USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 987 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 130 HIS : no HD1:sc= 0 X(o=0,f=0.014) USER MOD Set 2.1: A 126 HIS : no HE2:sc= -0.337 K(o=-1.8,f=-2.7!) USER MOD Set 2.2: A 127 HIS : +bothHN:sc= -1.44 K(o=-1.8,f=-2.9) USER MOD Set 3.1: A 86 THR OG1 : rot -31:sc= 0.533 USER MOD Set 3.2: A 115 GLN : amide:sc= 0.0578 X(o=0.59,f=0.46) USER MOD Set 4.1: A 71 GLN : amide:sc= -0.811 K(o=-0.77,f=-5.3!) USER MOD Set 4.2: A 104 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 1 MET CE :methyl -114:sc= 0 (180deg=-0.36) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0203 (180deg=-0.316) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 144:sc= 0.636 USER MOD Single : A 6 TYR OH : rot 42:sc= -0.971 USER MOD Single : A 7 TYR OH : rot 91:sc= 0.667 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 23 THR OG1 : rot 140:sc= 0.0186 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0.564 (180deg=0.456) USER MOD Single : A 28 ASN : amide:sc= -0.305 X(o=-0.3,f=-0.003) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00727) USER MOD Single : A 37 ASN : amide:sc= -3.49! C(o=-3.5!,f=-10!) USER MOD Single : A 40 ASN : amide:sc= -1.1 K(o=-1.1,f=-8.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= 0.721 (180deg=0.208) USER MOD Single : A 49 THR OG1 : rot 162:sc= 0.729 USER MOD Single : A 51 SER OG : rot -83:sc= 0.951 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot -87:sc= 0.339 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -161:sc= -0.25 (180deg=-0.84) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.352 X(o=0.35,f=-0.0019) USER MOD Single : A 69 HIS : no HE2:sc= 0.667 K(o=0.67,f=-2.3!) USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 0.462 (180deg=0.46) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 0.232 (180deg=0.0201) USER MOD Single : A 83 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00277) USER MOD Single : A 90 TYR OH : rot 15:sc= -0.847 USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0.802 (180deg=0.593) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : +bothHN:sc= 0.493 K(o=0.49,f=-3.1!) USER MOD Single : A 97 THR OG1 : rot 72:sc= 0.428 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= 0.0692 (180deg=-0.148) USER MOD Single : A 108 LYS NZ :NH3+ 178:sc= 0.464 (180deg=0.464) USER MOD Single : A 109 LYS NZ :NH3+ 174:sc= 0.322 (180deg=0.155) USER MOD Single : A 116 LYS NZ :NH3+ -179:sc= 1.44 (180deg=1.44) USER MOD Single : A 119 LYS NZ :NH3+ -109:sc= 0.241 (180deg=-0.154) USER MOD Single : A 123 LYS NZ :NH3+ 170:sc= 0.731 (180deg=0.563) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.00081) USER MOD Single : A 131 HIS : no HD1:sc=-0.00766 X(o=-0.0077,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.204 -9.795 15.846 1.00 10.21 N ATOM 2 CA MET A 1 3.903 -9.782 14.534 1.00 72.11 C ATOM 3 C MET A 1 4.993 -10.849 14.510 1.00 32.43 C ATOM 4 O MET A 1 5.947 -10.786 15.287 1.00 35.44 O ATOM 5 CB MET A 1 4.523 -8.401 14.280 1.00 31.13 C ATOM 6 CG MET A 1 3.496 -7.299 14.061 1.00 24.25 C ATOM 7 SD MET A 1 4.150 -5.635 14.310 1.00 45.20 S ATOM 8 CE MET A 1 5.359 -5.497 12.998 1.00 44.04 C ATOM 0 H1 MET A 1 2.278 -9.332 15.751 1.00 10.21 H new ATOM 0 H2 MET A 1 3.069 -10.778 16.158 1.00 10.21 H new ATOM 0 H3 MET A 1 3.776 -9.285 16.549 1.00 10.21 H new ATOM 0 HA MET A 1 3.178 -9.996 13.749 1.00 72.11 H new ATOM 0 HB2 MET A 1 5.154 -8.134 15.128 1.00 31.13 H new ATOM 0 HB3 MET A 1 5.172 -8.459 13.406 1.00 31.13 H new ATOM 0 HG2 MET A 1 3.103 -7.377 13.047 1.00 24.25 H new ATOM 0 HG3 MET A 1 2.658 -7.456 14.740 1.00 24.25 H new ATOM 0 HE1 MET A 1 6.358 -5.427 13.429 1.00 44.04 H new ATOM 0 HE2 MET A 1 5.302 -6.377 12.357 1.00 44.04 H new ATOM 0 HE3 MET A 1 5.155 -4.604 12.408 1.00 44.04 H new ATOM 20 N LYS A 2 4.842 -11.833 13.629 1.00 22.42 N ATOM 21 CA LYS A 2 5.836 -12.896 13.465 1.00 75.25 C ATOM 22 C LYS A 2 6.778 -12.521 12.324 1.00 0.21 C ATOM 23 O LYS A 2 6.425 -11.682 11.493 1.00 34.10 O ATOM 24 CB LYS A 2 5.187 -14.261 13.123 1.00 14.54 C ATOM 25 CG LYS A 2 4.153 -14.823 14.113 1.00 2.50 C ATOM 26 CD LYS A 2 2.762 -14.236 13.890 1.00 73.23 C ATOM 27 CE LYS A 2 1.642 -15.204 14.253 1.00 12.12 C ATOM 28 NZ LYS A 2 1.595 -15.510 15.706 1.00 63.52 N ATOM 0 H LYS A 2 4.035 -11.919 13.011 1.00 22.42 H new ATOM 0 HA LYS A 2 6.367 -12.996 14.412 1.00 75.25 H new ATOM 0 HB2 LYS A 2 4.706 -14.170 12.149 1.00 14.54 H new ATOM 0 HB3 LYS A 2 5.985 -14.996 13.017 1.00 14.54 H new ATOM 0 HG2 LYS A 2 4.108 -15.907 14.012 1.00 2.50 H new ATOM 0 HG3 LYS A 2 4.476 -14.611 15.132 1.00 2.50 H new ATOM 0 HD2 LYS A 2 2.657 -13.328 14.484 1.00 73.23 H new ATOM 0 HD3 LYS A 2 2.659 -13.946 12.844 1.00 73.23 H new ATOM 0 HE2 LYS A 2 0.687 -14.779 13.945 1.00 12.12 H new ATOM 0 HE3 LYS A 2 1.774 -16.131 13.695 1.00 12.12 H new ATOM 0 HZ1 LYS A 2 0.816 -16.172 15.896 1.00 63.52 H new ATOM 0 HZ2 LYS A 2 2.495 -15.941 15.999 1.00 63.52 H new ATOM 0 HZ3 LYS A 2 1.441 -14.631 16.241 1.00 63.52 H new ATOM 42 N ASP A 3 7.970 -13.122 12.302 1.00 23.34 N ATOM 43 CA ASP A 3 8.889 -13.011 11.159 1.00 62.23 C ATOM 44 C ASP A 3 8.245 -13.619 9.905 1.00 71.31 C ATOM 45 O ASP A 3 8.061 -14.838 9.797 1.00 40.33 O ATOM 46 CB ASP A 3 10.223 -13.705 11.492 1.00 10.12 C ATOM 47 CG ASP A 3 11.262 -13.674 10.373 1.00 53.01 C ATOM 48 OD1 ASP A 3 11.199 -14.513 9.452 1.00 54.11 O ATOM 49 OD2 ASP A 3 12.169 -12.835 10.441 1.00 22.01 O ATOM 0 H ASP A 3 8.326 -13.695 13.067 1.00 23.34 H new ATOM 0 HA ASP A 3 9.092 -11.959 10.958 1.00 62.23 H new ATOM 0 HB2 ASP A 3 10.650 -13.233 12.377 1.00 10.12 H new ATOM 0 HB3 ASP A 3 10.020 -14.744 11.751 1.00 10.12 H new ATOM 54 N GLY A 4 7.876 -12.744 8.995 1.00 44.52 N ATOM 55 CA GLY A 4 7.139 -13.122 7.812 1.00 1.55 C ATOM 56 C GLY A 4 6.388 -11.934 7.258 1.00 10.45 C ATOM 57 O GLY A 4 6.312 -10.894 7.906 1.00 43.31 O ATOM 0 H GLY A 4 8.080 -11.747 9.056 1.00 44.52 H new ATOM 0 HA2 GLY A 4 7.823 -13.511 7.058 1.00 1.55 H new ATOM 0 HA3 GLY A 4 6.440 -13.923 8.052 1.00 1.55 H new ATOM 61 N THR A 5 5.820 -12.078 6.082 1.00 34.41 N ATOM 62 CA THR A 5 5.239 -10.945 5.390 1.00 70.04 C ATOM 63 C THR A 5 3.722 -10.932 5.559 1.00 74.13 C ATOM 64 O THR A 5 3.085 -11.983 5.623 1.00 32.31 O ATOM 65 CB THR A 5 5.608 -10.966 3.896 1.00 24.13 C ATOM 66 OG1 THR A 5 6.899 -11.549 3.720 1.00 42.44 O ATOM 67 CG2 THR A 5 5.630 -9.568 3.328 1.00 30.31 C ATOM 0 H THR A 5 5.747 -12.965 5.584 1.00 34.41 H new ATOM 0 HA THR A 5 5.647 -10.036 5.832 1.00 70.04 H new ATOM 0 HB THR A 5 4.855 -11.556 3.374 1.00 24.13 H new ATOM 0 HG1 THR A 5 6.912 -12.070 2.890 1.00 42.44 H new ATOM 0 HG21 THR A 5 5.893 -9.609 2.271 1.00 30.31 H new ATOM 0 HG22 THR A 5 4.645 -9.114 3.439 1.00 30.31 H new ATOM 0 HG23 THR A 5 6.368 -8.970 3.863 1.00 30.31 H new ATOM 75 N TYR A 6 3.167 -9.733 5.674 1.00 72.53 N ATOM 76 CA TYR A 6 1.738 -9.539 5.884 1.00 42.01 C ATOM 77 C TYR A 6 1.174 -8.623 4.835 1.00 60.24 C ATOM 78 O TYR A 6 1.507 -7.459 4.788 1.00 23.34 O ATOM 79 CB TYR A 6 1.479 -8.951 7.274 1.00 33.30 C ATOM 80 CG TYR A 6 1.929 -9.872 8.360 1.00 52.32 C ATOM 81 CD1 TYR A 6 1.214 -11.010 8.634 1.00 64.41 C ATOM 82 CD2 TYR A 6 3.106 -9.644 9.052 1.00 62.52 C ATOM 83 CE1 TYR A 6 1.646 -11.902 9.573 1.00 61.11 C ATOM 84 CE2 TYR A 6 3.540 -10.528 10.010 1.00 11.54 C ATOM 85 CZ TYR A 6 2.809 -11.665 10.253 1.00 3.54 C ATOM 86 OH TYR A 6 3.237 -12.569 11.174 1.00 21.44 O ATOM 0 H TYR A 6 3.698 -8.863 5.624 1.00 72.53 H new ATOM 0 HA TYR A 6 1.246 -10.509 5.810 1.00 42.01 H new ATOM 0 HB2 TYR A 6 1.999 -7.998 7.368 1.00 33.30 H new ATOM 0 HB3 TYR A 6 0.415 -8.746 7.389 1.00 33.30 H new ATOM 0 HD1 TYR A 6 0.296 -11.203 8.099 1.00 64.41 H new ATOM 0 HD2 TYR A 6 3.690 -8.761 8.836 1.00 62.52 H new ATOM 0 HE1 TYR A 6 1.071 -12.793 9.778 1.00 61.11 H new ATOM 0 HE2 TYR A 6 4.445 -10.331 10.565 1.00 11.54 H new ATOM 0 HH TYR A 6 3.109 -13.476 10.826 1.00 21.44 H new ATOM 96 N TYR A 7 0.311 -9.140 4.001 1.00 44.34 N ATOM 97 CA TYR A 7 -0.278 -8.341 2.955 1.00 44.23 C ATOM 98 C TYR A 7 -1.719 -8.017 3.329 1.00 4.44 C ATOM 99 O TYR A 7 -2.399 -8.823 3.978 1.00 2.41 O ATOM 100 CB TYR A 7 -0.146 -9.079 1.592 1.00 30.12 C ATOM 101 CG TYR A 7 -1.438 -9.503 0.912 1.00 61.43 C ATOM 102 CD1 TYR A 7 -2.053 -10.710 1.226 1.00 12.24 C ATOM 103 CD2 TYR A 7 -2.043 -8.686 -0.036 1.00 13.02 C ATOM 104 CE1 TYR A 7 -3.231 -11.087 0.613 1.00 34.30 C ATOM 105 CE2 TYR A 7 -3.221 -9.056 -0.649 1.00 32.51 C ATOM 106 CZ TYR A 7 -3.812 -10.257 -0.320 1.00 13.43 C ATOM 107 OH TYR A 7 -5.005 -10.619 -0.909 1.00 45.42 O ATOM 0 H TYR A 7 -0.001 -10.111 4.024 1.00 44.34 H new ATOM 0 HA TYR A 7 0.248 -7.393 2.845 1.00 44.23 H new ATOM 0 HB2 TYR A 7 0.401 -8.431 0.907 1.00 30.12 H new ATOM 0 HB3 TYR A 7 0.464 -9.969 1.746 1.00 30.12 H new ATOM 0 HD1 TYR A 7 -1.603 -11.362 1.960 1.00 12.24 H new ATOM 0 HD2 TYR A 7 -1.582 -7.745 -0.297 1.00 13.02 H new ATOM 0 HE1 TYR A 7 -3.695 -12.029 0.864 1.00 34.30 H new ATOM 0 HE2 TYR A 7 -3.678 -8.409 -1.383 1.00 32.51 H new ATOM 0 HH TYR A 7 -5.751 -10.262 -0.383 1.00 45.42 H new ATOM 117 N ALA A 8 -2.168 -6.826 2.966 1.00 41.40 N ATOM 118 CA ALA A 8 -3.572 -6.501 3.069 1.00 12.40 C ATOM 119 C ALA A 8 -4.017 -5.728 1.868 1.00 51.34 C ATOM 120 O ALA A 8 -3.248 -4.982 1.273 1.00 32.41 O ATOM 121 CB ALA A 8 -3.877 -5.722 4.315 1.00 14.20 C ATOM 0 H ALA A 8 -1.581 -6.076 2.600 1.00 41.40 H new ATOM 0 HA ALA A 8 -4.119 -7.442 3.120 1.00 12.40 H new ATOM 0 HB1 ALA A 8 -4.943 -5.499 4.353 1.00 14.20 H new ATOM 0 HB2 ALA A 8 -3.598 -6.310 5.189 1.00 14.20 H new ATOM 0 HB3 ALA A 8 -3.311 -4.790 4.309 1.00 14.20 H new ATOM 127 N GLU A 9 -5.269 -5.897 1.550 1.00 53.23 N ATOM 128 CA GLU A 9 -5.847 -5.359 0.355 1.00 24.24 C ATOM 129 C GLU A 9 -6.913 -4.339 0.710 1.00 11.00 C ATOM 130 O GLU A 9 -7.323 -4.237 1.868 1.00 74.52 O ATOM 131 CB GLU A 9 -6.450 -6.496 -0.500 1.00 24.52 C ATOM 132 CG GLU A 9 -7.636 -7.250 0.122 1.00 2.20 C ATOM 133 CD GLU A 9 -7.255 -8.257 1.196 1.00 51.44 C ATOM 134 OE1 GLU A 9 -7.005 -9.428 0.855 1.00 34.20 O ATOM 135 OE2 GLU A 9 -7.235 -7.882 2.391 1.00 20.43 O ATOM 0 H GLU A 9 -5.927 -6.422 2.126 1.00 53.23 H new ATOM 0 HA GLU A 9 -5.069 -4.863 -0.226 1.00 24.24 H new ATOM 0 HB2 GLU A 9 -6.772 -6.076 -1.453 1.00 24.52 H new ATOM 0 HB3 GLU A 9 -5.662 -7.216 -0.719 1.00 24.52 H new ATOM 0 HG2 GLU A 9 -8.326 -6.524 0.552 1.00 2.20 H new ATOM 0 HG3 GLU A 9 -8.174 -7.770 -0.670 1.00 2.20 H new ATOM 142 N ALA A 10 -7.326 -3.569 -0.279 1.00 73.43 N ATOM 143 CA ALA A 10 -8.489 -2.710 -0.151 1.00 0.01 C ATOM 144 C ALA A 10 -9.763 -3.560 -0.181 1.00 41.32 C ATOM 145 O ALA A 10 -9.761 -4.676 -0.703 1.00 24.52 O ATOM 146 CB ALA A 10 -8.484 -1.669 -1.259 1.00 13.44 C ATOM 0 H ALA A 10 -6.868 -3.521 -1.189 1.00 73.43 H new ATOM 0 HA ALA A 10 -8.458 -2.183 0.803 1.00 0.01 H new ATOM 0 HB1 ALA A 10 -9.359 -1.027 -1.159 1.00 13.44 H new ATOM 0 HB2 ALA A 10 -7.580 -1.065 -1.186 1.00 13.44 H new ATOM 0 HB3 ALA A 10 -8.510 -2.168 -2.228 1.00 13.44 H new ATOM 152 N ASP A 11 -10.846 -3.052 0.395 1.00 31.02 N ATOM 153 CA ASP A 11 -12.111 -3.803 0.451 1.00 53.51 C ATOM 154 C ASP A 11 -12.838 -3.820 -0.898 1.00 72.34 C ATOM 155 O ASP A 11 -13.772 -4.600 -1.102 1.00 60.21 O ATOM 156 CB ASP A 11 -13.029 -3.240 1.539 1.00 51.12 C ATOM 157 CG ASP A 11 -12.818 -3.904 2.884 1.00 22.12 C ATOM 158 OD1 ASP A 11 -11.932 -3.463 3.640 1.00 51.44 O ATOM 159 OD2 ASP A 11 -13.553 -4.863 3.200 1.00 1.13 O ATOM 0 H ASP A 11 -10.882 -2.130 0.830 1.00 31.02 H new ATOM 0 HA ASP A 11 -11.856 -4.834 0.698 1.00 53.51 H new ATOM 0 HB2 ASP A 11 -12.855 -2.168 1.636 1.00 51.12 H new ATOM 0 HB3 ASP A 11 -14.068 -3.368 1.234 1.00 51.12 H new ATOM 164 N ASP A 12 -12.402 -2.956 -1.805 1.00 72.12 N ATOM 165 CA ASP A 12 -12.946 -2.879 -3.151 1.00 51.35 C ATOM 166 C ASP A 12 -11.834 -2.533 -4.144 1.00 72.11 C ATOM 167 O ASP A 12 -10.718 -2.192 -3.739 1.00 31.22 O ATOM 168 CB ASP A 12 -14.092 -1.843 -3.225 1.00 51.13 C ATOM 169 CG ASP A 12 -13.694 -0.425 -2.817 1.00 63.43 C ATOM 170 OD1 ASP A 12 -13.644 -0.135 -1.603 1.00 74.25 O ATOM 171 OD2 ASP A 12 -13.453 0.412 -3.710 1.00 13.35 O ATOM 0 H ASP A 12 -11.655 -2.285 -1.624 1.00 72.12 H new ATOM 0 HA ASP A 12 -13.361 -3.852 -3.415 1.00 51.35 H new ATOM 0 HB2 ASP A 12 -14.478 -1.819 -4.244 1.00 51.13 H new ATOM 0 HB3 ASP A 12 -14.908 -2.176 -2.583 1.00 51.13 H new ATOM 176 N PHE A 13 -12.131 -2.655 -5.435 1.00 54.32 N ATOM 177 CA PHE A 13 -11.209 -2.221 -6.483 1.00 25.33 C ATOM 178 C PHE A 13 -11.440 -0.747 -6.771 1.00 63.10 C ATOM 179 O PHE A 13 -12.558 -0.245 -6.622 1.00 53.03 O ATOM 180 CB PHE A 13 -11.399 -3.025 -7.781 1.00 65.14 C ATOM 181 CG PHE A 13 -11.106 -4.499 -7.677 1.00 1.14 C ATOM 182 CD1 PHE A 13 -9.820 -4.973 -7.860 1.00 2.14 C ATOM 183 CD2 PHE A 13 -12.118 -5.412 -7.423 1.00 4.25 C ATOM 184 CE1 PHE A 13 -9.545 -6.324 -7.792 1.00 14.30 C ATOM 185 CE2 PHE A 13 -11.847 -6.764 -7.352 1.00 61.11 C ATOM 186 CZ PHE A 13 -10.558 -7.220 -7.533 1.00 62.13 C ATOM 0 H PHE A 13 -13.004 -3.051 -5.782 1.00 54.32 H new ATOM 0 HA PHE A 13 -10.192 -2.390 -6.128 1.00 25.33 H new ATOM 0 HB2 PHE A 13 -12.428 -2.899 -8.119 1.00 65.14 H new ATOM 0 HB3 PHE A 13 -10.756 -2.597 -8.551 1.00 65.14 H new ATOM 0 HD1 PHE A 13 -9.019 -4.276 -8.059 1.00 2.14 H new ATOM 0 HD2 PHE A 13 -13.129 -5.062 -7.279 1.00 4.25 H new ATOM 0 HE1 PHE A 13 -8.536 -6.678 -7.942 1.00 14.30 H new ATOM 0 HE2 PHE A 13 -12.645 -7.465 -7.155 1.00 61.11 H new ATOM 0 HZ PHE A 13 -10.344 -8.277 -7.472 1.00 62.13 H new ATOM 196 N ASP A 14 -10.388 -0.059 -7.184 1.00 34.14 N ATOM 197 CA ASP A 14 -10.475 1.365 -7.489 1.00 35.01 C ATOM 198 C ASP A 14 -11.012 1.614 -8.895 1.00 52.32 C ATOM 199 O ASP A 14 -11.355 0.676 -9.623 1.00 61.45 O ATOM 200 CB ASP A 14 -9.108 2.032 -7.314 1.00 3.21 C ATOM 201 CG ASP A 14 -8.799 2.317 -5.855 1.00 12.12 C ATOM 202 OD1 ASP A 14 -8.823 1.376 -5.038 1.00 70.22 O ATOM 203 OD2 ASP A 14 -8.593 3.499 -5.504 1.00 3.34 O ATOM 0 H ASP A 14 -9.461 -0.462 -7.317 1.00 34.14 H new ATOM 0 HA ASP A 14 -11.180 1.808 -6.786 1.00 35.01 H new ATOM 0 HB2 ASP A 14 -8.334 1.387 -7.730 1.00 3.21 H new ATOM 0 HB3 ASP A 14 -9.084 2.964 -7.879 1.00 3.21 H new ATOM 208 N GLU A 15 -11.063 2.890 -9.275 1.00 61.02 N ATOM 209 CA GLU A 15 -11.623 3.308 -10.564 1.00 30.51 C ATOM 210 C GLU A 15 -10.687 3.025 -11.752 1.00 63.24 C ATOM 211 O GLU A 15 -11.119 3.091 -12.896 1.00 51.33 O ATOM 212 CB GLU A 15 -12.015 4.789 -10.523 1.00 55.22 C ATOM 213 CG GLU A 15 -10.922 5.717 -10.021 1.00 1.22 C ATOM 214 CD GLU A 15 -11.357 7.163 -10.004 1.00 13.13 C ATOM 215 OE1 GLU A 15 -12.332 7.488 -9.299 1.00 52.05 O ATOM 216 OE2 GLU A 15 -10.719 7.981 -10.691 1.00 33.14 O ATOM 0 H GLU A 15 -10.720 3.661 -8.703 1.00 61.02 H new ATOM 0 HA GLU A 15 -12.515 2.704 -10.727 1.00 30.51 H new ATOM 0 HB2 GLU A 15 -12.308 5.102 -11.525 1.00 55.22 H new ATOM 0 HB3 GLU A 15 -12.891 4.902 -9.885 1.00 55.22 H new ATOM 0 HG2 GLU A 15 -10.628 5.417 -9.015 1.00 1.22 H new ATOM 0 HG3 GLU A 15 -10.041 5.613 -10.655 1.00 1.22 H new ATOM 223 N SER A 16 -9.418 2.703 -11.490 1.00 54.22 N ATOM 224 CA SER A 16 -8.517 2.255 -12.553 1.00 65.35 C ATOM 225 C SER A 16 -8.482 0.724 -12.643 1.00 42.12 C ATOM 226 O SER A 16 -7.819 0.162 -13.522 1.00 4.20 O ATOM 227 CB SER A 16 -7.106 2.800 -12.348 1.00 13.41 C ATOM 228 OG SER A 16 -6.632 2.517 -11.039 1.00 22.30 O ATOM 0 H SER A 16 -8.995 2.743 -10.563 1.00 54.22 H new ATOM 0 HA SER A 16 -8.906 2.647 -13.493 1.00 65.35 H new ATOM 0 HB2 SER A 16 -6.433 2.361 -13.084 1.00 13.41 H new ATOM 0 HB3 SER A 16 -7.101 3.877 -12.514 1.00 13.41 H new ATOM 0 HG SER A 16 -5.726 2.875 -10.935 1.00 22.30 H new ATOM 234 N GLY A 17 -9.222 0.061 -11.747 1.00 23.12 N ATOM 235 CA GLY A 17 -9.319 -1.381 -11.763 1.00 42.25 C ATOM 236 C GLY A 17 -8.192 -2.047 -11.012 1.00 13.10 C ATOM 237 O GLY A 17 -7.692 -3.091 -11.432 1.00 55.22 O ATOM 0 H GLY A 17 -9.758 0.512 -11.006 1.00 23.12 H new ATOM 0 HA2 GLY A 17 -10.271 -1.682 -11.325 1.00 42.25 H new ATOM 0 HA3 GLY A 17 -9.319 -1.730 -12.796 1.00 42.25 H new ATOM 241 N TRP A 18 -7.779 -1.426 -9.915 1.00 71.23 N ATOM 242 CA TRP A 18 -6.722 -1.967 -9.080 1.00 43.13 C ATOM 243 C TRP A 18 -7.117 -1.931 -7.616 1.00 53.40 C ATOM 244 O TRP A 18 -7.537 -0.905 -7.098 1.00 71.04 O ATOM 245 CB TRP A 18 -5.405 -1.201 -9.275 1.00 62.32 C ATOM 246 CG TRP A 18 -4.771 -1.387 -10.623 1.00 34.43 C ATOM 247 CD1 TRP A 18 -4.847 -0.533 -11.682 1.00 31.14 C ATOM 248 CD2 TRP A 18 -3.974 -2.497 -11.061 1.00 55.14 C ATOM 249 NE1 TRP A 18 -4.128 -1.026 -12.737 1.00 71.54 N ATOM 250 CE2 TRP A 18 -3.584 -2.230 -12.385 1.00 41.32 C ATOM 251 CE3 TRP A 18 -3.544 -3.682 -10.463 1.00 42.23 C ATOM 252 CZ2 TRP A 18 -2.785 -3.107 -13.117 1.00 70.44 C ATOM 253 CZ3 TRP A 18 -2.756 -4.552 -11.189 1.00 44.01 C ATOM 254 CH2 TRP A 18 -2.380 -4.258 -12.502 1.00 71.23 C ATOM 0 H TRP A 18 -8.165 -0.542 -9.584 1.00 71.23 H new ATOM 0 HA TRP A 18 -6.570 -3.003 -9.384 1.00 43.13 H new ATOM 0 HB2 TRP A 18 -5.591 -0.138 -9.118 1.00 62.32 H new ATOM 0 HB3 TRP A 18 -4.698 -1.518 -8.508 1.00 62.32 H new ATOM 0 HD1 TRP A 18 -5.395 0.398 -11.688 1.00 31.14 H new ATOM 0 HE1 TRP A 18 -4.016 -0.568 -13.642 1.00 71.54 H new ATOM 0 HE3 TRP A 18 -3.824 -3.915 -9.446 1.00 42.23 H new ATOM 0 HZ2 TRP A 18 -2.496 -2.885 -14.134 1.00 70.44 H new ATOM 0 HZ3 TRP A 18 -2.425 -5.474 -10.735 1.00 44.01 H new ATOM 0 HH2 TRP A 18 -1.756 -4.955 -13.042 1.00 71.23 H new ATOM 265 N LYS A 19 -7.005 -3.073 -6.973 1.00 25.15 N ATOM 266 CA LYS A 19 -7.169 -3.178 -5.544 1.00 63.31 C ATOM 267 C LYS A 19 -5.807 -3.011 -4.922 1.00 71.01 C ATOM 268 O LYS A 19 -4.960 -3.890 -5.049 1.00 32.10 O ATOM 269 CB LYS A 19 -7.767 -4.534 -5.177 1.00 10.32 C ATOM 270 CG LYS A 19 -7.983 -4.748 -3.693 1.00 73.43 C ATOM 271 CD LYS A 19 -8.635 -6.091 -3.413 1.00 42.33 C ATOM 272 CE LYS A 19 -10.109 -6.088 -3.773 1.00 61.41 C ATOM 273 NZ LYS A 19 -10.765 -7.361 -3.390 1.00 21.12 N ATOM 0 H LYS A 19 -6.796 -3.959 -7.433 1.00 25.15 H new ATOM 0 HA LYS A 19 -7.851 -2.411 -5.176 1.00 63.31 H new ATOM 0 HB2 LYS A 19 -8.723 -4.645 -5.690 1.00 10.32 H new ATOM 0 HB3 LYS A 19 -7.111 -5.319 -5.552 1.00 10.32 H new ATOM 0 HG2 LYS A 19 -7.027 -4.691 -3.173 1.00 73.43 H new ATOM 0 HG3 LYS A 19 -8.609 -3.949 -3.296 1.00 73.43 H new ATOM 0 HD2 LYS A 19 -8.124 -6.869 -3.981 1.00 42.33 H new ATOM 0 HD3 LYS A 19 -8.519 -6.338 -2.358 1.00 42.33 H new ATOM 0 HE2 LYS A 19 -10.605 -5.257 -3.272 1.00 61.41 H new ATOM 0 HE3 LYS A 19 -10.222 -5.927 -4.845 1.00 61.41 H new ATOM 0 HZ1 LYS A 19 -11.771 -7.325 -3.650 1.00 21.12 H new ATOM 0 HZ2 LYS A 19 -10.307 -8.151 -3.887 1.00 21.12 H new ATOM 0 HZ3 LYS A 19 -10.678 -7.501 -2.363 1.00 21.12 H new ATOM 287 N ASP A 20 -5.599 -1.878 -4.283 1.00 43.32 N ATOM 288 CA ASP A 20 -4.305 -1.552 -3.710 1.00 1.24 C ATOM 289 C ASP A 20 -3.978 -2.469 -2.553 1.00 20.40 C ATOM 290 O ASP A 20 -4.835 -2.764 -1.721 1.00 42.15 O ATOM 291 CB ASP A 20 -4.280 -0.105 -3.250 1.00 74.42 C ATOM 292 CG ASP A 20 -4.274 0.862 -4.407 1.00 42.11 C ATOM 293 OD1 ASP A 20 -3.229 0.977 -5.076 1.00 44.33 O ATOM 294 OD2 ASP A 20 -5.302 1.522 -4.630 1.00 45.24 O ATOM 0 H ASP A 20 -6.313 -1.162 -4.146 1.00 43.32 H new ATOM 0 HA ASP A 20 -3.549 -1.692 -4.483 1.00 1.24 H new ATOM 0 HB2 ASP A 20 -5.149 0.089 -2.621 1.00 74.42 H new ATOM 0 HB3 ASP A 20 -3.397 0.063 -2.634 1.00 74.42 H new ATOM 299 N THR A 21 -2.753 -2.968 -2.543 1.00 24.12 N ATOM 300 CA THR A 21 -2.299 -3.831 -1.477 1.00 21.52 C ATOM 301 C THR A 21 -0.990 -3.306 -0.912 1.00 72.43 C ATOM 302 O THR A 21 -0.093 -2.891 -1.652 1.00 1.32 O ATOM 303 CB THR A 21 -2.122 -5.314 -1.917 1.00 24.24 C ATOM 304 OG1 THR A 21 -1.120 -5.436 -2.921 1.00 22.22 O ATOM 305 CG2 THR A 21 -3.416 -5.904 -2.448 1.00 54.02 C ATOM 0 H THR A 21 -2.057 -2.787 -3.266 1.00 24.12 H new ATOM 0 HA THR A 21 -3.077 -3.820 -0.714 1.00 21.52 H new ATOM 0 HB THR A 21 -1.820 -5.865 -1.027 1.00 24.24 H new ATOM 0 HG1 THR A 21 -1.028 -6.377 -3.178 1.00 22.22 H new ATOM 0 HG21 THR A 21 -3.249 -6.940 -2.744 1.00 54.02 H new ATOM 0 HG22 THR A 21 -4.179 -5.867 -1.670 1.00 54.02 H new ATOM 0 HG23 THR A 21 -3.751 -5.329 -3.312 1.00 54.02 H new ATOM 313 N VAL A 22 -0.899 -3.315 0.400 1.00 60.01 N ATOM 314 CA VAL A 22 0.299 -2.886 1.089 1.00 10.43 C ATOM 315 C VAL A 22 0.850 -4.066 1.855 1.00 43.22 C ATOM 316 O VAL A 22 0.256 -4.549 2.826 1.00 11.33 O ATOM 317 CB VAL A 22 0.033 -1.668 2.011 1.00 24.12 C ATOM 318 CG1 VAL A 22 1.252 -1.301 2.843 1.00 42.21 C ATOM 319 CG2 VAL A 22 -0.388 -0.471 1.175 1.00 22.43 C ATOM 0 H VAL A 22 -1.651 -3.619 1.018 1.00 60.01 H new ATOM 0 HA VAL A 22 1.037 -2.547 0.362 1.00 10.43 H new ATOM 0 HB VAL A 22 -0.766 -1.948 2.697 1.00 24.12 H new ATOM 0 HG11 VAL A 22 1.018 -0.443 3.473 1.00 42.21 H new ATOM 0 HG12 VAL A 22 1.532 -2.147 3.471 1.00 42.21 H new ATOM 0 HG13 VAL A 22 2.082 -1.050 2.182 1.00 42.21 H new ATOM 0 HG21 VAL A 22 -0.574 0.382 1.828 1.00 22.43 H new ATOM 0 HG22 VAL A 22 0.405 -0.222 0.470 1.00 22.43 H new ATOM 0 HG23 VAL A 22 -1.298 -0.713 0.626 1.00 22.43 H new ATOM 329 N THR A 23 1.960 -4.554 1.354 1.00 72.14 N ATOM 330 CA THR A 23 2.583 -5.733 1.877 1.00 52.32 C ATOM 331 C THR A 23 3.694 -5.343 2.851 1.00 70.32 C ATOM 332 O THR A 23 4.734 -4.839 2.461 1.00 51.43 O ATOM 333 CB THR A 23 3.143 -6.587 0.724 1.00 54.45 C ATOM 334 OG1 THR A 23 2.227 -6.591 -0.383 1.00 10.32 O ATOM 335 CG2 THR A 23 3.363 -8.010 1.178 1.00 43.02 C ATOM 0 H THR A 23 2.455 -4.136 0.566 1.00 72.14 H new ATOM 0 HA THR A 23 1.842 -6.325 2.415 1.00 52.32 H new ATOM 0 HB THR A 23 4.094 -6.153 0.414 1.00 54.45 H new ATOM 0 HG1 THR A 23 2.729 -6.536 -1.223 1.00 10.32 H new ATOM 0 HG21 THR A 23 3.759 -8.599 0.351 1.00 43.02 H new ATOM 0 HG22 THR A 23 4.073 -8.022 2.005 1.00 43.02 H new ATOM 0 HG23 THR A 23 2.416 -8.437 1.507 1.00 43.02 H new ATOM 343 N ILE A 24 3.458 -5.610 4.115 1.00 2.13 N ATOM 344 CA ILE A 24 4.351 -5.229 5.190 1.00 12.00 C ATOM 345 C ILE A 24 5.329 -6.358 5.437 1.00 32.35 C ATOM 346 O ILE A 24 4.930 -7.452 5.823 1.00 13.33 O ATOM 347 CB ILE A 24 3.550 -4.942 6.490 1.00 50.15 C ATOM 348 CG1 ILE A 24 2.504 -3.843 6.249 1.00 63.43 C ATOM 349 CG2 ILE A 24 4.474 -4.572 7.650 1.00 31.21 C ATOM 350 CD1 ILE A 24 3.080 -2.461 6.006 1.00 23.01 C ATOM 0 H ILE A 24 2.626 -6.107 4.433 1.00 2.13 H new ATOM 0 HA ILE A 24 4.886 -4.322 4.906 1.00 12.00 H new ATOM 0 HB ILE A 24 3.029 -5.858 6.768 1.00 50.15 H new ATOM 0 HG12 ILE A 24 1.894 -4.123 5.390 1.00 63.43 H new ATOM 0 HG13 ILE A 24 1.839 -3.798 7.112 1.00 63.43 H new ATOM 0 HG21 ILE A 24 3.878 -4.378 8.542 1.00 31.21 H new ATOM 0 HG22 ILE A 24 5.161 -5.395 7.844 1.00 31.21 H new ATOM 0 HG23 ILE A 24 5.042 -3.678 7.392 1.00 31.21 H new ATOM 0 HD11 ILE A 24 2.268 -1.751 5.846 1.00 23.01 H new ATOM 0 HD12 ILE A 24 3.665 -2.153 6.872 1.00 23.01 H new ATOM 0 HD13 ILE A 24 3.721 -2.484 5.125 1.00 23.01 H new ATOM 362 N GLU A 25 6.601 -6.088 5.229 1.00 14.54 N ATOM 363 CA GLU A 25 7.608 -7.105 5.392 1.00 44.15 C ATOM 364 C GLU A 25 8.160 -7.048 6.800 1.00 0.12 C ATOM 365 O GLU A 25 8.862 -6.109 7.181 1.00 3.12 O ATOM 366 CB GLU A 25 8.731 -6.926 4.377 1.00 32.12 C ATOM 367 CG GLU A 25 9.837 -7.946 4.521 1.00 32.44 C ATOM 368 CD GLU A 25 9.415 -9.331 4.074 1.00 73.54 C ATOM 369 OE1 GLU A 25 9.254 -9.546 2.861 1.00 31.31 O ATOM 370 OE2 GLU A 25 9.225 -10.203 4.943 1.00 20.20 O ATOM 0 H GLU A 25 6.957 -5.175 4.948 1.00 14.54 H new ATOM 0 HA GLU A 25 7.152 -8.080 5.221 1.00 44.15 H new ATOM 0 HB2 GLU A 25 8.316 -6.991 3.371 1.00 32.12 H new ATOM 0 HB3 GLU A 25 9.152 -5.926 4.484 1.00 32.12 H new ATOM 0 HG2 GLU A 25 10.699 -7.626 3.936 1.00 32.44 H new ATOM 0 HG3 GLU A 25 10.156 -7.986 5.563 1.00 32.44 H new ATOM 377 N VAL A 26 7.812 -8.058 7.567 1.00 30.30 N ATOM 378 CA VAL A 26 8.269 -8.168 8.925 1.00 35.42 C ATOM 379 C VAL A 26 9.386 -9.188 8.985 1.00 74.34 C ATOM 380 O VAL A 26 9.302 -10.266 8.404 1.00 5.33 O ATOM 381 CB VAL A 26 7.115 -8.543 9.899 1.00 12.33 C ATOM 382 CG1 VAL A 26 7.583 -8.614 11.345 1.00 32.12 C ATOM 383 CG2 VAL A 26 5.976 -7.553 9.774 1.00 55.12 C ATOM 0 H VAL A 26 7.206 -8.821 7.264 1.00 30.30 H new ATOM 0 HA VAL A 26 8.642 -7.196 9.249 1.00 35.42 H new ATOM 0 HB VAL A 26 6.767 -9.536 9.616 1.00 12.33 H new ATOM 0 HG11 VAL A 26 6.743 -8.879 11.987 1.00 32.12 H new ATOM 0 HG12 VAL A 26 8.363 -9.370 11.438 1.00 32.12 H new ATOM 0 HG13 VAL A 26 7.979 -7.644 11.647 1.00 32.12 H new ATOM 0 HG21 VAL A 26 5.177 -7.829 10.462 1.00 55.12 H new ATOM 0 HG22 VAL A 26 6.335 -6.553 10.017 1.00 55.12 H new ATOM 0 HG23 VAL A 26 5.595 -7.563 8.753 1.00 55.12 H new ATOM 393 N LYS A 27 10.452 -8.807 9.646 1.00 41.35 N ATOM 394 CA LYS A 27 11.595 -9.650 9.802 1.00 34.50 C ATOM 395 C LYS A 27 12.273 -9.309 11.098 1.00 11.42 C ATOM 396 O LYS A 27 12.519 -8.128 11.375 1.00 0.23 O ATOM 397 CB LYS A 27 12.542 -9.455 8.630 1.00 20.44 C ATOM 398 CG LYS A 27 13.393 -10.671 8.343 1.00 1.41 C ATOM 399 CD LYS A 27 13.800 -10.749 6.878 1.00 21.31 C ATOM 400 CE LYS A 27 12.604 -10.585 5.932 1.00 71.33 C ATOM 401 NZ LYS A 27 11.520 -11.585 6.175 1.00 12.11 N ATOM 0 H LYS A 27 10.544 -7.894 10.092 1.00 41.35 H new ATOM 0 HA LYS A 27 11.291 -10.697 9.822 1.00 34.50 H new ATOM 0 HB2 LYS A 27 11.963 -9.207 7.741 1.00 20.44 H new ATOM 0 HB3 LYS A 27 13.192 -8.604 8.834 1.00 20.44 H new ATOM 0 HG2 LYS A 27 14.287 -10.644 8.967 1.00 1.41 H new ATOM 0 HG3 LYS A 27 12.842 -11.571 8.615 1.00 1.41 H new ATOM 0 HD2 LYS A 27 14.537 -9.974 6.666 1.00 21.31 H new ATOM 0 HD3 LYS A 27 14.282 -11.708 6.688 1.00 21.31 H new ATOM 0 HE2 LYS A 27 12.195 -9.581 6.044 1.00 71.33 H new ATOM 0 HE3 LYS A 27 12.949 -10.675 4.902 1.00 71.33 H new ATOM 0 HZ1 LYS A 27 10.665 -11.304 5.654 1.00 12.11 H new ATOM 0 HZ2 LYS A 27 11.832 -12.522 5.848 1.00 12.11 H new ATOM 0 HZ3 LYS A 27 11.308 -11.627 7.192 1.00 12.11 H new ATOM 415 N ASN A 28 12.543 -10.353 11.890 1.00 11.41 N ATOM 416 CA ASN A 28 13.181 -10.235 13.206 1.00 53.22 C ATOM 417 C ASN A 28 12.292 -9.427 14.177 1.00 4.15 C ATOM 418 O ASN A 28 12.781 -8.675 15.028 1.00 54.32 O ATOM 419 CB ASN A 28 14.588 -9.625 13.058 1.00 42.11 C ATOM 420 CG ASN A 28 15.574 -10.548 12.355 1.00 62.22 C ATOM 421 OD1 ASN A 28 16.208 -11.396 12.977 1.00 0.15 O ATOM 422 ND2 ASN A 28 15.726 -10.365 11.050 1.00 60.42 N ATOM 0 H ASN A 28 12.322 -11.315 11.632 1.00 11.41 H new ATOM 0 HA ASN A 28 13.296 -11.229 13.638 1.00 53.22 H new ATOM 0 HB2 ASN A 28 14.515 -8.691 12.501 1.00 42.11 H new ATOM 0 HB3 ASN A 28 14.975 -9.377 14.046 1.00 42.11 H new ATOM 0 HD21 ASN A 28 16.388 -10.939 10.528 1.00 60.42 H new ATOM 0 HD22 ASN A 28 15.181 -9.650 10.568 1.00 60.42 H new ATOM 429 N GLY A 29 10.970 -9.614 14.031 1.00 51.41 N ATOM 430 CA GLY A 29 9.992 -8.951 14.883 1.00 21.34 C ATOM 431 C GLY A 29 9.445 -7.638 14.328 1.00 52.15 C ATOM 432 O GLY A 29 8.272 -7.324 14.535 1.00 3.43 O ATOM 0 H GLY A 29 10.561 -10.224 13.324 1.00 51.41 H new ATOM 0 HA2 GLY A 29 9.158 -9.632 15.054 1.00 21.34 H new ATOM 0 HA3 GLY A 29 10.449 -8.757 15.853 1.00 21.34 H new ATOM 436 N LYS A 30 10.272 -6.886 13.607 1.00 50.01 N ATOM 437 CA LYS A 30 9.917 -5.526 13.187 1.00 72.12 C ATOM 438 C LYS A 30 9.797 -5.413 11.673 1.00 34.21 C ATOM 439 O LYS A 30 10.146 -6.332 10.959 1.00 74.21 O ATOM 440 CB LYS A 30 10.962 -4.521 13.689 1.00 64.45 C ATOM 441 CG LYS A 30 12.405 -4.890 13.337 1.00 0.44 C ATOM 442 CD LYS A 30 13.359 -3.709 13.484 1.00 55.21 C ATOM 443 CE LYS A 30 13.340 -3.110 14.886 1.00 62.12 C ATOM 444 NZ LYS A 30 13.784 -4.073 15.926 1.00 44.12 N ATOM 0 H LYS A 30 11.195 -7.192 13.299 1.00 50.01 H new ATOM 0 HA LYS A 30 8.945 -5.298 13.625 1.00 72.12 H new ATOM 0 HB2 LYS A 30 10.737 -3.540 13.271 1.00 64.45 H new ATOM 0 HB3 LYS A 30 10.875 -4.433 14.772 1.00 64.45 H new ATOM 0 HG2 LYS A 30 12.737 -5.704 13.982 1.00 0.44 H new ATOM 0 HG3 LYS A 30 12.443 -5.259 12.312 1.00 0.44 H new ATOM 0 HD2 LYS A 30 14.372 -4.033 13.245 1.00 55.21 H new ATOM 0 HD3 LYS A 30 13.092 -2.939 12.760 1.00 55.21 H new ATOM 0 HE2 LYS A 30 13.985 -2.232 14.910 1.00 62.12 H new ATOM 0 HE3 LYS A 30 12.331 -2.770 15.118 1.00 62.12 H new ATOM 0 HZ1 LYS A 30 13.785 -3.605 16.855 1.00 44.12 H new ATOM 0 HZ2 LYS A 30 13.134 -4.885 15.948 1.00 44.12 H new ATOM 0 HZ3 LYS A 30 14.745 -4.404 15.705 1.00 44.12 H new ATOM 458 N ILE A 31 9.325 -4.267 11.190 1.00 60.41 N ATOM 459 CA ILE A 31 9.212 -4.030 9.756 1.00 42.25 C ATOM 460 C ILE A 31 10.575 -3.619 9.202 1.00 23.10 C ATOM 461 O ILE A 31 11.150 -2.633 9.639 1.00 1.02 O ATOM 462 CB ILE A 31 8.178 -2.920 9.422 1.00 74.43 C ATOM 463 CG1 ILE A 31 6.857 -3.144 10.178 1.00 12.24 C ATOM 464 CG2 ILE A 31 7.925 -2.879 7.914 1.00 2.23 C ATOM 465 CD1 ILE A 31 5.922 -1.947 10.149 1.00 10.35 C ATOM 0 H ILE A 31 9.015 -3.489 11.772 1.00 60.41 H new ATOM 0 HA ILE A 31 8.869 -4.957 9.297 1.00 42.25 H new ATOM 0 HB ILE A 31 8.590 -1.963 9.743 1.00 74.43 H new ATOM 0 HG12 ILE A 31 6.344 -4.004 9.747 1.00 12.24 H new ATOM 0 HG13 ILE A 31 7.081 -3.393 11.215 1.00 12.24 H new ATOM 0 HG21 ILE A 31 7.199 -2.098 7.688 1.00 2.23 H new ATOM 0 HG22 ILE A 31 8.859 -2.667 7.394 1.00 2.23 H new ATOM 0 HG23 ILE A 31 7.536 -3.842 7.584 1.00 2.23 H new ATOM 0 HD11 ILE A 31 5.013 -2.182 10.703 1.00 10.35 H new ATOM 0 HD12 ILE A 31 6.415 -1.089 10.607 1.00 10.35 H new ATOM 0 HD13 ILE A 31 5.667 -1.710 9.116 1.00 10.35 H new ATOM 477 N VAL A 32 11.096 -4.376 8.252 1.00 3.35 N ATOM 478 CA VAL A 32 12.388 -4.047 7.658 1.00 13.43 C ATOM 479 C VAL A 32 12.221 -3.209 6.385 1.00 12.34 C ATOM 480 O VAL A 32 13.121 -2.447 6.016 1.00 70.22 O ATOM 481 CB VAL A 32 13.248 -5.308 7.379 1.00 20.24 C ATOM 482 CG1 VAL A 32 13.637 -5.967 8.691 1.00 52.44 C ATOM 483 CG2 VAL A 32 12.530 -6.312 6.481 1.00 75.15 C ATOM 0 H VAL A 32 10.653 -5.214 7.876 1.00 3.35 H new ATOM 0 HA VAL A 32 12.924 -3.448 8.394 1.00 13.43 H new ATOM 0 HB VAL A 32 14.143 -4.983 6.849 1.00 20.24 H new ATOM 0 HG11 VAL A 32 14.241 -6.852 8.489 1.00 52.44 H new ATOM 0 HG12 VAL A 32 14.213 -5.265 9.294 1.00 52.44 H new ATOM 0 HG13 VAL A 32 12.737 -6.258 9.233 1.00 52.44 H new ATOM 0 HG21 VAL A 32 13.173 -7.177 6.315 1.00 75.15 H new ATOM 0 HG22 VAL A 32 11.606 -6.634 6.961 1.00 75.15 H new ATOM 0 HG23 VAL A 32 12.298 -5.844 5.524 1.00 75.15 H new ATOM 493 N SER A 33 11.048 -3.335 5.751 1.00 72.11 N ATOM 494 CA SER A 33 10.720 -2.634 4.508 1.00 42.21 C ATOM 495 C SER A 33 9.249 -2.886 4.169 1.00 32.34 C ATOM 496 O SER A 33 8.613 -3.750 4.765 1.00 10.43 O ATOM 497 CB SER A 33 11.617 -3.110 3.354 1.00 4.11 C ATOM 498 OG SER A 33 11.523 -2.266 2.217 1.00 52.35 O ATOM 0 H SER A 33 10.295 -3.932 6.092 1.00 72.11 H new ATOM 0 HA SER A 33 10.892 -1.567 4.646 1.00 42.21 H new ATOM 0 HB2 SER A 33 12.652 -3.146 3.692 1.00 4.11 H new ATOM 0 HB3 SER A 33 11.337 -4.126 3.074 1.00 4.11 H new ATOM 0 HG SER A 33 11.837 -2.749 1.424 1.00 52.35 H new ATOM 504 N VAL A 34 8.710 -2.129 3.227 1.00 2.13 N ATOM 505 CA VAL A 34 7.324 -2.291 2.818 1.00 20.22 C ATOM 506 C VAL A 34 7.221 -2.329 1.283 1.00 21.22 C ATOM 507 O VAL A 34 7.954 -1.645 0.568 1.00 23.10 O ATOM 508 CB VAL A 34 6.409 -1.201 3.466 1.00 25.42 C ATOM 509 CG1 VAL A 34 6.864 0.194 3.117 1.00 71.11 C ATOM 510 CG2 VAL A 34 4.946 -1.377 3.091 1.00 22.44 C ATOM 0 H VAL A 34 9.213 -1.394 2.730 1.00 2.13 H new ATOM 0 HA VAL A 34 6.956 -3.249 3.187 1.00 20.22 H new ATOM 0 HB VAL A 34 6.500 -1.336 4.544 1.00 25.42 H new ATOM 0 HG11 VAL A 34 6.202 0.921 3.587 1.00 71.11 H new ATOM 0 HG12 VAL A 34 7.882 0.345 3.476 1.00 71.11 H new ATOM 0 HG13 VAL A 34 6.838 0.325 2.035 1.00 71.11 H new ATOM 0 HG21 VAL A 34 4.352 -0.596 3.566 1.00 22.44 H new ATOM 0 HG22 VAL A 34 4.837 -1.308 2.009 1.00 22.44 H new ATOM 0 HG23 VAL A 34 4.599 -2.353 3.429 1.00 22.44 H new ATOM 520 N ASP A 35 6.332 -3.187 0.816 1.00 11.44 N ATOM 521 CA ASP A 35 6.119 -3.468 -0.593 1.00 2.44 C ATOM 522 C ASP A 35 4.788 -2.878 -1.040 1.00 0.25 C ATOM 523 O ASP A 35 3.787 -2.979 -0.329 1.00 63.23 O ATOM 524 CB ASP A 35 6.147 -4.995 -0.789 1.00 22.32 C ATOM 525 CG ASP A 35 5.742 -5.474 -2.173 1.00 12.25 C ATOM 526 OD1 ASP A 35 6.390 -5.076 -3.154 1.00 62.13 O ATOM 527 OD2 ASP A 35 4.798 -6.292 -2.261 1.00 74.44 O ATOM 0 H ASP A 35 5.718 -3.725 1.427 1.00 11.44 H new ATOM 0 HA ASP A 35 6.902 -3.014 -1.200 1.00 2.44 H new ATOM 0 HB2 ASP A 35 7.154 -5.355 -0.577 1.00 22.32 H new ATOM 0 HB3 ASP A 35 5.484 -5.452 -0.055 1.00 22.32 H new ATOM 532 N TRP A 36 4.790 -2.240 -2.197 1.00 3.30 N ATOM 533 CA TRP A 36 3.571 -1.713 -2.772 1.00 1.14 C ATOM 534 C TRP A 36 3.199 -2.474 -4.036 1.00 31.14 C ATOM 535 O TRP A 36 3.963 -2.547 -5.004 1.00 65.03 O ATOM 536 CB TRP A 36 3.634 -0.187 -2.998 1.00 3.02 C ATOM 537 CG TRP A 36 4.991 0.393 -3.315 1.00 4.41 C ATOM 538 CD1 TRP A 36 5.919 0.827 -2.410 1.00 61.23 C ATOM 539 CD2 TRP A 36 5.549 0.647 -4.612 1.00 54.35 C ATOM 540 NE1 TRP A 36 7.018 1.319 -3.063 1.00 74.44 N ATOM 541 CE2 TRP A 36 6.820 1.221 -4.411 1.00 43.44 C ATOM 542 CE3 TRP A 36 5.109 0.440 -5.922 1.00 35.03 C ATOM 543 CZ2 TRP A 36 7.647 1.591 -5.468 1.00 53.12 C ATOM 544 CZ3 TRP A 36 5.928 0.807 -6.968 1.00 53.32 C ATOM 545 CH2 TRP A 36 7.185 1.376 -6.736 1.00 72.32 C ATOM 0 H TRP A 36 5.627 -2.075 -2.756 1.00 3.30 H new ATOM 0 HA TRP A 36 2.772 -1.868 -2.047 1.00 1.14 H new ATOM 0 HB2 TRP A 36 2.957 0.065 -3.814 1.00 3.02 H new ATOM 0 HB3 TRP A 36 3.253 0.306 -2.104 1.00 3.02 H new ATOM 0 HD1 TRP A 36 5.803 0.788 -1.337 1.00 61.23 H new ATOM 0 HE1 TRP A 36 7.852 1.698 -2.614 1.00 74.44 H new ATOM 0 HE3 TRP A 36 4.142 -0.001 -6.112 1.00 35.03 H new ATOM 0 HZ2 TRP A 36 8.617 2.031 -5.292 1.00 53.12 H new ATOM 0 HZ3 TRP A 36 5.594 0.653 -7.983 1.00 53.32 H new ATOM 0 HH2 TRP A 36 7.804 1.651 -7.577 1.00 72.32 H new ATOM 556 N ASN A 37 2.006 -3.048 -3.994 1.00 23.12 N ATOM 557 CA ASN A 37 1.537 -3.984 -5.003 1.00 63.25 C ATOM 558 C ASN A 37 0.040 -3.724 -5.238 1.00 70.41 C ATOM 559 O ASN A 37 -0.531 -2.840 -4.590 1.00 72.35 O ATOM 560 CB ASN A 37 1.797 -5.406 -4.466 1.00 4.41 C ATOM 561 CG ASN A 37 2.165 -6.432 -5.522 1.00 72.32 C ATOM 562 OD1 ASN A 37 1.617 -6.460 -6.623 1.00 72.34 O ATOM 563 ND2 ASN A 37 3.133 -7.272 -5.189 1.00 10.14 N ATOM 0 H ASN A 37 1.330 -2.875 -3.250 1.00 23.12 H new ATOM 0 HA ASN A 37 2.054 -3.867 -5.956 1.00 63.25 H new ATOM 0 HB2 ASN A 37 2.600 -5.359 -3.731 1.00 4.41 H new ATOM 0 HB3 ASN A 37 0.905 -5.749 -3.942 1.00 4.41 H new ATOM 0 HD21 ASN A 37 3.450 -7.975 -5.856 1.00 10.14 H new ATOM 0 HD22 ASN A 37 3.562 -7.216 -4.265 1.00 10.14 H new ATOM 570 N ALA A 38 -0.598 -4.467 -6.153 1.00 60.21 N ATOM 571 CA ALA A 38 -2.041 -4.337 -6.396 1.00 23.03 C ATOM 572 C ALA A 38 -2.618 -5.590 -7.079 1.00 40.34 C ATOM 573 O ALA A 38 -1.873 -6.427 -7.585 1.00 10.52 O ATOM 574 CB ALA A 38 -2.333 -3.095 -7.236 1.00 50.22 C ATOM 0 H ALA A 38 -0.137 -5.165 -6.737 1.00 60.21 H new ATOM 0 HA ALA A 38 -2.528 -4.232 -5.427 1.00 23.03 H new ATOM 0 HB1 ALA A 38 -3.407 -3.015 -7.406 1.00 50.22 H new ATOM 0 HB2 ALA A 38 -1.982 -2.208 -6.708 1.00 50.22 H new ATOM 0 HB3 ALA A 38 -1.819 -3.174 -8.194 1.00 50.22 H new ATOM 580 N ILE A 39 -3.950 -5.701 -7.071 1.00 65.01 N ATOM 581 CA ILE A 39 -4.680 -6.820 -7.685 1.00 60.42 C ATOM 582 C ILE A 39 -5.590 -6.267 -8.792 1.00 54.33 C ATOM 583 O ILE A 39 -6.192 -5.218 -8.617 1.00 72.32 O ATOM 584 CB ILE A 39 -5.537 -7.579 -6.622 1.00 21.23 C ATOM 585 CG1 ILE A 39 -4.681 -7.925 -5.394 1.00 50.31 C ATOM 586 CG2 ILE A 39 -6.144 -8.848 -7.214 1.00 60.31 C ATOM 587 CD1 ILE A 39 -5.452 -8.528 -4.236 1.00 5.33 C ATOM 0 H ILE A 39 -4.560 -5.010 -6.634 1.00 65.01 H new ATOM 0 HA ILE A 39 -3.963 -7.526 -8.104 1.00 60.42 H new ATOM 0 HB ILE A 39 -6.351 -6.923 -6.313 1.00 21.23 H new ATOM 0 HG12 ILE A 39 -3.901 -8.623 -5.697 1.00 50.31 H new ATOM 0 HG13 ILE A 39 -4.182 -7.020 -5.049 1.00 50.31 H new ATOM 0 HG21 ILE A 39 -6.736 -9.357 -6.453 1.00 60.31 H new ATOM 0 HG22 ILE A 39 -6.784 -8.586 -8.057 1.00 60.31 H new ATOM 0 HG23 ILE A 39 -5.346 -9.508 -7.555 1.00 60.31 H new ATOM 0 HD11 ILE A 39 -4.768 -8.740 -3.414 1.00 5.33 H new ATOM 0 HD12 ILE A 39 -6.214 -7.825 -3.901 1.00 5.33 H new ATOM 0 HD13 ILE A 39 -5.929 -9.453 -4.559 1.00 5.33 H new ATOM 599 N ASN A 40 -5.697 -6.957 -9.923 1.00 22.44 N ATOM 600 CA ASN A 40 -6.387 -6.409 -11.089 1.00 53.31 C ATOM 601 C ASN A 40 -7.873 -6.811 -11.136 1.00 73.44 C ATOM 602 O ASN A 40 -8.221 -7.977 -10.955 1.00 32.33 O ATOM 603 CB ASN A 40 -5.652 -6.856 -12.354 1.00 72.45 C ATOM 604 CG ASN A 40 -6.113 -6.139 -13.598 1.00 23.40 C ATOM 605 OD1 ASN A 40 -6.888 -6.675 -14.374 1.00 72.51 O ATOM 606 ND2 ASN A 40 -5.653 -4.913 -13.778 1.00 72.43 N ATOM 0 H ASN A 40 -5.317 -7.894 -10.058 1.00 22.44 H new ATOM 0 HA ASN A 40 -6.373 -5.321 -11.019 1.00 53.31 H new ATOM 0 HB2 ASN A 40 -4.583 -6.689 -12.222 1.00 72.45 H new ATOM 0 HB3 ASN A 40 -5.793 -7.928 -12.488 1.00 72.45 H new ATOM 0 HD21 ASN A 40 -5.945 -4.373 -14.593 1.00 72.43 H new ATOM 0 HD22 ASN A 40 -5.006 -4.506 -13.102 1.00 72.43 H new ATOM 613 N LYS A 41 -8.727 -5.814 -11.396 1.00 5.23 N ATOM 614 CA LYS A 41 -10.186 -5.989 -11.470 1.00 42.53 C ATOM 615 C LYS A 41 -10.617 -6.589 -12.808 1.00 53.43 C ATOM 616 O LYS A 41 -11.533 -7.419 -12.861 1.00 52.11 O ATOM 617 CB LYS A 41 -10.879 -4.626 -11.297 1.00 22.15 C ATOM 618 CG LYS A 41 -12.398 -4.693 -11.279 1.00 12.42 C ATOM 619 CD LYS A 41 -13.033 -3.316 -11.373 1.00 62.04 C ATOM 620 CE LYS A 41 -14.546 -3.430 -11.429 1.00 54.12 C ATOM 621 NZ LYS A 41 -15.216 -2.108 -11.478 1.00 32.45 N ATOM 0 H LYS A 41 -8.424 -4.854 -11.563 1.00 5.23 H new ATOM 0 HA LYS A 41 -10.476 -6.674 -10.673 1.00 42.53 H new ATOM 0 HB2 LYS A 41 -10.536 -4.173 -10.367 1.00 22.15 H new ATOM 0 HB3 LYS A 41 -10.566 -3.967 -12.107 1.00 22.15 H new ATOM 0 HG2 LYS A 41 -12.743 -5.308 -12.110 1.00 12.42 H new ATOM 0 HG3 LYS A 41 -12.728 -5.182 -10.362 1.00 12.42 H new ATOM 0 HD2 LYS A 41 -12.739 -2.714 -10.513 1.00 62.04 H new ATOM 0 HD3 LYS A 41 -12.668 -2.801 -12.262 1.00 62.04 H new ATOM 0 HE2 LYS A 41 -14.831 -4.010 -12.307 1.00 54.12 H new ATOM 0 HE3 LYS A 41 -14.898 -3.979 -10.556 1.00 54.12 H new ATOM 0 HZ1 LYS A 41 -16.247 -2.242 -11.515 1.00 32.45 H new ATOM 0 HZ2 LYS A 41 -14.968 -1.562 -10.628 1.00 32.45 H new ATOM 0 HZ3 LYS A 41 -14.903 -1.592 -12.325 1.00 32.45 H new ATOM 635 N ASP A 42 -9.921 -6.168 -13.872 1.00 32.45 N ATOM 636 CA ASP A 42 -10.298 -6.461 -15.262 1.00 53.32 C ATOM 637 C ASP A 42 -10.237 -7.965 -15.571 1.00 1.14 C ATOM 638 O ASP A 42 -11.062 -8.490 -16.322 1.00 52.44 O ATOM 639 CB ASP A 42 -9.379 -5.662 -16.198 1.00 23.23 C ATOM 640 CG ASP A 42 -9.701 -5.826 -17.669 1.00 72.32 C ATOM 641 OD1 ASP A 42 -10.534 -5.064 -18.188 1.00 12.33 O ATOM 642 OD2 ASP A 42 -9.107 -6.708 -18.320 1.00 70.14 O ATOM 0 H ASP A 42 -9.072 -5.609 -13.792 1.00 32.45 H new ATOM 0 HA ASP A 42 -11.334 -6.161 -15.419 1.00 53.32 H new ATOM 0 HB2 ASP A 42 -9.444 -4.605 -15.938 1.00 23.23 H new ATOM 0 HB3 ASP A 42 -8.347 -5.970 -16.026 1.00 23.23 H new ATOM 647 N GLY A 43 -9.281 -8.649 -14.953 1.00 72.41 N ATOM 648 CA GLY A 43 -9.159 -10.080 -15.124 1.00 2.14 C ATOM 649 C GLY A 43 -7.796 -10.483 -15.616 1.00 62.20 C ATOM 650 O GLY A 43 -7.641 -11.524 -16.253 1.00 63.11 O ATOM 0 H GLY A 43 -8.586 -8.233 -14.334 1.00 72.41 H new ATOM 0 HA2 GLY A 43 -9.361 -10.575 -14.174 1.00 2.14 H new ATOM 0 HA3 GLY A 43 -9.914 -10.425 -15.830 1.00 2.14 H new ATOM 654 N GLY A 44 -6.805 -9.648 -15.325 1.00 54.33 N ATOM 655 CA GLY A 44 -5.436 -9.975 -15.647 1.00 34.00 C ATOM 656 C GLY A 44 -4.745 -10.622 -14.473 1.00 2.05 C ATOM 657 O GLY A 44 -5.382 -11.321 -13.675 1.00 34.22 O ATOM 0 H GLY A 44 -6.931 -8.745 -14.868 1.00 54.33 H new ATOM 0 HA2 GLY A 44 -5.411 -10.648 -16.504 1.00 34.00 H new ATOM 0 HA3 GLY A 44 -4.900 -9.071 -15.936 1.00 34.00 H new ATOM 661 N ASP A 45 -3.456 -10.393 -14.350 1.00 12.32 N ATOM 662 CA ASP A 45 -2.710 -10.917 -13.223 1.00 41.45 C ATOM 663 C ASP A 45 -2.453 -9.799 -12.217 1.00 1.21 C ATOM 664 O ASP A 45 -2.990 -8.701 -12.362 1.00 11.50 O ATOM 665 CB ASP A 45 -1.402 -11.550 -13.701 1.00 3.14 C ATOM 666 CG ASP A 45 -1.164 -12.906 -13.066 1.00 54.34 C ATOM 667 OD1 ASP A 45 -0.703 -12.955 -11.910 1.00 62.21 O ATOM 668 OD2 ASP A 45 -1.456 -13.926 -13.717 1.00 12.33 O ATOM 0 H ASP A 45 -2.903 -9.850 -15.013 1.00 12.32 H new ATOM 0 HA ASP A 45 -3.292 -11.696 -12.730 1.00 41.45 H new ATOM 0 HB2 ASP A 45 -1.425 -11.656 -14.786 1.00 3.14 H new ATOM 0 HB3 ASP A 45 -0.570 -10.887 -13.464 1.00 3.14 H new ATOM 673 N ASP A 46 -1.641 -10.068 -11.202 1.00 11.22 N ATOM 674 CA ASP A 46 -1.341 -9.070 -10.169 1.00 24.11 C ATOM 675 C ASP A 46 -0.364 -8.028 -10.695 1.00 2.15 C ATOM 676 O ASP A 46 0.206 -8.194 -11.769 1.00 21.33 O ATOM 677 CB ASP A 46 -0.766 -9.740 -8.918 1.00 73.10 C ATOM 678 CG ASP A 46 -1.832 -10.276 -7.983 1.00 4.43 C ATOM 679 OD1 ASP A 46 -2.616 -11.151 -8.409 1.00 64.52 O ATOM 680 OD2 ASP A 46 -1.859 -9.853 -6.810 1.00 52.23 O ATOM 0 H ASP A 46 -1.176 -10.966 -11.067 1.00 11.22 H new ATOM 0 HA ASP A 46 -2.274 -8.573 -9.902 1.00 24.11 H new ATOM 0 HB2 ASP A 46 -0.112 -10.558 -9.220 1.00 73.10 H new ATOM 0 HB3 ASP A 46 -0.149 -9.021 -8.380 1.00 73.10 H new ATOM 685 N LYS A 47 -0.180 -6.956 -9.925 1.00 63.24 N ATOM 686 CA LYS A 47 0.758 -5.880 -10.267 1.00 10.43 C ATOM 687 C LYS A 47 2.188 -6.414 -10.345 1.00 4.24 C ATOM 688 O LYS A 47 2.937 -6.034 -11.236 1.00 34.14 O ATOM 689 CB LYS A 47 0.659 -4.759 -9.224 1.00 64.22 C ATOM 690 CG LYS A 47 1.616 -3.589 -9.424 1.00 13.21 C ATOM 691 CD LYS A 47 1.256 -2.739 -10.637 1.00 1.24 C ATOM 692 CE LYS A 47 -0.027 -1.938 -10.424 1.00 72.10 C ATOM 693 NZ LYS A 47 0.094 -0.932 -9.330 1.00 62.01 N ATOM 0 H LYS A 47 -0.675 -6.806 -9.046 1.00 63.24 H new ATOM 0 HA LYS A 47 0.494 -5.480 -11.246 1.00 10.43 H new ATOM 0 HB2 LYS A 47 -0.361 -4.375 -9.225 1.00 64.22 H new ATOM 0 HB3 LYS A 47 0.838 -5.187 -8.238 1.00 64.22 H new ATOM 0 HG2 LYS A 47 1.610 -2.963 -8.532 1.00 13.21 H new ATOM 0 HG3 LYS A 47 2.631 -3.970 -9.540 1.00 13.21 H new ATOM 0 HD2 LYS A 47 2.076 -2.055 -10.855 1.00 1.24 H new ATOM 0 HD3 LYS A 47 1.139 -3.384 -11.508 1.00 1.24 H new ATOM 0 HE2 LYS A 47 -0.290 -1.429 -11.351 1.00 72.10 H new ATOM 0 HE3 LYS A 47 -0.843 -2.623 -10.193 1.00 72.10 H new ATOM 0 HZ1 LYS A 47 -0.587 -0.162 -9.489 1.00 62.01 H new ATOM 0 HZ2 LYS A 47 -0.105 -1.387 -8.416 1.00 62.01 H new ATOM 0 HZ3 LYS A 47 1.059 -0.544 -9.321 1.00 62.01 H new ATOM 707 N ASP A 48 2.519 -7.304 -9.406 1.00 20.23 N ATOM 708 CA ASP A 48 3.791 -8.036 -9.363 1.00 72.12 C ATOM 709 C ASP A 48 4.102 -8.729 -10.697 1.00 21.22 C ATOM 710 O ASP A 48 5.193 -8.577 -11.243 1.00 3.40 O ATOM 711 CB ASP A 48 3.697 -9.077 -8.237 1.00 64.32 C ATOM 712 CG ASP A 48 4.985 -9.830 -7.966 1.00 60.00 C ATOM 713 OD1 ASP A 48 5.230 -10.849 -8.630 1.00 21.02 O ATOM 714 OD2 ASP A 48 5.712 -9.445 -7.037 1.00 35.11 O ATOM 0 H ASP A 48 1.896 -7.543 -8.635 1.00 20.23 H new ATOM 0 HA ASP A 48 4.602 -7.331 -9.178 1.00 72.12 H new ATOM 0 HB2 ASP A 48 3.385 -8.575 -7.321 1.00 64.32 H new ATOM 0 HB3 ASP A 48 2.917 -9.796 -8.488 1.00 64.32 H new ATOM 719 N THR A 49 3.126 -9.472 -11.204 1.00 14.33 N ATOM 720 CA THR A 49 3.265 -10.189 -12.460 1.00 41.25 C ATOM 721 C THR A 49 3.282 -9.240 -13.671 1.00 51.54 C ATOM 722 O THR A 49 4.206 -9.300 -14.465 1.00 11.03 O ATOM 723 CB THR A 49 2.126 -11.208 -12.628 1.00 73.55 C ATOM 724 OG1 THR A 49 1.953 -11.953 -11.412 1.00 61.44 O ATOM 725 CG2 THR A 49 2.425 -12.169 -13.775 1.00 61.22 C ATOM 0 H THR A 49 2.218 -9.593 -10.755 1.00 14.33 H new ATOM 0 HA THR A 49 4.223 -10.708 -12.423 1.00 41.25 H new ATOM 0 HB THR A 49 1.210 -10.663 -12.857 1.00 73.55 H new ATOM 0 HG1 THR A 49 1.069 -12.376 -11.410 1.00 61.44 H new ATOM 0 HG21 THR A 49 1.606 -12.881 -13.876 1.00 61.22 H new ATOM 0 HG22 THR A 49 2.533 -11.606 -14.702 1.00 61.22 H new ATOM 0 HG23 THR A 49 3.350 -12.707 -13.567 1.00 61.22 H new ATOM 733 N LEU A 50 2.288 -8.341 -13.760 1.00 35.53 N ATOM 734 CA LEU A 50 2.059 -7.505 -14.956 1.00 25.42 C ATOM 735 C LEU A 50 3.192 -6.509 -15.236 1.00 24.03 C ATOM 736 O LEU A 50 3.469 -6.210 -16.399 1.00 14.43 O ATOM 737 CB LEU A 50 0.712 -6.759 -14.876 1.00 4.30 C ATOM 738 CG LEU A 50 -0.549 -7.640 -14.929 1.00 20.54 C ATOM 739 CD1 LEU A 50 -1.798 -6.781 -15.007 1.00 43.20 C ATOM 740 CD2 LEU A 50 -0.501 -8.600 -16.110 1.00 73.14 C ATOM 0 H LEU A 50 1.620 -8.171 -13.008 1.00 35.53 H new ATOM 0 HA LEU A 50 2.035 -8.203 -15.792 1.00 25.42 H new ATOM 0 HB2 LEU A 50 0.691 -6.184 -13.950 1.00 4.30 H new ATOM 0 HB3 LEU A 50 0.666 -6.043 -15.697 1.00 4.30 H new ATOM 0 HG LEU A 50 -0.581 -8.228 -14.012 1.00 20.54 H new ATOM 0 HD11 LEU A 50 -2.679 -7.422 -15.044 1.00 43.20 H new ATOM 0 HD12 LEU A 50 -1.853 -6.138 -14.128 1.00 43.20 H new ATOM 0 HD13 LEU A 50 -1.760 -6.165 -15.905 1.00 43.20 H new ATOM 0 HD21 LEU A 50 -1.405 -9.209 -16.121 1.00 73.14 H new ATOM 0 HD22 LEU A 50 -0.435 -8.032 -17.038 1.00 73.14 H new ATOM 0 HD23 LEU A 50 0.371 -9.247 -16.018 1.00 73.14 H new ATOM 752 N SER A 51 3.831 -5.999 -14.180 1.00 13.31 N ATOM 753 CA SER A 51 4.945 -5.058 -14.329 1.00 30.30 C ATOM 754 C SER A 51 6.189 -5.735 -14.926 1.00 2.41 C ATOM 755 O SER A 51 6.871 -5.153 -15.767 1.00 3.04 O ATOM 756 CB SER A 51 5.278 -4.410 -12.982 1.00 31.11 C ATOM 757 OG SER A 51 5.571 -5.387 -11.992 1.00 63.32 O ATOM 0 H SER A 51 3.596 -6.222 -13.213 1.00 13.31 H new ATOM 0 HA SER A 51 4.631 -4.282 -15.027 1.00 30.30 H new ATOM 0 HB2 SER A 51 6.131 -3.742 -13.099 1.00 31.11 H new ATOM 0 HB3 SER A 51 4.438 -3.798 -12.654 1.00 31.11 H new ATOM 0 HG SER A 51 4.735 -5.716 -11.600 1.00 63.32 H new ATOM 763 N ARG A 52 6.449 -6.979 -14.505 1.00 11.45 N ATOM 764 CA ARG A 52 7.596 -7.754 -14.990 1.00 41.55 C ATOM 765 C ARG A 52 7.307 -8.418 -16.341 1.00 34.34 C ATOM 766 O ARG A 52 8.225 -8.725 -17.107 1.00 23.32 O ATOM 767 CB ARG A 52 7.968 -8.832 -13.969 1.00 24.20 C ATOM 768 CG ARG A 52 8.513 -8.288 -12.658 1.00 14.30 C ATOM 769 CD ARG A 52 8.968 -9.407 -11.730 1.00 74.14 C ATOM 770 NE ARG A 52 7.854 -10.206 -11.203 1.00 3.35 N ATOM 771 CZ ARG A 52 7.723 -11.532 -11.360 1.00 44.53 C ATOM 772 NH1 ARG A 52 8.590 -12.218 -12.108 1.00 32.32 N ATOM 773 NH2 ARG A 52 6.724 -12.171 -10.764 1.00 0.43 N ATOM 0 H ARG A 52 5.874 -7.473 -13.823 1.00 11.45 H new ATOM 0 HA ARG A 52 8.426 -7.059 -15.123 1.00 41.55 H new ATOM 0 HB2 ARG A 52 7.086 -9.438 -13.759 1.00 24.20 H new ATOM 0 HB3 ARG A 52 8.712 -9.494 -14.412 1.00 24.20 H new ATOM 0 HG2 ARG A 52 9.350 -7.620 -12.861 1.00 14.30 H new ATOM 0 HG3 ARG A 52 7.745 -7.694 -12.163 1.00 14.30 H new ATOM 0 HD2 ARG A 52 9.654 -10.061 -12.268 1.00 74.14 H new ATOM 0 HD3 ARG A 52 9.525 -8.977 -10.897 1.00 74.14 H new ATOM 0 HE ARG A 52 7.127 -9.717 -10.680 1.00 3.35 H new ATOM 0 HH11 ARG A 52 9.362 -11.734 -12.567 1.00 32.32 H new ATOM 0 HH12 ARG A 52 8.481 -13.226 -12.220 1.00 32.32 H new ATOM 0 HH21 ARG A 52 6.059 -11.654 -10.189 1.00 0.43 H new ATOM 0 HH22 ARG A 52 6.621 -13.179 -10.881 1.00 0.43 H new ATOM 787 N ASN A 53 6.026 -8.651 -16.611 1.00 55.23 N ATOM 788 CA ASN A 53 5.583 -9.320 -17.831 1.00 5.21 C ATOM 789 C ASN A 53 5.522 -8.353 -19.007 1.00 34.10 C ATOM 790 O ASN A 53 5.776 -8.734 -20.150 1.00 33.51 O ATOM 791 CB ASN A 53 4.192 -9.925 -17.616 1.00 23.13 C ATOM 792 CG ASN A 53 4.071 -11.327 -18.168 1.00 12.11 C ATOM 793 OD1 ASN A 53 3.748 -11.520 -19.335 1.00 4.14 O ATOM 794 ND2 ASN A 53 4.316 -12.313 -17.321 1.00 42.30 N ATOM 0 H ASN A 53 5.264 -8.381 -15.989 1.00 55.23 H new ATOM 0 HA ASN A 53 6.306 -10.103 -18.060 1.00 5.21 H new ATOM 0 HB2 ASN A 53 3.968 -9.939 -16.549 1.00 23.13 H new ATOM 0 HB3 ASN A 53 3.446 -9.287 -18.090 1.00 23.13 H new ATOM 0 HD21 ASN A 53 4.239 -13.282 -17.630 1.00 42.30 H new ATOM 0 HD22 ASN A 53 4.582 -12.104 -16.359 1.00 42.30 H new ATOM 801 N GLY A 54 5.201 -7.099 -18.706 1.00 61.42 N ATOM 802 CA GLY A 54 4.964 -6.112 -19.741 1.00 21.15 C ATOM 803 C GLY A 54 3.553 -6.213 -20.286 1.00 41.31 C ATOM 804 O GLY A 54 3.354 -6.306 -21.499 1.00 70.03 O ATOM 0 H GLY A 54 5.100 -6.747 -17.754 1.00 61.42 H new ATOM 0 HA2 GLY A 54 5.130 -5.113 -19.338 1.00 21.15 H new ATOM 0 HA3 GLY A 54 5.680 -6.252 -20.551 1.00 21.15 H new ATOM 808 N GLY A 55 2.581 -6.223 -19.376 1.00 22.23 N ATOM 809 CA GLY A 55 1.186 -6.314 -19.759 1.00 44.43 C ATOM 810 C GLY A 55 0.290 -5.527 -18.829 1.00 12.31 C ATOM 811 O GLY A 55 -0.677 -6.068 -18.294 1.00 3.45 O ATOM 0 H GLY A 55 2.740 -6.169 -18.370 1.00 22.23 H new ATOM 0 HA2 GLY A 55 1.065 -5.945 -20.777 1.00 44.43 H new ATOM 0 HA3 GLY A 55 0.878 -7.360 -19.760 1.00 44.43 H new ATOM 815 N TYR A 56 0.639 -4.253 -18.622 1.00 73.24 N ATOM 816 CA TYR A 56 -0.097 -3.352 -17.722 1.00 34.42 C ATOM 817 C TYR A 56 -1.555 -3.116 -18.179 1.00 12.43 C ATOM 818 O TYR A 56 -1.915 -3.343 -19.339 1.00 42.31 O ATOM 819 CB TYR A 56 0.652 -2.016 -17.614 1.00 25.12 C ATOM 820 CG TYR A 56 0.416 -1.277 -16.312 1.00 5.31 C ATOM 821 CD1 TYR A 56 0.889 -1.798 -15.119 1.00 62.42 C ATOM 822 CD2 TYR A 56 -0.275 -0.071 -16.277 1.00 13.14 C ATOM 823 CE1 TYR A 56 0.688 -1.139 -13.927 1.00 53.31 C ATOM 824 CE2 TYR A 56 -0.477 0.599 -15.084 1.00 22.13 C ATOM 825 CZ TYR A 56 0.007 0.059 -13.912 1.00 3.32 C ATOM 826 OH TYR A 56 -0.164 0.726 -12.721 1.00 41.34 O ATOM 0 H TYR A 56 1.441 -3.814 -19.074 1.00 73.24 H new ATOM 0 HA TYR A 56 -0.150 -3.831 -16.744 1.00 34.42 H new ATOM 0 HB2 TYR A 56 1.720 -2.201 -17.726 1.00 25.12 H new ATOM 0 HB3 TYR A 56 0.351 -1.375 -18.443 1.00 25.12 H new ATOM 0 HD1 TYR A 56 1.424 -2.736 -15.124 1.00 62.42 H new ATOM 0 HD2 TYR A 56 -0.660 0.349 -17.195 1.00 13.14 H new ATOM 0 HE1 TYR A 56 1.063 -1.560 -13.006 1.00 53.31 H new ATOM 0 HE2 TYR A 56 -1.010 1.538 -15.071 1.00 22.13 H new ATOM 0 HH TYR A 56 -0.977 0.403 -12.279 1.00 41.34 H new ATOM 836 N LYS A 57 -2.368 -2.603 -17.259 1.00 44.44 N ATOM 837 CA LYS A 57 -3.801 -2.536 -17.435 1.00 64.54 C ATOM 838 C LYS A 57 -4.360 -1.311 -16.717 1.00 32.24 C ATOM 839 O LYS A 57 -3.928 -0.988 -15.618 1.00 0.20 O ATOM 840 CB LYS A 57 -4.445 -3.806 -16.860 1.00 64.30 C ATOM 841 CG LYS A 57 -5.953 -3.903 -17.072 1.00 63.32 C ATOM 842 CD LYS A 57 -6.313 -4.281 -18.500 1.00 13.52 C ATOM 843 CE LYS A 57 -5.899 -5.707 -18.820 1.00 14.23 C ATOM 844 NZ LYS A 57 -6.308 -6.112 -20.184 1.00 5.41 N ATOM 0 H LYS A 57 -2.042 -2.223 -16.370 1.00 44.44 H new ATOM 0 HA LYS A 57 -4.027 -2.458 -18.498 1.00 64.54 H new ATOM 0 HB2 LYS A 57 -3.970 -4.676 -17.314 1.00 64.30 H new ATOM 0 HB3 LYS A 57 -4.238 -3.851 -15.791 1.00 64.30 H new ATOM 0 HG2 LYS A 57 -6.367 -4.643 -16.387 1.00 63.32 H new ATOM 0 HG3 LYS A 57 -6.414 -2.947 -16.824 1.00 63.32 H new ATOM 0 HD2 LYS A 57 -7.388 -4.172 -18.647 1.00 13.52 H new ATOM 0 HD3 LYS A 57 -5.825 -3.595 -19.193 1.00 13.52 H new ATOM 0 HE2 LYS A 57 -4.817 -5.800 -18.723 1.00 14.23 H new ATOM 0 HE3 LYS A 57 -6.344 -6.385 -18.092 1.00 14.23 H new ATOM 0 HZ1 LYS A 57 -6.006 -7.091 -20.361 1.00 5.41 H new ATOM 0 HZ2 LYS A 57 -7.342 -6.048 -20.270 1.00 5.41 H new ATOM 0 HZ3 LYS A 57 -5.863 -5.481 -20.881 1.00 5.41 H new ATOM 858 N MET A 58 -5.269 -0.614 -17.375 1.00 14.51 N ATOM 859 CA MET A 58 -6.158 0.345 -16.720 1.00 41.01 C ATOM 860 C MET A 58 -7.545 0.148 -17.288 1.00 41.23 C ATOM 861 O MET A 58 -7.687 0.021 -18.508 1.00 32.13 O ATOM 862 CB MET A 58 -5.746 1.809 -16.950 1.00 62.12 C ATOM 863 CG MET A 58 -4.495 2.260 -16.208 1.00 33.10 C ATOM 864 SD MET A 58 -4.008 3.946 -16.638 1.00 33.21 S ATOM 865 CE MET A 58 -3.610 3.747 -18.374 1.00 1.44 C ATOM 0 H MET A 58 -5.416 -0.693 -18.381 1.00 14.51 H new ATOM 0 HA MET A 58 -6.112 0.162 -15.646 1.00 41.01 H new ATOM 0 HB2 MET A 58 -5.589 1.961 -18.018 1.00 62.12 H new ATOM 0 HB3 MET A 58 -6.575 2.453 -16.655 1.00 62.12 H new ATOM 0 HG2 MET A 58 -4.671 2.198 -15.134 1.00 33.10 H new ATOM 0 HG3 MET A 58 -3.675 1.579 -16.436 1.00 33.10 H new ATOM 0 HE1 MET A 58 -2.987 4.579 -18.702 1.00 1.44 H new ATOM 0 HE2 MET A 58 -3.071 2.811 -18.519 1.00 1.44 H new ATOM 0 HE3 MET A 58 -4.530 3.730 -18.959 1.00 1.44 H new ATOM 875 N VAL A 59 -8.565 0.119 -16.433 1.00 61.35 N ATOM 876 CA VAL A 59 -9.938 0.010 -16.927 1.00 30.40 C ATOM 877 C VAL A 59 -10.462 1.384 -17.362 1.00 75.51 C ATOM 878 O VAL A 59 -11.448 1.487 -18.095 1.00 40.32 O ATOM 879 CB VAL A 59 -10.920 -0.667 -15.921 1.00 44.52 C ATOM 880 CG1 VAL A 59 -10.373 -2.000 -15.435 1.00 63.03 C ATOM 881 CG2 VAL A 59 -11.260 0.230 -14.741 1.00 62.12 C ATOM 0 H VAL A 59 -8.473 0.168 -15.418 1.00 61.35 H new ATOM 0 HA VAL A 59 -9.898 -0.653 -17.791 1.00 30.40 H new ATOM 0 HB VAL A 59 -11.847 -0.845 -16.467 1.00 44.52 H new ATOM 0 HG11 VAL A 59 -11.078 -2.449 -14.735 1.00 63.03 H new ATOM 0 HG12 VAL A 59 -10.231 -2.667 -16.285 1.00 63.03 H new ATOM 0 HG13 VAL A 59 -9.417 -1.841 -14.935 1.00 63.03 H new ATOM 0 HG21 VAL A 59 -11.946 -0.291 -14.074 1.00 62.12 H new ATOM 0 HG22 VAL A 59 -10.348 0.481 -14.200 1.00 62.12 H new ATOM 0 HG23 VAL A 59 -11.730 1.144 -15.103 1.00 62.12 H new ATOM 891 N GLU A 60 -9.772 2.432 -16.906 1.00 35.34 N ATOM 892 CA GLU A 60 -10.027 3.787 -17.351 1.00 64.25 C ATOM 893 C GLU A 60 -8.717 4.379 -17.807 1.00 42.33 C ATOM 894 O GLU A 60 -7.774 4.508 -17.019 1.00 22.10 O ATOM 895 CB GLU A 60 -10.672 4.665 -16.269 1.00 52.10 C ATOM 896 CG GLU A 60 -12.049 4.182 -15.837 1.00 22.33 C ATOM 897 CD GLU A 60 -12.971 5.304 -15.413 1.00 12.45 C ATOM 898 OE1 GLU A 60 -12.767 5.876 -14.324 1.00 50.14 O ATOM 899 OE2 GLU A 60 -13.918 5.604 -16.167 1.00 32.25 O ATOM 0 H GLU A 60 -9.023 2.356 -16.218 1.00 35.34 H new ATOM 0 HA GLU A 60 -10.747 3.753 -18.169 1.00 64.25 H new ATOM 0 HB2 GLU A 60 -10.017 4.695 -15.399 1.00 52.10 H new ATOM 0 HB3 GLU A 60 -10.754 5.686 -16.642 1.00 52.10 H new ATOM 0 HG2 GLU A 60 -12.509 3.634 -16.660 1.00 22.33 H new ATOM 0 HG3 GLU A 60 -11.937 3.481 -15.010 1.00 22.33 H new ATOM 906 N TYR A 61 -8.658 4.724 -19.083 1.00 22.15 N ATOM 907 CA TYR A 61 -7.421 5.169 -19.713 1.00 54.15 C ATOM 908 C TYR A 61 -7.221 6.681 -19.554 1.00 52.54 C ATOM 909 O TYR A 61 -7.163 7.428 -20.534 1.00 33.14 O ATOM 910 CB TYR A 61 -7.411 4.782 -21.195 1.00 4.15 C ATOM 911 CG TYR A 61 -7.348 3.294 -21.469 1.00 2.51 C ATOM 912 CD1 TYR A 61 -6.125 2.653 -21.606 1.00 30.03 C ATOM 913 CD2 TYR A 61 -8.505 2.537 -21.612 1.00 35.30 C ATOM 914 CE1 TYR A 61 -6.053 1.304 -21.882 1.00 1.45 C ATOM 915 CE2 TYR A 61 -8.442 1.183 -21.882 1.00 43.35 C ATOM 916 CZ TYR A 61 -7.213 0.571 -22.016 1.00 11.31 C ATOM 917 OH TYR A 61 -7.143 -0.774 -22.297 1.00 52.13 O ATOM 0 H TYR A 61 -9.462 4.704 -19.711 1.00 22.15 H new ATOM 0 HA TYR A 61 -6.592 4.670 -19.210 1.00 54.15 H new ATOM 0 HB2 TYR A 61 -8.308 5.185 -21.666 1.00 4.15 H new ATOM 0 HB3 TYR A 61 -6.557 5.261 -21.674 1.00 4.15 H new ATOM 0 HD1 TYR A 61 -5.213 3.221 -21.494 1.00 30.03 H new ATOM 0 HD2 TYR A 61 -9.468 3.014 -21.511 1.00 35.30 H new ATOM 0 HE1 TYR A 61 -5.092 0.824 -21.993 1.00 1.45 H new ATOM 0 HE2 TYR A 61 -9.350 0.607 -21.987 1.00 43.35 H new ATOM 0 HH TYR A 61 -8.049 -1.143 -22.358 1.00 52.13 H new ATOM 927 N GLY A 62 -7.139 7.118 -18.298 1.00 42.24 N ATOM 928 CA GLY A 62 -6.815 8.496 -17.987 1.00 11.31 C ATOM 929 C GLY A 62 -5.318 8.699 -17.886 1.00 23.03 C ATOM 930 O GLY A 62 -4.827 9.819 -18.012 1.00 52.55 O ATOM 0 H GLY A 62 -7.295 6.529 -17.480 1.00 42.24 H new ATOM 0 HA2 GLY A 62 -7.222 9.151 -18.758 1.00 11.31 H new ATOM 0 HA3 GLY A 62 -7.287 8.780 -17.046 1.00 11.31 H new ATOM 934 N GLY A 63 -4.596 7.592 -17.659 1.00 44.11 N ATOM 935 CA GLY A 63 -3.143 7.633 -17.558 1.00 41.33 C ATOM 936 C GLY A 63 -2.665 8.211 -16.243 1.00 25.41 C ATOM 937 O GLY A 63 -1.566 8.762 -16.159 1.00 63.45 O ATOM 0 H GLY A 63 -5.000 6.663 -17.543 1.00 44.11 H new ATOM 0 HA2 GLY A 63 -2.746 6.624 -17.672 1.00 41.33 H new ATOM 0 HA3 GLY A 63 -2.742 8.228 -18.379 1.00 41.33 H new ATOM 941 N ALA A 64 -3.502 8.086 -15.224 1.00 32.32 N ATOM 942 CA ALA A 64 -3.222 8.638 -13.920 1.00 22.40 C ATOM 943 C ALA A 64 -3.113 7.528 -12.904 1.00 2.20 C ATOM 944 O ALA A 64 -4.068 6.776 -12.684 1.00 54.42 O ATOM 945 CB ALA A 64 -4.306 9.622 -13.512 1.00 35.43 C ATOM 0 H ALA A 64 -4.395 7.597 -15.285 1.00 32.32 H new ATOM 0 HA ALA A 64 -2.273 9.173 -13.964 1.00 22.40 H new ATOM 0 HB1 ALA A 64 -4.077 10.027 -12.526 1.00 35.43 H new ATOM 0 HB2 ALA A 64 -4.351 10.435 -14.237 1.00 35.43 H new ATOM 0 HB3 ALA A 64 -5.268 9.111 -13.480 1.00 35.43 H new ATOM 951 N GLN A 65 -1.943 7.415 -12.304 1.00 70.20 N ATOM 952 CA GLN A 65 -1.706 6.392 -11.308 1.00 64.04 C ATOM 953 C GLN A 65 -2.005 6.923 -9.913 1.00 63.43 C ATOM 954 O GLN A 65 -1.138 7.461 -9.219 1.00 43.31 O ATOM 955 CB GLN A 65 -0.282 5.825 -11.426 1.00 34.24 C ATOM 956 CG GLN A 65 -0.180 4.520 -12.228 1.00 74.14 C ATOM 957 CD GLN A 65 -0.785 4.581 -13.625 1.00 52.23 C ATOM 958 OE1 GLN A 65 -0.118 4.956 -14.581 1.00 12.43 O ATOM 959 NE2 GLN A 65 -2.054 4.214 -13.746 1.00 61.04 N ATOM 0 H GLN A 65 -1.143 8.020 -12.490 1.00 70.20 H new ATOM 0 HA GLN A 65 -2.389 5.563 -11.491 1.00 64.04 H new ATOM 0 HB2 GLN A 65 0.356 6.575 -11.894 1.00 34.24 H new ATOM 0 HB3 GLN A 65 0.111 5.652 -10.424 1.00 34.24 H new ATOM 0 HG2 GLN A 65 0.871 4.244 -12.314 1.00 74.14 H new ATOM 0 HG3 GLN A 65 -0.674 3.726 -11.668 1.00 74.14 H new ATOM 0 HE21 GLN A 65 -2.577 3.907 -12.926 1.00 61.04 H new ATOM 0 HE22 GLN A 65 -2.507 4.238 -14.660 1.00 61.04 H new ATOM 968 N ALA A 66 -3.281 6.788 -9.541 1.00 24.23 N ATOM 969 CA ALA A 66 -3.761 7.082 -8.188 1.00 61.40 C ATOM 970 C ALA A 66 -3.730 5.809 -7.327 1.00 11.15 C ATOM 971 O ALA A 66 -4.447 5.669 -6.331 1.00 60.15 O ATOM 972 CB ALA A 66 -5.165 7.672 -8.254 1.00 20.02 C ATOM 0 H ALA A 66 -4.015 6.470 -10.174 1.00 24.23 H new ATOM 0 HA ALA A 66 -3.104 7.817 -7.722 1.00 61.40 H new ATOM 0 HB1 ALA A 66 -5.516 7.888 -7.245 1.00 20.02 H new ATOM 0 HB2 ALA A 66 -5.146 8.593 -8.837 1.00 20.02 H new ATOM 0 HB3 ALA A 66 -5.838 6.957 -8.727 1.00 20.02 H new ATOM 978 N GLU A 67 -2.852 4.914 -7.732 1.00 54.02 N ATOM 979 CA GLU A 67 -2.602 3.646 -7.082 1.00 2.23 C ATOM 980 C GLU A 67 -1.174 3.648 -6.537 1.00 45.22 C ATOM 981 O GLU A 67 -0.467 4.665 -6.640 1.00 31.23 O ATOM 982 CB GLU A 67 -2.795 2.531 -8.117 1.00 33.31 C ATOM 983 CG GLU A 67 -1.976 2.744 -9.382 1.00 3.33 C ATOM 984 CD GLU A 67 -2.394 1.845 -10.510 1.00 23.41 C ATOM 985 OE1 GLU A 67 -2.002 0.671 -10.492 1.00 71.22 O ATOM 986 OE2 GLU A 67 -3.098 2.316 -11.424 1.00 65.41 O ATOM 0 H GLU A 67 -2.270 5.057 -8.557 1.00 54.02 H new ATOM 0 HA GLU A 67 -3.289 3.483 -6.252 1.00 2.23 H new ATOM 0 HB2 GLU A 67 -2.520 1.576 -7.669 1.00 33.31 H new ATOM 0 HB3 GLU A 67 -3.851 2.467 -8.381 1.00 33.31 H new ATOM 0 HG2 GLU A 67 -2.070 3.783 -9.699 1.00 3.33 H new ATOM 0 HG3 GLU A 67 -0.923 2.573 -9.159 1.00 3.33 H new ATOM 993 N TRP A 68 -0.733 2.531 -5.965 1.00 12.40 N ATOM 994 CA TRP A 68 0.618 2.464 -5.421 1.00 72.14 C ATOM 995 C TRP A 68 1.616 2.053 -6.483 1.00 34.34 C ATOM 996 O TRP A 68 1.816 0.872 -6.760 1.00 41.55 O ATOM 997 CB TRP A 68 0.681 1.574 -4.169 1.00 55.15 C ATOM 998 CG TRP A 68 -0.300 2.019 -3.124 1.00 0.12 C ATOM 999 CD1 TRP A 68 -1.183 1.239 -2.448 1.00 60.43 C ATOM 1000 CD2 TRP A 68 -0.528 3.368 -2.678 1.00 72.31 C ATOM 1001 NE1 TRP A 68 -1.975 2.017 -1.637 1.00 32.13 N ATOM 1002 CE2 TRP A 68 -1.583 3.328 -1.763 1.00 2.42 C ATOM 1003 CE3 TRP A 68 0.059 4.608 -2.975 1.00 65.13 C ATOM 1004 CZ2 TRP A 68 -2.068 4.478 -1.151 1.00 43.31 C ATOM 1005 CZ3 TRP A 68 -0.422 5.734 -2.361 1.00 50.54 C ATOM 1006 CH2 TRP A 68 -1.476 5.663 -1.463 1.00 24.32 C ATOM 0 H TRP A 68 -1.280 1.676 -5.867 1.00 12.40 H new ATOM 0 HA TRP A 68 0.900 3.466 -5.097 1.00 72.14 H new ATOM 0 HB2 TRP A 68 0.474 0.540 -4.446 1.00 55.15 H new ATOM 0 HB3 TRP A 68 1.689 1.598 -3.756 1.00 55.15 H new ATOM 0 HD1 TRP A 68 -1.253 0.165 -2.535 1.00 60.43 H new ATOM 0 HE1 TRP A 68 -2.729 1.677 -1.040 1.00 32.13 H new ATOM 0 HE3 TRP A 68 0.877 4.673 -3.677 1.00 65.13 H new ATOM 0 HZ2 TRP A 68 -2.889 4.433 -0.450 1.00 43.31 H new ATOM 0 HZ3 TRP A 68 0.027 6.692 -2.580 1.00 50.54 H new ATOM 0 HH2 TRP A 68 -1.836 6.570 -1.000 1.00 24.32 H new ATOM 1017 N HIS A 69 2.184 3.081 -7.110 1.00 2.12 N ATOM 1018 CA HIS A 69 3.167 2.931 -8.170 1.00 74.00 C ATOM 1019 C HIS A 69 4.117 4.131 -8.151 1.00 42.13 C ATOM 1020 O HIS A 69 5.328 3.963 -8.087 1.00 21.11 O ATOM 1021 CB HIS A 69 2.460 2.810 -9.545 1.00 12.23 C ATOM 1022 CG HIS A 69 3.378 2.524 -10.704 1.00 31.52 C ATOM 1023 ND1 HIS A 69 3.667 3.449 -11.682 1.00 33.51 N ATOM 1024 CD2 HIS A 69 4.058 1.405 -11.041 1.00 63.34 C ATOM 1025 CE1 HIS A 69 4.481 2.915 -12.569 1.00 4.21 C ATOM 1026 NE2 HIS A 69 4.735 1.676 -12.205 1.00 31.23 N ATOM 0 H HIS A 69 1.968 4.053 -6.890 1.00 2.12 H new ATOM 0 HA HIS A 69 3.743 2.020 -8.007 1.00 74.00 H new ATOM 0 HB2 HIS A 69 1.714 2.017 -9.486 1.00 12.23 H new ATOM 0 HB3 HIS A 69 1.924 3.738 -9.745 1.00 12.23 H new ATOM 0 HD1 HIS A 69 3.306 4.402 -11.715 1.00 33.51 H new ATOM 0 HD2 HIS A 69 4.067 0.472 -10.497 1.00 63.34 H new ATOM 0 HE1 HIS A 69 4.873 3.409 -13.445 1.00 4.21 H new ATOM 1035 N GLU A 70 3.540 5.336 -8.180 1.00 10.52 N ATOM 1036 CA GLU A 70 4.310 6.568 -8.359 1.00 32.21 C ATOM 1037 C GLU A 70 4.907 7.087 -7.048 1.00 3.31 C ATOM 1038 O GLU A 70 6.091 6.884 -6.771 1.00 71.31 O ATOM 1039 CB GLU A 70 3.426 7.643 -9.009 1.00 3.31 C ATOM 1040 CG GLU A 70 3.847 8.025 -10.418 1.00 42.11 C ATOM 1041 CD GLU A 70 4.049 6.824 -11.328 1.00 5.54 C ATOM 1042 OE1 GLU A 70 3.058 6.312 -11.881 1.00 4.34 O ATOM 1043 OE2 GLU A 70 5.205 6.376 -11.474 1.00 24.15 O ATOM 0 H GLU A 70 2.536 5.483 -8.081 1.00 10.52 H new ATOM 0 HA GLU A 70 5.150 6.335 -9.014 1.00 32.21 H new ATOM 0 HB2 GLU A 70 2.397 7.285 -9.033 1.00 3.31 H new ATOM 0 HB3 GLU A 70 3.439 8.535 -8.383 1.00 3.31 H new ATOM 0 HG2 GLU A 70 3.090 8.679 -10.852 1.00 42.11 H new ATOM 0 HG3 GLU A 70 4.773 8.597 -10.371 1.00 42.11 H new ATOM 1050 N GLN A 71 4.062 7.709 -6.227 1.00 61.13 N ATOM 1051 CA GLN A 71 4.514 8.424 -5.032 1.00 65.21 C ATOM 1052 C GLN A 71 4.634 7.501 -3.818 1.00 22.13 C ATOM 1053 O GLN A 71 5.057 7.929 -2.746 1.00 42.14 O ATOM 1054 CB GLN A 71 3.589 9.614 -4.748 1.00 60.31 C ATOM 1055 CG GLN A 71 3.424 10.572 -5.935 1.00 0.34 C ATOM 1056 CD GLN A 71 4.706 11.302 -6.369 1.00 44.40 C ATOM 1057 OE1 GLN A 71 5.830 10.816 -6.221 1.00 42.10 O ATOM 1058 NE2 GLN A 71 4.535 12.482 -6.928 1.00 63.44 N ATOM 0 H GLN A 71 3.052 7.732 -6.369 1.00 61.13 H new ATOM 0 HA GLN A 71 5.517 8.804 -5.228 1.00 65.21 H new ATOM 0 HB2 GLN A 71 2.608 9.238 -4.459 1.00 60.31 H new ATOM 0 HB3 GLN A 71 3.981 10.171 -3.897 1.00 60.31 H new ATOM 0 HG2 GLN A 71 3.040 10.009 -6.785 1.00 0.34 H new ATOM 0 HG3 GLN A 71 2.670 11.316 -5.679 1.00 0.34 H new ATOM 0 HE21 GLN A 71 3.595 12.862 -7.039 1.00 63.44 H new ATOM 0 HE22 GLN A 71 5.342 13.016 -7.250 1.00 63.44 H new ATOM 1067 N ALA A 72 4.256 6.235 -4.011 1.00 42.13 N ATOM 1068 CA ALA A 72 4.345 5.196 -2.983 1.00 20.21 C ATOM 1069 C ALA A 72 5.792 4.909 -2.538 1.00 52.12 C ATOM 1070 O ALA A 72 6.006 4.431 -1.430 1.00 41.32 O ATOM 1071 CB ALA A 72 3.692 3.927 -3.490 1.00 61.23 C ATOM 0 H ALA A 72 3.875 5.899 -4.896 1.00 42.13 H new ATOM 0 HA ALA A 72 3.819 5.566 -2.103 1.00 20.21 H new ATOM 0 HB1 ALA A 72 3.758 3.153 -2.725 1.00 61.23 H new ATOM 0 HB2 ALA A 72 2.644 4.123 -3.718 1.00 61.23 H new ATOM 0 HB3 ALA A 72 4.203 3.590 -4.392 1.00 61.23 H new ATOM 1077 N GLU A 73 6.772 5.191 -3.416 1.00 14.22 N ATOM 1078 CA GLU A 73 8.204 5.057 -3.095 1.00 43.03 C ATOM 1079 C GLU A 73 8.647 6.076 -2.025 1.00 42.14 C ATOM 1080 O GLU A 73 9.529 5.802 -1.213 1.00 30.11 O ATOM 1081 CB GLU A 73 9.030 5.256 -4.368 1.00 51.41 C ATOM 1082 CG GLU A 73 10.523 5.015 -4.193 1.00 4.51 C ATOM 1083 CD GLU A 73 11.360 5.938 -5.053 1.00 41.42 C ATOM 1084 OE1 GLU A 73 11.540 5.641 -6.248 1.00 21.13 O ATOM 1085 OE2 GLU A 73 11.821 6.979 -4.534 1.00 71.44 O ATOM 0 H GLU A 73 6.594 5.517 -4.366 1.00 14.22 H new ATOM 0 HA GLU A 73 8.368 4.058 -2.692 1.00 43.03 H new ATOM 0 HB2 GLU A 73 8.654 4.584 -5.139 1.00 51.41 H new ATOM 0 HB3 GLU A 73 8.878 6.273 -4.730 1.00 51.41 H new ATOM 0 HG2 GLU A 73 10.791 5.156 -3.146 1.00 4.51 H new ATOM 0 HG3 GLU A 73 10.753 3.980 -4.445 1.00 4.51 H new ATOM 1092 N LYS A 74 8.024 7.253 -2.027 1.00 64.25 N ATOM 1093 CA LYS A 74 8.363 8.311 -1.069 1.00 41.51 C ATOM 1094 C LYS A 74 7.793 7.950 0.304 1.00 11.43 C ATOM 1095 O LYS A 74 8.410 8.191 1.343 1.00 14.34 O ATOM 1096 CB LYS A 74 7.800 9.674 -1.532 1.00 11.24 C ATOM 1097 CG LYS A 74 7.941 9.952 -3.032 1.00 40.10 C ATOM 1098 CD LYS A 74 9.387 9.916 -3.514 1.00 51.40 C ATOM 1099 CE LYS A 74 9.457 9.951 -5.032 1.00 1.15 C ATOM 1100 NZ LYS A 74 10.837 9.708 -5.530 1.00 71.41 N ATOM 0 H LYS A 74 7.281 7.501 -2.680 1.00 64.25 H new ATOM 0 HA LYS A 74 9.448 8.395 -1.007 1.00 41.51 H new ATOM 0 HB2 LYS A 74 6.744 9.725 -1.265 1.00 11.24 H new ATOM 0 HB3 LYS A 74 8.306 10.466 -0.981 1.00 11.24 H new ATOM 0 HG2 LYS A 74 7.361 9.216 -3.588 1.00 40.10 H new ATOM 0 HG3 LYS A 74 7.514 10.930 -3.256 1.00 40.10 H new ATOM 0 HD2 LYS A 74 9.933 10.765 -3.102 1.00 51.40 H new ATOM 0 HD3 LYS A 74 9.875 9.014 -3.145 1.00 51.40 H new ATOM 0 HE2 LYS A 74 8.785 9.198 -5.444 1.00 1.15 H new ATOM 0 HE3 LYS A 74 9.108 10.920 -5.389 1.00 1.15 H new ATOM 0 HZ1 LYS A 74 10.836 9.706 -6.570 1.00 71.41 H new ATOM 0 HZ2 LYS A 74 11.468 10.460 -5.186 1.00 71.41 H new ATOM 0 HZ3 LYS A 74 11.174 8.787 -5.183 1.00 71.41 H new ATOM 1114 N VAL A 75 6.610 7.345 0.267 1.00 62.33 N ATOM 1115 CA VAL A 75 5.873 6.931 1.453 1.00 63.15 C ATOM 1116 C VAL A 75 6.473 5.669 2.103 1.00 45.44 C ATOM 1117 O VAL A 75 6.404 5.515 3.324 1.00 74.24 O ATOM 1118 CB VAL A 75 4.378 6.716 1.122 1.00 52.14 C ATOM 1119 CG1 VAL A 75 3.553 6.555 2.388 1.00 53.41 C ATOM 1120 CG2 VAL A 75 3.848 7.875 0.293 1.00 64.33 C ATOM 0 H VAL A 75 6.129 7.125 -0.605 1.00 62.33 H new ATOM 0 HA VAL A 75 5.959 7.738 2.180 1.00 63.15 H new ATOM 0 HB VAL A 75 4.291 5.797 0.542 1.00 52.14 H new ATOM 0 HG11 VAL A 75 2.506 6.405 2.124 1.00 53.41 H new ATOM 0 HG12 VAL A 75 3.912 5.692 2.949 1.00 53.41 H new ATOM 0 HG13 VAL A 75 3.648 7.452 3.001 1.00 53.41 H new ATOM 0 HG21 VAL A 75 2.794 7.709 0.068 1.00 64.33 H new ATOM 0 HG22 VAL A 75 3.958 8.803 0.854 1.00 64.33 H new ATOM 0 HG23 VAL A 75 4.411 7.944 -0.638 1.00 64.33 H new ATOM 1130 N GLU A 76 7.037 4.758 1.286 1.00 54.03 N ATOM 1131 CA GLU A 76 7.585 3.489 1.795 1.00 33.31 C ATOM 1132 C GLU A 76 8.767 3.727 2.754 1.00 64.50 C ATOM 1133 O GLU A 76 8.885 3.042 3.770 1.00 11.32 O ATOM 1134 CB GLU A 76 7.992 2.522 0.651 1.00 12.15 C ATOM 1135 CG GLU A 76 9.264 2.891 -0.092 1.00 31.20 C ATOM 1136 CD GLU A 76 9.784 1.795 -0.993 1.00 54.25 C ATOM 1137 OE1 GLU A 76 10.246 0.758 -0.476 1.00 74.53 O ATOM 1138 OE2 GLU A 76 9.750 1.971 -2.224 1.00 53.35 O ATOM 0 H GLU A 76 7.124 4.878 0.277 1.00 54.03 H new ATOM 0 HA GLU A 76 6.783 3.010 2.356 1.00 33.31 H new ATOM 0 HB2 GLU A 76 8.112 1.522 1.069 1.00 12.15 H new ATOM 0 HB3 GLU A 76 7.174 2.471 -0.067 1.00 12.15 H new ATOM 0 HG2 GLU A 76 9.078 3.783 -0.690 1.00 31.20 H new ATOM 0 HG3 GLU A 76 10.036 3.149 0.633 1.00 31.20 H new ATOM 1145 N ALA A 77 9.605 4.732 2.443 1.00 72.42 N ATOM 1146 CA ALA A 77 10.723 5.129 3.297 1.00 13.24 C ATOM 1147 C ALA A 77 10.235 5.702 4.630 1.00 70.20 C ATOM 1148 O ALA A 77 10.869 5.511 5.674 1.00 2.11 O ATOM 1149 CB ALA A 77 11.582 6.144 2.565 1.00 34.24 C ATOM 0 H ALA A 77 9.521 5.287 1.592 1.00 72.42 H new ATOM 0 HA ALA A 77 11.317 4.243 3.522 1.00 13.24 H new ATOM 0 HB1 ALA A 77 12.416 6.441 3.201 1.00 34.24 H new ATOM 0 HB2 ALA A 77 11.966 5.701 1.646 1.00 34.24 H new ATOM 0 HB3 ALA A 77 10.982 7.021 2.321 1.00 34.24 H new ATOM 1155 N TYR A 78 9.081 6.371 4.581 1.00 75.52 N ATOM 1156 CA TYR A 78 8.457 6.961 5.758 1.00 22.14 C ATOM 1157 C TYR A 78 7.844 5.877 6.670 1.00 62.32 C ATOM 1158 O TYR A 78 7.866 6.012 7.882 1.00 42.51 O ATOM 1159 CB TYR A 78 7.389 7.971 5.327 1.00 33.03 C ATOM 1160 CG TYR A 78 6.959 8.918 6.424 1.00 41.52 C ATOM 1161 CD1 TYR A 78 7.693 10.064 6.696 1.00 72.32 C ATOM 1162 CD2 TYR A 78 5.824 8.669 7.186 1.00 5.43 C ATOM 1163 CE1 TYR A 78 7.309 10.934 7.695 1.00 0.11 C ATOM 1164 CE2 TYR A 78 5.436 9.534 8.184 1.00 24.34 C ATOM 1165 CZ TYR A 78 6.181 10.663 8.436 1.00 21.42 C ATOM 1166 OH TYR A 78 5.797 11.523 9.435 1.00 60.52 O ATOM 0 H TYR A 78 8.555 6.517 3.719 1.00 75.52 H new ATOM 0 HA TYR A 78 9.225 7.478 6.333 1.00 22.14 H new ATOM 0 HB2 TYR A 78 7.771 8.553 4.488 1.00 33.03 H new ATOM 0 HB3 TYR A 78 6.515 7.428 4.966 1.00 33.03 H new ATOM 0 HD1 TYR A 78 8.579 10.278 6.116 1.00 72.32 H new ATOM 0 HD2 TYR A 78 5.237 7.783 6.992 1.00 5.43 H new ATOM 0 HE1 TYR A 78 7.890 11.822 7.895 1.00 0.11 H new ATOM 0 HE2 TYR A 78 4.551 9.327 8.767 1.00 24.34 H new ATOM 0 HH TYR A 78 4.980 11.187 9.860 1.00 60.52 H new ATOM 1176 N LEU A 79 7.316 4.802 6.086 1.00 55.34 N ATOM 1177 CA LEU A 79 6.731 3.700 6.864 1.00 50.44 C ATOM 1178 C LEU A 79 7.828 2.941 7.628 1.00 11.45 C ATOM 1179 O LEU A 79 7.615 2.499 8.762 1.00 13.44 O ATOM 1180 CB LEU A 79 5.931 2.768 5.922 1.00 53.13 C ATOM 1181 CG LEU A 79 4.912 1.777 6.553 1.00 60.22 C ATOM 1182 CD1 LEU A 79 5.569 0.475 6.987 1.00 54.12 C ATOM 1183 CD2 LEU A 79 4.160 2.409 7.723 1.00 25.44 C ATOM 0 H LEU A 79 7.279 4.667 5.076 1.00 55.34 H new ATOM 0 HA LEU A 79 6.042 4.102 7.607 1.00 50.44 H new ATOM 0 HB2 LEU A 79 5.389 3.396 5.215 1.00 53.13 H new ATOM 0 HB3 LEU A 79 6.648 2.184 5.345 1.00 53.13 H new ATOM 0 HG LEU A 79 4.191 1.540 5.771 1.00 60.22 H new ATOM 0 HD11 LEU A 79 4.818 -0.184 7.421 1.00 54.12 H new ATOM 0 HD12 LEU A 79 6.021 -0.010 6.122 1.00 54.12 H new ATOM 0 HD13 LEU A 79 6.339 0.686 7.729 1.00 54.12 H new ATOM 0 HD21 LEU A 79 3.458 1.686 8.137 1.00 25.44 H new ATOM 0 HD22 LEU A 79 4.871 2.707 8.494 1.00 25.44 H new ATOM 0 HD23 LEU A 79 3.614 3.286 7.374 1.00 25.44 H new ATOM 1195 N VAL A 80 9.005 2.822 7.011 1.00 32.35 N ATOM 1196 CA VAL A 80 10.150 2.156 7.636 1.00 63.14 C ATOM 1197 C VAL A 80 10.741 3.010 8.785 1.00 25.22 C ATOM 1198 O VAL A 80 11.158 2.463 9.805 1.00 64.14 O ATOM 1199 CB VAL A 80 11.247 1.798 6.582 1.00 70.24 C ATOM 1200 CG1 VAL A 80 12.413 1.040 7.202 1.00 3.11 C ATOM 1201 CG2 VAL A 80 10.662 0.967 5.448 1.00 33.33 C ATOM 0 H VAL A 80 9.191 3.180 6.074 1.00 32.35 H new ATOM 0 HA VAL A 80 9.788 1.223 8.067 1.00 63.14 H new ATOM 0 HB VAL A 80 11.619 2.745 6.190 1.00 70.24 H new ATOM 0 HG11 VAL A 80 13.150 0.813 6.432 1.00 3.11 H new ATOM 0 HG12 VAL A 80 12.874 1.653 7.977 1.00 3.11 H new ATOM 0 HG13 VAL A 80 12.050 0.111 7.642 1.00 3.11 H new ATOM 0 HG21 VAL A 80 11.446 0.731 4.728 1.00 33.33 H new ATOM 0 HG22 VAL A 80 10.249 0.042 5.850 1.00 33.33 H new ATOM 0 HG23 VAL A 80 9.872 1.532 4.953 1.00 33.33 H new ATOM 1211 N GLU A 81 10.731 4.348 8.651 1.00 24.41 N ATOM 1212 CA GLU A 81 11.254 5.216 9.721 1.00 22.25 C ATOM 1213 C GLU A 81 10.265 5.340 10.895 1.00 54.44 C ATOM 1214 O GLU A 81 10.671 5.644 12.017 1.00 32.23 O ATOM 1215 CB GLU A 81 11.646 6.615 9.208 1.00 45.23 C ATOM 1216 CG GLU A 81 10.483 7.496 8.784 1.00 73.54 C ATOM 1217 CD GLU A 81 10.867 8.948 8.638 1.00 62.02 C ATOM 1218 OE1 GLU A 81 10.921 9.654 9.667 1.00 11.32 O ATOM 1219 OE2 GLU A 81 11.116 9.395 7.504 1.00 32.11 O ATOM 0 H GLU A 81 10.376 4.843 7.833 1.00 24.41 H new ATOM 0 HA GLU A 81 12.160 4.729 10.083 1.00 22.25 H new ATOM 0 HB2 GLU A 81 12.204 7.129 9.991 1.00 45.23 H new ATOM 0 HB3 GLU A 81 12.321 6.498 8.360 1.00 45.23 H new ATOM 0 HG2 GLU A 81 10.086 7.133 7.836 1.00 73.54 H new ATOM 0 HG3 GLU A 81 9.682 7.410 9.518 1.00 73.54 H new ATOM 1226 N LYS A 82 8.971 5.121 10.636 1.00 71.42 N ATOM 1227 CA LYS A 82 7.959 5.193 11.692 1.00 22.12 C ATOM 1228 C LYS A 82 7.845 3.883 12.457 1.00 24.33 C ATOM 1229 O LYS A 82 7.577 3.901 13.661 1.00 61.02 O ATOM 1230 CB LYS A 82 6.582 5.548 11.100 1.00 61.02 C ATOM 1231 CG LYS A 82 6.467 6.959 10.525 1.00 3.14 C ATOM 1232 CD LYS A 82 6.156 8.031 11.567 1.00 14.44 C ATOM 1233 CE LYS A 82 7.348 8.407 12.435 1.00 11.13 C ATOM 1234 NZ LYS A 82 7.012 9.495 13.392 1.00 1.14 N ATOM 0 H LYS A 82 8.603 4.894 9.712 1.00 71.42 H new ATOM 0 HA LYS A 82 8.278 5.973 12.383 1.00 22.12 H new ATOM 0 HB2 LYS A 82 6.347 4.832 10.313 1.00 61.02 H new ATOM 0 HB3 LYS A 82 5.828 5.427 11.877 1.00 61.02 H new ATOM 0 HG2 LYS A 82 7.401 7.214 10.025 1.00 3.14 H new ATOM 0 HG3 LYS A 82 5.686 6.968 9.765 1.00 3.14 H new ATOM 0 HD2 LYS A 82 5.792 8.924 11.059 1.00 14.44 H new ATOM 0 HD3 LYS A 82 5.348 7.678 12.208 1.00 14.44 H new ATOM 0 HE2 LYS A 82 7.688 7.530 12.986 1.00 11.13 H new ATOM 0 HE3 LYS A 82 8.175 8.724 11.800 1.00 11.13 H new ATOM 0 HZ1 LYS A 82 7.578 9.383 14.257 1.00 1.14 H new ATOM 0 HZ2 LYS A 82 7.222 10.416 12.958 1.00 1.14 H new ATOM 0 HZ3 LYS A 82 6.001 9.447 13.631 1.00 1.14 H new ATOM 1248 N GLN A 83 8.051 2.754 11.733 1.00 55.13 N ATOM 1249 CA GLN A 83 7.866 1.373 12.249 1.00 41.24 C ATOM 1250 C GLN A 83 6.414 1.090 12.671 1.00 12.11 C ATOM 1251 O GLN A 83 6.129 0.065 13.291 1.00 44.00 O ATOM 1252 CB GLN A 83 8.825 1.062 13.416 1.00 74.52 C ATOM 1253 CG GLN A 83 10.277 0.906 13.000 1.00 10.33 C ATOM 1254 CD GLN A 83 10.503 -0.320 12.146 1.00 53.25 C ATOM 1255 OE1 GLN A 83 10.774 -1.399 12.657 1.00 2.30 O ATOM 1256 NE2 GLN A 83 10.384 -0.168 10.842 1.00 4.03 N ATOM 0 H GLN A 83 8.355 2.777 10.760 1.00 55.13 H new ATOM 0 HA GLN A 83 8.106 0.711 11.417 1.00 41.24 H new ATOM 0 HB2 GLN A 83 8.753 1.861 14.154 1.00 74.52 H new ATOM 0 HB3 GLN A 83 8.498 0.145 13.906 1.00 74.52 H new ATOM 0 HG2 GLN A 83 10.591 1.792 12.449 1.00 10.33 H new ATOM 0 HG3 GLN A 83 10.903 0.846 13.890 1.00 10.33 H new ATOM 0 HE21 GLN A 83 10.157 0.748 10.454 1.00 4.03 H new ATOM 0 HE22 GLN A 83 10.519 -0.966 10.221 1.00 4.03 H new ATOM 1265 N ASP A 84 5.502 1.972 12.279 1.00 31.33 N ATOM 1266 CA ASP A 84 4.133 1.928 12.741 1.00 23.12 C ATOM 1267 C ASP A 84 3.193 2.359 11.616 1.00 20.41 C ATOM 1268 O ASP A 84 3.308 3.471 11.090 1.00 74.12 O ATOM 1269 CB ASP A 84 3.961 2.825 13.979 1.00 12.12 C ATOM 1270 CG ASP A 84 2.568 2.746 14.576 1.00 51.10 C ATOM 1271 OD1 ASP A 84 2.162 1.651 15.019 1.00 72.31 O ATOM 1272 OD2 ASP A 84 1.873 3.773 14.598 1.00 42.54 O ATOM 0 H ASP A 84 5.698 2.735 11.632 1.00 31.33 H new ATOM 0 HA ASP A 84 3.882 0.907 13.027 1.00 23.12 H new ATOM 0 HB2 ASP A 84 4.692 2.537 14.735 1.00 12.12 H new ATOM 0 HB3 ASP A 84 4.176 3.858 13.706 1.00 12.12 H new ATOM 1277 N PRO A 85 2.259 1.460 11.224 1.00 50.22 N ATOM 1278 CA PRO A 85 1.304 1.682 10.110 1.00 52.45 C ATOM 1279 C PRO A 85 0.225 2.755 10.358 1.00 71.40 C ATOM 1280 O PRO A 85 -0.545 3.065 9.452 1.00 34.32 O ATOM 1281 CB PRO A 85 0.624 0.320 9.988 1.00 30.15 C ATOM 1282 CG PRO A 85 0.736 -0.291 11.333 1.00 52.34 C ATOM 1283 CD PRO A 85 2.089 0.108 11.808 1.00 25.32 C ATOM 0 HA PRO A 85 1.834 2.047 9.231 1.00 52.45 H new ATOM 0 HB2 PRO A 85 -0.419 0.426 9.689 1.00 30.15 H new ATOM 0 HB3 PRO A 85 1.111 -0.297 9.233 1.00 30.15 H new ATOM 0 HG2 PRO A 85 -0.044 0.074 12.002 1.00 52.34 H new ATOM 0 HG3 PRO A 85 0.635 -1.375 11.287 1.00 52.34 H new ATOM 0 HD2 PRO A 85 2.146 0.128 12.896 1.00 25.32 H new ATOM 0 HD3 PRO A 85 2.859 -0.582 11.461 1.00 25.32 H new ATOM 1291 N THR A 86 0.148 3.293 11.570 1.00 50.34 N ATOM 1292 CA THR A 86 -0.902 4.246 11.904 1.00 72.51 C ATOM 1293 C THR A 86 -0.323 5.568 12.455 1.00 44.25 C ATOM 1294 O THR A 86 -1.069 6.454 12.888 1.00 42.04 O ATOM 1295 CB THR A 86 -1.940 3.597 12.880 1.00 63.51 C ATOM 1296 OG1 THR A 86 -3.032 4.484 13.157 1.00 71.04 O ATOM 1297 CG2 THR A 86 -1.313 3.154 14.190 1.00 72.31 C ATOM 0 H THR A 86 0.795 3.087 12.332 1.00 50.34 H new ATOM 0 HA THR A 86 -1.430 4.506 10.987 1.00 72.51 H new ATOM 0 HB THR A 86 -2.315 2.713 12.364 1.00 63.51 H new ATOM 0 HG1 THR A 86 -2.717 5.411 13.122 1.00 71.04 H new ATOM 0 HG21 THR A 86 -2.078 2.711 14.828 1.00 72.31 H new ATOM 0 HG22 THR A 86 -0.536 2.416 13.990 1.00 72.31 H new ATOM 0 HG23 THR A 86 -0.875 4.016 14.693 1.00 72.31 H new ATOM 1305 N ASP A 87 1.005 5.727 12.404 1.00 22.12 N ATOM 1306 CA ASP A 87 1.642 6.968 12.857 1.00 10.12 C ATOM 1307 C ASP A 87 1.719 7.954 11.694 1.00 55.05 C ATOM 1308 O ASP A 87 2.700 7.973 10.941 1.00 40.12 O ATOM 1309 CB ASP A 87 3.043 6.702 13.431 1.00 12.13 C ATOM 1310 CG ASP A 87 3.537 7.834 14.323 1.00 0.24 C ATOM 1311 OD1 ASP A 87 3.941 8.897 13.805 1.00 54.33 O ATOM 1312 OD2 ASP A 87 3.530 7.660 15.556 1.00 52.00 O ATOM 0 H ASP A 87 1.653 5.020 12.057 1.00 22.12 H new ATOM 0 HA ASP A 87 1.037 7.396 13.656 1.00 10.12 H new ATOM 0 HB2 ASP A 87 3.027 5.775 14.003 1.00 12.13 H new ATOM 0 HB3 ASP A 87 3.746 6.558 12.611 1.00 12.13 H new ATOM 1317 N ILE A 88 0.650 8.736 11.530 1.00 31.21 N ATOM 1318 CA ILE A 88 0.511 9.650 10.403 1.00 61.34 C ATOM 1319 C ILE A 88 -0.680 10.597 10.646 1.00 64.42 C ATOM 1320 O ILE A 88 -1.637 10.230 11.335 1.00 73.44 O ATOM 1321 CB ILE A 88 0.341 8.850 9.063 1.00 11.30 C ATOM 1322 CG1 ILE A 88 0.460 9.761 7.834 1.00 71.03 C ATOM 1323 CG2 ILE A 88 -0.971 8.068 9.024 1.00 41.14 C ATOM 1324 CD1 ILE A 88 1.841 10.350 7.647 1.00 71.45 C ATOM 0 H ILE A 88 -0.140 8.751 12.175 1.00 31.21 H new ATOM 0 HA ILE A 88 1.416 10.251 10.314 1.00 61.34 H new ATOM 0 HB ILE A 88 1.159 8.131 9.030 1.00 11.30 H new ATOM 0 HG12 ILE A 88 0.193 9.192 6.943 1.00 71.03 H new ATOM 0 HG13 ILE A 88 -0.263 10.572 7.922 1.00 71.03 H new ATOM 0 HG21 ILE A 88 -1.046 7.530 8.079 1.00 41.14 H new ATOM 0 HG22 ILE A 88 -0.995 7.357 9.850 1.00 41.14 H new ATOM 0 HG23 ILE A 88 -1.809 8.759 9.116 1.00 41.14 H new ATOM 0 HD11 ILE A 88 1.850 10.982 6.759 1.00 71.45 H new ATOM 0 HD12 ILE A 88 2.103 10.947 8.520 1.00 71.45 H new ATOM 0 HD13 ILE A 88 2.566 9.545 7.526 1.00 71.45 H new ATOM 1336 N LYS A 89 -0.597 11.823 10.128 1.00 10.15 N ATOM 1337 CA LYS A 89 -1.711 12.761 10.199 1.00 51.30 C ATOM 1338 C LYS A 89 -1.920 13.436 8.847 1.00 41.53 C ATOM 1339 O LYS A 89 -0.952 13.756 8.147 1.00 72.13 O ATOM 1340 CB LYS A 89 -1.463 13.810 11.288 1.00 63.33 C ATOM 1341 CG LYS A 89 -2.704 14.137 12.111 1.00 2.10 C ATOM 1342 CD LYS A 89 -3.196 12.912 12.871 1.00 71.01 C ATOM 1343 CE LYS A 89 -4.390 13.217 13.762 1.00 42.25 C ATOM 1344 NZ LYS A 89 -5.612 13.530 12.975 1.00 64.20 N ATOM 0 H LYS A 89 0.231 12.187 9.656 1.00 10.15 H new ATOM 0 HA LYS A 89 -2.614 12.207 10.456 1.00 51.30 H new ATOM 0 HB2 LYS A 89 -0.679 13.452 11.955 1.00 63.33 H new ATOM 0 HB3 LYS A 89 -1.093 14.724 10.823 1.00 63.33 H new ATOM 0 HG2 LYS A 89 -2.477 14.938 12.814 1.00 2.10 H new ATOM 0 HG3 LYS A 89 -3.494 14.503 11.455 1.00 2.10 H new ATOM 0 HD2 LYS A 89 -3.468 12.133 12.159 1.00 71.01 H new ATOM 0 HD3 LYS A 89 -2.384 12.517 13.481 1.00 71.01 H new ATOM 0 HE2 LYS A 89 -4.586 12.362 14.410 1.00 42.25 H new ATOM 0 HE3 LYS A 89 -4.152 14.060 14.410 1.00 42.25 H new ATOM 0 HZ1 LYS A 89 -6.408 13.698 13.622 1.00 64.20 H new ATOM 0 HZ2 LYS A 89 -5.447 14.381 12.401 1.00 64.20 H new ATOM 0 HZ3 LYS A 89 -5.837 12.730 12.350 1.00 64.20 H new ATOM 1358 N TYR A 90 -3.184 13.633 8.480 1.00 51.13 N ATOM 1359 CA TYR A 90 -3.530 14.230 7.193 1.00 60.03 C ATOM 1360 C TYR A 90 -4.214 15.576 7.379 1.00 15.22 C ATOM 1361 O TYR A 90 -4.752 15.878 8.446 1.00 11.34 O ATOM 1362 CB TYR A 90 -4.459 13.319 6.367 1.00 41.12 C ATOM 1363 CG TYR A 90 -4.033 11.866 6.317 1.00 3.23 C ATOM 1364 CD1 TYR A 90 -2.867 11.483 5.665 1.00 22.44 C ATOM 1365 CD2 TYR A 90 -4.800 10.885 6.923 1.00 74.21 C ATOM 1366 CE1 TYR A 90 -2.479 10.159 5.621 1.00 52.11 C ATOM 1367 CE2 TYR A 90 -4.420 9.563 6.885 1.00 62.44 C ATOM 1368 CZ TYR A 90 -3.264 9.205 6.234 1.00 34.11 C ATOM 1369 OH TYR A 90 -2.896 7.887 6.195 1.00 41.40 O ATOM 0 H TYR A 90 -3.988 13.387 9.058 1.00 51.13 H new ATOM 0 HA TYR A 90 -2.591 14.362 6.655 1.00 60.03 H new ATOM 0 HB2 TYR A 90 -5.465 13.375 6.782 1.00 41.12 H new ATOM 0 HB3 TYR A 90 -4.513 13.704 5.349 1.00 41.12 H new ATOM 0 HD1 TYR A 90 -2.255 12.233 5.185 1.00 22.44 H new ATOM 0 HD2 TYR A 90 -5.711 11.162 7.433 1.00 74.21 H new ATOM 0 HE1 TYR A 90 -1.570 9.873 5.112 1.00 52.11 H new ATOM 0 HE2 TYR A 90 -5.028 8.810 7.365 1.00 62.44 H new ATOM 0 HH TYR A 90 -1.958 7.817 5.921 1.00 41.40 H new ATOM 1379 N LYS A 91 -4.155 16.379 6.329 1.00 22.34 N ATOM 1380 CA LYS A 91 -4.903 17.628 6.233 1.00 5.14 C ATOM 1381 C LYS A 91 -5.511 17.730 4.835 1.00 41.21 C ATOM 1382 O LYS A 91 -4.935 18.333 3.927 1.00 72.12 O ATOM 1383 CB LYS A 91 -4.026 18.865 6.580 1.00 62.42 C ATOM 1384 CG LYS A 91 -2.499 18.699 6.424 1.00 44.02 C ATOM 1385 CD LYS A 91 -1.998 18.714 4.974 1.00 33.13 C ATOM 1386 CE LYS A 91 -2.175 20.077 4.299 1.00 12.33 C ATOM 1387 NZ LYS A 91 -1.457 21.167 5.013 1.00 31.32 N ATOM 0 H LYS A 91 -3.581 16.182 5.509 1.00 22.34 H new ATOM 0 HA LYS A 91 -5.704 17.621 6.972 1.00 5.14 H new ATOM 0 HB2 LYS A 91 -4.344 19.695 5.949 1.00 62.42 H new ATOM 0 HB3 LYS A 91 -4.233 19.151 7.611 1.00 62.42 H new ATOM 0 HG2 LYS A 91 -2.002 19.498 6.974 1.00 44.02 H new ATOM 0 HG3 LYS A 91 -2.200 17.759 6.888 1.00 44.02 H new ATOM 0 HD2 LYS A 91 -0.943 18.439 4.956 1.00 33.13 H new ATOM 0 HD3 LYS A 91 -2.535 17.958 4.401 1.00 33.13 H new ATOM 0 HE2 LYS A 91 -1.812 20.020 3.273 1.00 12.33 H new ATOM 0 HE3 LYS A 91 -3.237 20.318 4.249 1.00 12.33 H new ATOM 0 HZ1 LYS A 91 -1.452 22.024 4.423 1.00 31.32 H new ATOM 0 HZ2 LYS A 91 -1.939 21.369 5.912 1.00 31.32 H new ATOM 0 HZ3 LYS A 91 -0.478 20.871 5.203 1.00 31.32 H new ATOM 1401 N ASP A 92 -6.678 17.119 4.651 1.00 42.10 N ATOM 1402 CA ASP A 92 -7.207 16.892 3.310 1.00 1.35 C ATOM 1403 C ASP A 92 -8.702 16.558 3.383 1.00 72.34 C ATOM 1404 O ASP A 92 -9.295 16.569 4.462 1.00 60.21 O ATOM 1405 CB ASP A 92 -6.421 15.748 2.655 1.00 54.43 C ATOM 1406 CG ASP A 92 -6.573 15.679 1.151 1.00 33.31 C ATOM 1407 OD1 ASP A 92 -6.390 16.708 0.480 1.00 62.25 O ATOM 1408 OD2 ASP A 92 -6.875 14.589 0.639 1.00 65.45 O ATOM 0 H ASP A 92 -7.271 16.775 5.406 1.00 42.10 H new ATOM 0 HA ASP A 92 -7.095 17.793 2.708 1.00 1.35 H new ATOM 0 HB2 ASP A 92 -5.365 15.861 2.898 1.00 54.43 H new ATOM 0 HB3 ASP A 92 -6.748 14.802 3.087 1.00 54.43 H new ATOM 1413 N ASN A 93 -9.297 16.275 2.226 1.00 12.40 N ATOM 1414 CA ASN A 93 -10.637 15.714 2.143 1.00 44.35 C ATOM 1415 C ASN A 93 -10.578 14.180 2.193 1.00 31.51 C ATOM 1416 O ASN A 93 -11.594 13.528 2.440 1.00 65.43 O ATOM 1417 CB ASN A 93 -11.339 16.154 0.848 1.00 33.32 C ATOM 1418 CG ASN A 93 -11.433 17.661 0.700 1.00 31.24 C ATOM 1419 OD1 ASN A 93 -12.311 18.292 1.277 1.00 73.42 O ATOM 1420 ND2 ASN A 93 -10.562 18.242 -0.110 1.00 61.23 N ATOM 0 H ASN A 93 -8.859 16.430 1.318 1.00 12.40 H new ATOM 0 HA ASN A 93 -11.206 16.084 2.996 1.00 44.35 H new ATOM 0 HB2 ASN A 93 -10.800 15.745 -0.007 1.00 33.32 H new ATOM 0 HB3 ASN A 93 -12.343 15.730 0.825 1.00 33.32 H new ATOM 0 HD21 ASN A 93 -10.608 19.248 -0.271 1.00 61.23 H new ATOM 0 HD22 ASN A 93 -9.845 17.684 -0.573 1.00 61.23 H new ATOM 1427 N ASP A 94 -9.380 13.613 1.968 1.00 61.44 N ATOM 1428 CA ASP A 94 -9.204 12.171 1.956 1.00 21.30 C ATOM 1429 C ASP A 94 -8.029 11.762 2.836 1.00 62.21 C ATOM 1430 O ASP A 94 -8.225 11.170 3.890 1.00 51.33 O ATOM 1431 CB ASP A 94 -8.962 11.640 0.540 1.00 61.35 C ATOM 1432 CG ASP A 94 -9.192 10.141 0.452 1.00 71.43 C ATOM 1433 OD1 ASP A 94 -10.336 9.732 0.182 1.00 40.43 O ATOM 1434 OD2 ASP A 94 -8.230 9.364 0.630 1.00 61.33 O ATOM 0 H ASP A 94 -8.525 14.142 1.793 1.00 61.44 H new ATOM 0 HA ASP A 94 -10.127 11.740 2.343 1.00 21.30 H new ATOM 0 HB2 ASP A 94 -9.625 12.151 -0.158 1.00 61.35 H new ATOM 0 HB3 ASP A 94 -7.941 11.869 0.235 1.00 61.35 H new ATOM 1439 N GLY A 95 -6.814 12.151 2.439 1.00 54.00 N ATOM 1440 CA GLY A 95 -5.634 11.531 3.001 1.00 42.04 C ATOM 1441 C GLY A 95 -4.326 12.057 2.439 1.00 33.42 C ATOM 1442 O GLY A 95 -3.400 11.289 2.221 1.00 63.43 O ATOM 0 H GLY A 95 -6.634 12.877 1.746 1.00 54.00 H new ATOM 0 HA2 GLY A 95 -5.638 11.680 4.081 1.00 42.04 H new ATOM 0 HA3 GLY A 95 -5.685 10.456 2.828 1.00 42.04 H new ATOM 1446 N HIS A 96 -4.235 13.360 2.210 1.00 52.01 N ATOM 1447 CA HIS A 96 -2.961 13.992 1.877 1.00 62.22 C ATOM 1448 C HIS A 96 -2.298 14.464 3.151 1.00 1.51 C ATOM 1449 O HIS A 96 -2.922 15.120 3.979 1.00 15.44 O ATOM 1450 CB HIS A 96 -3.113 15.177 0.912 1.00 12.53 C ATOM 1451 CG HIS A 96 -3.408 14.795 -0.502 1.00 43.24 C ATOM 1452 ND1 HIS A 96 -4.458 15.321 -1.220 1.00 13.42 N ATOM 1453 CD2 HIS A 96 -2.769 13.962 -1.338 1.00 34.24 C ATOM 1454 CE1 HIS A 96 -4.458 14.823 -2.431 1.00 51.02 C ATOM 1455 NE2 HIS A 96 -3.446 13.996 -2.533 1.00 31.21 N ATOM 0 H HIS A 96 -5.027 14.002 2.248 1.00 52.01 H new ATOM 0 HA HIS A 96 -2.350 13.245 1.370 1.00 62.22 H new ATOM 0 HB2 HIS A 96 -3.913 15.823 1.274 1.00 12.53 H new ATOM 0 HB3 HIS A 96 -2.195 15.764 0.932 1.00 12.53 H new ATOM 0 HD1 HIS A 96 -5.134 15.996 -0.863 1.00 13.42 H new ATOM 0 HD2 HIS A 96 -1.890 13.376 -1.114 1.00 34.24 H new ATOM 0 HE1 HIS A 96 -5.169 15.054 -3.211 1.00 51.02 H new ATOM 0 HE2 HIS A 96 -3.200 13.463 -3.367 1.00 31.21 H new ATOM 1464 N THR A 97 -1.037 14.143 3.284 1.00 52.20 N ATOM 1465 CA THR A 97 -0.317 14.371 4.518 1.00 44.23 C ATOM 1466 C THR A 97 0.672 15.524 4.363 1.00 11.10 C ATOM 1467 O THR A 97 1.232 15.742 3.286 1.00 44.35 O ATOM 1468 CB THR A 97 0.388 13.074 5.001 1.00 20.33 C ATOM 1469 OG1 THR A 97 1.252 13.335 6.113 1.00 3.21 O ATOM 1470 CG2 THR A 97 1.173 12.412 3.879 1.00 45.04 C ATOM 0 H THR A 97 -0.478 13.717 2.544 1.00 52.20 H new ATOM 0 HA THR A 97 -1.037 14.654 5.285 1.00 44.23 H new ATOM 0 HB THR A 97 -0.396 12.388 5.322 1.00 20.33 H new ATOM 0 HG1 THR A 97 0.713 13.523 6.909 1.00 3.21 H new ATOM 0 HG21 THR A 97 1.652 11.508 4.255 1.00 45.04 H new ATOM 0 HG22 THR A 97 0.496 12.152 3.065 1.00 45.04 H new ATOM 0 HG23 THR A 97 1.934 13.101 3.512 1.00 45.04 H new ATOM 1478 N ASP A 98 0.854 16.263 5.453 1.00 72.50 N ATOM 1479 CA ASP A 98 1.772 17.398 5.491 1.00 62.45 C ATOM 1480 C ASP A 98 3.198 16.926 5.794 1.00 51.44 C ATOM 1481 O ASP A 98 4.174 17.614 5.484 1.00 73.03 O ATOM 1482 CB ASP A 98 1.302 18.382 6.569 1.00 33.43 C ATOM 1483 CG ASP A 98 1.863 19.780 6.391 1.00 50.03 C ATOM 1484 OD1 ASP A 98 1.361 20.512 5.515 1.00 32.53 O ATOM 1485 OD2 ASP A 98 2.789 20.158 7.135 1.00 53.45 O ATOM 0 H ASP A 98 0.370 16.093 6.335 1.00 72.50 H new ATOM 0 HA ASP A 98 1.777 17.891 4.519 1.00 62.45 H new ATOM 0 HB2 ASP A 98 0.213 18.431 6.557 1.00 33.43 H new ATOM 0 HB3 ASP A 98 1.593 18.003 7.549 1.00 33.43 H new ATOM 1490 N ALA A 99 3.301 15.727 6.371 1.00 2.14 N ATOM 1491 CA ALA A 99 4.561 15.203 6.869 1.00 21.12 C ATOM 1492 C ALA A 99 5.394 14.554 5.762 1.00 53.21 C ATOM 1493 O ALA A 99 6.602 14.784 5.682 1.00 74.22 O ATOM 1494 CB ALA A 99 4.301 14.218 7.998 1.00 2.11 C ATOM 0 H ALA A 99 2.510 15.097 6.503 1.00 2.14 H new ATOM 0 HA ALA A 99 5.143 16.042 7.251 1.00 21.12 H new ATOM 0 HB1 ALA A 99 5.250 13.829 8.367 1.00 2.11 H new ATOM 0 HB2 ALA A 99 3.776 14.724 8.809 1.00 2.11 H new ATOM 0 HB3 ALA A 99 3.690 13.394 7.629 1.00 2.11 H new ATOM 1500 N ILE A 100 4.761 13.755 4.902 1.00 31.31 N ATOM 1501 CA ILE A 100 5.495 13.081 3.832 1.00 62.15 C ATOM 1502 C ILE A 100 5.590 13.985 2.609 1.00 24.55 C ATOM 1503 O ILE A 100 4.604 14.194 1.890 1.00 64.34 O ATOM 1504 CB ILE A 100 4.865 11.729 3.406 1.00 32.35 C ATOM 1505 CG1 ILE A 100 4.472 10.902 4.631 1.00 33.33 C ATOM 1506 CG2 ILE A 100 5.854 10.945 2.531 1.00 50.02 C ATOM 1507 CD1 ILE A 100 3.671 9.663 4.298 1.00 65.23 C ATOM 0 H ILE A 100 3.760 13.561 4.924 1.00 31.31 H new ATOM 0 HA ILE A 100 6.485 12.867 4.236 1.00 62.15 H new ATOM 0 HB ILE A 100 3.962 11.933 2.830 1.00 32.35 H new ATOM 0 HG12 ILE A 100 5.376 10.607 5.164 1.00 33.33 H new ATOM 0 HG13 ILE A 100 3.892 11.527 5.309 1.00 33.33 H new ATOM 0 HG21 ILE A 100 5.405 9.997 2.235 1.00 50.02 H new ATOM 0 HG22 ILE A 100 6.093 11.527 1.641 1.00 50.02 H new ATOM 0 HG23 ILE A 100 6.767 10.754 3.095 1.00 50.02 H new ATOM 0 HD11 ILE A 100 3.429 9.128 5.217 1.00 65.23 H new ATOM 0 HD12 ILE A 100 2.749 9.951 3.792 1.00 65.23 H new ATOM 0 HD13 ILE A 100 4.256 9.016 3.645 1.00 65.23 H new ATOM 1519 N SER A 101 6.775 14.545 2.419 1.00 44.11 N ATOM 1520 CA SER A 101 7.095 15.311 1.227 1.00 62.30 C ATOM 1521 C SER A 101 7.270 14.366 0.042 1.00 63.32 C ATOM 1522 O SER A 101 8.134 13.481 0.060 1.00 62.24 O ATOM 1523 CB SER A 101 8.365 16.134 1.459 1.00 5.42 C ATOM 1524 OG SER A 101 8.228 16.965 2.601 1.00 11.22 O ATOM 0 H SER A 101 7.542 14.480 3.088 1.00 44.11 H new ATOM 0 HA SER A 101 6.278 15.998 1.006 1.00 62.30 H new ATOM 0 HB2 SER A 101 9.217 15.467 1.590 1.00 5.42 H new ATOM 0 HB3 SER A 101 8.572 16.746 0.581 1.00 5.42 H new ATOM 0 HG SER A 101 9.051 17.480 2.731 1.00 11.22 H new ATOM 1530 N GLY A 102 6.421 14.533 -0.965 1.00 44.23 N ATOM 1531 CA GLY A 102 6.429 13.636 -2.099 1.00 63.42 C ATOM 1532 C GLY A 102 5.127 12.880 -2.259 1.00 41.00 C ATOM 1533 O GLY A 102 4.834 12.398 -3.344 1.00 25.13 O ATOM 0 H GLY A 102 5.726 15.278 -1.014 1.00 44.23 H new ATOM 0 HA2 GLY A 102 6.626 14.207 -3.006 1.00 63.42 H new ATOM 0 HA3 GLY A 102 7.246 12.923 -1.987 1.00 63.42 H new ATOM 1537 N ALA A 103 4.345 12.769 -1.183 1.00 32.43 N ATOM 1538 CA ALA A 103 3.055 12.092 -1.246 1.00 23.14 C ATOM 1539 C ALA A 103 1.955 13.052 -1.714 1.00 52.15 C ATOM 1540 O ALA A 103 1.317 13.742 -0.911 1.00 43.01 O ATOM 1541 CB ALA A 103 2.707 11.481 0.106 1.00 74.43 C ATOM 0 H ALA A 103 4.584 13.139 -0.263 1.00 32.43 H new ATOM 0 HA ALA A 103 3.127 11.286 -1.977 1.00 23.14 H new ATOM 0 HB1 ALA A 103 1.741 10.980 0.041 1.00 74.43 H new ATOM 0 HB2 ALA A 103 3.473 10.758 0.387 1.00 74.43 H new ATOM 0 HB3 ALA A 103 2.658 12.268 0.859 1.00 74.43 H new ATOM 1547 N THR A 104 1.767 13.115 -3.032 1.00 15.41 N ATOM 1548 CA THR A 104 0.747 13.968 -3.637 1.00 2.30 C ATOM 1549 C THR A 104 -0.475 13.153 -4.062 1.00 22.12 C ATOM 1550 O THR A 104 -1.431 13.685 -4.627 1.00 35.24 O ATOM 1551 CB THR A 104 1.319 14.747 -4.841 1.00 21.25 C ATOM 1552 OG1 THR A 104 2.027 13.860 -5.713 1.00 74.34 O ATOM 1553 CG2 THR A 104 2.253 15.856 -4.371 1.00 74.34 C ATOM 0 H THR A 104 2.314 12.579 -3.706 1.00 15.41 H new ATOM 0 HA THR A 104 0.431 14.687 -2.881 1.00 2.30 H new ATOM 0 HB THR A 104 0.486 15.195 -5.382 1.00 21.25 H new ATOM 0 HG1 THR A 104 2.384 14.365 -6.473 1.00 74.34 H new ATOM 0 HG21 THR A 104 2.645 16.392 -5.235 1.00 74.34 H new ATOM 0 HG22 THR A 104 1.704 16.548 -3.733 1.00 74.34 H new ATOM 0 HG23 THR A 104 3.079 15.422 -3.808 1.00 74.34 H new ATOM 1561 N ILE A 105 -0.425 11.858 -3.791 1.00 41.01 N ATOM 1562 CA ILE A 105 -1.575 10.981 -3.930 1.00 31.01 C ATOM 1563 C ILE A 105 -2.109 10.657 -2.514 1.00 54.30 C ATOM 1564 O ILE A 105 -1.335 10.687 -1.551 1.00 53.42 O ATOM 1565 CB ILE A 105 -1.167 9.724 -4.780 1.00 1.14 C ATOM 1566 CG1 ILE A 105 -2.384 8.893 -5.274 1.00 52.22 C ATOM 1567 CG2 ILE A 105 -0.142 8.854 -4.057 1.00 24.01 C ATOM 1568 CD1 ILE A 105 -2.942 7.846 -4.318 1.00 21.43 C ATOM 0 H ILE A 105 0.418 11.385 -3.467 1.00 41.01 H new ATOM 0 HA ILE A 105 -2.394 11.451 -4.475 1.00 31.01 H new ATOM 0 HB ILE A 105 -0.689 10.116 -5.677 1.00 1.14 H new ATOM 0 HG12 ILE A 105 -3.188 9.586 -5.524 1.00 52.22 H new ATOM 0 HG13 ILE A 105 -2.098 8.390 -6.198 1.00 52.22 H new ATOM 0 HG21 ILE A 105 0.112 7.997 -4.680 1.00 24.01 H new ATOM 0 HG22 ILE A 105 0.757 9.438 -3.860 1.00 24.01 H new ATOM 0 HG23 ILE A 105 -0.562 8.505 -3.113 1.00 24.01 H new ATOM 0 HD11 ILE A 105 -3.786 7.340 -4.786 1.00 21.43 H new ATOM 0 HD12 ILE A 105 -2.166 7.117 -4.084 1.00 21.43 H new ATOM 0 HD13 ILE A 105 -3.273 8.331 -3.400 1.00 21.43 H new ATOM 1580 N LYS A 106 -3.443 10.477 -2.387 1.00 20.35 N ATOM 1581 CA LYS A 106 -4.097 10.150 -1.107 1.00 20.43 C ATOM 1582 C LYS A 106 -3.545 8.875 -0.500 1.00 34.24 C ATOM 1583 O LYS A 106 -3.867 7.766 -0.925 1.00 13.42 O ATOM 1584 CB LYS A 106 -5.606 9.984 -1.285 1.00 11.53 C ATOM 1585 CG LYS A 106 -6.283 11.089 -2.078 1.00 65.21 C ATOM 1586 CD LYS A 106 -6.968 10.555 -3.345 1.00 13.31 C ATOM 1587 CE LYS A 106 -8.360 9.955 -3.095 1.00 3.32 C ATOM 1588 NZ LYS A 106 -8.322 8.632 -2.413 1.00 62.45 N ATOM 0 H LYS A 106 -4.092 10.555 -3.170 1.00 20.35 H new ATOM 0 HA LYS A 106 -3.891 10.985 -0.437 1.00 20.43 H new ATOM 0 HB2 LYS A 106 -5.796 9.032 -1.781 1.00 11.53 H new ATOM 0 HB3 LYS A 106 -6.069 9.928 -0.300 1.00 11.53 H new ATOM 0 HG2 LYS A 106 -7.022 11.586 -1.449 1.00 65.21 H new ATOM 0 HG3 LYS A 106 -5.544 11.841 -2.355 1.00 65.21 H new ATOM 0 HD2 LYS A 106 -7.057 11.367 -4.067 1.00 13.31 H new ATOM 0 HD3 LYS A 106 -6.331 9.795 -3.797 1.00 13.31 H new ATOM 0 HE2 LYS A 106 -8.943 10.650 -2.491 1.00 3.32 H new ATOM 0 HE3 LYS A 106 -8.878 9.849 -4.048 1.00 3.32 H new ATOM 0 HZ1 LYS A 106 -9.275 8.215 -2.411 1.00 62.45 H new ATOM 0 HZ2 LYS A 106 -7.668 8.000 -2.918 1.00 62.45 H new ATOM 0 HZ3 LYS A 106 -7.997 8.756 -1.433 1.00 62.45 H new ATOM 1602 N VAL A 107 -2.746 9.063 0.533 1.00 62.25 N ATOM 1603 CA VAL A 107 -1.970 8.012 1.118 1.00 41.11 C ATOM 1604 C VAL A 107 -2.676 7.361 2.311 1.00 12.43 C ATOM 1605 O VAL A 107 -2.111 6.486 2.985 1.00 53.24 O ATOM 1606 CB VAL A 107 -0.577 8.569 1.475 1.00 51.33 C ATOM 1607 CG1 VAL A 107 -0.446 9.143 2.883 1.00 72.31 C ATOM 1608 CG2 VAL A 107 0.429 7.519 1.187 1.00 73.14 C ATOM 0 H VAL A 107 -2.623 9.967 0.988 1.00 62.25 H new ATOM 0 HA VAL A 107 -1.850 7.206 0.394 1.00 41.11 H new ATOM 0 HB VAL A 107 -0.402 9.444 0.848 1.00 51.33 H new ATOM 0 HG11 VAL A 107 0.570 9.508 3.034 1.00 72.31 H new ATOM 0 HG12 VAL A 107 -1.149 9.966 3.007 1.00 72.31 H new ATOM 0 HG13 VAL A 107 -0.665 8.365 3.615 1.00 72.31 H new ATOM 0 HG21 VAL A 107 1.424 7.891 1.432 1.00 73.14 H new ATOM 0 HG22 VAL A 107 0.214 6.635 1.787 1.00 73.14 H new ATOM 0 HG23 VAL A 107 0.390 7.258 0.129 1.00 73.14 H new ATOM 1618 N LYS A 108 -3.938 7.754 2.526 1.00 1.22 N ATOM 1619 CA LYS A 108 -4.761 7.179 3.577 1.00 32.41 C ATOM 1620 C LYS A 108 -4.959 5.686 3.336 1.00 41.01 C ATOM 1621 O LYS A 108 -4.907 4.916 4.275 1.00 60.12 O ATOM 1622 CB LYS A 108 -6.114 7.887 3.668 1.00 20.42 C ATOM 1623 CG LYS A 108 -6.860 7.582 4.964 1.00 55.11 C ATOM 1624 CD LYS A 108 -8.239 8.209 5.004 1.00 45.54 C ATOM 1625 CE LYS A 108 -9.174 7.620 3.954 1.00 1.21 C ATOM 1626 NZ LYS A 108 -9.557 6.219 4.266 1.00 4.33 N ATOM 0 H LYS A 108 -4.407 8.474 1.977 1.00 1.22 H new ATOM 0 HA LYS A 108 -4.243 7.318 4.526 1.00 32.41 H new ATOM 0 HB2 LYS A 108 -5.961 8.963 3.588 1.00 20.42 H new ATOM 0 HB3 LYS A 108 -6.732 7.589 2.821 1.00 20.42 H new ATOM 0 HG2 LYS A 108 -6.952 6.502 5.080 1.00 55.11 H new ATOM 0 HG3 LYS A 108 -6.275 7.945 5.809 1.00 55.11 H new ATOM 0 HD2 LYS A 108 -8.672 8.066 5.994 1.00 45.54 H new ATOM 0 HD3 LYS A 108 -8.151 9.284 4.847 1.00 45.54 H new ATOM 0 HE2 LYS A 108 -10.072 8.234 3.885 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -8.689 7.654 2.978 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -10.219 5.871 3.544 1.00 4.33 H new ATOM 0 HZ2 LYS A 108 -8.707 5.620 4.273 1.00 4.33 H new ATOM 0 HZ3 LYS A 108 -10.013 6.184 5.200 1.00 4.33 H new ATOM 1640 N LYS A 109 -5.081 5.294 2.054 1.00 33.33 N ATOM 1641 CA LYS A 109 -5.241 3.891 1.670 1.00 52.14 C ATOM 1642 C LYS A 109 -4.000 3.054 2.036 1.00 33.42 C ATOM 1643 O LYS A 109 -4.151 1.943 2.519 1.00 44.02 O ATOM 1644 CB LYS A 109 -5.501 3.767 0.164 1.00 1.33 C ATOM 1645 CG LYS A 109 -5.944 2.367 -0.264 1.00 41.44 C ATOM 1646 CD LYS A 109 -7.457 2.261 -0.422 1.00 2.41 C ATOM 1647 CE LYS A 109 -7.978 3.108 -1.584 1.00 31.23 C ATOM 1648 NZ LYS A 109 -7.383 2.699 -2.886 1.00 62.54 N ATOM 0 H LYS A 109 -5.071 5.941 1.265 1.00 33.33 H new ATOM 0 HA LYS A 109 -6.097 3.506 2.224 1.00 52.14 H new ATOM 0 HB2 LYS A 109 -6.267 4.486 -0.125 1.00 1.33 H new ATOM 0 HB3 LYS A 109 -4.593 4.034 -0.377 1.00 1.33 H new ATOM 0 HG2 LYS A 109 -5.464 2.109 -1.208 1.00 41.44 H new ATOM 0 HG3 LYS A 109 -5.606 1.640 0.475 1.00 41.44 H new ATOM 0 HD2 LYS A 109 -7.731 1.218 -0.583 1.00 2.41 H new ATOM 0 HD3 LYS A 109 -7.940 2.579 0.502 1.00 2.41 H new ATOM 0 HE2 LYS A 109 -9.063 3.020 -1.638 1.00 31.23 H new ATOM 0 HE3 LYS A 109 -7.752 4.158 -1.397 1.00 31.23 H new ATOM 0 HZ1 LYS A 109 -7.838 3.229 -3.657 1.00 62.54 H new ATOM 0 HZ2 LYS A 109 -6.363 2.902 -2.881 1.00 62.54 H new ATOM 0 HZ3 LYS A 109 -7.532 1.680 -3.031 1.00 62.54 H new ATOM 1662 N PHE A 110 -2.795 3.622 1.827 1.00 21.22 N ATOM 1663 CA PHE A 110 -1.518 2.942 2.130 1.00 23.03 C ATOM 1664 C PHE A 110 -1.453 2.584 3.601 1.00 3.11 C ATOM 1665 O PHE A 110 -1.172 1.445 3.956 1.00 73.41 O ATOM 1666 CB PHE A 110 -0.310 3.843 1.752 1.00 25.12 C ATOM 1667 CG PHE A 110 1.051 3.347 2.210 1.00 2.12 C ATOM 1668 CD1 PHE A 110 1.798 2.473 1.435 1.00 13.32 C ATOM 1669 CD2 PHE A 110 1.573 3.755 3.431 1.00 33.41 C ATOM 1670 CE1 PHE A 110 3.031 2.020 1.874 1.00 14.21 C ATOM 1671 CE2 PHE A 110 2.796 3.310 3.868 1.00 15.25 C ATOM 1672 CZ PHE A 110 3.525 2.440 3.095 1.00 60.43 C ATOM 0 H PHE A 110 -2.679 4.561 1.445 1.00 21.22 H new ATOM 0 HA PHE A 110 -1.469 2.029 1.537 1.00 23.03 H new ATOM 0 HB2 PHE A 110 -0.289 3.955 0.668 1.00 25.12 H new ATOM 0 HB3 PHE A 110 -0.475 4.835 2.172 1.00 25.12 H new ATOM 0 HD1 PHE A 110 1.415 2.143 0.481 1.00 13.32 H new ATOM 0 HD2 PHE A 110 1.006 4.436 4.049 1.00 33.41 H new ATOM 0 HE1 PHE A 110 3.606 1.340 1.263 1.00 14.21 H new ATOM 0 HE2 PHE A 110 3.184 3.644 4.819 1.00 15.25 H new ATOM 0 HZ PHE A 110 4.484 2.084 3.441 1.00 60.43 H new ATOM 1682 N PHE A 111 -1.739 3.576 4.428 1.00 12.00 N ATOM 1683 CA PHE A 111 -1.667 3.425 5.862 1.00 73.32 C ATOM 1684 C PHE A 111 -2.814 2.565 6.399 1.00 10.54 C ATOM 1685 O PHE A 111 -2.628 1.866 7.378 1.00 23.20 O ATOM 1686 CB PHE A 111 -1.608 4.800 6.527 1.00 13.43 C ATOM 1687 CG PHE A 111 -0.243 5.448 6.423 1.00 15.33 C ATOM 1688 CD1 PHE A 111 0.756 5.094 7.320 1.00 75.44 C ATOM 1689 CD2 PHE A 111 0.052 6.406 5.449 1.00 22.12 C ATOM 1690 CE1 PHE A 111 2.009 5.665 7.256 1.00 23.41 C ATOM 1691 CE2 PHE A 111 1.309 6.974 5.387 1.00 12.42 C ATOM 1692 CZ PHE A 111 2.285 6.607 6.291 1.00 25.14 C ATOM 0 H PHE A 111 -2.027 4.505 4.120 1.00 12.00 H new ATOM 0 HA PHE A 111 -0.750 2.892 6.112 1.00 73.32 H new ATOM 0 HB2 PHE A 111 -2.350 5.452 6.067 1.00 13.43 H new ATOM 0 HB3 PHE A 111 -1.878 4.701 7.578 1.00 13.43 H new ATOM 0 HD1 PHE A 111 0.547 4.358 8.082 1.00 75.44 H new ATOM 0 HD2 PHE A 111 -0.707 6.704 4.741 1.00 22.12 H new ATOM 0 HE1 PHE A 111 2.773 5.374 7.962 1.00 23.41 H new ATOM 0 HE2 PHE A 111 1.529 7.709 4.627 1.00 12.42 H new ATOM 0 HZ PHE A 111 3.265 7.059 6.241 1.00 25.14 H new ATOM 1702 N ASP A 112 -3.972 2.579 5.722 1.00 63.12 N ATOM 1703 CA ASP A 112 -5.110 1.715 6.083 1.00 61.41 C ATOM 1704 C ASP A 112 -4.797 0.245 5.826 1.00 21.35 C ATOM 1705 O ASP A 112 -5.116 -0.603 6.650 1.00 42.24 O ATOM 1706 CB ASP A 112 -6.384 2.073 5.303 1.00 73.51 C ATOM 1707 CG ASP A 112 -7.102 3.315 5.798 1.00 45.11 C ATOM 1708 OD1 ASP A 112 -7.009 3.633 6.998 1.00 11.44 O ATOM 1709 OD2 ASP A 112 -7.777 3.973 4.974 1.00 31.01 O ATOM 0 H ASP A 112 -4.147 3.181 4.918 1.00 63.12 H new ATOM 0 HA ASP A 112 -5.281 1.882 7.146 1.00 61.41 H new ATOM 0 HB2 ASP A 112 -6.124 2.214 4.254 1.00 73.51 H new ATOM 0 HB3 ASP A 112 -7.072 1.229 5.350 1.00 73.51 H new ATOM 1714 N LEU A 113 -4.167 -0.042 4.682 1.00 62.13 N ATOM 1715 CA LEU A 113 -3.808 -1.416 4.286 1.00 75.32 C ATOM 1716 C LEU A 113 -2.633 -1.926 5.116 1.00 52.31 C ATOM 1717 O LEU A 113 -2.520 -3.112 5.378 1.00 2.41 O ATOM 1718 CB LEU A 113 -3.429 -1.487 2.792 1.00 63.33 C ATOM 1719 CG LEU A 113 -4.547 -1.506 1.721 1.00 4.20 C ATOM 1720 CD1 LEU A 113 -5.915 -1.098 2.249 1.00 12.53 C ATOM 1721 CD2 LEU A 113 -4.141 -0.618 0.573 1.00 30.43 C ATOM 0 H LEU A 113 -3.890 0.667 4.003 1.00 62.13 H new ATOM 0 HA LEU A 113 -4.683 -2.041 4.463 1.00 75.32 H new ATOM 0 HB2 LEU A 113 -2.786 -0.633 2.577 1.00 63.33 H new ATOM 0 HB3 LEU A 113 -2.826 -2.384 2.650 1.00 63.33 H new ATOM 0 HG LEU A 113 -4.657 -2.539 1.392 1.00 4.20 H new ATOM 0 HD11 LEU A 113 -6.644 -1.137 1.439 1.00 12.53 H new ATOM 0 HD12 LEU A 113 -6.217 -1.782 3.042 1.00 12.53 H new ATOM 0 HD13 LEU A 113 -5.865 -0.083 2.644 1.00 12.53 H new ATOM 0 HD21 LEU A 113 -4.923 -0.625 -0.187 1.00 30.43 H new ATOM 0 HD22 LEU A 113 -3.995 0.400 0.934 1.00 30.43 H new ATOM 0 HD23 LEU A 113 -3.211 -0.986 0.140 1.00 30.43 H new ATOM 1733 N ALA A 114 -1.759 -1.007 5.520 1.00 10.53 N ATOM 1734 CA ALA A 114 -0.666 -1.315 6.430 1.00 44.30 C ATOM 1735 C ALA A 114 -1.194 -1.701 7.821 1.00 4.31 C ATOM 1736 O ALA A 114 -0.663 -2.609 8.464 1.00 11.11 O ATOM 1737 CB ALA A 114 0.275 -0.124 6.516 1.00 34.31 C ATOM 0 H ALA A 114 -1.791 -0.031 5.225 1.00 10.53 H new ATOM 0 HA ALA A 114 -0.117 -2.173 6.042 1.00 44.30 H new ATOM 0 HB1 ALA A 114 1.093 -0.355 7.198 1.00 34.31 H new ATOM 0 HB2 ALA A 114 0.677 0.094 5.527 1.00 34.31 H new ATOM 0 HB3 ALA A 114 -0.270 0.745 6.885 1.00 34.31 H new ATOM 1743 N GLN A 115 -2.260 -1.007 8.260 1.00 63.15 N ATOM 1744 CA GLN A 115 -2.945 -1.310 9.523 1.00 73.53 C ATOM 1745 C GLN A 115 -3.669 -2.653 9.450 1.00 21.31 C ATOM 1746 O GLN A 115 -3.649 -3.415 10.407 1.00 63.24 O ATOM 1747 CB GLN A 115 -3.953 -0.208 9.876 1.00 12.22 C ATOM 1748 CG GLN A 115 -3.318 1.081 10.368 1.00 35.43 C ATOM 1749 CD GLN A 115 -4.318 2.218 10.497 1.00 2.35 C ATOM 1750 OE1 GLN A 115 -4.938 2.403 11.539 1.00 73.13 O ATOM 1751 NE2 GLN A 115 -4.460 3.001 9.443 1.00 14.42 N ATOM 0 H GLN A 115 -2.667 -0.224 7.749 1.00 63.15 H new ATOM 0 HA GLN A 115 -2.183 -1.362 10.301 1.00 73.53 H new ATOM 0 HB2 GLN A 115 -4.558 0.011 8.996 1.00 12.22 H new ATOM 0 HB3 GLN A 115 -4.630 -0.583 10.644 1.00 12.22 H new ATOM 0 HG2 GLN A 115 -2.850 0.904 11.336 1.00 35.43 H new ATOM 0 HG3 GLN A 115 -2.526 1.376 9.680 1.00 35.43 H new ATOM 0 HE21 GLN A 115 -3.927 2.815 8.594 1.00 14.42 H new ATOM 0 HE22 GLN A 115 -5.103 3.792 9.478 1.00 14.42 H new ATOM 1760 N LYS A 116 -4.281 -2.937 8.297 1.00 11.25 N ATOM 1761 CA LYS A 116 -5.007 -4.187 8.068 1.00 13.40 C ATOM 1762 C LYS A 116 -4.080 -5.401 7.971 1.00 22.24 C ATOM 1763 O LYS A 116 -4.510 -6.517 8.223 1.00 73.23 O ATOM 1764 CB LYS A 116 -5.847 -4.106 6.800 1.00 4.43 C ATOM 1765 CG LYS A 116 -7.073 -3.220 6.904 1.00 1.33 C ATOM 1766 CD LYS A 116 -7.841 -3.194 5.590 1.00 74.41 C ATOM 1767 CE LYS A 116 -8.445 -4.555 5.253 1.00 5.22 C ATOM 1768 NZ LYS A 116 -9.239 -4.523 4.000 1.00 23.33 N ATOM 0 H LYS A 116 -4.286 -2.305 7.496 1.00 11.25 H new ATOM 0 HA LYS A 116 -5.653 -4.321 8.936 1.00 13.40 H new ATOM 0 HB2 LYS A 116 -5.219 -3.739 5.988 1.00 4.43 H new ATOM 0 HB3 LYS A 116 -6.165 -5.112 6.527 1.00 4.43 H new ATOM 0 HG2 LYS A 116 -7.722 -3.583 7.701 1.00 1.33 H new ATOM 0 HG3 LYS A 116 -6.772 -2.208 7.174 1.00 1.33 H new ATOM 0 HD2 LYS A 116 -8.635 -2.450 5.649 1.00 74.41 H new ATOM 0 HD3 LYS A 116 -7.173 -2.885 4.786 1.00 74.41 H new ATOM 0 HE2 LYS A 116 -7.647 -5.291 5.156 1.00 5.22 H new ATOM 0 HE3 LYS A 116 -9.081 -4.882 6.076 1.00 5.22 H new ATOM 0 HZ1 LYS A 116 -9.643 -5.464 3.821 1.00 23.33 H new ATOM 0 HZ2 LYS A 116 -10.007 -3.828 4.094 1.00 23.33 H new ATOM 0 HZ3 LYS A 116 -8.624 -4.254 3.206 1.00 23.33 H new ATOM 1782 N ALA A 117 -2.837 -5.188 7.556 1.00 24.45 N ATOM 1783 CA ALA A 117 -1.862 -6.272 7.449 1.00 74.15 C ATOM 1784 C ALA A 117 -1.475 -6.825 8.816 1.00 43.43 C ATOM 1785 O ALA A 117 -1.349 -8.037 9.002 1.00 45.42 O ATOM 1786 CB ALA A 117 -0.633 -5.790 6.707 1.00 34.33 C ATOM 0 H ALA A 117 -2.477 -4.272 7.287 1.00 24.45 H new ATOM 0 HA ALA A 117 -2.326 -7.084 6.890 1.00 74.15 H new ATOM 0 HB1 ALA A 117 0.089 -6.603 6.631 1.00 34.33 H new ATOM 0 HB2 ALA A 117 -0.917 -5.463 5.707 1.00 34.33 H new ATOM 0 HB3 ALA A 117 -0.185 -4.957 7.248 1.00 34.33 H new ATOM 1792 N LEU A 118 -1.340 -5.928 9.780 1.00 51.23 N ATOM 1793 CA LEU A 118 -0.833 -6.278 11.097 1.00 35.24 C ATOM 1794 C LEU A 118 -1.934 -6.205 12.158 1.00 42.34 C ATOM 1795 O LEU A 118 -1.643 -6.257 13.353 1.00 54.51 O ATOM 1796 CB LEU A 118 0.298 -5.320 11.442 1.00 72.21 C ATOM 1797 CG LEU A 118 1.355 -5.198 10.357 1.00 43.42 C ATOM 1798 CD1 LEU A 118 1.980 -3.830 10.403 1.00 34.41 C ATOM 1799 CD2 LEU A 118 2.403 -6.279 10.508 1.00 32.41 C ATOM 0 H LEU A 118 -1.577 -4.942 9.672 1.00 51.23 H new ATOM 0 HA LEU A 118 -0.469 -7.305 11.081 1.00 35.24 H new ATOM 0 HB2 LEU A 118 -0.122 -4.334 11.639 1.00 72.21 H new ATOM 0 HB3 LEU A 118 0.775 -5.653 12.364 1.00 72.21 H new ATOM 0 HG LEU A 118 0.880 -5.330 9.385 1.00 43.42 H new ATOM 0 HD11 LEU A 118 2.737 -3.749 9.623 1.00 34.41 H new ATOM 0 HD12 LEU A 118 1.212 -3.073 10.243 1.00 34.41 H new ATOM 0 HD13 LEU A 118 2.445 -3.675 11.377 1.00 34.41 H new ATOM 0 HD21 LEU A 118 3.150 -6.174 9.721 1.00 32.41 H new ATOM 0 HD22 LEU A 118 2.885 -6.185 11.481 1.00 32.41 H new ATOM 0 HD23 LEU A 118 1.930 -7.258 10.430 1.00 32.41 H new ATOM 1811 N LYS A 119 -3.196 -6.103 11.712 1.00 32.24 N ATOM 1812 CA LYS A 119 -4.355 -5.973 12.622 1.00 35.43 C ATOM 1813 C LYS A 119 -4.562 -7.238 13.461 1.00 24.52 C ATOM 1814 O LYS A 119 -5.038 -7.180 14.596 1.00 4.43 O ATOM 1815 CB LYS A 119 -5.639 -5.642 11.836 1.00 15.02 C ATOM 1816 CG LYS A 119 -6.100 -6.715 10.848 1.00 15.12 C ATOM 1817 CD LYS A 119 -7.466 -6.391 10.266 1.00 14.43 C ATOM 1818 CE LYS A 119 -8.582 -6.648 11.276 1.00 24.51 C ATOM 1819 NZ LYS A 119 -8.783 -8.104 11.519 1.00 55.22 N ATOM 0 H LYS A 119 -3.445 -6.108 10.723 1.00 32.24 H new ATOM 0 HA LYS A 119 -4.137 -5.150 13.302 1.00 35.43 H new ATOM 0 HB2 LYS A 119 -6.443 -5.459 12.548 1.00 15.02 H new ATOM 0 HB3 LYS A 119 -5.480 -4.713 11.289 1.00 15.02 H new ATOM 0 HG2 LYS A 119 -5.372 -6.804 10.041 1.00 15.12 H new ATOM 0 HG3 LYS A 119 -6.138 -7.681 11.351 1.00 15.12 H new ATOM 0 HD2 LYS A 119 -7.491 -5.347 9.953 1.00 14.43 H new ATOM 0 HD3 LYS A 119 -7.635 -6.995 9.374 1.00 14.43 H new ATOM 0 HE2 LYS A 119 -8.342 -6.152 12.217 1.00 24.51 H new ATOM 0 HE3 LYS A 119 -9.511 -6.209 10.912 1.00 24.51 H new ATOM 0 HZ1 LYS A 119 -9.682 -8.406 11.092 1.00 55.22 H new ATOM 0 HZ2 LYS A 119 -8.000 -8.639 11.092 1.00 55.22 H new ATOM 0 HZ3 LYS A 119 -8.808 -8.285 12.543 1.00 55.22 H new ATOM 1833 N ASP A 120 -4.201 -8.362 12.874 1.00 14.55 N ATOM 1834 CA ASP A 120 -4.200 -9.646 13.548 1.00 53.10 C ATOM 1835 C ASP A 120 -2.806 -10.252 13.515 1.00 42.10 C ATOM 1836 O ASP A 120 -2.462 -11.051 14.385 1.00 61.12 O ATOM 1837 CB ASP A 120 -5.231 -10.601 12.911 1.00 42.02 C ATOM 1838 CG ASP A 120 -5.329 -10.479 11.394 1.00 4.13 C ATOM 1839 OD1 ASP A 120 -4.387 -10.889 10.680 1.00 53.21 O ATOM 1840 OD2 ASP A 120 -6.356 -9.954 10.915 1.00 2.43 O ATOM 0 H ASP A 120 -3.896 -8.410 11.902 1.00 14.55 H new ATOM 0 HA ASP A 120 -4.487 -9.493 14.588 1.00 53.10 H new ATOM 0 HB2 ASP A 120 -4.968 -11.627 13.167 1.00 42.02 H new ATOM 0 HB3 ASP A 120 -6.211 -10.405 13.346 1.00 42.02 H new ATOM 1845 N ALA A 121 -2.012 -9.826 12.501 1.00 21.32 N ATOM 1846 CA ALA A 121 -0.660 -10.345 12.221 1.00 2.41 C ATOM 1847 C ALA A 121 -0.673 -11.866 12.026 1.00 45.20 C ATOM 1848 O ALA A 121 0.247 -12.576 12.435 1.00 32.22 O ATOM 1849 CB ALA A 121 0.335 -9.920 13.299 1.00 43.43 C ATOM 0 H ALA A 121 -2.303 -9.100 11.847 1.00 21.32 H new ATOM 0 HA ALA A 121 -0.326 -9.903 11.282 1.00 2.41 H new ATOM 0 HB1 ALA A 121 1.321 -10.319 13.062 1.00 43.43 H new ATOM 0 HB2 ALA A 121 0.384 -8.832 13.340 1.00 43.43 H new ATOM 0 HB3 ALA A 121 0.011 -10.305 14.266 1.00 43.43 H new ATOM 1855 N GLU A 122 -1.730 -12.342 11.377 1.00 35.21 N ATOM 1856 CA GLU A 122 -1.894 -13.752 11.036 1.00 41.53 C ATOM 1857 C GLU A 122 -2.250 -13.898 9.553 1.00 63.34 C ATOM 1858 O GLU A 122 -2.731 -14.943 9.108 1.00 32.45 O ATOM 1859 CB GLU A 122 -2.971 -14.400 11.914 1.00 71.12 C ATOM 1860 CG GLU A 122 -2.593 -14.512 13.386 1.00 24.45 C ATOM 1861 CD GLU A 122 -3.631 -15.243 14.209 1.00 45.31 C ATOM 1862 OE1 GLU A 122 -4.553 -14.592 14.739 1.00 72.44 O ATOM 1863 OE2 GLU A 122 -3.523 -16.480 14.338 1.00 21.05 O ATOM 0 H GLU A 122 -2.505 -11.755 11.069 1.00 35.21 H new ATOM 0 HA GLU A 122 -0.951 -14.266 11.221 1.00 41.53 H new ATOM 0 HB2 GLU A 122 -3.890 -13.820 11.830 1.00 71.12 H new ATOM 0 HB3 GLU A 122 -3.187 -15.397 11.529 1.00 71.12 H new ATOM 0 HG2 GLU A 122 -1.638 -15.031 13.472 1.00 24.45 H new ATOM 0 HG3 GLU A 122 -2.451 -13.512 13.796 1.00 24.45 H new ATOM 1870 N LYS A 123 -1.985 -12.842 8.791 1.00 65.31 N ATOM 1871 CA LYS A 123 -2.237 -12.827 7.355 1.00 42.35 C ATOM 1872 C LYS A 123 -1.040 -13.397 6.582 1.00 42.22 C ATOM 1873 O LYS A 123 0.037 -13.597 7.149 1.00 34.22 O ATOM 1874 CB LYS A 123 -2.601 -11.398 6.926 1.00 62.12 C ATOM 1875 CG LYS A 123 -4.064 -11.080 7.212 1.00 34.35 C ATOM 1876 CD LYS A 123 -4.393 -9.594 7.180 1.00 1.10 C ATOM 1877 CE LYS A 123 -5.894 -9.374 7.026 1.00 4.22 C ATOM 1878 NZ LYS A 123 -6.685 -10.121 8.047 1.00 44.31 N ATOM 0 H LYS A 123 -1.590 -11.973 9.151 1.00 65.31 H new ATOM 0 HA LYS A 123 -3.081 -13.474 7.117 1.00 42.35 H new ATOM 0 HB2 LYS A 123 -1.964 -10.687 7.452 1.00 62.12 H new ATOM 0 HB3 LYS A 123 -2.403 -11.276 5.861 1.00 62.12 H new ATOM 0 HG2 LYS A 123 -4.687 -11.595 6.481 1.00 34.35 H new ATOM 0 HG3 LYS A 123 -4.327 -11.479 8.192 1.00 34.35 H new ATOM 0 HD2 LYS A 123 -4.044 -9.120 8.097 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -3.865 -9.118 6.354 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -6.113 -8.309 7.108 1.00 4.22 H new ATOM 0 HE3 LYS A 123 -6.204 -9.687 6.029 1.00 4.22 H new ATOM 0 HZ1 LYS A 123 -7.677 -9.811 8.012 1.00 44.31 H new ATOM 0 HZ2 LYS A 123 -6.633 -11.141 7.848 1.00 44.31 H new ATOM 0 HZ3 LYS A 123 -6.297 -9.932 8.993 1.00 44.31 H new ATOM 1892 N LEU A 124 -1.234 -13.696 5.301 1.00 73.45 N ATOM 1893 CA LEU A 124 -0.214 -14.409 4.536 1.00 15.44 C ATOM 1894 C LEU A 124 0.728 -13.471 3.791 1.00 53.41 C ATOM 1895 O LEU A 124 0.495 -12.262 3.685 1.00 50.24 O ATOM 1896 CB LEU A 124 -0.845 -15.412 3.560 1.00 3.15 C ATOM 1897 CG LEU A 124 -1.570 -16.605 4.201 1.00 52.42 C ATOM 1898 CD1 LEU A 124 -2.129 -17.516 3.121 1.00 53.44 C ATOM 1899 CD2 LEU A 124 -0.634 -17.387 5.116 1.00 11.04 C ATOM 0 H LEU A 124 -2.076 -13.460 4.776 1.00 73.45 H new ATOM 0 HA LEU A 124 0.383 -14.956 5.266 1.00 15.44 H new ATOM 0 HB2 LEU A 124 -1.554 -14.878 2.928 1.00 3.15 H new ATOM 0 HB3 LEU A 124 -0.062 -15.796 2.907 1.00 3.15 H new ATOM 0 HG LEU A 124 -2.392 -16.221 4.805 1.00 52.42 H new ATOM 0 HD11 LEU A 124 -2.641 -18.359 3.585 1.00 53.44 H new ATOM 0 HD12 LEU A 124 -2.833 -16.959 2.504 1.00 53.44 H new ATOM 0 HD13 LEU A 124 -1.314 -17.885 2.498 1.00 53.44 H new ATOM 0 HD21 LEU A 124 -1.173 -18.226 5.557 1.00 11.04 H new ATOM 0 HD22 LEU A 124 0.211 -17.762 4.538 1.00 11.04 H new ATOM 0 HD23 LEU A 124 -0.270 -16.733 5.909 1.00 11.04 H new ATOM 1911 N GLU A 125 1.794 -14.075 3.272 1.00 31.41 N ATOM 1912 CA GLU A 125 2.891 -13.360 2.643 1.00 61.43 C ATOM 1913 C GLU A 125 2.748 -13.319 1.122 1.00 24.12 C ATOM 1914 O GLU A 125 1.721 -13.718 0.566 1.00 64.32 O ATOM 1915 CB GLU A 125 4.217 -14.029 3.042 1.00 32.53 C ATOM 1916 CG GLU A 125 4.285 -15.520 2.739 1.00 44.24 C ATOM 1917 CD GLU A 125 5.567 -16.154 3.226 1.00 23.42 C ATOM 1918 OE1 GLU A 125 6.573 -16.118 2.492 1.00 64.00 O ATOM 1919 OE2 GLU A 125 5.563 -16.704 4.344 1.00 55.04 O ATOM 0 H GLU A 125 1.918 -15.087 3.279 1.00 31.41 H new ATOM 0 HA GLU A 125 2.876 -12.327 2.990 1.00 61.43 H new ATOM 0 HB2 GLU A 125 5.034 -13.527 2.523 1.00 32.53 H new ATOM 0 HB3 GLU A 125 4.379 -13.880 4.110 1.00 32.53 H new ATOM 0 HG2 GLU A 125 3.436 -16.021 3.205 1.00 44.24 H new ATOM 0 HG3 GLU A 125 4.194 -15.673 1.664 1.00 44.24 H new ATOM 1926 N HIS A 126 3.784 -12.806 0.470 1.00 60.15 N ATOM 1927 CA HIS A 126 3.864 -12.763 -0.987 1.00 53.51 C ATOM 1928 C HIS A 126 5.319 -13.026 -1.419 1.00 40.24 C ATOM 1929 O HIS A 126 5.589 -13.425 -2.549 1.00 51.13 O ATOM 1930 CB HIS A 126 3.352 -11.392 -1.491 1.00 15.32 C ATOM 1931 CG HIS A 126 3.227 -11.262 -2.986 1.00 12.25 C ATOM 1932 ND1 HIS A 126 2.203 -11.818 -3.717 1.00 53.22 N ATOM 1933 CD2 HIS A 126 4.028 -10.642 -3.885 1.00 50.34 C ATOM 1934 CE1 HIS A 126 2.383 -11.551 -4.998 1.00 74.22 C ATOM 1935 NE2 HIS A 126 3.483 -10.837 -5.126 1.00 24.53 N ATOM 0 H HIS A 126 4.597 -12.406 0.938 1.00 60.15 H new ATOM 0 HA HIS A 126 3.234 -13.535 -1.429 1.00 53.51 H new ATOM 0 HB2 HIS A 126 2.377 -11.200 -1.043 1.00 15.32 H new ATOM 0 HB3 HIS A 126 4.027 -10.616 -1.130 1.00 15.32 H new ATOM 0 HD1 HIS A 126 1.426 -12.353 -3.330 1.00 53.22 H new ATOM 0 HD2 HIS A 126 4.932 -10.094 -3.664 1.00 50.34 H new ATOM 0 HE1 HIS A 126 1.737 -11.865 -5.805 1.00 74.22 H new ATOM 1944 N HIS A 127 6.242 -12.810 -0.489 1.00 13.21 N ATOM 1945 CA HIS A 127 7.678 -12.924 -0.743 1.00 64.24 C ATOM 1946 C HIS A 127 8.389 -13.336 0.532 1.00 74.54 C ATOM 1947 O HIS A 127 7.815 -13.242 1.608 1.00 22.52 O ATOM 1948 CB HIS A 127 8.302 -11.611 -1.302 1.00 53.20 C ATOM 1949 CG HIS A 127 7.637 -10.317 -0.890 1.00 61.04 C ATOM 1950 ND1 HIS A 127 7.922 -9.632 0.270 1.00 61.43 N ATOM 1951 CD2 HIS A 127 6.683 -9.597 -1.521 1.00 50.10 C ATOM 1952 CE1 HIS A 127 7.162 -8.553 0.334 1.00 31.32 C ATOM 1953 NE2 HIS A 127 6.402 -8.509 -0.739 1.00 12.02 N ATOM 0 H HIS A 127 6.016 -12.549 0.471 1.00 13.21 H new ATOM 0 HA HIS A 127 7.810 -13.686 -1.512 1.00 64.24 H new ATOM 0 HB2 HIS A 127 9.346 -11.571 -0.992 1.00 53.20 H new ATOM 0 HB3 HIS A 127 8.294 -11.667 -2.391 1.00 53.20 H new ATOM 0 HD1 HIS A 127 8.610 -9.913 0.969 1.00 61.43 H new ATOM 0 HD2 HIS A 127 6.226 -9.836 -2.470 1.00 50.10 H new ATOM 0 HE1 HIS A 127 7.164 -7.828 1.134 1.00 31.32 H new ATOM 0 HE2 HIS A 127 5.717 -7.784 -0.953 1.00 12.02 H new ATOM 1962 N HIS A 128 9.627 -13.800 0.401 1.00 31.31 N ATOM 1963 CA HIS A 128 10.439 -14.182 1.554 1.00 64.24 C ATOM 1964 C HIS A 128 11.056 -12.934 2.192 1.00 43.54 C ATOM 1965 O HIS A 128 11.117 -12.822 3.418 1.00 52.32 O ATOM 1966 CB HIS A 128 11.533 -15.189 1.128 1.00 74.21 C ATOM 1967 CG HIS A 128 12.316 -15.800 2.265 1.00 10.54 C ATOM 1968 ND1 HIS A 128 13.679 -16.023 2.213 1.00 44.32 N ATOM 1969 CD2 HIS A 128 11.912 -16.260 3.475 1.00 14.12 C ATOM 1970 CE1 HIS A 128 14.079 -16.586 3.341 1.00 64.21 C ATOM 1971 NE2 HIS A 128 13.027 -16.740 4.122 1.00 11.03 N ATOM 0 H HIS A 128 10.094 -13.922 -0.498 1.00 31.31 H new ATOM 0 HA HIS A 128 9.805 -14.668 2.295 1.00 64.24 H new ATOM 0 HB2 HIS A 128 11.065 -15.991 0.557 1.00 74.21 H new ATOM 0 HB3 HIS A 128 12.229 -14.684 0.458 1.00 74.21 H new ATOM 0 HD2 HIS A 128 10.903 -16.251 3.859 1.00 14.12 H new ATOM 0 HE1 HIS A 128 15.093 -16.871 3.581 1.00 64.21 H new ATOM 0 HE2 HIS A 128 13.039 -17.149 5.056 1.00 11.03 H new ATOM 1980 N HIS A 129 11.516 -12.008 1.351 1.00 5.30 N ATOM 1981 CA HIS A 129 12.122 -10.774 1.831 1.00 43.35 C ATOM 1982 C HIS A 129 11.915 -9.635 0.839 1.00 32.21 C ATOM 1983 O HIS A 129 11.921 -9.845 -0.375 1.00 62.35 O ATOM 1984 CB HIS A 129 13.630 -10.955 2.176 1.00 44.22 C ATOM 1985 CG HIS A 129 14.555 -11.340 1.041 1.00 53.33 C ATOM 1986 ND1 HIS A 129 15.643 -10.582 0.677 1.00 2.21 N ATOM 1987 CD2 HIS A 129 14.577 -12.427 0.229 1.00 51.30 C ATOM 1988 CE1 HIS A 129 16.286 -11.172 -0.310 1.00 72.55 C ATOM 1989 NE2 HIS A 129 15.663 -12.294 -0.602 1.00 74.23 N ATOM 0 H HIS A 129 11.479 -12.092 0.335 1.00 5.30 H new ATOM 0 HA HIS A 129 11.613 -10.509 2.758 1.00 43.35 H new ATOM 0 HB2 HIS A 129 13.993 -10.022 2.607 1.00 44.22 H new ATOM 0 HB3 HIS A 129 13.711 -11.717 2.952 1.00 44.22 H new ATOM 0 HD2 HIS A 129 13.872 -13.245 0.235 1.00 51.30 H new ATOM 0 HE1 HIS A 129 17.174 -10.798 -0.797 1.00 72.55 H new ATOM 0 HE2 HIS A 129 15.941 -12.956 -1.326 1.00 74.23 H new ATOM 1998 N HIS A 130 11.674 -8.453 1.389 1.00 31.23 N ATOM 1999 CA HIS A 130 11.642 -7.211 0.638 1.00 24.24 C ATOM 2000 C HIS A 130 12.503 -6.206 1.387 1.00 24.51 C ATOM 2001 O HIS A 130 12.398 -6.103 2.612 1.00 62.04 O ATOM 2002 CB HIS A 130 10.194 -6.689 0.497 1.00 5.00 C ATOM 2003 CG HIS A 130 10.017 -5.541 -0.467 1.00 52.51 C ATOM 2004 ND1 HIS A 130 9.763 -5.719 -1.808 1.00 12.44 N ATOM 2005 CD2 HIS A 130 10.057 -4.199 -0.274 1.00 52.14 C ATOM 2006 CE1 HIS A 130 9.651 -4.543 -2.398 1.00 72.04 C ATOM 2007 NE2 HIS A 130 9.823 -3.605 -1.489 1.00 30.44 N ATOM 0 H HIS A 130 11.493 -8.331 2.385 1.00 31.23 H new ATOM 0 HA HIS A 130 12.025 -7.368 -0.370 1.00 24.24 H new ATOM 0 HB2 HIS A 130 9.557 -7.513 0.177 1.00 5.00 H new ATOM 0 HB3 HIS A 130 9.840 -6.376 1.479 1.00 5.00 H new ATOM 0 HD2 HIS A 130 10.239 -3.692 0.662 1.00 52.14 H new ATOM 0 HE1 HIS A 130 9.452 -4.378 -3.447 1.00 72.04 H new ATOM 0 HE2 HIS A 130 9.788 -2.600 -1.660 1.00 30.44 H new ATOM 2016 N HIS A 131 13.365 -5.501 0.660 1.00 65.11 N ATOM 2017 CA HIS A 131 14.186 -4.440 1.242 1.00 42.14 C ATOM 2018 C HIS A 131 14.587 -3.435 0.160 1.00 60.33 C ATOM 2019 O HIS A 131 15.002 -3.819 -0.934 1.00 50.12 O ATOM 2020 CB HIS A 131 15.432 -5.027 1.935 1.00 51.40 C ATOM 2021 CG HIS A 131 16.183 -4.044 2.787 1.00 42.41 C ATOM 2022 ND1 HIS A 131 17.536 -3.822 2.667 1.00 2.34 N ATOM 2023 CD2 HIS A 131 15.758 -3.232 3.783 1.00 3.35 C ATOM 2024 CE1 HIS A 131 17.913 -2.916 3.550 1.00 4.11 C ATOM 2025 NE2 HIS A 131 16.851 -2.545 4.237 1.00 53.12 N ATOM 0 H HIS A 131 13.515 -5.645 -0.339 1.00 65.11 H new ATOM 0 HA HIS A 131 13.598 -3.921 1.999 1.00 42.14 H new ATOM 0 HB2 HIS A 131 15.126 -5.869 2.556 1.00 51.40 H new ATOM 0 HB3 HIS A 131 16.106 -5.420 1.174 1.00 51.40 H new ATOM 0 HD2 HIS A 131 14.746 -3.143 4.150 1.00 3.35 H new ATOM 0 HE1 HIS A 131 18.918 -2.543 3.686 1.00 4.11 H new ATOM 0 HE2 HIS A 131 16.845 -1.855 4.988 1.00 53.12 H new TER 2034 HIS A 131