USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 536 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.833 (180deg=0.478) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 4 HIS : no HE2:sc= 0.989 K(o=0.99,f=-3.2!) USER MOD Single : A 5 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.46) USER MOD Single : A 6 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=-0.0087) USER MOD Single : A 7 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -38:sc= 0.746 USER MOD Single : A 10 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.23) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 13 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=-0.026) USER MOD Single : A 14 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.41) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.223 K(o=-0.22,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.998 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 48 SER OG : rot -91:sc= 0.955 USER MOD Single : A 51 ASN : amide:sc= 0.472 X(o=0.47,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.681 USER MOD Single : A 58 HIS : no HD1:sc= 1.01 K(o=1,f=-3.9!) USER MOD Single : A 59 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.612 -30.993 5.278 1.00 43.04 N ATOM 2 CA MET A 1 -28.650 -29.972 4.968 1.00 3.22 C ATOM 3 C MET A 1 -28.144 -28.551 5.263 1.00 42.20 C ATOM 4 O MET A 1 -27.009 -28.363 5.698 1.00 11.45 O ATOM 5 CB MET A 1 -29.930 -30.249 5.769 1.00 33.42 C ATOM 6 CG MET A 1 -30.644 -31.536 5.374 1.00 2.40 C ATOM 7 SD MET A 1 -29.622 -33.002 5.604 1.00 24.41 S ATOM 8 CE MET A 1 -30.719 -34.274 4.975 1.00 31.24 C ATOM 0 H1 MET A 1 -28.045 -31.938 5.282 1.00 43.04 H new ATOM 0 H2 MET A 1 -26.864 -30.958 4.556 1.00 43.04 H new ATOM 0 H3 MET A 1 -27.201 -30.797 6.213 1.00 43.04 H new ATOM 0 HA MET A 1 -28.873 -30.039 3.903 1.00 3.22 H new ATOM 0 HB2 MET A 1 -29.680 -30.295 6.829 1.00 33.42 H new ATOM 0 HB3 MET A 1 -30.615 -29.411 5.640 1.00 33.42 H new ATOM 0 HG2 MET A 1 -31.554 -31.637 5.965 1.00 2.40 H new ATOM 0 HG3 MET A 1 -30.948 -31.471 4.329 1.00 2.40 H new ATOM 0 HE1 MET A 1 -30.230 -35.245 5.049 1.00 31.24 H new ATOM 0 HE2 MET A 1 -31.638 -34.285 5.561 1.00 31.24 H new ATOM 0 HE3 MET A 1 -30.957 -34.066 3.932 1.00 31.24 H new ATOM 20 N GLY A 2 -29.002 -27.555 5.027 1.00 62.42 N ATOM 21 CA GLY A 2 -28.621 -26.158 5.236 1.00 53.11 C ATOM 22 C GLY A 2 -28.861 -25.279 4.007 1.00 14.04 C ATOM 23 O GLY A 2 -28.273 -24.204 3.880 1.00 22.11 O ATOM 0 H GLY A 2 -29.957 -27.689 4.694 1.00 62.42 H new ATOM 0 HA2 GLY A 2 -29.185 -25.756 6.078 1.00 53.11 H new ATOM 0 HA3 GLY A 2 -27.566 -26.112 5.507 1.00 53.11 H new ATOM 27 N HIS A 3 -29.745 -25.721 3.111 1.00 32.41 N ATOM 28 CA HIS A 3 -30.019 -24.994 1.860 1.00 62.43 C ATOM 29 C HIS A 3 -30.865 -23.735 2.125 1.00 44.00 C ATOM 30 O HIS A 3 -32.065 -23.832 2.385 1.00 24.54 O ATOM 31 CB HIS A 3 -30.759 -25.901 0.863 1.00 72.34 C ATOM 32 CG HIS A 3 -30.112 -27.236 0.651 1.00 43.31 C ATOM 33 ND1 HIS A 3 -30.724 -28.425 0.984 1.00 22.10 N ATOM 34 CD2 HIS A 3 -28.909 -27.570 0.129 1.00 41.34 C ATOM 35 CE1 HIS A 3 -29.928 -29.429 0.682 1.00 42.35 C ATOM 36 NE2 HIS A 3 -28.822 -28.940 0.161 1.00 33.54 N ATOM 0 H HIS A 3 -30.286 -26.578 3.224 1.00 32.41 H new ATOM 0 HA HIS A 3 -29.061 -24.692 1.437 1.00 62.43 H new ATOM 0 HB2 HIS A 3 -31.778 -26.056 1.217 1.00 72.34 H new ATOM 0 HB3 HIS A 3 -30.829 -25.387 -0.096 1.00 72.34 H new ATOM 0 HD2 HIS A 3 -28.159 -26.888 -0.243 1.00 41.34 H new ATOM 0 HE1 HIS A 3 -30.145 -30.476 0.835 1.00 42.35 H new ATOM 0 HE2 HIS A 3 -28.028 -29.490 -0.166 1.00 33.54 H new ATOM 45 N HIS A 4 -30.241 -22.555 2.071 1.00 73.30 N ATOM 46 CA HIS A 4 -30.964 -21.297 2.298 1.00 34.13 C ATOM 47 C HIS A 4 -30.269 -20.109 1.618 1.00 53.34 C ATOM 48 O HIS A 4 -29.084 -20.173 1.292 1.00 54.45 O ATOM 49 CB HIS A 4 -31.109 -21.026 3.805 1.00 42.45 C ATOM 50 CG HIS A 4 -29.813 -20.742 4.508 1.00 1.55 C ATOM 51 ND1 HIS A 4 -28.919 -21.726 4.870 1.00 23.43 N ATOM 52 CD2 HIS A 4 -29.269 -19.574 4.931 1.00 2.34 C ATOM 53 CE1 HIS A 4 -27.889 -21.178 5.485 1.00 54.54 C ATOM 54 NE2 HIS A 4 -28.076 -19.876 5.535 1.00 21.12 N ATOM 0 H HIS A 4 -29.247 -22.443 1.874 1.00 73.30 H new ATOM 0 HA HIS A 4 -31.953 -21.406 1.853 1.00 34.13 H new ATOM 0 HB2 HIS A 4 -31.780 -20.179 3.947 1.00 42.45 H new ATOM 0 HB3 HIS A 4 -31.582 -21.889 4.274 1.00 42.45 H new ATOM 0 HD1 HIS A 4 -29.036 -22.723 4.690 1.00 23.43 H new ATOM 0 HD2 HIS A 4 -29.696 -18.589 4.814 1.00 2.34 H new ATOM 0 HE1 HIS A 4 -27.036 -21.708 5.881 1.00 54.54 H new ATOM 63 N HIS A 5 -31.027 -19.033 1.409 1.00 74.34 N ATOM 64 CA HIS A 5 -30.504 -17.784 0.834 1.00 42.24 C ATOM 65 C HIS A 5 -29.941 -17.986 -0.588 1.00 13.30 C ATOM 66 O HIS A 5 -28.977 -17.333 -0.989 1.00 74.05 O ATOM 67 CB HIS A 5 -29.434 -17.176 1.759 1.00 53.25 C ATOM 68 CG HIS A 5 -29.003 -15.794 1.360 1.00 10.44 C ATOM 69 ND1 HIS A 5 -29.852 -14.707 1.381 1.00 75.22 N ATOM 70 CD2 HIS A 5 -27.813 -15.326 0.909 1.00 10.32 C ATOM 71 CE1 HIS A 5 -29.207 -13.637 0.958 1.00 74.14 C ATOM 72 NE2 HIS A 5 -27.973 -13.984 0.667 1.00 4.45 N ATOM 0 H HIS A 5 -32.022 -18.998 1.632 1.00 74.34 H new ATOM 0 HA HIS A 5 -31.340 -17.090 0.751 1.00 42.24 H new ATOM 0 HB2 HIS A 5 -29.822 -17.146 2.777 1.00 53.25 H new ATOM 0 HB3 HIS A 5 -28.562 -17.830 1.769 1.00 53.25 H new ATOM 0 HD2 HIS A 5 -26.910 -15.901 0.767 1.00 10.32 H new ATOM 0 HE1 HIS A 5 -29.622 -12.644 0.866 1.00 74.14 H new ATOM 0 HE2 HIS A 5 -27.249 -13.356 0.317 1.00 4.45 H new ATOM 81 N HIS A 6 -30.562 -18.876 -1.360 1.00 41.23 N ATOM 82 CA HIS A 6 -30.181 -19.079 -2.765 1.00 13.04 C ATOM 83 C HIS A 6 -30.638 -17.877 -3.613 1.00 3.34 C ATOM 84 O HIS A 6 -31.579 -17.972 -4.406 1.00 65.01 O ATOM 85 CB HIS A 6 -30.782 -20.401 -3.287 1.00 73.22 C ATOM 86 CG HIS A 6 -30.338 -20.793 -4.669 1.00 34.33 C ATOM 87 ND1 HIS A 6 -29.204 -21.537 -4.911 1.00 21.42 N ATOM 88 CD2 HIS A 6 -30.891 -20.559 -5.886 1.00 70.33 C ATOM 89 CE1 HIS A 6 -29.078 -21.742 -6.204 1.00 61.02 C ATOM 90 NE2 HIS A 6 -30.086 -21.162 -6.820 1.00 42.43 N ATOM 0 H HIS A 6 -31.329 -19.468 -1.042 1.00 41.23 H new ATOM 0 HA HIS A 6 -29.096 -19.150 -2.842 1.00 13.04 H new ATOM 0 HB2 HIS A 6 -30.519 -21.201 -2.595 1.00 73.22 H new ATOM 0 HB3 HIS A 6 -31.869 -20.318 -3.280 1.00 73.22 H new ATOM 0 HD2 HIS A 6 -31.795 -20.002 -6.083 1.00 70.33 H new ATOM 0 HE1 HIS A 6 -28.281 -22.294 -6.680 1.00 61.02 H new ATOM 0 HE2 HIS A 6 -30.243 -21.161 -7.828 1.00 42.43 H new ATOM 99 N HIS A 7 -29.967 -16.741 -3.422 1.00 14.01 N ATOM 100 CA HIS A 7 -30.348 -15.477 -4.064 1.00 71.42 C ATOM 101 C HIS A 7 -30.095 -15.501 -5.578 1.00 64.33 C ATOM 102 O HIS A 7 -29.103 -14.957 -6.066 1.00 32.43 O ATOM 103 CB HIS A 7 -29.589 -14.316 -3.401 1.00 65.33 C ATOM 104 CG HIS A 7 -29.905 -12.962 -3.968 1.00 72.41 C ATOM 105 ND1 HIS A 7 -31.123 -12.339 -3.805 1.00 40.02 N ATOM 106 CD2 HIS A 7 -29.149 -12.105 -4.697 1.00 21.31 C ATOM 107 CE1 HIS A 7 -31.104 -11.168 -4.405 1.00 43.22 C ATOM 108 NE2 HIS A 7 -29.920 -11.002 -4.952 1.00 12.05 N ATOM 0 H HIS A 7 -29.146 -16.668 -2.821 1.00 14.01 H new ATOM 0 HA HIS A 7 -31.420 -15.335 -3.927 1.00 71.42 H new ATOM 0 HB2 HIS A 7 -29.816 -14.312 -2.335 1.00 65.33 H new ATOM 0 HB3 HIS A 7 -28.518 -14.496 -3.498 1.00 65.33 H new ATOM 0 HD2 HIS A 7 -28.130 -12.262 -5.017 1.00 21.31 H new ATOM 0 HE1 HIS A 7 -31.922 -10.463 -4.442 1.00 43.22 H new ATOM 0 HE2 HIS A 7 -29.623 -10.183 -5.482 1.00 12.05 H new ATOM 117 N HIS A 8 -30.990 -16.167 -6.314 1.00 1.23 N ATOM 118 CA HIS A 8 -30.880 -16.293 -7.775 1.00 72.52 C ATOM 119 C HIS A 8 -29.508 -16.844 -8.213 1.00 54.13 C ATOM 120 O HIS A 8 -29.084 -16.639 -9.350 1.00 54.34 O ATOM 121 CB HIS A 8 -31.154 -14.941 -8.449 1.00 63.51 C ATOM 122 CG HIS A 8 -32.575 -14.481 -8.317 1.00 12.00 C ATOM 123 ND1 HIS A 8 -33.538 -14.750 -9.258 1.00 34.43 N ATOM 124 CD2 HIS A 8 -33.192 -13.756 -7.351 1.00 45.33 C ATOM 125 CE1 HIS A 8 -34.682 -14.218 -8.884 1.00 11.13 C ATOM 126 NE2 HIS A 8 -34.503 -13.607 -7.733 1.00 71.21 N ATOM 0 H HIS A 8 -31.807 -16.632 -5.919 1.00 1.23 H new ATOM 0 HA HIS A 8 -31.633 -17.013 -8.095 1.00 72.52 H new ATOM 0 HB2 HIS A 8 -30.496 -14.188 -8.015 1.00 63.51 H new ATOM 0 HB3 HIS A 8 -30.901 -15.014 -9.507 1.00 63.51 H new ATOM 0 HD2 HIS A 8 -32.738 -13.369 -6.451 1.00 45.33 H new ATOM 0 HE1 HIS A 8 -35.612 -14.274 -9.430 1.00 11.13 H new ATOM 0 HE2 HIS A 8 -35.220 -13.105 -7.210 1.00 71.21 H new ATOM 135 N SER A 9 -28.830 -17.553 -7.302 1.00 64.22 N ATOM 136 CA SER A 9 -27.506 -18.152 -7.577 1.00 45.10 C ATOM 137 C SER A 9 -26.424 -17.079 -7.796 1.00 13.32 C ATOM 138 O SER A 9 -25.354 -17.363 -8.330 1.00 30.31 O ATOM 139 CB SER A 9 -27.582 -19.091 -8.798 1.00 51.32 C ATOM 140 OG SER A 9 -26.363 -19.792 -9.013 1.00 31.12 O ATOM 0 H SER A 9 -29.175 -17.730 -6.359 1.00 64.22 H new ATOM 0 HA SER A 9 -27.222 -18.731 -6.698 1.00 45.10 H new ATOM 0 HB2 SER A 9 -28.391 -19.807 -8.653 1.00 51.32 H new ATOM 0 HB3 SER A 9 -27.826 -18.509 -9.687 1.00 51.32 H new ATOM 0 HG SER A 9 -25.607 -19.199 -8.820 1.00 31.12 H new ATOM 146 N HIS A 10 -26.696 -15.849 -7.352 1.00 23.20 N ATOM 147 CA HIS A 10 -25.754 -14.736 -7.530 1.00 25.11 C ATOM 148 C HIS A 10 -24.694 -14.690 -6.416 1.00 12.01 C ATOM 149 O HIS A 10 -24.878 -15.248 -5.334 1.00 22.40 O ATOM 150 CB HIS A 10 -26.502 -13.400 -7.607 1.00 13.14 C ATOM 151 CG HIS A 10 -27.341 -13.258 -8.839 1.00 51.30 C ATOM 152 ND1 HIS A 10 -28.514 -12.538 -8.875 1.00 74.14 N ATOM 153 CD2 HIS A 10 -27.156 -13.728 -10.097 1.00 21.32 C ATOM 154 CE1 HIS A 10 -29.012 -12.572 -10.094 1.00 62.50 C ATOM 155 NE2 HIS A 10 -28.208 -13.285 -10.854 1.00 30.12 N ATOM 0 H HIS A 10 -27.558 -15.597 -6.868 1.00 23.20 H new ATOM 0 HA HIS A 10 -25.233 -14.906 -8.472 1.00 25.11 H new ATOM 0 HB2 HIS A 10 -27.139 -13.298 -6.729 1.00 13.14 H new ATOM 0 HB3 HIS A 10 -25.779 -12.585 -7.573 1.00 13.14 H new ATOM 0 HD2 HIS A 10 -26.333 -14.338 -10.439 1.00 21.32 H new ATOM 0 HE1 HIS A 10 -29.926 -12.095 -10.416 1.00 62.50 H new ATOM 0 HE2 HIS A 10 -28.346 -13.477 -11.846 1.00 30.12 H new ATOM 164 N MET A 11 -23.590 -14.002 -6.703 1.00 2.44 N ATOM 165 CA MET A 11 -22.433 -13.940 -5.798 1.00 14.14 C ATOM 166 C MET A 11 -22.649 -12.989 -4.607 1.00 14.34 C ATOM 167 O MET A 11 -23.449 -12.054 -4.670 1.00 1.40 O ATOM 168 CB MET A 11 -21.200 -13.463 -6.579 1.00 61.31 C ATOM 169 CG MET A 11 -21.364 -12.064 -7.167 1.00 41.22 C ATOM 170 SD MET A 11 -19.843 -11.419 -7.885 1.00 32.42 S ATOM 171 CE MET A 11 -20.390 -9.813 -8.469 1.00 11.44 C ATOM 0 H MET A 11 -23.468 -13.472 -7.566 1.00 2.44 H new ATOM 0 HA MET A 11 -22.292 -14.945 -5.401 1.00 14.14 H new ATOM 0 HB2 MET A 11 -20.333 -13.473 -5.918 1.00 61.31 H new ATOM 0 HB3 MET A 11 -20.994 -14.167 -7.385 1.00 61.31 H new ATOM 0 HG2 MET A 11 -22.140 -12.086 -7.933 1.00 41.22 H new ATOM 0 HG3 MET A 11 -21.707 -11.385 -6.386 1.00 41.22 H new ATOM 0 HE1 MET A 11 -19.555 -9.293 -8.939 1.00 11.44 H new ATOM 0 HE2 MET A 11 -21.192 -9.944 -9.196 1.00 11.44 H new ATOM 0 HE3 MET A 11 -20.756 -9.225 -7.627 1.00 11.44 H new ATOM 181 N ASN A 12 -21.915 -13.243 -3.523 1.00 22.24 N ATOM 182 CA ASN A 12 -21.789 -12.286 -2.419 1.00 74.14 C ATOM 183 C ASN A 12 -20.574 -11.379 -2.671 1.00 53.45 C ATOM 184 O ASN A 12 -20.687 -10.151 -2.699 1.00 74.23 O ATOM 185 CB ASN A 12 -21.637 -13.032 -1.085 1.00 65.35 C ATOM 186 CG ASN A 12 -21.412 -12.103 0.098 1.00 4.25 C ATOM 187 OD1 ASN A 12 -21.879 -10.969 0.121 1.00 5.34 O ATOM 188 ND2 ASN A 12 -20.687 -12.574 1.092 1.00 14.41 N ATOM 0 H ASN A 12 -21.395 -14.109 -3.384 1.00 22.24 H new ATOM 0 HA ASN A 12 -22.688 -11.672 -2.365 1.00 74.14 H new ATOM 0 HB2 ASN A 12 -22.532 -13.628 -0.906 1.00 65.35 H new ATOM 0 HB3 ASN A 12 -20.800 -13.727 -1.158 1.00 65.35 H new ATOM 0 HD21 ASN A 12 -20.501 -11.991 1.908 1.00 14.41 H new ATOM 0 HD22 ASN A 12 -20.312 -13.521 1.045 1.00 14.41 H new ATOM 195 N HIS A 13 -19.411 -12.004 -2.865 1.00 60.25 N ATOM 196 CA HIS A 13 -18.177 -11.302 -3.240 1.00 2.21 C ATOM 197 C HIS A 13 -17.292 -12.181 -4.139 1.00 54.11 C ATOM 198 O HIS A 13 -16.806 -13.228 -3.713 1.00 64.20 O ATOM 199 CB HIS A 13 -17.371 -10.889 -1.999 1.00 13.52 C ATOM 200 CG HIS A 13 -18.014 -9.826 -1.165 1.00 70.23 C ATOM 201 ND1 HIS A 13 -18.323 -9.998 0.163 1.00 20.34 N ATOM 202 CD2 HIS A 13 -18.382 -8.560 -1.472 1.00 11.21 C ATOM 203 CE1 HIS A 13 -18.853 -8.892 0.637 1.00 75.20 C ATOM 204 NE2 HIS A 13 -18.901 -8.003 -0.333 1.00 53.35 N ATOM 0 H HIS A 13 -19.296 -13.013 -2.767 1.00 60.25 H new ATOM 0 HA HIS A 13 -18.475 -10.408 -3.788 1.00 2.21 H new ATOM 0 HB2 HIS A 13 -17.207 -11.770 -1.378 1.00 13.52 H new ATOM 0 HB3 HIS A 13 -16.390 -10.538 -2.319 1.00 13.52 H new ATOM 0 HD2 HIS A 13 -18.285 -8.079 -2.434 1.00 11.21 H new ATOM 0 HE1 HIS A 13 -19.192 -8.739 1.651 1.00 75.20 H new ATOM 0 HE2 HIS A 13 -19.265 -7.054 -0.250 1.00 53.35 H new ATOM 213 N GLN A 14 -17.101 -11.766 -5.386 1.00 75.15 N ATOM 214 CA GLN A 14 -16.123 -12.418 -6.269 1.00 14.03 C ATOM 215 C GLN A 14 -14.811 -11.627 -6.297 1.00 52.12 C ATOM 216 O GLN A 14 -14.766 -10.468 -5.878 1.00 23.30 O ATOM 217 CB GLN A 14 -16.676 -12.581 -7.693 1.00 71.41 C ATOM 218 CG GLN A 14 -17.755 -13.651 -7.827 1.00 42.52 C ATOM 219 CD GLN A 14 -17.279 -15.031 -7.405 1.00 5.02 C ATOM 220 OE1 GLN A 14 -17.432 -15.432 -6.256 1.00 53.44 O ATOM 221 NE2 GLN A 14 -16.683 -15.763 -8.326 1.00 63.23 N ATOM 0 H GLN A 14 -17.603 -10.987 -5.812 1.00 75.15 H new ATOM 0 HA GLN A 14 -15.926 -13.412 -5.868 1.00 14.03 H new ATOM 0 HB2 GLN A 14 -17.084 -11.626 -8.023 1.00 71.41 H new ATOM 0 HB3 GLN A 14 -15.853 -12.825 -8.364 1.00 71.41 H new ATOM 0 HG2 GLN A 14 -18.616 -13.369 -7.221 1.00 42.52 H new ATOM 0 HG3 GLN A 14 -18.093 -13.690 -8.862 1.00 42.52 H new ATOM 0 HE21 GLN A 14 -16.572 -15.400 -9.273 1.00 63.23 H new ATOM 0 HE22 GLN A 14 -16.333 -16.692 -8.092 1.00 63.23 H new ATOM 230 N HIS A 15 -13.753 -12.258 -6.811 1.00 34.01 N ATOM 231 CA HIS A 15 -12.404 -11.678 -6.808 1.00 12.12 C ATOM 232 C HIS A 15 -11.904 -11.471 -5.368 1.00 43.54 C ATOM 233 O HIS A 15 -12.012 -10.376 -4.809 1.00 32.34 O ATOM 234 CB HIS A 15 -12.365 -10.352 -7.588 1.00 21.25 C ATOM 235 CG HIS A 15 -12.965 -10.445 -8.960 1.00 60.44 C ATOM 236 ND1 HIS A 15 -14.201 -9.918 -9.278 1.00 74.11 N ATOM 237 CD2 HIS A 15 -12.498 -11.011 -10.099 1.00 25.24 C ATOM 238 CE1 HIS A 15 -14.466 -10.160 -10.545 1.00 35.33 C ATOM 239 NE2 HIS A 15 -13.453 -10.817 -11.064 1.00 52.34 N ATOM 0 H HIS A 15 -13.804 -13.182 -7.240 1.00 34.01 H new ATOM 0 HA HIS A 15 -11.739 -12.382 -7.308 1.00 12.12 H new ATOM 0 HB2 HIS A 15 -12.897 -9.589 -7.019 1.00 21.25 H new ATOM 0 HB3 HIS A 15 -11.330 -10.021 -7.675 1.00 21.25 H new ATOM 0 HD2 HIS A 15 -11.553 -11.519 -10.223 1.00 25.24 H new ATOM 0 HE1 HIS A 15 -15.364 -9.868 -11.069 1.00 35.33 H new ATOM 0 HE2 HIS A 15 -13.387 -11.133 -12.032 1.00 52.34 H new ATOM 248 N GLU A 16 -11.384 -12.541 -4.767 1.00 54.01 N ATOM 249 CA GLU A 16 -10.925 -12.504 -3.375 1.00 51.22 C ATOM 250 C GLU A 16 -9.689 -11.601 -3.213 1.00 60.30 C ATOM 251 O GLU A 16 -8.550 -12.060 -3.328 1.00 13.25 O ATOM 252 CB GLU A 16 -10.597 -13.925 -2.887 1.00 11.43 C ATOM 253 CG GLU A 16 -11.737 -14.932 -3.051 1.00 23.14 C ATOM 254 CD GLU A 16 -12.902 -14.684 -2.102 1.00 74.25 C ATOM 255 OE1 GLU A 16 -12.847 -15.168 -0.951 1.00 32.42 O ATOM 256 OE2 GLU A 16 -13.884 -14.030 -2.511 1.00 31.22 O ATOM 0 H GLU A 16 -11.269 -13.447 -5.222 1.00 54.01 H new ATOM 0 HA GLU A 16 -11.731 -12.088 -2.771 1.00 51.22 H new ATOM 0 HB2 GLU A 16 -9.726 -14.290 -3.431 1.00 11.43 H new ATOM 0 HB3 GLU A 16 -10.319 -13.879 -1.834 1.00 11.43 H new ATOM 0 HG2 GLU A 16 -12.100 -14.895 -4.078 1.00 23.14 H new ATOM 0 HG3 GLU A 16 -11.351 -15.938 -2.886 1.00 23.14 H new ATOM 263 N ALA A 17 -9.924 -10.312 -2.983 1.00 42.34 N ATOM 264 CA ALA A 17 -8.837 -9.358 -2.740 1.00 50.45 C ATOM 265 C ALA A 17 -8.418 -9.377 -1.263 1.00 54.34 C ATOM 266 O ALA A 17 -9.241 -9.147 -0.374 1.00 24.42 O ATOM 267 CB ALA A 17 -9.264 -7.953 -3.157 1.00 2.33 C ATOM 0 H ALA A 17 -10.857 -9.900 -2.959 1.00 42.34 H new ATOM 0 HA ALA A 17 -7.977 -9.654 -3.341 1.00 50.45 H new ATOM 0 HB1 ALA A 17 -8.448 -7.255 -2.971 1.00 2.33 H new ATOM 0 HB2 ALA A 17 -9.512 -7.948 -4.219 1.00 2.33 H new ATOM 0 HB3 ALA A 17 -10.138 -7.652 -2.579 1.00 2.33 H new ATOM 273 N ARG A 18 -7.139 -9.650 -1.001 1.00 55.44 N ATOM 274 CA ARG A 18 -6.648 -9.771 0.376 1.00 50.23 C ATOM 275 C ARG A 18 -6.397 -8.381 0.998 1.00 23.11 C ATOM 276 O ARG A 18 -5.910 -7.462 0.337 1.00 41.20 O ATOM 277 CB ARG A 18 -5.366 -10.628 0.416 1.00 12.23 C ATOM 278 CG ARG A 18 -4.086 -9.873 0.062 1.00 43.32 C ATOM 279 CD ARG A 18 -2.896 -10.805 -0.144 1.00 40.33 C ATOM 280 NE ARG A 18 -2.819 -11.317 -1.516 1.00 12.20 N ATOM 281 CZ ARG A 18 -2.551 -12.554 -1.833 1.00 1.54 C ATOM 282 NH1 ARG A 18 -2.400 -13.459 -0.918 1.00 60.24 N ATOM 283 NH2 ARG A 18 -2.449 -12.881 -3.078 1.00 12.53 N ATOM 0 H ARG A 18 -6.427 -9.791 -1.718 1.00 55.44 H new ATOM 0 HA ARG A 18 -7.415 -10.269 0.969 1.00 50.23 H new ATOM 0 HB2 ARG A 18 -5.258 -11.051 1.415 1.00 12.23 H new ATOM 0 HB3 ARG A 18 -5.482 -11.464 -0.274 1.00 12.23 H new ATOM 0 HG2 ARG A 18 -4.250 -9.292 -0.846 1.00 43.32 H new ATOM 0 HG3 ARG A 18 -3.855 -9.164 0.857 1.00 43.32 H new ATOM 0 HD2 ARG A 18 -1.975 -10.273 0.095 1.00 40.33 H new ATOM 0 HD3 ARG A 18 -2.969 -11.642 0.550 1.00 40.33 H new ATOM 0 HE ARG A 18 -2.987 -10.659 -2.277 1.00 12.20 H new ATOM 0 HH11 ARG A 18 -2.490 -13.209 0.067 1.00 60.24 H new ATOM 0 HH12 ARG A 18 -2.191 -14.422 -1.182 1.00 60.24 H new ATOM 0 HH21 ARG A 18 -2.578 -12.175 -3.803 1.00 12.53 H new ATOM 0 HH22 ARG A 18 -2.240 -13.845 -3.337 1.00 12.53 H new ATOM 297 N LYS A 19 -6.751 -8.234 2.268 1.00 54.00 N ATOM 298 CA LYS A 19 -6.561 -6.969 2.991 1.00 33.23 C ATOM 299 C LYS A 19 -5.367 -7.058 3.952 1.00 4.12 C ATOM 300 O LYS A 19 -5.200 -8.056 4.659 1.00 22.31 O ATOM 301 CB LYS A 19 -7.844 -6.616 3.755 1.00 32.40 C ATOM 302 CG LYS A 19 -9.036 -6.354 2.837 1.00 30.12 C ATOM 303 CD LYS A 19 -10.343 -6.195 3.610 1.00 24.42 C ATOM 304 CE LYS A 19 -10.754 -7.489 4.304 1.00 71.35 C ATOM 305 NZ LYS A 19 -12.103 -7.386 4.916 1.00 11.31 N ATOM 0 H LYS A 19 -7.174 -8.975 2.827 1.00 54.00 H new ATOM 0 HA LYS A 19 -6.346 -6.181 2.269 1.00 33.23 H new ATOM 0 HB2 LYS A 19 -8.090 -7.431 4.436 1.00 32.40 H new ATOM 0 HB3 LYS A 19 -7.664 -5.732 4.367 1.00 32.40 H new ATOM 0 HG2 LYS A 19 -8.850 -5.452 2.254 1.00 30.12 H new ATOM 0 HG3 LYS A 19 -9.134 -7.177 2.129 1.00 30.12 H new ATOM 0 HD2 LYS A 19 -10.232 -5.404 4.352 1.00 24.42 H new ATOM 0 HD3 LYS A 19 -11.133 -5.883 2.927 1.00 24.42 H new ATOM 0 HE2 LYS A 19 -10.744 -8.306 3.583 1.00 71.35 H new ATOM 0 HE3 LYS A 19 -10.024 -7.735 5.075 1.00 71.35 H new ATOM 0 HZ1 LYS A 19 -12.345 -8.286 5.377 1.00 11.31 H new ATOM 0 HZ2 LYS A 19 -12.106 -6.623 5.623 1.00 11.31 H new ATOM 0 HZ3 LYS A 19 -12.804 -7.177 4.177 1.00 11.31 H new ATOM 319 N VAL A 20 -4.540 -6.013 3.976 1.00 40.12 N ATOM 320 CA VAL A 20 -3.328 -5.999 4.803 1.00 11.20 C ATOM 321 C VAL A 20 -3.305 -4.794 5.758 1.00 32.21 C ATOM 322 O VAL A 20 -3.891 -3.747 5.483 1.00 24.44 O ATOM 323 CB VAL A 20 -2.045 -5.980 3.925 1.00 13.14 C ATOM 324 CG1 VAL A 20 -1.961 -7.237 3.058 1.00 23.51 C ATOM 325 CG2 VAL A 20 -1.992 -4.725 3.056 1.00 3.32 C ATOM 0 H VAL A 20 -4.685 -5.162 3.432 1.00 40.12 H new ATOM 0 HA VAL A 20 -3.345 -6.915 5.394 1.00 11.20 H new ATOM 0 HB VAL A 20 -1.184 -5.965 4.593 1.00 13.14 H new ATOM 0 HG11 VAL A 20 -1.055 -7.201 2.452 1.00 23.51 H new ATOM 0 HG12 VAL A 20 -1.935 -8.119 3.698 1.00 23.51 H new ATOM 0 HG13 VAL A 20 -2.832 -7.288 2.405 1.00 23.51 H new ATOM 0 HG21 VAL A 20 -1.084 -4.738 2.453 1.00 3.32 H new ATOM 0 HG22 VAL A 20 -2.863 -4.699 2.401 1.00 3.32 H new ATOM 0 HG23 VAL A 20 -1.991 -3.841 3.693 1.00 3.32 H new ATOM 335 N ARG A 21 -2.620 -4.956 6.885 1.00 62.35 N ATOM 336 CA ARG A 21 -2.518 -3.908 7.906 1.00 23.34 C ATOM 337 C ARG A 21 -1.173 -3.166 7.819 1.00 43.22 C ATOM 338 O ARG A 21 -0.107 -3.781 7.860 1.00 63.41 O ATOM 339 CB ARG A 21 -2.693 -4.537 9.294 1.00 44.10 C ATOM 340 CG ARG A 21 -2.437 -3.587 10.459 1.00 71.24 C ATOM 341 CD ARG A 21 -2.719 -4.257 11.803 1.00 32.12 C ATOM 342 NE ARG A 21 -2.097 -5.578 11.905 1.00 32.13 N ATOM 343 CZ ARG A 21 -1.376 -5.979 12.913 1.00 73.51 C ATOM 344 NH1 ARG A 21 -1.093 -5.179 13.892 1.00 60.23 N ATOM 345 NH2 ARG A 21 -0.931 -7.192 12.938 1.00 31.11 N ATOM 0 H ARG A 21 -2.120 -5.813 7.120 1.00 62.35 H new ATOM 0 HA ARG A 21 -3.306 -3.175 7.732 1.00 23.34 H new ATOM 0 HB2 ARG A 21 -3.708 -4.927 9.376 1.00 44.10 H new ATOM 0 HB3 ARG A 21 -2.017 -5.388 9.381 1.00 44.10 H new ATOM 0 HG2 ARG A 21 -1.402 -3.247 10.431 1.00 71.24 H new ATOM 0 HG3 ARG A 21 -3.066 -2.703 10.353 1.00 71.24 H new ATOM 0 HD2 ARG A 21 -2.351 -3.621 12.608 1.00 32.12 H new ATOM 0 HD3 ARG A 21 -3.796 -4.353 11.940 1.00 32.12 H new ATOM 0 HE ARG A 21 -2.238 -6.230 11.133 1.00 32.13 H new ATOM 0 HH11 ARG A 21 -1.436 -4.219 13.881 1.00 60.23 H new ATOM 0 HH12 ARG A 21 -0.527 -5.510 14.674 1.00 60.23 H new ATOM 0 HH21 ARG A 21 -1.145 -7.830 12.171 1.00 31.11 H new ATOM 0 HH22 ARG A 21 -0.366 -7.512 13.725 1.00 31.11 H new ATOM 359 N ALA A 22 -1.230 -1.843 7.700 1.00 14.41 N ATOM 360 CA ALA A 22 -0.019 -1.021 7.611 1.00 5.31 C ATOM 361 C ALA A 22 0.675 -0.882 8.972 1.00 12.24 C ATOM 362 O ALA A 22 0.065 -0.445 9.948 1.00 41.25 O ATOM 363 CB ALA A 22 -0.359 0.358 7.062 1.00 72.14 C ATOM 0 H ALA A 22 -2.101 -1.313 7.663 1.00 14.41 H new ATOM 0 HA ALA A 22 0.670 -1.524 6.933 1.00 5.31 H new ATOM 0 HB1 ALA A 22 0.548 0.959 7.001 1.00 72.14 H new ATOM 0 HB2 ALA A 22 -0.795 0.257 6.068 1.00 72.14 H new ATOM 0 HB3 ALA A 22 -1.074 0.847 7.724 1.00 72.14 H new ATOM 369 N ILE A 23 1.954 -1.248 9.034 1.00 23.53 N ATOM 370 CA ILE A 23 2.742 -1.093 10.264 1.00 73.23 C ATOM 371 C ILE A 23 3.575 0.197 10.244 1.00 34.22 C ATOM 372 O ILE A 23 3.897 0.754 11.294 1.00 3.45 O ATOM 373 CB ILE A 23 3.675 -2.311 10.502 1.00 33.13 C ATOM 374 CG1 ILE A 23 4.561 -2.571 9.273 1.00 2.22 C ATOM 375 CG2 ILE A 23 2.849 -3.549 10.843 1.00 65.41 C ATOM 376 CD1 ILE A 23 5.496 -3.757 9.418 1.00 24.42 C ATOM 0 H ILE A 23 2.469 -1.653 8.252 1.00 23.53 H new ATOM 0 HA ILE A 23 2.027 -1.034 11.085 1.00 73.23 H new ATOM 0 HB ILE A 23 4.328 -2.085 11.345 1.00 33.13 H new ATOM 0 HG12 ILE A 23 3.921 -2.732 8.405 1.00 2.22 H new ATOM 0 HG13 ILE A 23 5.153 -1.679 9.071 1.00 2.22 H new ATOM 0 HG21 ILE A 23 3.515 -4.396 11.008 1.00 65.41 H new ATOM 0 HG22 ILE A 23 2.269 -3.362 11.747 1.00 65.41 H new ATOM 0 HG23 ILE A 23 2.173 -3.774 10.018 1.00 65.41 H new ATOM 0 HD11 ILE A 23 6.084 -3.870 8.507 1.00 24.42 H new ATOM 0 HD12 ILE A 23 6.164 -3.592 10.264 1.00 24.42 H new ATOM 0 HD13 ILE A 23 4.912 -4.662 9.587 1.00 24.42 H new ATOM 388 N TYR A 24 3.916 0.677 9.050 1.00 54.40 N ATOM 389 CA TYR A 24 4.695 1.915 8.909 1.00 33.12 C ATOM 390 C TYR A 24 3.987 2.931 8.006 1.00 1.40 C ATOM 391 O TYR A 24 3.259 2.565 7.085 1.00 54.04 O ATOM 392 CB TYR A 24 6.089 1.609 8.352 1.00 63.14 C ATOM 393 CG TYR A 24 6.935 0.749 9.273 1.00 1.32 C ATOM 394 CD1 TYR A 24 7.177 1.149 10.582 1.00 1.23 C ATOM 395 CD2 TYR A 24 7.479 -0.460 8.847 1.00 1.04 C ATOM 396 CE1 TYR A 24 7.932 0.374 11.436 1.00 45.23 C ATOM 397 CE2 TYR A 24 8.236 -1.242 9.700 1.00 5.13 C ATOM 398 CZ TYR A 24 8.458 -0.817 10.993 1.00 53.05 C ATOM 399 OH TYR A 24 9.208 -1.591 11.851 1.00 54.20 O ATOM 0 H TYR A 24 3.668 0.232 8.166 1.00 54.40 H new ATOM 0 HA TYR A 24 4.790 2.355 9.902 1.00 33.12 H new ATOM 0 HB2 TYR A 24 5.985 1.105 7.391 1.00 63.14 H new ATOM 0 HB3 TYR A 24 6.610 2.548 8.164 1.00 63.14 H new ATOM 0 HD1 TYR A 24 6.766 2.083 10.936 1.00 1.23 H new ATOM 0 HD2 TYR A 24 7.307 -0.792 7.834 1.00 1.04 H new ATOM 0 HE1 TYR A 24 8.110 0.701 12.450 1.00 45.23 H new ATOM 0 HE2 TYR A 24 8.650 -2.178 9.356 1.00 5.13 H new ATOM 0 HH TYR A 24 9.506 -2.401 11.386 1.00 54.20 H new ATOM 409 N ASP A 25 4.216 4.212 8.287 1.00 15.21 N ATOM 410 CA ASP A 25 3.603 5.303 7.528 1.00 62.12 C ATOM 411 C ASP A 25 4.402 5.588 6.243 1.00 50.40 C ATOM 412 O ASP A 25 5.636 5.494 6.238 1.00 14.50 O ATOM 413 CB ASP A 25 3.548 6.559 8.407 1.00 23.12 C ATOM 414 CG ASP A 25 2.532 7.575 7.919 1.00 63.43 C ATOM 415 OD1 ASP A 25 2.788 8.241 6.889 1.00 45.21 O ATOM 416 OD2 ASP A 25 1.479 7.712 8.567 1.00 34.13 O ATOM 0 H ASP A 25 4.827 4.523 9.042 1.00 15.21 H new ATOM 0 HA ASP A 25 2.592 5.013 7.240 1.00 62.12 H new ATOM 0 HB2 ASP A 25 3.304 6.271 9.430 1.00 23.12 H new ATOM 0 HB3 ASP A 25 4.534 7.022 8.433 1.00 23.12 H new ATOM 421 N PHE A 26 3.708 5.929 5.160 1.00 1.21 N ATOM 422 CA PHE A 26 4.375 6.208 3.883 1.00 60.43 C ATOM 423 C PHE A 26 3.532 7.109 2.969 1.00 65.12 C ATOM 424 O PHE A 26 2.313 6.946 2.854 1.00 35.43 O ATOM 425 CB PHE A 26 4.706 4.893 3.161 1.00 75.41 C ATOM 426 CG PHE A 26 5.348 5.080 1.807 1.00 41.33 C ATOM 427 CD1 PHE A 26 6.713 5.304 1.693 1.00 35.15 C ATOM 428 CD2 PHE A 26 4.586 5.028 0.647 1.00 54.33 C ATOM 429 CE1 PHE A 26 7.302 5.472 0.455 1.00 71.01 C ATOM 430 CE2 PHE A 26 5.170 5.195 -0.594 1.00 15.41 C ATOM 431 CZ PHE A 26 6.529 5.418 -0.690 1.00 73.34 C ATOM 0 H PHE A 26 2.692 6.019 5.136 1.00 1.21 H new ATOM 0 HA PHE A 26 5.296 6.745 4.111 1.00 60.43 H new ATOM 0 HB2 PHE A 26 5.373 4.303 3.790 1.00 75.41 H new ATOM 0 HB3 PHE A 26 3.789 4.316 3.040 1.00 75.41 H new ATOM 0 HD1 PHE A 26 7.322 5.347 2.584 1.00 35.15 H new ATOM 0 HD2 PHE A 26 3.522 4.855 0.716 1.00 54.33 H new ATOM 0 HE1 PHE A 26 8.365 5.645 0.381 1.00 71.01 H new ATOM 0 HE2 PHE A 26 4.564 5.151 -1.487 1.00 15.41 H new ATOM 0 HZ PHE A 26 6.988 5.550 -1.659 1.00 73.34 H new ATOM 441 N GLU A 27 4.200 8.066 2.332 1.00 71.01 N ATOM 442 CA GLU A 27 3.588 8.894 1.297 1.00 5.10 C ATOM 443 C GLU A 27 4.256 8.620 -0.060 1.00 4.44 C ATOM 444 O GLU A 27 5.472 8.430 -0.134 1.00 62.22 O ATOM 445 CB GLU A 27 3.714 10.379 1.656 1.00 53.23 C ATOM 446 CG GLU A 27 3.011 11.299 0.668 1.00 70.22 C ATOM 447 CD GLU A 27 3.288 12.767 0.930 1.00 1.40 C ATOM 448 OE1 GLU A 27 4.355 13.252 0.499 1.00 1.45 O ATOM 449 OE2 GLU A 27 2.440 13.445 1.549 1.00 34.03 O ATOM 0 H GLU A 27 5.178 8.289 2.518 1.00 71.01 H new ATOM 0 HA GLU A 27 2.530 8.642 1.229 1.00 5.10 H new ATOM 0 HB2 GLU A 27 3.300 10.541 2.651 1.00 53.23 H new ATOM 0 HB3 GLU A 27 4.770 10.646 1.703 1.00 53.23 H new ATOM 0 HG2 GLU A 27 3.330 11.049 -0.344 1.00 70.22 H new ATOM 0 HG3 GLU A 27 1.936 11.123 0.716 1.00 70.22 H new ATOM 456 N ALA A 28 3.460 8.597 -1.127 1.00 21.00 N ATOM 457 CA ALA A 28 3.955 8.271 -2.472 1.00 54.42 C ATOM 458 C ALA A 28 5.199 9.088 -2.868 1.00 32.23 C ATOM 459 O ALA A 28 5.187 10.323 -2.839 1.00 65.14 O ATOM 460 CB ALA A 28 2.842 8.482 -3.491 1.00 61.32 C ATOM 0 H ALA A 28 2.461 8.801 -1.090 1.00 21.00 H new ATOM 0 HA ALA A 28 4.260 7.225 -2.459 1.00 54.42 H new ATOM 0 HB1 ALA A 28 3.211 8.240 -4.488 1.00 61.32 H new ATOM 0 HB2 ALA A 28 1.999 7.835 -3.249 1.00 61.32 H new ATOM 0 HB3 ALA A 28 2.519 9.523 -3.467 1.00 61.32 H new ATOM 466 N ALA A 29 6.276 8.385 -3.226 1.00 62.11 N ATOM 467 CA ALA A 29 7.502 9.023 -3.712 1.00 45.11 C ATOM 468 C ALA A 29 7.446 9.202 -5.236 1.00 63.54 C ATOM 469 O ALA A 29 7.871 10.226 -5.775 1.00 2.12 O ATOM 470 CB ALA A 29 8.721 8.194 -3.314 1.00 3.32 C ATOM 0 H ALA A 29 6.324 7.367 -3.188 1.00 62.11 H new ATOM 0 HA ALA A 29 7.588 10.009 -3.254 1.00 45.11 H new ATOM 0 HB1 ALA A 29 9.626 8.678 -3.681 1.00 3.32 H new ATOM 0 HB2 ALA A 29 8.767 8.113 -2.228 1.00 3.32 H new ATOM 0 HB3 ALA A 29 8.641 7.198 -3.749 1.00 3.32 H new ATOM 476 N GLU A 30 6.921 8.191 -5.923 1.00 23.34 N ATOM 477 CA GLU A 30 6.687 8.262 -7.368 1.00 50.12 C ATOM 478 C GLU A 30 5.192 8.474 -7.674 1.00 35.11 C ATOM 479 O GLU A 30 4.357 8.522 -6.765 1.00 64.22 O ATOM 480 CB GLU A 30 7.207 6.995 -8.066 1.00 11.13 C ATOM 481 CG GLU A 30 8.719 6.811 -7.965 1.00 0.31 C ATOM 482 CD GLU A 30 9.216 5.589 -8.724 1.00 12.11 C ATOM 483 OE1 GLU A 30 9.335 5.658 -9.966 1.00 4.02 O ATOM 484 OE2 GLU A 30 9.480 4.546 -8.089 1.00 24.23 O ATOM 0 H GLU A 30 6.646 7.304 -5.500 1.00 23.34 H new ATOM 0 HA GLU A 30 7.238 9.119 -7.756 1.00 50.12 H new ATOM 0 HB2 GLU A 30 6.715 6.125 -7.632 1.00 11.13 H new ATOM 0 HB3 GLU A 30 6.924 7.029 -9.118 1.00 11.13 H new ATOM 0 HG2 GLU A 30 9.215 7.701 -8.353 1.00 0.31 H new ATOM 0 HG3 GLU A 30 9.000 6.721 -6.916 1.00 0.31 H new ATOM 491 N ASP A 31 4.859 8.607 -8.955 1.00 43.11 N ATOM 492 CA ASP A 31 3.495 8.951 -9.376 1.00 74.12 C ATOM 493 C ASP A 31 2.496 7.784 -9.220 1.00 50.22 C ATOM 494 O ASP A 31 1.308 8.013 -8.976 1.00 33.41 O ATOM 495 CB ASP A 31 3.520 9.444 -10.824 1.00 31.42 C ATOM 496 CG ASP A 31 4.440 10.640 -10.993 1.00 23.33 C ATOM 497 OD1 ASP A 31 3.986 11.787 -10.787 1.00 61.13 O ATOM 498 OD2 ASP A 31 5.633 10.440 -11.308 1.00 4.34 O ATOM 0 H ASP A 31 5.515 8.482 -9.726 1.00 43.11 H new ATOM 0 HA ASP A 31 3.142 9.742 -8.714 1.00 74.12 H new ATOM 0 HB2 ASP A 31 3.849 8.636 -11.478 1.00 31.42 H new ATOM 0 HB3 ASP A 31 2.511 9.714 -11.134 1.00 31.42 H new ATOM 503 N ASN A 32 2.965 6.542 -9.359 1.00 31.21 N ATOM 504 CA ASN A 32 2.070 5.368 -9.322 1.00 15.31 C ATOM 505 C ASN A 32 2.029 4.694 -7.939 1.00 71.05 C ATOM 506 O ASN A 32 1.506 3.590 -7.801 1.00 55.44 O ATOM 507 CB ASN A 32 2.489 4.331 -10.378 1.00 24.43 C ATOM 508 CG ASN A 32 2.369 4.852 -11.800 1.00 40.03 C ATOM 509 OD1 ASN A 32 2.572 6.035 -12.063 1.00 35.41 O ATOM 510 ND2 ASN A 32 2.025 3.982 -12.728 1.00 24.21 N ATOM 0 H ASN A 32 3.950 6.317 -9.497 1.00 31.21 H new ATOM 0 HA ASN A 32 1.069 5.740 -9.542 1.00 15.31 H new ATOM 0 HB2 ASN A 32 3.520 4.028 -10.193 1.00 24.43 H new ATOM 0 HB3 ASN A 32 1.871 3.440 -10.270 1.00 24.43 H new ATOM 0 HD21 ASN A 32 1.920 4.284 -13.697 1.00 24.21 H new ATOM 0 HD22 ASN A 32 1.863 3.006 -12.478 1.00 24.21 H new ATOM 517 N GLU A 33 2.553 5.360 -6.914 1.00 35.54 N ATOM 518 CA GLU A 33 2.603 4.772 -5.565 1.00 14.22 C ATOM 519 C GLU A 33 1.411 5.200 -4.688 1.00 13.44 C ATOM 520 O GLU A 33 0.699 6.157 -5.001 1.00 64.34 O ATOM 521 CB GLU A 33 3.929 5.118 -4.879 1.00 11.45 C ATOM 522 CG GLU A 33 5.144 4.634 -5.663 1.00 30.11 C ATOM 523 CD GLU A 33 6.445 4.739 -4.888 1.00 3.21 C ATOM 524 OE1 GLU A 33 6.700 5.804 -4.289 1.00 14.21 O ATOM 525 OE2 GLU A 33 7.227 3.763 -4.901 1.00 42.44 O ATOM 0 H GLU A 33 2.947 6.298 -6.983 1.00 35.54 H new ATOM 0 HA GLU A 33 2.534 3.691 -5.686 1.00 14.22 H new ATOM 0 HB2 GLU A 33 3.994 6.198 -4.748 1.00 11.45 H new ATOM 0 HB3 GLU A 33 3.944 4.674 -3.883 1.00 11.45 H new ATOM 0 HG2 GLU A 33 4.988 3.596 -5.956 1.00 30.11 H new ATOM 0 HG3 GLU A 33 5.229 5.215 -6.581 1.00 30.11 H new ATOM 532 N LEU A 34 1.199 4.472 -3.592 1.00 43.21 N ATOM 533 CA LEU A 34 0.042 4.702 -2.714 1.00 31.41 C ATOM 534 C LEU A 34 0.445 5.423 -1.409 1.00 74.52 C ATOM 535 O LEU A 34 1.399 5.031 -0.737 1.00 64.13 O ATOM 536 CB LEU A 34 -0.630 3.352 -2.381 1.00 74.02 C ATOM 537 CG LEU A 34 -2.169 3.361 -2.259 1.00 1.25 C ATOM 538 CD1 LEU A 34 -2.671 1.996 -1.801 1.00 54.15 C ATOM 539 CD2 LEU A 34 -2.658 4.457 -1.312 1.00 53.21 C ATOM 0 H LEU A 34 1.812 3.716 -3.287 1.00 43.21 H new ATOM 0 HA LEU A 34 -0.659 5.347 -3.244 1.00 31.41 H new ATOM 0 HB2 LEU A 34 -0.353 2.633 -3.152 1.00 74.02 H new ATOM 0 HB3 LEU A 34 -0.215 2.987 -1.441 1.00 74.02 H new ATOM 0 HG LEU A 34 -2.577 3.577 -3.246 1.00 1.25 H new ATOM 0 HD11 LEU A 34 -3.758 2.017 -1.719 1.00 54.15 H new ATOM 0 HD12 LEU A 34 -2.376 1.238 -2.526 1.00 54.15 H new ATOM 0 HD13 LEU A 34 -2.239 1.756 -0.830 1.00 54.15 H new ATOM 0 HD21 LEU A 34 -3.746 4.429 -1.254 1.00 53.21 H new ATOM 0 HD22 LEU A 34 -2.238 4.295 -0.320 1.00 53.21 H new ATOM 0 HD23 LEU A 34 -2.339 5.430 -1.686 1.00 53.21 H new ATOM 551 N THR A 35 -0.301 6.469 -1.059 1.00 54.42 N ATOM 552 CA THR A 35 -0.112 7.183 0.213 1.00 55.53 C ATOM 553 C THR A 35 -1.131 6.726 1.268 1.00 14.41 C ATOM 554 O THR A 35 -2.335 6.716 1.009 1.00 40.04 O ATOM 555 CB THR A 35 -0.262 8.714 0.027 1.00 62.34 C ATOM 556 OG1 THR A 35 0.718 9.195 -0.904 1.00 64.32 O ATOM 557 CG2 THR A 35 -0.114 9.459 1.353 1.00 70.33 C ATOM 0 H THR A 35 -1.049 6.847 -1.640 1.00 54.42 H new ATOM 0 HA THR A 35 0.897 6.950 0.552 1.00 55.53 H new ATOM 0 HB THR A 35 -1.263 8.903 -0.360 1.00 62.34 H new ATOM 0 HG1 THR A 35 0.615 10.163 -1.017 1.00 64.32 H new ATOM 0 HG21 THR A 35 -0.225 10.530 1.183 1.00 70.33 H new ATOM 0 HG22 THR A 35 -0.882 9.120 2.048 1.00 70.33 H new ATOM 0 HG23 THR A 35 0.871 9.259 1.775 1.00 70.33 H new ATOM 565 N PHE A 36 -0.653 6.353 2.456 1.00 30.30 N ATOM 566 CA PHE A 36 -1.543 5.983 3.569 1.00 52.01 C ATOM 567 C PHE A 36 -0.816 6.031 4.921 1.00 2.25 C ATOM 568 O PHE A 36 0.414 5.972 4.985 1.00 1.03 O ATOM 569 CB PHE A 36 -2.170 4.595 3.344 1.00 65.44 C ATOM 570 CG PHE A 36 -1.173 3.482 3.114 1.00 0.33 C ATOM 571 CD1 PHE A 36 -0.552 2.849 4.184 1.00 72.51 C ATOM 572 CD2 PHE A 36 -0.866 3.059 1.828 1.00 54.23 C ATOM 573 CE1 PHE A 36 0.349 1.823 3.972 1.00 35.10 C ATOM 574 CE2 PHE A 36 0.034 2.037 1.613 1.00 13.15 C ATOM 575 CZ PHE A 36 0.640 1.418 2.686 1.00 15.21 C ATOM 0 H PHE A 36 0.341 6.298 2.677 1.00 30.30 H new ATOM 0 HA PHE A 36 -2.344 6.722 3.595 1.00 52.01 H new ATOM 0 HB2 PHE A 36 -2.782 4.343 4.210 1.00 65.44 H new ATOM 0 HB3 PHE A 36 -2.839 4.648 2.485 1.00 65.44 H new ATOM 0 HD1 PHE A 36 -0.776 3.163 5.193 1.00 72.51 H new ATOM 0 HD2 PHE A 36 -1.339 3.538 0.983 1.00 54.23 H new ATOM 0 HE1 PHE A 36 0.825 1.339 4.812 1.00 35.10 H new ATOM 0 HE2 PHE A 36 0.264 1.722 0.606 1.00 13.15 H new ATOM 0 HZ PHE A 36 1.343 0.615 2.519 1.00 15.21 H new ATOM 585 N LYS A 37 -1.594 6.134 5.997 1.00 30.12 N ATOM 586 CA LYS A 37 -1.053 6.255 7.356 1.00 21.21 C ATOM 587 C LYS A 37 -0.814 4.890 8.021 1.00 63.33 C ATOM 588 O LYS A 37 -1.418 3.880 7.653 1.00 44.31 O ATOM 589 CB LYS A 37 -2.000 7.111 8.220 1.00 0.14 C ATOM 590 CG LYS A 37 -1.686 8.610 8.189 1.00 14.22 C ATOM 591 CD LYS A 37 -1.460 9.128 6.770 1.00 35.44 C ATOM 592 CE LYS A 37 -1.050 10.596 6.762 1.00 4.13 C ATOM 593 NZ LYS A 37 -0.509 11.006 5.441 1.00 12.23 N ATOM 0 H LYS A 37 -2.613 6.136 5.956 1.00 30.12 H new ATOM 0 HA LYS A 37 -0.081 6.743 7.277 1.00 21.21 H new ATOM 0 HB2 LYS A 37 -3.024 6.957 7.880 1.00 0.14 H new ATOM 0 HB3 LYS A 37 -1.951 6.761 9.251 1.00 0.14 H new ATOM 0 HG2 LYS A 37 -2.508 9.160 8.647 1.00 14.22 H new ATOM 0 HG3 LYS A 37 -0.798 8.805 8.790 1.00 14.22 H new ATOM 0 HD2 LYS A 37 -0.687 8.532 6.284 1.00 35.44 H new ATOM 0 HD3 LYS A 37 -2.373 9.002 6.187 1.00 35.44 H new ATOM 0 HE2 LYS A 37 -1.911 11.216 7.011 1.00 4.13 H new ATOM 0 HE3 LYS A 37 -0.299 10.769 7.533 1.00 4.13 H new ATOM 0 HZ1 LYS A 37 -0.240 12.010 5.472 1.00 12.23 H new ATOM 0 HZ2 LYS A 37 0.327 10.431 5.215 1.00 12.23 H new ATOM 0 HZ3 LYS A 37 -1.235 10.864 4.710 1.00 12.23 H new ATOM 607 N ALA A 38 0.075 4.876 9.012 1.00 43.55 N ATOM 608 CA ALA A 38 0.361 3.659 9.778 1.00 63.42 C ATOM 609 C ALA A 38 -0.853 3.231 10.616 1.00 74.31 C ATOM 610 O ALA A 38 -1.474 4.055 11.290 1.00 31.40 O ATOM 611 CB ALA A 38 1.571 3.877 10.678 1.00 71.04 C ATOM 0 H ALA A 38 0.611 5.693 9.305 1.00 43.55 H new ATOM 0 HA ALA A 38 0.581 2.859 9.071 1.00 63.42 H new ATOM 0 HB1 ALA A 38 1.774 2.967 11.242 1.00 71.04 H new ATOM 0 HB2 ALA A 38 2.439 4.126 10.067 1.00 71.04 H new ATOM 0 HB3 ALA A 38 1.367 4.694 11.370 1.00 71.04 H new ATOM 617 N GLY A 39 -1.181 1.942 10.576 1.00 45.02 N ATOM 618 CA GLY A 39 -2.331 1.427 11.321 1.00 54.43 C ATOM 619 C GLY A 39 -3.587 1.272 10.465 1.00 43.32 C ATOM 620 O GLY A 39 -4.596 0.735 10.923 1.00 21.04 O ATOM 0 H GLY A 39 -0.672 1.238 10.041 1.00 45.02 H new ATOM 0 HA2 GLY A 39 -2.072 0.460 11.752 1.00 54.43 H new ATOM 0 HA3 GLY A 39 -2.547 2.099 12.152 1.00 54.43 H new ATOM 624 N GLU A 40 -3.526 1.746 9.221 1.00 13.12 N ATOM 625 CA GLU A 40 -4.664 1.651 8.295 1.00 33.24 C ATOM 626 C GLU A 40 -4.752 0.266 7.627 1.00 73.13 C ATOM 627 O GLU A 40 -3.789 -0.506 7.625 1.00 62.30 O ATOM 628 CB GLU A 40 -4.563 2.738 7.213 1.00 24.43 C ATOM 629 CG GLU A 40 -4.624 4.167 7.749 1.00 3.33 C ATOM 630 CD GLU A 40 -5.928 4.478 8.471 1.00 63.10 C ATOM 631 OE1 GLU A 40 -7.000 4.055 7.988 1.00 61.24 O ATOM 632 OE2 GLU A 40 -5.891 5.157 9.520 1.00 52.25 O ATOM 0 H GLU A 40 -2.702 2.201 8.827 1.00 13.12 H new ATOM 0 HA GLU A 40 -5.570 1.799 8.883 1.00 33.24 H new ATOM 0 HB2 GLU A 40 -3.628 2.606 6.669 1.00 24.43 H new ATOM 0 HB3 GLU A 40 -5.372 2.597 6.496 1.00 24.43 H new ATOM 0 HG2 GLU A 40 -3.790 4.329 8.432 1.00 3.33 H new ATOM 0 HG3 GLU A 40 -4.498 4.865 6.921 1.00 3.33 H new ATOM 639 N ILE A 41 -5.919 -0.040 7.059 1.00 72.32 N ATOM 640 CA ILE A 41 -6.129 -1.299 6.331 1.00 13.02 C ATOM 641 C ILE A 41 -6.131 -1.061 4.810 1.00 34.23 C ATOM 642 O ILE A 41 -6.965 -0.315 4.286 1.00 63.42 O ATOM 643 CB ILE A 41 -7.462 -1.980 6.744 1.00 12.01 C ATOM 644 CG1 ILE A 41 -7.487 -2.243 8.263 1.00 34.13 C ATOM 645 CG2 ILE A 41 -7.671 -3.279 5.965 1.00 2.21 C ATOM 646 CD1 ILE A 41 -6.380 -3.159 8.752 1.00 2.43 C ATOM 0 H ILE A 41 -6.738 0.567 7.088 1.00 72.32 H new ATOM 0 HA ILE A 41 -5.302 -1.960 6.592 1.00 13.02 H new ATOM 0 HB ILE A 41 -8.282 -1.304 6.500 1.00 12.01 H new ATOM 0 HG12 ILE A 41 -7.413 -1.290 8.787 1.00 34.13 H new ATOM 0 HG13 ILE A 41 -8.449 -2.680 8.529 1.00 34.13 H new ATOM 0 HG21 ILE A 41 -8.611 -3.739 6.270 1.00 2.21 H new ATOM 0 HG22 ILE A 41 -7.703 -3.062 4.897 1.00 2.21 H new ATOM 0 HG23 ILE A 41 -6.848 -3.963 6.171 1.00 2.21 H new ATOM 0 HD11 ILE A 41 -6.468 -3.293 9.830 1.00 2.43 H new ATOM 0 HD12 ILE A 41 -6.464 -4.127 8.258 1.00 2.43 H new ATOM 0 HD13 ILE A 41 -5.412 -2.716 8.520 1.00 2.43 H new ATOM 658 N ILE A 42 -5.192 -1.691 4.106 1.00 3.10 N ATOM 659 CA ILE A 42 -5.068 -1.536 2.655 1.00 44.22 C ATOM 660 C ILE A 42 -5.578 -2.784 1.918 1.00 53.24 C ATOM 661 O ILE A 42 -5.062 -3.886 2.116 1.00 64.33 O ATOM 662 CB ILE A 42 -3.594 -1.278 2.220 1.00 64.22 C ATOM 663 CG1 ILE A 42 -3.014 -0.028 2.912 1.00 42.41 C ATOM 664 CG2 ILE A 42 -3.495 -1.139 0.699 1.00 74.33 C ATOM 665 CD1 ILE A 42 -2.649 -0.230 4.372 1.00 4.23 C ATOM 0 H ILE A 42 -4.501 -2.318 4.519 1.00 3.10 H new ATOM 0 HA ILE A 42 -5.676 -0.671 2.389 1.00 44.22 H new ATOM 0 HB ILE A 42 -3.003 -2.139 2.531 1.00 64.22 H new ATOM 0 HG12 ILE A 42 -2.125 0.293 2.369 1.00 42.41 H new ATOM 0 HG13 ILE A 42 -3.740 0.781 2.841 1.00 42.41 H new ATOM 0 HG21 ILE A 42 -2.458 -0.959 0.417 1.00 74.33 H new ATOM 0 HG22 ILE A 42 -3.846 -2.056 0.226 1.00 74.33 H new ATOM 0 HG23 ILE A 42 -4.111 -0.302 0.369 1.00 74.33 H new ATOM 0 HD11 ILE A 42 -2.249 0.699 4.779 1.00 4.23 H new ATOM 0 HD12 ILE A 42 -3.538 -0.519 4.933 1.00 4.23 H new ATOM 0 HD13 ILE A 42 -1.897 -1.015 4.454 1.00 4.23 H new ATOM 677 N THR A 43 -6.593 -2.612 1.080 1.00 3.11 N ATOM 678 CA THR A 43 -7.085 -3.707 0.235 1.00 70.24 C ATOM 679 C THR A 43 -6.291 -3.764 -1.074 1.00 42.54 C ATOM 680 O THR A 43 -6.427 -2.885 -1.926 1.00 2.51 O ATOM 681 CB THR A 43 -8.591 -3.538 -0.097 1.00 71.33 C ATOM 682 OG1 THR A 43 -9.354 -3.386 1.108 1.00 41.12 O ATOM 683 CG2 THR A 43 -9.123 -4.732 -0.885 1.00 41.21 C ATOM 0 H THR A 43 -7.093 -1.731 0.963 1.00 3.11 H new ATOM 0 HA THR A 43 -6.952 -4.634 0.793 1.00 70.24 H new ATOM 0 HB THR A 43 -8.694 -2.643 -0.710 1.00 71.33 H new ATOM 0 HG1 THR A 43 -10.302 -3.279 0.884 1.00 41.12 H new ATOM 0 HG21 THR A 43 -10.181 -4.583 -1.102 1.00 41.21 H new ATOM 0 HG22 THR A 43 -8.571 -4.826 -1.820 1.00 41.21 H new ATOM 0 HG23 THR A 43 -8.998 -5.641 -0.297 1.00 41.21 H new ATOM 691 N VAL A 44 -5.452 -4.784 -1.235 1.00 41.41 N ATOM 692 CA VAL A 44 -4.632 -4.897 -2.445 1.00 34.20 C ATOM 693 C VAL A 44 -5.451 -5.449 -3.625 1.00 42.04 C ATOM 694 O VAL A 44 -6.042 -6.527 -3.546 1.00 43.42 O ATOM 695 CB VAL A 44 -3.356 -5.756 -2.215 1.00 52.33 C ATOM 696 CG1 VAL A 44 -3.703 -7.195 -1.864 1.00 24.44 C ATOM 697 CG2 VAL A 44 -2.434 -5.703 -3.434 1.00 72.31 C ATOM 0 H VAL A 44 -5.320 -5.535 -0.557 1.00 41.41 H new ATOM 0 HA VAL A 44 -4.304 -3.888 -2.695 1.00 34.20 H new ATOM 0 HB VAL A 44 -2.825 -5.328 -1.364 1.00 52.33 H new ATOM 0 HG11 VAL A 44 -2.786 -7.763 -1.711 1.00 24.44 H new ATOM 0 HG12 VAL A 44 -4.298 -7.213 -0.951 1.00 24.44 H new ATOM 0 HG13 VAL A 44 -4.274 -7.641 -2.678 1.00 24.44 H new ATOM 0 HG21 VAL A 44 -1.549 -6.312 -3.248 1.00 72.31 H new ATOM 0 HG22 VAL A 44 -2.962 -6.088 -4.307 1.00 72.31 H new ATOM 0 HG23 VAL A 44 -2.133 -4.672 -3.618 1.00 72.31 H new ATOM 707 N LEU A 45 -5.498 -4.688 -4.713 1.00 51.13 N ATOM 708 CA LEU A 45 -6.290 -5.054 -5.890 1.00 10.12 C ATOM 709 C LEU A 45 -5.458 -5.875 -6.884 1.00 22.40 C ATOM 710 O LEU A 45 -6.006 -6.586 -7.727 1.00 70.44 O ATOM 711 CB LEU A 45 -6.824 -3.783 -6.569 1.00 2.45 C ATOM 712 CG LEU A 45 -7.635 -2.844 -5.658 1.00 73.11 C ATOM 713 CD1 LEU A 45 -8.078 -1.599 -6.425 1.00 4.21 C ATOM 714 CD2 LEU A 45 -8.842 -3.567 -5.064 1.00 60.33 C ATOM 0 H LEU A 45 -4.994 -3.806 -4.808 1.00 51.13 H new ATOM 0 HA LEU A 45 -7.127 -5.671 -5.564 1.00 10.12 H new ATOM 0 HB2 LEU A 45 -5.980 -3.227 -6.978 1.00 2.45 H new ATOM 0 HB3 LEU A 45 -7.451 -4.076 -7.411 1.00 2.45 H new ATOM 0 HG LEU A 45 -6.990 -2.531 -4.837 1.00 73.11 H new ATOM 0 HD11 LEU A 45 -8.650 -0.948 -5.763 1.00 4.21 H new ATOM 0 HD12 LEU A 45 -7.201 -1.065 -6.790 1.00 4.21 H new ATOM 0 HD13 LEU A 45 -8.700 -1.894 -7.270 1.00 4.21 H new ATOM 0 HD21 LEU A 45 -9.398 -2.882 -4.424 1.00 60.33 H new ATOM 0 HD22 LEU A 45 -9.488 -3.918 -5.869 1.00 60.33 H new ATOM 0 HD23 LEU A 45 -8.502 -4.418 -4.474 1.00 60.33 H new ATOM 726 N ASP A 46 -4.136 -5.772 -6.776 1.00 50.34 N ATOM 727 CA ASP A 46 -3.230 -6.474 -7.687 1.00 31.03 C ATOM 728 C ASP A 46 -1.879 -6.781 -7.016 1.00 63.43 C ATOM 729 O ASP A 46 -1.013 -5.913 -6.917 1.00 24.55 O ATOM 730 CB ASP A 46 -3.018 -5.627 -8.951 1.00 11.12 C ATOM 731 CG ASP A 46 -2.130 -6.307 -9.978 1.00 25.32 C ATOM 732 OD1 ASP A 46 -2.656 -7.053 -10.823 1.00 40.21 O ATOM 733 OD2 ASP A 46 -0.900 -6.089 -9.951 1.00 73.24 O ATOM 0 H ASP A 46 -3.666 -5.209 -6.067 1.00 50.34 H new ATOM 0 HA ASP A 46 -3.685 -7.427 -7.957 1.00 31.03 H new ATOM 0 HB2 ASP A 46 -3.986 -5.410 -9.403 1.00 11.12 H new ATOM 0 HB3 ASP A 46 -2.575 -4.671 -8.671 1.00 11.12 H new ATOM 738 N ASP A 47 -1.716 -8.012 -6.533 1.00 40.05 N ATOM 739 CA ASP A 47 -0.420 -8.476 -6.015 1.00 50.11 C ATOM 740 C ASP A 47 0.287 -9.375 -7.049 1.00 42.33 C ATOM 741 O ASP A 47 1.097 -10.235 -6.703 1.00 2.44 O ATOM 742 CB ASP A 47 -0.603 -9.212 -4.674 1.00 65.12 C ATOM 743 CG ASP A 47 -1.580 -10.380 -4.747 1.00 64.44 C ATOM 744 OD1 ASP A 47 -1.208 -11.452 -5.267 1.00 65.05 O ATOM 745 OD2 ASP A 47 -2.722 -10.238 -4.261 1.00 12.04 O ATOM 0 H ASP A 47 -2.460 -8.708 -6.488 1.00 40.05 H new ATOM 0 HA ASP A 47 0.212 -7.606 -5.837 1.00 50.11 H new ATOM 0 HB2 ASP A 47 0.366 -9.580 -4.336 1.00 65.12 H new ATOM 0 HB3 ASP A 47 -0.953 -8.502 -3.925 1.00 65.12 H new ATOM 750 N SER A 48 0.002 -9.122 -8.331 1.00 23.24 N ATOM 751 CA SER A 48 0.497 -9.959 -9.443 1.00 44.43 C ATOM 752 C SER A 48 2.015 -10.187 -9.394 1.00 71.41 C ATOM 753 O SER A 48 2.513 -11.190 -9.910 1.00 54.14 O ATOM 754 CB SER A 48 0.139 -9.324 -10.792 1.00 33.33 C ATOM 755 OG SER A 48 0.824 -8.093 -10.983 1.00 0.32 O ATOM 0 H SER A 48 -0.575 -8.337 -8.632 1.00 23.24 H new ATOM 0 HA SER A 48 0.009 -10.927 -9.332 1.00 44.43 H new ATOM 0 HB2 SER A 48 0.392 -10.012 -11.599 1.00 33.33 H new ATOM 0 HB3 SER A 48 -0.937 -9.155 -10.843 1.00 33.33 H new ATOM 0 HG SER A 48 0.273 -7.356 -10.645 1.00 0.32 H new ATOM 761 N ASP A 49 2.748 -9.255 -8.793 1.00 70.04 N ATOM 762 CA ASP A 49 4.202 -9.380 -8.664 1.00 22.31 C ATOM 763 C ASP A 49 4.633 -9.264 -7.189 1.00 21.24 C ATOM 764 O ASP A 49 4.231 -8.333 -6.495 1.00 10.41 O ATOM 765 CB ASP A 49 4.900 -8.307 -9.508 1.00 62.50 C ATOM 766 CG ASP A 49 6.402 -8.517 -9.575 1.00 10.34 C ATOM 767 OD1 ASP A 49 6.867 -9.242 -10.479 1.00 23.22 O ATOM 768 OD2 ASP A 49 7.125 -7.970 -8.717 1.00 42.12 O ATOM 0 H ASP A 49 2.362 -8.403 -8.386 1.00 70.04 H new ATOM 0 HA ASP A 49 4.497 -10.364 -9.028 1.00 22.31 H new ATOM 0 HB2 ASP A 49 4.488 -8.316 -10.517 1.00 62.50 H new ATOM 0 HB3 ASP A 49 4.691 -7.323 -9.087 1.00 62.50 H new ATOM 773 N PRO A 50 5.473 -10.202 -6.697 1.00 71.05 N ATOM 774 CA PRO A 50 5.908 -10.224 -5.284 1.00 13.43 C ATOM 775 C PRO A 50 6.575 -8.913 -4.827 1.00 64.34 C ATOM 776 O PRO A 50 6.571 -8.590 -3.637 1.00 70.01 O ATOM 777 CB PRO A 50 6.916 -11.393 -5.230 1.00 72.50 C ATOM 778 CG PRO A 50 7.282 -11.659 -6.654 1.00 40.42 C ATOM 779 CD PRO A 50 6.065 -11.313 -7.462 1.00 13.44 C ATOM 0 HA PRO A 50 5.057 -10.341 -4.613 1.00 13.43 H new ATOM 0 HB2 PRO A 50 7.794 -11.129 -4.640 1.00 72.50 H new ATOM 0 HB3 PRO A 50 6.473 -12.274 -4.766 1.00 72.50 H new ATOM 0 HG2 PRO A 50 8.137 -11.055 -6.957 1.00 40.42 H new ATOM 0 HG3 PRO A 50 7.562 -12.703 -6.797 1.00 40.42 H new ATOM 0 HD2 PRO A 50 6.325 -11.012 -8.477 1.00 13.44 H new ATOM 0 HD3 PRO A 50 5.381 -12.157 -7.545 1.00 13.44 H new ATOM 787 N ASN A 51 7.145 -8.160 -5.770 1.00 24.22 N ATOM 788 CA ASN A 51 7.813 -6.890 -5.448 1.00 15.14 C ATOM 789 C ASN A 51 6.835 -5.706 -5.507 1.00 22.41 C ATOM 790 O ASN A 51 6.959 -4.744 -4.748 1.00 20.01 O ATOM 791 CB ASN A 51 8.968 -6.635 -6.424 1.00 33.42 C ATOM 792 CG ASN A 51 9.949 -7.790 -6.487 1.00 74.32 C ATOM 793 OD1 ASN A 51 10.921 -7.843 -5.738 1.00 62.35 O ATOM 794 ND2 ASN A 51 9.707 -8.721 -7.389 1.00 14.21 N ATOM 0 H ASN A 51 7.159 -8.403 -6.760 1.00 24.22 H new ATOM 0 HA ASN A 51 8.197 -6.973 -4.431 1.00 15.14 H new ATOM 0 HB2 ASN A 51 8.563 -6.453 -7.420 1.00 33.42 H new ATOM 0 HB3 ASN A 51 9.497 -5.730 -6.125 1.00 33.42 H new ATOM 0 HD21 ASN A 51 10.337 -9.518 -7.481 1.00 14.21 H new ATOM 0 HD22 ASN A 51 8.890 -8.644 -7.994 1.00 14.21 H new ATOM 801 N TRP A 52 5.853 -5.786 -6.402 1.00 63.51 N ATOM 802 CA TRP A 52 4.943 -4.665 -6.659 1.00 12.21 C ATOM 803 C TRP A 52 3.487 -5.002 -6.306 1.00 24.11 C ATOM 804 O TRP A 52 2.776 -5.647 -7.078 1.00 44.31 O ATOM 805 CB TRP A 52 5.047 -4.234 -8.128 1.00 13.21 C ATOM 806 CG TRP A 52 6.409 -3.715 -8.495 1.00 42.34 C ATOM 807 CD1 TRP A 52 7.444 -4.420 -9.048 1.00 62.21 C ATOM 808 CD2 TRP A 52 6.887 -2.377 -8.317 1.00 63.35 C ATOM 809 NE1 TRP A 52 8.530 -3.598 -9.227 1.00 74.24 N ATOM 810 CE2 TRP A 52 8.213 -2.340 -8.787 1.00 33.32 C ATOM 811 CE3 TRP A 52 6.320 -1.208 -7.809 1.00 72.14 C ATOM 812 CZ2 TRP A 52 8.979 -1.177 -8.764 1.00 21.11 C ATOM 813 CZ3 TRP A 52 7.081 -0.053 -7.785 1.00 72.34 C ATOM 814 CH2 TRP A 52 8.396 -0.045 -8.260 1.00 21.53 C ATOM 0 H TRP A 52 5.664 -6.616 -6.964 1.00 63.51 H new ATOM 0 HA TRP A 52 5.247 -3.842 -6.012 1.00 12.21 H new ATOM 0 HB2 TRP A 52 4.804 -5.082 -8.767 1.00 13.21 H new ATOM 0 HB3 TRP A 52 4.304 -3.461 -8.327 1.00 13.21 H new ATOM 0 HD1 TRP A 52 7.412 -5.468 -9.306 1.00 62.21 H new ATOM 0 HE1 TRP A 52 9.427 -3.879 -9.623 1.00 74.24 H new ATOM 0 HE3 TRP A 52 5.305 -1.205 -7.441 1.00 72.14 H new ATOM 0 HZ2 TRP A 52 9.995 -1.168 -9.130 1.00 21.11 H new ATOM 0 HZ3 TRP A 52 6.652 0.857 -7.393 1.00 72.34 H new ATOM 0 HH2 TRP A 52 8.964 0.873 -8.229 1.00 21.53 H new ATOM 825 N TRP A 53 3.059 -4.561 -5.126 1.00 22.41 N ATOM 826 CA TRP A 53 1.668 -4.716 -4.689 1.00 72.22 C ATOM 827 C TRP A 53 0.870 -3.425 -4.920 1.00 52.00 C ATOM 828 O TRP A 53 1.228 -2.361 -4.414 1.00 42.52 O ATOM 829 CB TRP A 53 1.614 -5.105 -3.204 1.00 31.03 C ATOM 830 CG TRP A 53 2.043 -6.518 -2.932 1.00 31.22 C ATOM 831 CD1 TRP A 53 3.091 -7.188 -3.499 1.00 23.02 C ATOM 832 CD2 TRP A 53 1.434 -7.434 -2.014 1.00 31.01 C ATOM 833 NE1 TRP A 53 3.163 -8.461 -2.995 1.00 64.41 N ATOM 834 CE2 TRP A 53 2.160 -8.636 -2.080 1.00 3.24 C ATOM 835 CE3 TRP A 53 0.345 -7.353 -1.143 1.00 63.30 C ATOM 836 CZ2 TRP A 53 1.832 -9.749 -1.312 1.00 21.20 C ATOM 837 CZ3 TRP A 53 0.021 -8.457 -0.378 1.00 0.05 C ATOM 838 CH2 TRP A 53 0.763 -9.641 -0.468 1.00 72.11 C ATOM 0 H TRP A 53 3.658 -4.090 -4.448 1.00 22.41 H new ATOM 0 HA TRP A 53 1.217 -5.511 -5.283 1.00 72.22 H new ATOM 0 HB2 TRP A 53 2.251 -4.426 -2.637 1.00 31.03 H new ATOM 0 HB3 TRP A 53 0.596 -4.967 -2.839 1.00 31.03 H new ATOM 0 HD1 TRP A 53 3.764 -6.775 -4.236 1.00 23.02 H new ATOM 0 HE1 TRP A 53 3.853 -9.164 -3.259 1.00 64.41 H new ATOM 0 HE3 TRP A 53 -0.233 -6.444 -1.069 1.00 63.30 H new ATOM 0 HZ2 TRP A 53 2.401 -10.664 -1.381 1.00 21.20 H new ATOM 0 HZ3 TRP A 53 -0.818 -8.406 0.300 1.00 0.05 H new ATOM 0 HH2 TRP A 53 0.484 -10.487 0.143 1.00 72.11 H new ATOM 849 N LYS A 54 -0.206 -3.530 -5.695 1.00 51.43 N ATOM 850 CA LYS A 54 -1.072 -2.387 -5.998 1.00 60.13 C ATOM 851 C LYS A 54 -2.374 -2.461 -5.182 1.00 33.14 C ATOM 852 O LYS A 54 -3.185 -3.371 -5.373 1.00 32.23 O ATOM 853 CB LYS A 54 -1.386 -2.373 -7.499 1.00 3.11 C ATOM 854 CG LYS A 54 -2.264 -1.213 -7.952 1.00 5.11 C ATOM 855 CD LYS A 54 -2.469 -1.236 -9.465 1.00 25.33 C ATOM 856 CE LYS A 54 -3.352 -0.090 -9.940 1.00 11.12 C ATOM 857 NZ LYS A 54 -3.495 -0.081 -11.417 1.00 43.44 N ATOM 0 H LYS A 54 -0.504 -4.403 -6.130 1.00 51.43 H new ATOM 0 HA LYS A 54 -0.555 -1.467 -5.726 1.00 60.13 H new ATOM 0 HB2 LYS A 54 -0.448 -2.339 -8.053 1.00 3.11 H new ATOM 0 HB3 LYS A 54 -1.878 -3.309 -7.763 1.00 3.11 H new ATOM 0 HG2 LYS A 54 -3.230 -1.267 -7.450 1.00 5.11 H new ATOM 0 HG3 LYS A 54 -1.805 -0.269 -7.659 1.00 5.11 H new ATOM 0 HD2 LYS A 54 -1.501 -1.178 -9.963 1.00 25.33 H new ATOM 0 HD3 LYS A 54 -2.920 -2.185 -9.755 1.00 25.33 H new ATOM 0 HE2 LYS A 54 -4.336 -0.175 -9.480 1.00 11.12 H new ATOM 0 HE3 LYS A 54 -2.926 0.858 -9.610 1.00 11.12 H new ATOM 0 HZ1 LYS A 54 -4.103 0.713 -11.702 1.00 43.44 H new ATOM 0 HZ2 LYS A 54 -2.558 0.025 -11.856 1.00 43.44 H new ATOM 0 HZ3 LYS A 54 -3.924 -0.975 -11.730 1.00 43.44 H new ATOM 871 N GLY A 55 -2.581 -1.495 -4.289 1.00 54.24 N ATOM 872 CA GLY A 55 -3.723 -1.543 -3.383 1.00 13.40 C ATOM 873 C GLY A 55 -4.617 -0.310 -3.432 1.00 21.22 C ATOM 874 O GLY A 55 -4.387 0.617 -4.211 1.00 5.32 O ATOM 0 H GLY A 55 -1.980 -0.679 -4.175 1.00 54.24 H new ATOM 0 HA2 GLY A 55 -4.323 -2.422 -3.620 1.00 13.40 H new ATOM 0 HA3 GLY A 55 -3.358 -1.672 -2.364 1.00 13.40 H new ATOM 878 N GLU A 56 -5.643 -0.309 -2.584 1.00 61.33 N ATOM 879 CA GLU A 56 -6.621 0.781 -2.518 1.00 10.10 C ATOM 880 C GLU A 56 -6.886 1.206 -1.064 1.00 53.05 C ATOM 881 O GLU A 56 -7.141 0.363 -0.195 1.00 2.41 O ATOM 882 CB GLU A 56 -7.942 0.331 -3.160 1.00 72.00 C ATOM 883 CG GLU A 56 -9.081 1.338 -3.018 1.00 60.32 C ATOM 884 CD GLU A 56 -10.438 0.746 -3.363 1.00 43.41 C ATOM 885 OE1 GLU A 56 -10.996 0.007 -2.521 1.00 42.30 O ATOM 886 OE2 GLU A 56 -10.956 1.023 -4.464 1.00 33.40 O ATOM 0 H GLU A 56 -5.822 -1.063 -1.921 1.00 61.33 H new ATOM 0 HA GLU A 56 -6.211 1.634 -3.059 1.00 10.10 H new ATOM 0 HB2 GLU A 56 -7.771 0.139 -4.219 1.00 72.00 H new ATOM 0 HB3 GLU A 56 -8.249 -0.613 -2.710 1.00 72.00 H new ATOM 0 HG2 GLU A 56 -9.103 1.713 -1.995 1.00 60.32 H new ATOM 0 HG3 GLU A 56 -8.887 2.193 -3.666 1.00 60.32 H new ATOM 893 N THR A 57 -6.830 2.511 -0.804 1.00 62.11 N ATOM 894 CA THR A 57 -7.172 3.064 0.520 1.00 61.11 C ATOM 895 C THR A 57 -8.225 4.167 0.393 1.00 43.42 C ATOM 896 O THR A 57 -8.656 4.506 -0.710 1.00 51.14 O ATOM 897 CB THR A 57 -5.940 3.666 1.244 1.00 13.42 C ATOM 898 OG1 THR A 57 -5.511 4.868 0.581 1.00 34.22 O ATOM 899 CG2 THR A 57 -4.788 2.671 1.284 1.00 31.24 C ATOM 0 H THR A 57 -6.551 3.213 -1.490 1.00 62.11 H new ATOM 0 HA THR A 57 -7.557 2.228 1.105 1.00 61.11 H new ATOM 0 HB THR A 57 -6.235 3.900 2.267 1.00 13.42 H new ATOM 0 HG1 THR A 57 -4.583 5.063 0.827 1.00 34.22 H new ATOM 0 HG21 THR A 57 -3.937 3.120 1.797 1.00 31.24 H new ATOM 0 HG22 THR A 57 -5.101 1.773 1.817 1.00 31.24 H new ATOM 0 HG23 THR A 57 -4.500 2.407 0.266 1.00 31.24 H new ATOM 907 N HIS A 58 -8.646 4.729 1.524 1.00 13.02 N ATOM 908 CA HIS A 58 -9.529 5.905 1.518 1.00 32.21 C ATOM 909 C HIS A 58 -8.751 7.192 1.169 1.00 74.25 C ATOM 910 O HIS A 58 -9.331 8.273 1.063 1.00 44.21 O ATOM 911 CB HIS A 58 -10.240 6.058 2.871 1.00 14.40 C ATOM 912 CG HIS A 58 -9.326 5.976 4.057 1.00 2.00 C ATOM 913 ND1 HIS A 58 -8.480 6.995 4.438 1.00 44.33 N ATOM 914 CD2 HIS A 58 -9.134 4.982 4.953 1.00 73.42 C ATOM 915 CE1 HIS A 58 -7.806 6.627 5.508 1.00 53.41 C ATOM 916 NE2 HIS A 58 -8.185 5.414 5.842 1.00 42.42 N ATOM 0 H HIS A 58 -8.394 4.395 2.454 1.00 13.02 H new ATOM 0 HA HIS A 58 -10.282 5.748 0.745 1.00 32.21 H new ATOM 0 HB2 HIS A 58 -10.758 7.017 2.891 1.00 14.40 H new ATOM 0 HB3 HIS A 58 -11.001 5.283 2.959 1.00 14.40 H new ATOM 0 HD2 HIS A 58 -9.635 4.025 4.966 1.00 73.42 H new ATOM 0 HE1 HIS A 58 -7.067 7.222 6.024 1.00 53.41 H new ATOM 0 HE2 HIS A 58 -7.830 4.880 6.635 1.00 42.42 H new ATOM 925 N GLN A 59 -7.436 7.062 0.999 1.00 25.12 N ATOM 926 CA GLN A 59 -6.580 8.185 0.600 1.00 33.10 C ATOM 927 C GLN A 59 -6.325 8.163 -0.922 1.00 41.22 C ATOM 928 O GLN A 59 -6.244 9.210 -1.566 1.00 44.12 O ATOM 929 CB GLN A 59 -5.244 8.122 1.362 1.00 33.41 C ATOM 930 CG GLN A 59 -4.321 9.313 1.113 1.00 11.54 C ATOM 931 CD GLN A 59 -4.873 10.624 1.654 1.00 70.21 C ATOM 932 OE1 GLN A 59 -5.573 11.356 0.960 1.00 33.05 O ATOM 933 NE2 GLN A 59 -4.569 10.935 2.897 1.00 61.41 N ATOM 0 H GLN A 59 -6.934 6.184 1.132 1.00 25.12 H new ATOM 0 HA GLN A 59 -7.090 9.116 0.849 1.00 33.10 H new ATOM 0 HB2 GLN A 59 -5.451 8.055 2.430 1.00 33.41 H new ATOM 0 HB3 GLN A 59 -4.722 7.208 1.081 1.00 33.41 H new ATOM 0 HG2 GLN A 59 -3.353 9.116 1.574 1.00 11.54 H new ATOM 0 HG3 GLN A 59 -4.149 9.413 0.041 1.00 11.54 H new ATOM 0 HE21 GLN A 59 -3.985 10.308 3.451 1.00 61.41 H new ATOM 0 HE22 GLN A 59 -4.917 11.802 3.305 1.00 61.41 H new ATOM 942 N GLY A 60 -6.203 6.961 -1.490 1.00 22.04 N ATOM 943 CA GLY A 60 -5.983 6.829 -2.928 1.00 24.03 C ATOM 944 C GLY A 60 -5.631 5.408 -3.357 1.00 53.50 C ATOM 945 O GLY A 60 -5.625 4.485 -2.538 1.00 30.41 O ATOM 0 H GLY A 60 -6.252 6.078 -0.983 1.00 22.04 H new ATOM 0 HA2 GLY A 60 -6.881 7.149 -3.457 1.00 24.03 H new ATOM 0 HA3 GLY A 60 -5.180 7.501 -3.229 1.00 24.03 H new ATOM 949 N ILE A 61 -5.342 5.226 -4.644 1.00 15.35 N ATOM 950 CA ILE A 61 -4.956 3.914 -5.185 1.00 4.51 C ATOM 951 C ILE A 61 -3.546 3.958 -5.807 1.00 11.14 C ATOM 952 O ILE A 61 -3.182 4.923 -6.483 1.00 64.02 O ATOM 953 CB ILE A 61 -5.974 3.423 -6.254 1.00 73.02 C ATOM 954 CG1 ILE A 61 -7.383 3.326 -5.640 1.00 14.43 C ATOM 955 CG2 ILE A 61 -5.547 2.075 -6.846 1.00 24.43 C ATOM 956 CD1 ILE A 61 -8.442 2.805 -6.592 1.00 11.15 C ATOM 0 H ILE A 61 -5.367 5.972 -5.339 1.00 15.35 H new ATOM 0 HA ILE A 61 -4.953 3.214 -4.349 1.00 4.51 H new ATOM 0 HB ILE A 61 -5.995 4.150 -7.066 1.00 73.02 H new ATOM 0 HG12 ILE A 61 -7.343 2.674 -4.767 1.00 14.43 H new ATOM 0 HG13 ILE A 61 -7.682 4.313 -5.287 1.00 14.43 H new ATOM 0 HG21 ILE A 61 -6.277 1.757 -7.590 1.00 24.43 H new ATOM 0 HG22 ILE A 61 -4.570 2.178 -7.318 1.00 24.43 H new ATOM 0 HG23 ILE A 61 -5.490 1.331 -6.052 1.00 24.43 H new ATOM 0 HD11 ILE A 61 -9.404 2.768 -6.081 1.00 11.15 H new ATOM 0 HD12 ILE A 61 -8.514 3.468 -7.454 1.00 11.15 H new ATOM 0 HD13 ILE A 61 -8.170 1.804 -6.926 1.00 11.15 H new ATOM 968 N GLY A 62 -2.753 2.910 -5.572 1.00 32.24 N ATOM 969 CA GLY A 62 -1.396 2.860 -6.117 1.00 35.12 C ATOM 970 C GLY A 62 -0.595 1.654 -5.635 1.00 1.12 C ATOM 971 O GLY A 62 -1.115 0.791 -4.929 1.00 53.32 O ATOM 0 H GLY A 62 -3.022 2.097 -5.017 1.00 32.24 H new ATOM 0 HA2 GLY A 62 -1.450 2.840 -7.205 1.00 35.12 H new ATOM 0 HA3 GLY A 62 -0.867 3.772 -5.841 1.00 35.12 H new ATOM 975 N LEU A 63 0.679 1.601 -6.016 1.00 43.13 N ATOM 976 CA LEU A 63 1.565 0.490 -5.643 1.00 30.32 C ATOM 977 C LEU A 63 2.455 0.851 -4.439 1.00 50.45 C ATOM 978 O LEU A 63 2.654 2.024 -4.123 1.00 41.44 O ATOM 979 CB LEU A 63 2.458 0.080 -6.830 1.00 42.11 C ATOM 980 CG LEU A 63 1.727 -0.472 -8.073 1.00 22.45 C ATOM 981 CD1 LEU A 63 0.974 0.633 -8.818 1.00 45.10 C ATOM 982 CD2 LEU A 63 2.710 -1.180 -9.005 1.00 21.33 C ATOM 0 H LEU A 63 1.128 2.317 -6.587 1.00 43.13 H new ATOM 0 HA LEU A 63 0.925 -0.347 -5.363 1.00 30.32 H new ATOM 0 HB2 LEU A 63 3.044 0.948 -7.134 1.00 42.11 H new ATOM 0 HB3 LEU A 63 3.163 -0.675 -6.484 1.00 42.11 H new ATOM 0 HG LEU A 63 0.991 -1.198 -7.729 1.00 22.45 H new ATOM 0 HD11 LEU A 63 0.471 0.209 -9.687 1.00 45.10 H new ATOM 0 HD12 LEU A 63 0.235 1.081 -8.154 1.00 45.10 H new ATOM 0 HD13 LEU A 63 1.679 1.398 -9.144 1.00 45.10 H new ATOM 0 HD21 LEU A 63 2.176 -1.562 -9.875 1.00 21.33 H new ATOM 0 HD22 LEU A 63 3.475 -0.475 -9.330 1.00 21.33 H new ATOM 0 HD23 LEU A 63 3.181 -2.008 -8.476 1.00 21.33 H new ATOM 994 N PHE A 64 2.981 -0.171 -3.765 1.00 3.23 N ATOM 995 CA PHE A 64 3.919 0.026 -2.652 1.00 23.31 C ATOM 996 C PHE A 64 4.971 -1.108 -2.596 1.00 65.22 C ATOM 997 O PHE A 64 4.718 -2.181 -2.052 1.00 24.42 O ATOM 998 CB PHE A 64 3.154 0.153 -1.318 1.00 54.12 C ATOM 999 CG PHE A 64 2.074 -0.883 -1.100 1.00 25.10 C ATOM 1000 CD1 PHE A 64 0.812 -0.715 -1.657 1.00 54.35 C ATOM 1001 CD2 PHE A 64 2.318 -2.017 -0.337 1.00 74.04 C ATOM 1002 CE1 PHE A 64 -0.181 -1.655 -1.458 1.00 34.33 C ATOM 1003 CE2 PHE A 64 1.329 -2.960 -0.136 1.00 70.21 C ATOM 1004 CZ PHE A 64 0.078 -2.780 -0.697 1.00 15.42 C ATOM 0 H PHE A 64 2.775 -1.149 -3.969 1.00 3.23 H new ATOM 0 HA PHE A 64 4.459 0.958 -2.822 1.00 23.31 H new ATOM 0 HB2 PHE A 64 3.870 0.088 -0.498 1.00 54.12 H new ATOM 0 HB3 PHE A 64 2.702 1.144 -1.269 1.00 54.12 H new ATOM 0 HD1 PHE A 64 0.605 0.161 -2.253 1.00 54.35 H new ATOM 0 HD2 PHE A 64 3.293 -2.163 0.105 1.00 74.04 H new ATOM 0 HE1 PHE A 64 -1.158 -1.511 -1.896 1.00 34.33 H new ATOM 0 HE2 PHE A 64 1.533 -3.838 0.459 1.00 70.21 H new ATOM 0 HZ PHE A 64 -0.696 -3.517 -0.541 1.00 15.42 H new ATOM 1014 N PRO A 65 6.175 -0.878 -3.171 1.00 11.11 N ATOM 1015 CA PRO A 65 7.210 -1.925 -3.306 1.00 14.01 C ATOM 1016 C PRO A 65 8.066 -2.151 -2.041 1.00 42.55 C ATOM 1017 O PRO A 65 8.567 -3.256 -1.813 1.00 0.04 O ATOM 1018 CB PRO A 65 8.072 -1.378 -4.448 1.00 34.42 C ATOM 1019 CG PRO A 65 8.003 0.105 -4.286 1.00 53.13 C ATOM 1020 CD PRO A 65 6.621 0.412 -3.752 1.00 54.34 C ATOM 0 HA PRO A 65 6.765 -2.905 -3.482 1.00 14.01 H new ATOM 0 HB2 PRO A 65 9.098 -1.738 -4.379 1.00 34.42 H new ATOM 0 HB3 PRO A 65 7.689 -1.690 -5.420 1.00 34.42 H new ATOM 0 HG2 PRO A 65 8.772 0.457 -3.598 1.00 53.13 H new ATOM 0 HG3 PRO A 65 8.172 0.608 -5.238 1.00 53.13 H new ATOM 0 HD2 PRO A 65 6.648 1.202 -3.001 1.00 54.34 H new ATOM 0 HD3 PRO A 65 5.951 0.748 -4.544 1.00 54.34 H new ATOM 1028 N SER A 66 8.232 -1.113 -1.220 1.00 62.20 N ATOM 1029 CA SER A 66 9.107 -1.184 -0.028 1.00 42.54 C ATOM 1030 C SER A 66 8.597 -2.188 1.024 1.00 23.31 C ATOM 1031 O SER A 66 9.355 -2.625 1.889 1.00 62.32 O ATOM 1032 CB SER A 66 9.245 0.203 0.617 1.00 73.24 C ATOM 1033 OG SER A 66 9.692 1.168 -0.322 1.00 73.31 O ATOM 0 H SER A 66 7.776 -0.210 -1.351 1.00 62.20 H new ATOM 0 HA SER A 66 10.079 -1.534 -0.375 1.00 42.54 H new ATOM 0 HB2 SER A 66 8.284 0.512 1.029 1.00 73.24 H new ATOM 0 HB3 SER A 66 9.947 0.151 1.449 1.00 73.24 H new ATOM 0 HG SER A 66 9.769 2.041 0.117 1.00 73.31 H new ATOM 1039 N ASN A 67 7.310 -2.536 0.942 1.00 74.31 N ATOM 1040 CA ASN A 67 6.678 -3.476 1.883 1.00 15.03 C ATOM 1041 C ASN A 67 6.748 -2.978 3.342 1.00 42.51 C ATOM 1042 O ASN A 67 7.579 -3.423 4.132 1.00 3.23 O ATOM 1043 CB ASN A 67 7.288 -4.881 1.763 1.00 35.12 C ATOM 1044 CG ASN A 67 6.560 -5.898 2.628 1.00 32.44 C ATOM 1045 OD1 ASN A 67 5.367 -5.776 2.876 1.00 30.34 O ATOM 1046 ND2 ASN A 67 7.271 -6.905 3.090 1.00 44.41 N ATOM 0 H ASN A 67 6.676 -2.179 0.227 1.00 74.31 H new ATOM 0 HA ASN A 67 5.625 -3.532 1.607 1.00 15.03 H new ATOM 0 HB2 ASN A 67 7.255 -5.202 0.722 1.00 35.12 H new ATOM 0 HB3 ASN A 67 8.338 -4.845 2.053 1.00 35.12 H new ATOM 0 HD21 ASN A 67 6.830 -7.615 3.675 1.00 44.41 H new ATOM 0 HD22 ASN A 67 8.263 -6.975 2.863 1.00 44.41 H new ATOM 1053 N PHE A 68 5.880 -2.028 3.669 1.00 15.21 N ATOM 1054 CA PHE A 68 5.763 -1.488 5.034 1.00 62.43 C ATOM 1055 C PHE A 68 4.419 -1.899 5.661 1.00 43.55 C ATOM 1056 O PHE A 68 3.881 -1.220 6.541 1.00 63.23 O ATOM 1057 CB PHE A 68 5.909 0.044 5.001 1.00 43.20 C ATOM 1058 CG PHE A 68 5.512 0.656 3.681 1.00 45.11 C ATOM 1059 CD1 PHE A 68 4.182 0.708 3.290 1.00 63.14 C ATOM 1060 CD2 PHE A 68 6.477 1.156 2.819 1.00 24.43 C ATOM 1061 CE1 PHE A 68 3.829 1.246 2.071 1.00 52.21 C ATOM 1062 CE2 PHE A 68 6.124 1.699 1.601 1.00 61.23 C ATOM 1063 CZ PHE A 68 4.799 1.740 1.227 1.00 1.31 C ATOM 0 H PHE A 68 5.234 -1.605 3.002 1.00 15.21 H new ATOM 0 HA PHE A 68 6.561 -1.901 5.651 1.00 62.43 H new ATOM 0 HB2 PHE A 68 5.297 0.477 5.792 1.00 43.20 H new ATOM 0 HB3 PHE A 68 6.944 0.308 5.218 1.00 43.20 H new ATOM 0 HD1 PHE A 68 3.416 0.323 3.947 1.00 63.14 H new ATOM 0 HD2 PHE A 68 7.518 1.120 3.105 1.00 24.43 H new ATOM 0 HE1 PHE A 68 2.790 1.280 1.777 1.00 52.21 H new ATOM 0 HE2 PHE A 68 6.885 2.091 0.942 1.00 61.23 H new ATOM 0 HZ PHE A 68 4.521 2.160 0.272 1.00 1.31 H new ATOM 1073 N VAL A 69 3.899 -3.039 5.207 1.00 11.12 N ATOM 1074 CA VAL A 69 2.615 -3.570 5.677 1.00 61.50 C ATOM 1075 C VAL A 69 2.745 -5.042 6.104 1.00 2.53 C ATOM 1076 O VAL A 69 3.775 -5.680 5.882 1.00 14.35 O ATOM 1077 CB VAL A 69 1.520 -3.452 4.580 1.00 42.20 C ATOM 1078 CG1 VAL A 69 1.290 -1.992 4.195 1.00 2.51 C ATOM 1079 CG2 VAL A 69 1.890 -4.284 3.353 1.00 11.13 C ATOM 0 H VAL A 69 4.354 -3.622 4.504 1.00 11.12 H new ATOM 0 HA VAL A 69 2.321 -2.972 6.539 1.00 61.50 H new ATOM 0 HB VAL A 69 0.589 -3.844 4.989 1.00 42.20 H new ATOM 0 HG11 VAL A 69 0.520 -1.936 3.426 1.00 2.51 H new ATOM 0 HG12 VAL A 69 0.969 -1.431 5.072 1.00 2.51 H new ATOM 0 HG13 VAL A 69 2.217 -1.566 3.811 1.00 2.51 H new ATOM 0 HG21 VAL A 69 1.110 -4.186 2.598 1.00 11.13 H new ATOM 0 HG22 VAL A 69 2.836 -3.929 2.945 1.00 11.13 H new ATOM 0 HG23 VAL A 69 1.989 -5.331 3.640 1.00 11.13 H new ATOM 1089 N THR A 70 1.694 -5.577 6.714 1.00 3.42 N ATOM 1090 CA THR A 70 1.678 -6.983 7.135 1.00 4.31 C ATOM 1091 C THR A 70 0.326 -7.636 6.830 1.00 45.05 C ATOM 1092 O THR A 70 -0.722 -6.996 6.940 1.00 4.31 O ATOM 1093 CB THR A 70 1.994 -7.134 8.645 1.00 52.40 C ATOM 1094 OG1 THR A 70 2.074 -8.525 8.993 1.00 40.34 O ATOM 1095 CG2 THR A 70 0.939 -6.452 9.512 1.00 25.22 C ATOM 0 H THR A 70 0.840 -5.063 6.930 1.00 3.42 H new ATOM 0 HA THR A 70 2.457 -7.490 6.565 1.00 4.31 H new ATOM 0 HB THR A 70 2.952 -6.649 8.832 1.00 52.40 H new ATOM 0 HG1 THR A 70 2.276 -8.612 9.948 1.00 40.34 H new ATOM 0 HG21 THR A 70 1.195 -6.579 10.564 1.00 25.22 H new ATOM 0 HG22 THR A 70 0.904 -5.389 9.273 1.00 25.22 H new ATOM 0 HG23 THR A 70 -0.036 -6.900 9.319 1.00 25.22 H new ATOM 1103 N ALA A 71 0.349 -8.905 6.440 1.00 43.12 N ATOM 1104 CA ALA A 71 -0.878 -9.613 6.069 1.00 52.02 C ATOM 1105 C ALA A 71 -1.410 -10.465 7.231 1.00 53.31 C ATOM 1106 O ALA A 71 -0.918 -11.563 7.485 1.00 2.31 O ATOM 1107 CB ALA A 71 -0.626 -10.480 4.839 1.00 21.13 C ATOM 0 H ALA A 71 1.198 -9.466 6.371 1.00 43.12 H new ATOM 0 HA ALA A 71 -1.640 -8.871 5.832 1.00 52.02 H new ATOM 0 HB1 ALA A 71 -1.543 -11.004 4.569 1.00 21.13 H new ATOM 0 HB2 ALA A 71 -0.310 -9.849 4.008 1.00 21.13 H new ATOM 0 HB3 ALA A 71 0.155 -11.207 5.060 1.00 21.13 H new ATOM 1113 N ASP A 72 -2.412 -9.939 7.934 1.00 53.34 N ATOM 1114 CA ASP A 72 -3.091 -10.681 9.005 1.00 54.43 C ATOM 1115 C ASP A 72 -4.145 -11.654 8.432 1.00 5.12 C ATOM 1116 O ASP A 72 -5.177 -11.191 7.894 1.00 37.22 O ATOM 1117 CB ASP A 72 -3.729 -9.706 10.007 1.00 10.22 C ATOM 1118 CG ASP A 72 -2.691 -9.004 10.874 1.00 53.01 C ATOM 1119 OD1 ASP A 72 -2.029 -8.062 10.390 1.00 3.25 O ATOM 1120 OD2 ASP A 72 -2.519 -9.397 12.048 1.00 4.14 O ATOM 1121 OXT ASP A 72 -3.933 -12.886 8.520 1.00 37.22 O ATOM 0 H ASP A 72 -2.776 -8.998 7.783 1.00 53.34 H new ATOM 0 HA ASP A 72 -2.346 -11.279 9.530 1.00 54.43 H new ATOM 0 HB2 ASP A 72 -4.310 -8.960 9.465 1.00 10.22 H new ATOM 0 HB3 ASP A 72 -4.425 -10.249 10.646 1.00 10.22 H new TER 1126 ASP A 72