USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 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 67 LYS NZ :NH3+ -169:sc= 2.08 (180deg=-0.445) USER MOD Set 1.2: A 87 CYS SG : rot -31:sc= -4.55! USER MOD Set 2.1: A 10 THR OG1 : rot 160:sc= -2! USER MOD Set 2.2: A 19 SER OG : rot 180:sc= -0.201 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -126:sc= 0.191 (180deg=-1.37) USER MOD Set 3.2: A 85 ASN : amide:sc= -4.89! C(o=-4.7!,f=-12!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.165 (180deg=-0.823) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.125 (180deg=-0.193) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.93) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -25:sc= -1.99! USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 24 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.57) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 61:sc= 0.34 USER MOD Single : A 36 GLN : amide:sc= -0.0013 K(o=-0.0013,f=-0.88) USER MOD Single : A 37 GLN : amide:sc= 0.718 K(o=0.72,f=-0.76) USER MOD Single : A 39 ASN : amide:sc= -1.75 K(o=-1.7,f=-5!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -70:sc= -1.28 USER MOD Single : A 62 GLN : amide:sc= -6.13! C(o=-6.1!,f=-9.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= -2.54! (180deg=-2.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= -0.0001 (180deg=-0.107) USER MOD Single : A 74 MET CE :methyl 162:sc= -0.294 (180deg=-0.845) USER MOD Single : A 76 THR OG1 : rot -131:sc= -1.77 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.69! C(o=-3.7!,f=-16!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= 2.13 (180deg=1.14) USER MOD Single : A 96 SER OG : rot 161:sc= -0.204 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.920 12.074 -8.745 1.00 4.19 N ATOM 2 CA MET A 1 0.860 10.871 -9.612 1.00 3.57 C ATOM 3 C MET A 1 2.258 10.354 -9.932 1.00 2.58 C ATOM 4 O MET A 1 2.430 9.180 -10.261 1.00 2.86 O ATOM 5 CB MET A 1 0.107 11.164 -10.915 1.00 4.32 C ATOM 6 CG MET A 1 0.750 12.239 -11.779 1.00 5.05 C ATOM 7 SD MET A 1 -0.015 12.367 -13.407 1.00 6.03 S ATOM 8 CE MET A 1 0.434 10.780 -14.111 1.00 6.63 C ATOM 0 H1 MET A 1 -0.044 12.355 -8.473 1.00 4.19 H new ATOM 0 H2 MET A 1 1.472 11.859 -7.890 1.00 4.19 H new ATOM 0 H3 MET A 1 1.374 12.853 -9.263 1.00 4.19 H new ATOM 0 HA MET A 1 0.319 10.102 -9.060 1.00 3.57 H new ATOM 0 HB2 MET A 1 0.034 10.244 -11.494 1.00 4.32 H new ATOM 0 HB3 MET A 1 -0.911 11.469 -10.672 1.00 4.32 H new ATOM 0 HG2 MET A 1 0.678 13.200 -11.271 1.00 5.05 H new ATOM 0 HG3 MET A 1 1.811 12.020 -11.896 1.00 5.05 H new ATOM 0 HE1 MET A 1 0.410 10.845 -15.199 1.00 6.63 H new ATOM 0 HE2 MET A 1 1.438 10.509 -13.786 1.00 6.63 H new ATOM 0 HE3 MET A 1 -0.273 10.021 -13.777 1.00 6.63 H new ATOM 20 N ALA A 2 3.254 11.226 -9.845 1.00 2.10 N ATOM 21 CA ALA A 2 4.628 10.835 -10.106 1.00 1.89 C ATOM 22 C ALA A 2 5.249 10.219 -8.860 1.00 1.69 C ATOM 23 O ALA A 2 5.215 10.811 -7.778 1.00 2.38 O ATOM 24 CB ALA A 2 5.443 12.033 -10.573 1.00 2.89 C ATOM 0 H ALA A 2 3.134 12.208 -9.596 1.00 2.10 H new ATOM 0 HA ALA A 2 4.631 10.087 -10.899 1.00 1.89 H new ATOM 0 HB1 ALA A 2 6.470 11.722 -10.764 1.00 2.89 H new ATOM 0 HB2 ALA A 2 5.009 12.434 -11.489 1.00 2.89 H new ATOM 0 HB3 ALA A 2 5.434 12.802 -9.801 1.00 2.89 H new ATOM 30 N LYS A 3 5.794 9.020 -9.011 1.00 1.22 N ATOM 31 CA LYS A 3 6.416 8.322 -7.897 1.00 0.97 C ATOM 32 C LYS A 3 7.288 7.188 -8.400 1.00 1.06 C ATOM 33 O LYS A 3 6.811 6.284 -9.085 1.00 1.96 O ATOM 34 CB LYS A 3 5.358 7.759 -6.952 1.00 0.75 C ATOM 35 CG LYS A 3 5.933 7.224 -5.654 1.00 0.46 C ATOM 36 CD LYS A 3 4.861 6.531 -4.839 1.00 0.42 C ATOM 37 CE LYS A 3 5.054 6.767 -3.357 1.00 0.29 C ATOM 38 NZ LYS A 3 5.018 8.210 -2.997 1.00 0.44 N ATOM 0 H LYS A 3 5.818 8.511 -9.895 1.00 1.22 H new ATOM 0 HA LYS A 3 7.032 9.041 -7.357 1.00 0.97 H new ATOM 0 HB2 LYS A 3 4.632 8.540 -6.725 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.818 6.959 -7.458 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.742 6.525 -5.869 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.364 8.042 -5.077 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.879 6.895 -5.142 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.881 5.461 -5.044 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.276 6.239 -2.805 1.00 0.29 H new ATOM 0 HE3 LYS A 3 6.009 6.343 -3.047 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.879 8.458 -2.469 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 4.966 8.783 -3.864 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.183 8.400 -2.406 1.00 0.44 H new ATOM 52 N THR A 4 8.561 7.241 -8.043 1.00 0.55 N ATOM 53 CA THR A 4 9.525 6.223 -8.435 1.00 0.59 C ATOM 54 C THR A 4 10.730 6.250 -7.504 1.00 0.59 C ATOM 55 O THR A 4 10.785 5.518 -6.513 1.00 0.84 O ATOM 56 CB THR A 4 10.010 6.411 -9.895 1.00 0.79 C ATOM 57 OG1 THR A 4 10.083 7.811 -10.213 1.00 1.37 O ATOM 58 CG2 THR A 4 9.105 5.703 -10.891 1.00 1.30 C ATOM 0 H THR A 4 8.956 7.990 -7.474 1.00 0.55 H new ATOM 0 HA THR A 4 9.018 5.261 -8.364 1.00 0.59 H new ATOM 0 HB THR A 4 11.001 5.964 -9.971 1.00 0.79 H new ATOM 0 HG1 THR A 4 10.392 7.921 -11.137 1.00 1.37 H new ATOM 0 HG21 THR A 4 9.482 5.861 -11.901 1.00 1.30 H new ATOM 0 HG22 THR A 4 9.089 4.635 -10.673 1.00 1.30 H new ATOM 0 HG23 THR A 4 8.095 6.104 -10.814 1.00 1.30 H new ATOM 66 N GLU A 5 11.670 7.132 -7.806 1.00 0.65 N ATOM 67 CA GLU A 5 12.900 7.228 -7.040 1.00 0.77 C ATOM 68 C GLU A 5 12.686 8.034 -5.763 1.00 0.71 C ATOM 69 O GLU A 5 12.416 9.236 -5.795 1.00 1.25 O ATOM 70 CB GLU A 5 14.013 7.824 -7.900 1.00 1.05 C ATOM 71 CG GLU A 5 13.652 9.142 -8.560 1.00 1.70 C ATOM 72 CD GLU A 5 14.663 9.555 -9.604 1.00 2.55 C ATOM 73 OE1 GLU A 5 15.847 9.732 -9.254 1.00 2.70 O ATOM 74 OE2 GLU A 5 14.277 9.703 -10.783 1.00 3.43 O ATOM 0 H GLU A 5 11.603 7.793 -8.580 1.00 0.65 H new ATOM 0 HA GLU A 5 13.204 6.225 -6.742 1.00 0.77 H new ATOM 0 HB2 GLU A 5 14.897 7.972 -7.279 1.00 1.05 H new ATOM 0 HB3 GLU A 5 14.283 7.105 -8.674 1.00 1.05 H new ATOM 0 HG2 GLU A 5 12.669 9.057 -9.023 1.00 1.70 H new ATOM 0 HG3 GLU A 5 13.580 9.919 -7.799 1.00 1.70 H new ATOM 81 N GLU A 6 12.805 7.338 -4.646 1.00 0.58 N ATOM 82 CA GLU A 6 12.576 7.898 -3.324 1.00 0.45 C ATOM 83 C GLU A 6 12.916 6.863 -2.285 1.00 0.38 C ATOM 84 O GLU A 6 13.986 6.878 -1.676 1.00 0.44 O ATOM 85 CB GLU A 6 11.105 8.252 -3.116 1.00 0.45 C ATOM 86 CG GLU A 6 10.779 9.732 -3.118 1.00 0.66 C ATOM 87 CD GLU A 6 11.761 10.563 -2.314 1.00 1.75 C ATOM 88 OE1 GLU A 6 12.853 10.864 -2.835 1.00 2.17 O ATOM 89 OE2 GLU A 6 11.453 10.904 -1.151 1.00 2.53 O ATOM 0 H GLU A 6 13.068 6.352 -4.631 1.00 0.58 H new ATOM 0 HA GLU A 6 13.193 8.792 -3.236 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.520 7.769 -3.898 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.779 7.828 -2.166 1.00 0.45 H new ATOM 0 HG2 GLU A 6 10.765 10.093 -4.147 1.00 0.66 H new ATOM 0 HG3 GLU A 6 9.776 9.877 -2.716 1.00 0.66 H new ATOM 96 N MET A 7 11.968 5.947 -2.134 1.00 0.32 N ATOM 97 CA MET A 7 11.978 4.927 -1.101 1.00 0.29 C ATOM 98 C MET A 7 11.913 5.520 0.300 1.00 0.34 C ATOM 99 O MET A 7 11.045 5.147 1.059 1.00 0.70 O ATOM 100 CB MET A 7 13.143 3.958 -1.276 1.00 0.35 C ATOM 101 CG MET A 7 12.791 2.846 -2.243 1.00 0.30 C ATOM 102 SD MET A 7 14.223 1.926 -2.845 1.00 0.45 S ATOM 103 CE MET A 7 14.764 1.114 -1.343 1.00 1.60 C ATOM 0 H MET A 7 11.152 5.894 -2.743 1.00 0.32 H new ATOM 0 HA MET A 7 11.065 4.343 -1.221 1.00 0.29 H new ATOM 0 HB2 MET A 7 14.017 4.498 -1.641 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.413 3.531 -0.310 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.106 2.154 -1.753 1.00 0.30 H new ATOM 0 HG3 MET A 7 12.260 3.272 -3.094 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.644 0.506 -1.555 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.013 1.865 -0.593 1.00 1.60 H new ATOM 0 HE3 MET A 7 13.965 0.476 -0.966 1.00 1.60 H new ATOM 113 N VAL A 8 12.764 6.472 0.622 1.00 0.31 N ATOM 114 CA VAL A 8 12.813 7.016 1.974 1.00 0.30 C ATOM 115 C VAL A 8 11.771 8.124 2.225 1.00 0.31 C ATOM 116 O VAL A 8 12.061 9.312 2.090 1.00 0.46 O ATOM 117 CB VAL A 8 14.231 7.535 2.314 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.179 6.367 2.539 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.767 8.440 1.208 1.00 1.12 C ATOM 0 H VAL A 8 13.431 6.888 -0.028 1.00 0.31 H new ATOM 0 HA VAL A 8 12.562 6.188 2.637 1.00 0.30 H new ATOM 0 HB VAL A 8 14.164 8.122 3.230 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.173 6.746 2.777 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.815 5.757 3.366 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.229 5.760 1.635 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.764 8.789 1.475 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.816 7.882 0.273 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.104 9.296 1.085 1.00 1.12 H new ATOM 129 N GLN A 9 10.550 7.732 2.605 1.00 0.23 N ATOM 130 CA GLN A 9 9.570 8.692 3.112 1.00 0.24 C ATOM 131 C GLN A 9 9.113 8.361 4.549 1.00 0.26 C ATOM 132 O GLN A 9 9.184 9.220 5.425 1.00 0.38 O ATOM 133 CB GLN A 9 8.369 8.813 2.174 1.00 0.26 C ATOM 134 CG GLN A 9 8.654 9.654 0.936 1.00 0.31 C ATOM 135 CD GLN A 9 7.395 10.036 0.177 1.00 1.15 C ATOM 136 OE1 GLN A 9 7.417 10.225 -1.041 1.00 1.97 O ATOM 137 NE2 GLN A 9 6.287 10.162 0.894 1.00 1.86 N ATOM 0 H GLN A 9 10.221 6.767 2.571 1.00 0.23 H new ATOM 0 HA GLN A 9 10.073 9.659 3.148 1.00 0.24 H new ATOM 0 HB2 GLN A 9 8.057 7.816 1.863 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.534 9.253 2.719 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.182 10.560 1.233 1.00 0.31 H new ATOM 0 HG3 GLN A 9 9.318 9.101 0.272 1.00 0.31 H new ATOM 0 HE21 GLN A 9 6.309 9.997 1.900 1.00 1.86 H new ATOM 0 HE22 GLN A 9 5.412 10.424 0.439 1.00 1.86 H new ATOM 146 N THR A 10 8.667 7.130 4.804 1.00 0.21 N ATOM 147 CA THR A 10 8.198 6.737 6.145 1.00 0.21 C ATOM 148 C THR A 10 8.929 5.484 6.640 1.00 0.21 C ATOM 149 O THR A 10 8.688 4.389 6.143 1.00 0.21 O ATOM 150 CB THR A 10 6.682 6.454 6.148 1.00 0.23 C ATOM 151 OG1 THR A 10 5.970 7.586 5.617 1.00 0.26 O ATOM 152 CG2 THR A 10 6.184 6.163 7.557 1.00 0.28 C ATOM 0 H THR A 10 8.618 6.387 4.107 1.00 0.21 H new ATOM 0 HA THR A 10 8.412 7.573 6.811 1.00 0.21 H new ATOM 0 HB THR A 10 6.501 5.578 5.525 1.00 0.23 H new ATOM 0 HG1 THR A 10 5.079 7.303 5.323 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.112 5.967 7.531 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.703 5.290 7.953 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.380 7.023 8.197 1.00 0.28 H new ATOM 160 N GLU A 11 9.817 5.648 7.615 1.00 0.25 N ATOM 161 CA GLU A 11 10.685 4.553 8.051 1.00 0.28 C ATOM 162 C GLU A 11 10.013 3.629 9.076 1.00 0.25 C ATOM 163 O GLU A 11 9.024 3.989 9.714 1.00 0.40 O ATOM 164 CB GLU A 11 11.991 5.122 8.604 1.00 0.45 C ATOM 165 CG GLU A 11 13.117 4.106 8.725 1.00 0.47 C ATOM 166 CD GLU A 11 14.433 4.751 9.101 1.00 0.70 C ATOM 167 OE1 GLU A 11 15.127 5.260 8.203 1.00 1.50 O ATOM 168 OE2 GLU A 11 14.782 4.742 10.299 1.00 1.15 O ATOM 0 H GLU A 11 9.957 6.524 8.118 1.00 0.25 H new ATOM 0 HA GLU A 11 10.895 3.935 7.178 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.320 5.936 7.959 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.799 5.552 9.587 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.852 3.361 9.475 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.231 3.578 7.778 1.00 0.47 H new ATOM 175 N GLU A 12 10.592 2.437 9.207 1.00 0.31 N ATOM 176 CA GLU A 12 10.091 1.359 10.059 1.00 0.31 C ATOM 177 C GLU A 12 11.137 0.240 10.042 1.00 0.33 C ATOM 178 O GLU A 12 12.028 0.260 9.190 1.00 0.50 O ATOM 179 CB GLU A 12 8.726 0.863 9.551 1.00 0.38 C ATOM 180 CG GLU A 12 8.096 -0.259 10.363 1.00 0.56 C ATOM 181 CD GLU A 12 7.919 0.101 11.819 1.00 0.89 C ATOM 182 OE1 GLU A 12 6.935 0.789 12.156 1.00 1.56 O ATOM 183 OE2 GLU A 12 8.764 -0.323 12.633 1.00 1.37 O ATOM 0 H GLU A 12 11.447 2.187 8.710 1.00 0.31 H new ATOM 0 HA GLU A 12 9.938 1.708 11.080 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.036 1.707 9.532 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.842 0.523 8.522 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.126 -0.511 9.935 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.719 -1.150 10.287 1.00 0.56 H new ATOM 190 N MET A 13 11.025 -0.729 10.948 1.00 0.38 N ATOM 191 CA MET A 13 12.117 -1.675 11.218 1.00 0.46 C ATOM 192 C MET A 13 12.652 -2.421 9.982 1.00 0.40 C ATOM 193 O MET A 13 13.866 -2.558 9.842 1.00 0.49 O ATOM 194 CB MET A 13 11.691 -2.683 12.281 1.00 0.61 C ATOM 195 CG MET A 13 11.399 -2.053 13.634 1.00 0.92 C ATOM 196 SD MET A 13 12.827 -1.185 14.315 1.00 1.76 S ATOM 197 CE MET A 13 12.135 -0.534 15.834 1.00 2.64 C ATOM 0 H MET A 13 10.189 -0.884 11.511 1.00 0.38 H new ATOM 0 HA MET A 13 12.944 -1.060 11.573 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.802 -3.209 11.935 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.477 -3.429 12.399 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.567 -1.355 13.534 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.083 -2.829 14.332 1.00 0.92 H new ATOM 0 HE1 MET A 13 12.899 0.030 16.370 1.00 2.64 H new ATOM 0 HE2 MET A 13 11.297 0.122 15.600 1.00 2.64 H new ATOM 0 HE3 MET A 13 11.788 -1.358 16.458 1.00 2.64 H new ATOM 207 N GLU A 14 11.798 -2.901 9.078 1.00 0.30 N ATOM 208 CA GLU A 14 12.318 -3.537 7.868 1.00 0.28 C ATOM 209 C GLU A 14 12.116 -2.665 6.633 1.00 0.31 C ATOM 210 O GLU A 14 12.751 -2.876 5.615 1.00 0.61 O ATOM 211 CB GLU A 14 11.678 -4.907 7.650 1.00 0.33 C ATOM 212 CG GLU A 14 12.271 -5.683 6.479 1.00 0.45 C ATOM 213 CD GLU A 14 13.757 -5.937 6.640 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.130 -6.801 7.460 1.00 1.33 O ATOM 215 OE2 GLU A 14 14.555 -5.284 5.940 1.00 1.19 O ATOM 0 H GLU A 14 10.781 -2.865 9.153 1.00 0.30 H new ATOM 0 HA GLU A 14 13.390 -3.667 8.016 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.789 -5.498 8.559 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.609 -4.776 7.483 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.752 -6.636 6.380 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.099 -5.129 5.556 1.00 0.45 H new ATOM 222 N THR A 15 11.241 -1.683 6.727 1.00 0.20 N ATOM 223 CA THR A 15 10.937 -0.823 5.588 1.00 0.18 C ATOM 224 C THR A 15 12.137 0.032 5.236 1.00 0.21 C ATOM 225 O THR A 15 12.879 0.460 6.122 1.00 0.30 O ATOM 226 CB THR A 15 9.760 0.111 5.888 1.00 0.23 C ATOM 227 OG1 THR A 15 10.140 1.009 6.921 1.00 1.04 O ATOM 228 CG2 THR A 15 8.543 -0.682 6.324 1.00 0.90 C ATOM 0 H THR A 15 10.726 -1.457 7.578 1.00 0.20 H new ATOM 0 HA THR A 15 10.677 -1.477 4.756 1.00 0.18 H new ATOM 0 HB THR A 15 9.503 0.663 4.984 1.00 0.23 H new ATOM 0 HG1 THR A 15 10.845 0.601 7.466 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.719 0.001 6.532 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.253 -1.369 5.529 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.781 -1.248 7.225 1.00 0.90 H new ATOM 236 N PRO A 16 12.340 0.323 3.948 1.00 0.21 N ATOM 237 CA PRO A 16 13.391 1.213 3.525 1.00 0.24 C ATOM 238 C PRO A 16 12.876 2.632 3.589 1.00 0.21 C ATOM 239 O PRO A 16 13.099 3.445 2.688 1.00 0.22 O ATOM 240 CB PRO A 16 13.688 0.759 2.099 1.00 0.28 C ATOM 241 CG PRO A 16 12.461 0.047 1.622 1.00 0.26 C ATOM 242 CD PRO A 16 11.531 -0.125 2.804 1.00 0.19 C ATOM 0 HA PRO A 16 14.291 1.189 4.140 1.00 0.24 H new ATOM 0 HB2 PRO A 16 13.917 1.611 1.459 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.555 0.099 2.073 1.00 0.28 H new ATOM 0 HG2 PRO A 16 11.972 0.617 0.832 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.723 -0.923 1.199 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.627 0.474 2.693 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.215 -1.162 2.918 1.00 0.19 H new ATOM 250 N ARG A 17 12.159 2.886 4.686 1.00 0.21 N ATOM 251 CA ARG A 17 11.487 4.139 4.929 1.00 0.21 C ATOM 252 C ARG A 17 10.410 4.366 3.870 1.00 0.19 C ATOM 253 O ARG A 17 10.270 5.443 3.363 1.00 0.28 O ATOM 254 CB ARG A 17 12.513 5.285 4.951 1.00 0.26 C ATOM 255 CG ARG A 17 11.947 6.621 5.406 1.00 0.39 C ATOM 256 CD ARG A 17 13.026 7.675 5.571 1.00 0.37 C ATOM 257 NE ARG A 17 13.866 7.419 6.736 1.00 1.13 N ATOM 258 CZ ARG A 17 14.220 8.353 7.616 1.00 1.48 C ATOM 259 NH1 ARG A 17 13.860 9.617 7.429 1.00 1.46 N ATOM 260 NH2 ARG A 17 14.942 8.015 8.674 1.00 2.42 N ATOM 0 H ARG A 17 12.034 2.206 5.436 1.00 0.21 H new ATOM 0 HA ARG A 17 10.996 4.110 5.902 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.336 5.008 5.610 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.931 5.402 3.951 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.211 6.968 4.681 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.423 6.488 6.353 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.647 7.702 4.675 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.562 8.657 5.667 1.00 0.37 H new ATOM 0 HE ARG A 17 14.202 6.468 6.885 1.00 1.13 H new ATOM 0 HH11 ARG A 17 13.311 9.875 6.609 1.00 1.46 H new ATOM 0 HH12 ARG A 17 14.133 10.330 8.105 1.00 1.46 H new ATOM 0 HH21 ARG A 17 15.223 7.044 8.810 1.00 2.42 H new ATOM 0 HH22 ARG A 17 15.217 8.726 9.352 1.00 2.42 H new ATOM 274 N LEU A 18 9.571 3.384 3.617 1.00 0.16 N ATOM 275 CA LEU A 18 8.716 3.437 2.433 1.00 0.14 C ATOM 276 C LEU A 18 7.295 3.904 2.737 1.00 0.13 C ATOM 277 O LEU A 18 6.568 3.271 3.510 1.00 0.15 O ATOM 278 CB LEU A 18 8.612 2.062 1.822 1.00 0.19 C ATOM 279 CG LEU A 18 9.257 1.866 0.454 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.693 2.312 0.468 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.154 0.408 0.028 1.00 0.27 C ATOM 0 H LEU A 18 9.457 2.553 4.197 1.00 0.16 H new ATOM 0 HA LEU A 18 9.180 4.155 1.757 1.00 0.14 H new ATOM 0 HB2 LEU A 18 9.059 1.348 2.514 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.556 1.806 1.739 1.00 0.19 H new ATOM 0 HG LEU A 18 8.721 2.481 -0.269 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.130 2.162 -0.519 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.743 3.369 0.730 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.248 1.729 1.203 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.618 0.281 -0.950 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.665 -0.221 0.757 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.105 0.119 -0.028 1.00 0.27 H new ATOM 293 N SER A 19 6.888 4.983 2.064 1.00 0.16 N ATOM 294 CA SER A 19 5.570 5.564 2.258 1.00 0.16 C ATOM 295 C SER A 19 4.738 5.503 0.983 1.00 0.14 C ATOM 296 O SER A 19 5.180 5.889 -0.093 1.00 0.18 O ATOM 297 CB SER A 19 5.726 6.998 2.711 1.00 0.23 C ATOM 298 OG SER A 19 4.475 7.641 2.867 1.00 0.67 O ATOM 0 H SER A 19 7.462 5.471 1.376 1.00 0.16 H new ATOM 0 HA SER A 19 5.044 4.987 3.019 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.268 7.023 3.657 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.327 7.545 1.985 1.00 0.23 H new ATOM 0 HG SER A 19 4.617 8.565 3.162 1.00 0.67 H new ATOM 304 N VAL A 20 3.526 5.030 1.141 1.00 0.14 N ATOM 305 CA VAL A 20 2.619 4.761 0.043 1.00 0.14 C ATOM 306 C VAL A 20 1.464 5.761 0.014 1.00 0.13 C ATOM 307 O VAL A 20 1.098 6.351 1.038 1.00 0.14 O ATOM 308 CB VAL A 20 2.049 3.321 0.134 1.00 0.19 C ATOM 309 CG1 VAL A 20 2.872 2.474 1.087 1.00 0.89 C ATOM 310 CG2 VAL A 20 0.591 3.310 0.553 1.00 0.85 C ATOM 0 H VAL A 20 3.130 4.815 2.056 1.00 0.14 H new ATOM 0 HA VAL A 20 3.194 4.863 -0.878 1.00 0.14 H new ATOM 0 HB VAL A 20 2.110 2.892 -0.866 1.00 0.19 H new ATOM 0 HG11 VAL A 20 2.453 1.469 1.134 1.00 0.89 H new ATOM 0 HG12 VAL A 20 3.901 2.422 0.732 1.00 0.89 H new ATOM 0 HG13 VAL A 20 2.853 2.922 2.081 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.235 2.281 0.603 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.490 3.777 1.533 1.00 0.85 H new ATOM 0 HG23 VAL A 20 -0.001 3.864 -0.176 1.00 0.85 H new ATOM 320 N ILE A 21 0.907 5.946 -1.169 1.00 0.16 N ATOM 321 CA ILE A 21 -0.243 6.811 -1.362 1.00 0.18 C ATOM 322 C ILE A 21 -1.514 5.973 -1.371 1.00 0.16 C ATOM 323 O ILE A 21 -1.713 5.160 -2.272 1.00 0.20 O ATOM 324 CB ILE A 21 -0.129 7.536 -2.717 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.335 7.885 -2.997 1.00 0.23 C ATOM 326 CG2 ILE A 21 -0.998 8.785 -2.733 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.559 8.544 -4.341 1.00 0.73 C ATOM 0 H ILE A 21 1.239 5.500 -2.024 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.277 7.539 -0.551 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.486 6.872 -3.504 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.697 8.549 -2.212 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.932 6.975 -2.945 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.903 9.282 -3.698 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.039 8.506 -2.569 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.675 9.463 -1.943 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.620 8.761 -4.467 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.229 7.874 -5.134 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.990 9.472 -4.390 1.00 0.73 H new ATOM 339 N VAL A 22 -2.371 6.172 -0.378 1.00 0.14 N ATOM 340 CA VAL A 22 -3.648 5.475 -0.329 1.00 0.13 C ATOM 341 C VAL A 22 -4.781 6.462 -0.428 1.00 0.13 C ATOM 342 O VAL A 22 -4.853 7.400 0.364 1.00 0.20 O ATOM 343 CB VAL A 22 -3.849 4.683 0.974 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.060 3.777 0.857 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.611 3.888 1.327 1.00 0.20 C ATOM 0 H VAL A 22 -2.205 6.808 0.402 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.641 4.780 -1.168 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.025 5.393 1.782 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.191 3.222 1.786 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.948 4.380 0.666 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.913 3.077 0.034 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.783 3.339 2.253 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.389 3.185 0.524 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.768 4.567 1.459 1.00 0.20 H new ATOM 355 N THR A 23 -5.678 6.254 -1.369 1.00 0.15 N ATOM 356 CA THR A 23 -6.808 7.148 -1.499 1.00 0.18 C ATOM 357 C THR A 23 -8.088 6.411 -1.873 1.00 0.15 C ATOM 358 O THR A 23 -8.063 5.331 -2.466 1.00 0.16 O ATOM 359 CB THR A 23 -6.533 8.290 -2.513 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.683 9.139 -2.626 1.00 1.21 O ATOM 361 CG2 THR A 23 -6.169 7.750 -3.887 1.00 0.87 C ATOM 0 H THR A 23 -5.649 5.489 -2.043 1.00 0.15 H new ATOM 0 HA THR A 23 -6.952 7.593 -0.514 1.00 0.18 H new ATOM 0 HB THR A 23 -5.685 8.862 -2.136 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.498 9.857 -3.267 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.984 8.581 -4.567 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.271 7.137 -3.811 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.991 7.144 -4.269 1.00 0.87 H new ATOM 369 N HIS A 24 -9.195 6.975 -1.428 1.00 0.20 N ATOM 370 CA HIS A 24 -10.508 6.636 -1.938 1.00 0.24 C ATOM 371 C HIS A 24 -11.230 7.940 -2.213 1.00 0.34 C ATOM 372 O HIS A 24 -11.610 8.640 -1.272 1.00 0.38 O ATOM 373 CB HIS A 24 -11.302 5.802 -0.924 1.00 0.31 C ATOM 374 CG HIS A 24 -12.778 5.724 -1.215 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.298 5.506 -2.474 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.842 5.885 -0.399 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.616 5.533 -2.413 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.974 5.761 -1.166 1.00 0.96 N ATOM 0 H HIS A 24 -9.207 7.686 -0.697 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.413 6.036 -2.843 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.893 4.792 -0.901 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -11.160 6.226 0.070 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -13.809 6.076 0.663 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.289 5.392 -3.246 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.933 5.833 -0.827 1.00 0.96 H new ATOM 387 N SER A 25 -11.400 8.256 -3.490 1.00 0.41 N ATOM 388 CA SER A 25 -12.079 9.479 -3.937 1.00 0.55 C ATOM 389 C SER A 25 -11.273 10.749 -3.605 1.00 0.60 C ATOM 390 O SER A 25 -11.239 11.694 -4.394 1.00 0.99 O ATOM 391 CB SER A 25 -13.485 9.567 -3.330 1.00 0.63 C ATOM 392 OG SER A 25 -14.206 10.674 -3.844 1.00 1.17 O ATOM 0 H SER A 25 -11.070 7.670 -4.257 1.00 0.41 H new ATOM 0 HA SER A 25 -12.161 9.421 -5.022 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.031 8.647 -3.540 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.409 9.653 -2.246 1.00 0.63 H new ATOM 0 HG SER A 25 -15.098 10.700 -3.438 1.00 1.17 H new ATOM 398 N ASN A 26 -10.604 10.745 -2.457 1.00 0.44 N ATOM 399 CA ASN A 26 -9.930 11.928 -1.929 1.00 0.50 C ATOM 400 C ASN A 26 -9.193 11.575 -0.645 1.00 0.43 C ATOM 401 O ASN A 26 -8.106 12.081 -0.381 1.00 0.47 O ATOM 402 CB ASN A 26 -10.948 13.029 -1.621 1.00 0.65 C ATOM 403 CG ASN A 26 -10.305 14.314 -1.137 1.00 1.42 C ATOM 404 OD1 ASN A 26 -9.204 14.673 -1.557 1.00 2.19 O ATOM 405 ND2 ASN A 26 -10.991 15.013 -0.246 1.00 2.02 N ATOM 0 H ASN A 26 -10.513 9.920 -1.864 1.00 0.44 H new ATOM 0 HA ASN A 26 -9.224 12.283 -2.680 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -11.532 13.237 -2.518 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -11.644 12.670 -0.863 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -10.611 15.886 0.120 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -11.900 14.679 0.075 1.00 2.02 H new ATOM 412 N GLU A 27 -9.821 10.708 0.156 1.00 0.41 N ATOM 413 CA GLU A 27 -9.264 10.276 1.436 1.00 0.42 C ATOM 414 C GLU A 27 -7.871 9.709 1.234 1.00 0.37 C ATOM 415 O GLU A 27 -7.710 8.591 0.747 1.00 0.49 O ATOM 416 CB GLU A 27 -10.157 9.211 2.067 1.00 0.50 C ATOM 417 CG GLU A 27 -10.030 9.064 3.584 1.00 0.58 C ATOM 418 CD GLU A 27 -8.601 9.039 4.093 1.00 1.21 C ATOM 419 OE1 GLU A 27 -7.934 7.993 3.956 1.00 1.58 O ATOM 420 OE2 GLU A 27 -8.144 10.068 4.630 1.00 1.75 O ATOM 0 H GLU A 27 -10.724 10.290 -0.066 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.210 11.139 2.099 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.195 9.442 1.827 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -9.930 8.250 1.605 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -10.559 9.888 4.062 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.528 8.144 3.891 1.00 0.58 H new ATOM 427 N ARG A 28 -6.886 10.477 1.625 1.00 0.33 N ATOM 428 CA ARG A 28 -5.503 10.075 1.487 1.00 0.33 C ATOM 429 C ARG A 28 -4.831 9.985 2.846 1.00 0.30 C ATOM 430 O ARG A 28 -4.813 10.943 3.616 1.00 0.36 O ATOM 431 CB ARG A 28 -4.752 11.061 0.579 1.00 0.48 C ATOM 432 CG ARG A 28 -3.235 11.084 0.791 1.00 0.72 C ATOM 433 CD ARG A 28 -2.546 9.790 0.355 1.00 0.76 C ATOM 434 NE ARG A 28 -1.186 9.688 0.897 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.160 10.463 0.521 1.00 2.38 C ATOM 436 NH1 ARG A 28 -0.319 11.375 -0.432 1.00 2.45 N ATOM 437 NH2 ARG A 28 1.031 10.306 1.093 1.00 3.31 N ATOM 0 H ARG A 28 -7.016 11.396 2.047 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.475 9.087 1.028 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -4.958 10.808 -0.461 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -5.146 12.063 0.747 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.810 11.920 0.235 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.025 11.263 1.846 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -3.135 8.935 0.687 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -2.508 9.747 -0.733 1.00 0.76 H new ATOM 0 HE ARG A 28 -1.010 8.979 1.609 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -1.227 11.489 -0.883 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.467 11.961 -0.713 1.00 2.45 H new ATOM 0 HH21 ARG A 28 1.160 9.597 1.815 1.00 3.31 H new ATOM 0 HH22 ARG A 28 1.815 10.894 0.809 1.00 3.31 H new ATOM 451 N TYR A 29 -4.284 8.817 3.116 1.00 0.28 N ATOM 452 CA TYR A 29 -3.447 8.588 4.274 1.00 0.27 C ATOM 453 C TYR A 29 -2.134 8.021 3.769 1.00 0.25 C ATOM 454 O TYR A 29 -2.146 7.177 2.868 1.00 0.27 O ATOM 455 CB TYR A 29 -4.120 7.603 5.244 1.00 0.34 C ATOM 456 CG TYR A 29 -3.466 7.513 6.609 1.00 0.93 C ATOM 457 CD1 TYR A 29 -3.750 8.444 7.599 1.00 1.65 C ATOM 458 CD2 TYR A 29 -2.556 6.507 6.899 1.00 1.30 C ATOM 459 CE1 TYR A 29 -3.146 8.375 8.839 1.00 2.31 C ATOM 460 CE2 TYR A 29 -1.945 6.431 8.137 1.00 1.95 C ATOM 461 CZ TYR A 29 -2.288 7.328 9.122 1.00 2.36 C ATOM 462 OH TYR A 29 -1.636 7.300 10.340 1.00 3.09 O ATOM 0 H TYR A 29 -4.410 7.992 2.530 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.284 9.518 4.819 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -5.162 7.896 5.374 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -4.122 6.612 4.791 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.456 9.236 7.396 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -2.321 5.771 6.145 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -3.342 9.133 9.582 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -1.202 5.671 8.330 1.00 1.95 H new ATOM 0 HH TYR A 29 -1.070 6.502 10.390 1.00 3.09 H new ATOM 472 N ASP A 30 -1.010 8.496 4.272 1.00 0.27 N ATOM 473 CA ASP A 30 0.248 7.909 3.860 1.00 0.30 C ATOM 474 C ASP A 30 0.439 6.617 4.635 1.00 0.25 C ATOM 475 O ASP A 30 0.461 6.588 5.867 1.00 0.34 O ATOM 476 CB ASP A 30 1.431 8.871 4.051 1.00 0.50 C ATOM 477 CG ASP A 30 1.818 9.091 5.497 1.00 1.27 C ATOM 478 OD1 ASP A 30 1.089 9.818 6.204 1.00 1.99 O ATOM 479 OD2 ASP A 30 2.869 8.561 5.922 1.00 2.01 O ATOM 0 H ASP A 30 -0.942 9.261 4.944 1.00 0.27 H new ATOM 0 HA ASP A 30 0.217 7.699 2.791 1.00 0.30 H new ATOM 0 HB2 ASP A 30 2.293 8.482 3.510 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.180 9.832 3.602 1.00 0.50 H new ATOM 484 N LEU A 31 0.533 5.545 3.892 1.00 0.18 N ATOM 485 CA LEU A 31 0.611 4.215 4.452 1.00 0.15 C ATOM 486 C LEU A 31 2.022 3.733 4.244 1.00 0.14 C ATOM 487 O LEU A 31 2.719 4.263 3.401 1.00 0.18 O ATOM 488 CB LEU A 31 -0.414 3.297 3.772 1.00 0.15 C ATOM 489 CG LEU A 31 -1.321 2.499 4.712 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.576 1.308 5.294 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.818 3.387 5.836 1.00 0.16 C ATOM 0 H LEU A 31 0.558 5.568 2.873 1.00 0.18 H new ATOM 0 HA LEU A 31 0.374 4.213 5.516 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.042 3.905 3.121 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.122 2.595 3.133 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.172 2.134 4.137 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.238 0.754 5.959 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.245 0.656 4.486 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.290 1.659 5.855 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.462 2.809 6.499 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.968 3.770 6.400 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.382 4.221 5.418 1.00 0.16 H new ATOM 503 N LEU A 32 2.492 2.822 5.045 1.00 0.15 N ATOM 504 CA LEU A 32 3.860 2.388 4.899 1.00 0.16 C ATOM 505 C LEU A 32 3.912 0.940 4.430 1.00 0.14 C ATOM 506 O LEU A 32 3.109 0.111 4.857 1.00 0.14 O ATOM 507 CB LEU A 32 4.620 2.645 6.206 1.00 0.19 C ATOM 508 CG LEU A 32 5.708 1.642 6.587 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.781 2.345 7.392 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.125 0.493 7.402 1.00 0.73 C ATOM 0 H LEU A 32 1.966 2.370 5.793 1.00 0.15 H new ATOM 0 HA LEU A 32 4.362 2.967 4.124 1.00 0.16 H new ATOM 0 HB2 LEU A 32 5.077 3.632 6.143 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.894 2.681 7.018 1.00 0.19 H new ATOM 0 HG LEU A 32 6.139 1.232 5.674 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.558 1.631 7.665 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.218 3.146 6.795 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.341 2.765 8.296 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.918 -0.208 7.662 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.675 0.885 8.314 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.365 -0.021 6.814 1.00 0.73 H new ATOM 522 N VAL A 33 4.871 0.659 3.547 1.00 0.14 N ATOM 523 CA VAL A 33 5.005 -0.656 2.923 1.00 0.14 C ATOM 524 C VAL A 33 5.339 -1.698 3.978 1.00 0.14 C ATOM 525 O VAL A 33 6.018 -1.403 4.958 1.00 0.15 O ATOM 526 CB VAL A 33 6.093 -0.650 1.798 1.00 0.17 C ATOM 527 CG1 VAL A 33 6.952 -1.910 1.822 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.430 -0.504 0.441 1.00 1.15 C ATOM 0 H VAL A 33 5.574 1.334 3.246 1.00 0.14 H new ATOM 0 HA VAL A 33 4.052 -0.908 2.458 1.00 0.14 H new ATOM 0 HB VAL A 33 6.751 0.199 1.983 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.693 -1.861 1.024 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.460 -1.986 2.784 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.319 -2.785 1.676 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.192 -0.500 -0.338 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.748 -1.338 0.278 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.873 0.432 0.407 1.00 1.15 H new ATOM 538 N THR A 34 4.875 -2.920 3.765 1.00 0.14 N ATOM 539 CA THR A 34 4.853 -3.906 4.820 1.00 0.17 C ATOM 540 C THR A 34 6.207 -4.575 4.977 1.00 0.17 C ATOM 541 O THR A 34 6.716 -5.240 4.071 1.00 0.18 O ATOM 542 CB THR A 34 3.771 -4.967 4.548 1.00 0.19 C ATOM 543 OG1 THR A 34 2.531 -4.318 4.231 1.00 0.21 O ATOM 544 CG2 THR A 34 3.576 -5.873 5.757 1.00 0.23 C ATOM 0 H THR A 34 4.510 -3.247 2.870 1.00 0.14 H new ATOM 0 HA THR A 34 4.617 -3.389 5.750 1.00 0.17 H new ATOM 0 HB THR A 34 4.096 -5.580 3.707 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.644 -3.773 3.424 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.806 -6.613 5.537 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.513 -6.381 5.986 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.269 -5.274 6.615 1.00 0.23 H new ATOM 552 N PRO A 35 6.807 -4.364 6.157 1.00 0.18 N ATOM 553 CA PRO A 35 8.125 -4.875 6.497 1.00 0.20 C ATOM 554 C PRO A 35 8.119 -6.382 6.698 1.00 0.23 C ATOM 555 O PRO A 35 7.060 -6.984 6.899 1.00 0.35 O ATOM 556 CB PRO A 35 8.467 -4.143 7.794 1.00 0.27 C ATOM 557 CG PRO A 35 7.149 -3.876 8.423 1.00 0.32 C ATOM 558 CD PRO A 35 6.212 -3.601 7.280 1.00 0.22 C ATOM 0 HA PRO A 35 8.853 -4.704 5.704 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.100 -4.752 8.440 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.009 -3.218 7.598 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.813 -4.731 9.010 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.202 -3.025 9.101 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.199 -3.936 7.501 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.153 -2.536 7.056 1.00 0.22 H new ATOM 566 N GLN A 36 9.315 -6.961 6.612 1.00 0.26 N ATOM 567 CA GLN A 36 9.544 -8.406 6.689 1.00 0.29 C ATOM 568 C GLN A 36 9.391 -9.038 5.309 1.00 0.30 C ATOM 569 O GLN A 36 8.681 -10.026 5.132 1.00 0.73 O ATOM 570 CB GLN A 36 8.632 -9.108 7.706 1.00 0.42 C ATOM 571 CG GLN A 36 8.980 -8.823 9.156 1.00 0.59 C ATOM 572 CD GLN A 36 7.979 -9.433 10.115 1.00 0.98 C ATOM 573 OE1 GLN A 36 6.792 -9.551 9.802 1.00 1.69 O ATOM 574 NE2 GLN A 36 8.448 -9.842 11.281 1.00 1.72 N ATOM 0 H GLN A 36 10.174 -6.427 6.484 1.00 0.26 H new ATOM 0 HA GLN A 36 10.566 -8.544 7.043 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.602 -8.802 7.525 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.679 -10.184 7.538 1.00 0.42 H new ATOM 0 HG2 GLN A 36 9.974 -9.215 9.373 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.021 -7.745 9.313 1.00 0.59 H new ATOM 0 HE21 GLN A 36 9.437 -9.726 11.502 1.00 1.72 H new ATOM 0 HE22 GLN A 36 7.821 -10.273 11.960 1.00 1.72 H new ATOM 583 N GLN A 37 10.056 -8.438 4.331 1.00 0.33 N ATOM 584 CA GLN A 37 10.072 -8.963 2.974 1.00 0.26 C ATOM 585 C GLN A 37 11.468 -8.824 2.395 1.00 0.30 C ATOM 586 O GLN A 37 12.318 -9.707 2.518 1.00 0.74 O ATOM 587 CB GLN A 37 9.093 -8.209 2.065 1.00 0.23 C ATOM 588 CG GLN A 37 8.147 -9.126 1.297 1.00 0.26 C ATOM 589 CD GLN A 37 8.880 -10.236 0.564 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.095 -11.322 1.104 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.274 -9.967 -0.670 1.00 1.42 N ATOM 0 H GLN A 37 10.595 -7.581 4.455 1.00 0.33 H new ATOM 0 HA GLN A 37 9.772 -10.010 3.020 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.505 -7.519 2.670 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.659 -7.607 1.354 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.429 -9.565 1.990 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.577 -8.536 0.579 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.076 -9.055 -1.081 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.776 -10.672 -1.210 1.00 1.42 H new ATOM 600 N GLY A 38 11.676 -7.686 1.770 1.00 0.43 N ATOM 601 CA GLY A 38 12.967 -7.305 1.264 1.00 0.34 C ATOM 602 C GLY A 38 13.051 -5.811 1.268 1.00 0.38 C ATOM 603 O GLY A 38 13.764 -5.229 0.461 1.00 0.83 O ATOM 0 H GLY A 38 10.944 -6.996 1.600 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.758 -7.731 1.881 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.108 -7.691 0.254 1.00 0.34 H new ATOM 607 N ASN A 39 12.274 -5.225 2.199 1.00 0.27 N ATOM 608 CA ASN A 39 12.011 -3.777 2.328 1.00 0.22 C ATOM 609 C ASN A 39 11.443 -3.146 1.055 1.00 0.21 C ATOM 610 O ASN A 39 10.453 -2.425 1.107 1.00 0.27 O ATOM 611 CB ASN A 39 13.224 -2.979 2.854 1.00 0.29 C ATOM 612 CG ASN A 39 14.485 -3.044 2.006 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.610 -2.341 1.006 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.448 -3.851 2.430 1.00 1.11 N ATOM 0 H ASN A 39 11.791 -5.770 2.913 1.00 0.27 H new ATOM 0 HA ASN A 39 11.233 -3.710 3.088 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.931 -1.934 2.953 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.464 -3.339 3.854 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.330 -3.903 1.921 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.306 -4.419 3.265 1.00 1.11 H new ATOM 621 N SER A 40 12.034 -3.452 -0.069 1.00 0.24 N ATOM 622 CA SER A 40 11.684 -2.833 -1.326 1.00 0.32 C ATOM 623 C SER A 40 10.577 -3.613 -2.007 1.00 0.32 C ATOM 624 O SER A 40 9.841 -3.075 -2.819 1.00 0.50 O ATOM 625 CB SER A 40 12.919 -2.793 -2.220 1.00 0.40 C ATOM 626 OG SER A 40 12.644 -2.184 -3.470 1.00 1.42 O ATOM 0 H SER A 40 12.780 -4.144 -0.142 1.00 0.24 H new ATOM 0 HA SER A 40 11.328 -1.819 -1.143 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.715 -2.245 -1.716 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.283 -3.807 -2.382 1.00 0.40 H new ATOM 0 HG SER A 40 13.458 -2.175 -4.015 1.00 1.42 H new ATOM 632 N GLU A 41 10.441 -4.872 -1.642 1.00 0.24 N ATOM 633 CA GLU A 41 9.532 -5.765 -2.320 1.00 0.31 C ATOM 634 C GLU A 41 8.505 -6.229 -1.323 1.00 0.26 C ATOM 635 O GLU A 41 8.681 -7.259 -0.702 1.00 0.30 O ATOM 636 CB GLU A 41 10.294 -6.959 -2.892 1.00 0.45 C ATOM 637 CG GLU A 41 11.364 -6.579 -3.903 1.00 1.12 C ATOM 638 CD GLU A 41 12.325 -7.714 -4.168 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.902 -8.726 -4.761 1.00 1.66 O ATOM 640 OE2 GLU A 41 13.513 -7.595 -3.797 1.00 1.83 O ATOM 0 H GLU A 41 10.955 -5.300 -0.872 1.00 0.24 H new ATOM 0 HA GLU A 41 9.045 -5.250 -3.148 1.00 0.31 H new ATOM 0 HB2 GLU A 41 10.760 -7.507 -2.073 1.00 0.45 H new ATOM 0 HB3 GLU A 41 9.584 -7.637 -3.366 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.889 -6.281 -4.838 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.917 -5.714 -3.537 1.00 1.12 H new ATOM 647 N PRO A 42 7.439 -5.452 -1.142 1.00 0.22 N ATOM 648 CA PRO A 42 6.449 -5.678 -0.088 1.00 0.21 C ATOM 649 C PRO A 42 5.750 -7.031 -0.210 1.00 0.20 C ATOM 650 O PRO A 42 5.811 -7.684 -1.245 1.00 0.20 O ATOM 651 CB PRO A 42 5.444 -4.544 -0.287 1.00 0.23 C ATOM 652 CG PRO A 42 6.164 -3.518 -1.084 1.00 0.26 C ATOM 653 CD PRO A 42 7.109 -4.277 -1.960 1.00 0.24 C ATOM 0 HA PRO A 42 6.914 -5.689 0.898 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.554 -4.894 -0.809 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.114 -4.139 0.669 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.469 -2.925 -1.679 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.701 -2.825 -0.437 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.646 -4.560 -2.905 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.995 -3.691 -2.202 1.00 0.24 H new ATOM 661 N VAL A 43 5.103 -7.454 0.863 1.00 0.21 N ATOM 662 CA VAL A 43 4.467 -8.763 0.895 1.00 0.22 C ATOM 663 C VAL A 43 3.158 -8.744 0.116 1.00 0.19 C ATOM 664 O VAL A 43 2.601 -7.679 -0.121 1.00 0.17 O ATOM 665 CB VAL A 43 4.177 -9.235 2.338 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.457 -9.395 3.138 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.236 -8.275 3.043 1.00 0.24 C ATOM 0 H VAL A 43 5.004 -6.913 1.722 1.00 0.21 H new ATOM 0 HA VAL A 43 5.168 -9.460 0.435 1.00 0.22 H new ATOM 0 HB VAL A 43 3.695 -10.210 2.270 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.216 -9.728 4.148 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.098 -10.133 2.656 1.00 0.32 H new ATOM 0 HG13 VAL A 43 5.978 -8.439 3.186 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.047 -8.629 4.057 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.689 -7.285 3.083 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.295 -8.221 2.496 1.00 0.24 H new ATOM 677 N VAL A 44 2.656 -9.919 -0.250 1.00 0.22 N ATOM 678 CA VAL A 44 1.374 -10.032 -0.955 1.00 0.22 C ATOM 679 C VAL A 44 0.277 -9.298 -0.194 1.00 0.20 C ATOM 680 O VAL A 44 -0.659 -8.758 -0.778 1.00 0.25 O ATOM 681 CB VAL A 44 0.959 -11.506 -1.150 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.736 -12.139 -2.295 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.166 -12.297 0.135 1.00 0.36 C ATOM 0 H VAL A 44 3.116 -10.812 -0.072 1.00 0.22 H new ATOM 0 HA VAL A 44 1.506 -9.577 -1.936 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.101 -11.529 -1.402 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.427 -13.178 -2.414 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.535 -11.593 -3.217 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.803 -12.101 -2.076 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.868 -13.333 -0.024 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.218 -12.262 0.419 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.561 -11.863 0.931 1.00 0.36 H new ATOM 693 N GLN A 45 0.427 -9.283 1.117 1.00 0.19 N ATOM 694 CA GLN A 45 -0.520 -8.644 2.014 1.00 0.19 C ATOM 695 C GLN A 45 -0.531 -7.136 1.808 1.00 0.16 C ATOM 696 O GLN A 45 -1.569 -6.504 1.928 1.00 0.19 O ATOM 697 CB GLN A 45 -0.180 -8.954 3.472 1.00 0.25 C ATOM 698 CG GLN A 45 -0.192 -10.436 3.807 1.00 0.62 C ATOM 699 CD GLN A 45 0.158 -10.705 5.256 1.00 0.89 C ATOM 700 OE1 GLN A 45 0.917 -9.958 5.875 1.00 1.66 O ATOM 701 NE2 GLN A 45 -0.392 -11.773 5.807 1.00 1.44 N ATOM 0 H GLN A 45 1.217 -9.718 1.595 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.509 -9.041 1.785 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.806 -8.549 3.699 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.892 -8.440 4.118 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.179 -10.846 3.593 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.516 -10.957 3.163 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -1.015 -12.366 5.259 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -0.193 -12.004 6.780 1.00 1.44 H new ATOM 710 N ASP A 46 0.637 -6.585 1.472 1.00 0.15 N ATOM 711 CA ASP A 46 0.892 -5.143 1.526 1.00 0.14 C ATOM 712 C ASP A 46 -0.086 -4.345 0.688 1.00 0.14 C ATOM 713 O ASP A 46 -0.539 -3.282 1.100 1.00 0.15 O ATOM 714 CB ASP A 46 2.310 -4.861 1.029 1.00 0.17 C ATOM 715 CG ASP A 46 2.573 -3.387 0.818 1.00 0.14 C ATOM 716 OD1 ASP A 46 2.317 -2.900 -0.298 1.00 0.17 O ATOM 717 OD2 ASP A 46 3.021 -2.716 1.777 1.00 0.16 O ATOM 0 H ASP A 46 1.438 -7.130 1.153 1.00 0.15 H new ATOM 0 HA ASP A 46 0.769 -4.833 2.564 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.028 -5.254 1.749 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.474 -5.393 0.092 1.00 0.17 H new ATOM 722 N LEU A 47 -0.427 -4.864 -0.476 1.00 0.18 N ATOM 723 CA LEU A 47 -1.321 -4.156 -1.375 1.00 0.22 C ATOM 724 C LEU A 47 -2.683 -3.930 -0.705 1.00 0.19 C ATOM 725 O LEU A 47 -3.227 -2.818 -0.724 1.00 0.22 O ATOM 726 CB LEU A 47 -1.424 -4.926 -2.708 1.00 0.28 C ATOM 727 CG LEU A 47 -1.614 -6.449 -2.593 1.00 0.62 C ATOM 728 CD1 LEU A 47 -3.073 -6.818 -2.407 1.00 1.07 C ATOM 729 CD2 LEU A 47 -1.049 -7.153 -3.814 1.00 1.01 C ATOM 0 H LEU A 47 -0.102 -5.767 -0.821 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.922 -3.167 -1.601 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -2.259 -4.517 -3.277 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.520 -4.735 -3.286 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.069 -6.779 -1.709 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.167 -7.901 -2.330 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.452 -6.355 -1.496 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.650 -6.464 -3.261 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.193 -8.229 -3.713 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.563 -6.800 -4.708 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.016 -6.936 -3.899 1.00 1.01 H new ATOM 741 N ALA A 48 -3.191 -4.969 -0.059 1.00 0.18 N ATOM 742 CA ALA A 48 -4.416 -4.872 0.717 1.00 0.17 C ATOM 743 C ALA A 48 -4.179 -4.042 1.962 1.00 0.14 C ATOM 744 O ALA A 48 -5.009 -3.225 2.347 1.00 0.16 O ATOM 745 CB ALA A 48 -4.914 -6.255 1.100 1.00 0.19 C ATOM 0 H ALA A 48 -2.768 -5.897 -0.058 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.176 -4.386 0.106 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.832 -6.163 1.681 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.112 -6.833 0.198 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.156 -6.762 1.697 1.00 0.19 H new ATOM 751 N GLN A 49 -3.007 -4.242 2.547 1.00 0.13 N ATOM 752 CA GLN A 49 -2.653 -3.666 3.832 1.00 0.13 C ATOM 753 C GLN A 49 -2.672 -2.164 3.778 1.00 0.12 C ATOM 754 O GLN A 49 -3.230 -1.506 4.642 1.00 0.13 O ATOM 755 CB GLN A 49 -1.239 -4.099 4.221 1.00 0.15 C ATOM 756 CG GLN A 49 -0.685 -3.393 5.447 1.00 0.20 C ATOM 757 CD GLN A 49 -1.151 -3.998 6.753 1.00 0.33 C ATOM 758 OE1 GLN A 49 -2.246 -4.552 6.841 1.00 0.94 O ATOM 759 NE2 GLN A 49 -0.325 -3.891 7.779 1.00 1.35 N ATOM 0 H GLN A 49 -2.269 -4.815 2.137 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.384 -4.015 4.561 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.238 -5.174 4.403 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.571 -3.918 3.379 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.404 -3.420 5.411 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.979 -2.344 5.416 1.00 0.20 H new ATOM 0 HE21 GLN A 49 0.574 -3.424 7.663 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -0.587 -4.276 8.687 1.00 1.35 H new ATOM 768 N LEU A 50 -2.046 -1.643 2.755 1.00 0.12 N ATOM 769 CA LEU A 50 -1.906 -0.211 2.602 1.00 0.12 C ATOM 770 C LEU A 50 -3.274 0.471 2.524 1.00 0.12 C ATOM 771 O LEU A 50 -3.587 1.375 3.306 1.00 0.13 O ATOM 772 CB LEU A 50 -1.099 0.066 1.345 1.00 0.12 C ATOM 773 CG LEU A 50 0.350 -0.441 1.360 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.027 -0.135 0.036 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.108 0.178 2.514 1.00 0.13 C ATOM 0 H LEU A 50 -1.620 -2.191 2.007 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.389 0.196 3.471 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.614 -0.386 0.497 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.086 1.142 1.173 1.00 0.12 H new ATOM 0 HG LEU A 50 0.347 -1.522 1.497 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.054 -0.500 0.060 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.486 -0.627 -0.772 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.028 0.942 -0.132 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.134 -0.189 2.514 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.111 1.263 2.407 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.626 -0.093 3.453 1.00 0.13 H new ATOM 787 N VAL A 51 -4.108 -0.011 1.623 1.00 0.11 N ATOM 788 CA VAL A 51 -5.452 0.519 1.459 1.00 0.10 C ATOM 789 C VAL A 51 -6.301 0.257 2.712 1.00 0.10 C ATOM 790 O VAL A 51 -7.111 1.096 3.109 1.00 0.10 O ATOM 791 CB VAL A 51 -6.069 -0.098 0.209 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.382 -0.796 0.491 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.239 0.970 -0.848 1.00 0.18 C ATOM 0 H VAL A 51 -3.878 -0.775 0.988 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.414 1.601 1.334 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.388 -0.867 -0.155 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.776 -1.217 -0.434 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.221 -1.596 1.214 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.096 -0.079 0.897 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.680 0.530 -1.742 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.893 1.756 -0.470 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.266 1.396 -1.095 1.00 0.18 H new ATOM 803 N GLU A 52 -6.062 -0.889 3.349 1.00 0.11 N ATOM 804 CA GLU A 52 -6.797 -1.283 4.547 1.00 0.12 C ATOM 805 C GLU A 52 -6.396 -0.427 5.741 1.00 0.13 C ATOM 806 O GLU A 52 -7.249 0.124 6.436 1.00 0.16 O ATOM 807 CB GLU A 52 -6.531 -2.765 4.859 1.00 0.17 C ATOM 808 CG GLU A 52 -7.097 -3.235 6.189 1.00 0.50 C ATOM 809 CD GLU A 52 -6.809 -4.695 6.470 1.00 0.53 C ATOM 810 OE1 GLU A 52 -7.585 -5.557 6.002 1.00 0.74 O ATOM 811 OE2 GLU A 52 -5.802 -4.995 7.145 1.00 0.74 O ATOM 0 H GLU A 52 -5.359 -1.565 3.051 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.860 -1.134 4.359 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.956 -3.374 4.061 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.455 -2.938 4.854 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.679 -2.627 6.991 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -8.175 -3.075 6.196 1.00 0.50 H new ATOM 818 N GLU A 53 -5.095 -0.284 5.949 1.00 0.13 N ATOM 819 CA GLU A 53 -4.573 0.355 7.146 1.00 0.15 C ATOM 820 C GLU A 53 -4.758 1.862 7.088 1.00 0.16 C ATOM 821 O GLU A 53 -4.798 2.527 8.121 1.00 0.19 O ATOM 822 CB GLU A 53 -3.100 -0.016 7.352 1.00 0.19 C ATOM 823 CG GLU A 53 -2.454 0.649 8.556 1.00 0.24 C ATOM 824 CD GLU A 53 -1.236 -0.102 9.052 1.00 0.84 C ATOM 825 OE1 GLU A 53 -0.142 0.091 8.474 1.00 1.51 O ATOM 826 OE2 GLU A 53 -1.361 -0.886 10.012 1.00 1.32 O ATOM 0 H GLU A 53 -4.378 -0.605 5.298 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.139 -0.011 8.003 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.021 -1.098 7.462 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.540 0.255 6.457 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.167 1.667 8.293 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.184 0.722 9.362 1.00 0.24 H new ATOM 833 N ALA A 54 -4.889 2.398 5.878 1.00 0.16 N ATOM 834 CA ALA A 54 -5.095 3.831 5.712 1.00 0.18 C ATOM 835 C ALA A 54 -6.340 4.302 6.452 1.00 0.21 C ATOM 836 O ALA A 54 -6.363 5.398 7.010 1.00 0.30 O ATOM 837 CB ALA A 54 -5.200 4.180 4.241 1.00 0.24 C ATOM 0 H ALA A 54 -4.857 1.868 5.007 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.234 4.344 6.140 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.354 5.254 4.132 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.280 3.892 3.732 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.042 3.646 3.800 1.00 0.24 H new ATOM 843 N THR A 55 -7.375 3.480 6.454 1.00 0.25 N ATOM 844 CA THR A 55 -8.596 3.825 7.161 1.00 0.33 C ATOM 845 C THR A 55 -8.856 2.901 8.348 1.00 0.29 C ATOM 846 O THR A 55 -9.548 3.273 9.296 1.00 0.39 O ATOM 847 CB THR A 55 -9.796 3.789 6.211 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.345 3.520 4.874 1.00 1.14 O ATOM 849 CG2 THR A 55 -10.538 5.114 6.248 1.00 1.66 C ATOM 0 H THR A 55 -7.395 2.578 5.979 1.00 0.25 H new ATOM 0 HA THR A 55 -8.464 4.836 7.546 1.00 0.33 H new ATOM 0 HB THR A 55 -10.476 2.999 6.530 1.00 0.51 H new ATOM 0 HG1 THR A 55 -8.859 4.298 4.530 1.00 1.14 H new ATOM 0 HG21 THR A 55 -11.389 5.074 5.568 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.892 5.304 7.261 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.866 5.916 5.942 1.00 1.66 H new ATOM 857 N GLY A 56 -8.291 1.703 8.299 1.00 0.25 N ATOM 858 CA GLY A 56 -8.541 0.718 9.333 1.00 0.26 C ATOM 859 C GLY A 56 -9.739 -0.144 8.997 1.00 0.29 C ATOM 860 O GLY A 56 -10.305 -0.811 9.864 1.00 0.34 O ATOM 0 H GLY A 56 -7.661 1.394 7.558 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.661 0.087 9.457 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.709 1.222 10.285 1.00 0.26 H new ATOM 864 N VAL A 57 -10.112 -0.140 7.726 1.00 0.30 N ATOM 865 CA VAL A 57 -11.301 -0.839 7.264 1.00 0.36 C ATOM 866 C VAL A 57 -10.955 -2.190 6.657 1.00 0.29 C ATOM 867 O VAL A 57 -9.880 -2.379 6.102 1.00 0.26 O ATOM 868 CB VAL A 57 -12.097 0.000 6.247 1.00 0.50 C ATOM 869 CG1 VAL A 57 -12.885 1.075 6.965 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.178 0.621 5.208 1.00 1.33 C ATOM 0 H VAL A 57 -9.601 0.346 6.989 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.926 -1.001 8.142 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.790 -0.662 5.727 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.445 1.663 6.238 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -13.578 0.611 7.667 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -12.200 1.726 7.508 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -11.768 1.207 4.504 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -10.455 1.269 5.703 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.651 -0.167 4.671 1.00 1.33 H new ATOM 880 N PRO A 58 -11.881 -3.143 6.783 1.00 0.32 N ATOM 881 CA PRO A 58 -11.703 -4.535 6.338 1.00 0.34 C ATOM 882 C PRO A 58 -11.682 -4.707 4.823 1.00 0.31 C ATOM 883 O PRO A 58 -12.217 -3.875 4.087 1.00 0.27 O ATOM 884 CB PRO A 58 -12.933 -5.232 6.904 1.00 0.39 C ATOM 885 CG PRO A 58 -13.954 -4.155 6.909 1.00 0.39 C ATOM 886 CD PRO A 58 -13.216 -2.940 7.371 1.00 0.37 C ATOM 0 HA PRO A 58 -10.743 -4.928 6.673 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.239 -6.076 6.285 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.751 -5.621 7.906 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.379 -4.007 5.916 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.781 -4.395 7.578 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.682 -2.021 7.015 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.176 -2.877 8.458 1.00 0.37 H new ATOM 894 N LEU A 59 -11.085 -5.807 4.373 1.00 0.35 N ATOM 895 CA LEU A 59 -10.987 -6.142 2.949 1.00 0.36 C ATOM 896 C LEU A 59 -12.315 -5.953 2.176 1.00 0.36 C ATOM 897 O LEU A 59 -12.296 -5.373 1.093 1.00 0.37 O ATOM 898 CB LEU A 59 -10.458 -7.588 2.815 1.00 0.45 C ATOM 899 CG LEU A 59 -10.601 -8.267 1.444 1.00 1.21 C ATOM 900 CD1 LEU A 59 -9.473 -9.268 1.238 1.00 1.79 C ATOM 901 CD2 LEU A 59 -11.942 -8.980 1.321 1.00 2.08 C ATOM 0 H LEU A 59 -10.652 -6.497 4.987 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.290 -5.442 2.488 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -9.401 -7.587 3.082 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.972 -8.205 3.552 1.00 0.45 H new ATOM 0 HG LEU A 59 -10.549 -7.493 0.678 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -9.583 -9.744 0.264 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.515 -8.751 1.283 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.513 -10.027 2.019 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -12.015 -9.451 0.341 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -12.022 -9.742 2.097 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -12.750 -8.258 1.438 1.00 2.08 H new ATOM 913 N PRO A 60 -13.490 -6.392 2.698 1.00 0.38 N ATOM 914 CA PRO A 60 -14.754 -6.288 1.949 1.00 0.41 C ATOM 915 C PRO A 60 -15.224 -4.844 1.753 1.00 0.38 C ATOM 916 O PRO A 60 -16.068 -4.572 0.899 1.00 0.46 O ATOM 917 CB PRO A 60 -15.761 -7.052 2.812 1.00 0.47 C ATOM 918 CG PRO A 60 -14.939 -7.837 3.768 1.00 0.52 C ATOM 919 CD PRO A 60 -13.714 -7.016 4.012 1.00 0.42 C ATOM 0 HA PRO A 60 -14.640 -6.686 0.941 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.429 -6.368 3.336 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.387 -7.704 2.203 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.482 -8.017 4.696 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.682 -8.812 3.355 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.871 -6.273 4.794 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.868 -7.630 4.321 1.00 0.42 H new ATOM 927 N PHE A 61 -14.679 -3.925 2.541 1.00 0.33 N ATOM 928 CA PHE A 61 -15.115 -2.534 2.502 1.00 0.34 C ATOM 929 C PHE A 61 -14.330 -1.718 1.494 1.00 0.28 C ATOM 930 O PHE A 61 -14.801 -0.680 1.033 1.00 0.31 O ATOM 931 CB PHE A 61 -14.979 -1.904 3.884 1.00 0.37 C ATOM 932 CG PHE A 61 -16.209 -2.063 4.733 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.610 -3.316 5.164 1.00 0.45 C ATOM 934 CD2 PHE A 61 -16.958 -0.959 5.110 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.735 -3.466 5.950 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.085 -1.104 5.894 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.489 -2.355 6.295 1.00 0.68 C ATOM 0 H PHE A 61 -13.936 -4.117 3.213 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.160 -2.531 2.193 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.130 -2.354 4.399 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.758 -0.843 3.772 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -16.036 -4.186 4.882 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -16.656 0.026 4.786 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -18.027 -4.447 6.295 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -18.650 -0.233 6.193 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.391 -2.472 6.877 1.00 0.68 H new ATOM 947 N GLN A 62 -13.162 -2.194 1.113 1.00 0.22 N ATOM 948 CA GLN A 62 -12.348 -1.458 0.170 1.00 0.19 C ATOM 949 C GLN A 62 -12.038 -2.311 -1.057 1.00 0.19 C ATOM 950 O GLN A 62 -11.744 -3.501 -0.940 1.00 0.33 O ATOM 951 CB GLN A 62 -11.032 -0.997 0.799 1.00 0.19 C ATOM 952 CG GLN A 62 -10.174 -2.129 1.319 1.00 0.25 C ATOM 953 CD GLN A 62 -9.696 -1.902 2.730 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.512 -0.767 3.158 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.475 -2.983 3.454 1.00 0.29 N ATOM 0 H GLN A 62 -12.760 -3.074 1.436 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.922 -0.580 -0.127 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.464 -0.434 0.059 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.252 -0.314 1.619 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.743 -3.058 1.279 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.312 -2.255 0.664 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.642 -3.907 3.055 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.137 -2.895 4.412 1.00 0.29 H new ATOM 964 N LYS A 63 -12.114 -1.717 -2.236 1.00 0.19 N ATOM 965 CA LYS A 63 -11.618 -2.377 -3.430 1.00 0.18 C ATOM 966 C LYS A 63 -10.323 -1.713 -3.860 1.00 0.13 C ATOM 967 O LYS A 63 -10.331 -0.736 -4.610 1.00 0.14 O ATOM 968 CB LYS A 63 -12.641 -2.343 -4.570 1.00 0.26 C ATOM 969 CG LYS A 63 -13.997 -2.928 -4.196 1.00 1.14 C ATOM 970 CD LYS A 63 -14.934 -3.011 -5.396 1.00 1.68 C ATOM 971 CE LYS A 63 -15.160 -1.651 -6.032 1.00 2.52 C ATOM 972 NZ LYS A 63 -16.179 -1.702 -7.110 1.00 3.15 N ATOM 0 H LYS A 63 -12.510 -0.790 -2.391 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.439 -3.426 -3.195 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.777 -1.311 -4.893 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.241 -2.893 -5.422 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -13.858 -3.924 -3.775 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.455 -2.314 -3.420 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -14.516 -3.693 -6.136 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -15.891 -3.428 -5.082 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -15.477 -0.942 -5.267 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -14.219 -1.281 -6.440 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -16.302 -0.753 -7.517 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -15.866 -2.359 -7.853 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -17.084 -2.030 -6.717 1.00 3.15 H new ATOM 986 N LEU A 64 -9.211 -2.245 -3.370 1.00 0.12 N ATOM 987 CA LEU A 64 -7.907 -1.669 -3.624 1.00 0.10 C ATOM 988 C LEU A 64 -7.440 -2.057 -5.001 1.00 0.12 C ATOM 989 O LEU A 64 -7.324 -3.245 -5.325 1.00 0.14 O ATOM 990 CB LEU A 64 -6.906 -2.124 -2.544 1.00 0.11 C ATOM 991 CG LEU A 64 -5.398 -1.886 -2.799 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.771 -3.022 -3.592 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.159 -0.573 -3.512 1.00 0.51 C ATOM 0 H LEU A 64 -9.192 -3.083 -2.789 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.975 -0.582 -3.580 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.170 -1.622 -1.613 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.052 -3.192 -2.383 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.920 -1.847 -1.820 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.712 -2.815 -3.749 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.880 -3.955 -3.039 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.270 -3.111 -4.557 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.090 -0.437 -3.675 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.675 -0.581 -4.472 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.540 0.247 -2.903 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.215 -1.028 -5.796 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.654 -1.152 -7.115 1.00 0.14 C ATOM 1007 C ILE A 65 -5.443 -0.237 -7.219 1.00 0.15 C ATOM 1008 O ILE A 65 -5.572 0.987 -7.148 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.703 -0.689 -8.127 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.970 -1.547 -7.998 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.152 -0.718 -9.550 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -8.836 -2.941 -8.577 1.00 1.20 C ATOM 0 H ILE A 65 -7.424 -0.065 -5.531 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.362 -2.184 -7.310 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.964 0.346 -7.908 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -9.236 -1.627 -6.944 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.794 -1.036 -8.496 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.922 -0.383 -10.245 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.288 -0.057 -9.619 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.852 -1.735 -9.803 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -9.774 -3.481 -8.445 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -8.602 -2.873 -9.639 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -8.035 -3.473 -8.063 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.268 -0.825 -7.261 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.051 -0.097 -7.554 1.00 0.18 C ATOM 1026 C PHE A 66 -1.907 -1.045 -7.821 1.00 0.20 C ATOM 1027 O PHE A 66 -1.941 -2.177 -7.353 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.698 0.967 -6.545 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.607 2.322 -7.208 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.714 2.537 -8.250 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.422 3.369 -6.812 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.640 3.766 -8.878 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.350 4.601 -7.432 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.459 4.800 -8.467 1.00 0.36 C ATOM 0 H PHE A 66 -4.128 -1.821 -7.093 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.250 0.463 -8.468 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.451 0.992 -5.757 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.747 0.724 -6.070 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.069 1.733 -8.574 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.125 3.220 -6.006 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -0.943 3.918 -9.689 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.990 5.408 -7.107 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.402 5.762 -8.955 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.956 -0.620 -8.646 1.00 0.22 N ATOM 1045 CA LYS A 67 0.258 -1.399 -8.961 1.00 0.25 C ATOM 1046 C LYS A 67 -0.103 -2.663 -9.715 1.00 0.28 C ATOM 1047 O LYS A 67 0.590 -3.677 -9.615 1.00 0.32 O ATOM 1048 CB LYS A 67 1.130 -1.777 -7.708 1.00 0.25 C ATOM 1049 CG LYS A 67 0.516 -1.589 -6.310 1.00 0.18 C ATOM 1050 CD LYS A 67 1.418 -2.203 -5.240 1.00 0.21 C ATOM 1051 CE LYS A 67 0.804 -2.159 -3.845 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.843 -1.990 -2.783 1.00 0.19 N ATOM 0 H LYS A 67 -0.997 0.280 -9.124 1.00 0.22 H new ATOM 0 HA LYS A 67 0.868 -0.740 -9.579 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.418 -2.824 -7.807 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.047 -1.189 -7.751 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.375 -0.527 -6.109 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.469 -2.054 -6.274 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.632 -3.239 -5.504 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.371 -1.673 -5.228 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.090 -1.337 -3.788 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.247 -3.078 -3.665 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.414 -2.151 -1.849 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.609 -2.676 -2.935 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.229 -1.025 -2.825 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.179 -2.580 -10.495 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.698 -3.740 -11.194 1.00 0.38 C ATOM 1068 C GLY A 68 -2.143 -4.794 -10.226 1.00 0.38 C ATOM 1069 O GLY A 68 -2.360 -5.950 -10.584 1.00 0.47 O ATOM 0 H GLY A 68 -1.704 -1.720 -10.655 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.536 -3.444 -11.826 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.930 -4.146 -11.852 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.272 -4.373 -8.988 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.632 -5.251 -7.913 1.00 0.33 C ATOM 1075 C LYS A 69 -3.945 -4.831 -7.309 1.00 0.24 C ATOM 1076 O LYS A 69 -4.271 -3.646 -7.229 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.538 -5.246 -6.856 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.217 -5.734 -7.396 1.00 0.62 C ATOM 1079 CD LYS A 69 0.856 -5.748 -6.333 1.00 0.58 C ATOM 1080 CE LYS A 69 1.786 -6.921 -6.542 1.00 0.44 C ATOM 1081 NZ LYS A 69 2.276 -6.994 -7.940 1.00 1.21 N ATOM 0 H LYS A 69 -2.128 -3.404 -8.703 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.743 -6.262 -8.305 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.417 -4.235 -6.466 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.841 -5.876 -6.020 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.339 -6.738 -7.801 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.097 -5.094 -8.220 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.421 -4.817 -6.365 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.398 -5.809 -5.346 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.635 -6.837 -5.863 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.267 -7.846 -6.290 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.870 -7.840 -8.056 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.466 -7.048 -8.590 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.837 -6.145 -8.156 1.00 1.21 H new ATOM 1095 N SER A 70 -4.705 -5.813 -6.929 1.00 0.23 N ATOM 1096 CA SER A 70 -5.944 -5.589 -6.243 1.00 0.21 C ATOM 1097 C SER A 70 -5.866 -6.256 -4.878 1.00 0.23 C ATOM 1098 O SER A 70 -5.184 -7.263 -4.725 1.00 0.31 O ATOM 1099 CB SER A 70 -7.098 -6.125 -7.089 1.00 0.24 C ATOM 1100 OG SER A 70 -6.911 -7.498 -7.402 1.00 1.27 O ATOM 0 H SER A 70 -4.484 -6.796 -7.086 1.00 0.23 H new ATOM 0 HA SER A 70 -6.124 -4.525 -6.091 1.00 0.21 H new ATOM 0 HB2 SER A 70 -8.037 -5.997 -6.551 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.177 -5.547 -8.010 1.00 0.24 H new ATOM 0 HG SER A 70 -7.664 -7.816 -7.942 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.537 -5.692 -3.887 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.332 -6.144 -2.505 1.00 0.21 C ATOM 1108 C LEU A 71 -6.843 -7.558 -2.260 1.00 0.26 C ATOM 1109 O LEU A 71 -7.872 -7.980 -2.796 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.920 -5.148 -1.478 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.455 -5.072 -1.310 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.201 -5.229 -2.625 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -8.936 -6.084 -0.291 1.00 1.21 C ATOM 0 H LEU A 71 -7.214 -4.938 -4.000 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.252 -6.174 -2.358 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.493 -5.387 -0.504 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.567 -4.152 -1.745 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.680 -4.071 -0.943 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.274 -5.167 -2.444 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.902 -4.436 -3.310 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.963 -6.197 -3.065 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.019 -6.012 -0.190 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.668 -7.088 -0.621 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.467 -5.882 0.672 1.00 1.21 H new ATOM 1125 N LYS A 72 -6.087 -8.278 -1.446 1.00 0.34 N ATOM 1126 CA LYS A 72 -6.405 -9.638 -1.059 1.00 0.46 C ATOM 1127 C LYS A 72 -5.484 -10.033 0.090 1.00 0.66 C ATOM 1128 O LYS A 72 -4.574 -9.278 0.427 1.00 1.33 O ATOM 1129 CB LYS A 72 -6.201 -10.591 -2.240 1.00 0.47 C ATOM 1130 CG LYS A 72 -6.885 -11.944 -2.097 1.00 0.87 C ATOM 1131 CD LYS A 72 -6.350 -12.928 -3.123 1.00 1.37 C ATOM 1132 CE LYS A 72 -7.177 -14.202 -3.181 1.00 2.01 C ATOM 1133 NZ LYS A 72 -8.512 -13.968 -3.788 1.00 2.72 N ATOM 0 H LYS A 72 -5.224 -7.927 -1.031 1.00 0.34 H new ATOM 0 HA LYS A 72 -7.448 -9.700 -0.749 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -6.569 -10.108 -3.145 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -5.132 -10.753 -2.377 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -6.723 -12.335 -1.092 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -7.961 -11.828 -2.224 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -6.342 -12.457 -4.106 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -5.317 -13.178 -2.880 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -6.642 -14.956 -3.759 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -7.301 -14.601 -2.174 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -8.971 -14.881 -3.981 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -9.100 -13.417 -3.131 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -8.401 -13.442 -4.678 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.700 -11.193 0.687 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.831 -11.657 1.761 1.00 0.83 C ATOM 1149 C GLU A 73 -3.454 -12.009 1.198 1.00 0.82 C ATOM 1150 O GLU A 73 -2.432 -11.475 1.633 1.00 1.56 O ATOM 1151 CB GLU A 73 -5.463 -12.858 2.465 1.00 1.03 C ATOM 1152 CG GLU A 73 -4.639 -13.406 3.613 1.00 1.62 C ATOM 1153 CD GLU A 73 -5.352 -14.521 4.345 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -5.535 -15.608 3.758 1.00 2.84 O ATOM 1155 OE2 GLU A 73 -5.738 -14.317 5.514 1.00 1.93 O ATOM 0 H GLU A 73 -6.462 -11.828 0.451 1.00 0.69 H new ATOM 0 HA GLU A 73 -4.707 -10.862 2.496 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -6.445 -12.570 2.841 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.622 -13.651 1.735 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -3.687 -13.775 3.231 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -4.412 -12.601 4.312 1.00 1.62 H new ATOM 1162 N MET A 74 -3.439 -12.899 0.215 1.00 0.58 N ATOM 1163 CA MET A 74 -2.219 -13.231 -0.510 1.00 0.54 C ATOM 1164 C MET A 74 -2.483 -13.123 -2.005 1.00 0.47 C ATOM 1165 O MET A 74 -2.956 -14.070 -2.632 1.00 0.61 O ATOM 1166 CB MET A 74 -1.728 -14.640 -0.158 1.00 0.62 C ATOM 1167 CG MET A 74 -1.333 -14.806 1.303 1.00 1.44 C ATOM 1168 SD MET A 74 -0.623 -16.429 1.650 1.00 1.93 S ATOM 1169 CE MET A 74 0.852 -16.378 0.634 1.00 2.96 C ATOM 0 H MET A 74 -4.265 -13.408 -0.101 1.00 0.58 H new ATOM 0 HA MET A 74 -1.437 -12.528 -0.221 1.00 0.54 H new ATOM 0 HB2 MET A 74 -2.513 -15.358 -0.396 1.00 0.62 H new ATOM 0 HB3 MET A 74 -0.871 -14.884 -0.786 1.00 0.62 H new ATOM 0 HG2 MET A 74 -0.612 -14.033 1.571 1.00 1.44 H new ATOM 0 HG3 MET A 74 -2.210 -14.655 1.932 1.00 1.44 H new ATOM 0 HE1 MET A 74 1.551 -17.144 0.969 1.00 2.96 H new ATOM 0 HE2 MET A 74 0.584 -16.561 -0.406 1.00 2.96 H new ATOM 0 HE3 MET A 74 1.320 -15.397 0.721 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.199 -11.955 -2.564 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.578 -11.660 -3.932 1.00 0.33 C ATOM 1181 C GLU A 75 -1.407 -11.802 -4.918 1.00 0.30 C ATOM 1182 O GLU A 75 -1.005 -12.915 -5.257 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.181 -10.255 -3.975 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.775 -9.850 -5.317 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.792 -10.841 -5.844 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -5.966 -10.772 -5.436 1.00 2.49 O ATOM 1187 OE2 GLU A 75 -4.423 -11.688 -6.681 1.00 2.03 O ATOM 0 H GLU A 75 -1.707 -11.198 -2.088 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.318 -12.393 -4.254 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.959 -10.187 -3.215 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.408 -9.536 -3.705 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.248 -8.873 -5.218 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.971 -9.743 -6.045 1.00 0.92 H new ATOM 1194 N THR A 76 -0.854 -10.677 -5.354 1.00 0.27 N ATOM 1195 CA THR A 76 0.059 -10.660 -6.499 1.00 0.26 C ATOM 1196 C THR A 76 1.542 -10.473 -6.128 1.00 0.17 C ATOM 1197 O THR A 76 1.857 -9.925 -5.077 1.00 0.18 O ATOM 1198 CB THR A 76 -0.385 -9.585 -7.501 1.00 0.40 C ATOM 1199 OG1 THR A 76 -1.050 -8.526 -6.810 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.321 -10.172 -8.540 1.00 0.69 C ATOM 0 H THR A 76 -1.019 -9.762 -4.934 1.00 0.27 H new ATOM 0 HA THR A 76 -0.002 -11.650 -6.951 1.00 0.26 H new ATOM 0 HB THR A 76 0.501 -9.199 -8.005 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.896 -8.321 -7.261 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.623 -9.393 -9.240 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.810 -10.968 -9.082 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.204 -10.578 -8.046 1.00 0.69 H new ATOM 1208 N PRO A 77 2.456 -10.977 -7.004 1.00 0.19 N ATOM 1209 CA PRO A 77 3.925 -10.950 -6.845 1.00 0.18 C ATOM 1210 C PRO A 77 4.490 -9.817 -5.975 1.00 0.14 C ATOM 1211 O PRO A 77 4.263 -8.631 -6.231 1.00 0.16 O ATOM 1212 CB PRO A 77 4.384 -10.784 -8.287 1.00 0.30 C ATOM 1213 CG PRO A 77 3.380 -11.544 -9.096 1.00 0.36 C ATOM 1214 CD PRO A 77 2.110 -11.635 -8.276 1.00 0.28 C ATOM 0 HA PRO A 77 4.274 -11.840 -6.320 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.411 -9.733 -8.575 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.389 -11.180 -8.430 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.190 -11.039 -10.043 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.754 -12.539 -9.335 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.279 -11.133 -8.771 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.809 -12.671 -8.120 1.00 0.28 H new ATOM 1222 N LEU A 78 5.259 -10.226 -4.971 1.00 0.14 N ATOM 1223 CA LEU A 78 5.822 -9.341 -3.950 1.00 0.15 C ATOM 1224 C LEU A 78 6.850 -8.349 -4.495 1.00 0.16 C ATOM 1225 O LEU A 78 6.911 -7.209 -4.056 1.00 0.16 O ATOM 1226 CB LEU A 78 6.433 -10.179 -2.828 1.00 0.19 C ATOM 1227 CG LEU A 78 5.430 -11.041 -2.077 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.130 -12.330 -2.834 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.922 -11.353 -0.676 1.00 0.24 C ATOM 0 H LEU A 78 5.516 -11.204 -4.839 1.00 0.14 H new ATOM 0 HA LEU A 78 4.999 -8.737 -3.567 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.205 -10.823 -3.250 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.926 -9.513 -2.119 1.00 0.19 H new ATOM 0 HG LEU A 78 4.504 -10.471 -1.998 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.410 -12.924 -2.271 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.715 -12.089 -3.813 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.050 -12.900 -2.961 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.186 -11.970 -0.161 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.869 -11.890 -0.734 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.065 -10.423 -0.125 1.00 0.24 H new ATOM 1241 N SER A 79 7.681 -8.780 -5.421 1.00 0.18 N ATOM 1242 CA SER A 79 8.633 -7.869 -6.051 1.00 0.22 C ATOM 1243 C SER A 79 7.892 -6.721 -6.733 1.00 0.22 C ATOM 1244 O SER A 79 8.299 -5.561 -6.677 1.00 0.24 O ATOM 1245 CB SER A 79 9.496 -8.624 -7.060 1.00 0.27 C ATOM 1246 OG SER A 79 8.697 -9.446 -7.901 1.00 1.17 O ATOM 0 H SER A 79 7.723 -9.743 -5.756 1.00 0.18 H new ATOM 0 HA SER A 79 9.284 -7.452 -5.282 1.00 0.22 H new ATOM 0 HB2 SER A 79 10.057 -7.914 -7.667 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.225 -9.238 -6.532 1.00 0.27 H new ATOM 0 HG SER A 79 9.272 -9.918 -8.539 1.00 1.17 H new ATOM 1252 N ALA A 80 6.779 -7.072 -7.349 1.00 0.20 N ATOM 1253 CA ALA A 80 5.919 -6.125 -8.033 1.00 0.22 C ATOM 1254 C ALA A 80 5.026 -5.368 -7.044 1.00 0.18 C ATOM 1255 O ALA A 80 4.197 -4.550 -7.448 1.00 0.19 O ATOM 1256 CB ALA A 80 5.091 -6.844 -9.083 1.00 0.27 C ATOM 0 H ALA A 80 6.443 -8.034 -7.389 1.00 0.20 H new ATOM 0 HA ALA A 80 6.545 -5.385 -8.531 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.448 -6.127 -9.593 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.754 -7.316 -9.808 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.477 -7.606 -8.603 1.00 0.27 H new ATOM 1262 N LEU A 81 5.178 -5.672 -5.752 1.00 0.14 N ATOM 1263 CA LEU A 81 4.291 -5.167 -4.700 1.00 0.13 C ATOM 1264 C LEU A 81 4.525 -3.674 -4.404 1.00 0.12 C ATOM 1265 O LEU A 81 4.133 -3.189 -3.351 1.00 0.11 O ATOM 1266 CB LEU A 81 4.465 -5.995 -3.419 1.00 0.13 C ATOM 1267 CG LEU A 81 3.187 -6.389 -2.653 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.211 -5.235 -2.535 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.520 -7.572 -3.320 1.00 0.19 C ATOM 0 H LEU A 81 5.922 -6.277 -5.405 1.00 0.14 H new ATOM 0 HA LEU A 81 3.268 -5.268 -5.063 1.00 0.13 H new ATOM 0 HB2 LEU A 81 4.998 -6.910 -3.678 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.106 -5.434 -2.739 1.00 0.13 H new ATOM 0 HG LEU A 81 3.487 -6.665 -1.642 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.327 -5.561 -1.988 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.685 -4.411 -2.001 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.919 -4.902 -3.531 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.619 -7.840 -2.769 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.255 -7.310 -4.344 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.206 -8.419 -3.328 1.00 0.19 H new ATOM 1281 N GLY A 82 5.137 -2.922 -5.319 1.00 0.12 N ATOM 1282 CA GLY A 82 5.364 -1.519 -5.017 1.00 0.12 C ATOM 1283 C GLY A 82 6.786 -1.159 -4.652 1.00 0.11 C ATOM 1284 O GLY A 82 6.982 -0.354 -3.743 1.00 0.12 O ATOM 0 H GLY A 82 5.468 -3.243 -6.229 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.067 -0.925 -5.882 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.711 -1.231 -4.193 1.00 0.12 H new ATOM 1288 N MET A 83 7.793 -1.754 -5.310 1.00 0.13 N ATOM 1289 CA MET A 83 9.171 -1.365 -5.003 1.00 0.15 C ATOM 1290 C MET A 83 9.461 0.062 -5.482 1.00 0.15 C ATOM 1291 O MET A 83 9.961 0.310 -6.578 1.00 0.19 O ATOM 1292 CB MET A 83 10.166 -2.357 -5.626 1.00 0.20 C ATOM 1293 CG MET A 83 9.938 -2.646 -7.100 1.00 0.49 C ATOM 1294 SD MET A 83 11.126 -3.831 -7.756 1.00 0.97 S ATOM 1295 CE MET A 83 10.521 -4.021 -9.429 1.00 1.79 C ATOM 0 H MET A 83 7.686 -2.473 -6.025 1.00 0.13 H new ATOM 0 HA MET A 83 9.293 -1.388 -3.920 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.175 -1.966 -5.499 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.116 -3.296 -5.074 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.928 -3.032 -7.240 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.006 -1.716 -7.665 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.154 -4.727 -9.967 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.498 -4.396 -9.406 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.542 -3.056 -9.935 1.00 1.79 H new ATOM 1305 N GLN A 84 9.097 0.972 -4.606 1.00 0.14 N ATOM 1306 CA GLN A 84 9.410 2.380 -4.622 1.00 0.15 C ATOM 1307 C GLN A 84 9.020 2.795 -3.235 1.00 0.16 C ATOM 1308 O GLN A 84 8.580 1.916 -2.506 1.00 0.16 O ATOM 1309 CB GLN A 84 8.654 3.157 -5.694 1.00 0.16 C ATOM 1310 CG GLN A 84 7.192 2.779 -5.828 1.00 0.61 C ATOM 1311 CD GLN A 84 6.537 3.430 -7.028 1.00 1.08 C ATOM 1312 OE1 GLN A 84 5.346 3.738 -7.006 1.00 1.79 O ATOM 1313 NE2 GLN A 84 7.301 3.623 -8.093 1.00 1.61 N ATOM 0 H GLN A 84 8.527 0.723 -3.798 1.00 0.14 H new ATOM 0 HA GLN A 84 10.451 2.583 -4.871 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.722 4.222 -5.470 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.146 3.001 -6.654 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.106 1.696 -5.913 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.659 3.071 -4.923 1.00 0.61 H new ATOM 0 HE21 GLN A 84 8.285 3.354 -8.071 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.906 4.041 -8.935 1.00 1.61 H new ATOM 1322 N ASN A 85 9.182 4.033 -2.794 1.00 0.17 N ATOM 1323 CA ASN A 85 8.625 4.326 -1.476 1.00 0.17 C ATOM 1324 C ASN A 85 7.142 4.021 -1.544 1.00 0.16 C ATOM 1325 O ASN A 85 6.408 4.715 -2.203 1.00 0.18 O ATOM 1326 CB ASN A 85 8.843 5.795 -1.029 1.00 0.19 C ATOM 1327 CG ASN A 85 8.077 6.829 -1.834 1.00 0.28 C ATOM 1328 OD1 ASN A 85 7.137 7.430 -1.332 1.00 1.22 O ATOM 1329 ND2 ASN A 85 8.444 7.027 -3.090 1.00 0.99 N ATOM 0 H ASN A 85 9.653 4.797 -3.278 1.00 0.17 H new ATOM 0 HA ASN A 85 9.138 3.713 -0.735 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.557 5.887 0.019 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.907 6.024 -1.090 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.938 7.697 -3.669 1.00 0.99 H new ATOM 0 HD22 ASN A 85 9.233 6.510 -3.479 1.00 0.99 H new ATOM 1336 N GLY A 86 6.749 2.942 -0.884 1.00 0.15 N ATOM 1337 CA GLY A 86 5.359 2.556 -0.711 1.00 0.14 C ATOM 1338 C GLY A 86 4.502 2.383 -1.968 1.00 0.12 C ATOM 1339 O GLY A 86 3.497 1.681 -1.918 1.00 0.13 O ATOM 0 H GLY A 86 7.404 2.296 -0.444 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.339 1.615 -0.161 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.880 3.305 -0.080 1.00 0.14 H new ATOM 1343 N CYS A 87 4.887 3.021 -3.061 1.00 0.11 N ATOM 1344 CA CYS A 87 4.101 3.111 -4.284 1.00 0.12 C ATOM 1345 C CYS A 87 2.698 3.655 -4.023 1.00 0.12 C ATOM 1346 O CYS A 87 2.482 4.442 -3.097 1.00 0.17 O ATOM 1347 CB CYS A 87 4.040 1.776 -5.021 1.00 0.23 C ATOM 1348 SG CYS A 87 2.973 0.523 -4.288 1.00 0.94 S ATOM 0 H CYS A 87 5.782 3.506 -3.125 1.00 0.11 H new ATOM 0 HA CYS A 87 4.615 3.822 -4.931 1.00 0.12 H new ATOM 0 HB2 CYS A 87 3.704 1.961 -6.041 1.00 0.23 H new ATOM 0 HB3 CYS A 87 5.050 1.372 -5.087 1.00 0.23 H new ATOM 0 HG CYS A 87 2.949 0.675 -2.997 1.00 0.94 H new ATOM 1354 N ARG A 88 1.753 3.265 -4.862 1.00 0.12 N ATOM 1355 CA ARG A 88 0.397 3.765 -4.758 1.00 0.13 C ATOM 1356 C ARG A 88 -0.570 2.609 -4.560 1.00 0.12 C ATOM 1357 O ARG A 88 -0.307 1.499 -5.022 1.00 0.15 O ATOM 1358 CB ARG A 88 -0.005 4.537 -6.016 1.00 0.19 C ATOM 1359 CG ARG A 88 0.985 5.596 -6.481 1.00 0.82 C ATOM 1360 CD ARG A 88 2.010 5.034 -7.461 1.00 0.41 C ATOM 1361 NE ARG A 88 2.413 6.035 -8.453 1.00 0.90 N ATOM 1362 CZ ARG A 88 3.440 5.889 -9.294 1.00 1.29 C ATOM 1363 NH1 ARG A 88 4.215 4.817 -9.231 1.00 1.26 N ATOM 1364 NH2 ARG A 88 3.704 6.828 -10.193 1.00 2.07 N ATOM 0 H ARG A 88 1.903 2.603 -5.623 1.00 0.12 H new ATOM 0 HA ARG A 88 0.356 4.438 -3.902 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.154 3.824 -6.826 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.966 5.018 -5.834 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.443 6.415 -6.954 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.502 6.013 -5.616 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.887 4.690 -6.913 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.591 4.166 -7.969 1.00 0.41 H new ATOM 0 HE ARG A 88 1.874 6.899 -8.504 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.030 4.094 -8.536 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.997 4.714 -9.878 1.00 1.26 H new ATOM 0 HH21 ARG A 88 3.122 7.664 -10.243 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.489 6.714 -10.834 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.659 2.879 -3.849 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.762 1.937 -3.647 1.00 0.11 C ATOM 1380 C VAL A 89 -4.054 2.699 -3.404 1.00 0.11 C ATOM 1381 O VAL A 89 -4.201 3.377 -2.384 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.523 0.989 -2.455 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.628 -0.171 -2.841 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -1.937 1.749 -1.282 1.00 0.18 C ATOM 0 H VAL A 89 -1.806 3.776 -3.386 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.828 1.334 -4.552 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.487 0.578 -2.157 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.480 -0.820 -1.977 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -2.095 -0.739 -3.646 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.664 0.210 -3.178 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.775 1.064 -0.449 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -0.987 2.195 -1.576 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.628 2.535 -0.976 1.00 0.18 H new ATOM 1394 N MET A 90 -4.991 2.637 -4.325 1.00 0.11 N ATOM 1395 CA MET A 90 -6.254 3.293 -4.054 1.00 0.12 C ATOM 1396 C MET A 90 -7.426 2.350 -4.127 1.00 0.12 C ATOM 1397 O MET A 90 -7.561 1.546 -5.045 1.00 0.13 O ATOM 1398 CB MET A 90 -6.488 4.563 -4.857 1.00 0.16 C ATOM 1399 CG MET A 90 -7.497 4.448 -5.988 1.00 0.68 C ATOM 1400 SD MET A 90 -6.819 3.686 -7.473 1.00 1.30 S ATOM 1401 CE MET A 90 -8.284 3.562 -8.494 1.00 1.92 C ATOM 0 H MET A 90 -4.913 2.164 -5.226 1.00 0.11 H new ATOM 0 HA MET A 90 -6.172 3.624 -3.019 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.820 5.346 -4.176 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.535 4.888 -5.275 1.00 0.16 H new ATOM 0 HG2 MET A 90 -8.351 3.864 -5.646 1.00 0.68 H new ATOM 0 HG3 MET A 90 -7.870 5.442 -6.236 1.00 0.68 H new ATOM 0 HE1 MET A 90 -8.024 3.108 -9.450 1.00 1.92 H new ATOM 0 HE2 MET A 90 -9.028 2.945 -7.990 1.00 1.92 H new ATOM 0 HE3 MET A 90 -8.694 4.557 -8.665 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.248 2.435 -3.117 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.408 1.595 -3.015 1.00 0.12 C ATOM 1413 C LEU A 91 -10.644 2.379 -3.370 1.00 0.14 C ATOM 1414 O LEU A 91 -10.835 3.508 -2.919 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.533 0.937 -1.624 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.737 1.828 -0.373 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.850 3.057 -0.381 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.201 2.216 -0.198 1.00 0.14 C ATOM 0 H LEU A 91 -8.132 3.088 -2.342 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.295 0.779 -3.729 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.369 0.239 -1.667 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.632 0.346 -1.460 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.438 1.225 0.485 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.035 3.645 0.518 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.804 2.751 -0.406 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.073 3.661 -1.261 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.308 2.841 0.689 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.538 2.769 -1.075 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.805 1.316 -0.083 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.464 1.806 -4.213 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.719 2.424 -4.526 1.00 0.23 C ATOM 1432 C ILE A 92 -13.838 1.614 -3.928 1.00 0.23 C ATOM 1433 O ILE A 92 -14.066 0.469 -4.294 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.932 2.593 -6.047 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.795 3.423 -6.650 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.282 3.241 -6.328 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.936 3.670 -8.136 1.00 0.51 C ATOM 0 H ILE A 92 -11.285 0.922 -4.689 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.712 3.426 -4.096 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.925 1.608 -6.513 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.747 4.383 -6.135 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.849 2.914 -6.465 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.415 3.352 -7.404 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.078 2.613 -5.927 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.320 4.222 -5.854 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.093 4.264 -8.488 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.953 2.716 -8.663 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.864 4.208 -8.329 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.497 2.211 -2.972 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.610 1.566 -2.330 1.00 0.28 C ATOM 1451 C GLY A 93 -15.984 2.270 -1.059 1.00 0.30 C ATOM 1452 O GLY A 93 -16.840 3.155 -1.061 1.00 0.45 O ATOM 0 H GLY A 93 -14.282 3.144 -2.620 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.465 1.551 -3.006 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.357 0.528 -2.113 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.315 1.918 0.022 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.627 2.499 1.304 1.00 0.26 C ATOM 1458 C GLU A 94 -14.391 2.600 2.191 1.00 0.24 C ATOM 1459 O GLU A 94 -13.817 1.592 2.593 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.688 1.651 1.995 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.648 2.461 2.846 1.00 0.98 C ATOM 1462 CD GLU A 94 -18.341 3.553 2.060 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.413 3.286 1.480 1.00 2.02 O ATOM 1464 OE2 GLU A 94 -17.813 4.685 2.015 1.00 2.17 O ATOM 0 H GLU A 94 -14.557 1.236 0.034 1.00 0.25 H new ATOM 0 HA GLU A 94 -16.001 3.509 1.139 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.255 1.106 1.240 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.196 0.908 2.623 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.397 1.796 3.276 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -17.103 2.907 3.678 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.981 3.822 2.476 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.990 4.066 3.506 1.00 0.26 C ATOM 1473 C LYS A 95 -13.724 4.461 4.776 1.00 0.39 C ATOM 1474 O LYS A 95 -13.602 5.588 5.256 1.00 0.48 O ATOM 1475 CB LYS A 95 -12.004 5.168 3.098 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.731 4.670 2.423 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.677 5.764 2.399 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.318 5.264 1.927 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.267 6.295 2.124 1.00 1.19 N ATOM 0 H LYS A 95 -14.320 4.662 2.007 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.404 3.160 3.663 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.511 5.857 2.423 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.729 5.737 3.986 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.347 3.799 2.955 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.954 4.349 1.405 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.010 6.569 1.744 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.576 6.187 3.398 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -8.051 4.360 2.474 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.373 4.994 0.872 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.329 5.855 2.038 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.369 7.037 1.402 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.367 6.716 3.070 1.00 1.19 H new ATOM 1493 N SER A 96 -14.522 3.531 5.280 1.00 0.46 N ATOM 1494 CA SER A 96 -15.376 3.788 6.444 1.00 0.65 C ATOM 1495 C SER A 96 -14.590 4.289 7.659 1.00 0.80 C ATOM 1496 O SER A 96 -13.453 3.886 7.899 1.00 0.99 O ATOM 1497 CB SER A 96 -16.142 2.522 6.827 1.00 0.74 C ATOM 1498 OG SER A 96 -17.047 2.146 5.804 1.00 1.30 O ATOM 0 H SER A 96 -14.600 2.586 4.904 1.00 0.46 H new ATOM 0 HA SER A 96 -16.069 4.577 6.152 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.439 1.710 7.012 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.687 2.690 7.756 1.00 0.74 H new ATOM 0 HG SER A 96 -17.298 1.206 5.919 1.00 1.30 H new ATOM 1504 N ASN A 97 -15.212 5.185 8.413 1.00 1.03 N ATOM 1505 CA ASN A 97 -14.658 5.647 9.677 1.00 1.27 C ATOM 1506 C ASN A 97 -15.733 5.619 10.753 1.00 1.85 C ATOM 1507 O ASN A 97 -16.292 6.692 11.069 1.00 2.21 O ATOM 1508 CB ASN A 97 -14.084 7.065 9.558 1.00 1.62 C ATOM 1509 CG ASN A 97 -12.675 7.092 8.997 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.469 7.258 7.794 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -11.693 6.931 9.870 1.00 2.63 N ATOM 1512 OXT ASN A 97 -16.050 4.519 11.250 1.00 2.58 O ATOM 0 H ASN A 97 -16.107 5.609 8.168 1.00 1.03 H new ATOM 0 HA ASN A 97 -13.844 4.975 9.950 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -14.735 7.661 8.918 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -14.086 7.535 10.541 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -10.723 6.942 9.554 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -11.906 6.796 10.858 1.00 2.63 H new TER 1519 ASN A 97