USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 861 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00222) USER MOD Set 2.1: A 73 HIS : no HD1:sc= 0 K(o=-1.2,f=-1.7) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.44) USER MOD Set 3.1: A 49 CYS SG : rot -41:sc= -0.0497 USER MOD Set 3.2: A 51 CYS SG : rot 180:sc= 0.0717 USER MOD Set 4.1: A 20 GLN : amide:sc= -0.236 K(o=-0.69,f=-1.8) USER MOD Set 4.2: A 22 HIS : no HD1:sc= -0.457 K(o=-0.69,f=-3.9!) USER MOD Set 5.1: A 12 SER OG : rot 70:sc= 2.13 USER MOD Set 5.2: A 27 LYS NZ :NH3+ -126:sc= 0.559 (180deg=-0.157) USER MOD Set 6.1: A 4 SER OG : rot -83:sc= -1.11! USER MOD Set 6.2: A 34 SER OG : rot 180:sc= 1 USER MOD Set 7.1: A 3 SER OG : rot 170:sc= -0.0773 USER MOD Set 7.2: A 5 HIS : no HE2:sc= 0.988 K(o=0.91,f=-2.1!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.108 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ -171:sc= -2.36! (180deg=-2.42!) USER MOD Single : A 6 HIS : no HE2:sc= 0.922 K(o=0.92,f=-3.2!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0962 X(o=-0.096,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 1.11 K(o=1.1,f=-6.1!) USER MOD Single : A 11 SER OG : rot 170:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.16) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -163:sc= -0.112 (180deg=-0.465) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.212 USER MOD Single : A 26 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-0.86) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -2.11 (180deg=-2.75) USER MOD Single : A 35 SER OG : rot 74:sc= 1.11 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0.159 (180deg=0.133) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0049 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.782) USER MOD Single : A 48 SER OG : rot 5:sc= 0.424 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 70:sc= 0.671 USER MOD Single : A 61 SER OG : rot 99:sc= 1.74 USER MOD Single : A 62 ASN : amide:sc= -2.82 K(o=-2.8,f=-0.52) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.996) USER MOD Single : A 78 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0774) USER MOD Single : A 85 GLN : amide:sc= 0.926 K(o=0.93,f=-0.29) USER MOD Single : A 86 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.93) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -97:sc= 1.25 USER MOD Single : A 92 MET CE :methyl -148:sc= -0.0901 (180deg=-0.675) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 0.0439 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0.112 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 100 TYR OH : rot 124:sc= 0.817 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.752) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.642 13.602 -37.830 1.00 34.77 N ATOM 2 CA MET A 1 8.986 14.148 -37.531 1.00 34.67 C ATOM 3 C MET A 1 9.910 13.038 -37.062 1.00 34.12 C ATOM 4 O MET A 1 9.498 12.155 -36.312 1.00 34.13 O ATOM 5 CB MET A 1 8.895 15.238 -36.457 1.00 35.09 C ATOM 6 CG MET A 1 8.150 16.484 -36.912 1.00 35.29 C ATOM 7 SD MET A 1 9.017 17.376 -38.221 1.00 35.98 S ATOM 8 CE MET A 1 10.485 17.917 -37.348 1.00 36.14 C ATOM 0 H1 MET A 1 7.065 14.334 -38.292 1.00 34.77 H new ATOM 0 H2 MET A 1 7.733 12.782 -38.463 1.00 34.77 H new ATOM 0 H3 MET A 1 7.183 13.306 -36.945 1.00 34.77 H new ATOM 0 HA MET A 1 9.391 14.587 -38.443 1.00 34.67 H new ATOM 0 HB2 MET A 1 8.397 14.829 -35.578 1.00 35.09 H new ATOM 0 HB3 MET A 1 9.903 15.519 -36.151 1.00 35.09 H new ATOM 0 HG2 MET A 1 7.159 16.201 -37.266 1.00 35.29 H new ATOM 0 HG3 MET A 1 8.006 17.148 -36.060 1.00 35.29 H new ATOM 0 HE1 MET A 1 10.938 18.753 -37.881 1.00 36.14 H new ATOM 0 HE2 MET A 1 10.214 18.233 -36.341 1.00 36.14 H new ATOM 0 HE3 MET A 1 11.198 17.094 -37.290 1.00 36.14 H new ATOM 20 N GLY A 2 11.158 13.084 -37.509 1.00 33.70 N ATOM 21 CA GLY A 2 12.109 12.049 -37.164 1.00 33.20 C ATOM 22 C GLY A 2 12.133 10.942 -38.196 1.00 32.51 C ATOM 23 O GLY A 2 11.155 10.735 -38.913 1.00 32.38 O ATOM 0 H GLY A 2 11.528 13.823 -38.106 1.00 33.70 H new ATOM 0 HA2 GLY A 2 13.104 12.485 -37.075 1.00 33.20 H new ATOM 0 HA3 GLY A 2 11.855 11.632 -36.189 1.00 33.20 H new ATOM 27 N SER A 3 13.252 10.243 -38.288 1.00 32.14 N ATOM 28 CA SER A 3 13.379 9.133 -39.215 1.00 31.53 C ATOM 29 C SER A 3 12.894 7.850 -38.547 1.00 30.66 C ATOM 30 O SER A 3 13.534 7.344 -37.619 1.00 30.36 O ATOM 31 CB SER A 3 14.832 8.986 -39.676 1.00 31.79 C ATOM 32 OG SER A 3 14.959 7.996 -40.683 1.00 32.35 O ATOM 0 H SER A 3 14.086 10.426 -37.731 1.00 32.14 H new ATOM 0 HA SER A 3 12.764 9.328 -40.093 1.00 31.53 H new ATOM 0 HB2 SER A 3 15.193 9.942 -40.056 1.00 31.79 H new ATOM 0 HB3 SER A 3 15.460 8.724 -38.825 1.00 31.79 H new ATOM 0 HG SER A 3 15.859 8.036 -41.069 1.00 32.35 H new ATOM 38 N SER A 4 11.760 7.347 -39.019 1.00 30.35 N ATOM 39 CA SER A 4 11.100 6.191 -38.425 1.00 29.61 C ATOM 40 C SER A 4 12.021 4.973 -38.333 1.00 28.85 C ATOM 41 O SER A 4 12.450 4.417 -39.345 1.00 28.81 O ATOM 42 CB SER A 4 9.866 5.846 -39.251 1.00 29.84 C ATOM 43 OG SER A 4 9.158 7.021 -39.599 1.00 30.38 O ATOM 0 H SER A 4 11.270 7.731 -39.827 1.00 30.35 H new ATOM 0 HA SER A 4 10.819 6.454 -37.405 1.00 29.61 H new ATOM 0 HB2 SER A 4 10.163 5.312 -40.154 1.00 29.84 H new ATOM 0 HB3 SER A 4 9.217 5.178 -38.685 1.00 29.84 H new ATOM 0 HG SER A 4 8.575 7.284 -38.856 1.00 30.38 H new ATOM 49 N HIS A 5 12.328 4.581 -37.105 1.00 28.34 N ATOM 50 CA HIS A 5 13.102 3.374 -36.837 1.00 27.68 C ATOM 51 C HIS A 5 12.501 2.660 -35.641 1.00 27.14 C ATOM 52 O HIS A 5 12.853 2.936 -34.497 1.00 26.86 O ATOM 53 CB HIS A 5 14.575 3.702 -36.575 1.00 27.51 C ATOM 54 CG HIS A 5 15.332 4.089 -37.807 1.00 27.78 C ATOM 55 ND1 HIS A 5 15.386 5.379 -38.287 1.00 27.73 N ATOM 56 CD2 HIS A 5 16.062 3.342 -38.663 1.00 28.20 C ATOM 57 CE1 HIS A 5 16.116 5.405 -39.386 1.00 28.10 C ATOM 58 NE2 HIS A 5 16.538 4.181 -39.637 1.00 28.39 N ATOM 0 H HIS A 5 12.049 5.089 -36.266 1.00 28.34 H new ATOM 0 HA HIS A 5 13.063 2.728 -37.714 1.00 27.68 H new ATOM 0 HB2 HIS A 5 14.634 4.516 -35.852 1.00 27.51 H new ATOM 0 HB3 HIS A 5 15.056 2.836 -36.120 1.00 27.51 H new ATOM 0 HD1 HIS A 5 14.933 6.187 -37.860 1.00 27.73 H new ATOM 0 HD2 HIS A 5 16.238 2.279 -38.593 1.00 28.20 H new ATOM 0 HE1 HIS A 5 16.332 6.281 -39.980 1.00 28.10 H new ATOM 67 N HIS A 6 11.574 1.755 -35.904 1.00 27.11 N ATOM 68 CA HIS A 6 10.771 1.185 -34.839 1.00 26.72 C ATOM 69 C HIS A 6 11.133 -0.269 -34.553 1.00 26.14 C ATOM 70 O HIS A 6 10.702 -1.185 -35.255 1.00 26.08 O ATOM 71 CB HIS A 6 9.283 1.313 -35.180 1.00 27.14 C ATOM 72 CG HIS A 6 8.364 0.824 -34.102 1.00 27.63 C ATOM 73 ND1 HIS A 6 8.449 1.238 -32.789 1.00 27.73 N ATOM 74 CD2 HIS A 6 7.334 -0.051 -34.151 1.00 28.14 C ATOM 75 CE1 HIS A 6 7.509 0.638 -32.080 1.00 28.29 C ATOM 76 NE2 HIS A 6 6.821 -0.147 -32.884 1.00 28.54 N ATOM 0 H HIS A 6 11.361 1.402 -36.837 1.00 27.11 H new ATOM 0 HA HIS A 6 10.984 1.748 -33.930 1.00 26.72 H new ATOM 0 HB2 HIS A 6 9.058 2.359 -35.388 1.00 27.14 H new ATOM 0 HB3 HIS A 6 9.082 0.756 -36.095 1.00 27.14 H new ATOM 0 HD1 HIS A 6 9.130 1.903 -32.423 1.00 27.73 H new ATOM 0 HD2 HIS A 6 6.981 -0.576 -35.026 1.00 28.14 H new ATOM 0 HE1 HIS A 6 7.335 0.769 -31.022 1.00 28.29 H new ATOM 85 N HIS A 7 11.948 -0.459 -33.530 1.00 25.80 N ATOM 86 CA HIS A 7 12.176 -1.777 -32.952 1.00 25.30 C ATOM 87 C HIS A 7 11.880 -1.715 -31.464 1.00 24.72 C ATOM 88 O HIS A 7 12.791 -1.579 -30.643 1.00 24.71 O ATOM 89 CB HIS A 7 13.605 -2.270 -33.207 1.00 25.34 C ATOM 90 CG HIS A 7 13.795 -2.852 -34.574 1.00 25.73 C ATOM 91 ND1 HIS A 7 14.598 -2.284 -35.539 1.00 25.90 N ATOM 92 CD2 HIS A 7 13.266 -3.963 -35.136 1.00 26.10 C ATOM 93 CE1 HIS A 7 14.550 -3.021 -36.635 1.00 26.34 C ATOM 94 NE2 HIS A 7 13.748 -4.045 -36.416 1.00 26.47 N ATOM 0 H HIS A 7 12.470 0.291 -33.076 1.00 25.80 H new ATOM 0 HA HIS A 7 11.509 -2.494 -33.431 1.00 25.30 H new ATOM 0 HB2 HIS A 7 14.298 -1.439 -33.074 1.00 25.34 H new ATOM 0 HB3 HIS A 7 13.861 -3.022 -32.461 1.00 25.34 H new ATOM 0 HD2 HIS A 7 12.588 -4.658 -34.663 1.00 26.10 H new ATOM 0 HE1 HIS A 7 15.078 -2.819 -37.555 1.00 26.34 H new ATOM 0 HE2 HIS A 7 13.523 -4.778 -37.089 1.00 26.47 H new ATOM 103 N HIS A 8 10.583 -1.767 -31.145 1.00 24.34 N ATOM 104 CA HIS A 8 10.062 -1.535 -29.791 1.00 23.83 C ATOM 105 C HIS A 8 10.218 -0.064 -29.391 1.00 23.17 C ATOM 106 O HIS A 8 9.282 0.552 -28.884 1.00 23.09 O ATOM 107 CB HIS A 8 10.731 -2.454 -28.758 1.00 23.99 C ATOM 108 CG HIS A 8 10.144 -2.338 -27.381 1.00 24.04 C ATOM 109 ND1 HIS A 8 10.906 -2.348 -26.234 1.00 24.18 N ATOM 110 CD2 HIS A 8 8.858 -2.224 -26.971 1.00 24.09 C ATOM 111 CE1 HIS A 8 10.117 -2.243 -25.182 1.00 24.31 C ATOM 112 NE2 HIS A 8 8.868 -2.168 -25.599 1.00 24.25 N ATOM 0 H HIS A 8 9.854 -1.974 -31.828 1.00 24.34 H new ATOM 0 HA HIS A 8 8.999 -1.778 -29.805 1.00 23.83 H new ATOM 0 HB2 HIS A 8 10.646 -3.487 -29.094 1.00 23.99 H new ATOM 0 HB3 HIS A 8 11.795 -2.221 -28.711 1.00 23.99 H new ATOM 0 HD2 HIS A 8 7.985 -2.184 -27.606 1.00 24.09 H new ATOM 0 HE1 HIS A 8 10.440 -2.222 -24.152 1.00 24.31 H new ATOM 0 HE2 HIS A 8 8.046 -2.083 -25.001 1.00 24.25 H new ATOM 121 N HIS A 9 11.402 0.485 -29.629 1.00 22.79 N ATOM 122 CA HIS A 9 11.687 1.888 -29.363 1.00 22.26 C ATOM 123 C HIS A 9 10.853 2.779 -30.284 1.00 21.56 C ATOM 124 O HIS A 9 10.584 2.420 -31.436 1.00 21.72 O ATOM 125 CB HIS A 9 13.188 2.152 -29.567 1.00 22.51 C ATOM 126 CG HIS A 9 13.655 3.510 -29.129 1.00 22.98 C ATOM 127 ND1 HIS A 9 13.606 3.939 -27.822 1.00 23.33 N ATOM 128 CD2 HIS A 9 14.207 4.526 -29.834 1.00 23.25 C ATOM 129 CE1 HIS A 9 14.106 5.156 -27.742 1.00 23.80 C ATOM 130 NE2 HIS A 9 14.481 5.538 -28.947 1.00 23.76 N ATOM 0 H HIS A 9 12.193 -0.032 -30.013 1.00 22.79 H new ATOM 0 HA HIS A 9 11.423 2.123 -28.332 1.00 22.26 H new ATOM 0 HB2 HIS A 9 13.753 1.396 -29.021 1.00 22.51 H new ATOM 0 HB3 HIS A 9 13.424 2.026 -30.624 1.00 22.51 H new ATOM 0 HD2 HIS A 9 14.397 4.538 -30.897 1.00 23.25 H new ATOM 0 HE1 HIS A 9 14.194 5.743 -26.840 1.00 23.80 H new ATOM 0 HE2 HIS A 9 14.904 6.436 -29.181 1.00 23.76 H new ATOM 139 N HIS A 10 10.421 3.917 -29.765 1.00 20.90 N ATOM 140 CA HIS A 10 9.661 4.879 -30.555 1.00 20.28 C ATOM 141 C HIS A 10 10.601 5.739 -31.391 1.00 19.70 C ATOM 142 O HIS A 10 11.817 5.578 -31.325 1.00 19.62 O ATOM 143 CB HIS A 10 8.807 5.768 -29.644 1.00 20.26 C ATOM 144 CG HIS A 10 7.622 5.071 -29.046 1.00 20.06 C ATOM 145 ND1 HIS A 10 6.350 5.187 -29.560 1.00 19.78 N ATOM 146 CD2 HIS A 10 7.517 4.252 -27.972 1.00 20.24 C ATOM 147 CE1 HIS A 10 5.514 4.475 -28.831 1.00 19.80 C ATOM 148 NE2 HIS A 10 6.194 3.896 -27.861 1.00 20.08 N ATOM 0 H HIS A 10 10.583 4.200 -28.798 1.00 20.90 H new ATOM 0 HA HIS A 10 9.000 4.327 -31.223 1.00 20.28 H new ATOM 0 HB2 HIS A 10 9.433 6.153 -28.839 1.00 20.26 H new ATOM 0 HB3 HIS A 10 8.459 6.628 -30.216 1.00 20.26 H new ATOM 0 HD1 HIS A 10 6.094 5.739 -30.379 1.00 19.78 H new ATOM 0 HD2 HIS A 10 8.322 3.938 -27.324 1.00 20.24 H new ATOM 0 HE1 HIS A 10 4.451 4.382 -29.000 1.00 19.80 H new ATOM 157 N SER A 11 10.043 6.660 -32.160 1.00 19.43 N ATOM 158 CA SER A 11 10.847 7.553 -32.981 1.00 19.01 C ATOM 159 C SER A 11 11.053 8.874 -32.244 1.00 18.01 C ATOM 160 O SER A 11 11.386 9.902 -32.836 1.00 18.01 O ATOM 161 CB SER A 11 10.161 7.782 -34.331 1.00 19.28 C ATOM 162 OG SER A 11 9.928 6.546 -34.994 1.00 19.89 O ATOM 0 H SER A 11 9.037 6.809 -32.233 1.00 19.43 H new ATOM 0 HA SER A 11 11.821 7.101 -33.167 1.00 19.01 H new ATOM 0 HB2 SER A 11 9.216 8.303 -34.180 1.00 19.28 H new ATOM 0 HB3 SER A 11 10.782 8.424 -34.956 1.00 19.28 H new ATOM 0 HG SER A 11 9.350 6.696 -35.771 1.00 19.89 H new ATOM 168 N SER A 12 10.874 8.817 -30.934 1.00 17.26 N ATOM 169 CA SER A 12 10.970 9.987 -30.091 1.00 16.34 C ATOM 170 C SER A 12 12.148 9.865 -29.129 1.00 16.15 C ATOM 171 O SER A 12 12.618 8.763 -28.847 1.00 16.20 O ATOM 172 CB SER A 12 9.663 10.159 -29.319 1.00 15.87 C ATOM 173 OG SER A 12 8.568 10.300 -30.212 1.00 15.96 O ATOM 0 H SER A 12 10.658 7.957 -30.430 1.00 17.26 H new ATOM 0 HA SER A 12 11.139 10.864 -30.715 1.00 16.34 H new ATOM 0 HB2 SER A 12 9.502 9.298 -28.671 1.00 15.87 H new ATOM 0 HB3 SER A 12 9.728 11.035 -28.674 1.00 15.87 H new ATOM 0 HG SER A 12 8.404 9.447 -30.666 1.00 15.96 H new ATOM 179 N GLY A 13 12.620 11.000 -28.632 1.00 16.12 N ATOM 180 CA GLY A 13 13.750 10.998 -27.726 1.00 16.13 C ATOM 181 C GLY A 13 14.677 12.168 -27.970 1.00 16.30 C ATOM 182 O GLY A 13 15.895 12.029 -27.912 1.00 16.67 O ATOM 0 H GLY A 13 12.240 11.923 -28.841 1.00 16.12 H new ATOM 0 HA2 GLY A 13 13.390 11.030 -26.698 1.00 16.13 H new ATOM 0 HA3 GLY A 13 14.304 10.067 -27.841 1.00 16.13 H new ATOM 186 N ARG A 14 14.100 13.329 -28.239 1.00 16.15 N ATOM 187 CA ARG A 14 14.886 14.526 -28.510 1.00 16.46 C ATOM 188 C ARG A 14 14.691 15.533 -27.388 1.00 15.51 C ATOM 189 O ARG A 14 15.615 16.233 -26.981 1.00 15.72 O ATOM 190 CB ARG A 14 14.461 15.154 -29.838 1.00 17.13 C ATOM 191 CG ARG A 14 14.541 14.209 -31.026 1.00 17.25 C ATOM 192 CD ARG A 14 14.064 14.885 -32.301 1.00 17.95 C ATOM 193 NE ARG A 14 12.683 15.362 -32.190 1.00 18.07 N ATOM 194 CZ ARG A 14 12.229 16.482 -32.757 1.00 18.64 C ATOM 195 NH1 ARG A 14 13.042 17.247 -33.478 1.00 19.13 N ATOM 196 NH2 ARG A 14 10.957 16.835 -32.596 1.00 18.84 N ATOM 0 H ARG A 14 13.090 13.469 -28.276 1.00 16.15 H new ATOM 0 HA ARG A 14 15.938 14.246 -28.572 1.00 16.46 H new ATOM 0 HB2 ARG A 14 13.437 15.517 -29.745 1.00 17.13 H new ATOM 0 HB3 ARG A 14 15.090 16.022 -30.035 1.00 17.13 H new ATOM 0 HG2 ARG A 14 15.569 13.869 -31.155 1.00 17.25 H new ATOM 0 HG3 ARG A 14 13.934 13.325 -30.832 1.00 17.25 H new ATOM 0 HD2 ARG A 14 14.719 15.725 -32.532 1.00 17.95 H new ATOM 0 HD3 ARG A 14 14.139 14.184 -33.132 1.00 17.95 H new ATOM 0 HE ARG A 14 12.027 14.803 -31.645 1.00 18.07 H new ATOM 0 HH11 ARG A 14 14.019 16.979 -33.601 1.00 19.13 H new ATOM 0 HH12 ARG A 14 12.689 18.102 -33.909 1.00 19.13 H new ATOM 0 HH21 ARG A 14 10.332 16.251 -32.041 1.00 18.84 H new ATOM 0 HH22 ARG A 14 10.606 17.690 -33.028 1.00 18.84 H new ATOM 210 N GLU A 15 13.472 15.565 -26.875 1.00 14.57 N ATOM 211 CA GLU A 15 13.078 16.508 -25.842 1.00 13.69 C ATOM 212 C GLU A 15 13.406 15.980 -24.449 1.00 12.97 C ATOM 213 O GLU A 15 12.887 16.479 -23.449 1.00 12.15 O ATOM 214 CB GLU A 15 11.578 16.801 -25.951 1.00 13.29 C ATOM 215 CG GLU A 15 10.710 15.556 -26.090 1.00 13.12 C ATOM 216 CD GLU A 15 10.631 15.049 -27.520 1.00 13.58 C ATOM 217 OE1 GLU A 15 9.792 15.570 -28.288 1.00 13.59 O ATOM 218 OE2 GLU A 15 11.411 14.138 -27.886 1.00 14.07 O ATOM 0 H GLU A 15 12.725 14.934 -27.165 1.00 14.57 H new ATOM 0 HA GLU A 15 13.642 17.428 -25.992 1.00 13.69 H new ATOM 0 HB2 GLU A 15 11.262 17.355 -25.067 1.00 13.29 H new ATOM 0 HB3 GLU A 15 11.407 17.448 -26.811 1.00 13.29 H new ATOM 0 HG2 GLU A 15 11.109 14.768 -25.452 1.00 13.12 H new ATOM 0 HG3 GLU A 15 9.705 15.778 -25.732 1.00 13.12 H new ATOM 225 N ASN A 16 14.279 14.982 -24.386 1.00 13.44 N ATOM 226 CA ASN A 16 14.688 14.401 -23.110 1.00 13.06 C ATOM 227 C ASN A 16 15.749 15.279 -22.457 1.00 13.07 C ATOM 228 O ASN A 16 16.077 15.113 -21.284 1.00 12.89 O ATOM 229 CB ASN A 16 15.230 12.976 -23.303 1.00 13.83 C ATOM 230 CG ASN A 16 16.619 12.942 -23.924 1.00 14.84 C ATOM 231 OD1 ASN A 16 17.625 12.988 -23.219 1.00 15.24 O ATOM 232 ND2 ASN A 16 16.685 12.841 -25.241 1.00 15.40 N ATOM 0 H ASN A 16 14.718 14.557 -25.203 1.00 13.44 H new ATOM 0 HA ASN A 16 13.814 14.348 -22.461 1.00 13.06 H new ATOM 0 HB2 ASN A 16 15.258 12.471 -22.337 1.00 13.83 H new ATOM 0 HB3 ASN A 16 14.542 12.415 -23.936 1.00 13.83 H new ATOM 0 HD21 ASN A 16 17.593 12.799 -25.704 1.00 15.40 H new ATOM 0 HD22 ASN A 16 15.828 12.805 -25.793 1.00 15.40 H new ATOM 239 N LEU A 17 16.276 16.213 -23.237 1.00 13.46 N ATOM 240 CA LEU A 17 17.301 17.132 -22.762 1.00 13.68 C ATOM 241 C LEU A 17 16.690 18.199 -21.863 1.00 12.77 C ATOM 242 O LEU A 17 17.352 18.755 -20.987 1.00 12.88 O ATOM 243 CB LEU A 17 17.988 17.795 -23.957 1.00 14.64 C ATOM 244 CG LEU A 17 18.582 16.829 -24.983 1.00 15.73 C ATOM 245 CD1 LEU A 17 19.058 17.588 -26.209 1.00 16.13 C ATOM 246 CD2 LEU A 17 19.723 16.036 -24.369 1.00 16.35 C ATOM 0 H LEU A 17 16.007 16.355 -24.211 1.00 13.46 H new ATOM 0 HA LEU A 17 18.034 16.570 -22.184 1.00 13.68 H new ATOM 0 HB2 LEU A 17 17.266 18.437 -24.461 1.00 14.64 H new ATOM 0 HB3 LEU A 17 18.784 18.441 -23.586 1.00 14.64 H new ATOM 0 HG LEU A 17 17.805 16.129 -25.291 1.00 15.73 H new ATOM 0 HD11 LEU A 17 19.478 16.887 -26.930 1.00 16.13 H new ATOM 0 HD12 LEU A 17 18.217 18.113 -26.661 1.00 16.13 H new ATOM 0 HD13 LEU A 17 19.821 18.309 -25.917 1.00 16.13 H new ATOM 0 HD21 LEU A 17 20.134 15.354 -25.113 1.00 16.35 H new ATOM 0 HD22 LEU A 17 20.503 16.720 -24.034 1.00 16.35 H new ATOM 0 HD23 LEU A 17 19.352 15.464 -23.518 1.00 16.35 H new ATOM 258 N TYR A 18 15.415 18.475 -22.085 1.00 12.00 N ATOM 259 CA TYR A 18 14.721 19.518 -21.350 1.00 11.22 C ATOM 260 C TYR A 18 13.611 18.922 -20.497 1.00 10.27 C ATOM 261 O TYR A 18 13.363 17.718 -20.536 1.00 9.92 O ATOM 262 CB TYR A 18 14.137 20.557 -22.315 1.00 11.19 C ATOM 263 CG TYR A 18 15.172 21.278 -23.152 1.00 12.23 C ATOM 264 CD1 TYR A 18 15.583 20.765 -24.374 1.00 12.95 C ATOM 265 CD2 TYR A 18 15.732 22.473 -22.719 1.00 12.64 C ATOM 266 CE1 TYR A 18 16.524 21.421 -25.145 1.00 13.98 C ATOM 267 CE2 TYR A 18 16.674 23.138 -23.485 1.00 13.68 C ATOM 268 CZ TYR A 18 17.067 22.607 -24.696 1.00 14.32 C ATOM 269 OH TYR A 18 18.005 23.267 -25.465 1.00 15.41 O ATOM 0 H TYR A 18 14.838 17.988 -22.771 1.00 12.00 H new ATOM 0 HA TYR A 18 15.441 20.010 -20.696 1.00 11.22 H new ATOM 0 HB2 TYR A 18 13.430 20.061 -22.980 1.00 11.19 H new ATOM 0 HB3 TYR A 18 13.573 21.293 -21.741 1.00 11.19 H new ATOM 0 HD1 TYR A 18 15.160 19.837 -24.729 1.00 12.95 H new ATOM 0 HD2 TYR A 18 15.428 22.890 -21.770 1.00 12.64 H new ATOM 0 HE1 TYR A 18 16.832 21.007 -26.094 1.00 13.98 H new ATOM 0 HE2 TYR A 18 17.099 24.068 -23.136 1.00 13.68 H new ATOM 0 HH TYR A 18 18.286 24.086 -25.007 1.00 15.41 H new ATOM 279 N PHE A 19 12.929 19.777 -19.745 1.00 10.05 N ATOM 280 CA PHE A 19 11.826 19.356 -18.882 1.00 9.38 C ATOM 281 C PHE A 19 10.543 19.170 -19.692 1.00 8.44 C ATOM 282 O PHE A 19 9.448 19.103 -19.134 1.00 7.95 O ATOM 283 CB PHE A 19 11.597 20.396 -17.777 1.00 9.94 C ATOM 284 CG PHE A 19 11.139 21.737 -18.290 1.00 10.27 C ATOM 285 CD1 PHE A 19 12.034 22.613 -18.883 1.00 10.88 C ATOM 286 CD2 PHE A 19 9.809 22.115 -18.186 1.00 10.22 C ATOM 287 CE1 PHE A 19 11.613 23.836 -19.361 1.00 11.39 C ATOM 288 CE2 PHE A 19 9.384 23.340 -18.662 1.00 10.77 C ATOM 289 CZ PHE A 19 10.288 24.201 -19.251 1.00 11.34 C ATOM 0 H PHE A 19 13.122 20.778 -19.714 1.00 10.05 H new ATOM 0 HA PHE A 19 12.091 18.401 -18.429 1.00 9.38 H new ATOM 0 HB2 PHE A 19 10.854 20.012 -17.078 1.00 9.94 H new ATOM 0 HB3 PHE A 19 12.523 20.528 -17.218 1.00 9.94 H new ATOM 0 HD1 PHE A 19 13.074 22.335 -18.972 1.00 10.88 H new ATOM 0 HD2 PHE A 19 9.097 21.444 -17.728 1.00 10.22 H new ATOM 0 HE1 PHE A 19 12.322 24.508 -19.822 1.00 11.39 H new ATOM 0 HE2 PHE A 19 8.346 23.624 -18.573 1.00 10.77 H new ATOM 0 HZ PHE A 19 9.958 25.159 -19.625 1.00 11.34 H new ATOM 299 N GLN A 20 10.699 19.081 -21.010 1.00 8.42 N ATOM 300 CA GLN A 20 9.573 18.977 -21.927 1.00 7.85 C ATOM 301 C GLN A 20 8.670 17.797 -21.591 1.00 7.07 C ATOM 302 O GLN A 20 7.610 17.977 -20.994 1.00 7.05 O ATOM 303 CB GLN A 20 10.071 18.847 -23.367 1.00 8.59 C ATOM 304 CG GLN A 20 10.771 20.088 -23.888 1.00 9.58 C ATOM 305 CD GLN A 20 9.852 21.291 -23.941 1.00 10.21 C ATOM 306 OE1 GLN A 20 9.163 21.513 -24.936 1.00 10.77 O ATOM 307 NE2 GLN A 20 9.837 22.074 -22.874 1.00 10.35 N ATOM 0 H GLN A 20 11.609 19.079 -21.470 1.00 8.42 H new ATOM 0 HA GLN A 20 8.987 19.890 -21.821 1.00 7.85 H new ATOM 0 HB2 GLN A 20 10.756 18.002 -23.429 1.00 8.59 H new ATOM 0 HB3 GLN A 20 9.225 18.620 -24.015 1.00 8.59 H new ATOM 0 HG2 GLN A 20 11.625 20.315 -23.250 1.00 9.58 H new ATOM 0 HG3 GLN A 20 11.162 19.889 -24.886 1.00 9.58 H new ATOM 0 HE21 GLN A 20 10.425 21.852 -22.070 1.00 10.35 H new ATOM 0 HE22 GLN A 20 9.238 22.899 -22.855 1.00 10.35 H new ATOM 316 N GLY A 21 9.094 16.594 -21.976 1.00 6.73 N ATOM 317 CA GLY A 21 8.267 15.412 -21.786 1.00 6.33 C ATOM 318 C GLY A 21 6.873 15.593 -22.364 1.00 5.42 C ATOM 319 O GLY A 21 5.894 15.064 -21.836 1.00 5.50 O ATOM 0 H GLY A 21 9.997 16.417 -22.417 1.00 6.73 H new ATOM 0 HA2 GLY A 21 8.747 14.554 -22.258 1.00 6.33 H new ATOM 0 HA3 GLY A 21 8.192 15.189 -20.722 1.00 6.33 H new ATOM 323 N HIS A 22 6.788 16.348 -23.456 1.00 4.89 N ATOM 324 CA HIS A 22 5.502 16.706 -24.041 1.00 4.23 C ATOM 325 C HIS A 22 4.898 15.556 -24.844 1.00 3.24 C ATOM 326 O HIS A 22 5.030 15.487 -26.064 1.00 3.42 O ATOM 327 CB HIS A 22 5.608 17.983 -24.902 1.00 4.82 C ATOM 328 CG HIS A 22 6.773 18.029 -25.858 1.00 5.13 C ATOM 329 ND1 HIS A 22 7.569 19.143 -26.012 1.00 5.51 N ATOM 330 CD2 HIS A 22 7.267 17.104 -26.715 1.00 5.53 C ATOM 331 CE1 HIS A 22 8.499 18.898 -26.918 1.00 6.05 C ATOM 332 NE2 HIS A 22 8.337 17.665 -27.361 1.00 6.08 N ATOM 0 H HIS A 22 7.596 16.723 -23.953 1.00 4.89 H new ATOM 0 HA HIS A 22 4.826 16.915 -23.211 1.00 4.23 H new ATOM 0 HB2 HIS A 22 4.687 18.091 -25.474 1.00 4.82 H new ATOM 0 HB3 HIS A 22 5.673 18.844 -24.237 1.00 4.82 H new ATOM 0 HD2 HIS A 22 6.886 16.104 -26.863 1.00 5.53 H new ATOM 0 HE1 HIS A 22 9.263 19.590 -27.242 1.00 6.05 H new ATOM 0 HE2 HIS A 22 8.913 17.206 -28.067 1.00 6.08 H new ATOM 341 N MET A 23 4.240 14.647 -24.148 1.00 2.70 N ATOM 342 CA MET A 23 3.543 13.553 -24.804 1.00 2.18 C ATOM 343 C MET A 23 2.117 13.972 -25.128 1.00 1.83 C ATOM 344 O MET A 23 1.156 13.330 -24.709 1.00 2.36 O ATOM 345 CB MET A 23 3.549 12.295 -23.929 1.00 2.61 C ATOM 346 CG MET A 23 4.930 11.687 -23.743 1.00 2.99 C ATOM 347 SD MET A 23 4.897 10.150 -22.800 1.00 3.68 S ATOM 348 CE MET A 23 4.253 10.727 -21.231 1.00 4.41 C ATOM 0 H MET A 23 4.173 14.643 -23.130 1.00 2.70 H new ATOM 0 HA MET A 23 4.063 13.316 -25.732 1.00 2.18 H new ATOM 0 HB2 MET A 23 3.135 12.541 -22.951 1.00 2.61 H new ATOM 0 HB3 MET A 23 2.891 11.550 -24.375 1.00 2.61 H new ATOM 0 HG2 MET A 23 5.373 11.498 -24.721 1.00 2.99 H new ATOM 0 HG3 MET A 23 5.573 12.406 -23.235 1.00 2.99 H new ATOM 0 HE1 MET A 23 4.452 9.983 -20.460 1.00 4.41 H new ATOM 0 HE2 MET A 23 4.737 11.666 -20.962 1.00 4.41 H new ATOM 0 HE3 MET A 23 3.178 10.884 -21.315 1.00 4.41 H new ATOM 358 N CYS A 24 1.994 15.069 -25.865 1.00 1.24 N ATOM 359 CA CYS A 24 0.697 15.579 -26.274 1.00 0.95 C ATOM 360 C CYS A 24 0.058 14.632 -27.281 1.00 0.84 C ATOM 361 O CYS A 24 0.760 13.935 -28.017 1.00 0.77 O ATOM 362 CB CYS A 24 0.842 16.980 -26.881 1.00 0.99 C ATOM 363 SG CYS A 24 -0.707 17.693 -27.488 1.00 1.71 S ATOM 0 H CYS A 24 2.785 15.624 -26.192 1.00 1.24 H new ATOM 0 HA CYS A 24 0.054 15.646 -25.396 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.265 17.647 -26.130 1.00 0.99 H new ATOM 0 HB3 CYS A 24 1.555 16.934 -27.705 1.00 0.99 H new ATOM 0 HG CYS A 24 -0.478 18.875 -27.978 1.00 1.71 H new ATOM 369 N ILE A 25 -1.273 14.623 -27.312 1.00 0.89 N ATOM 370 CA ILE A 25 -2.029 13.746 -28.202 1.00 0.88 C ATOM 371 C ILE A 25 -1.586 13.918 -29.659 1.00 0.74 C ATOM 372 O ILE A 25 -1.605 12.968 -30.440 1.00 0.71 O ATOM 373 CB ILE A 25 -3.552 14.004 -28.073 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.347 12.967 -28.868 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.912 15.412 -28.527 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.181 11.557 -28.348 1.00 1.37 C ATOM 0 H ILE A 25 -1.855 15.220 -26.724 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.824 12.719 -27.901 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.817 13.910 -27.020 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.404 13.233 -28.844 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -4.033 13.001 -29.911 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.987 15.564 -28.425 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.383 16.139 -27.911 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.625 15.543 -29.570 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.772 10.873 -28.957 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.130 11.272 -28.398 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.522 11.508 -27.314 1.00 1.37 H new ATOM 388 N GLN A 26 -1.158 15.131 -30.000 1.00 0.69 N ATOM 389 CA GLN A 26 -0.662 15.429 -31.338 1.00 0.64 C ATOM 390 C GLN A 26 0.537 14.546 -31.671 1.00 0.56 C ATOM 391 O GLN A 26 0.560 13.870 -32.699 1.00 0.59 O ATOM 392 CB GLN A 26 -0.260 16.903 -31.426 1.00 0.70 C ATOM 393 CG GLN A 26 0.223 17.328 -32.805 1.00 0.80 C ATOM 394 CD GLN A 26 0.786 18.736 -32.818 1.00 1.23 C ATOM 395 OE1 GLN A 26 1.348 19.205 -31.829 1.00 1.75 O ATOM 396 NE2 GLN A 26 0.635 19.423 -33.938 1.00 1.54 N ATOM 0 H GLN A 26 -1.146 15.927 -29.362 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.456 15.227 -32.057 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.113 17.520 -31.144 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.528 17.099 -30.699 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.988 16.632 -33.148 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.605 17.265 -33.511 1.00 0.80 H new ATOM 0 HE21 GLN A 26 0.163 18.999 -34.737 1.00 1.54 H new ATOM 0 HE22 GLN A 26 0.990 20.377 -34.003 1.00 1.54 H new ATOM 405 N LYS A 27 1.521 14.548 -30.781 1.00 0.56 N ATOM 406 CA LYS A 27 2.744 13.789 -30.992 1.00 0.60 C ATOM 407 C LYS A 27 2.494 12.290 -30.842 1.00 0.58 C ATOM 408 O LYS A 27 3.173 11.479 -31.473 1.00 0.58 O ATOM 409 CB LYS A 27 3.836 14.250 -30.024 1.00 0.75 C ATOM 410 CG LYS A 27 5.129 13.467 -30.166 1.00 1.27 C ATOM 411 CD LYS A 27 6.239 14.036 -29.302 1.00 1.53 C ATOM 412 CE LYS A 27 7.455 13.127 -29.318 1.00 1.93 C ATOM 413 NZ LYS A 27 7.963 12.893 -30.698 1.00 2.50 N ATOM 0 H LYS A 27 1.494 15.069 -29.904 1.00 0.56 H new ATOM 0 HA LYS A 27 3.083 13.974 -32.011 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.039 15.308 -30.192 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.471 14.154 -29.002 1.00 0.75 H new ATOM 0 HG2 LYS A 27 4.954 12.427 -29.892 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.443 13.473 -31.210 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.515 15.027 -29.663 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.884 14.157 -28.279 1.00 1.53 H new ATOM 0 HE2 LYS A 27 8.245 13.569 -28.712 1.00 1.93 H new ATOM 0 HE3 LYS A 27 7.199 12.172 -28.860 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 8.026 11.870 -30.876 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.313 13.325 -31.385 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 8.906 13.320 -30.798 1.00 2.50 H new ATOM 427 N VAL A 28 1.522 11.924 -30.010 1.00 0.62 N ATOM 428 CA VAL A 28 1.161 10.520 -29.834 1.00 0.68 C ATOM 429 C VAL A 28 0.782 9.896 -31.175 1.00 0.62 C ATOM 430 O VAL A 28 1.301 8.848 -31.551 1.00 0.62 O ATOM 431 CB VAL A 28 -0.005 10.346 -28.834 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.445 8.891 -28.756 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.395 10.849 -27.456 1.00 1.04 C ATOM 0 H VAL A 28 0.973 12.576 -29.450 1.00 0.62 H new ATOM 0 HA VAL A 28 2.035 10.011 -29.427 1.00 0.68 H new ATOM 0 HB VAL A 28 -0.847 10.938 -29.193 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.266 8.797 -28.046 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.776 8.558 -29.740 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.392 8.275 -28.427 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.438 10.719 -26.765 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.255 10.284 -27.098 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.655 11.906 -27.516 1.00 1.04 H new ATOM 443 N ILE A 29 -0.105 10.567 -31.898 1.00 0.60 N ATOM 444 CA ILE A 29 -0.521 10.111 -33.220 1.00 0.57 C ATOM 445 C ILE A 29 0.645 10.193 -34.208 1.00 0.52 C ATOM 446 O ILE A 29 0.848 9.286 -35.019 1.00 0.51 O ATOM 447 CB ILE A 29 -1.735 10.934 -33.743 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.057 10.368 -33.207 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.771 10.980 -35.264 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.199 10.426 -31.703 1.00 0.79 C ATOM 0 H ILE A 29 -0.552 11.431 -31.591 1.00 0.60 H new ATOM 0 HA ILE A 29 -0.832 9.070 -33.132 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.611 11.952 -33.374 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.883 10.918 -33.659 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.151 9.331 -33.529 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.632 11.563 -35.590 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.857 11.443 -35.636 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.849 9.966 -35.657 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.162 10.006 -31.412 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.397 9.851 -31.239 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.141 11.463 -31.372 1.00 0.79 H new ATOM 462 N GLU A 30 1.424 11.263 -34.100 1.00 0.53 N ATOM 463 CA GLU A 30 2.542 11.514 -35.006 1.00 0.55 C ATOM 464 C GLU A 30 3.555 10.367 -34.954 1.00 0.55 C ATOM 465 O GLU A 30 3.895 9.782 -35.981 1.00 0.58 O ATOM 466 CB GLU A 30 3.205 12.846 -34.625 1.00 0.64 C ATOM 467 CG GLU A 30 3.885 13.575 -35.775 1.00 0.99 C ATOM 468 CD GLU A 30 5.258 13.033 -36.115 1.00 1.49 C ATOM 469 OE1 GLU A 30 6.232 13.390 -35.418 1.00 1.84 O ATOM 470 OE2 GLU A 30 5.384 12.286 -37.101 1.00 2.20 O ATOM 0 H GLU A 30 1.300 11.980 -33.385 1.00 0.53 H new ATOM 0 HA GLU A 30 2.170 11.575 -36.029 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.448 13.502 -34.195 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.944 12.658 -33.846 1.00 0.64 H new ATOM 0 HG2 GLU A 30 3.250 13.512 -36.659 1.00 0.99 H new ATOM 0 HG3 GLU A 30 3.974 14.631 -35.521 1.00 0.99 H new ATOM 477 N ASP A 31 3.995 10.020 -33.748 1.00 0.57 N ATOM 478 CA ASP A 31 4.969 8.942 -33.557 1.00 0.64 C ATOM 479 C ASP A 31 4.354 7.595 -33.925 1.00 0.57 C ATOM 480 O ASP A 31 5.017 6.727 -34.503 1.00 0.61 O ATOM 481 CB ASP A 31 5.452 8.922 -32.098 1.00 0.80 C ATOM 482 CG ASP A 31 6.495 7.850 -31.819 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.116 6.671 -31.648 1.00 1.67 O ATOM 484 OD2 ASP A 31 7.696 8.190 -31.733 1.00 1.17 O ATOM 0 H ASP A 31 3.693 10.470 -32.884 1.00 0.57 H new ATOM 0 HA ASP A 31 5.822 9.123 -34.211 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.869 9.898 -31.848 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.596 8.764 -31.442 1.00 0.80 H new ATOM 489 N LYS A 32 3.075 7.445 -33.612 1.00 0.53 N ATOM 490 CA LYS A 32 2.359 6.196 -33.832 1.00 0.55 C ATOM 491 C LYS A 32 2.258 5.860 -35.320 1.00 0.48 C ATOM 492 O LYS A 32 2.638 4.764 -35.740 1.00 0.52 O ATOM 493 CB LYS A 32 0.972 6.287 -33.194 1.00 0.67 C ATOM 494 CG LYS A 32 0.149 5.015 -33.285 1.00 0.97 C ATOM 495 CD LYS A 32 -1.028 5.067 -32.325 1.00 1.09 C ATOM 496 CE LYS A 32 -1.987 3.912 -32.546 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.675 4.011 -33.858 1.00 2.03 N ATOM 0 H LYS A 32 2.505 8.184 -33.199 1.00 0.53 H new ATOM 0 HA LYS A 32 2.918 5.387 -33.362 1.00 0.55 H new ATOM 0 HB2 LYS A 32 1.087 6.555 -32.144 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.420 7.096 -33.671 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -0.213 4.882 -34.305 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.775 4.153 -33.054 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.661 5.044 -31.299 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.559 6.010 -32.452 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.441 2.970 -32.492 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -2.728 3.897 -31.747 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -3.090 3.089 -34.103 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -3.428 4.726 -33.802 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.989 4.287 -34.590 1.00 2.03 H new ATOM 511 N LEU A 33 1.769 6.802 -36.123 1.00 0.44 N ATOM 512 CA LEU A 33 1.628 6.562 -37.555 1.00 0.44 C ATOM 513 C LEU A 33 2.997 6.533 -38.231 1.00 0.46 C ATOM 514 O LEU A 33 3.182 5.856 -39.240 1.00 0.51 O ATOM 515 CB LEU A 33 0.698 7.603 -38.212 1.00 0.47 C ATOM 516 CG LEU A 33 1.125 9.077 -38.123 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.153 9.426 -39.191 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.089 9.983 -38.248 1.00 0.55 C ATOM 0 H LEU A 33 1.468 7.725 -35.812 1.00 0.44 H new ATOM 0 HA LEU A 33 1.163 5.585 -37.690 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.591 7.345 -39.266 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.289 7.509 -37.759 1.00 0.47 H new ATOM 0 HG LEU A 33 1.590 9.232 -37.149 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.432 10.476 -39.098 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.038 8.803 -39.062 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.726 9.250 -40.178 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.226 11.024 -38.183 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.575 9.810 -39.208 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.790 9.765 -37.442 1.00 0.55 H new ATOM 530 N SER A 34 3.957 7.257 -37.661 1.00 0.47 N ATOM 531 CA SER A 34 5.316 7.276 -38.186 1.00 0.53 C ATOM 532 C SER A 34 5.936 5.885 -38.082 1.00 0.54 C ATOM 533 O SER A 34 6.529 5.380 -39.036 1.00 0.59 O ATOM 534 CB SER A 34 6.165 8.301 -37.420 1.00 0.60 C ATOM 535 OG SER A 34 7.487 8.373 -37.929 1.00 1.29 O ATOM 0 H SER A 34 3.817 7.838 -36.835 1.00 0.47 H new ATOM 0 HA SER A 34 5.286 7.567 -39.236 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.696 9.283 -37.485 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.196 8.032 -36.364 1.00 0.60 H new ATOM 0 HG SER A 34 7.998 9.036 -37.419 1.00 1.29 H new ATOM 541 N SER A 35 5.755 5.258 -36.929 1.00 0.55 N ATOM 542 CA SER A 35 6.309 3.938 -36.668 1.00 0.62 C ATOM 543 C SER A 35 5.746 2.881 -37.626 1.00 0.59 C ATOM 544 O SER A 35 6.405 1.881 -37.917 1.00 0.65 O ATOM 545 CB SER A 35 6.032 3.548 -35.215 1.00 0.72 C ATOM 546 OG SER A 35 6.643 4.466 -34.318 1.00 0.78 O ATOM 0 H SER A 35 5.222 5.648 -36.151 1.00 0.55 H new ATOM 0 HA SER A 35 7.385 3.981 -36.837 1.00 0.62 H new ATOM 0 HB2 SER A 35 4.956 3.523 -35.040 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.409 2.543 -35.026 1.00 0.72 H new ATOM 0 HG SER A 35 6.137 5.305 -34.314 1.00 0.78 H new ATOM 552 N ALA A 36 4.532 3.106 -38.117 1.00 0.54 N ATOM 553 CA ALA A 36 3.878 2.146 -38.998 1.00 0.57 C ATOM 554 C ALA A 36 4.128 2.459 -40.474 1.00 0.51 C ATOM 555 O ALA A 36 4.617 1.613 -41.224 1.00 0.52 O ATOM 556 CB ALA A 36 2.384 2.110 -38.712 1.00 0.64 C ATOM 0 H ALA A 36 3.982 3.942 -37.920 1.00 0.54 H new ATOM 0 HA ALA A 36 4.310 1.166 -38.796 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.904 1.390 -39.375 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.219 1.815 -37.676 1.00 0.64 H new ATOM 0 HB3 ALA A 36 1.957 3.099 -38.880 1.00 0.64 H new ATOM 562 N LEU A 37 3.808 3.682 -40.880 1.00 0.50 N ATOM 563 CA LEU A 37 3.898 4.079 -42.283 1.00 0.53 C ATOM 564 C LEU A 37 5.347 4.237 -42.722 1.00 0.52 C ATOM 565 O LEU A 37 5.678 3.995 -43.884 1.00 0.62 O ATOM 566 CB LEU A 37 3.141 5.391 -42.512 1.00 0.57 C ATOM 567 CG LEU A 37 1.634 5.326 -42.257 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.011 6.704 -42.401 1.00 0.86 C ATOM 569 CD2 LEU A 37 0.976 4.341 -43.211 1.00 0.94 C ATOM 0 H LEU A 37 3.482 4.420 -40.256 1.00 0.50 H new ATOM 0 HA LEU A 37 3.444 3.290 -42.882 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.570 6.157 -41.866 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.306 5.712 -43.540 1.00 0.57 H new ATOM 0 HG LEU A 37 1.471 4.979 -41.237 1.00 0.70 H new ATOM 0 HD11 LEU A 37 -0.061 6.640 -42.216 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.463 7.385 -41.680 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.184 7.078 -43.410 1.00 0.86 H new ATOM 0 HD21 LEU A 37 -0.096 4.307 -43.016 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.148 4.660 -44.239 1.00 0.94 H new ATOM 0 HD23 LEU A 37 1.404 3.349 -43.062 1.00 0.94 H new ATOM 581 N LYS A 38 6.199 4.629 -41.780 1.00 0.47 N ATOM 582 CA LYS A 38 7.620 4.858 -42.040 1.00 0.52 C ATOM 583 C LYS A 38 7.828 5.965 -43.075 1.00 0.47 C ATOM 584 O LYS A 38 8.247 5.706 -44.207 1.00 0.54 O ATOM 585 CB LYS A 38 8.308 3.571 -42.504 1.00 0.70 C ATOM 586 CG LYS A 38 8.215 2.431 -41.502 1.00 1.32 C ATOM 587 CD LYS A 38 8.774 1.138 -42.077 1.00 1.93 C ATOM 588 CE LYS A 38 8.005 0.696 -43.314 1.00 2.67 C ATOM 589 NZ LYS A 38 6.568 0.439 -43.017 1.00 3.36 N ATOM 0 H LYS A 38 5.925 4.798 -40.812 1.00 0.47 H new ATOM 0 HA LYS A 38 8.072 5.178 -41.101 1.00 0.52 H new ATOM 0 HB2 LYS A 38 7.863 3.251 -43.446 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.359 3.783 -42.703 1.00 0.70 H new ATOM 0 HG2 LYS A 38 8.762 2.695 -40.597 1.00 1.32 H new ATOM 0 HG3 LYS A 38 7.174 2.282 -41.213 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.825 1.277 -42.331 1.00 1.93 H new ATOM 0 HD3 LYS A 38 8.730 0.354 -41.321 1.00 1.93 H new ATOM 0 HE2 LYS A 38 8.084 1.464 -44.083 1.00 2.67 H new ATOM 0 HE3 LYS A 38 8.459 -0.209 -43.719 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 6.101 0.060 -43.865 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 6.492 -0.250 -42.242 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 6.107 1.328 -42.736 1.00 3.36 H new ATOM 603 N PRO A 39 7.500 7.215 -42.721 1.00 0.46 N ATOM 604 CA PRO A 39 7.777 8.360 -43.561 1.00 0.47 C ATOM 605 C PRO A 39 9.145 8.968 -43.259 1.00 0.51 C ATOM 606 O PRO A 39 9.455 9.286 -42.111 1.00 0.63 O ATOM 607 CB PRO A 39 6.656 9.328 -43.190 1.00 0.50 C ATOM 608 CG PRO A 39 6.312 9.011 -41.768 1.00 0.54 C ATOM 609 CD PRO A 39 6.815 7.615 -41.479 1.00 0.52 C ATOM 0 HA PRO A 39 7.808 8.110 -44.621 1.00 0.47 H new ATOM 0 HB2 PRO A 39 6.980 10.363 -43.294 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.792 9.197 -43.842 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.772 9.732 -41.092 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.235 9.070 -41.612 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.495 7.605 -40.628 1.00 0.52 H new ATOM 0 HD3 PRO A 39 5.995 6.938 -41.240 1.00 0.52 H new ATOM 617 N THR A 40 9.962 9.127 -44.292 1.00 0.52 N ATOM 618 CA THR A 40 11.273 9.736 -44.135 1.00 0.61 C ATOM 619 C THR A 40 11.129 11.191 -43.703 1.00 0.62 C ATOM 620 O THR A 40 12.013 11.758 -43.064 1.00 0.73 O ATOM 621 CB THR A 40 12.089 9.645 -45.439 1.00 0.67 C ATOM 622 OG1 THR A 40 11.265 9.994 -46.561 1.00 0.70 O ATOM 623 CG2 THR A 40 12.647 8.242 -45.631 1.00 0.71 C ATOM 0 H THR A 40 9.739 8.843 -45.246 1.00 0.52 H new ATOM 0 HA THR A 40 11.811 9.187 -43.362 1.00 0.61 H new ATOM 0 HB THR A 40 12.922 10.345 -45.369 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.792 9.935 -47.385 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.219 8.202 -46.558 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.296 7.991 -44.792 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.825 7.527 -45.681 1.00 0.71 H new ATOM 631 N PHE A 41 9.997 11.782 -44.064 1.00 0.54 N ATOM 632 CA PHE A 41 9.647 13.116 -43.619 1.00 0.55 C ATOM 633 C PHE A 41 8.150 13.176 -43.333 1.00 0.48 C ATOM 634 O PHE A 41 7.351 12.584 -44.060 1.00 0.45 O ATOM 635 CB PHE A 41 10.035 14.163 -44.669 1.00 0.57 C ATOM 636 CG PHE A 41 9.804 15.578 -44.220 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.671 16.186 -43.327 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.718 16.302 -44.690 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.460 17.485 -42.908 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.503 17.601 -44.275 1.00 0.70 C ATOM 641 CZ PHE A 41 9.375 18.194 -43.383 1.00 0.75 C ATOM 0 H PHE A 41 9.301 11.349 -44.671 1.00 0.54 H new ATOM 0 HA PHE A 41 10.199 13.341 -42.706 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.088 14.038 -44.923 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.464 13.982 -45.579 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.523 15.637 -42.954 1.00 0.69 H new ATOM 0 HD2 PHE A 41 8.033 15.844 -45.388 1.00 0.62 H new ATOM 0 HE1 PHE A 41 11.143 17.946 -42.210 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.653 18.153 -44.648 1.00 0.70 H new ATOM 0 HZ PHE A 41 9.208 19.210 -43.058 1.00 0.75 H new ATOM 651 N LEU A 42 7.781 13.869 -42.268 1.00 0.50 N ATOM 652 CA LEU A 42 6.382 14.022 -41.896 1.00 0.48 C ATOM 653 C LEU A 42 6.164 15.433 -41.366 1.00 0.54 C ATOM 654 O LEU A 42 6.639 15.773 -40.281 1.00 0.64 O ATOM 655 CB LEU A 42 6.005 12.970 -40.837 1.00 0.53 C ATOM 656 CG LEU A 42 4.511 12.626 -40.709 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.705 13.799 -40.173 1.00 1.03 C ATOM 658 CD2 LEU A 42 3.958 12.169 -42.050 1.00 1.55 C ATOM 0 H LEU A 42 8.435 14.338 -41.641 1.00 0.50 H new ATOM 0 HA LEU A 42 5.743 13.868 -42.766 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.548 12.052 -41.061 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.358 13.321 -39.867 1.00 0.53 H new ATOM 0 HG LEU A 42 4.420 11.811 -39.990 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.655 13.515 -40.098 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.078 14.076 -39.187 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.804 14.648 -40.850 1.00 1.03 H new ATOM 0 HD21 LEU A 42 2.900 11.929 -41.945 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.078 12.966 -42.784 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.499 11.284 -42.384 1.00 1.55 H new ATOM 670 N GLU A 43 5.472 16.255 -42.144 1.00 0.57 N ATOM 671 CA GLU A 43 5.221 17.640 -41.762 1.00 0.69 C ATOM 672 C GLU A 43 3.816 17.780 -41.197 1.00 0.60 C ATOM 673 O GLU A 43 2.872 17.171 -41.701 1.00 0.53 O ATOM 674 CB GLU A 43 5.385 18.569 -42.965 1.00 0.82 C ATOM 675 CG GLU A 43 5.394 20.044 -42.600 1.00 1.00 C ATOM 676 CD GLU A 43 5.285 20.946 -43.811 1.00 1.62 C ATOM 677 OE1 GLU A 43 6.235 20.990 -44.619 1.00 2.23 O ATOM 678 OE2 GLU A 43 4.250 21.625 -43.956 1.00 2.19 O ATOM 0 H GLU A 43 5.074 15.987 -43.044 1.00 0.57 H new ATOM 0 HA GLU A 43 5.947 17.921 -40.999 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.316 18.325 -43.477 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.575 18.383 -43.670 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.566 20.251 -41.922 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.313 20.275 -42.061 1.00 1.00 H new ATOM 685 N LEU A 44 3.677 18.583 -40.154 1.00 0.67 N ATOM 686 CA LEU A 44 2.381 18.784 -39.526 1.00 0.65 C ATOM 687 C LEU A 44 1.833 20.167 -39.845 1.00 0.64 C ATOM 688 O LEU A 44 2.461 21.184 -39.548 1.00 0.77 O ATOM 689 CB LEU A 44 2.461 18.600 -38.003 1.00 0.82 C ATOM 690 CG LEU A 44 2.672 17.161 -37.506 1.00 0.97 C ATOM 691 CD1 LEU A 44 1.678 16.211 -38.158 1.00 1.27 C ATOM 692 CD2 LEU A 44 4.104 16.700 -37.743 1.00 1.72 C ATOM 0 H LEU A 44 4.442 19.104 -39.726 1.00 0.67 H new ATOM 0 HA LEU A 44 1.706 18.030 -39.931 1.00 0.65 H new ATOM 0 HB2 LEU A 44 3.277 19.216 -37.625 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.541 18.984 -37.562 1.00 0.82 H new ATOM 0 HG LEU A 44 2.494 17.150 -36.431 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.847 15.199 -37.790 1.00 1.27 H new ATOM 0 HD12 LEU A 44 0.663 16.522 -37.912 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.811 16.231 -39.240 1.00 1.27 H new ATOM 0 HD21 LEU A 44 4.222 15.679 -37.381 1.00 1.72 H new ATOM 0 HD22 LEU A 44 4.326 16.735 -38.810 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.791 17.356 -37.208 1.00 1.72 H new ATOM 704 N VAL A 45 0.674 20.196 -40.473 1.00 0.57 N ATOM 705 CA VAL A 45 -0.048 21.433 -40.708 1.00 0.63 C ATOM 706 C VAL A 45 -1.292 21.451 -39.831 1.00 0.60 C ATOM 707 O VAL A 45 -2.084 20.505 -39.853 1.00 0.56 O ATOM 708 CB VAL A 45 -0.473 21.585 -42.189 1.00 0.73 C ATOM 709 CG1 VAL A 45 -1.124 22.939 -42.428 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.716 21.388 -43.119 1.00 0.90 C ATOM 0 H VAL A 45 0.206 19.365 -40.835 1.00 0.57 H new ATOM 0 HA VAL A 45 0.616 22.262 -40.464 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.207 20.810 -42.410 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -1.414 23.023 -43.475 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -2.008 23.034 -41.798 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.417 23.731 -42.183 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.391 21.500 -44.153 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.480 22.133 -42.896 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.130 20.390 -42.974 1.00 0.90 H new ATOM 720 N ASP A 46 -1.451 22.499 -39.037 1.00 0.76 N ATOM 721 CA ASP A 46 -2.618 22.607 -38.176 1.00 0.83 C ATOM 722 C ASP A 46 -3.858 22.855 -39.015 1.00 0.80 C ATOM 723 O ASP A 46 -3.992 23.898 -39.656 1.00 0.99 O ATOM 724 CB ASP A 46 -2.450 23.726 -37.151 1.00 1.16 C ATOM 725 CG ASP A 46 -3.598 23.757 -36.165 1.00 1.38 C ATOM 726 OD1 ASP A 46 -3.597 22.933 -35.224 1.00 1.83 O ATOM 727 OD2 ASP A 46 -4.510 24.594 -36.333 1.00 1.57 O ATOM 0 H ASP A 46 -0.795 23.278 -38.971 1.00 0.76 H new ATOM 0 HA ASP A 46 -2.727 21.667 -37.635 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -1.512 23.590 -36.613 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.386 24.685 -37.666 1.00 1.16 H new ATOM 732 N LYS A 47 -4.756 21.887 -39.025 1.00 0.81 N ATOM 733 CA LYS A 47 -5.943 21.974 -39.849 1.00 1.03 C ATOM 734 C LYS A 47 -7.087 22.599 -39.066 1.00 1.12 C ATOM 735 O LYS A 47 -7.955 21.895 -38.547 1.00 1.66 O ATOM 736 CB LYS A 47 -6.346 20.587 -40.355 1.00 1.36 C ATOM 737 CG LYS A 47 -6.707 20.542 -41.831 1.00 1.85 C ATOM 738 CD LYS A 47 -7.857 21.476 -42.171 1.00 2.14 C ATOM 739 CE LYS A 47 -8.192 21.417 -43.653 1.00 2.34 C ATOM 740 NZ LYS A 47 -7.005 21.701 -44.503 1.00 2.76 N ATOM 0 H LYS A 47 -4.684 21.033 -38.472 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.720 22.607 -40.708 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.525 19.893 -40.172 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.198 20.234 -39.773 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -5.834 20.813 -42.425 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.976 19.522 -42.106 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -8.735 21.204 -41.586 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -7.594 22.497 -41.895 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -8.585 20.430 -43.897 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -8.979 22.138 -43.876 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -7.309 22.175 -45.377 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -6.347 22.318 -43.986 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.527 20.809 -44.741 1.00 2.76 H new ATOM 754 N SER A 48 -7.060 23.917 -38.947 1.00 1.40 N ATOM 755 CA SER A 48 -8.156 24.639 -38.330 1.00 1.68 C ATOM 756 C SER A 48 -9.385 24.568 -39.230 1.00 1.52 C ATOM 757 O SER A 48 -9.565 25.392 -40.125 1.00 1.97 O ATOM 758 CB SER A 48 -7.762 26.095 -38.072 1.00 2.50 C ATOM 759 OG SER A 48 -6.595 26.180 -37.268 1.00 3.20 O ATOM 0 H SER A 48 -6.292 24.506 -39.269 1.00 1.40 H new ATOM 0 HA SER A 48 -8.391 24.178 -37.371 1.00 1.68 H new ATOM 0 HB2 SER A 48 -7.589 26.601 -39.022 1.00 2.50 H new ATOM 0 HB3 SER A 48 -8.584 26.614 -37.579 1.00 2.50 H new ATOM 0 HG SER A 48 -6.240 25.280 -37.110 1.00 3.20 H new ATOM 765 N CYS A 49 -10.204 23.549 -39.015 1.00 2.02 N ATOM 766 CA CYS A 49 -11.370 23.323 -39.850 1.00 2.76 C ATOM 767 C CYS A 49 -12.626 23.856 -39.166 1.00 2.78 C ATOM 768 O CYS A 49 -13.739 23.697 -39.670 1.00 3.32 O ATOM 769 CB CYS A 49 -11.515 21.830 -40.162 1.00 3.84 C ATOM 770 SG CYS A 49 -12.625 21.464 -41.542 1.00 4.74 S ATOM 0 H CYS A 49 -10.081 22.866 -38.268 1.00 2.02 H new ATOM 0 HA CYS A 49 -11.239 23.861 -40.789 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -10.530 21.420 -40.384 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -11.880 21.318 -39.272 1.00 3.84 H new ATOM 0 HG CYS A 49 -13.669 22.236 -41.476 1.00 4.74 H new ATOM 776 N GLY A 50 -12.443 24.470 -38.003 1.00 2.67 N ATOM 777 CA GLY A 50 -13.550 25.101 -37.309 1.00 2.93 C ATOM 778 C GLY A 50 -14.410 24.115 -36.543 1.00 2.80 C ATOM 779 O GLY A 50 -14.685 24.315 -35.360 1.00 3.16 O ATOM 0 H GLY A 50 -11.544 24.542 -37.527 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -13.160 25.848 -36.617 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -14.170 25.630 -38.032 1.00 2.93 H new ATOM 783 N CYS A 51 -14.839 23.058 -37.223 1.00 2.72 N ATOM 784 CA CYS A 51 -15.694 22.039 -36.626 1.00 2.86 C ATOM 785 C CYS A 51 -15.060 21.468 -35.357 1.00 2.48 C ATOM 786 O CYS A 51 -15.641 21.547 -34.273 1.00 3.01 O ATOM 787 CB CYS A 51 -15.947 20.920 -37.638 1.00 3.50 C ATOM 788 SG CYS A 51 -16.519 21.510 -39.250 1.00 4.36 S ATOM 0 H CYS A 51 -14.605 22.884 -38.200 1.00 2.72 H new ATOM 0 HA CYS A 51 -16.643 22.500 -36.352 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -15.027 20.352 -37.775 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -16.688 20.233 -37.229 1.00 3.50 H new ATOM 0 HG CYS A 51 -16.705 20.496 -40.042 1.00 4.36 H new ATOM 794 N GLY A 52 -13.856 20.925 -35.496 1.00 2.09 N ATOM 795 CA GLY A 52 -13.167 20.338 -34.365 1.00 2.20 C ATOM 796 C GLY A 52 -11.700 20.118 -34.660 1.00 1.68 C ATOM 797 O GLY A 52 -11.230 20.475 -35.744 1.00 2.26 O ATOM 0 H GLY A 52 -13.344 20.881 -36.377 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -13.271 20.989 -33.497 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -13.634 19.387 -34.107 1.00 2.20 H new ATOM 801 N THR A 53 -10.984 19.527 -33.707 1.00 1.51 N ATOM 802 CA THR A 53 -9.555 19.288 -33.859 1.00 1.81 C ATOM 803 C THR A 53 -9.265 18.458 -35.111 1.00 1.47 C ATOM 804 O THR A 53 -9.794 17.354 -35.297 1.00 1.48 O ATOM 805 CB THR A 53 -8.953 18.605 -32.604 1.00 2.71 C ATOM 806 OG1 THR A 53 -7.549 18.389 -32.783 1.00 3.27 O ATOM 807 CG2 THR A 53 -9.639 17.279 -32.298 1.00 3.46 C ATOM 0 H THR A 53 -11.373 19.205 -32.821 1.00 1.51 H new ATOM 0 HA THR A 53 -9.076 20.261 -33.972 1.00 1.81 H new ATOM 0 HB THR A 53 -9.117 19.274 -31.759 1.00 2.71 H new ATOM 0 HG1 THR A 53 -7.180 17.959 -31.984 1.00 3.27 H new ATOM 0 HG21 THR A 53 -9.188 16.832 -31.412 1.00 3.46 H new ATOM 0 HG22 THR A 53 -10.700 17.451 -32.118 1.00 3.46 H new ATOM 0 HG23 THR A 53 -9.520 16.604 -33.145 1.00 3.46 H new ATOM 815 N SER A 54 -8.449 19.018 -35.990 1.00 1.25 N ATOM 816 CA SER A 54 -8.107 18.372 -37.239 1.00 1.00 C ATOM 817 C SER A 54 -6.641 18.632 -37.571 1.00 0.82 C ATOM 818 O SER A 54 -6.076 19.653 -37.166 1.00 0.89 O ATOM 819 CB SER A 54 -9.012 18.895 -38.357 1.00 1.14 C ATOM 820 OG SER A 54 -10.380 18.826 -37.979 1.00 1.71 O ATOM 0 H SER A 54 -8.009 19.928 -35.855 1.00 1.25 H new ATOM 0 HA SER A 54 -8.257 17.297 -37.144 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.747 19.926 -38.592 1.00 1.14 H new ATOM 0 HB3 SER A 54 -8.851 18.311 -39.263 1.00 1.14 H new ATOM 0 HG SER A 54 -10.561 19.491 -37.282 1.00 1.71 H new ATOM 826 N PHE A 55 -6.024 17.712 -38.297 1.00 0.67 N ATOM 827 CA PHE A 55 -4.621 17.846 -38.661 1.00 0.60 C ATOM 828 C PHE A 55 -4.416 17.501 -40.128 1.00 0.52 C ATOM 829 O PHE A 55 -5.053 16.588 -40.651 1.00 0.50 O ATOM 830 CB PHE A 55 -3.743 16.937 -37.793 1.00 0.67 C ATOM 831 CG PHE A 55 -3.830 17.220 -36.319 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.241 18.353 -35.780 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.495 16.348 -35.472 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.316 18.610 -34.424 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.574 16.601 -34.117 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.984 17.733 -33.591 1.00 1.15 C ATOM 0 H PHE A 55 -6.472 16.865 -38.646 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.330 18.883 -38.492 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.028 15.900 -37.970 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.706 17.042 -38.111 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.718 19.042 -36.426 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -4.957 15.460 -35.877 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.853 19.496 -34.016 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.097 15.914 -33.469 1.00 1.15 H new ATOM 0 HZ PHE A 55 -4.044 17.932 -32.531 1.00 1.15 H new ATOM 846 N ASP A 56 -3.543 18.249 -40.788 1.00 0.51 N ATOM 847 CA ASP A 56 -3.159 17.960 -42.164 1.00 0.52 C ATOM 848 C ASP A 56 -1.698 17.533 -42.177 1.00 0.50 C ATOM 849 O ASP A 56 -0.809 18.348 -41.950 1.00 0.55 O ATOM 850 CB ASP A 56 -3.345 19.202 -43.050 1.00 0.58 C ATOM 851 CG ASP A 56 -4.212 18.943 -44.272 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.902 18.022 -45.056 1.00 1.23 O ATOM 853 OD2 ASP A 56 -5.217 19.669 -44.457 1.00 1.35 O ATOM 0 H ASP A 56 -3.083 19.068 -40.389 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.790 17.164 -42.558 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -3.793 19.999 -42.457 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.367 19.558 -43.375 1.00 0.58 H new ATOM 858 N ALA A 57 -1.443 16.260 -42.414 1.00 0.48 N ATOM 859 CA ALA A 57 -0.089 15.735 -42.312 1.00 0.48 C ATOM 860 C ALA A 57 0.512 15.471 -43.684 1.00 0.44 C ATOM 861 O ALA A 57 -0.002 14.659 -44.457 1.00 0.46 O ATOM 862 CB ALA A 57 -0.076 14.465 -41.481 1.00 0.51 C ATOM 0 H ALA A 57 -2.149 15.572 -42.677 1.00 0.48 H new ATOM 0 HA ALA A 57 0.523 16.490 -41.818 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.943 14.085 -41.414 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.449 14.681 -40.480 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.713 13.716 -41.952 1.00 0.51 H new ATOM 868 N VAL A 58 1.599 16.160 -43.987 1.00 0.42 N ATOM 869 CA VAL A 58 2.303 15.967 -45.243 1.00 0.41 C ATOM 870 C VAL A 58 3.249 14.783 -45.119 1.00 0.39 C ATOM 871 O VAL A 58 4.228 14.838 -44.371 1.00 0.41 O ATOM 872 CB VAL A 58 3.116 17.215 -45.645 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.721 17.039 -47.031 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.257 18.471 -45.585 1.00 0.55 C ATOM 0 H VAL A 58 2.015 16.863 -43.376 1.00 0.42 H new ATOM 0 HA VAL A 58 1.555 15.783 -46.014 1.00 0.41 H new ATOM 0 HB VAL A 58 3.930 17.332 -44.929 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.290 17.930 -47.295 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.382 16.173 -47.032 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.924 16.888 -47.759 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.855 19.335 -45.873 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.415 18.369 -46.269 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.885 18.609 -44.570 1.00 0.55 H new ATOM 884 N ILE A 59 2.955 13.714 -45.842 1.00 0.38 N ATOM 885 CA ILE A 59 3.757 12.511 -45.750 1.00 0.40 C ATOM 886 C ILE A 59 4.783 12.464 -46.868 1.00 0.44 C ATOM 887 O ILE A 59 4.537 12.934 -47.979 1.00 0.65 O ATOM 888 CB ILE A 59 2.908 11.215 -45.795 1.00 0.49 C ATOM 889 CG1 ILE A 59 2.555 10.834 -47.236 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.636 11.389 -44.980 1.00 0.77 C ATOM 891 CD1 ILE A 59 2.243 9.366 -47.407 1.00 0.80 C ATOM 0 H ILE A 59 2.172 13.657 -46.494 1.00 0.38 H new ATOM 0 HA ILE A 59 4.254 12.554 -44.781 1.00 0.40 H new ATOM 0 HB ILE A 59 3.503 10.410 -45.364 1.00 0.49 H new ATOM 0 HG12 ILE A 59 1.695 11.421 -47.559 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.386 11.100 -47.889 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.049 10.471 -45.021 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.895 11.609 -43.944 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.051 12.212 -45.390 1.00 0.77 H new ATOM 0 HD11 ILE A 59 2.001 9.165 -48.451 1.00 0.80 H new ATOM 0 HD12 ILE A 59 3.110 8.773 -47.114 1.00 0.80 H new ATOM 0 HD13 ILE A 59 1.392 9.099 -46.780 1.00 0.80 H new ATOM 903 N VAL A 60 5.937 11.916 -46.550 1.00 0.39 N ATOM 904 CA VAL A 60 6.991 11.689 -47.520 1.00 0.42 C ATOM 905 C VAL A 60 7.584 10.316 -47.257 1.00 0.40 C ATOM 906 O VAL A 60 8.413 10.158 -46.360 1.00 0.44 O ATOM 907 CB VAL A 60 8.104 12.762 -47.426 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.194 12.508 -48.452 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.531 14.163 -47.599 1.00 0.58 C ATOM 0 H VAL A 60 6.173 11.613 -45.605 1.00 0.39 H new ATOM 0 HA VAL A 60 6.567 11.750 -48.522 1.00 0.42 H new ATOM 0 HB VAL A 60 8.545 12.692 -46.432 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.963 13.276 -48.364 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.638 11.528 -48.276 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.765 12.537 -49.454 1.00 0.58 H new ATOM 0 HG21 VAL A 60 8.335 14.896 -47.528 1.00 0.58 H new ATOM 0 HG22 VAL A 60 7.052 14.242 -48.575 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.796 14.354 -46.817 1.00 0.58 H new ATOM 919 N SER A 61 7.143 9.313 -48.002 1.00 0.39 N ATOM 920 CA SER A 61 7.514 7.941 -47.677 1.00 0.42 C ATOM 921 C SER A 61 7.712 7.069 -48.910 1.00 0.42 C ATOM 922 O SER A 61 7.107 7.290 -49.958 1.00 0.43 O ATOM 923 CB SER A 61 6.448 7.317 -46.770 1.00 0.45 C ATOM 924 OG SER A 61 6.741 5.959 -46.488 1.00 0.84 O ATOM 0 H SER A 61 6.541 9.417 -48.819 1.00 0.39 H new ATOM 0 HA SER A 61 8.473 7.986 -47.162 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.387 7.879 -45.838 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.472 7.388 -47.250 1.00 0.45 H new ATOM 0 HG SER A 61 7.168 5.892 -45.608 1.00 0.84 H new ATOM 930 N ASN A 62 8.593 6.076 -48.759 1.00 0.51 N ATOM 931 CA ASN A 62 8.813 5.041 -49.771 1.00 0.57 C ATOM 932 C ASN A 62 7.583 4.150 -49.914 1.00 0.56 C ATOM 933 O ASN A 62 7.420 3.454 -50.910 1.00 0.59 O ATOM 934 CB ASN A 62 10.017 4.165 -49.391 1.00 0.75 C ATOM 935 CG ASN A 62 11.363 4.825 -49.633 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.371 4.142 -49.829 1.00 1.67 O ATOM 937 ND2 ASN A 62 11.401 6.148 -49.629 1.00 0.76 N ATOM 0 H ASN A 62 9.175 5.968 -47.928 1.00 0.51 H new ATOM 0 HA ASN A 62 9.007 5.543 -50.719 1.00 0.57 H new ATOM 0 HB2 ASN A 62 9.940 3.897 -48.337 1.00 0.75 H new ATOM 0 HB3 ASN A 62 9.972 3.237 -49.960 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.283 6.633 -49.791 1.00 0.76 H new ATOM 0 HD22 ASN A 62 10.548 6.682 -49.464 1.00 0.76 H new ATOM 944 N ASN A 63 6.725 4.169 -48.901 1.00 0.57 N ATOM 945 CA ASN A 63 5.586 3.254 -48.829 1.00 0.66 C ATOM 946 C ASN A 63 4.694 3.338 -50.071 1.00 0.67 C ATOM 947 O ASN A 63 4.124 2.336 -50.498 1.00 0.86 O ATOM 948 CB ASN A 63 4.755 3.549 -47.576 1.00 0.73 C ATOM 949 CG ASN A 63 3.744 2.457 -47.280 1.00 1.03 C ATOM 950 OD1 ASN A 63 3.976 1.286 -47.565 1.00 1.81 O ATOM 951 ND2 ASN A 63 2.620 2.831 -46.691 1.00 1.00 N ATOM 0 H ASN A 63 6.795 4.812 -48.112 1.00 0.57 H new ATOM 0 HA ASN A 63 5.987 2.242 -48.780 1.00 0.66 H new ATOM 0 HB2 ASN A 63 5.421 3.665 -46.721 1.00 0.73 H new ATOM 0 HB3 ASN A 63 4.234 4.498 -47.705 1.00 0.73 H new ATOM 0 HD21 ASN A 63 1.910 2.136 -46.458 1.00 1.00 H new ATOM 0 HD22 ASN A 63 2.463 3.814 -46.470 1.00 1.00 H new ATOM 958 N PHE A 64 4.587 4.521 -50.664 1.00 0.60 N ATOM 959 CA PHE A 64 3.652 4.725 -51.763 1.00 0.67 C ATOM 960 C PHE A 64 4.359 4.780 -53.122 1.00 0.60 C ATOM 961 O PHE A 64 3.705 4.856 -54.163 1.00 0.65 O ATOM 962 CB PHE A 64 2.838 6.004 -51.530 1.00 0.80 C ATOM 963 CG PHE A 64 1.702 6.182 -52.502 1.00 1.48 C ATOM 964 CD1 PHE A 64 0.725 5.206 -52.626 1.00 1.84 C ATOM 965 CD2 PHE A 64 1.618 7.314 -53.297 1.00 2.11 C ATOM 966 CE1 PHE A 64 -0.314 5.357 -53.522 1.00 2.66 C ATOM 967 CE2 PHE A 64 0.579 7.470 -54.198 1.00 2.95 C ATOM 968 CZ PHE A 64 -0.388 6.490 -54.310 1.00 3.19 C ATOM 0 H PHE A 64 5.130 5.345 -50.406 1.00 0.60 H new ATOM 0 HA PHE A 64 2.980 3.867 -51.786 1.00 0.67 H new ATOM 0 HB2 PHE A 64 2.438 5.991 -50.516 1.00 0.80 H new ATOM 0 HB3 PHE A 64 3.503 6.865 -51.599 1.00 0.80 H new ATOM 0 HD1 PHE A 64 0.778 4.317 -52.014 1.00 1.84 H new ATOM 0 HD2 PHE A 64 2.372 8.083 -53.213 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -1.069 4.590 -53.607 1.00 2.66 H new ATOM 0 HE2 PHE A 64 0.524 8.356 -54.812 1.00 2.95 H new ATOM 0 HZ PHE A 64 -1.200 6.609 -55.012 1.00 3.19 H new ATOM 978 N GLU A 65 5.687 4.704 -53.130 1.00 0.58 N ATOM 979 CA GLU A 65 6.429 4.805 -54.389 1.00 0.61 C ATOM 980 C GLU A 65 6.347 3.501 -55.184 1.00 0.65 C ATOM 981 O GLU A 65 6.917 3.388 -56.270 1.00 0.75 O ATOM 982 CB GLU A 65 7.897 5.181 -54.155 1.00 0.71 C ATOM 983 CG GLU A 65 8.701 4.114 -53.438 1.00 0.87 C ATOM 984 CD GLU A 65 10.187 4.390 -53.457 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.617 5.407 -52.879 1.00 2.11 O ATOM 986 OE2 GLU A 65 10.929 3.597 -54.072 1.00 2.14 O ATOM 0 H GLU A 65 6.264 4.576 -52.299 1.00 0.58 H new ATOM 0 HA GLU A 65 5.961 5.601 -54.968 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.366 5.389 -55.117 1.00 0.71 H new ATOM 0 HB3 GLU A 65 7.937 6.103 -53.575 1.00 0.71 H new ATOM 0 HG2 GLU A 65 8.362 4.043 -52.404 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.510 3.147 -53.903 1.00 0.87 H new ATOM 993 N ASP A 66 5.639 2.520 -54.640 1.00 0.69 N ATOM 994 CA ASP A 66 5.437 1.250 -55.332 1.00 0.84 C ATOM 995 C ASP A 66 4.187 1.324 -56.210 1.00 0.80 C ATOM 996 O ASP A 66 3.911 0.420 -57.001 1.00 0.93 O ATOM 997 CB ASP A 66 5.318 0.105 -54.326 1.00 1.00 C ATOM 998 CG ASP A 66 5.314 -1.251 -55.002 1.00 1.40 C ATOM 999 OD1 ASP A 66 6.387 -1.692 -55.461 1.00 2.03 O ATOM 1000 OD2 ASP A 66 4.238 -1.874 -55.086 1.00 1.94 O ATOM 0 H ASP A 66 5.195 2.577 -53.723 1.00 0.69 H new ATOM 0 HA ASP A 66 6.301 1.057 -55.968 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.148 0.155 -53.621 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.401 0.224 -53.749 1.00 1.00 H new ATOM 1005 N LYS A 67 3.438 2.420 -56.045 1.00 0.78 N ATOM 1006 CA LYS A 67 2.264 2.737 -56.872 1.00 0.88 C ATOM 1007 C LYS A 67 1.024 1.920 -56.486 1.00 0.78 C ATOM 1008 O LYS A 67 -0.085 2.244 -56.918 1.00 0.86 O ATOM 1009 CB LYS A 67 2.565 2.561 -58.370 1.00 1.17 C ATOM 1010 CG LYS A 67 3.744 3.387 -58.873 1.00 1.67 C ATOM 1011 CD LYS A 67 3.502 4.885 -58.735 1.00 2.00 C ATOM 1012 CE LYS A 67 2.362 5.360 -59.623 1.00 2.46 C ATOM 1013 NZ LYS A 67 2.200 6.838 -59.569 1.00 3.31 N ATOM 0 H LYS A 67 3.630 3.119 -55.328 1.00 0.78 H new ATOM 0 HA LYS A 67 2.038 3.785 -56.677 1.00 0.88 H new ATOM 0 HB2 LYS A 67 2.763 1.508 -58.568 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.677 2.831 -58.942 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.640 3.113 -58.316 1.00 1.67 H new ATOM 0 HG3 LYS A 67 3.933 3.147 -59.919 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.275 5.122 -57.695 1.00 2.00 H new ATOM 0 HD3 LYS A 67 4.413 5.425 -58.994 1.00 2.00 H new ATOM 0 HE2 LYS A 67 2.550 5.052 -60.652 1.00 2.46 H new ATOM 0 HE3 LYS A 67 1.434 4.881 -59.311 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 1.414 7.124 -60.187 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 1.996 7.129 -58.592 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.077 7.295 -59.891 1.00 3.31 H new ATOM 1027 N LYS A 68 1.198 0.863 -55.692 1.00 0.83 N ATOM 1028 CA LYS A 68 0.063 0.072 -55.226 1.00 0.90 C ATOM 1029 C LYS A 68 -0.742 0.836 -54.180 1.00 0.82 C ATOM 1030 O LYS A 68 -0.273 1.068 -53.064 1.00 0.87 O ATOM 1031 CB LYS A 68 0.520 -1.263 -54.649 1.00 1.16 C ATOM 1032 CG LYS A 68 1.173 -2.173 -55.669 1.00 1.35 C ATOM 1033 CD LYS A 68 1.014 -3.632 -55.280 1.00 1.37 C ATOM 1034 CE LYS A 68 1.712 -3.966 -53.967 1.00 1.55 C ATOM 1035 NZ LYS A 68 3.187 -4.039 -54.117 1.00 1.99 N ATOM 0 H LYS A 68 2.107 0.538 -55.361 1.00 0.83 H new ATOM 0 HA LYS A 68 -0.574 -0.122 -56.089 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.224 -1.077 -53.838 1.00 1.16 H new ATOM 0 HB3 LYS A 68 -0.339 -1.775 -54.215 1.00 1.16 H new ATOM 0 HG2 LYS A 68 0.728 -2.004 -56.650 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.232 -1.929 -55.753 1.00 1.35 H new ATOM 0 HD2 LYS A 68 -0.047 -3.868 -55.194 1.00 1.37 H new ATOM 0 HD3 LYS A 68 1.418 -4.262 -56.073 1.00 1.37 H new ATOM 0 HE2 LYS A 68 1.462 -3.211 -53.222 1.00 1.55 H new ATOM 0 HE3 LYS A 68 1.339 -4.919 -53.592 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 3.598 -4.509 -53.285 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 3.423 -4.582 -54.972 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 3.576 -3.078 -54.199 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.955 1.214 -54.550 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.804 2.019 -53.686 1.00 0.91 C ATOM 1051 C LEU A 69 -3.372 1.200 -52.529 1.00 0.85 C ATOM 1052 O LEU A 69 -3.579 1.730 -51.435 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.928 2.687 -54.500 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.887 1.751 -55.250 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.058 1.339 -54.366 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.391 2.417 -56.521 1.00 2.33 C ATOM 0 H LEU A 69 -2.376 0.975 -55.448 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.185 2.803 -53.250 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -4.517 3.306 -53.823 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.469 3.357 -55.227 1.00 1.16 H new ATOM 0 HG LEU A 69 -4.336 0.850 -55.520 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.720 0.677 -54.924 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.683 0.819 -53.485 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -6.610 2.226 -54.056 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -6.070 1.741 -57.041 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.919 3.336 -56.266 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -4.546 2.652 -57.168 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.603 -0.093 -52.756 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.246 -0.925 -51.741 1.00 0.91 C ATOM 1070 C LEU A 70 -3.362 -1.077 -50.506 1.00 0.79 C ATOM 1071 O LEU A 70 -3.868 -1.194 -49.388 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.702 -2.302 -52.309 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.653 -3.418 -52.571 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.467 -2.929 -53.386 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.191 -4.076 -51.275 1.00 1.07 C ATOM 0 H LEU A 70 -3.359 -0.580 -53.618 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.153 -0.408 -51.429 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.443 -2.708 -51.620 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.215 -2.111 -53.252 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.160 -4.174 -53.170 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.767 -3.750 -53.538 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.815 -2.565 -54.353 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -1.967 -2.120 -52.852 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.458 -4.851 -51.501 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.738 -3.326 -50.627 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.047 -4.523 -50.769 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.048 -1.055 -50.697 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.125 -1.229 -49.586 1.00 0.70 C ATOM 1089 C ASP A 71 -1.095 0.031 -48.733 1.00 0.63 C ATOM 1090 O ASP A 71 -1.016 -0.030 -47.510 1.00 0.63 O ATOM 1091 CB ASP A 71 0.274 -1.599 -50.071 1.00 0.77 C ATOM 1092 CG ASP A 71 1.000 -2.466 -49.059 1.00 1.25 C ATOM 1093 OD1 ASP A 71 0.648 -3.663 -48.943 1.00 1.58 O ATOM 1094 OD2 ASP A 71 1.918 -1.968 -48.379 1.00 2.08 O ATOM 0 H ASP A 71 -1.602 -0.919 -51.604 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.480 -2.058 -48.974 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.203 -2.128 -51.021 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.849 -0.691 -50.254 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.183 1.179 -49.392 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.286 2.449 -48.690 1.00 0.74 C ATOM 1101 C ARG A 72 -2.585 2.472 -47.897 1.00 0.67 C ATOM 1102 O ARG A 72 -2.610 2.858 -46.728 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.234 3.616 -49.691 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.188 5.001 -49.050 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.575 5.540 -48.713 1.00 1.53 C ATOM 1106 NE ARG A 72 -3.345 5.885 -49.910 1.00 1.92 N ATOM 1107 CZ ARG A 72 -4.210 6.900 -49.981 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -4.470 7.641 -48.910 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.833 7.157 -51.121 1.00 2.93 N ATOM 0 H ARG A 72 -1.185 1.256 -50.409 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.447 2.560 -48.004 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.356 3.494 -50.326 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -2.107 3.559 -50.341 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -0.589 4.956 -48.140 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -0.688 5.694 -49.727 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -3.121 4.794 -48.135 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -2.475 6.423 -48.081 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.212 5.313 -50.744 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.008 7.437 -48.024 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -5.132 8.414 -48.973 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.652 6.580 -51.943 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -5.494 7.932 -51.178 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.650 2.022 -48.544 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.977 2.003 -47.948 1.00 0.71 C ATOM 1125 C HIS A 73 -5.014 1.114 -46.705 1.00 0.62 C ATOM 1126 O HIS A 73 -5.477 1.537 -45.646 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.989 1.510 -48.986 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.421 1.675 -48.577 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.196 2.740 -48.979 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.225 0.893 -47.823 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.414 2.605 -48.491 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.455 1.492 -47.788 1.00 1.15 N ATOM 0 H HIS A 73 -3.618 1.660 -49.497 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.235 3.015 -47.636 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.826 2.048 -49.920 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.800 0.456 -49.188 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -7.949 -0.032 -47.339 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.236 3.289 -48.642 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.273 1.134 -47.296 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.513 -0.114 -46.837 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.543 -1.083 -45.739 1.00 0.59 C ATOM 1143 C ARG A 74 -3.738 -0.583 -44.538 1.00 0.51 C ATOM 1144 O ARG A 74 -4.145 -0.765 -43.390 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.014 -2.448 -46.211 1.00 0.68 C ATOM 1146 CG ARG A 74 -2.535 -2.446 -46.558 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.126 -3.668 -47.362 1.00 0.86 C ATOM 1148 NE ARG A 74 -2.205 -4.909 -46.599 1.00 0.88 N ATOM 1149 CZ ARG A 74 -1.494 -5.995 -46.899 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -0.562 -5.938 -47.847 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -1.674 -7.120 -46.220 1.00 1.32 N ATOM 0 H ARG A 74 -4.081 -0.462 -47.693 1.00 0.60 H new ATOM 0 HA ARG A 74 -5.580 -1.200 -45.423 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.193 -3.187 -45.430 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -4.582 -2.765 -47.085 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.299 -1.546 -47.126 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -1.949 -2.406 -45.640 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -2.766 -3.748 -48.241 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.106 -3.534 -47.721 1.00 0.86 H new ATOM 0 HE ARG A 74 -2.835 -4.947 -45.798 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -0.392 -5.063 -48.343 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -0.017 -6.769 -48.077 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -2.359 -7.156 -45.465 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -1.128 -7.949 -46.453 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.605 0.063 -44.802 1.00 0.47 N ATOM 1166 CA LEU A 75 -1.772 0.606 -43.734 1.00 0.46 C ATOM 1167 C LEU A 75 -2.482 1.753 -43.031 1.00 0.42 C ATOM 1168 O LEU A 75 -2.661 1.736 -41.813 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.419 1.081 -44.281 1.00 0.51 C ATOM 1170 CG LEU A 75 0.737 0.076 -44.174 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.998 -0.284 -42.719 1.00 1.48 C ATOM 1172 CD2 LEU A 75 0.454 -1.176 -44.988 1.00 1.36 C ATOM 0 H LEU A 75 -2.244 0.223 -45.743 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.592 -0.191 -43.012 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.547 1.348 -45.330 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.134 1.991 -43.752 1.00 0.51 H new ATOM 0 HG LEU A 75 1.630 0.548 -44.583 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.820 -0.997 -42.663 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.259 0.616 -42.163 1.00 1.48 H new ATOM 0 HD13 LEU A 75 0.101 -0.729 -42.288 1.00 1.48 H new ATOM 0 HD21 LEU A 75 1.290 -1.869 -44.893 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -0.455 -1.652 -44.620 1.00 1.36 H new ATOM 0 HD23 LEU A 75 0.324 -0.907 -46.036 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.910 2.739 -43.810 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.566 3.916 -43.259 1.00 0.50 C ATOM 1186 C VAL A 76 -4.820 3.535 -42.478 1.00 0.48 C ATOM 1187 O VAL A 76 -4.997 3.955 -41.341 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.929 4.935 -44.366 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.797 6.060 -43.820 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.667 5.504 -44.995 1.00 0.82 C ATOM 0 H VAL A 76 -2.814 2.746 -44.825 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.856 4.385 -42.577 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.501 4.409 -45.130 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.034 6.759 -44.622 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.720 5.644 -43.416 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.259 6.584 -43.030 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.938 6.219 -45.772 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.074 6.006 -44.231 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.083 4.695 -45.434 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.667 2.710 -43.073 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.924 2.332 -42.438 1.00 0.53 C ATOM 1202 C ASN A 77 -6.688 1.651 -41.097 1.00 0.49 C ATOM 1203 O ASN A 77 -7.290 2.029 -40.099 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.748 1.419 -43.348 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.518 2.181 -44.414 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -9.582 1.747 -44.852 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -7.989 3.316 -44.839 1.00 0.92 N ATOM 0 H ASN A 77 -5.510 2.290 -43.989 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.484 3.251 -42.263 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.084 0.701 -43.830 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.449 0.847 -42.741 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.466 3.864 -45.555 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.104 3.643 -44.451 1.00 0.92 H new ATOM 1214 N THR A 78 -5.785 0.680 -41.070 1.00 0.45 N ATOM 1215 CA THR A 78 -5.574 -0.139 -39.879 1.00 0.50 C ATOM 1216 C THR A 78 -5.090 0.678 -38.673 1.00 0.46 C ATOM 1217 O THR A 78 -5.711 0.642 -37.610 1.00 0.50 O ATOM 1218 CB THR A 78 -4.579 -1.281 -40.167 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.049 -2.058 -41.278 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.407 -2.184 -38.953 1.00 0.69 C ATOM 0 H THR A 78 -5.185 0.438 -41.859 1.00 0.45 H new ATOM 0 HA THR A 78 -6.546 -0.559 -39.621 1.00 0.50 H new ATOM 0 HB THR A 78 -3.611 -0.838 -40.403 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.755 -1.642 -42.115 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.699 -2.979 -39.188 1.00 0.69 H new ATOM 0 HG22 THR A 78 -4.029 -1.599 -38.115 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.369 -2.622 -38.686 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.999 1.421 -38.832 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.405 2.137 -37.701 1.00 0.45 C ATOM 1230 C ILE A 79 -4.082 3.495 -37.491 1.00 0.45 C ATOM 1231 O ILE A 79 -4.505 3.847 -36.372 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.875 2.336 -37.879 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.165 0.998 -38.099 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.273 3.037 -36.672 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -1.058 0.591 -39.550 1.00 0.77 C ATOM 0 H ILE A 79 -3.511 1.544 -39.719 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.567 1.518 -36.818 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.731 2.960 -38.761 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -0.163 1.056 -37.674 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.699 0.221 -37.553 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.201 3.164 -36.822 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -1.740 4.014 -36.548 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.446 2.436 -35.779 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.543 -0.367 -39.622 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -2.057 0.499 -39.977 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.497 1.347 -40.099 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.228 4.245 -38.575 1.00 0.45 N ATOM 1248 CA LEU A 80 -4.800 5.577 -38.488 1.00 0.52 C ATOM 1249 C LEU A 80 -6.279 5.507 -38.128 1.00 0.56 C ATOM 1250 O LEU A 80 -6.891 6.522 -37.833 1.00 0.63 O ATOM 1251 CB LEU A 80 -4.586 6.378 -39.780 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.152 6.880 -40.018 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.199 5.727 -40.303 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.125 7.882 -41.161 1.00 0.71 C ATOM 0 H LEU A 80 -3.960 3.955 -39.516 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.276 6.106 -37.691 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -4.879 5.756 -40.625 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -5.256 7.238 -39.769 1.00 0.56 H new ATOM 0 HG LEU A 80 -2.816 7.374 -39.106 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.194 6.117 -40.466 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.189 5.044 -39.453 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.530 5.193 -41.194 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.103 8.228 -41.317 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -3.490 7.406 -42.071 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -3.762 8.731 -40.915 1.00 0.71 H new ATOM 1266 N LYS A 81 -6.851 4.303 -38.163 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.150 4.064 -37.547 1.00 0.68 C ATOM 1268 C LYS A 81 -8.127 4.555 -36.106 1.00 0.68 C ATOM 1269 O LYS A 81 -8.906 5.422 -35.715 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.484 2.567 -37.576 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.664 2.172 -36.706 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.932 2.890 -37.121 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.079 2.567 -36.181 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.452 1.129 -36.220 1.00 1.93 N ATOM 0 H LYS A 81 -6.436 3.485 -38.609 1.00 0.57 H new ATOM 0 HA LYS A 81 -8.913 4.606 -38.106 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.692 2.273 -38.605 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.607 2.005 -37.255 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.818 1.095 -36.770 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.441 2.401 -35.664 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.757 3.966 -37.130 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.200 2.602 -38.138 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.800 2.840 -35.163 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.946 3.172 -36.447 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.331 0.984 -35.683 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -12.597 0.835 -37.207 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -11.690 0.561 -35.797 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.208 3.999 -35.333 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.047 4.365 -33.935 1.00 0.73 C ATOM 1290 C GLU A 82 -6.699 5.844 -33.801 1.00 0.67 C ATOM 1291 O GLU A 82 -7.141 6.508 -32.863 1.00 0.68 O ATOM 1292 CB GLU A 82 -5.955 3.522 -33.279 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.139 2.026 -33.455 1.00 1.53 C ATOM 1294 CD GLU A 82 -4.995 1.239 -32.855 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -3.850 1.386 -33.335 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -5.232 0.469 -31.898 1.00 2.91 O ATOM 0 H GLU A 82 -6.555 3.284 -35.655 1.00 0.69 H new ATOM 0 HA GLU A 82 -7.994 4.176 -33.430 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -4.989 3.810 -33.695 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.925 3.751 -32.214 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.075 1.719 -32.988 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.221 1.793 -34.517 1.00 1.53 H new ATOM 1303 N GLU A 83 -5.904 6.354 -34.743 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.617 7.797 -34.805 1.00 0.64 C ATOM 1305 C GLU A 83 -6.901 8.588 -34.813 1.00 0.55 C ATOM 1306 O GLU A 83 -7.135 9.469 -33.982 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.926 8.138 -36.105 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.454 7.866 -36.177 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.983 6.662 -35.385 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.100 6.666 -34.142 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.494 5.702 -36.001 1.00 1.66 O ATOM 0 H GLU A 83 -5.449 5.800 -35.469 1.00 0.64 H new ATOM 0 HA GLU A 83 -4.999 8.038 -33.940 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -5.414 7.582 -36.906 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.087 9.197 -36.308 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.177 7.725 -37.222 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -2.920 8.747 -35.821 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.717 8.237 -35.785 1.00 0.49 N ATOM 1319 CA LEU A 84 -9.030 8.859 -35.996 1.00 0.48 C ATOM 1320 C LEU A 84 -9.872 8.906 -34.721 1.00 0.52 C ATOM 1321 O LEU A 84 -10.693 9.800 -34.569 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.827 8.128 -37.083 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.185 8.088 -38.466 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.138 7.476 -39.479 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.752 9.477 -38.907 1.00 0.51 C ATOM 0 H LEU A 84 -7.496 7.507 -36.462 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.823 9.881 -36.312 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.999 7.103 -36.753 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.804 8.602 -37.171 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.295 7.462 -38.408 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.663 7.456 -40.460 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.388 6.459 -39.176 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.048 8.073 -39.529 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.298 9.420 -39.896 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.621 10.134 -38.944 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -8.027 9.875 -38.197 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.700 7.937 -33.822 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.476 7.918 -32.576 1.00 0.67 C ATOM 1339 C GLN A 85 -10.187 9.165 -31.739 1.00 0.70 C ATOM 1340 O GLN A 85 -11.013 9.589 -30.929 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.161 6.680 -31.725 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.162 5.363 -32.480 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.396 5.147 -33.327 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.416 4.655 -32.849 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.287 5.464 -34.602 1.00 0.72 N ATOM 0 H GLN A 85 -9.042 7.165 -33.927 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.527 7.893 -32.864 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.183 6.815 -31.263 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.890 6.618 -30.917 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.281 5.321 -33.120 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.075 4.545 -31.765 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.420 5.870 -34.954 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.069 5.303 -35.236 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.006 9.739 -31.938 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.566 10.890 -31.159 1.00 0.71 C ATOM 1356 C ASN A 86 -8.802 12.191 -31.919 1.00 0.67 C ATOM 1357 O ASN A 86 -9.019 13.241 -31.312 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.078 10.765 -30.814 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.757 9.518 -30.009 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.830 9.522 -28.780 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.387 8.446 -30.694 1.00 0.87 N ATOM 0 H ASN A 86 -8.333 9.424 -32.636 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.151 10.911 -30.240 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.497 10.755 -31.736 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.766 11.644 -30.250 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.150 7.584 -30.203 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.339 8.483 -31.712 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.749 12.114 -33.243 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.925 13.287 -34.095 1.00 0.62 C ATOM 1370 C ILE A 87 -10.384 13.386 -34.538 1.00 0.67 C ATOM 1371 O ILE A 87 -11.173 12.478 -34.285 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.019 13.203 -35.356 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.685 12.527 -35.015 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.771 14.590 -35.943 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.701 12.489 -36.163 1.00 0.59 C ATOM 0 H ILE A 87 -8.585 11.247 -33.754 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.645 14.169 -33.519 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.537 12.602 -36.103 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.228 13.052 -34.176 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.881 11.507 -34.684 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.135 14.504 -36.824 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.722 15.041 -36.225 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.279 15.217 -35.200 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.784 11.995 -35.840 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.136 11.938 -36.997 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.473 13.506 -36.480 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.761 14.490 -35.163 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.061 14.565 -35.811 1.00 0.80 C ATOM 1389 C HIS A 88 -11.908 14.209 -37.282 1.00 0.76 C ATOM 1390 O HIS A 88 -12.507 13.252 -37.768 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.686 15.955 -35.664 1.00 0.95 C ATOM 1392 CG HIS A 88 -14.056 16.058 -36.268 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.163 15.458 -35.714 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.492 16.684 -37.387 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.220 15.708 -36.463 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.841 16.451 -37.483 1.00 1.85 N ATOM 0 H HIS A 88 -10.195 15.335 -35.235 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.730 13.855 -35.325 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.743 16.210 -34.606 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -12.033 16.691 -36.134 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.890 17.259 -38.075 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.225 15.362 -36.272 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.451 16.797 -38.224 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.086 14.979 -37.978 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.822 14.737 -39.384 1.00 0.68 C ATOM 1407 C ALA A 89 -9.329 14.811 -39.661 1.00 0.62 C ATOM 1408 O ALA A 89 -8.722 15.879 -39.561 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.574 15.739 -40.247 1.00 0.78 C ATOM 0 H ALA A 89 -10.589 15.780 -37.588 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.172 13.736 -39.635 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.365 15.543 -41.299 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.645 15.643 -40.066 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.252 16.750 -39.995 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.731 13.676 -39.980 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.318 13.639 -40.308 1.00 0.47 C ATOM 1417 C PHE A 90 -7.124 13.718 -41.817 1.00 0.48 C ATOM 1418 O PHE A 90 -7.650 12.896 -42.571 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.663 12.374 -39.749 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.191 12.282 -40.042 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.279 13.028 -39.314 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.723 11.450 -41.046 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.927 12.946 -39.582 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.371 11.365 -41.318 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.473 12.114 -40.585 1.00 0.49 C ATOM 0 H PHE A 90 -9.201 12.771 -40.019 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.836 14.502 -39.848 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.813 12.343 -38.670 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.164 11.500 -40.166 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.629 13.681 -38.528 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.422 10.862 -41.622 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.225 13.532 -39.007 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.017 10.713 -42.103 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.416 12.049 -40.796 1.00 0.49 H new ATOM 1435 N SER A 91 -6.380 14.716 -42.246 1.00 0.44 N ATOM 1436 CA SER A 91 -6.073 14.896 -43.648 1.00 0.48 C ATOM 1437 C SER A 91 -4.594 14.624 -43.880 1.00 0.45 C ATOM 1438 O SER A 91 -3.775 14.798 -42.976 1.00 0.52 O ATOM 1439 CB SER A 91 -6.445 16.315 -44.084 1.00 0.56 C ATOM 1440 OG SER A 91 -6.106 16.548 -45.438 1.00 1.27 O ATOM 0 H SER A 91 -5.972 15.423 -41.634 1.00 0.44 H new ATOM 0 HA SER A 91 -6.654 14.194 -44.246 1.00 0.48 H new ATOM 0 HB2 SER A 91 -7.515 16.471 -43.944 1.00 0.56 H new ATOM 0 HB3 SER A 91 -5.932 17.038 -43.450 1.00 0.56 H new ATOM 0 HG SER A 91 -5.243 17.011 -45.484 1.00 1.27 H new ATOM 1446 N MET A 92 -4.252 14.181 -45.076 1.00 0.48 N ATOM 1447 CA MET A 92 -2.878 13.834 -45.384 1.00 0.48 C ATOM 1448 C MET A 92 -2.507 14.287 -46.787 1.00 0.53 C ATOM 1449 O MET A 92 -3.341 14.289 -47.692 1.00 0.62 O ATOM 1450 CB MET A 92 -2.656 12.318 -45.246 1.00 0.52 C ATOM 1451 CG MET A 92 -3.339 11.475 -46.322 1.00 0.61 C ATOM 1452 SD MET A 92 -5.144 11.513 -46.235 1.00 0.64 S ATOM 1453 CE MET A 92 -5.426 10.754 -44.637 1.00 0.64 C ATOM 0 H MET A 92 -4.906 14.053 -45.848 1.00 0.48 H new ATOM 0 HA MET A 92 -2.235 14.349 -44.670 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.585 12.117 -45.271 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.018 11.998 -44.269 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.024 11.829 -47.303 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.001 10.443 -46.232 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.365 10.200 -44.658 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.607 10.072 -44.409 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.478 11.528 -43.871 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.260 14.694 -46.952 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.721 15.018 -48.262 1.00 0.59 C ATOM 1465 C LYS A 93 0.215 13.894 -48.686 1.00 0.49 C ATOM 1466 O LYS A 93 1.254 13.692 -48.064 1.00 0.42 O ATOM 1467 CB LYS A 93 0.063 16.337 -48.234 1.00 0.70 C ATOM 1468 CG LYS A 93 -0.607 17.476 -47.473 1.00 1.14 C ATOM 1469 CD LYS A 93 -1.959 17.850 -48.053 1.00 1.44 C ATOM 1470 CE LYS A 93 -2.454 19.166 -47.473 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.885 19.413 -47.789 1.00 2.23 N ATOM 0 H LYS A 93 -0.596 14.809 -46.186 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.547 15.129 -48.964 1.00 0.59 H new ATOM 0 HB2 LYS A 93 1.041 16.150 -47.790 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.236 16.660 -49.261 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -0.731 17.187 -46.429 1.00 1.14 H new ATOM 0 HG3 LYS A 93 0.044 18.350 -47.487 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.884 17.931 -49.137 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.681 17.061 -47.842 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -2.318 19.159 -46.392 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -1.850 19.984 -47.865 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.041 20.433 -47.919 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -4.139 18.910 -48.663 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.478 19.069 -47.006 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.142 13.162 -49.726 1.00 0.56 N ATOM 1486 CA CYS A 94 0.665 12.027 -50.149 1.00 0.54 C ATOM 1487 C CYS A 94 1.820 12.476 -51.039 1.00 0.52 C ATOM 1488 O CYS A 94 1.615 12.938 -52.163 1.00 0.64 O ATOM 1489 CB CYS A 94 -0.207 10.996 -50.870 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.305 11.697 -52.124 1.00 1.38 S ATOM 0 H CYS A 94 -0.976 13.329 -50.289 1.00 0.56 H new ATOM 0 HA CYS A 94 1.092 11.561 -49.261 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.440 10.257 -51.343 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.809 10.467 -50.132 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.997 10.745 -52.676 1.00 1.38 H new ATOM 1496 N HIS A 95 3.037 12.378 -50.512 1.00 0.44 N ATOM 1497 CA HIS A 95 4.229 12.743 -51.270 1.00 0.50 C ATOM 1498 C HIS A 95 5.337 11.706 -51.093 1.00 0.44 C ATOM 1499 O HIS A 95 5.335 10.914 -50.139 1.00 0.44 O ATOM 1500 CB HIS A 95 4.740 14.130 -50.859 1.00 0.62 C ATOM 1501 CG HIS A 95 3.869 15.259 -51.323 1.00 0.95 C ATOM 1502 ND1 HIS A 95 4.012 15.856 -52.553 1.00 1.36 N ATOM 1503 CD2 HIS A 95 2.835 15.892 -50.719 1.00 1.84 C ATOM 1504 CE1 HIS A 95 3.110 16.808 -52.687 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.378 16.853 -51.590 1.00 1.98 N ATOM 0 H HIS A 95 3.223 12.049 -49.565 1.00 0.44 H new ATOM 0 HA HIS A 95 3.948 12.772 -52.323 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.822 14.169 -49.773 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.744 14.270 -51.259 1.00 0.62 H new ATOM 0 HD2 HIS A 95 2.442 15.681 -49.735 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.990 17.445 -53.551 1.00 1.65 H new ATOM 0 HE2 HIS A 95 1.603 17.493 -51.417 1.00 1.98 H new ATOM 1514 N THR A 96 6.278 11.716 -52.024 1.00 0.46 N ATOM 1515 CA THR A 96 7.398 10.792 -52.006 1.00 0.49 C ATOM 1516 C THR A 96 8.727 11.552 -51.934 1.00 0.46 C ATOM 1517 O THR A 96 8.796 12.723 -52.316 1.00 0.47 O ATOM 1518 CB THR A 96 7.357 9.874 -53.243 1.00 0.58 C ATOM 1519 OG1 THR A 96 6.877 10.606 -54.376 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.461 8.671 -52.993 1.00 0.65 C ATOM 0 H THR A 96 6.286 12.364 -52.812 1.00 0.46 H new ATOM 0 HA THR A 96 7.318 10.170 -51.115 1.00 0.49 H new ATOM 0 HB THR A 96 8.368 9.518 -53.441 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.588 11.191 -54.713 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.447 8.037 -53.880 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.844 8.102 -52.146 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.449 9.011 -52.774 1.00 0.65 H new ATOM 1528 N PRO A 97 9.793 10.895 -51.432 1.00 0.47 N ATOM 1529 CA PRO A 97 11.074 11.553 -51.119 1.00 0.48 C ATOM 1530 C PRO A 97 11.710 12.292 -52.299 1.00 0.52 C ATOM 1531 O PRO A 97 12.054 13.469 -52.183 1.00 0.54 O ATOM 1532 CB PRO A 97 11.980 10.398 -50.666 1.00 0.53 C ATOM 1533 CG PRO A 97 11.302 9.154 -51.129 1.00 0.72 C ATOM 1534 CD PRO A 97 9.834 9.458 -51.125 1.00 0.51 C ATOM 0 HA PRO A 97 10.926 12.331 -50.370 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.976 10.487 -51.100 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.103 10.398 -49.583 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.640 8.874 -52.127 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.529 8.317 -50.469 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.298 8.871 -51.871 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.379 9.239 -50.159 1.00 0.51 H new ATOM 1542 N LEU A 98 11.861 11.605 -53.427 1.00 0.60 N ATOM 1543 CA LEU A 98 12.574 12.162 -54.575 1.00 0.71 C ATOM 1544 C LEU A 98 11.894 13.425 -55.093 1.00 0.66 C ATOM 1545 O LEU A 98 12.548 14.441 -55.330 1.00 0.71 O ATOM 1546 CB LEU A 98 12.685 11.127 -55.704 1.00 0.88 C ATOM 1547 CG LEU A 98 13.751 10.036 -55.515 1.00 1.34 C ATOM 1548 CD1 LEU A 98 15.124 10.657 -55.302 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.397 9.112 -54.358 1.00 1.78 C ATOM 0 H LEU A 98 11.500 10.662 -53.572 1.00 0.60 H new ATOM 0 HA LEU A 98 13.576 12.426 -54.238 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.716 10.643 -55.823 1.00 0.88 H new ATOM 0 HB3 LEU A 98 12.894 11.655 -56.635 1.00 0.88 H new ATOM 0 HG LEU A 98 13.779 9.437 -56.425 1.00 1.34 H new ATOM 0 HD11 LEU A 98 15.864 9.868 -55.170 1.00 2.08 H new ATOM 0 HD12 LEU A 98 15.389 11.261 -56.170 1.00 2.08 H new ATOM 0 HD13 LEU A 98 15.104 11.288 -54.413 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.170 8.351 -54.250 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.327 9.692 -53.438 1.00 1.78 H new ATOM 0 HD23 LEU A 98 12.440 8.630 -54.557 1.00 1.78 H new ATOM 1561 N GLU A 99 10.586 13.356 -55.258 1.00 0.65 N ATOM 1562 CA GLU A 99 9.814 14.477 -55.771 1.00 0.72 C ATOM 1563 C GLU A 99 9.787 15.630 -54.770 1.00 0.64 C ATOM 1564 O GLU A 99 9.952 16.792 -55.145 1.00 0.71 O ATOM 1565 CB GLU A 99 8.380 14.041 -56.097 1.00 0.88 C ATOM 1566 CG GLU A 99 8.264 13.036 -57.240 1.00 1.19 C ATOM 1567 CD GLU A 99 8.716 11.633 -56.870 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.948 11.363 -55.673 1.00 2.44 O ATOM 1569 OE2 GLU A 99 8.829 10.786 -57.777 1.00 2.69 O ATOM 0 H GLU A 99 10.030 12.528 -55.042 1.00 0.65 H new ATOM 0 HA GLU A 99 10.298 14.821 -56.685 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.934 13.606 -55.202 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.794 14.925 -56.348 1.00 0.88 H new ATOM 0 HG2 GLU A 99 7.227 12.998 -57.574 1.00 1.19 H new ATOM 0 HG3 GLU A 99 8.858 13.389 -58.083 1.00 1.19 H new ATOM 1576 N TYR A 100 9.601 15.298 -53.496 1.00 0.57 N ATOM 1577 CA TYR A 100 9.478 16.310 -52.452 1.00 0.63 C ATOM 1578 C TYR A 100 10.764 17.118 -52.302 1.00 0.66 C ATOM 1579 O TYR A 100 10.723 18.312 -51.997 1.00 0.76 O ATOM 1580 CB TYR A 100 9.107 15.663 -51.115 1.00 0.67 C ATOM 1581 CG TYR A 100 8.906 16.664 -49.999 1.00 0.85 C ATOM 1582 CD1 TYR A 100 7.746 17.424 -49.924 1.00 0.98 C ATOM 1583 CD2 TYR A 100 9.878 16.852 -49.024 1.00 0.96 C ATOM 1584 CE1 TYR A 100 7.562 18.345 -48.912 1.00 1.17 C ATOM 1585 CE2 TYR A 100 9.700 17.771 -48.008 1.00 1.15 C ATOM 1586 CZ TYR A 100 8.539 18.514 -47.958 1.00 1.24 C ATOM 1587 OH TYR A 100 8.357 19.432 -46.950 1.00 1.46 O ATOM 0 H TYR A 100 9.532 14.337 -53.162 1.00 0.57 H new ATOM 0 HA TYR A 100 8.682 16.992 -52.750 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.193 15.083 -51.242 1.00 0.67 H new ATOM 0 HB3 TYR A 100 9.892 14.963 -50.828 1.00 0.67 H new ATOM 0 HD1 TYR A 100 6.975 17.292 -50.669 1.00 0.98 H new ATOM 0 HD2 TYR A 100 10.787 16.270 -49.061 1.00 0.96 H new ATOM 0 HE1 TYR A 100 6.655 18.930 -48.869 1.00 1.17 H new ATOM 0 HE2 TYR A 100 10.465 17.907 -47.258 1.00 1.15 H new ATOM 0 HH TYR A 100 8.447 18.987 -46.082 1.00 1.46 H new ATOM 1597 N ASP A 101 11.902 16.472 -52.525 1.00 0.66 N ATOM 1598 CA ASP A 101 13.190 17.143 -52.388 1.00 0.78 C ATOM 1599 C ASP A 101 13.325 18.286 -53.391 1.00 0.81 C ATOM 1600 O ASP A 101 13.934 19.315 -53.100 1.00 0.93 O ATOM 1601 CB ASP A 101 14.344 16.155 -52.564 1.00 0.88 C ATOM 1602 CG ASP A 101 15.695 16.831 -52.448 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.046 17.288 -51.342 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.416 16.908 -53.468 1.00 1.14 O ATOM 0 H ASP A 101 11.960 15.491 -52.800 1.00 0.66 H new ATOM 0 HA ASP A 101 13.236 17.558 -51.381 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.266 15.370 -51.812 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.263 15.673 -53.538 1.00 0.88 H new ATOM 1609 N LYS A 102 12.729 18.116 -54.564 1.00 0.75 N ATOM 1610 CA LYS A 102 12.783 19.147 -55.593 1.00 0.84 C ATOM 1611 C LYS A 102 11.848 20.304 -55.247 1.00 0.89 C ATOM 1612 O LYS A 102 12.018 21.419 -55.739 1.00 1.05 O ATOM 1613 CB LYS A 102 12.447 18.576 -56.978 1.00 0.88 C ATOM 1614 CG LYS A 102 13.663 18.120 -57.787 1.00 1.03 C ATOM 1615 CD LYS A 102 14.036 16.660 -57.541 1.00 1.09 C ATOM 1616 CE LYS A 102 14.704 16.440 -56.190 1.00 1.86 C ATOM 1617 NZ LYS A 102 16.017 17.130 -56.080 1.00 2.66 N ATOM 0 H LYS A 102 12.206 17.280 -54.826 1.00 0.75 H new ATOM 0 HA LYS A 102 13.805 19.526 -55.629 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.771 17.730 -56.854 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.910 19.333 -57.549 1.00 0.88 H new ATOM 0 HG2 LYS A 102 13.459 18.262 -58.848 1.00 1.03 H new ATOM 0 HG3 LYS A 102 14.515 18.753 -57.538 1.00 1.03 H new ATOM 0 HD2 LYS A 102 13.138 16.045 -57.601 1.00 1.09 H new ATOM 0 HD3 LYS A 102 14.706 16.323 -58.332 1.00 1.09 H new ATOM 0 HE2 LYS A 102 14.043 16.797 -55.400 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.845 15.371 -56.029 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.526 16.777 -55.245 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 16.580 16.942 -56.934 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.864 18.154 -55.985 1.00 2.66 H new ATOM 1631 N LEU A 103 10.875 20.040 -54.386 1.00 0.83 N ATOM 1632 CA LEU A 103 9.976 21.083 -53.910 1.00 0.97 C ATOM 1633 C LEU A 103 10.699 21.968 -52.898 1.00 1.12 C ATOM 1634 O LEU A 103 10.767 23.188 -53.057 1.00 1.31 O ATOM 1635 CB LEU A 103 8.727 20.466 -53.274 1.00 0.98 C ATOM 1636 CG LEU A 103 7.920 19.534 -54.182 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.756 18.925 -53.416 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.419 20.282 -55.409 1.00 1.00 C ATOM 0 H LEU A 103 10.688 19.113 -54.003 1.00 0.83 H new ATOM 0 HA LEU A 103 9.665 21.692 -54.759 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.029 19.909 -52.387 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.075 21.272 -52.938 1.00 0.98 H new ATOM 0 HG LEU A 103 8.574 18.728 -54.516 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.192 18.265 -54.075 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.137 18.353 -52.570 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.104 19.719 -53.053 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.848 19.602 -56.041 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.781 21.109 -55.096 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.269 20.672 -55.970 1.00 1.00 H new ATOM 1650 N LYS A 104 11.281 21.332 -51.879 1.00 1.09 N ATOM 1651 CA LYS A 104 12.029 22.047 -50.839 1.00 1.27 C ATOM 1652 C LYS A 104 13.323 22.644 -51.391 1.00 1.37 C ATOM 1653 O LYS A 104 14.010 23.399 -50.703 1.00 1.56 O ATOM 1654 CB LYS A 104 12.353 21.120 -49.661 1.00 1.32 C ATOM 1655 CG LYS A 104 12.878 19.756 -50.079 1.00 1.07 C ATOM 1656 CD LYS A 104 13.857 19.189 -49.061 1.00 1.22 C ATOM 1657 CE LYS A 104 15.200 19.901 -49.140 1.00 1.45 C ATOM 1658 NZ LYS A 104 16.198 19.328 -48.200 1.00 1.84 N ATOM 0 H LYS A 104 11.249 20.321 -51.751 1.00 1.09 H new ATOM 0 HA LYS A 104 11.393 22.860 -50.489 1.00 1.27 H new ATOM 0 HB2 LYS A 104 13.093 21.604 -49.023 1.00 1.32 H new ATOM 0 HB3 LYS A 104 11.454 20.984 -49.060 1.00 1.32 H new ATOM 0 HG2 LYS A 104 12.042 19.067 -50.202 1.00 1.07 H new ATOM 0 HG3 LYS A 104 13.369 19.837 -51.049 1.00 1.07 H new ATOM 0 HD2 LYS A 104 13.445 19.293 -48.057 1.00 1.22 H new ATOM 0 HD3 LYS A 104 13.996 18.123 -49.239 1.00 1.22 H new ATOM 0 HE2 LYS A 104 15.584 19.836 -50.158 1.00 1.45 H new ATOM 0 HE3 LYS A 104 15.061 20.959 -48.919 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 17.096 19.845 -48.290 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 15.846 19.413 -47.225 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 16.352 18.325 -48.426 1.00 1.84 H new ATOM 1672 N SER A 105 13.647 22.289 -52.630 1.00 1.32 N ATOM 1673 CA SER A 105 14.818 22.821 -53.316 1.00 1.51 C ATOM 1674 C SER A 105 14.768 24.349 -53.372 1.00 1.66 C ATOM 1675 O SER A 105 15.799 25.018 -53.302 1.00 1.77 O ATOM 1676 CB SER A 105 14.887 22.228 -54.728 1.00 1.59 C ATOM 1677 OG SER A 105 16.002 22.703 -55.460 1.00 2.05 O ATOM 0 H SER A 105 13.106 21.626 -53.185 1.00 1.32 H new ATOM 0 HA SER A 105 15.715 22.541 -52.764 1.00 1.51 H new ATOM 0 HB2 SER A 105 14.937 21.141 -54.660 1.00 1.59 H new ATOM 0 HB3 SER A 105 13.972 22.472 -55.267 1.00 1.59 H new ATOM 0 HG SER A 105 16.005 22.297 -56.352 1.00 2.05 H new ATOM 1683 N LYS A 106 13.565 24.897 -53.485 1.00 1.79 N ATOM 1684 CA LYS A 106 13.387 26.343 -53.501 1.00 2.10 C ATOM 1685 C LYS A 106 12.264 26.758 -52.558 1.00 2.28 C ATOM 1686 O LYS A 106 12.406 27.698 -51.778 1.00 2.61 O ATOM 1687 CB LYS A 106 13.114 26.865 -54.923 1.00 2.43 C ATOM 1688 CG LYS A 106 11.947 26.202 -55.654 1.00 2.59 C ATOM 1689 CD LYS A 106 12.341 24.877 -56.293 1.00 2.88 C ATOM 1690 CE LYS A 106 13.464 25.055 -57.305 1.00 3.39 C ATOM 1691 NZ LYS A 106 13.775 23.790 -58.023 1.00 4.02 N ATOM 0 H LYS A 106 12.700 24.363 -53.567 1.00 1.79 H new ATOM 0 HA LYS A 106 14.318 26.791 -53.155 1.00 2.10 H new ATOM 0 HB2 LYS A 106 12.924 27.937 -54.868 1.00 2.43 H new ATOM 0 HB3 LYS A 106 14.016 26.732 -55.520 1.00 2.43 H new ATOM 0 HG2 LYS A 106 11.130 26.035 -54.952 1.00 2.59 H new ATOM 0 HG3 LYS A 106 11.573 26.877 -56.424 1.00 2.59 H new ATOM 0 HD2 LYS A 106 12.656 24.178 -55.518 1.00 2.88 H new ATOM 0 HD3 LYS A 106 11.473 24.437 -56.785 1.00 2.88 H new ATOM 0 HE2 LYS A 106 13.183 25.822 -58.027 1.00 3.39 H new ATOM 0 HE3 LYS A 106 14.359 25.411 -56.794 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 14.734 23.843 -58.421 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 13.719 22.991 -57.359 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 13.089 23.649 -58.792 1.00 4.02 H new ATOM 1705 N GLY A 107 11.154 26.046 -52.638 1.00 2.51 N ATOM 1706 CA GLY A 107 10.016 26.334 -51.792 1.00 2.97 C ATOM 1707 C GLY A 107 8.724 25.886 -52.435 1.00 3.39 C ATOM 1708 O GLY A 107 7.861 25.306 -51.781 1.00 3.92 O ATOM 0 H GLY A 107 11.019 25.265 -53.280 1.00 2.51 H new ATOM 0 HA2 GLY A 107 10.139 25.834 -50.831 1.00 2.97 H new ATOM 0 HA3 GLY A 107 9.972 27.404 -51.591 1.00 2.97 H new ATOM 1712 N SER A 108 8.603 26.150 -53.726 1.00 3.41 N ATOM 1713 CA SER A 108 7.443 25.738 -54.491 1.00 4.00 C ATOM 1714 C SER A 108 7.851 25.512 -55.943 1.00 4.47 C ATOM 1715 O SER A 108 8.097 26.509 -56.654 1.00 4.98 O ATOM 1716 CB SER A 108 6.336 26.795 -54.394 1.00 4.21 C ATOM 1717 OG SER A 108 5.129 26.340 -54.984 1.00 4.39 O ATOM 1718 OXT SER A 108 7.948 24.341 -56.359 1.00 4.69 O ATOM 0 H SER A 108 9.304 26.654 -54.269 1.00 3.41 H new ATOM 0 HA SER A 108 7.052 24.806 -54.083 1.00 4.00 H new ATOM 0 HB2 SER A 108 6.159 27.043 -53.347 1.00 4.21 H new ATOM 0 HB3 SER A 108 6.661 27.710 -54.888 1.00 4.21 H new ATOM 0 HG SER A 108 4.443 27.036 -54.904 1.00 4.39 H new TER 1724 SER A 108