amide:sc= -2.61 K(o=-2.6,f=-1.3) USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -138:sc= -0.303 (180deg=-1.23) USER MOD Set 4.2: A 85 ASN : amide:sc= -8.6! C(o=-8.9!,f=-14!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.129 (180deg=-0.704) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.2 (180deg=0.096) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 7 MET CE :methyl -161:sc= 0 (180deg=-0.102) USER MOD Single : A 9 GLN : amide:sc= -0.149 X(o=-0.15,f=0.18) USER MOD Single : A 10 THR OG1 : rot -119:sc= -2.99! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -27:sc= -1.6 USER MOD Single : A 19 SER OG : rot 146:sc= 0.969 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 24 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.858 K(o=-0.86,f=-0.0061) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 59:sc= -0.107 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 37 GLN : amide:sc= 1 K(o=1,f=-0.2) USER MOD Single : A 45 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.22) USER MOD Single : A 49 GLN : amide:sc= -1.99! K(o=-2!,f=-0.36) USER MOD Single : A 55 THR OG1 : rot -80:sc= -0.456 USER MOD Single : A 62 GLN : amide:sc= -6.11! C(o=-6.1!,f=-7.4!) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.574) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 2.34 (180deg=0.459) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0.476 (180deg=-0.00959) USER MOD Single : A 74 MET CE :methyl -159:sc= -0.274 (180deg=-1.04) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -147:sc= -0.26 (180deg=-1.06) USER MOD Single : A 90 MET CE :methyl -112:sc= -0.0862 (180deg=-2.6!) USER MOD Single : A 95 LYS NZ :NH3+ -144:sc= -0.68 (180deg=-1.53!) USER MOD Single : A 96 SER OG : rot 177:sc= 0.261 USER MOD Single : A 97 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.254 10.882 -14.053 1.00 4.19 N ATOM 2 CA MET A 1 7.070 11.774 -14.095 1.00 3.57 C ATOM 3 C MET A 1 6.436 11.910 -12.713 1.00 2.58 C ATOM 4 O MET A 1 5.802 12.923 -12.409 1.00 2.86 O ATOM 5 CB MET A 1 6.022 11.269 -15.102 1.00 4.32 C ATOM 6 CG MET A 1 5.288 9.999 -14.682 1.00 5.05 C ATOM 7 SD MET A 1 6.309 8.517 -14.781 1.00 6.03 S ATOM 8 CE MET A 1 6.582 8.406 -16.549 1.00 6.63 C ATOM 0 H1 MET A 1 8.920 11.154 -14.804 1.00 4.19 H new ATOM 0 H2 MET A 1 8.721 10.969 -13.128 1.00 4.19 H new ATOM 0 H3 MET A 1 7.952 9.897 -14.197 1.00 4.19 H new ATOM 0 HA MET A 1 7.418 12.754 -14.421 1.00 3.57 H new ATOM 0 HB2 MET A 1 5.288 12.058 -15.267 1.00 4.32 H new ATOM 0 HB3 MET A 1 6.515 11.087 -16.057 1.00 4.32 H new ATOM 0 HG2 MET A 1 4.929 10.117 -13.659 1.00 5.05 H new ATOM 0 HG3 MET A 1 4.410 9.869 -15.315 1.00 5.05 H new ATOM 0 HE1 MET A 1 6.842 7.381 -16.813 1.00 6.63 H new ATOM 0 HE2 MET A 1 5.674 8.697 -17.076 1.00 6.63 H new ATOM 0 HE3 MET A 1 7.396 9.072 -16.834 1.00 6.63 H new ATOM 20 N ALA A 2 6.604 10.893 -11.870 1.00 2.10 N ATOM 21 CA ALA A 2 5.992 10.893 -10.549 1.00 1.89 C ATOM 22 C ALA A 2 6.781 10.013 -9.590 1.00 1.69 C ATOM 23 O ALA A 2 7.928 9.664 -9.871 1.00 2.38 O ATOM 24 CB ALA A 2 4.546 10.422 -10.635 1.00 2.89 C ATOM 0 H ALA A 2 7.157 10.062 -12.080 1.00 2.10 H new ATOM 0 HA ALA A 2 6.004 11.913 -10.165 1.00 1.89 H new ATOM 0 HB1 ALA A 2 4.102 10.427 -9.640 1.00 2.89 H new ATOM 0 HB2 ALA A 2 3.984 11.091 -11.287 1.00 2.89 H new ATOM 0 HB3 ALA A 2 4.516 9.411 -11.040 1.00 2.89 H new ATOM 30 N LYS A 3 6.162 9.667 -8.465 1.00 1.22 N ATOM 31 CA LYS A 3 6.779 8.797 -7.467 1.00 0.97 C ATOM 32 C LYS A 3 7.372 7.544 -8.104 1.00 1.06 C ATOM 33 O LYS A 3 6.665 6.775 -8.752 1.00 1.96 O ATOM 34 CB LYS A 3 5.746 8.379 -6.422 1.00 0.75 C ATOM 35 CG LYS A 3 6.278 7.381 -5.405 1.00 0.46 C ATOM 36 CD LYS A 3 5.151 6.554 -4.814 1.00 0.42 C ATOM 37 CE LYS A 3 5.076 6.690 -3.305 1.00 0.29 C ATOM 38 NZ LYS A 3 4.894 8.098 -2.858 1.00 0.44 N ATOM 0 H LYS A 3 5.223 9.980 -8.220 1.00 1.22 H new ATOM 0 HA LYS A 3 7.583 9.362 -6.995 1.00 0.97 H new ATOM 0 HB2 LYS A 3 5.393 9.267 -5.897 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.884 7.944 -6.929 1.00 0.75 H new ATOM 0 HG2 LYS A 3 7.005 6.723 -5.881 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.801 7.911 -4.609 1.00 0.46 H new ATOM 0 HD2 LYS A 3 4.204 6.866 -5.253 1.00 0.42 H new ATOM 0 HD3 LYS A 3 5.294 5.506 -5.077 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.249 6.086 -2.932 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.988 6.289 -2.863 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.501 8.282 -2.034 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 5.154 8.744 -3.631 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 3.899 8.253 -2.597 1.00 0.44 H new ATOM 52 N THR A 4 8.668 7.362 -7.906 1.00 0.55 N ATOM 53 CA THR A 4 9.394 6.183 -8.366 1.00 0.59 C ATOM 54 C THR A 4 10.736 6.097 -7.647 1.00 0.59 C ATOM 55 O THR A 4 10.957 5.207 -6.823 1.00 0.84 O ATOM 56 CB THR A 4 9.642 6.209 -9.892 1.00 0.79 C ATOM 57 OG1 THR A 4 9.679 7.566 -10.361 1.00 1.37 O ATOM 58 CG2 THR A 4 8.577 5.425 -10.645 1.00 1.30 C ATOM 0 H THR A 4 9.255 8.036 -7.415 1.00 0.55 H new ATOM 0 HA THR A 4 8.779 5.312 -8.139 1.00 0.59 H new ATOM 0 HB THR A 4 10.604 5.733 -10.083 1.00 0.79 H new ATOM 0 HG1 THR A 4 9.838 7.574 -11.328 1.00 1.37 H new ATOM 0 HG21 THR A 4 8.784 5.465 -11.714 1.00 1.30 H new ATOM 0 HG22 THR A 4 8.586 4.387 -10.312 1.00 1.30 H new ATOM 0 HG23 THR A 4 7.597 5.860 -10.448 1.00 1.30 H new ATOM 66 N GLU A 5 11.603 7.057 -7.932 1.00 0.65 N ATOM 67 CA GLU A 5 12.920 7.123 -7.321 1.00 0.77 C ATOM 68 C GLU A 5 12.851 7.841 -5.982 1.00 0.71 C ATOM 69 O GLU A 5 13.107 9.042 -5.888 1.00 1.25 O ATOM 70 CB GLU A 5 13.906 7.825 -8.255 1.00 1.05 C ATOM 71 CG GLU A 5 14.331 6.971 -9.436 1.00 1.70 C ATOM 72 CD GLU A 5 15.182 5.792 -9.014 1.00 2.55 C ATOM 73 OE1 GLU A 5 14.627 4.799 -8.507 1.00 3.43 O ATOM 74 OE2 GLU A 5 16.421 5.857 -9.175 1.00 2.70 O ATOM 0 H GLU A 5 11.413 7.811 -8.592 1.00 0.65 H new ATOM 0 HA GLU A 5 13.272 6.106 -7.148 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.452 8.744 -8.626 1.00 1.05 H new ATOM 0 HB3 GLU A 5 14.791 8.113 -7.687 1.00 1.05 H new ATOM 0 HG2 GLU A 5 13.445 6.609 -9.958 1.00 1.70 H new ATOM 0 HG3 GLU A 5 14.889 7.585 -10.143 1.00 1.70 H new ATOM 81 N GLU A 6 12.492 7.091 -4.955 1.00 0.58 N ATOM 82 CA GLU A 6 12.346 7.630 -3.611 1.00 0.45 C ATOM 83 C GLU A 6 12.934 6.666 -2.593 1.00 0.38 C ATOM 84 O GLU A 6 14.101 6.765 -2.216 1.00 0.44 O ATOM 85 CB GLU A 6 10.870 7.822 -3.270 1.00 0.45 C ATOM 86 CG GLU A 6 10.131 8.888 -4.060 1.00 0.66 C ATOM 87 CD GLU A 6 10.424 10.299 -3.593 1.00 1.75 C ATOM 88 OE1 GLU A 6 9.729 10.770 -2.668 1.00 2.53 O ATOM 89 OE2 GLU A 6 11.320 10.951 -4.164 1.00 2.17 O ATOM 0 H GLU A 6 12.293 6.093 -5.027 1.00 0.58 H new ATOM 0 HA GLU A 6 12.868 8.586 -3.578 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.358 6.871 -3.417 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.792 8.066 -2.210 1.00 0.45 H new ATOM 0 HG2 GLU A 6 10.399 8.799 -5.113 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.059 8.705 -3.987 1.00 0.66 H new ATOM 96 N MET A 7 12.093 5.714 -2.185 1.00 0.32 N ATOM 97 CA MET A 7 12.420 4.743 -1.150 1.00 0.29 C ATOM 98 C MET A 7 13.000 5.405 0.095 1.00 0.34 C ATOM 99 O MET A 7 14.086 5.043 0.548 1.00 0.70 O ATOM 100 CB MET A 7 13.357 3.655 -1.679 1.00 0.35 C ATOM 101 CG MET A 7 12.616 2.501 -2.325 1.00 0.30 C ATOM 102 SD MET A 7 13.713 1.352 -3.175 1.00 0.45 S ATOM 103 CE MET A 7 12.543 0.114 -3.728 1.00 1.60 C ATOM 0 H MET A 7 11.156 5.598 -2.571 1.00 0.32 H new ATOM 0 HA MET A 7 11.484 4.268 -0.858 1.00 0.29 H new ATOM 0 HB2 MET A 7 14.041 4.093 -2.406 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.965 3.276 -0.858 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.055 1.962 -1.561 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.889 2.895 -3.036 1.00 0.30 H new ATOM 0 HE1 MET A 7 13.074 -0.808 -3.964 1.00 1.60 H new ATOM 0 HE2 MET A 7 11.816 -0.077 -2.939 1.00 1.60 H new ATOM 0 HE3 MET A 7 12.027 0.473 -4.618 1.00 1.60 H new ATOM 113 N VAL A 8 12.262 6.381 0.637 1.00 0.31 N ATOM 114 CA VAL A 8 12.661 7.055 1.868 1.00 0.30 C ATOM 115 C VAL A 8 11.630 8.130 2.278 1.00 0.31 C ATOM 116 O VAL A 8 11.909 9.328 2.273 1.00 0.46 O ATOM 117 CB VAL A 8 14.091 7.660 1.726 1.00 0.39 C ATOM 118 CG1 VAL A 8 14.172 8.642 0.565 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.569 8.312 3.015 1.00 1.12 C ATOM 0 H VAL A 8 11.386 6.718 0.239 1.00 0.31 H new ATOM 0 HA VAL A 8 12.689 6.313 2.666 1.00 0.30 H new ATOM 0 HB VAL A 8 14.760 6.826 1.512 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.183 9.043 0.497 1.00 1.50 H new ATOM 0 HG12 VAL A 8 13.922 8.129 -0.364 1.00 1.50 H new ATOM 0 HG13 VAL A 8 13.468 9.458 0.729 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.569 8.719 2.868 1.00 1.12 H new ATOM 0 HG22 VAL A 8 13.887 9.116 3.291 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.594 7.568 3.812 1.00 1.12 H new ATOM 129 N GLN A 9 10.418 7.693 2.629 1.00 0.23 N ATOM 130 CA GLN A 9 9.420 8.608 3.172 1.00 0.24 C ATOM 131 C GLN A 9 8.991 8.197 4.588 1.00 0.26 C ATOM 132 O GLN A 9 9.270 8.913 5.546 1.00 0.38 O ATOM 133 CB GLN A 9 8.217 8.702 2.241 1.00 0.26 C ATOM 134 CG GLN A 9 8.497 9.475 0.962 1.00 0.31 C ATOM 135 CD GLN A 9 8.800 10.942 1.206 1.00 1.15 C ATOM 136 OE1 GLN A 9 9.951 11.324 1.412 1.00 1.97 O ATOM 137 NE2 GLN A 9 7.771 11.769 1.179 1.00 1.86 N ATOM 0 H GLN A 9 10.110 6.724 2.547 1.00 0.23 H new ATOM 0 HA GLN A 9 9.876 9.595 3.244 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.888 7.695 1.983 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.394 9.180 2.772 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.341 9.017 0.445 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.635 9.394 0.300 1.00 0.31 H new ATOM 0 HE21 GLN A 9 6.832 11.410 1.005 1.00 1.86 H new ATOM 0 HE22 GLN A 9 7.915 12.767 1.333 1.00 1.86 H new ATOM 146 N THR A 10 8.342 7.042 4.727 1.00 0.21 N ATOM 147 CA THR A 10 7.902 6.568 6.042 1.00 0.21 C ATOM 148 C THR A 10 8.711 5.349 6.479 1.00 0.21 C ATOM 149 O THR A 10 8.583 4.271 5.903 1.00 0.21 O ATOM 150 CB THR A 10 6.402 6.214 6.044 1.00 0.23 C ATOM 151 OG1 THR A 10 5.646 7.316 5.515 1.00 0.26 O ATOM 152 CG2 THR A 10 5.917 5.905 7.455 1.00 0.28 C ATOM 0 H THR A 10 8.110 6.420 3.953 1.00 0.21 H new ATOM 0 HA THR A 10 8.068 7.383 6.747 1.00 0.21 H new ATOM 0 HB THR A 10 6.258 5.329 5.424 1.00 0.23 H new ATOM 0 HG1 THR A 10 5.022 7.642 6.197 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.856 5.658 7.429 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.476 5.059 7.855 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.072 6.776 8.092 1.00 0.28 H new ATOM 160 N GLU A 11 9.565 5.539 7.478 1.00 0.25 N ATOM 161 CA GLU A 11 10.468 4.487 7.933 1.00 0.28 C ATOM 162 C GLU A 11 9.845 3.578 9.003 1.00 0.25 C ATOM 163 O GLU A 11 8.861 3.931 9.657 1.00 0.40 O ATOM 164 CB GLU A 11 11.758 5.119 8.450 1.00 0.45 C ATOM 165 CG GLU A 11 12.899 4.136 8.620 1.00 0.47 C ATOM 166 CD GLU A 11 14.228 4.821 8.836 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.250 6.060 9.005 1.00 1.50 O ATOM 168 OE2 GLU A 11 15.261 4.123 8.823 1.00 1.15 O ATOM 0 H GLU A 11 9.652 6.416 7.991 1.00 0.25 H new ATOM 0 HA GLU A 11 10.680 3.845 7.078 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.068 5.904 7.761 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.558 5.597 9.409 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.689 3.484 9.468 1.00 0.47 H new ATOM 0 HG3 GLU A 11 12.961 3.501 7.736 1.00 0.47 H new ATOM 175 N GLU A 12 10.469 2.409 9.155 1.00 0.31 N ATOM 176 CA GLU A 12 10.051 1.342 10.062 1.00 0.31 C ATOM 177 C GLU A 12 11.163 0.282 10.043 1.00 0.33 C ATOM 178 O GLU A 12 12.008 0.316 9.144 1.00 0.50 O ATOM 179 CB GLU A 12 8.694 0.759 9.618 1.00 0.38 C ATOM 180 CG GLU A 12 8.194 -0.428 10.433 1.00 0.56 C ATOM 181 CD GLU A 12 8.115 -0.144 11.918 1.00 0.89 C ATOM 182 OE1 GLU A 12 7.093 0.401 12.376 1.00 1.56 O ATOM 183 OE2 GLU A 12 9.074 -0.487 12.636 1.00 1.37 O ATOM 0 H GLU A 12 11.311 2.172 8.630 1.00 0.31 H new ATOM 0 HA GLU A 12 9.908 1.714 11.076 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.946 1.550 9.663 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.773 0.454 8.574 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.207 -0.717 10.072 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.856 -1.278 10.267 1.00 0.56 H new ATOM 190 N MET A 13 11.162 -0.645 11.002 1.00 0.38 N ATOM 191 CA MET A 13 12.320 -1.515 11.252 1.00 0.46 C ATOM 192 C MET A 13 12.818 -2.270 10.012 1.00 0.40 C ATOM 193 O MET A 13 14.031 -2.368 9.811 1.00 0.49 O ATOM 194 CB MET A 13 12.008 -2.522 12.360 1.00 0.61 C ATOM 195 CG MET A 13 11.577 -1.889 13.673 1.00 0.92 C ATOM 196 SD MET A 13 12.789 -0.726 14.322 1.00 1.76 S ATOM 197 CE MET A 13 11.977 -0.220 15.837 1.00 2.64 C ATOM 0 H MET A 13 10.371 -0.816 11.622 1.00 0.38 H new ATOM 0 HA MET A 13 13.123 -0.843 11.557 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.219 -3.191 12.016 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.891 -3.135 12.538 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.628 -1.373 13.527 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.404 -2.674 14.409 1.00 0.92 H new ATOM 0 HE1 MET A 13 12.602 0.504 16.360 1.00 2.64 H new ATOM 0 HE2 MET A 13 11.015 0.235 15.600 1.00 2.64 H new ATOM 0 HE3 MET A 13 11.819 -1.091 16.474 1.00 2.64 H new ATOM 207 N GLU A 14 11.926 -2.794 9.165 1.00 0.30 N ATOM 208 CA GLU A 14 12.396 -3.479 7.961 1.00 0.28 C ATOM 209 C GLU A 14 12.158 -2.646 6.714 1.00 0.31 C ATOM 210 O GLU A 14 12.794 -2.867 5.701 1.00 0.61 O ATOM 211 CB GLU A 14 11.722 -4.841 7.787 1.00 0.33 C ATOM 212 CG GLU A 14 12.262 -5.642 6.603 1.00 0.45 C ATOM 213 CD GLU A 14 13.689 -6.100 6.813 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.609 -5.268 6.719 1.00 1.19 O ATOM 215 OE2 GLU A 14 13.892 -7.300 7.078 1.00 1.33 O ATOM 0 H GLU A 14 10.914 -2.760 9.284 1.00 0.30 H new ATOM 0 HA GLU A 14 13.468 -3.627 8.092 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.855 -5.422 8.699 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.650 -4.693 7.657 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.626 -6.511 6.437 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.209 -5.031 5.702 1.00 0.45 H new ATOM 222 N THR A 15 11.271 -1.673 6.792 1.00 0.20 N ATOM 223 CA THR A 15 10.968 -0.842 5.636 1.00 0.18 C ATOM 224 C THR A 15 12.158 0.032 5.311 1.00 0.21 C ATOM 225 O THR A 15 12.861 0.489 6.216 1.00 0.30 O ATOM 226 CB THR A 15 9.755 0.062 5.886 1.00 0.23 C ATOM 227 OG1 THR A 15 10.084 1.020 6.883 1.00 1.04 O ATOM 228 CG2 THR A 15 8.560 -0.758 6.337 1.00 0.90 C ATOM 0 H THR A 15 10.749 -1.437 7.636 1.00 0.20 H new ATOM 0 HA THR A 15 10.739 -1.510 4.805 1.00 0.18 H new ATOM 0 HB THR A 15 9.493 0.569 4.957 1.00 0.23 H new ATOM 0 HG1 THR A 15 10.780 0.656 7.469 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.710 -0.098 6.509 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.305 -1.484 5.565 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.806 -1.281 7.261 1.00 0.90 H new ATOM 236 N PRO A 16 12.395 0.300 4.029 1.00 0.21 N ATOM 237 CA PRO A 16 13.467 1.170 3.613 1.00 0.24 C ATOM 238 C PRO A 16 12.961 2.592 3.618 1.00 0.21 C ATOM 239 O PRO A 16 13.279 3.397 2.745 1.00 0.22 O ATOM 240 CB PRO A 16 13.793 0.673 2.208 1.00 0.28 C ATOM 241 CG PRO A 16 12.564 -0.027 1.718 1.00 0.26 C ATOM 242 CD PRO A 16 11.598 -0.146 2.880 1.00 0.19 C ATOM 0 HA PRO A 16 14.348 1.157 4.254 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.056 1.503 1.552 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.647 -0.004 2.223 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.109 0.531 0.900 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.817 -1.014 1.330 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.716 0.478 2.736 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.246 -1.170 3.008 1.00 0.19 H new ATOM 250 N ARG A 17 12.136 2.864 4.626 1.00 0.21 N ATOM 251 CA ARG A 17 11.419 4.110 4.743 1.00 0.21 C ATOM 252 C ARG A 17 10.497 4.274 3.542 1.00 0.19 C ATOM 253 O ARG A 17 10.636 5.186 2.747 1.00 0.28 O ATOM 254 CB ARG A 17 12.404 5.275 4.867 1.00 0.26 C ATOM 255 CG ARG A 17 11.775 6.555 5.372 1.00 0.39 C ATOM 256 CD ARG A 17 12.825 7.595 5.693 1.00 0.37 C ATOM 257 NE ARG A 17 12.230 8.837 6.170 1.00 1.13 N ATOM 258 CZ ARG A 17 12.361 9.303 7.410 1.00 1.48 C ATOM 259 NH1 ARG A 17 13.066 8.629 8.317 1.00 1.46 N ATOM 260 NH2 ARG A 17 11.780 10.449 7.742 1.00 2.42 N ATOM 0 H ARG A 17 11.951 2.212 5.388 1.00 0.21 H new ATOM 0 HA ARG A 17 10.807 4.104 5.645 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.210 4.987 5.541 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.855 5.463 3.893 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.090 6.947 4.620 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.184 6.345 6.263 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.505 7.204 6.450 1.00 0.37 H new ATOM 0 HD3 ARG A 17 13.421 7.796 4.803 1.00 0.37 H new ATOM 0 HE ARG A 17 11.677 9.385 5.511 1.00 1.13 H new ATOM 0 HH11 ARG A 17 13.512 7.747 8.064 1.00 1.46 H new ATOM 0 HH12 ARG A 17 13.160 8.995 9.264 1.00 1.46 H new ATOM 0 HH21 ARG A 17 11.238 10.966 7.049 1.00 2.42 H new ATOM 0 HH22 ARG A 17 11.875 10.813 8.690 1.00 2.42 H new ATOM 274 N LEU A 18 9.560 3.360 3.391 1.00 0.16 N ATOM 275 CA LEU A 18 8.668 3.403 2.245 1.00 0.14 C ATOM 276 C LEU A 18 7.251 3.829 2.608 1.00 0.13 C ATOM 277 O LEU A 18 6.611 3.246 3.484 1.00 0.15 O ATOM 278 CB LEU A 18 8.630 2.058 1.558 1.00 0.19 C ATOM 279 CG LEU A 18 9.580 1.901 0.371 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.949 2.456 0.688 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.667 0.441 -0.047 1.00 0.27 C ATOM 0 H LEU A 18 9.396 2.587 4.036 1.00 0.16 H new ATOM 0 HA LEU A 18 9.071 4.158 1.570 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.863 1.287 2.293 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.612 1.873 1.214 1.00 0.19 H new ATOM 0 HG LEU A 18 9.179 2.476 -0.464 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.602 2.330 -0.176 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.865 3.516 0.928 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.369 1.923 1.541 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.347 0.345 -0.893 1.00 0.27 H new ATOM 0 HD22 LEU A 18 10.039 -0.155 0.787 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.678 0.085 -0.334 1.00 0.27 H new ATOM 293 N SER A 19 6.760 4.825 1.878 1.00 0.16 N ATOM 294 CA SER A 19 5.449 5.391 2.112 1.00 0.16 C ATOM 295 C SER A 19 4.601 5.336 0.852 1.00 0.14 C ATOM 296 O SER A 19 5.009 5.799 -0.208 1.00 0.18 O ATOM 297 CB SER A 19 5.594 6.829 2.571 1.00 0.23 C ATOM 298 OG SER A 19 4.424 7.577 2.309 1.00 0.67 O ATOM 0 H SER A 19 7.267 5.259 1.107 1.00 0.16 H new ATOM 0 HA SER A 19 4.951 4.806 2.885 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.810 6.851 3.639 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.442 7.290 2.065 1.00 0.23 H new ATOM 0 HG SER A 19 4.293 8.239 3.020 1.00 0.67 H new ATOM 304 N VAL A 20 3.420 4.789 1.000 1.00 0.14 N ATOM 305 CA VAL A 20 2.487 4.625 -0.093 1.00 0.14 C ATOM 306 C VAL A 20 1.379 5.660 -0.013 1.00 0.13 C ATOM 307 O VAL A 20 1.052 6.175 1.065 1.00 0.14 O ATOM 308 CB VAL A 20 1.846 3.227 -0.073 1.00 0.19 C ATOM 309 CG1 VAL A 20 0.916 3.093 1.104 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.093 2.942 -1.355 1.00 0.85 C ATOM 0 H VAL A 20 3.073 4.440 1.893 1.00 0.14 H new ATOM 0 HA VAL A 20 3.051 4.753 -1.017 1.00 0.14 H new ATOM 0 HB VAL A 20 2.651 2.498 0.017 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.470 2.098 1.104 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.475 3.240 2.028 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.129 3.843 1.033 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.654 1.946 -1.305 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.303 3.681 -1.485 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.780 2.994 -2.200 1.00 0.85 H new ATOM 320 N ILE A 21 0.816 5.963 -1.161 1.00 0.16 N ATOM 321 CA ILE A 21 -0.296 6.880 -1.244 1.00 0.18 C ATOM 322 C ILE A 21 -1.592 6.089 -1.290 1.00 0.16 C ATOM 323 O ILE A 21 -1.836 5.355 -2.247 1.00 0.20 O ATOM 324 CB ILE A 21 -0.183 7.717 -2.525 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.291 7.949 -2.846 1.00 0.23 C ATOM 326 CG2 ILE A 21 -0.917 9.039 -2.366 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.532 8.467 -4.244 1.00 0.73 C ATOM 0 H ILE A 21 1.115 5.582 -2.059 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.286 7.537 -0.374 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.647 7.178 -3.351 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.703 8.659 -2.129 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.834 7.013 -2.716 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.826 9.619 -3.285 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -1.970 8.848 -2.161 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.482 9.599 -1.538 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.601 8.608 -4.400 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.151 7.748 -4.969 1.00 0.73 H new ATOM 0 HD13 ILE A 21 1.018 9.419 -4.373 1.00 0.73 H new ATOM 339 N VAL A 22 -2.419 6.228 -0.265 1.00 0.14 N ATOM 340 CA VAL A 22 -3.689 5.521 -0.228 1.00 0.13 C ATOM 341 C VAL A 22 -4.838 6.486 -0.393 1.00 0.13 C ATOM 342 O VAL A 22 -5.092 7.308 0.486 1.00 0.20 O ATOM 343 CB VAL A 22 -3.897 4.764 1.094 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.127 3.879 1.005 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.671 3.954 1.457 1.00 0.20 C ATOM 0 H VAL A 22 -2.235 6.819 0.546 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.663 4.804 -1.049 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.055 5.495 1.887 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.263 3.349 1.948 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -6.004 4.494 0.805 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.999 3.158 0.198 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.847 3.429 2.396 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.467 3.229 0.669 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.815 4.620 1.568 1.00 0.20 H new ATOM 355 N THR A 23 -5.560 6.372 -1.485 1.00 0.15 N ATOM 356 CA THR A 23 -6.664 7.273 -1.729 1.00 0.18 C ATOM 357 C THR A 23 -7.962 6.522 -2.020 1.00 0.15 C ATOM 358 O THR A 23 -7.966 5.362 -2.437 1.00 0.16 O ATOM 359 CB THR A 23 -6.340 8.287 -2.858 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.497 9.069 -3.180 1.00 1.21 O ATOM 361 CG2 THR A 23 -5.828 7.598 -4.110 1.00 0.87 C ATOM 0 H THR A 23 -5.406 5.673 -2.211 1.00 0.15 H new ATOM 0 HA THR A 23 -6.815 7.839 -0.810 1.00 0.18 H new ATOM 0 HB THR A 23 -5.551 8.940 -2.484 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.275 9.704 -3.892 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.614 8.345 -4.874 1.00 0.87 H new ATOM 0 HG22 THR A 23 -4.917 7.047 -3.875 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.585 6.907 -4.480 1.00 0.87 H new ATOM 369 N HIS A 24 -9.053 7.192 -1.708 1.00 0.20 N ATOM 370 CA HIS A 24 -10.399 6.742 -2.005 1.00 0.24 C ATOM 371 C HIS A 24 -11.178 7.979 -2.419 1.00 0.34 C ATOM 372 O HIS A 24 -11.412 8.847 -1.583 1.00 0.38 O ATOM 373 CB HIS A 24 -11.010 6.097 -0.748 1.00 0.31 C ATOM 374 CG HIS A 24 -12.510 6.021 -0.729 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.272 6.599 0.263 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.382 5.424 -1.572 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.548 6.362 0.028 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.643 5.648 -1.078 1.00 0.96 N ATOM 0 H HIS A 24 -9.027 8.091 -1.227 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.419 5.995 -2.798 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.610 5.088 -0.647 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.680 6.659 0.126 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.906 7.127 1.055 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.133 4.873 -2.467 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.375 6.696 0.637 1.00 1.08 H new ATOM 387 N SER A 25 -11.537 8.073 -3.699 1.00 0.41 N ATOM 388 CA SER A 25 -12.149 9.290 -4.253 1.00 0.55 C ATOM 389 C SER A 25 -11.123 10.431 -4.349 1.00 0.60 C ATOM 390 O SER A 25 -10.963 11.056 -5.396 1.00 0.99 O ATOM 391 CB SER A 25 -13.350 9.722 -3.400 1.00 0.63 C ATOM 392 OG SER A 25 -14.396 8.764 -3.467 1.00 1.17 O ATOM 0 H SER A 25 -11.416 7.321 -4.377 1.00 0.41 H new ATOM 0 HA SER A 25 -12.498 9.063 -5.260 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.037 9.851 -2.364 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.716 10.689 -3.745 1.00 0.63 H new ATOM 0 HG SER A 25 -15.148 9.062 -2.914 1.00 1.17 H new ATOM 398 N ASN A 26 -10.421 10.659 -3.248 1.00 0.44 N ATOM 399 CA ASN A 26 -9.437 11.728 -3.108 1.00 0.50 C ATOM 400 C ASN A 26 -8.872 11.638 -1.697 1.00 0.43 C ATOM 401 O ASN A 26 -7.716 11.963 -1.437 1.00 0.47 O ATOM 402 CB ASN A 26 -10.080 13.103 -3.335 1.00 0.65 C ATOM 403 CG ASN A 26 -9.083 14.250 -3.286 1.00 1.42 C ATOM 404 OD1 ASN A 26 -9.409 15.345 -2.824 1.00 2.19 O ATOM 405 ND2 ASN A 26 -7.874 14.023 -3.780 1.00 2.02 N ATOM 0 H ASN A 26 -10.521 10.093 -2.405 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.649 11.614 -3.853 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.580 13.107 -4.304 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.848 13.266 -2.579 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -7.177 14.768 -3.786 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -7.640 13.103 -4.154 1.00 2.02 H new ATOM 412 N GLU A 27 -9.747 11.173 -0.813 1.00 0.41 N ATOM 413 CA GLU A 27 -9.445 10.841 0.576 1.00 0.42 C ATOM 414 C GLU A 27 -8.142 10.045 0.691 1.00 0.37 C ATOM 415 O GLU A 27 -8.102 8.843 0.411 1.00 0.49 O ATOM 416 CB GLU A 27 -10.628 10.030 1.078 1.00 0.50 C ATOM 417 CG GLU A 27 -10.604 9.636 2.539 1.00 0.58 C ATOM 418 CD GLU A 27 -11.837 8.833 2.894 1.00 1.21 C ATOM 419 OE1 GLU A 27 -12.052 7.772 2.271 1.00 1.58 O ATOM 420 OE2 GLU A 27 -12.621 9.281 3.754 1.00 1.75 O ATOM 0 H GLU A 27 -10.725 11.010 -1.053 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.298 11.742 1.172 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.537 10.602 0.894 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.697 9.121 0.480 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.709 9.050 2.749 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.553 10.529 3.161 1.00 0.58 H new ATOM 427 N ARG A 28 -7.094 10.717 1.137 1.00 0.33 N ATOM 428 CA ARG A 28 -5.739 10.174 1.076 1.00 0.33 C ATOM 429 C ARG A 28 -5.146 9.993 2.472 1.00 0.30 C ATOM 430 O ARG A 28 -5.188 10.894 3.302 1.00 0.36 O ATOM 431 CB ARG A 28 -4.852 11.108 0.233 1.00 0.48 C ATOM 432 CG ARG A 28 -3.528 10.505 -0.242 1.00 0.72 C ATOM 433 CD ARG A 28 -2.479 10.420 0.865 1.00 0.76 C ATOM 434 NE ARG A 28 -2.151 11.728 1.437 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.980 12.027 2.012 1.00 2.38 C ATOM 436 NH1 ARG A 28 -0.006 11.125 2.069 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.780 13.230 2.532 1.00 3.31 N ATOM 0 H ARG A 28 -7.153 11.648 1.550 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.781 9.190 0.609 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.419 11.429 -0.641 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.635 12.001 0.819 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.712 9.506 -0.638 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.135 11.106 -1.062 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.844 9.764 1.655 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.572 9.965 0.466 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.861 12.459 1.394 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -0.147 10.196 1.673 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.883 11.362 2.509 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -1.520 13.931 2.495 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.114 13.454 2.969 1.00 3.31 H new ATOM 451 N TYR A 29 -4.609 8.807 2.712 1.00 0.28 N ATOM 452 CA TYR A 29 -3.869 8.514 3.931 1.00 0.27 C ATOM 453 C TYR A 29 -2.486 7.990 3.582 1.00 0.25 C ATOM 454 O TYR A 29 -2.334 7.206 2.644 1.00 0.27 O ATOM 455 CB TYR A 29 -4.613 7.505 4.809 1.00 0.34 C ATOM 456 CG TYR A 29 -5.809 8.095 5.517 1.00 0.93 C ATOM 457 CD1 TYR A 29 -5.658 8.768 6.722 1.00 1.30 C ATOM 458 CD2 TYR A 29 -7.087 7.979 4.986 1.00 1.65 C ATOM 459 CE1 TYR A 29 -6.747 9.307 7.378 1.00 1.95 C ATOM 460 CE2 TYR A 29 -8.180 8.518 5.637 1.00 2.31 C ATOM 461 CZ TYR A 29 -8.004 9.180 6.831 1.00 2.36 C ATOM 462 OH TYR A 29 -9.091 9.711 7.485 1.00 3.09 O ATOM 0 H TYR A 29 -4.674 8.019 2.067 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.772 9.439 4.499 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.941 6.669 4.191 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.923 7.102 5.551 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.673 8.872 7.153 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -7.229 7.459 4.050 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -6.613 9.826 8.316 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -9.168 8.420 5.211 1.00 2.31 H new ATOM 0 HH TYR A 29 -9.903 9.536 6.965 1.00 3.09 H new ATOM 472 N ASP A 30 -1.483 8.463 4.302 1.00 0.27 N ATOM 473 CA ASP A 30 -0.112 8.003 4.111 1.00 0.30 C ATOM 474 C ASP A 30 0.059 6.660 4.810 1.00 0.25 C ATOM 475 O ASP A 30 -0.158 6.548 6.017 1.00 0.34 O ATOM 476 CB ASP A 30 0.856 9.034 4.705 1.00 0.50 C ATOM 477 CG ASP A 30 2.318 8.712 4.463 1.00 1.27 C ATOM 478 OD1 ASP A 30 2.889 7.879 5.198 1.00 2.01 O ATOM 479 OD2 ASP A 30 2.912 9.322 3.551 1.00 1.99 O ATOM 0 H ASP A 30 -1.591 9.170 5.029 1.00 0.27 H new ATOM 0 HA ASP A 30 0.102 7.888 3.048 1.00 0.30 H new ATOM 0 HB2 ASP A 30 0.634 10.013 4.281 1.00 0.50 H new ATOM 0 HB3 ASP A 30 0.682 9.105 5.779 1.00 0.50 H new ATOM 484 N LEU A 31 0.429 5.650 4.050 1.00 0.18 N ATOM 485 CA LEU A 31 0.538 4.293 4.566 1.00 0.15 C ATOM 486 C LEU A 31 1.937 3.770 4.284 1.00 0.14 C ATOM 487 O LEU A 31 2.606 4.260 3.385 1.00 0.18 O ATOM 488 CB LEU A 31 -0.536 3.404 3.928 1.00 0.15 C ATOM 489 CG LEU A 31 -1.399 2.592 4.897 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.619 1.409 5.448 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.869 3.475 6.040 1.00 0.16 C ATOM 0 H LEU A 31 0.663 5.741 3.061 1.00 0.18 H new ATOM 0 HA LEU A 31 0.374 4.284 5.644 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.193 4.035 3.329 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.046 2.713 3.242 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.265 2.215 4.353 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.250 0.845 6.135 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.309 0.763 4.626 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.262 1.770 5.979 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.482 2.889 6.724 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.005 3.869 6.574 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.458 4.302 5.643 1.00 0.16 H new ATOM 503 N LEU A 32 2.409 2.824 5.066 1.00 0.15 N ATOM 504 CA LEU A 32 3.788 2.387 4.943 1.00 0.16 C ATOM 505 C LEU A 32 3.861 0.946 4.455 1.00 0.14 C ATOM 506 O LEU A 32 3.072 0.102 4.878 1.00 0.14 O ATOM 507 CB LEU A 32 4.506 2.597 6.283 1.00 0.19 C ATOM 508 CG LEU A 32 5.608 1.598 6.637 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.700 2.297 7.418 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.048 0.447 7.463 1.00 0.73 C ATOM 0 H LEU A 32 1.868 2.346 5.787 1.00 0.15 H new ATOM 0 HA LEU A 32 4.300 2.987 4.191 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.941 3.597 6.283 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.759 2.574 7.076 1.00 0.19 H new ATOM 0 HG LEU A 32 6.019 1.195 5.711 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.483 1.582 7.668 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.122 3.100 6.814 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.282 2.713 8.335 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.849 -0.252 7.704 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.617 0.837 8.385 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.276 -0.069 6.892 1.00 0.73 H new ATOM 522 N VAL A 33 4.838 0.678 3.585 1.00 0.14 N ATOM 523 CA VAL A 33 4.988 -0.630 2.947 1.00 0.14 C ATOM 524 C VAL A 33 5.318 -1.680 3.995 1.00 0.14 C ATOM 525 O VAL A 33 5.989 -1.386 4.979 1.00 0.15 O ATOM 526 CB VAL A 33 6.085 -0.603 1.831 1.00 0.17 C ATOM 527 CG1 VAL A 33 7.013 -1.812 1.901 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.422 -0.537 0.470 1.00 1.15 C ATOM 0 H VAL A 33 5.544 1.359 3.305 1.00 0.14 H new ATOM 0 HA VAL A 33 4.043 -0.886 2.469 1.00 0.14 H new ATOM 0 HB VAL A 33 6.698 0.283 1.992 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.756 -1.747 1.106 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.516 -1.829 2.868 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.431 -2.725 1.779 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.187 -0.518 -0.307 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.786 -1.412 0.332 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.816 0.366 0.404 1.00 1.15 H new ATOM 538 N THR A 34 4.863 -2.908 3.774 1.00 0.14 N ATOM 539 CA THR A 34 4.828 -3.891 4.834 1.00 0.17 C ATOM 540 C THR A 34 6.182 -4.560 5.013 1.00 0.17 C ATOM 541 O THR A 34 6.696 -5.245 4.123 1.00 0.18 O ATOM 542 CB THR A 34 3.751 -4.953 4.555 1.00 0.19 C ATOM 543 OG1 THR A 34 2.514 -4.312 4.216 1.00 0.21 O ATOM 544 CG2 THR A 34 3.542 -5.848 5.768 1.00 0.23 C ATOM 0 H THR A 34 4.517 -3.239 2.874 1.00 0.14 H new ATOM 0 HA THR A 34 4.580 -3.369 5.758 1.00 0.17 H new ATOM 0 HB THR A 34 4.088 -5.570 3.722 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.644 -3.747 3.426 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.776 -6.590 5.545 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.476 -6.353 6.013 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.224 -5.242 6.617 1.00 0.23 H new ATOM 552 N PRO A 35 6.774 -4.324 6.194 1.00 0.18 N ATOM 553 CA PRO A 35 8.096 -4.818 6.550 1.00 0.20 C ATOM 554 C PRO A 35 8.133 -6.329 6.720 1.00 0.23 C ATOM 555 O PRO A 35 7.096 -6.973 6.889 1.00 0.35 O ATOM 556 CB PRO A 35 8.405 -4.126 7.881 1.00 0.27 C ATOM 557 CG PRO A 35 7.076 -3.782 8.455 1.00 0.32 C ATOM 558 CD PRO A 35 6.165 -3.540 7.289 1.00 0.22 C ATOM 0 HA PRO A 35 8.822 -4.603 5.766 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.964 -4.783 8.547 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.012 -3.234 7.730 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.701 -4.592 9.080 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.143 -2.896 9.087 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.148 -3.872 7.501 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.109 -2.481 7.039 1.00 0.22 H new ATOM 566 N GLN A 36 9.351 -6.858 6.634 1.00 0.26 N ATOM 567 CA GLN A 36 9.659 -8.280 6.819 1.00 0.29 C ATOM 568 C GLN A 36 9.541 -9.045 5.510 1.00 0.30 C ATOM 569 O GLN A 36 9.348 -10.261 5.500 1.00 0.73 O ATOM 570 CB GLN A 36 8.807 -8.938 7.910 1.00 0.42 C ATOM 571 CG GLN A 36 9.065 -8.384 9.301 1.00 0.59 C ATOM 572 CD GLN A 36 8.350 -9.173 10.376 1.00 0.98 C ATOM 573 OE1 GLN A 36 7.291 -9.755 10.139 1.00 1.69 O ATOM 574 NE2 GLN A 36 8.922 -9.202 11.567 1.00 1.72 N ATOM 0 H GLN A 36 10.177 -6.296 6.428 1.00 0.26 H new ATOM 0 HA GLN A 36 10.694 -8.326 7.157 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.753 -8.806 7.665 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.001 -10.011 7.913 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.137 -8.392 9.500 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.741 -7.344 9.341 1.00 0.59 H new ATOM 0 HE21 GLN A 36 9.800 -8.707 11.723 1.00 1.72 H new ATOM 0 HE22 GLN A 36 8.486 -9.720 12.330 1.00 1.72 H new ATOM 583 N GLN A 37 9.659 -8.318 4.407 1.00 0.33 N ATOM 584 CA GLN A 37 9.750 -8.935 3.093 1.00 0.26 C ATOM 585 C GLN A 37 11.197 -8.919 2.633 1.00 0.30 C ATOM 586 O GLN A 37 11.947 -9.877 2.810 1.00 0.74 O ATOM 587 CB GLN A 37 8.917 -8.171 2.064 1.00 0.23 C ATOM 588 CG GLN A 37 8.128 -9.075 1.127 1.00 0.26 C ATOM 589 CD GLN A 37 9.008 -10.077 0.396 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.237 -11.185 0.874 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.507 -9.690 -0.767 1.00 1.42 N ATOM 0 H GLN A 37 9.694 -7.299 4.398 1.00 0.33 H new ATOM 0 HA GLN A 37 9.373 -9.955 3.172 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.225 -7.511 2.587 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.577 -7.537 1.473 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.372 -9.612 1.699 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.600 -8.462 0.397 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.293 -8.761 -1.130 1.00 1.42 H new ATOM 0 HE22 GLN A 37 10.106 -10.321 -1.300 1.00 1.42 H new ATOM 600 N GLY A 38 11.552 -7.794 2.040 1.00 0.43 N ATOM 601 CA GLY A 38 12.906 -7.508 1.649 1.00 0.34 C ATOM 602 C GLY A 38 13.073 -6.017 1.566 1.00 0.38 C ATOM 603 O GLY A 38 13.930 -5.522 0.847 1.00 0.83 O ATOM 0 H GLY A 38 10.893 -7.048 1.817 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.606 -7.928 2.372 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.128 -7.968 0.686 1.00 0.34 H new ATOM 607 N ASN A 39 12.203 -5.327 2.329 1.00 0.27 N ATOM 608 CA ASN A 39 12.008 -3.858 2.320 1.00 0.22 C ATOM 609 C ASN A 39 11.673 -3.281 0.949 1.00 0.21 C ATOM 610 O ASN A 39 10.810 -2.416 0.842 1.00 0.27 O ATOM 611 CB ASN A 39 13.162 -3.071 2.971 1.00 0.29 C ATOM 612 CG ASN A 39 14.554 -3.349 2.425 1.00 0.40 C ATOM 613 OD1 ASN A 39 15.278 -4.200 2.947 1.00 1.06 O ATOM 614 ND2 ASN A 39 14.943 -2.634 1.383 1.00 1.11 N ATOM 0 H ASN A 39 11.590 -5.794 2.997 1.00 0.27 H new ATOM 0 HA ASN A 39 11.127 -3.722 2.947 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.956 -2.006 2.860 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.164 -3.286 4.040 1.00 0.29 H new ATOM 0 HD21 ASN A 39 15.871 -2.778 0.984 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.316 -1.939 0.979 1.00 1.11 H new ATOM 621 N SER A 40 12.307 -3.772 -0.084 1.00 0.24 N ATOM 622 CA SER A 40 12.175 -3.191 -1.398 1.00 0.32 C ATOM 623 C SER A 40 10.933 -3.716 -2.088 1.00 0.32 C ATOM 624 O SER A 40 10.332 -3.026 -2.899 1.00 0.50 O ATOM 625 CB SER A 40 13.411 -3.512 -2.229 1.00 0.40 C ATOM 626 OG SER A 40 14.593 -3.122 -1.548 1.00 1.42 O ATOM 0 H SER A 40 12.926 -4.581 -0.041 1.00 0.24 H new ATOM 0 HA SER A 40 12.082 -2.110 -1.296 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.444 -4.581 -2.441 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.353 -2.998 -3.189 1.00 0.40 H new ATOM 0 HG SER A 40 15.374 -3.339 -2.098 1.00 1.42 H new ATOM 632 N GLU A 41 10.522 -4.919 -1.719 1.00 0.24 N ATOM 633 CA GLU A 41 9.451 -5.595 -2.407 1.00 0.31 C ATOM 634 C GLU A 41 8.482 -6.071 -1.364 1.00 0.26 C ATOM 635 O GLU A 41 8.726 -7.068 -0.711 1.00 0.30 O ATOM 636 CB GLU A 41 9.969 -6.783 -3.228 1.00 0.45 C ATOM 637 CG GLU A 41 11.092 -6.426 -4.187 1.00 1.12 C ATOM 638 CD GLU A 41 12.446 -6.886 -3.693 1.00 1.32 C ATOM 639 OE1 GLU A 41 12.777 -6.635 -2.516 1.00 1.83 O ATOM 640 OE2 GLU A 41 13.191 -7.498 -4.487 1.00 1.66 O ATOM 0 H GLU A 41 10.921 -5.444 -0.941 1.00 0.24 H new ATOM 0 HA GLU A 41 8.972 -4.911 -3.107 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.319 -7.558 -2.546 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.141 -7.208 -3.796 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.892 -6.876 -5.159 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.110 -5.346 -4.334 1.00 1.12 H new ATOM 647 N PRO A 42 7.409 -5.323 -1.162 1.00 0.22 N ATOM 648 CA PRO A 42 6.431 -5.581 -0.104 1.00 0.21 C ATOM 649 C PRO A 42 5.741 -6.937 -0.252 1.00 0.20 C ATOM 650 O PRO A 42 5.803 -7.566 -1.304 1.00 0.20 O ATOM 651 CB PRO A 42 5.424 -4.443 -0.263 1.00 0.23 C ATOM 652 CG PRO A 42 6.138 -3.403 -1.050 1.00 0.26 C ATOM 653 CD PRO A 42 7.054 -4.145 -1.961 1.00 0.24 C ATOM 0 HA PRO A 42 6.901 -5.617 0.879 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.525 -4.781 -0.779 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.109 -4.057 0.706 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.436 -2.789 -1.615 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.695 -2.731 -0.397 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.563 -4.420 -2.894 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.931 -3.554 -2.225 1.00 0.24 H new ATOM 661 N VAL A 43 5.104 -7.396 0.816 1.00 0.21 N ATOM 662 CA VAL A 43 4.458 -8.702 0.816 1.00 0.22 C ATOM 663 C VAL A 43 3.124 -8.664 0.076 1.00 0.19 C ATOM 664 O VAL A 43 2.564 -7.592 -0.123 1.00 0.17 O ATOM 665 CB VAL A 43 4.209 -9.220 2.247 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.514 -9.447 2.990 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.323 -8.259 3.021 1.00 0.24 C ATOM 0 H VAL A 43 5.020 -6.884 1.694 1.00 0.21 H new ATOM 0 HA VAL A 43 5.142 -9.378 0.304 1.00 0.22 H new ATOM 0 HB VAL A 43 3.697 -10.179 2.164 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.302 -9.812 3.995 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.114 -10.184 2.456 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.065 -8.508 3.054 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.161 -8.644 4.028 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.807 -7.284 3.079 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.364 -8.158 2.512 1.00 0.24 H new ATOM 677 N VAL A 44 2.599 -9.833 -0.289 1.00 0.22 N ATOM 678 CA VAL A 44 1.290 -9.935 -0.948 1.00 0.22 C ATOM 679 C VAL A 44 0.226 -9.204 -0.136 1.00 0.20 C ATOM 680 O VAL A 44 -0.731 -8.652 -0.677 1.00 0.25 O ATOM 681 CB VAL A 44 0.871 -11.405 -1.142 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.629 -12.026 -2.301 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.103 -12.208 0.132 1.00 0.36 C ATOM 0 H VAL A 44 3.061 -10.730 -0.140 1.00 0.22 H new ATOM 0 HA VAL A 44 1.380 -9.470 -1.930 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.195 -11.426 -1.371 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.320 -13.064 -2.423 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.413 -11.473 -3.215 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.699 -11.987 -2.098 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.800 -13.242 -0.030 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.160 -12.177 0.394 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.515 -11.780 0.944 1.00 0.36 H new ATOM 693 N GLN A 45 0.436 -9.202 1.167 1.00 0.19 N ATOM 694 CA GLN A 45 -0.461 -8.574 2.122 1.00 0.19 C ATOM 695 C GLN A 45 -0.504 -7.062 1.909 1.00 0.16 C ATOM 696 O GLN A 45 -1.543 -6.439 2.076 1.00 0.19 O ATOM 697 CB GLN A 45 0.007 -8.870 3.548 1.00 0.25 C ATOM 698 CG GLN A 45 0.097 -10.351 3.873 1.00 0.62 C ATOM 699 CD GLN A 45 -1.187 -10.925 4.445 1.00 0.89 C ATOM 700 OE1 GLN A 45 -1.489 -12.105 4.257 1.00 1.66 O ATOM 701 NE2 GLN A 45 -1.941 -10.106 5.164 1.00 1.44 N ATOM 0 H GLN A 45 1.247 -9.643 1.600 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.461 -8.981 1.971 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.986 -8.415 3.700 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.678 -8.395 4.250 1.00 0.25 H new ATOM 0 HG2 GLN A 45 0.358 -10.898 2.967 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.906 -10.510 4.586 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -1.657 -9.135 5.297 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -2.806 -10.446 5.585 1.00 1.44 H new ATOM 710 N ASP A 46 0.641 -6.501 1.514 1.00 0.15 N ATOM 711 CA ASP A 46 0.893 -5.059 1.569 1.00 0.14 C ATOM 712 C ASP A 46 -0.104 -4.252 0.763 1.00 0.14 C ATOM 713 O ASP A 46 -0.595 -3.227 1.227 1.00 0.15 O ATOM 714 CB ASP A 46 2.298 -4.779 1.048 1.00 0.17 C ATOM 715 CG ASP A 46 2.555 -3.312 0.791 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.018 -2.626 1.719 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.313 -2.854 -0.352 1.00 0.17 O ATOM 0 H ASP A 46 1.425 -7.038 1.144 1.00 0.15 H new ATOM 0 HA ASP A 46 0.788 -4.753 2.610 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.027 -5.148 1.770 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.454 -5.336 0.124 1.00 0.17 H new ATOM 722 N LEU A 47 -0.416 -4.717 -0.431 1.00 0.18 N ATOM 723 CA LEU A 47 -1.288 -3.970 -1.317 1.00 0.22 C ATOM 724 C LEU A 47 -2.661 -3.768 -0.666 1.00 0.19 C ATOM 725 O LEU A 47 -3.206 -2.658 -0.657 1.00 0.22 O ATOM 726 CB LEU A 47 -1.359 -4.676 -2.690 1.00 0.28 C ATOM 727 CG LEU A 47 -1.461 -6.216 -2.662 1.00 0.62 C ATOM 728 CD1 LEU A 47 -2.853 -6.690 -2.300 1.00 1.07 C ATOM 729 CD2 LEU A 47 -1.051 -6.804 -3.998 1.00 1.01 C ATOM 0 H LEU A 47 -0.081 -5.603 -0.809 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.884 -2.973 -1.492 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -2.221 -4.286 -3.231 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.472 -4.402 -3.262 1.00 0.28 H new ATOM 0 HG LEU A 47 -0.778 -6.564 -1.888 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -2.876 -7.780 -2.293 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.120 -6.315 -1.312 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.567 -6.317 -3.034 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.130 -7.890 -3.957 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.707 -6.422 -4.780 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -0.021 -6.523 -4.218 1.00 1.01 H new ATOM 741 N ALA A 48 -3.178 -4.826 -0.066 1.00 0.18 N ATOM 742 CA ALA A 48 -4.412 -4.755 0.691 1.00 0.17 C ATOM 743 C ALA A 48 -4.196 -3.964 1.965 1.00 0.14 C ATOM 744 O ALA A 48 -5.032 -3.165 2.365 1.00 0.16 O ATOM 745 CB ALA A 48 -4.904 -6.154 1.017 1.00 0.19 C ATOM 0 H ALA A 48 -2.755 -5.754 -0.090 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.168 -4.249 0.090 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.832 -6.090 1.586 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.083 -6.702 0.092 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.151 -6.676 1.608 1.00 0.19 H new ATOM 751 N GLN A 49 -3.034 -4.176 2.559 1.00 0.13 N ATOM 752 CA GLN A 49 -2.697 -3.631 3.862 1.00 0.13 C ATOM 753 C GLN A 49 -2.710 -2.127 3.854 1.00 0.12 C ATOM 754 O GLN A 49 -3.273 -1.493 4.733 1.00 0.13 O ATOM 755 CB GLN A 49 -1.295 -4.083 4.254 1.00 0.15 C ATOM 756 CG GLN A 49 -0.751 -3.406 5.493 1.00 0.20 C ATOM 757 CD GLN A 49 -1.331 -3.964 6.776 1.00 0.33 C ATOM 758 OE1 GLN A 49 -0.800 -4.909 7.355 1.00 0.94 O ATOM 759 NE2 GLN A 49 -2.441 -3.395 7.217 1.00 1.35 N ATOM 0 H GLN A 49 -2.290 -4.738 2.145 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.443 -3.991 4.571 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.305 -5.161 4.417 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.617 -3.892 3.422 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.333 -3.515 5.513 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.963 -2.338 5.439 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -2.850 -2.612 6.707 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.887 -3.739 8.067 1.00 1.35 H new ATOM 768 N LEU A 50 -2.061 -1.577 2.863 1.00 0.12 N ATOM 769 CA LEU A 50 -1.918 -0.141 2.750 1.00 0.12 C ATOM 770 C LEU A 50 -3.287 0.540 2.653 1.00 0.12 C ATOM 771 O LEU A 50 -3.629 1.416 3.456 1.00 0.13 O ATOM 772 CB LEU A 50 -1.080 0.157 1.514 1.00 0.12 C ATOM 773 CG LEU A 50 0.352 -0.403 1.527 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.025 -0.176 0.186 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.152 0.238 2.636 1.00 0.13 C ATOM 0 H LEU A 50 -1.616 -2.105 2.112 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.425 0.252 3.639 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.598 -0.242 0.642 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.026 1.238 1.386 1.00 0.12 H new ATOM 0 HG LEU A 50 0.304 -1.477 1.708 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.037 -0.579 0.214 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.456 -0.679 -0.596 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.065 0.893 -0.025 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.164 -0.167 2.635 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.192 1.316 2.480 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.678 0.028 3.595 1.00 0.13 H new ATOM 787 N VAL A 51 -4.089 0.075 1.715 1.00 0.11 N ATOM 788 CA VAL A 51 -5.437 0.595 1.517 1.00 0.10 C ATOM 789 C VAL A 51 -6.315 0.325 2.749 1.00 0.10 C ATOM 790 O VAL A 51 -7.148 1.154 3.123 1.00 0.10 O ATOM 791 CB VAL A 51 -6.013 -0.037 0.253 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.286 -0.806 0.517 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.222 1.032 -0.797 1.00 0.18 C ATOM 0 H VAL A 51 -3.830 -0.671 1.069 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.409 1.677 1.392 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.293 -0.767 -0.116 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.652 -1.234 -0.416 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.087 -1.606 1.230 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.039 -0.133 0.928 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.633 0.580 -1.700 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.916 1.783 -0.419 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.268 1.504 -1.030 1.00 0.18 H new ATOM 803 N GLU A 52 -6.079 -0.819 3.391 1.00 0.11 N ATOM 804 CA GLU A 52 -6.823 -1.227 4.580 1.00 0.12 C ATOM 805 C GLU A 52 -6.443 -0.383 5.793 1.00 0.13 C ATOM 806 O GLU A 52 -7.302 0.181 6.471 1.00 0.16 O ATOM 807 CB GLU A 52 -6.537 -2.707 4.881 1.00 0.17 C ATOM 808 CG GLU A 52 -6.846 -3.130 6.312 1.00 0.50 C ATOM 809 CD GLU A 52 -6.645 -4.611 6.549 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.507 -5.019 6.875 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.625 -5.376 6.430 1.00 0.74 O ATOM 0 H GLU A 52 -5.366 -1.488 3.100 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.885 -1.080 4.381 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.122 -3.324 4.199 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.486 -2.911 4.674 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.209 -2.569 6.996 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.877 -2.867 6.548 1.00 0.50 H new ATOM 818 N GLU A 53 -5.145 -0.265 6.029 1.00 0.13 N ATOM 819 CA GLU A 53 -4.634 0.335 7.250 1.00 0.15 C ATOM 820 C GLU A 53 -4.800 1.842 7.223 1.00 0.16 C ATOM 821 O GLU A 53 -4.837 2.490 8.271 1.00 0.19 O ATOM 822 CB GLU A 53 -3.170 -0.054 7.459 1.00 0.19 C ATOM 823 CG GLU A 53 -2.553 0.535 8.713 1.00 0.24 C ATOM 824 CD GLU A 53 -1.365 -0.266 9.206 1.00 0.84 C ATOM 825 OE1 GLU A 53 -1.581 -1.289 9.901 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.216 0.122 8.912 1.00 1.51 O ATOM 0 H GLU A 53 -4.421 -0.581 5.383 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.213 -0.046 8.091 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.095 -1.140 7.505 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.591 0.269 6.594 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.239 1.559 8.513 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.307 0.581 9.498 1.00 0.24 H new ATOM 833 N ALA A 54 -4.922 2.398 6.023 1.00 0.16 N ATOM 834 CA ALA A 54 -5.068 3.833 5.875 1.00 0.18 C ATOM 835 C ALA A 54 -6.258 4.347 6.675 1.00 0.21 C ATOM 836 O ALA A 54 -6.179 5.398 7.309 1.00 0.30 O ATOM 837 CB ALA A 54 -5.230 4.191 4.412 1.00 0.24 C ATOM 0 H ALA A 54 -4.922 1.877 5.146 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.167 4.309 6.262 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.339 5.271 4.312 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.351 3.862 3.857 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.117 3.698 4.013 1.00 0.24 H new ATOM 843 N THR A 55 -7.356 3.615 6.640 1.00 0.25 N ATOM 844 CA THR A 55 -8.527 3.988 7.415 1.00 0.33 C ATOM 845 C THR A 55 -8.862 2.974 8.513 1.00 0.29 C ATOM 846 O THR A 55 -9.720 3.232 9.356 1.00 0.39 O ATOM 847 CB THR A 55 -9.728 4.181 6.489 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.493 3.486 5.254 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.958 5.655 6.214 1.00 1.66 C ATOM 0 H THR A 55 -7.463 2.764 6.088 1.00 0.25 H new ATOM 0 HA THR A 55 -8.292 4.927 7.915 1.00 0.33 H new ATOM 0 HB THR A 55 -10.617 3.778 6.974 1.00 0.51 H new ATOM 0 HG1 THR A 55 -8.911 4.027 4.680 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.817 5.772 5.553 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.149 6.175 7.153 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.074 6.079 5.738 1.00 1.66 H new ATOM 857 N GLY A 56 -8.183 1.828 8.505 1.00 0.25 N ATOM 858 CA GLY A 56 -8.467 0.792 9.489 1.00 0.26 C ATOM 859 C GLY A 56 -9.614 -0.092 9.052 1.00 0.29 C ATOM 860 O GLY A 56 -10.241 -0.772 9.865 1.00 0.34 O ATOM 0 H GLY A 56 -7.445 1.598 7.839 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.576 0.183 9.644 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.708 1.255 10.446 1.00 0.26 H new ATOM 864 N VAL A 57 -9.877 -0.074 7.758 1.00 0.30 N ATOM 865 CA VAL A 57 -11.041 -0.725 7.180 1.00 0.36 C ATOM 866 C VAL A 57 -10.714 -2.150 6.749 1.00 0.29 C ATOM 867 O VAL A 57 -9.643 -2.404 6.219 1.00 0.26 O ATOM 868 CB VAL A 57 -11.527 0.079 5.959 1.00 0.50 C ATOM 869 CG1 VAL A 57 -12.808 -0.491 5.383 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.713 1.532 6.338 1.00 1.33 C ATOM 0 H VAL A 57 -9.285 0.396 7.073 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.824 -0.764 7.938 1.00 0.36 H new ATOM 0 HB VAL A 57 -10.764 0.006 5.184 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.117 0.104 4.524 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -12.639 -1.521 5.069 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.590 -0.467 6.142 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.057 2.093 5.469 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.452 1.608 7.135 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.764 1.942 6.683 1.00 1.33 H new ATOM 880 N PRO A 58 -11.633 -3.099 6.984 1.00 0.32 N ATOM 881 CA PRO A 58 -11.467 -4.500 6.563 1.00 0.34 C ATOM 882 C PRO A 58 -11.428 -4.663 5.052 1.00 0.31 C ATOM 883 O PRO A 58 -12.055 -3.910 4.302 1.00 0.27 O ATOM 884 CB PRO A 58 -12.726 -5.176 7.091 1.00 0.39 C ATOM 885 CG PRO A 58 -13.708 -4.063 7.171 1.00 0.39 C ATOM 886 CD PRO A 58 -12.916 -2.901 7.677 1.00 0.37 C ATOM 0 HA PRO A 58 -10.528 -4.912 6.934 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.068 -5.966 6.423 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.557 -5.634 8.066 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.147 -3.850 6.196 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.530 -4.306 7.844 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.378 -1.947 7.422 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.804 -2.921 8.761 1.00 0.37 H new ATOM 894 N LEU A 59 -10.723 -5.718 4.646 1.00 0.35 N ATOM 895 CA LEU A 59 -10.468 -6.049 3.244 1.00 0.36 C ATOM 896 C LEU A 59 -11.710 -6.005 2.341 1.00 0.36 C ATOM 897 O LEU A 59 -11.608 -5.516 1.222 1.00 0.37 O ATOM 898 CB LEU A 59 -9.825 -7.434 3.149 1.00 0.45 C ATOM 899 CG LEU A 59 -8.480 -7.578 3.864 1.00 1.21 C ATOM 900 CD1 LEU A 59 -7.930 -8.985 3.689 1.00 1.79 C ATOM 901 CD2 LEU A 59 -7.488 -6.548 3.346 1.00 2.08 C ATOM 0 H LEU A 59 -10.304 -6.382 5.297 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.797 -5.273 2.876 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.518 -8.168 3.561 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -9.687 -7.682 2.096 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.635 -7.401 4.928 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -6.973 -9.068 4.204 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.632 -9.705 4.109 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -7.790 -9.192 2.628 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.537 -6.665 3.866 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.337 -6.694 2.276 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -7.878 -5.546 3.524 1.00 2.08 H new ATOM 913 N PRO A 60 -12.889 -6.524 2.767 1.00 0.38 N ATOM 914 CA PRO A 60 -14.072 -6.573 1.897 1.00 0.41 C ATOM 915 C PRO A 60 -14.636 -5.189 1.574 1.00 0.38 C ATOM 916 O PRO A 60 -15.269 -4.995 0.537 1.00 0.46 O ATOM 917 CB PRO A 60 -15.093 -7.382 2.706 1.00 0.47 C ATOM 918 CG PRO A 60 -14.294 -8.062 3.758 1.00 0.52 C ATOM 919 CD PRO A 60 -13.191 -7.108 4.085 1.00 0.42 C ATOM 0 HA PRO A 60 -13.827 -7.011 0.929 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.853 -6.734 3.144 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.613 -8.104 2.076 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.902 -8.279 4.637 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -13.900 -9.013 3.401 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.506 -6.351 4.804 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.327 -7.615 4.514 1.00 0.42 H new ATOM 927 N PHE A 61 -14.382 -4.230 2.455 1.00 0.33 N ATOM 928 CA PHE A 61 -14.976 -2.899 2.348 1.00 0.34 C ATOM 929 C PHE A 61 -14.220 -1.996 1.392 1.00 0.28 C ATOM 930 O PHE A 61 -14.757 -0.986 0.928 1.00 0.31 O ATOM 931 CB PHE A 61 -15.037 -2.255 3.718 1.00 0.37 C ATOM 932 CG PHE A 61 -16.261 -2.645 4.498 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.305 -3.851 5.175 1.00 0.45 C ATOM 934 CD2 PHE A 61 -17.368 -1.815 4.547 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.427 -4.222 5.889 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.493 -2.180 5.262 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.523 -3.386 5.932 1.00 0.68 C ATOM 0 H PHE A 61 -13.764 -4.348 3.258 1.00 0.33 H new ATOM 0 HA PHE A 61 -15.981 -3.026 1.945 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.148 -2.534 4.284 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.015 -1.171 3.605 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.450 -4.511 5.144 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.352 -0.872 4.021 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.446 -5.166 6.413 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.348 -1.522 5.296 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.402 -3.674 6.489 1.00 0.68 H new ATOM 947 N GLN A 62 -12.989 -2.345 1.091 1.00 0.22 N ATOM 948 CA GLN A 62 -12.214 -1.561 0.159 1.00 0.19 C ATOM 949 C GLN A 62 -11.816 -2.397 -1.039 1.00 0.19 C ATOM 950 O GLN A 62 -11.371 -3.534 -0.902 1.00 0.33 O ATOM 951 CB GLN A 62 -10.957 -0.986 0.807 1.00 0.19 C ATOM 952 CG GLN A 62 -10.045 -2.033 1.410 1.00 0.25 C ATOM 953 CD GLN A 62 -9.760 -1.785 2.870 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.765 -0.647 3.334 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.500 -2.850 3.602 1.00 0.29 N ATOM 0 H GLN A 62 -12.508 -3.159 1.474 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.847 -0.734 -0.162 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.401 -0.421 0.059 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.251 -0.282 1.586 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.501 -3.016 1.295 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.105 -2.051 0.858 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.507 -3.776 3.175 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.292 -2.748 4.595 1.00 0.29 H new ATOM 964 N LYS A 63 -11.992 -1.844 -2.219 1.00 0.19 N ATOM 965 CA LYS A 63 -11.489 -2.480 -3.414 1.00 0.18 C ATOM 966 C LYS A 63 -10.212 -1.773 -3.834 1.00 0.13 C ATOM 967 O LYS A 63 -10.253 -0.778 -4.556 1.00 0.14 O ATOM 968 CB LYS A 63 -12.520 -2.440 -4.547 1.00 0.26 C ATOM 969 CG LYS A 63 -13.919 -2.873 -4.127 1.00 1.14 C ATOM 970 CD LYS A 63 -13.913 -4.222 -3.420 1.00 1.68 C ATOM 971 CE LYS A 63 -15.316 -4.636 -3.003 1.00 2.52 C ATOM 972 NZ LYS A 63 -15.309 -5.829 -2.117 1.00 3.15 N ATOM 0 H LYS A 63 -12.477 -0.960 -2.375 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.286 -3.530 -3.202 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.569 -1.426 -4.945 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.179 -3.084 -5.357 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -14.348 -2.120 -3.466 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.560 -2.928 -5.007 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.490 -4.979 -4.081 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.271 -4.171 -2.541 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -15.800 -3.806 -2.488 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -15.909 -4.849 -3.892 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -16.232 -6.306 -2.169 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.563 -6.485 -2.424 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -15.128 -5.532 -1.137 1.00 3.15 H new ATOM 986 N LEU A 64 -9.082 -2.282 -3.364 1.00 0.12 N ATOM 987 CA LEU A 64 -7.799 -1.658 -3.618 1.00 0.10 C ATOM 988 C LEU A 64 -7.320 -2.007 -5.007 1.00 0.12 C ATOM 989 O LEU A 64 -7.155 -3.186 -5.350 1.00 0.14 O ATOM 990 CB LEU A 64 -6.782 -2.094 -2.544 1.00 0.11 C ATOM 991 CG LEU A 64 -5.285 -1.809 -2.797 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.623 -2.914 -3.606 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.082 -0.474 -3.484 1.00 0.51 C ATOM 0 H LEU A 64 -9.032 -3.131 -2.801 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.904 -0.574 -3.563 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.059 -1.610 -1.607 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.896 -3.168 -2.394 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.808 -1.773 -1.817 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.571 -2.672 -3.760 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.703 -3.858 -3.066 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.120 -3.005 -4.572 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.017 -0.306 -3.646 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.599 -0.476 -4.443 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.483 0.322 -2.857 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.144 -0.954 -5.788 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.551 -1.025 -7.103 1.00 0.14 C ATOM 1007 C ILE A 65 -5.355 -0.090 -7.154 1.00 0.15 C ATOM 1008 O ILE A 65 -5.508 1.135 -7.053 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.558 -0.529 -8.144 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.858 -1.335 -8.072 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -6.959 -0.582 -9.545 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -9.958 -0.805 -8.970 1.00 1.20 C ATOM 0 H ILE A 65 -7.416 -0.010 -5.515 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.258 -2.055 -7.308 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.795 0.511 -7.919 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.648 -2.370 -8.343 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.214 -1.341 -7.042 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.692 -0.225 -10.268 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.072 0.050 -9.586 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.684 -1.609 -9.784 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.846 -1.428 -8.864 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.197 0.220 -8.686 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.623 -0.825 -10.007 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.175 -0.663 -7.206 1.00 0.17 N ATOM 1025 CA PHE A 66 -2.965 0.082 -7.474 1.00 0.18 C ATOM 1026 C PHE A 66 -1.816 -0.848 -7.778 1.00 0.20 C ATOM 1027 O PHE A 66 -1.838 -2.002 -7.351 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.622 1.115 -6.432 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.546 2.487 -7.056 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.650 2.740 -8.086 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.382 3.511 -6.642 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.588 3.985 -8.683 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.322 4.758 -7.231 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.425 4.994 -8.256 1.00 0.36 C ATOM 0 H PHE A 66 -4.026 -1.662 -7.063 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.166 0.672 -8.368 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.374 1.109 -5.643 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.669 0.867 -5.965 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -0.993 1.953 -8.425 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.091 3.331 -5.847 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -0.885 4.167 -9.483 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.975 5.548 -6.891 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.380 5.967 -8.722 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.869 -0.385 -8.586 1.00 0.22 N ATOM 1045 CA LYS A 67 0.340 -1.147 -8.950 1.00 0.25 C ATOM 1046 C LYS A 67 -0.044 -2.364 -9.765 1.00 0.28 C ATOM 1047 O LYS A 67 0.679 -3.359 -9.803 1.00 0.32 O ATOM 1048 CB LYS A 67 1.210 -1.587 -7.712 1.00 0.25 C ATOM 1049 CG LYS A 67 0.616 -1.370 -6.307 1.00 0.18 C ATOM 1050 CD LYS A 67 1.579 -1.857 -5.220 1.00 0.21 C ATOM 1051 CE LYS A 67 0.943 -1.911 -3.832 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.952 -1.736 -2.743 1.00 0.19 N ATOM 0 H LYS A 67 -0.911 0.539 -9.016 1.00 0.22 H new ATOM 0 HA LYS A 67 0.961 -0.472 -9.539 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.436 -2.648 -7.821 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.159 -1.052 -7.762 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.401 -0.312 -6.159 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.331 -1.902 -6.223 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.943 -2.850 -5.485 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.446 -1.197 -5.190 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.184 -1.133 -3.751 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.434 -2.866 -3.704 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.694 -2.334 -1.932 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.892 -2.013 -3.092 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.973 -0.740 -2.446 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.157 -2.238 -10.482 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.703 -3.347 -11.236 1.00 0.38 C ATOM 1068 C GLY A 68 -2.096 -4.486 -10.340 1.00 0.38 C ATOM 1069 O GLY A 68 -2.393 -5.591 -10.794 1.00 0.47 O ATOM 0 H GLY A 68 -1.695 -1.374 -10.553 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.573 -3.011 -11.800 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.966 -3.692 -11.962 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.114 -4.197 -9.062 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.401 -5.180 -8.055 1.00 0.33 C ATOM 1075 C LYS A 69 -3.692 -4.821 -7.358 1.00 0.24 C ATOM 1076 O LYS A 69 -4.043 -3.647 -7.224 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.258 -5.247 -7.049 1.00 0.41 C ATOM 1078 CG LYS A 69 0.103 -5.313 -7.710 1.00 0.62 C ATOM 1079 CD LYS A 69 1.221 -5.402 -6.698 1.00 0.58 C ATOM 1080 CE LYS A 69 1.503 -6.838 -6.318 1.00 0.44 C ATOM 1081 NZ LYS A 69 1.923 -7.645 -7.487 1.00 1.21 N ATOM 0 H LYS A 69 -1.928 -3.265 -8.692 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.507 -6.159 -8.523 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.300 -4.372 -6.400 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.391 -6.122 -6.413 1.00 0.41 H new ATOM 0 HG2 LYS A 69 0.143 -6.179 -8.371 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.247 -4.430 -8.332 1.00 0.62 H new ATOM 0 HD2 LYS A 69 2.123 -4.948 -7.108 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.955 -4.833 -5.807 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.284 -6.866 -5.558 1.00 0.44 H new ATOM 0 HE3 LYS A 69 0.610 -7.278 -5.874 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.590 -8.381 -7.179 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.089 -8.092 -7.918 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.385 -7.029 -8.186 1.00 1.21 H new ATOM 1095 N SER A 70 -4.396 -5.829 -6.933 1.00 0.23 N ATOM 1096 CA SER A 70 -5.659 -5.629 -6.268 1.00 0.21 C ATOM 1097 C SER A 70 -5.577 -6.210 -4.867 1.00 0.23 C ATOM 1098 O SER A 70 -4.793 -7.120 -4.629 1.00 0.31 O ATOM 1099 CB SER A 70 -6.771 -6.274 -7.092 1.00 0.24 C ATOM 1100 OG SER A 70 -6.479 -7.635 -7.366 1.00 1.27 O ATOM 0 H SER A 70 -4.118 -6.805 -7.034 1.00 0.23 H new ATOM 0 HA SER A 70 -5.886 -4.567 -6.179 1.00 0.21 H new ATOM 0 HB2 SER A 70 -7.716 -6.203 -6.553 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.897 -5.730 -8.028 1.00 0.24 H new ATOM 0 HG SER A 70 -7.207 -8.026 -7.893 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.346 -5.674 -3.934 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.204 -6.098 -2.540 1.00 0.21 C ATOM 1108 C LEU A 71 -6.699 -7.523 -2.297 1.00 0.26 C ATOM 1109 O LEU A 71 -7.777 -7.916 -2.743 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.868 -5.098 -1.555 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.407 -5.143 -1.365 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.154 -5.305 -2.682 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -8.813 -6.223 -0.371 1.00 1.21 C ATOM 0 H LEU A 71 -7.058 -4.963 -4.102 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.133 -6.099 -2.339 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.411 -5.246 -0.577 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.605 -4.091 -1.880 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.696 -4.176 -0.953 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.227 -5.331 -2.491 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.922 -4.466 -3.338 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.849 -6.235 -3.162 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -9.897 -6.227 -0.261 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.481 -7.195 -0.735 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.351 -6.020 0.595 1.00 1.21 H new ATOM 1125 N LYS A 72 -5.856 -8.283 -1.611 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.191 -9.592 -1.062 1.00 0.46 C ATOM 1127 C LYS A 72 -5.162 -9.926 0.009 1.00 0.66 C ATOM 1128 O LYS A 72 -4.220 -9.160 0.202 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.195 -10.696 -2.134 1.00 0.47 C ATOM 1130 CG LYS A 72 -7.492 -10.806 -2.932 1.00 0.87 C ATOM 1131 CD LYS A 72 -8.676 -11.148 -2.035 1.00 1.37 C ATOM 1132 CE LYS A 72 -8.519 -12.523 -1.408 1.00 2.01 C ATOM 1133 NZ LYS A 72 -9.587 -12.813 -0.415 1.00 2.72 N ATOM 0 H LYS A 72 -4.896 -8.000 -1.415 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.199 -9.548 -0.650 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -5.373 -10.514 -2.826 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.999 -11.653 -1.651 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -7.684 -9.864 -3.446 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -7.383 -11.572 -3.700 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -8.768 -10.397 -1.250 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -9.597 -11.115 -2.617 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -8.537 -13.281 -2.191 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -7.546 -12.590 -0.922 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -9.173 -13.291 0.411 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -10.031 -11.922 -0.113 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -10.305 -13.429 -0.847 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.318 -11.047 0.694 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.338 -11.441 1.699 1.00 0.83 C ATOM 1149 C GLU A 73 -3.052 -11.901 1.008 1.00 0.82 C ATOM 1150 O GLU A 73 -1.951 -11.510 1.388 1.00 1.56 O ATOM 1151 CB GLU A 73 -4.896 -12.528 2.642 1.00 1.03 C ATOM 1152 CG GLU A 73 -5.165 -13.885 1.997 1.00 1.62 C ATOM 1153 CD GLU A 73 -6.196 -13.829 0.889 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -7.406 -13.887 1.188 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -5.796 -13.708 -0.287 1.00 2.84 O ATOM 0 H GLU A 73 -6.099 -11.692 0.578 1.00 0.69 H new ATOM 0 HA GLU A 73 -4.110 -10.576 2.323 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -4.192 -12.669 3.462 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.825 -12.163 3.079 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -4.232 -14.280 1.596 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -5.503 -14.583 2.763 1.00 1.62 H new ATOM 1162 N MET A 74 -3.208 -12.709 -0.031 1.00 0.58 N ATOM 1163 CA MET A 74 -2.086 -13.148 -0.846 1.00 0.54 C ATOM 1164 C MET A 74 -2.445 -12.986 -2.314 1.00 0.47 C ATOM 1165 O MET A 74 -2.929 -13.927 -2.943 1.00 0.61 O ATOM 1166 CB MET A 74 -1.732 -14.613 -0.569 1.00 0.62 C ATOM 1167 CG MET A 74 -1.434 -14.923 0.890 1.00 1.44 C ATOM 1168 SD MET A 74 -1.031 -16.662 1.161 1.00 1.93 S ATOM 1169 CE MET A 74 -2.501 -17.455 0.511 1.00 2.96 C ATOM 0 H MET A 74 -4.111 -13.077 -0.331 1.00 0.58 H new ATOM 0 HA MET A 74 -1.219 -12.537 -0.595 1.00 0.54 H new ATOM 0 HB2 MET A 74 -2.558 -15.242 -0.900 1.00 0.62 H new ATOM 0 HB3 MET A 74 -0.864 -14.884 -1.170 1.00 0.62 H new ATOM 0 HG2 MET A 74 -0.602 -14.304 1.227 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.298 -14.655 1.499 1.00 1.44 H new ATOM 0 HE1 MET A 74 -2.586 -18.459 0.926 1.00 2.96 H new ATOM 0 HE2 MET A 74 -3.380 -16.873 0.786 1.00 2.96 H new ATOM 0 HE3 MET A 74 -2.432 -17.516 -0.575 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.242 -11.790 -2.851 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.678 -11.503 -4.201 1.00 0.33 C ATOM 1181 C GLU A 75 -1.545 -11.697 -5.224 1.00 0.30 C ATOM 1182 O GLU A 75 -1.226 -12.834 -5.573 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.301 -10.103 -4.244 1.00 0.38 C ATOM 1184 CG GLU A 75 -4.419 -9.945 -5.266 1.00 0.92 C ATOM 1185 CD GLU A 75 -3.930 -9.716 -6.682 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -3.341 -8.647 -6.948 1.00 2.49 O ATOM 1187 OE2 GLU A 75 -4.156 -10.593 -7.540 1.00 2.03 O ATOM 0 H GLU A 75 -1.783 -11.014 -2.374 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.446 -12.219 -4.493 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.692 -9.862 -3.255 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.519 -9.377 -4.464 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -5.043 -10.838 -5.248 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -5.052 -9.108 -4.971 1.00 0.92 H new ATOM 1194 N THR A 76 -0.925 -10.621 -5.697 1.00 0.27 N ATOM 1195 CA THR A 76 0.062 -10.751 -6.772 1.00 0.26 C ATOM 1196 C THR A 76 1.512 -10.575 -6.305 1.00 0.17 C ATOM 1197 O THR A 76 1.762 -9.916 -5.301 1.00 0.18 O ATOM 1198 CB THR A 76 -0.234 -9.792 -7.934 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.778 -8.563 -7.437 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.190 -10.432 -8.923 1.00 0.69 C ATOM 0 H THR A 76 -1.080 -9.669 -5.365 1.00 0.27 H new ATOM 0 HA THR A 76 -0.036 -11.779 -7.121 1.00 0.26 H new ATOM 0 HB THR A 76 0.701 -9.576 -8.451 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.757 -8.599 -7.475 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.388 -9.737 -9.739 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.745 -11.343 -9.322 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.125 -10.676 -8.419 1.00 0.69 H new ATOM 1208 N PRO A 77 2.471 -11.193 -7.043 1.00 0.19 N ATOM 1209 CA PRO A 77 3.920 -11.172 -6.771 1.00 0.18 C ATOM 1210 C PRO A 77 4.444 -9.962 -5.989 1.00 0.14 C ATOM 1211 O PRO A 77 4.172 -8.803 -6.316 1.00 0.16 O ATOM 1212 CB PRO A 77 4.491 -11.179 -8.178 1.00 0.30 C ATOM 1213 CG PRO A 77 3.554 -12.047 -8.954 1.00 0.36 C ATOM 1214 CD PRO A 77 2.211 -11.995 -8.253 1.00 0.28 C ATOM 0 HA PRO A 77 4.205 -12.002 -6.124 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.537 -10.172 -8.594 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.506 -11.576 -8.193 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.465 -11.695 -9.982 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.925 -13.071 -8.999 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.450 -11.533 -8.882 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.853 -12.993 -8.001 1.00 0.28 H new ATOM 1222 N LEU A 78 5.226 -10.284 -4.969 1.00 0.14 N ATOM 1223 CA LEU A 78 5.760 -9.327 -4.005 1.00 0.15 C ATOM 1224 C LEU A 78 6.762 -8.351 -4.621 1.00 0.16 C ATOM 1225 O LEU A 78 6.857 -7.205 -4.199 1.00 0.16 O ATOM 1226 CB LEU A 78 6.396 -10.087 -2.835 1.00 0.19 C ATOM 1227 CG LEU A 78 5.423 -10.937 -2.022 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.083 -12.236 -2.742 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.985 -11.236 -0.645 1.00 0.24 C ATOM 0 H LEU A 78 5.516 -11.244 -4.782 1.00 0.14 H new ATOM 0 HA LEU A 78 4.927 -8.721 -3.650 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.183 -10.732 -3.224 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.873 -9.368 -2.169 1.00 0.19 H new ATOM 0 HG LEU A 78 4.505 -10.360 -1.908 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.388 -12.817 -2.136 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.623 -12.009 -3.704 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.994 -12.812 -2.902 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.273 -11.843 -0.085 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.925 -11.779 -0.746 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.162 -10.301 -0.113 1.00 0.24 H new ATOM 1241 N SER A 79 7.526 -8.803 -5.597 1.00 0.18 N ATOM 1242 CA SER A 79 8.454 -7.917 -6.294 1.00 0.22 C ATOM 1243 C SER A 79 7.690 -6.758 -6.937 1.00 0.22 C ATOM 1244 O SER A 79 8.126 -5.609 -6.920 1.00 0.24 O ATOM 1245 CB SER A 79 9.224 -8.702 -7.352 1.00 0.27 C ATOM 1246 OG SER A 79 9.747 -9.901 -6.805 1.00 1.17 O ATOM 0 H SER A 79 7.527 -9.768 -5.927 1.00 0.18 H new ATOM 0 HA SER A 79 9.165 -7.507 -5.577 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.566 -8.935 -8.189 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.037 -8.091 -7.745 1.00 0.27 H new ATOM 0 HG SER A 79 10.236 -10.391 -7.499 1.00 1.17 H new ATOM 1252 N ALA A 80 6.527 -7.082 -7.479 1.00 0.20 N ATOM 1253 CA ALA A 80 5.651 -6.103 -8.108 1.00 0.22 C ATOM 1254 C ALA A 80 4.845 -5.321 -7.069 1.00 0.18 C ATOM 1255 O ALA A 80 4.057 -4.446 -7.419 1.00 0.19 O ATOM 1256 CB ALA A 80 4.722 -6.787 -9.098 1.00 0.27 C ATOM 0 H ALA A 80 6.162 -8.034 -7.496 1.00 0.20 H new ATOM 0 HA ALA A 80 6.277 -5.390 -8.644 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.073 -6.044 -9.561 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.313 -7.283 -9.868 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.114 -7.525 -8.576 1.00 0.27 H new ATOM 1262 N LEU A 81 5.043 -5.646 -5.794 1.00 0.14 N ATOM 1263 CA LEU A 81 4.189 -5.165 -4.710 1.00 0.13 C ATOM 1264 C LEU A 81 4.422 -3.680 -4.396 1.00 0.12 C ATOM 1265 O LEU A 81 4.079 -3.218 -3.316 1.00 0.11 O ATOM 1266 CB LEU A 81 4.402 -6.006 -3.450 1.00 0.13 C ATOM 1267 CG LEU A 81 3.146 -6.403 -2.659 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.150 -5.266 -2.561 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.502 -7.626 -3.280 1.00 0.19 C ATOM 0 H LEU A 81 5.802 -6.252 -5.482 1.00 0.14 H new ATOM 0 HA LEU A 81 3.158 -5.269 -5.047 1.00 0.13 H new ATOM 0 HB2 LEU A 81 4.926 -6.918 -3.736 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.064 -5.455 -2.782 1.00 0.13 H new ATOM 0 HG LEU A 81 3.459 -6.642 -1.643 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.279 -5.593 -1.993 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.614 -4.418 -2.057 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.839 -4.967 -3.562 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.613 -7.898 -2.711 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.220 -7.406 -4.310 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.209 -8.456 -3.267 1.00 0.19 H new ATOM 1281 N GLY A 82 4.992 -2.914 -5.317 1.00 0.12 N ATOM 1282 CA GLY A 82 5.237 -1.522 -5.003 1.00 0.12 C ATOM 1283 C GLY A 82 6.669 -1.214 -4.660 1.00 0.11 C ATOM 1284 O GLY A 82 6.906 -0.431 -3.742 1.00 0.12 O ATOM 0 H GLY A 82 5.281 -3.219 -6.247 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.939 -0.910 -5.854 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.603 -1.232 -4.165 1.00 0.12 H new ATOM 1288 N MET A 83 7.640 -1.846 -5.341 1.00 0.13 N ATOM 1289 CA MET A 83 9.036 -1.525 -5.054 1.00 0.15 C ATOM 1290 C MET A 83 9.362 -0.094 -5.503 1.00 0.15 C ATOM 1291 O MET A 83 9.863 0.172 -6.598 1.00 0.19 O ATOM 1292 CB MET A 83 9.969 -2.544 -5.734 1.00 0.20 C ATOM 1293 CG MET A 83 9.792 -2.661 -7.238 1.00 0.49 C ATOM 1294 SD MET A 83 10.895 -3.888 -7.962 1.00 0.97 S ATOM 1295 CE MET A 83 12.485 -3.306 -7.369 1.00 1.79 C ATOM 0 H MET A 83 7.489 -2.551 -6.062 1.00 0.13 H new ATOM 0 HA MET A 83 9.195 -1.584 -3.977 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.002 -2.267 -5.524 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.804 -3.523 -5.285 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.759 -2.928 -7.460 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.977 -1.691 -7.700 1.00 0.49 H new ATOM 0 HE1 MET A 83 13.252 -3.521 -8.113 1.00 1.79 H new ATOM 0 HE2 MET A 83 12.438 -2.231 -7.197 1.00 1.79 H new ATOM 0 HE3 MET A 83 12.733 -3.812 -6.436 1.00 1.79 H new ATOM 1305 N GLN A 84 9.031 0.802 -4.603 1.00 0.14 N ATOM 1306 CA GLN A 84 9.359 2.208 -4.601 1.00 0.15 C ATOM 1307 C GLN A 84 9.000 2.616 -3.203 1.00 0.16 C ATOM 1308 O GLN A 84 8.536 1.744 -2.478 1.00 0.16 O ATOM 1309 CB GLN A 84 8.589 3.006 -5.653 1.00 0.16 C ATOM 1310 CG GLN A 84 7.149 2.561 -5.848 1.00 0.61 C ATOM 1311 CD GLN A 84 6.468 3.286 -6.991 1.00 1.08 C ATOM 1312 OE1 GLN A 84 5.583 2.747 -7.648 1.00 1.79 O ATOM 1313 NE2 GLN A 84 6.876 4.516 -7.235 1.00 1.61 N ATOM 0 H GLN A 84 8.479 0.544 -3.785 1.00 0.14 H new ATOM 0 HA GLN A 84 10.400 2.401 -4.861 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.596 4.059 -5.370 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.113 2.928 -6.606 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.126 1.488 -6.038 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.591 2.734 -4.928 1.00 0.61 H new ATOM 0 HE21 GLN A 84 7.615 4.930 -6.667 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.453 5.053 -7.992 1.00 1.61 H new ATOM 1322 N ASN A 85 9.212 3.842 -2.755 1.00 0.17 N ATOM 1323 CA ASN A 85 8.674 4.153 -1.436 1.00 0.17 C ATOM 1324 C ASN A 85 7.178 3.893 -1.480 1.00 0.16 C ATOM 1325 O ASN A 85 6.445 4.641 -2.081 1.00 0.18 O ATOM 1326 CB ASN A 85 8.918 5.616 -1.018 1.00 0.19 C ATOM 1327 CG ASN A 85 8.348 6.620 -2.005 1.00 0.28 C ATOM 1328 OD1 ASN A 85 8.310 6.375 -3.210 1.00 1.22 O ATOM 1329 ND2 ASN A 85 7.889 7.751 -1.501 1.00 0.99 N ATOM 0 H ASN A 85 9.712 4.589 -3.237 1.00 0.17 H new ATOM 0 HA ASN A 85 9.181 3.527 -0.702 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.473 5.787 -0.038 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.990 5.784 -0.916 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.486 8.457 -2.117 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.938 7.918 -0.496 1.00 0.99 H new ATOM 1336 N GLY A 86 6.765 2.826 -0.821 1.00 0.15 N ATOM 1337 CA GLY A 86 5.369 2.448 -0.667 1.00 0.14 C ATOM 1338 C GLY A 86 4.543 2.282 -1.954 1.00 0.12 C ATOM 1339 O GLY A 86 3.610 1.477 -1.968 1.00 0.13 O ATOM 0 H GLY A 86 7.408 2.179 -0.365 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.332 1.508 -0.117 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.881 3.200 -0.046 1.00 0.14 H new ATOM 1343 N CYS A 87 4.898 2.998 -3.027 1.00 0.11 N ATOM 1344 CA CYS A 87 4.120 3.026 -4.264 1.00 0.12 C ATOM 1345 C CYS A 87 2.795 3.761 -4.046 1.00 0.12 C ATOM 1346 O CYS A 87 2.708 4.711 -3.262 1.00 0.17 O ATOM 1347 CB CYS A 87 3.860 1.606 -4.740 1.00 0.23 C ATOM 1348 SG CYS A 87 3.284 1.457 -6.449 1.00 0.94 S ATOM 0 H CYS A 87 5.738 3.576 -3.059 1.00 0.11 H new ATOM 0 HA CYS A 87 4.689 3.560 -5.026 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.779 1.030 -4.632 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.119 1.150 -4.083 1.00 0.23 H new ATOM 0 HG CYS A 87 4.172 1.963 -7.252 1.00 0.94 H new ATOM 1354 N ARG A 88 1.771 3.330 -4.759 1.00 0.12 N ATOM 1355 CA ARG A 88 0.444 3.883 -4.602 1.00 0.13 C ATOM 1356 C ARG A 88 -0.536 2.732 -4.413 1.00 0.12 C ATOM 1357 O ARG A 88 -0.270 1.627 -4.876 1.00 0.15 O ATOM 1358 CB ARG A 88 0.032 4.720 -5.822 1.00 0.19 C ATOM 1359 CG ARG A 88 1.121 5.610 -6.417 1.00 0.82 C ATOM 1360 CD ARG A 88 2.006 4.842 -7.393 1.00 0.41 C ATOM 1361 NE ARG A 88 2.823 5.725 -8.221 1.00 0.90 N ATOM 1362 CZ ARG A 88 3.371 5.357 -9.382 1.00 1.29 C ATOM 1363 NH1 ARG A 88 3.148 4.138 -9.872 1.00 1.26 N ATOM 1364 NH2 ARG A 88 4.126 6.211 -10.059 1.00 2.07 N ATOM 0 H ARG A 88 1.837 2.591 -5.459 1.00 0.12 H new ATOM 0 HA ARG A 88 0.437 4.543 -3.735 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.323 4.044 -6.600 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.811 5.350 -5.538 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.661 6.454 -6.930 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.734 6.020 -5.615 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.656 4.168 -6.836 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.380 4.223 -8.036 1.00 0.41 H new ATOM 0 HE ARG A 88 2.984 6.678 -7.894 1.00 0.90 H new ATOM 0 HH11 ARG A 88 2.557 3.483 -9.360 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.568 3.860 -10.759 1.00 1.26 H new ATOM 0 HH21 ARG A 88 4.288 7.149 -9.693 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.544 5.930 -10.946 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.626 2.985 -3.695 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.713 2.017 -3.503 1.00 0.11 C ATOM 1380 C VAL A 89 -4.018 2.752 -3.274 1.00 0.11 C ATOM 1381 O VAL A 89 -4.186 3.442 -2.269 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.484 1.059 -2.311 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.463 -0.010 -2.642 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.064 1.824 -1.074 1.00 0.18 C ATOM 0 H VAL A 89 -1.786 3.875 -3.223 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.744 1.415 -4.411 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.433 0.564 -2.107 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.329 -0.664 -1.780 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.813 -0.596 -3.492 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.512 0.460 -2.892 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.909 1.127 -0.250 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.136 2.360 -1.275 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.844 2.537 -0.805 1.00 0.18 H new ATOM 1394 N MET A 90 -4.942 2.657 -4.202 1.00 0.11 N ATOM 1395 CA MET A 90 -6.210 3.310 -3.970 1.00 0.12 C ATOM 1396 C MET A 90 -7.372 2.358 -4.036 1.00 0.12 C ATOM 1397 O MET A 90 -7.497 1.547 -4.947 1.00 0.13 O ATOM 1398 CB MET A 90 -6.421 4.516 -4.852 1.00 0.16 C ATOM 1399 CG MET A 90 -7.243 4.272 -6.098 1.00 0.68 C ATOM 1400 SD MET A 90 -7.313 5.720 -7.169 1.00 1.30 S ATOM 1401 CE MET A 90 -8.255 5.068 -8.545 1.00 1.92 C ATOM 0 H MET A 90 -4.850 2.158 -5.087 1.00 0.11 H new ATOM 0 HA MET A 90 -6.164 3.681 -2.946 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.906 5.295 -4.264 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.446 4.902 -5.150 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.819 3.434 -6.651 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.255 3.986 -5.812 1.00 0.68 H new ATOM 0 HE1 MET A 90 -7.615 5.002 -9.425 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.628 4.075 -8.293 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.096 5.729 -8.756 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.205 2.453 -3.039 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.358 1.605 -2.938 1.00 0.12 C ATOM 1413 C LEU A 91 -10.598 2.379 -3.300 1.00 0.14 C ATOM 1414 O LEU A 91 -10.815 3.499 -2.830 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.480 0.962 -1.541 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.708 1.867 -0.300 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.847 3.115 -0.319 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.182 2.231 -0.135 1.00 0.14 C ATOM 0 H LEU A 91 -8.104 3.120 -2.274 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.240 0.785 -3.647 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.303 0.249 -1.581 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.570 0.389 -1.365 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.400 1.279 0.565 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.048 3.710 0.572 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.795 2.831 -0.336 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.078 3.703 -1.207 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.304 2.865 0.743 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.526 2.767 -1.020 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.770 1.321 -0.011 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.400 1.809 -4.166 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.660 2.416 -4.478 1.00 0.23 C ATOM 1432 C ILE A 92 -13.777 1.562 -3.939 1.00 0.23 C ATOM 1433 O ILE A 92 -14.008 0.441 -4.388 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.852 2.659 -5.993 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.705 3.511 -6.545 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.193 3.339 -6.256 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.784 3.748 -8.038 1.00 0.51 C ATOM 0 H ILE A 92 -11.202 0.938 -4.659 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.676 3.397 -4.003 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.846 1.696 -6.503 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.701 4.473 -6.033 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.758 3.023 -6.314 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.314 3.503 -7.327 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.001 2.703 -5.893 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.224 4.297 -5.736 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.938 4.359 -8.355 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.757 2.792 -8.560 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.714 4.265 -8.276 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.443 2.115 -2.959 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.519 1.436 -2.292 1.00 0.28 C ATOM 1451 C GLY A 93 -15.895 2.182 -1.046 1.00 0.30 C ATOM 1452 O GLY A 93 -16.670 3.133 -1.101 1.00 0.45 O ATOM 0 H GLY A 93 -14.253 3.051 -2.601 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.380 1.360 -2.956 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.219 0.418 -2.041 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.320 1.792 0.076 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.596 2.480 1.314 1.00 0.26 C ATOM 1458 C GLU A 94 -14.411 2.428 2.274 1.00 0.24 C ATOM 1459 O GLU A 94 -13.983 1.354 2.686 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.836 1.874 1.957 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.343 2.657 3.152 1.00 0.98 C ATOM 1462 CD GLU A 94 -18.715 2.208 3.591 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.706 2.591 2.932 1.00 2.02 O ATOM 1464 OE2 GLU A 94 -18.812 1.469 4.593 1.00 2.17 O ATOM 0 H GLU A 94 -14.667 1.012 0.152 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.774 3.532 1.090 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.628 1.812 1.211 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.612 0.854 2.270 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -16.644 2.544 3.981 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -17.373 3.718 2.902 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.875 3.595 2.610 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.931 3.709 3.710 1.00 0.26 C ATOM 1473 C LYS A 95 -13.733 3.895 5.001 1.00 0.39 C ATOM 1474 O LYS A 95 -13.727 4.970 5.607 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.960 4.884 3.498 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.723 4.565 2.648 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.729 5.728 2.672 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.428 5.433 1.921 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.518 6.611 1.940 1.00 1.19 N ATOM 0 H LYS A 95 -14.079 4.475 2.135 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.324 2.806 3.767 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.503 5.703 3.027 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.629 5.241 4.473 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.242 3.662 3.024 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.025 4.361 1.621 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.201 6.608 2.235 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.494 5.974 3.708 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.929 4.577 2.375 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.654 5.161 0.890 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -7.009 6.671 1.035 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.075 7.478 2.082 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.833 6.508 2.716 1.00 1.19 H new ATOM 1493 N SER A 96 -14.442 2.835 5.384 1.00 0.46 N ATOM 1494 CA SER A 96 -15.414 2.869 6.472 1.00 0.65 C ATOM 1495 C SER A 96 -14.835 3.388 7.789 1.00 0.80 C ATOM 1496 O SER A 96 -13.842 2.871 8.300 1.00 0.99 O ATOM 1497 CB SER A 96 -15.970 1.464 6.694 1.00 0.74 C ATOM 1498 OG SER A 96 -16.324 0.861 5.464 1.00 1.30 O ATOM 0 H SER A 96 -14.356 1.920 4.942 1.00 0.46 H new ATOM 0 HA SER A 96 -16.198 3.564 6.172 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.227 0.851 7.204 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.843 1.513 7.344 1.00 0.74 H new ATOM 0 HG SER A 96 -16.626 -0.057 5.625 1.00 1.30 H new ATOM 1504 N ASN A 97 -15.477 4.413 8.323 1.00 1.03 N ATOM 1505 CA ASN A 97 -15.178 4.917 9.654 1.00 1.27 C ATOM 1506 C ASN A 97 -16.478 5.081 10.422 1.00 1.85 C ATOM 1507 O ASN A 97 -16.813 4.188 11.228 1.00 2.21 O ATOM 1508 CB ASN A 97 -14.433 6.256 9.590 1.00 1.62 C ATOM 1509 CG ASN A 97 -12.937 6.087 9.392 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.176 5.997 10.356 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -12.503 6.045 8.144 1.00 2.63 N ATOM 1512 OXT ASN A 97 -17.194 6.072 10.167 1.00 2.58 O ATOM 0 H ASN A 97 -16.222 4.921 7.846 1.00 1.03 H new ATOM 0 HA ASN A 97 -14.530 4.203 10.162 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -14.838 6.853 8.773 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -14.613 6.811 10.511 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -11.507 5.935 7.954 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -13.164 6.123 7.371 1.00 2.63 H new TER 1519 ASN A 97