USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN :FLIP amide:sc= -0.124 F(o=-0.67,f=-0.12) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot -147:sc= 1.13 USER MOD Set 2.2: A 69 ASN :FLIP amide:sc= 0.963 F(o=1.5,f=2.1) USER MOD Set 3.1: A 61 TYR OH : rot 120:sc= -0.595 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.15) USER MOD Set 4.1: A 39 ASN : amide:sc= 0.295 K(o=1.2,f=-4.4!) USER MOD Set 4.2: A 40 THR OG1 : rot -66:sc= 0.867 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= -0.0167 (180deg=-0.141) USER MOD Single : A 7 HIS : no HE2:sc= 0.553 K(o=0.55,f=-5.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0.778 (180deg=0.778) USER MOD Single : A 16 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.94) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc=-0.00359 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0385 (180deg=-0.26) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 45 THR OG1 : rot -120:sc= -0.618 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 51 SER OG : rot 0:sc= -3.07! USER MOD Single : A 57 ASN : amide:sc= 0.841 K(o=0.84,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 164:sc= -0.0444 (180deg=-0.337) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 1.04! (180deg=-0.00124) USER MOD Single : A 76 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.66) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.923) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= -0.0394 (180deg=-0.22) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.035) USER MOD Single : A 91 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.611 -0.018 -4.962 1.00 73.21 N ATOM 2 CA MET A 1 2.524 0.250 -3.999 1.00 70.15 C ATOM 3 C MET A 1 2.274 -0.971 -3.125 1.00 11.45 C ATOM 4 O MET A 1 1.711 -1.969 -3.578 1.00 74.23 O ATOM 5 CB MET A 1 1.235 0.622 -4.740 1.00 74.13 C ATOM 6 CG MET A 1 0.076 0.954 -3.813 1.00 34.21 C ATOM 7 SD MET A 1 -1.482 1.198 -4.692 1.00 5.20 S ATOM 8 CE MET A 1 -2.565 1.613 -3.327 1.00 41.24 C ATOM 0 H1 MET A 1 3.769 0.825 -5.551 1.00 73.21 H new ATOM 0 H2 MET A 1 4.484 -0.248 -4.445 1.00 73.21 H new ATOM 0 H3 MET A 1 3.347 -0.820 -5.569 1.00 73.21 H new ATOM 0 HA MET A 1 2.827 1.084 -3.367 1.00 70.15 H new ATOM 0 HB2 MET A 1 1.431 1.479 -5.385 1.00 74.13 H new ATOM 0 HB3 MET A 1 0.946 -0.206 -5.388 1.00 74.13 H new ATOM 0 HG2 MET A 1 -0.044 0.149 -3.088 1.00 34.21 H new ATOM 0 HG3 MET A 1 0.315 1.857 -3.250 1.00 34.21 H new ATOM 0 HE1 MET A 1 -3.572 1.794 -3.703 1.00 41.24 H new ATOM 0 HE2 MET A 1 -2.587 0.787 -2.616 1.00 41.24 H new ATOM 0 HE3 MET A 1 -2.196 2.510 -2.830 1.00 41.24 H new ATOM 18 N LYS A 2 2.710 -0.902 -1.877 1.00 23.20 N ATOM 19 CA LYS A 2 2.443 -1.971 -0.934 1.00 43.44 C ATOM 20 C LYS A 2 1.132 -1.694 -0.219 1.00 53.31 C ATOM 21 O LYS A 2 0.707 -0.543 -0.115 1.00 0.41 O ATOM 22 CB LYS A 2 3.606 -2.143 0.062 1.00 23.44 C ATOM 23 CG LYS A 2 3.882 -0.939 0.964 1.00 62.44 C ATOM 24 CD LYS A 2 2.984 -0.915 2.200 1.00 51.52 C ATOM 25 CE LYS A 2 3.199 -2.137 3.084 1.00 62.22 C ATOM 26 NZ LYS A 2 4.596 -2.230 3.583 1.00 33.14 N ATOM 0 H LYS A 2 3.246 -0.122 -1.498 1.00 23.20 H new ATOM 0 HA LYS A 2 2.355 -2.912 -1.478 1.00 43.44 H new ATOM 0 HB2 LYS A 2 3.397 -3.007 0.692 1.00 23.44 H new ATOM 0 HB3 LYS A 2 4.512 -2.370 -0.500 1.00 23.44 H new ATOM 0 HG2 LYS A 2 4.926 -0.956 1.278 1.00 62.44 H new ATOM 0 HG3 LYS A 2 3.735 -0.021 0.394 1.00 62.44 H new ATOM 0 HD2 LYS A 2 3.183 -0.011 2.776 1.00 51.52 H new ATOM 0 HD3 LYS A 2 1.940 -0.871 1.889 1.00 51.52 H new ATOM 0 HE2 LYS A 2 2.514 -2.095 3.931 1.00 62.22 H new ATOM 0 HE3 LYS A 2 2.955 -3.038 2.521 1.00 62.22 H new ATOM 0 HZ1 LYS A 2 4.653 -2.960 4.321 1.00 33.14 H new ATOM 0 HZ2 LYS A 2 5.229 -2.482 2.797 1.00 33.14 H new ATOM 0 HZ3 LYS A 2 4.885 -1.313 3.980 1.00 33.14 H new ATOM 40 N GLY A 3 0.489 -2.740 0.256 1.00 51.12 N ATOM 41 CA GLY A 3 -0.779 -2.574 0.922 1.00 24.54 C ATOM 42 C GLY A 3 -1.825 -3.508 0.366 1.00 32.12 C ATOM 43 O GLY A 3 -2.872 -3.071 -0.124 1.00 62.50 O ATOM 0 H GLY A 3 0.821 -3.702 0.193 1.00 51.12 H new ATOM 0 HA2 GLY A 3 -0.657 -2.758 1.989 1.00 24.54 H new ATOM 0 HA3 GLY A 3 -1.116 -1.543 0.813 1.00 24.54 H new ATOM 47 N ASP A 4 -1.532 -4.799 0.424 1.00 22.21 N ATOM 48 CA ASP A 4 -2.472 -5.818 -0.007 1.00 11.25 C ATOM 49 C ASP A 4 -3.570 -5.984 1.031 1.00 60.20 C ATOM 50 O ASP A 4 -3.602 -6.944 1.803 1.00 42.15 O ATOM 51 CB ASP A 4 -1.767 -7.147 -0.281 1.00 55.35 C ATOM 52 CG ASP A 4 -0.818 -7.562 0.829 1.00 44.34 C ATOM 53 OD1 ASP A 4 0.153 -6.823 1.094 1.00 21.24 O ATOM 54 OD2 ASP A 4 -1.030 -8.630 1.436 1.00 75.42 O ATOM 0 H ASP A 4 -0.644 -5.165 0.768 1.00 22.21 H new ATOM 0 HA ASP A 4 -2.924 -5.494 -0.944 1.00 11.25 H new ATOM 0 HB2 ASP A 4 -2.516 -7.926 -0.419 1.00 55.35 H new ATOM 0 HB3 ASP A 4 -1.211 -7.070 -1.215 1.00 55.35 H new ATOM 59 N ILE A 5 -4.451 -5.001 1.047 1.00 71.15 N ATOM 60 CA ILE A 5 -5.563 -4.949 1.972 1.00 34.34 C ATOM 61 C ILE A 5 -6.485 -6.149 1.765 1.00 52.22 C ATOM 62 O ILE A 5 -7.145 -6.617 2.694 1.00 21.12 O ATOM 63 CB ILE A 5 -6.341 -3.625 1.769 1.00 0.32 C ATOM 64 CG1 ILE A 5 -6.583 -2.923 3.108 1.00 44.11 C ATOM 65 CG2 ILE A 5 -7.652 -3.852 1.023 1.00 24.13 C ATOM 66 CD1 ILE A 5 -7.351 -3.747 4.112 1.00 54.33 C ATOM 0 H ILE A 5 -4.412 -4.207 0.408 1.00 71.15 H new ATOM 0 HA ILE A 5 -5.182 -4.986 2.993 1.00 34.34 H new ATOM 0 HB ILE A 5 -5.724 -2.973 1.151 1.00 0.32 H new ATOM 0 HG12 ILE A 5 -5.621 -2.649 3.540 1.00 44.11 H new ATOM 0 HG13 ILE A 5 -7.126 -1.996 2.926 1.00 44.11 H new ATOM 0 HG21 ILE A 5 -8.170 -2.901 0.899 1.00 24.13 H new ATOM 0 HG22 ILE A 5 -7.443 -4.282 0.043 1.00 24.13 H new ATOM 0 HG23 ILE A 5 -8.281 -4.536 1.593 1.00 24.13 H new ATOM 0 HD11 ILE A 5 -7.478 -3.175 5.031 1.00 54.33 H new ATOM 0 HD12 ILE A 5 -8.330 -3.999 3.703 1.00 54.33 H new ATOM 0 HD13 ILE A 5 -6.801 -4.663 4.328 1.00 54.33 H new ATOM 78 N GLU A 6 -6.493 -6.653 0.538 1.00 52.51 N ATOM 79 CA GLU A 6 -7.359 -7.750 0.160 1.00 42.33 C ATOM 80 C GLU A 6 -6.978 -9.001 0.928 1.00 61.42 C ATOM 81 O GLU A 6 -7.837 -9.772 1.337 1.00 0.55 O ATOM 82 CB GLU A 6 -7.283 -8.011 -1.347 1.00 15.13 C ATOM 83 CG GLU A 6 -7.679 -6.816 -2.207 1.00 63.14 C ATOM 84 CD GLU A 6 -6.626 -5.716 -2.233 1.00 71.50 C ATOM 85 OE1 GLU A 6 -5.475 -5.966 -1.813 1.00 3.51 O ATOM 86 OE2 GLU A 6 -6.936 -4.595 -2.679 1.00 41.24 O ATOM 0 H GLU A 6 -5.899 -6.311 -0.218 1.00 52.51 H new ATOM 0 HA GLU A 6 -8.385 -7.479 0.407 1.00 42.33 H new ATOM 0 HB2 GLU A 6 -6.266 -8.308 -1.603 1.00 15.13 H new ATOM 0 HB3 GLU A 6 -7.931 -8.852 -1.592 1.00 15.13 H new ATOM 0 HG2 GLU A 6 -7.864 -7.156 -3.226 1.00 63.14 H new ATOM 0 HG3 GLU A 6 -8.616 -6.403 -1.834 1.00 63.14 H new ATOM 93 N HIS A 7 -5.686 -9.193 1.146 1.00 34.01 N ATOM 94 CA HIS A 7 -5.233 -10.315 1.946 1.00 32.44 C ATOM 95 C HIS A 7 -5.651 -10.123 3.392 1.00 41.44 C ATOM 96 O HIS A 7 -6.139 -11.054 4.021 1.00 30.44 O ATOM 97 CB HIS A 7 -3.718 -10.498 1.854 1.00 42.21 C ATOM 98 CG HIS A 7 -3.251 -10.992 0.520 1.00 43.10 C ATOM 99 ND1 HIS A 7 -2.171 -10.473 -0.154 1.00 62.21 N ATOM 100 CD2 HIS A 7 -3.735 -11.989 -0.260 1.00 74.34 C ATOM 101 CE1 HIS A 7 -2.030 -11.151 -1.299 1.00 12.51 C ATOM 102 NE2 HIS A 7 -2.959 -12.084 -1.412 1.00 31.44 N ATOM 0 H HIS A 7 -4.943 -8.594 0.785 1.00 34.01 H new ATOM 0 HA HIS A 7 -5.699 -11.218 1.551 1.00 32.44 H new ATOM 0 HB2 HIS A 7 -3.232 -9.546 2.069 1.00 42.21 H new ATOM 0 HB3 HIS A 7 -3.398 -11.200 2.624 1.00 42.21 H new ATOM 0 HD1 HIS A 7 -1.580 -9.705 0.164 1.00 62.21 H new ATOM 0 HD2 HIS A 7 -4.587 -12.610 -0.025 1.00 74.34 H new ATOM 0 HE1 HIS A 7 -1.260 -10.961 -2.032 1.00 12.51 H new ATOM 110 N LYS A 8 -5.499 -8.898 3.896 1.00 53.43 N ATOM 111 CA LYS A 8 -5.816 -8.595 5.291 1.00 43.45 C ATOM 112 C LYS A 8 -7.275 -8.914 5.591 1.00 64.34 C ATOM 113 O LYS A 8 -7.585 -9.581 6.578 1.00 12.20 O ATOM 114 CB LYS A 8 -5.566 -7.118 5.617 1.00 55.53 C ATOM 115 CG LYS A 8 -4.304 -6.532 5.008 1.00 52.03 C ATOM 116 CD LYS A 8 -3.056 -7.313 5.382 1.00 40.12 C ATOM 117 CE LYS A 8 -1.808 -6.612 4.869 1.00 41.22 C ATOM 118 NZ LYS A 8 -0.576 -7.402 5.122 1.00 23.21 N ATOM 0 H LYS A 8 -5.159 -8.100 3.359 1.00 53.43 H new ATOM 0 HA LYS A 8 -5.163 -9.213 5.907 1.00 43.45 H new ATOM 0 HB2 LYS A 8 -6.421 -6.536 5.274 1.00 55.53 H new ATOM 0 HB3 LYS A 8 -5.516 -7.004 6.700 1.00 55.53 H new ATOM 0 HG2 LYS A 8 -4.404 -6.513 3.923 1.00 52.03 H new ATOM 0 HG3 LYS A 8 -4.193 -5.499 5.336 1.00 52.03 H new ATOM 0 HD2 LYS A 8 -2.999 -7.420 6.465 1.00 40.12 H new ATOM 0 HD3 LYS A 8 -3.112 -8.318 4.965 1.00 40.12 H new ATOM 0 HE2 LYS A 8 -1.909 -6.432 3.799 1.00 41.22 H new ATOM 0 HE3 LYS A 8 -1.718 -5.638 5.349 1.00 41.22 H new ATOM 0 HZ1 LYS A 8 0.249 -6.885 4.756 1.00 23.21 H new ATOM 0 HZ2 LYS A 8 -0.464 -7.552 6.145 1.00 23.21 H new ATOM 0 HZ3 LYS A 8 -0.649 -8.322 4.643 1.00 23.21 H new ATOM 132 N VAL A 9 -8.164 -8.434 4.727 1.00 41.33 N ATOM 133 CA VAL A 9 -9.592 -8.627 4.921 1.00 60.11 C ATOM 134 C VAL A 9 -9.964 -10.102 4.817 1.00 51.10 C ATOM 135 O VAL A 9 -10.830 -10.580 5.545 1.00 32.22 O ATOM 136 CB VAL A 9 -10.422 -7.777 3.927 1.00 34.01 C ATOM 137 CG1 VAL A 9 -10.134 -8.152 2.485 1.00 70.42 C ATOM 138 CG2 VAL A 9 -11.909 -7.893 4.217 1.00 15.03 C ATOM 0 H VAL A 9 -7.918 -7.909 3.887 1.00 41.33 H new ATOM 0 HA VAL A 9 -9.834 -8.286 5.928 1.00 60.11 H new ATOM 0 HB VAL A 9 -10.121 -6.739 4.067 1.00 34.01 H new ATOM 0 HG11 VAL A 9 -10.736 -7.532 1.821 1.00 70.42 H new ATOM 0 HG12 VAL A 9 -9.077 -7.992 2.271 1.00 70.42 H new ATOM 0 HG13 VAL A 9 -10.381 -9.202 2.326 1.00 70.42 H new ATOM 0 HG21 VAL A 9 -12.467 -7.286 3.504 1.00 15.03 H new ATOM 0 HG22 VAL A 9 -12.217 -8.935 4.126 1.00 15.03 H new ATOM 0 HG23 VAL A 9 -12.111 -7.542 5.229 1.00 15.03 H new ATOM 148 N TYR A 10 -9.286 -10.839 3.943 1.00 74.21 N ATOM 149 CA TYR A 10 -9.540 -12.268 3.822 1.00 3.23 C ATOM 150 C TYR A 10 -9.032 -12.989 5.065 1.00 64.35 C ATOM 151 O TYR A 10 -9.632 -13.956 5.510 1.00 1.24 O ATOM 152 CB TYR A 10 -8.873 -12.866 2.574 1.00 33.42 C ATOM 153 CG TYR A 10 -9.340 -12.282 1.253 1.00 15.05 C ATOM 154 CD1 TYR A 10 -10.458 -11.464 1.180 1.00 63.43 C ATOM 155 CD2 TYR A 10 -8.651 -12.550 0.075 1.00 45.42 C ATOM 156 CE1 TYR A 10 -10.879 -10.930 -0.021 1.00 74.42 C ATOM 157 CE2 TYR A 10 -9.065 -12.017 -1.132 1.00 72.25 C ATOM 158 CZ TYR A 10 -10.181 -11.209 -1.173 1.00 62.13 C ATOM 159 OH TYR A 10 -10.599 -10.671 -2.369 1.00 53.45 O ATOM 0 H TYR A 10 -8.567 -10.476 3.317 1.00 74.21 H new ATOM 0 HA TYR A 10 -10.617 -12.404 3.723 1.00 3.23 H new ATOM 0 HB2 TYR A 10 -7.795 -12.726 2.655 1.00 33.42 H new ATOM 0 HB3 TYR A 10 -9.055 -13.941 2.563 1.00 33.42 H new ATOM 0 HD1 TYR A 10 -11.010 -11.241 2.081 1.00 63.43 H new ATOM 0 HD2 TYR A 10 -7.778 -13.185 0.103 1.00 45.42 H new ATOM 0 HE1 TYR A 10 -11.753 -10.296 -0.056 1.00 74.42 H new ATOM 0 HE2 TYR A 10 -8.517 -12.233 -2.037 1.00 72.25 H new ATOM 0 HH TYR A 10 -9.999 -10.963 -3.087 1.00 53.45 H new ATOM 169 N GLN A 11 -7.942 -12.472 5.636 1.00 44.11 N ATOM 170 CA GLN A 11 -7.270 -13.110 6.774 1.00 61.04 C ATOM 171 C GLN A 11 -8.219 -13.323 7.943 1.00 44.10 C ATOM 172 O GLN A 11 -8.461 -14.457 8.370 1.00 63.21 O ATOM 173 CB GLN A 11 -6.078 -12.271 7.254 1.00 52.01 C ATOM 174 CG GLN A 11 -4.884 -12.271 6.312 1.00 33.44 C ATOM 175 CD GLN A 11 -4.340 -13.656 6.041 1.00 22.31 C ATOM 176 OE1 GLN A 11 -3.467 -14.146 6.763 1.00 13.01 O ATOM 177 NE2 GLN A 11 -4.838 -14.285 4.990 1.00 22.11 N ATOM 0 H GLN A 11 -7.501 -11.606 5.327 1.00 44.11 H new ATOM 0 HA GLN A 11 -6.918 -14.080 6.421 1.00 61.04 H new ATOM 0 HB2 GLN A 11 -6.409 -11.243 7.400 1.00 52.01 H new ATOM 0 HB3 GLN A 11 -5.757 -12.643 8.227 1.00 52.01 H new ATOM 0 HG2 GLN A 11 -5.174 -11.810 5.368 1.00 33.44 H new ATOM 0 HG3 GLN A 11 -4.093 -11.654 6.738 1.00 33.44 H new ATOM 0 HE21 GLN A 11 -5.559 -13.839 4.423 1.00 22.11 H new ATOM 0 HE22 GLN A 11 -4.501 -15.216 4.746 1.00 22.11 H new ATOM 186 N LEU A 12 -8.762 -12.227 8.440 1.00 21.22 N ATOM 187 CA LEU A 12 -9.561 -12.246 9.655 1.00 34.12 C ATOM 188 C LEU A 12 -10.997 -12.661 9.388 1.00 50.12 C ATOM 189 O LEU A 12 -11.601 -13.355 10.194 1.00 4.43 O ATOM 190 CB LEU A 12 -9.502 -10.884 10.359 1.00 44.31 C ATOM 191 CG LEU A 12 -9.192 -9.666 9.476 1.00 65.44 C ATOM 192 CD1 LEU A 12 -10.398 -9.271 8.639 1.00 60.51 C ATOM 193 CD2 LEU A 12 -8.734 -8.499 10.336 1.00 12.41 C ATOM 0 H LEU A 12 -8.664 -11.304 8.018 1.00 21.22 H new ATOM 0 HA LEU A 12 -9.132 -12.998 10.317 1.00 34.12 H new ATOM 0 HB2 LEU A 12 -10.459 -10.713 10.851 1.00 44.31 H new ATOM 0 HB3 LEU A 12 -8.746 -10.938 11.142 1.00 44.31 H new ATOM 0 HG LEU A 12 -8.388 -9.938 8.792 1.00 65.44 H new ATOM 0 HD11 LEU A 12 -10.147 -8.406 8.025 1.00 60.51 H new ATOM 0 HD12 LEU A 12 -10.682 -10.103 7.995 1.00 60.51 H new ATOM 0 HD13 LEU A 12 -11.231 -9.020 9.296 1.00 60.51 H new ATOM 0 HD21 LEU A 12 -8.517 -7.641 9.700 1.00 12.41 H new ATOM 0 HD22 LEU A 12 -9.521 -8.237 11.043 1.00 12.41 H new ATOM 0 HD23 LEU A 12 -7.835 -8.781 10.883 1.00 12.41 H new ATOM 205 N LEU A 13 -11.538 -12.261 8.255 1.00 14.44 N ATOM 206 CA LEU A 13 -12.918 -12.599 7.931 1.00 72.12 C ATOM 207 C LEU A 13 -13.115 -14.097 7.796 1.00 70.20 C ATOM 208 O LEU A 13 -14.056 -14.651 8.359 1.00 55.32 O ATOM 209 CB LEU A 13 -13.379 -11.895 6.664 1.00 34.12 C ATOM 210 CG LEU A 13 -13.583 -10.396 6.812 1.00 72.02 C ATOM 211 CD1 LEU A 13 -14.283 -9.845 5.585 1.00 52.55 C ATOM 212 CD2 LEU A 13 -14.375 -10.097 8.072 1.00 3.31 C ATOM 0 H LEU A 13 -11.054 -11.708 7.548 1.00 14.44 H new ATOM 0 HA LEU A 13 -13.530 -12.251 8.763 1.00 72.12 H new ATOM 0 HB2 LEU A 13 -12.645 -12.073 5.878 1.00 34.12 H new ATOM 0 HB3 LEU A 13 -14.315 -12.345 6.334 1.00 34.12 H new ATOM 0 HG LEU A 13 -12.612 -9.909 6.900 1.00 72.02 H new ATOM 0 HD11 LEU A 13 -14.425 -8.770 5.699 1.00 52.55 H new ATOM 0 HD12 LEU A 13 -13.675 -10.039 4.701 1.00 52.55 H new ATOM 0 HD13 LEU A 13 -15.253 -10.329 5.471 1.00 52.55 H new ATOM 0 HD21 LEU A 13 -14.515 -9.020 8.167 1.00 3.31 H new ATOM 0 HD22 LEU A 13 -15.348 -10.585 8.015 1.00 3.31 H new ATOM 0 HD23 LEU A 13 -13.832 -10.470 8.940 1.00 3.31 H new ATOM 224 N LYS A 14 -12.231 -14.753 7.059 1.00 22.22 N ATOM 225 CA LYS A 14 -12.309 -16.202 6.897 1.00 43.43 C ATOM 226 C LYS A 14 -12.067 -16.891 8.242 1.00 2.43 C ATOM 227 O LYS A 14 -12.521 -18.011 8.476 1.00 32.30 O ATOM 228 CB LYS A 14 -11.306 -16.674 5.829 1.00 22.44 C ATOM 229 CG LYS A 14 -9.849 -16.727 6.288 1.00 34.11 C ATOM 230 CD LYS A 14 -9.473 -18.084 6.864 1.00 3.41 C ATOM 231 CE LYS A 14 -8.006 -18.134 7.267 1.00 1.04 C ATOM 232 NZ LYS A 14 -7.715 -17.281 8.453 1.00 52.24 N ATOM 0 H LYS A 14 -11.455 -14.311 6.566 1.00 22.22 H new ATOM 0 HA LYS A 14 -13.307 -16.474 6.555 1.00 43.43 H new ATOM 0 HB2 LYS A 14 -11.600 -17.667 5.490 1.00 22.44 H new ATOM 0 HB3 LYS A 14 -11.376 -16.009 4.968 1.00 22.44 H new ATOM 0 HG2 LYS A 14 -9.197 -16.499 5.445 1.00 34.11 H new ATOM 0 HG3 LYS A 14 -9.679 -15.956 7.040 1.00 34.11 H new ATOM 0 HD2 LYS A 14 -10.097 -18.297 7.732 1.00 3.41 H new ATOM 0 HD3 LYS A 14 -9.675 -18.861 6.127 1.00 3.41 H new ATOM 0 HE2 LYS A 14 -7.727 -19.165 7.486 1.00 1.04 H new ATOM 0 HE3 LYS A 14 -7.390 -17.809 6.429 1.00 1.04 H new ATOM 0 HZ1 LYS A 14 -6.708 -17.361 8.699 1.00 52.24 H new ATOM 0 HZ2 LYS A 14 -7.940 -16.290 8.231 1.00 52.24 H new ATOM 0 HZ3 LYS A 14 -8.294 -17.596 9.257 1.00 52.24 H new ATOM 246 N ASP A 15 -11.365 -16.189 9.127 1.00 14.53 N ATOM 247 CA ASP A 15 -11.077 -16.681 10.470 1.00 51.43 C ATOM 248 C ASP A 15 -12.326 -16.639 11.338 1.00 31.41 C ATOM 249 O ASP A 15 -12.650 -17.608 12.027 1.00 3.12 O ATOM 250 CB ASP A 15 -9.975 -15.835 11.105 1.00 14.34 C ATOM 251 CG ASP A 15 -9.666 -16.241 12.530 1.00 62.03 C ATOM 252 OD1 ASP A 15 -9.157 -17.358 12.734 1.00 30.14 O ATOM 253 OD2 ASP A 15 -9.919 -15.434 13.450 1.00 71.20 O ATOM 0 H ASP A 15 -10.980 -15.264 8.933 1.00 14.53 H new ATOM 0 HA ASP A 15 -10.743 -17.716 10.396 1.00 51.43 H new ATOM 0 HB2 ASP A 15 -9.069 -15.918 10.505 1.00 14.34 H new ATOM 0 HB3 ASP A 15 -10.274 -14.787 11.088 1.00 14.34 H new ATOM 258 N GLN A 16 -13.026 -15.513 11.286 1.00 21.14 N ATOM 259 CA GLN A 16 -14.269 -15.345 12.037 1.00 20.34 C ATOM 260 C GLN A 16 -15.323 -16.301 11.516 1.00 13.13 C ATOM 261 O GLN A 16 -16.161 -16.798 12.263 1.00 55.12 O ATOM 262 CB GLN A 16 -14.803 -13.916 11.923 1.00 42.23 C ATOM 263 CG GLN A 16 -13.768 -12.849 12.149 1.00 55.20 C ATOM 264 CD GLN A 16 -14.272 -11.753 13.059 1.00 4.41 C ATOM 265 OE1 GLN A 16 -15.045 -11.993 13.985 1.00 23.20 O ATOM 266 NE2 GLN A 16 -13.880 -10.537 12.757 1.00 5.31 N ATOM 0 H GLN A 16 -12.756 -14.700 10.732 1.00 21.14 H new ATOM 0 HA GLN A 16 -14.051 -15.557 13.084 1.00 20.34 H new ATOM 0 HB2 GLN A 16 -15.237 -13.781 10.932 1.00 42.23 H new ATOM 0 HB3 GLN A 16 -15.609 -13.783 12.645 1.00 42.23 H new ATOM 0 HG2 GLN A 16 -12.874 -13.297 12.583 1.00 55.20 H new ATOM 0 HG3 GLN A 16 -13.476 -12.419 11.191 1.00 55.20 H new ATOM 0 HE21 GLN A 16 -13.237 -10.387 11.979 1.00 5.31 H new ATOM 0 HE22 GLN A 16 -14.218 -9.743 13.300 1.00 5.31 H new ATOM 275 N GLY A 17 -15.269 -16.549 10.222 1.00 65.04 N ATOM 276 CA GLY A 17 -16.227 -17.426 9.602 1.00 53.43 C ATOM 277 C GLY A 17 -17.000 -16.735 8.508 1.00 54.30 C ATOM 278 O GLY A 17 -18.201 -16.955 8.343 1.00 54.55 O ATOM 0 H GLY A 17 -14.574 -16.155 9.588 1.00 65.04 H new ATOM 0 HA2 GLY A 17 -15.711 -18.293 9.189 1.00 53.43 H new ATOM 0 HA3 GLY A 17 -16.920 -17.797 10.357 1.00 53.43 H new ATOM 282 N CYS A 18 -16.333 -15.858 7.778 1.00 54.10 N ATOM 283 CA CYS A 18 -16.958 -15.233 6.627 1.00 43.02 C ATOM 284 C CYS A 18 -16.335 -15.739 5.332 1.00 74.31 C ATOM 285 O CYS A 18 -15.142 -16.023 5.279 1.00 62.55 O ATOM 286 CB CYS A 18 -16.849 -13.711 6.689 1.00 54.41 C ATOM 287 SG CYS A 18 -18.163 -12.884 5.738 1.00 65.23 S ATOM 0 H CYS A 18 -15.372 -15.566 7.958 1.00 54.10 H new ATOM 0 HA CYS A 18 -18.014 -15.504 6.646 1.00 43.02 H new ATOM 0 HB2 CYS A 18 -16.898 -13.388 7.729 1.00 54.41 H new ATOM 0 HB3 CYS A 18 -15.877 -13.403 6.305 1.00 54.41 H new ATOM 292 N GLU A 19 -17.161 -15.855 4.298 1.00 30.31 N ATOM 293 CA GLU A 19 -16.704 -16.265 2.975 1.00 24.23 C ATOM 294 C GLU A 19 -17.292 -15.341 1.905 1.00 70.01 C ATOM 295 O GLU A 19 -16.922 -15.396 0.732 1.00 44.11 O ATOM 296 CB GLU A 19 -17.123 -17.717 2.735 1.00 2.20 C ATOM 297 CG GLU A 19 -16.799 -18.252 1.353 1.00 4.14 C ATOM 298 CD GLU A 19 -17.104 -19.729 1.233 1.00 2.14 C ATOM 299 OE1 GLU A 19 -18.290 -20.085 1.076 1.00 44.20 O ATOM 300 OE2 GLU A 19 -16.163 -20.544 1.333 1.00 41.24 O ATOM 0 H GLU A 19 -18.162 -15.668 4.353 1.00 30.31 H new ATOM 0 HA GLU A 19 -15.618 -16.193 2.917 1.00 24.23 H new ATOM 0 HB2 GLU A 19 -16.635 -18.349 3.477 1.00 2.20 H new ATOM 0 HB3 GLU A 19 -18.197 -17.803 2.900 1.00 2.20 H new ATOM 0 HG2 GLU A 19 -17.372 -17.701 0.607 1.00 4.14 H new ATOM 0 HG3 GLU A 19 -15.745 -18.080 1.135 1.00 4.14 H new ATOM 307 N ASP A 20 -18.169 -14.449 2.338 1.00 61.10 N ATOM 308 CA ASP A 20 -18.919 -13.609 1.421 1.00 23.44 C ATOM 309 C ASP A 20 -18.386 -12.184 1.450 1.00 42.20 C ATOM 310 O ASP A 20 -18.820 -11.355 2.259 1.00 23.33 O ATOM 311 CB ASP A 20 -20.402 -13.619 1.785 1.00 52.11 C ATOM 312 CG ASP A 20 -21.263 -12.947 0.733 1.00 64.51 C ATOM 313 OD1 ASP A 20 -21.362 -11.708 0.739 1.00 41.14 O ATOM 314 OD2 ASP A 20 -21.838 -13.663 -0.114 1.00 4.44 O ATOM 0 H ASP A 20 -18.379 -14.289 3.323 1.00 61.10 H new ATOM 0 HA ASP A 20 -18.801 -14.007 0.413 1.00 23.44 H new ATOM 0 HB2 ASP A 20 -20.733 -14.649 1.917 1.00 52.11 H new ATOM 0 HB3 ASP A 20 -20.542 -13.114 2.741 1.00 52.11 H new ATOM 319 N PHE A 21 -17.397 -11.938 0.610 1.00 23.44 N ATOM 320 CA PHE A 21 -16.784 -10.619 0.482 1.00 5.44 C ATOM 321 C PHE A 21 -15.888 -10.566 -0.753 1.00 32.35 C ATOM 322 O PHE A 21 -15.284 -11.572 -1.136 1.00 61.03 O ATOM 323 CB PHE A 21 -15.985 -10.256 1.747 1.00 72.32 C ATOM 324 CG PHE A 21 -15.153 -11.379 2.316 1.00 53.34 C ATOM 325 CD1 PHE A 21 -13.863 -11.613 1.872 1.00 51.32 C ATOM 326 CD2 PHE A 21 -15.665 -12.194 3.311 1.00 3.22 C ATOM 327 CE1 PHE A 21 -13.105 -12.634 2.411 1.00 62.44 C ATOM 328 CE2 PHE A 21 -14.914 -13.215 3.847 1.00 31.21 C ATOM 329 CZ PHE A 21 -13.631 -13.437 3.397 1.00 24.00 C ATOM 0 H PHE A 21 -16.993 -12.644 -0.005 1.00 23.44 H new ATOM 0 HA PHE A 21 -17.581 -9.884 0.365 1.00 5.44 H new ATOM 0 HB2 PHE A 21 -15.328 -9.417 1.516 1.00 72.32 H new ATOM 0 HB3 PHE A 21 -16.681 -9.914 2.513 1.00 72.32 H new ATOM 0 HD1 PHE A 21 -13.444 -10.990 1.095 1.00 51.32 H new ATOM 0 HD2 PHE A 21 -16.669 -12.026 3.672 1.00 3.22 H new ATOM 0 HE1 PHE A 21 -12.098 -12.802 2.058 1.00 62.44 H new ATOM 0 HE2 PHE A 21 -15.331 -13.843 4.621 1.00 31.21 H new ATOM 0 HZ PHE A 21 -13.040 -14.238 3.816 1.00 24.00 H new ATOM 339 N GLY A 22 -15.814 -9.397 -1.373 1.00 44.03 N ATOM 340 CA GLY A 22 -15.016 -9.233 -2.572 1.00 63.24 C ATOM 341 C GLY A 22 -14.853 -7.777 -2.940 1.00 32.45 C ATOM 342 O GLY A 22 -15.235 -6.898 -2.174 1.00 43.40 O ATOM 0 H GLY A 22 -16.296 -8.553 -1.064 1.00 44.03 H new ATOM 0 HA2 GLY A 22 -14.034 -9.682 -2.420 1.00 63.24 H new ATOM 0 HA3 GLY A 22 -15.486 -9.767 -3.398 1.00 63.24 H new ATOM 346 N THR A 23 -14.288 -7.516 -4.105 1.00 23.02 N ATOM 347 CA THR A 23 -14.059 -6.151 -4.554 1.00 23.11 C ATOM 348 C THR A 23 -14.665 -5.919 -5.932 1.00 54.13 C ATOM 349 O THR A 23 -14.720 -6.836 -6.754 1.00 64.02 O ATOM 350 CB THR A 23 -12.551 -5.830 -4.610 1.00 74.42 C ATOM 351 OG1 THR A 23 -11.842 -6.883 -5.282 1.00 3.51 O ATOM 352 CG2 THR A 23 -11.979 -5.642 -3.217 1.00 20.30 C ATOM 0 H THR A 23 -13.978 -8.233 -4.761 1.00 23.02 H new ATOM 0 HA THR A 23 -14.541 -5.492 -3.832 1.00 23.11 H new ATOM 0 HB THR A 23 -12.429 -4.899 -5.164 1.00 74.42 H new ATOM 0 HG1 THR A 23 -10.887 -6.667 -5.312 1.00 3.51 H new ATOM 0 HG21 THR A 23 -10.915 -5.417 -3.288 1.00 20.30 H new ATOM 0 HG22 THR A 23 -12.492 -4.818 -2.721 1.00 20.30 H new ATOM 0 HG23 THR A 23 -12.119 -6.556 -2.640 1.00 20.30 H new ATOM 360 N LYS A 24 -15.136 -4.704 -6.181 1.00 15.51 N ATOM 361 CA LYS A 24 -15.600 -4.339 -7.511 1.00 23.21 C ATOM 362 C LYS A 24 -14.679 -3.281 -8.111 1.00 33.21 C ATOM 363 O LYS A 24 -14.245 -2.352 -7.424 1.00 24.11 O ATOM 364 CB LYS A 24 -17.057 -3.830 -7.497 1.00 51.53 C ATOM 365 CG LYS A 24 -17.228 -2.405 -6.981 1.00 30.42 C ATOM 366 CD LYS A 24 -18.553 -1.804 -7.431 1.00 12.14 C ATOM 367 CE LYS A 24 -18.609 -0.305 -7.175 1.00 11.32 C ATOM 368 NZ LYS A 24 -19.870 0.304 -7.683 1.00 51.00 N ATOM 0 H LYS A 24 -15.206 -3.961 -5.486 1.00 15.51 H new ATOM 0 HA LYS A 24 -15.575 -5.238 -8.127 1.00 23.21 H new ATOM 0 HB2 LYS A 24 -17.457 -3.886 -8.509 1.00 51.53 H new ATOM 0 HB3 LYS A 24 -17.656 -4.500 -6.880 1.00 51.53 H new ATOM 0 HG2 LYS A 24 -17.177 -2.403 -5.892 1.00 30.42 H new ATOM 0 HG3 LYS A 24 -16.406 -1.786 -7.340 1.00 30.42 H new ATOM 0 HD2 LYS A 24 -18.697 -1.997 -8.494 1.00 12.14 H new ATOM 0 HD3 LYS A 24 -19.372 -2.294 -6.904 1.00 12.14 H new ATOM 0 HE2 LYS A 24 -18.522 -0.117 -6.105 1.00 11.32 H new ATOM 0 HE3 LYS A 24 -17.756 0.176 -7.654 1.00 11.32 H new ATOM 0 HZ1 LYS A 24 -19.866 1.325 -7.487 1.00 51.00 H new ATOM 0 HZ2 LYS A 24 -19.942 0.148 -8.709 1.00 51.00 H new ATOM 0 HZ3 LYS A 24 -20.684 -0.136 -7.208 1.00 51.00 H new ATOM 382 N CYS A 25 -14.357 -3.448 -9.380 1.00 71.02 N ATOM 383 CA CYS A 25 -13.575 -2.468 -10.113 1.00 12.32 C ATOM 384 C CYS A 25 -14.369 -1.981 -11.317 1.00 23.25 C ATOM 385 O CYS A 25 -14.125 -2.380 -12.456 1.00 25.22 O ATOM 386 CB CYS A 25 -12.231 -3.067 -10.537 1.00 23.23 C ATOM 387 SG CYS A 25 -12.349 -4.707 -11.292 1.00 4.22 S ATOM 0 H CYS A 25 -14.628 -4.263 -9.930 1.00 71.02 H new ATOM 0 HA CYS A 25 -13.366 -1.614 -9.468 1.00 12.32 H new ATOM 0 HB2 CYS A 25 -11.751 -2.389 -11.243 1.00 23.23 H new ATOM 0 HB3 CYS A 25 -11.582 -3.128 -9.663 1.00 23.23 H new ATOM 0 HG CYS A 25 -11.160 -5.122 -11.616 1.00 4.22 H new ATOM 393 N VAL A 26 -15.342 -1.129 -11.044 1.00 23.53 N ATOM 394 CA VAL A 26 -16.288 -0.697 -12.058 1.00 52.32 C ATOM 395 C VAL A 26 -15.999 0.722 -12.506 1.00 3.25 C ATOM 396 O VAL A 26 -16.027 1.641 -11.700 1.00 55.11 O ATOM 397 CB VAL A 26 -17.731 -0.746 -11.519 1.00 12.12 C ATOM 398 CG1 VAL A 26 -18.721 -0.313 -12.588 1.00 30.34 C ATOM 399 CG2 VAL A 26 -18.060 -2.134 -11.000 1.00 53.35 C ATOM 0 H VAL A 26 -15.498 -0.721 -10.122 1.00 23.53 H new ATOM 0 HA VAL A 26 -16.182 -1.378 -12.902 1.00 52.32 H new ATOM 0 HB VAL A 26 -17.811 -0.047 -10.687 1.00 12.12 H new ATOM 0 HG11 VAL A 26 -19.733 -0.355 -12.185 1.00 30.34 H new ATOM 0 HG12 VAL A 26 -18.497 0.707 -12.900 1.00 30.34 H new ATOM 0 HG13 VAL A 26 -18.644 -0.980 -13.447 1.00 30.34 H new ATOM 0 HG21 VAL A 26 -19.083 -2.149 -10.624 1.00 53.35 H new ATOM 0 HG22 VAL A 26 -17.960 -2.858 -11.809 1.00 53.35 H new ATOM 0 HG23 VAL A 26 -17.373 -2.393 -10.194 1.00 53.35 H new ATOM 409 N ILE A 27 -15.720 0.907 -13.784 1.00 42.12 N ATOM 410 CA ILE A 27 -15.595 2.252 -14.311 1.00 32.34 C ATOM 411 C ILE A 27 -16.971 2.880 -14.449 1.00 24.21 C ATOM 412 O ILE A 27 -17.874 2.297 -15.049 1.00 74.13 O ATOM 413 CB ILE A 27 -14.890 2.309 -15.671 1.00 45.02 C ATOM 414 CG1 ILE A 27 -13.446 1.836 -15.551 1.00 42.43 C ATOM 415 CG2 ILE A 27 -14.934 3.730 -16.205 1.00 51.32 C ATOM 416 CD1 ILE A 27 -12.690 1.899 -16.858 1.00 13.02 C ATOM 0 H ILE A 27 -15.578 0.159 -14.463 1.00 42.12 H new ATOM 0 HA ILE A 27 -14.979 2.804 -13.600 1.00 32.34 H new ATOM 0 HB ILE A 27 -15.407 1.645 -16.364 1.00 45.02 H new ATOM 0 HG12 ILE A 27 -12.930 2.447 -14.810 1.00 42.43 H new ATOM 0 HG13 ILE A 27 -13.436 0.811 -15.181 1.00 42.43 H new ATOM 0 HG21 ILE A 27 -14.433 3.771 -17.172 1.00 51.32 H new ATOM 0 HG22 ILE A 27 -15.972 4.043 -16.321 1.00 51.32 H new ATOM 0 HG23 ILE A 27 -14.429 4.397 -15.506 1.00 51.32 H new ATOM 0 HD11 ILE A 27 -11.669 1.549 -16.705 1.00 13.02 H new ATOM 0 HD12 ILE A 27 -13.184 1.266 -17.595 1.00 13.02 H new ATOM 0 HD13 ILE A 27 -12.671 2.928 -17.218 1.00 13.02 H new ATOM 428 N GLU A 28 -17.116 4.064 -13.890 1.00 24.22 N ATOM 429 CA GLU A 28 -18.374 4.776 -13.898 1.00 71.11 C ATOM 430 C GLU A 28 -18.134 6.209 -14.355 1.00 20.11 C ATOM 431 O GLU A 28 -17.531 7.011 -13.639 1.00 61.22 O ATOM 432 CB GLU A 28 -18.980 4.725 -12.499 1.00 11.01 C ATOM 433 CG GLU A 28 -19.170 3.299 -11.999 1.00 2.14 C ATOM 434 CD GLU A 28 -19.672 3.211 -10.571 1.00 53.41 C ATOM 435 OE1 GLU A 28 -19.260 4.045 -9.737 1.00 35.14 O ATOM 436 OE2 GLU A 28 -20.459 2.287 -10.265 1.00 22.13 O ATOM 0 H GLU A 28 -16.361 4.560 -13.416 1.00 24.22 H new ATOM 0 HA GLU A 28 -19.076 4.314 -14.592 1.00 71.11 H new ATOM 0 HB2 GLU A 28 -18.335 5.267 -11.807 1.00 11.01 H new ATOM 0 HB3 GLU A 28 -19.943 5.236 -12.504 1.00 11.01 H new ATOM 0 HG2 GLU A 28 -19.874 2.786 -12.654 1.00 2.14 H new ATOM 0 HG3 GLU A 28 -18.221 2.769 -12.073 1.00 2.14 H new ATOM 443 N GLU A 29 -18.578 6.511 -15.564 1.00 52.43 N ATOM 444 CA GLU A 29 -18.264 7.789 -16.191 1.00 72.15 C ATOM 445 C GLU A 29 -19.151 8.905 -15.642 1.00 54.53 C ATOM 446 O GLU A 29 -20.204 8.650 -15.054 1.00 63.41 O ATOM 447 CB GLU A 29 -18.375 7.692 -17.729 1.00 32.41 C ATOM 448 CG GLU A 29 -19.743 8.033 -18.317 1.00 64.51 C ATOM 449 CD GLU A 29 -20.842 7.072 -17.914 1.00 61.11 C ATOM 450 OE1 GLU A 29 -20.787 5.891 -18.310 1.00 1.13 O ATOM 451 OE2 GLU A 29 -21.782 7.501 -17.217 1.00 21.04 O ATOM 0 H GLU A 29 -19.156 5.891 -16.132 1.00 52.43 H new ATOM 0 HA GLU A 29 -17.231 8.038 -15.946 1.00 72.15 H new ATOM 0 HB2 GLU A 29 -17.634 8.358 -18.171 1.00 32.41 H new ATOM 0 HB3 GLU A 29 -18.113 6.678 -18.031 1.00 32.41 H new ATOM 0 HG2 GLU A 29 -20.021 9.039 -18.004 1.00 64.51 H new ATOM 0 HG3 GLU A 29 -19.667 8.047 -19.404 1.00 64.51 H new ATOM 458 N VAL A 30 -18.699 10.137 -15.810 1.00 10.14 N ATOM 459 CA VAL A 30 -19.445 11.309 -15.385 1.00 62.41 C ATOM 460 C VAL A 30 -19.459 12.333 -16.510 1.00 1.45 C ATOM 461 O VAL A 30 -18.403 12.761 -16.976 1.00 3.03 O ATOM 462 CB VAL A 30 -18.834 11.955 -14.120 1.00 11.34 C ATOM 463 CG1 VAL A 30 -19.637 13.172 -13.691 1.00 52.30 C ATOM 464 CG2 VAL A 30 -18.751 10.950 -12.983 1.00 42.22 C ATOM 0 H VAL A 30 -17.802 10.352 -16.246 1.00 10.14 H new ATOM 0 HA VAL A 30 -20.459 10.989 -15.144 1.00 62.41 H new ATOM 0 HB VAL A 30 -17.823 12.279 -14.367 1.00 11.34 H new ATOM 0 HG11 VAL A 30 -19.187 13.609 -12.799 1.00 52.30 H new ATOM 0 HG12 VAL A 30 -19.639 13.909 -14.494 1.00 52.30 H new ATOM 0 HG13 VAL A 30 -20.662 12.873 -13.471 1.00 52.30 H new ATOM 0 HG21 VAL A 30 -18.318 11.429 -12.105 1.00 42.22 H new ATOM 0 HG22 VAL A 30 -19.751 10.589 -12.743 1.00 42.22 H new ATOM 0 HG23 VAL A 30 -18.125 10.111 -13.284 1.00 42.22 H new ATOM 474 N LYS A 31 -20.649 12.712 -16.953 1.00 31.45 N ATOM 475 CA LYS A 31 -20.788 13.663 -18.051 1.00 40.31 C ATOM 476 C LYS A 31 -20.396 15.070 -17.606 1.00 72.13 C ATOM 477 O LYS A 31 -21.249 15.901 -17.298 1.00 23.23 O ATOM 478 CB LYS A 31 -22.220 13.666 -18.609 1.00 30.35 C ATOM 479 CG LYS A 31 -22.612 12.400 -19.367 1.00 13.43 C ATOM 480 CD LYS A 31 -22.891 11.230 -18.434 1.00 61.54 C ATOM 481 CE LYS A 31 -23.365 10.008 -19.206 1.00 65.44 C ATOM 482 NZ LYS A 31 -23.735 8.890 -18.299 1.00 72.10 N ATOM 0 H LYS A 31 -21.533 12.377 -16.570 1.00 31.45 H new ATOM 0 HA LYS A 31 -20.112 13.346 -18.845 1.00 40.31 H new ATOM 0 HB2 LYS A 31 -22.917 13.809 -17.783 1.00 30.35 H new ATOM 0 HB3 LYS A 31 -22.334 14.522 -19.274 1.00 30.35 H new ATOM 0 HG2 LYS A 31 -23.498 12.600 -19.970 1.00 13.43 H new ATOM 0 HG3 LYS A 31 -21.812 12.129 -20.056 1.00 13.43 H new ATOM 0 HD2 LYS A 31 -21.987 10.983 -17.877 1.00 61.54 H new ATOM 0 HD3 LYS A 31 -23.647 11.517 -17.703 1.00 61.54 H new ATOM 0 HE2 LYS A 31 -24.224 10.277 -19.820 1.00 65.44 H new ATOM 0 HE3 LYS A 31 -22.578 9.680 -19.885 1.00 65.44 H new ATOM 0 HZ1 LYS A 31 -24.148 8.114 -18.855 1.00 72.10 H new ATOM 0 HZ2 LYS A 31 -22.886 8.548 -17.805 1.00 72.10 H new ATOM 0 HZ3 LYS A 31 -24.431 9.224 -17.602 1.00 72.10 H new ATOM 496 N SER A 32 -19.094 15.313 -17.549 1.00 44.31 N ATOM 497 CA SER A 32 -18.564 16.606 -17.150 1.00 51.53 C ATOM 498 C SER A 32 -18.409 17.514 -18.366 1.00 71.10 C ATOM 499 O SER A 32 -18.607 18.725 -18.280 1.00 74.35 O ATOM 500 CB SER A 32 -17.216 16.419 -16.443 1.00 53.55 C ATOM 501 OG SER A 32 -16.665 17.657 -16.028 1.00 2.12 O ATOM 0 H SER A 32 -18.379 14.622 -17.777 1.00 44.31 H new ATOM 0 HA SER A 32 -19.262 17.078 -16.458 1.00 51.53 H new ATOM 0 HB2 SER A 32 -17.346 15.770 -15.577 1.00 53.55 H new ATOM 0 HB3 SER A 32 -16.519 15.918 -17.115 1.00 53.55 H new ATOM 0 HG SER A 32 -15.808 17.500 -15.580 1.00 2.12 H new ATOM 507 N SER A 33 -18.057 16.921 -19.497 1.00 2.30 N ATOM 508 CA SER A 33 -17.899 17.671 -20.728 1.00 61.12 C ATOM 509 C SER A 33 -19.171 17.568 -21.559 1.00 5.41 C ATOM 510 O SER A 33 -19.809 16.514 -21.605 1.00 55.21 O ATOM 511 CB SER A 33 -16.698 17.148 -21.521 1.00 44.32 C ATOM 512 OG SER A 33 -16.432 17.964 -22.649 1.00 34.50 O ATOM 0 H SER A 33 -17.876 15.921 -19.585 1.00 2.30 H new ATOM 0 HA SER A 33 -17.718 18.718 -20.485 1.00 61.12 H new ATOM 0 HB2 SER A 33 -15.819 17.117 -20.877 1.00 44.32 H new ATOM 0 HB3 SER A 33 -16.891 16.126 -21.846 1.00 44.32 H new ATOM 0 HG SER A 33 -15.660 17.608 -23.136 1.00 34.50 H new ATOM 518 N HIS A 34 -19.538 18.663 -22.203 1.00 21.22 N ATOM 519 CA HIS A 34 -20.750 18.706 -23.007 1.00 24.41 C ATOM 520 C HIS A 34 -20.414 18.741 -24.492 1.00 11.41 C ATOM 521 O HIS A 34 -21.281 18.996 -25.329 1.00 33.51 O ATOM 522 CB HIS A 34 -21.605 19.923 -22.629 1.00 34.01 C ATOM 523 CG HIS A 34 -20.889 21.242 -22.727 1.00 10.03 C ATOM 524 ND1 HIS A 34 -21.016 22.111 -23.788 1.00 73.43 N ATOM 525 CD2 HIS A 34 -20.039 21.840 -21.856 1.00 23.42 C ATOM 526 CE1 HIS A 34 -20.257 23.182 -23.536 1.00 32.12 C ATOM 527 NE2 HIS A 34 -19.644 23.068 -22.374 1.00 4.35 N ATOM 0 H HIS A 34 -19.013 19.537 -22.185 1.00 21.22 H new ATOM 0 HA HIS A 34 -21.322 17.800 -22.804 1.00 24.41 H new ATOM 0 HB2 HIS A 34 -22.482 19.951 -23.276 1.00 34.01 H new ATOM 0 HB3 HIS A 34 -21.966 19.795 -21.609 1.00 34.01 H new ATOM 0 HD2 HIS A 34 -19.720 21.428 -20.910 1.00 23.42 H new ATOM 0 HE1 HIS A 34 -20.159 24.030 -24.198 1.00 32.12 H new ATOM 0 HE2 HIS A 34 -19.011 23.742 -21.944 1.00 4.35 H new ATOM 535 N LYS A 35 -19.152 18.492 -24.816 1.00 22.12 N ATOM 536 CA LYS A 35 -18.715 18.471 -26.202 1.00 72.24 C ATOM 537 C LYS A 35 -17.945 17.196 -26.516 1.00 53.41 C ATOM 538 O LYS A 35 -16.712 17.187 -26.542 1.00 52.44 O ATOM 539 CB LYS A 35 -17.850 19.691 -26.526 1.00 31.32 C ATOM 540 CG LYS A 35 -18.605 21.011 -26.506 1.00 1.23 C ATOM 541 CD LYS A 35 -17.685 22.182 -26.804 1.00 63.23 C ATOM 542 CE LYS A 35 -18.459 23.483 -26.936 1.00 51.42 C ATOM 543 NZ LYS A 35 -19.365 23.474 -28.116 1.00 64.34 N ATOM 0 H LYS A 35 -18.415 18.302 -24.137 1.00 22.12 H new ATOM 0 HA LYS A 35 -19.610 18.501 -26.824 1.00 72.24 H new ATOM 0 HB2 LYS A 35 -17.031 19.743 -25.809 1.00 31.32 H new ATOM 0 HB3 LYS A 35 -17.404 19.555 -27.511 1.00 31.32 H new ATOM 0 HG2 LYS A 35 -19.409 20.983 -27.241 1.00 1.23 H new ATOM 0 HG3 LYS A 35 -19.070 21.151 -25.530 1.00 1.23 H new ATOM 0 HD2 LYS A 35 -16.946 22.277 -26.008 1.00 63.23 H new ATOM 0 HD3 LYS A 35 -17.137 21.989 -27.726 1.00 63.23 H new ATOM 0 HE2 LYS A 35 -19.043 23.651 -26.031 1.00 51.42 H new ATOM 0 HE3 LYS A 35 -17.759 24.314 -27.022 1.00 51.42 H new ATOM 0 HZ1 LYS A 35 -19.678 24.444 -28.321 1.00 64.34 H new ATOM 0 HZ2 LYS A 35 -18.858 23.093 -28.940 1.00 64.34 H new ATOM 0 HZ3 LYS A 35 -20.193 22.879 -27.913 1.00 64.34 H new ATOM 557 N THR A 36 -18.668 16.114 -26.728 1.00 41.40 N ATOM 558 CA THR A 36 -18.055 14.866 -27.137 1.00 34.35 C ATOM 559 C THR A 36 -18.423 14.530 -28.575 1.00 41.31 C ATOM 560 O THR A 36 -19.360 13.775 -28.837 1.00 52.34 O ATOM 561 CB THR A 36 -18.440 13.710 -26.198 1.00 22.01 C ATOM 562 OG1 THR A 36 -19.708 13.974 -25.581 1.00 60.52 O ATOM 563 CG2 THR A 36 -17.373 13.516 -25.134 1.00 42.35 C ATOM 0 H THR A 36 -19.682 16.074 -26.624 1.00 41.40 H new ATOM 0 HA THR A 36 -16.975 14.997 -27.075 1.00 34.35 H new ATOM 0 HB THR A 36 -18.518 12.796 -26.786 1.00 22.01 H new ATOM 0 HG1 THR A 36 -19.944 13.231 -24.987 1.00 60.52 H new ATOM 0 HG21 THR A 36 -17.659 12.695 -24.477 1.00 42.35 H new ATOM 0 HG22 THR A 36 -16.421 13.284 -25.611 1.00 42.35 H new ATOM 0 HG23 THR A 36 -17.272 14.430 -24.549 1.00 42.35 H new ATOM 571 N LEU A 37 -17.690 15.128 -29.504 1.00 0.01 N ATOM 572 CA LEU A 37 -17.951 14.953 -30.925 1.00 74.03 C ATOM 573 C LEU A 37 -17.007 13.929 -31.530 1.00 13.40 C ATOM 574 O LEU A 37 -17.046 13.671 -32.732 1.00 44.52 O ATOM 575 CB LEU A 37 -17.804 16.286 -31.659 1.00 65.00 C ATOM 576 CG LEU A 37 -18.846 17.347 -31.302 1.00 70.32 C ATOM 577 CD1 LEU A 37 -18.518 18.667 -31.982 1.00 60.51 C ATOM 578 CD2 LEU A 37 -20.234 16.874 -31.701 1.00 2.32 C ATOM 0 H LEU A 37 -16.904 15.743 -29.296 1.00 0.01 H new ATOM 0 HA LEU A 37 -18.973 14.591 -31.036 1.00 74.03 H new ATOM 0 HB2 LEU A 37 -16.813 16.689 -31.451 1.00 65.00 H new ATOM 0 HB3 LEU A 37 -17.853 16.099 -32.732 1.00 65.00 H new ATOM 0 HG LEU A 37 -18.827 17.504 -30.223 1.00 70.32 H new ATOM 0 HD11 LEU A 37 -19.270 19.410 -31.716 1.00 60.51 H new ATOM 0 HD12 LEU A 37 -17.537 19.011 -31.655 1.00 60.51 H new ATOM 0 HD13 LEU A 37 -18.512 18.528 -33.063 1.00 60.51 H new ATOM 0 HD21 LEU A 37 -20.967 17.638 -31.442 1.00 2.32 H new ATOM 0 HD22 LEU A 37 -20.262 16.694 -32.776 1.00 2.32 H new ATOM 0 HD23 LEU A 37 -20.470 15.951 -31.172 1.00 2.32 H new ATOM 590 N LEU A 38 -16.146 13.358 -30.700 1.00 24.31 N ATOM 591 CA LEU A 38 -15.212 12.352 -31.174 1.00 11.44 C ATOM 592 C LEU A 38 -15.944 11.045 -31.407 1.00 13.33 C ATOM 593 O LEU A 38 -16.702 10.611 -30.537 1.00 73.34 O ATOM 594 CB LEU A 38 -14.070 12.116 -30.176 1.00 72.24 C ATOM 595 CG LEU A 38 -14.385 11.150 -29.028 1.00 32.04 C ATOM 596 CD1 LEU A 38 -13.114 10.500 -28.524 1.00 42.21 C ATOM 597 CD2 LEU A 38 -15.101 11.867 -27.896 1.00 52.21 C ATOM 0 H LEU A 38 -16.076 13.572 -29.705 1.00 24.31 H new ATOM 0 HA LEU A 38 -14.780 12.718 -32.105 1.00 11.44 H new ATOM 0 HB2 LEU A 38 -13.207 11.735 -30.722 1.00 72.24 H new ATOM 0 HB3 LEU A 38 -13.779 13.076 -29.750 1.00 72.24 H new ATOM 0 HG LEU A 38 -15.048 10.373 -29.408 1.00 32.04 H new ATOM 0 HD11 LEU A 38 -13.353 9.817 -27.709 1.00 42.21 H new ATOM 0 HD12 LEU A 38 -12.642 9.946 -29.335 1.00 42.21 H new ATOM 0 HD13 LEU A 38 -12.430 11.269 -28.164 1.00 42.21 H new ATOM 0 HD21 LEU A 38 -15.313 11.160 -27.094 1.00 52.21 H new ATOM 0 HD22 LEU A 38 -14.468 12.669 -27.515 1.00 52.21 H new ATOM 0 HD23 LEU A 38 -16.036 12.288 -28.266 1.00 52.21 H new ATOM 609 N ASN A 39 -15.723 10.457 -32.587 1.00 53.15 N ATOM 610 CA ASN A 39 -16.238 9.128 -32.956 1.00 23.22 C ATOM 611 C ASN A 39 -17.585 8.828 -32.295 1.00 53.32 C ATOM 612 O ASN A 39 -18.640 9.198 -32.810 1.00 14.32 O ATOM 613 CB ASN A 39 -15.200 8.055 -32.592 1.00 42.35 C ATOM 614 CG ASN A 39 -15.539 6.661 -33.107 1.00 71.24 C ATOM 615 OD1 ASN A 39 -16.706 6.279 -33.222 1.00 44.23 O ATOM 616 ND2 ASN A 39 -14.510 5.890 -33.417 1.00 73.33 N ATOM 0 H ASN A 39 -15.173 10.895 -33.326 1.00 53.15 H new ATOM 0 HA ASN A 39 -16.408 9.118 -34.033 1.00 23.22 H new ATOM 0 HB2 ASN A 39 -14.230 8.352 -32.992 1.00 42.35 H new ATOM 0 HB3 ASN A 39 -15.099 8.015 -31.507 1.00 42.35 H new ATOM 0 HD21 ASN A 39 -14.668 4.944 -33.765 1.00 73.33 H new ATOM 0 HD22 ASN A 39 -13.559 6.241 -33.308 1.00 73.33 H new ATOM 623 N THR A 40 -17.534 8.173 -31.141 1.00 74.11 N ATOM 624 CA THR A 40 -18.716 7.932 -30.342 1.00 73.14 C ATOM 625 C THR A 40 -18.419 8.093 -28.855 1.00 22.42 C ATOM 626 O THR A 40 -18.303 7.109 -28.125 1.00 32.43 O ATOM 627 CB THR A 40 -19.282 6.534 -30.585 1.00 41.01 C ATOM 628 OG1 THR A 40 -18.226 5.631 -30.956 1.00 61.55 O ATOM 629 CG2 THR A 40 -20.360 6.553 -31.657 1.00 0.15 C ATOM 0 H THR A 40 -16.674 7.798 -30.740 1.00 74.11 H new ATOM 0 HA THR A 40 -19.455 8.673 -30.646 1.00 73.14 H new ATOM 0 HB THR A 40 -19.739 6.188 -29.658 1.00 41.01 H new ATOM 0 HG1 THR A 40 -17.859 5.896 -31.825 1.00 61.55 H new ATOM 0 HG21 THR A 40 -20.742 5.543 -31.806 1.00 0.15 H new ATOM 0 HG22 THR A 40 -21.174 7.207 -31.343 1.00 0.15 H new ATOM 0 HG23 THR A 40 -19.938 6.923 -32.591 1.00 0.15 H new ATOM 637 N GLU A 41 -18.251 9.343 -28.437 1.00 65.04 N ATOM 638 CA GLU A 41 -18.039 9.699 -27.028 1.00 33.33 C ATOM 639 C GLU A 41 -16.900 8.893 -26.395 1.00 72.10 C ATOM 640 O GLU A 41 -16.935 8.590 -25.202 1.00 64.02 O ATOM 641 CB GLU A 41 -19.331 9.485 -26.234 1.00 53.12 C ATOM 642 CG GLU A 41 -20.473 10.384 -26.673 1.00 43.21 C ATOM 643 CD GLU A 41 -21.770 10.066 -25.958 1.00 73.42 C ATOM 644 OE1 GLU A 41 -22.485 9.147 -26.407 1.00 51.31 O ATOM 645 OE2 GLU A 41 -22.086 10.736 -24.952 1.00 73.22 O ATOM 0 H GLU A 41 -18.257 10.146 -29.065 1.00 65.04 H new ATOM 0 HA GLU A 41 -17.756 10.751 -26.996 1.00 33.33 H new ATOM 0 HB2 GLU A 41 -19.640 8.445 -26.334 1.00 53.12 H new ATOM 0 HB3 GLU A 41 -19.130 9.658 -25.177 1.00 53.12 H new ATOM 0 HG2 GLU A 41 -20.205 11.424 -26.487 1.00 43.21 H new ATOM 0 HG3 GLU A 41 -20.620 10.281 -27.748 1.00 43.21 H new ATOM 652 N LEU A 42 -15.886 8.563 -27.195 1.00 33.52 N ATOM 653 CA LEU A 42 -14.778 7.735 -26.722 1.00 64.24 C ATOM 654 C LEU A 42 -14.022 8.378 -25.559 1.00 31.31 C ATOM 655 O LEU A 42 -13.626 7.694 -24.614 1.00 30.11 O ATOM 656 CB LEU A 42 -13.817 7.391 -27.863 1.00 52.14 C ATOM 657 CG LEU A 42 -14.426 6.564 -28.998 1.00 10.21 C ATOM 658 CD1 LEU A 42 -13.371 6.233 -30.038 1.00 42.22 C ATOM 659 CD2 LEU A 42 -15.059 5.288 -28.458 1.00 60.25 C ATOM 0 H LEU A 42 -15.809 8.855 -28.169 1.00 33.52 H new ATOM 0 HA LEU A 42 -15.219 6.811 -26.348 1.00 64.24 H new ATOM 0 HB2 LEU A 42 -13.426 8.319 -28.280 1.00 52.14 H new ATOM 0 HB3 LEU A 42 -12.969 6.844 -27.451 1.00 52.14 H new ATOM 0 HG LEU A 42 -15.207 7.158 -29.472 1.00 10.21 H new ATOM 0 HD11 LEU A 42 -13.821 5.645 -30.838 1.00 42.22 H new ATOM 0 HD12 LEU A 42 -12.965 7.156 -30.451 1.00 42.22 H new ATOM 0 HD13 LEU A 42 -12.569 5.660 -29.573 1.00 42.22 H new ATOM 0 HD21 LEU A 42 -15.485 4.716 -29.282 1.00 60.25 H new ATOM 0 HD22 LEU A 42 -14.299 4.689 -27.956 1.00 60.25 H new ATOM 0 HD23 LEU A 42 -15.846 5.544 -27.749 1.00 60.25 H new ATOM 671 N HIS A 43 -13.835 9.686 -25.623 1.00 34.13 N ATOM 672 CA HIS A 43 -13.153 10.408 -24.560 1.00 14.44 C ATOM 673 C HIS A 43 -14.141 11.215 -23.737 1.00 10.42 C ATOM 674 O HIS A 43 -14.461 12.357 -24.067 1.00 14.14 O ATOM 675 CB HIS A 43 -12.060 11.323 -25.120 1.00 1.00 C ATOM 676 CG HIS A 43 -10.752 10.625 -25.351 1.00 31.24 C ATOM 677 ND1 HIS A 43 -10.287 10.237 -26.590 1.00 11.53 N ATOM 678 CD2 HIS A 43 -9.799 10.248 -24.461 1.00 52.44 C ATOM 679 CE1 HIS A 43 -9.097 9.650 -26.418 1.00 2.45 C ATOM 680 NE2 HIS A 43 -8.753 9.631 -25.144 1.00 32.25 N ATOM 0 H HIS A 43 -14.146 10.270 -26.399 1.00 34.13 H new ATOM 0 HA HIS A 43 -12.679 9.670 -23.913 1.00 14.44 H new ATOM 0 HB2 HIS A 43 -12.404 11.752 -26.061 1.00 1.00 H new ATOM 0 HB3 HIS A 43 -11.903 12.152 -24.430 1.00 1.00 H new ATOM 0 HD2 HIS A 43 -9.844 10.402 -23.393 1.00 52.44 H new ATOM 0 HE1 HIS A 43 -8.496 9.244 -27.218 1.00 2.45 H new ATOM 0 HE2 HIS A 43 -7.899 9.245 -24.743 1.00 32.25 H new ATOM 688 N LEU A 44 -14.639 10.598 -22.682 1.00 5.13 N ATOM 689 CA LEU A 44 -15.547 11.250 -21.765 1.00 2.34 C ATOM 690 C LEU A 44 -15.000 11.072 -20.354 1.00 43.13 C ATOM 691 O LEU A 44 -14.336 10.072 -20.072 1.00 32.44 O ATOM 692 CB LEU A 44 -16.955 10.641 -21.920 1.00 72.42 C ATOM 693 CG LEU A 44 -18.129 11.423 -21.302 1.00 63.42 C ATOM 694 CD1 LEU A 44 -18.266 11.136 -19.815 1.00 24.01 C ATOM 695 CD2 LEU A 44 -17.973 12.921 -21.546 1.00 62.32 C ATOM 0 H LEU A 44 -14.424 9.631 -22.439 1.00 5.13 H new ATOM 0 HA LEU A 44 -15.629 12.316 -21.977 1.00 2.34 H new ATOM 0 HB2 LEU A 44 -17.154 10.516 -22.984 1.00 72.42 H new ATOM 0 HB3 LEU A 44 -16.943 9.644 -21.479 1.00 72.42 H new ATOM 0 HG LEU A 44 -19.042 11.087 -21.793 1.00 63.42 H new ATOM 0 HD11 LEU A 44 -19.104 11.704 -19.411 1.00 24.01 H new ATOM 0 HD12 LEU A 44 -18.443 10.071 -19.665 1.00 24.01 H new ATOM 0 HD13 LEU A 44 -17.349 11.427 -19.302 1.00 24.01 H new ATOM 0 HD21 LEU A 44 -18.814 13.452 -21.100 1.00 62.32 H new ATOM 0 HD22 LEU A 44 -17.044 13.268 -21.094 1.00 62.32 H new ATOM 0 HD23 LEU A 44 -17.949 13.114 -22.618 1.00 62.32 H new ATOM 707 N THR A 45 -15.228 12.057 -19.497 1.00 63.43 N ATOM 708 CA THR A 45 -14.744 12.015 -18.126 1.00 20.51 C ATOM 709 C THR A 45 -15.246 10.772 -17.409 1.00 61.11 C ATOM 710 O THR A 45 -16.422 10.665 -17.077 1.00 31.31 O ATOM 711 CB THR A 45 -15.207 13.257 -17.350 1.00 22.11 C ATOM 712 OG1 THR A 45 -15.188 14.399 -18.218 1.00 60.23 O ATOM 713 CG2 THR A 45 -14.306 13.514 -16.149 1.00 54.31 C ATOM 0 H THR A 45 -15.750 12.902 -19.731 1.00 63.43 H new ATOM 0 HA THR A 45 -13.655 11.993 -18.165 1.00 20.51 H new ATOM 0 HB THR A 45 -16.221 13.082 -16.990 1.00 22.11 H new ATOM 0 HG1 THR A 45 -14.578 15.075 -17.856 1.00 60.23 H new ATOM 0 HG21 THR A 45 -14.654 14.399 -15.616 1.00 54.31 H new ATOM 0 HG22 THR A 45 -14.335 12.653 -15.481 1.00 54.31 H new ATOM 0 HG23 THR A 45 -13.283 13.675 -16.489 1.00 54.31 H new ATOM 721 N LYS A 46 -14.355 9.828 -17.187 1.00 62.15 N ATOM 722 CA LYS A 46 -14.730 8.593 -16.537 1.00 22.14 C ATOM 723 C LYS A 46 -13.937 8.408 -15.251 1.00 13.10 C ATOM 724 O LYS A 46 -12.814 8.903 -15.119 1.00 44.53 O ATOM 725 CB LYS A 46 -14.550 7.405 -17.497 1.00 62.34 C ATOM 726 CG LYS A 46 -13.362 6.506 -17.191 1.00 11.45 C ATOM 727 CD LYS A 46 -12.035 7.164 -17.509 1.00 10.54 C ATOM 728 CE LYS A 46 -10.910 6.443 -16.799 1.00 13.11 C ATOM 729 NZ LYS A 46 -9.579 6.955 -17.214 1.00 51.23 N ATOM 0 H LYS A 46 -13.371 9.893 -17.446 1.00 62.15 H new ATOM 0 HA LYS A 46 -15.785 8.639 -16.268 1.00 22.14 H new ATOM 0 HB2 LYS A 46 -15.457 6.801 -17.478 1.00 62.34 H new ATOM 0 HB3 LYS A 46 -14.444 7.790 -18.511 1.00 62.34 H new ATOM 0 HG2 LYS A 46 -13.383 6.229 -16.137 1.00 11.45 H new ATOM 0 HG3 LYS A 46 -13.452 5.583 -17.764 1.00 11.45 H new ATOM 0 HD2 LYS A 46 -11.863 7.151 -18.585 1.00 10.54 H new ATOM 0 HD3 LYS A 46 -12.057 8.210 -17.203 1.00 10.54 H new ATOM 0 HE2 LYS A 46 -11.025 6.561 -15.722 1.00 13.11 H new ATOM 0 HE3 LYS A 46 -10.971 5.376 -17.011 1.00 13.11 H new ATOM 0 HZ1 LYS A 46 -8.834 6.437 -16.706 1.00 51.23 H new ATOM 0 HZ2 LYS A 46 -9.459 6.819 -18.238 1.00 51.23 H new ATOM 0 HZ3 LYS A 46 -9.511 7.968 -16.989 1.00 51.23 H new ATOM 743 N TYR A 47 -14.535 7.716 -14.300 1.00 21.42 N ATOM 744 CA TYR A 47 -13.886 7.450 -13.034 1.00 45.04 C ATOM 745 C TYR A 47 -13.944 5.970 -12.728 1.00 24.43 C ATOM 746 O TYR A 47 -14.856 5.274 -13.163 1.00 61.12 O ATOM 747 CB TYR A 47 -14.558 8.234 -11.900 1.00 20.12 C ATOM 748 CG TYR A 47 -14.398 9.735 -11.995 1.00 14.04 C ATOM 749 CD1 TYR A 47 -15.208 10.491 -12.833 1.00 1.11 C ATOM 750 CD2 TYR A 47 -13.443 10.397 -11.237 1.00 63.14 C ATOM 751 CE1 TYR A 47 -15.066 11.861 -12.917 1.00 13.00 C ATOM 752 CE2 TYR A 47 -13.297 11.767 -11.313 1.00 3.30 C ATOM 753 CZ TYR A 47 -14.110 12.494 -12.153 1.00 20.32 C ATOM 754 OH TYR A 47 -13.966 13.861 -12.232 1.00 31.12 O ATOM 0 H TYR A 47 -15.474 7.327 -14.383 1.00 21.42 H new ATOM 0 HA TYR A 47 -12.846 7.769 -13.109 1.00 45.04 H new ATOM 0 HB2 TYR A 47 -15.621 7.995 -11.890 1.00 20.12 H new ATOM 0 HB3 TYR A 47 -14.146 7.897 -10.949 1.00 20.12 H new ATOM 0 HD1 TYR A 47 -15.962 9.998 -13.429 1.00 1.11 H new ATOM 0 HD2 TYR A 47 -12.803 9.831 -10.576 1.00 63.14 H new ATOM 0 HE1 TYR A 47 -15.700 12.434 -13.578 1.00 13.00 H new ATOM 0 HE2 TYR A 47 -12.548 12.267 -10.716 1.00 3.30 H new ATOM 0 HH TYR A 47 -13.249 14.150 -11.629 1.00 31.12 H new ATOM 764 N TYR A 48 -12.962 5.491 -12.001 1.00 63.11 N ATOM 765 CA TYR A 48 -12.976 4.128 -11.526 1.00 20.24 C ATOM 766 C TYR A 48 -13.708 4.060 -10.193 1.00 20.51 C ATOM 767 O TYR A 48 -13.289 4.683 -9.214 1.00 60.12 O ATOM 768 CB TYR A 48 -11.556 3.592 -11.374 1.00 2.14 C ATOM 769 CG TYR A 48 -10.973 3.019 -12.647 1.00 21.41 C ATOM 770 CD1 TYR A 48 -10.541 3.842 -13.682 1.00 40.22 C ATOM 771 CD2 TYR A 48 -10.839 1.647 -12.804 1.00 34.11 C ATOM 772 CE1 TYR A 48 -9.997 3.310 -14.835 1.00 1.41 C ATOM 773 CE2 TYR A 48 -10.293 1.107 -13.952 1.00 72.11 C ATOM 774 CZ TYR A 48 -9.870 1.943 -14.963 1.00 60.12 C ATOM 775 OH TYR A 48 -9.327 1.409 -16.111 1.00 62.41 O ATOM 0 H TYR A 48 -12.140 6.028 -11.725 1.00 63.11 H new ATOM 0 HA TYR A 48 -13.496 3.508 -12.257 1.00 20.24 H new ATOM 0 HB2 TYR A 48 -10.911 4.397 -11.022 1.00 2.14 H new ATOM 0 HB3 TYR A 48 -11.551 2.820 -10.605 1.00 2.14 H new ATOM 0 HD1 TYR A 48 -10.632 4.914 -13.583 1.00 40.22 H new ATOM 0 HD2 TYR A 48 -11.168 0.989 -12.013 1.00 34.11 H new ATOM 0 HE1 TYR A 48 -9.673 3.962 -15.633 1.00 1.41 H new ATOM 0 HE2 TYR A 48 -10.198 0.036 -14.057 1.00 72.11 H new ATOM 0 HH TYR A 48 -9.308 0.432 -16.040 1.00 62.41 H new ATOM 785 N GLY A 49 -14.811 3.334 -10.168 1.00 10.24 N ATOM 786 CA GLY A 49 -15.578 3.186 -8.951 1.00 72.25 C ATOM 787 C GLY A 49 -15.167 1.951 -8.179 1.00 62.21 C ATOM 788 O GLY A 49 -15.792 0.894 -8.303 1.00 31.41 O ATOM 0 H GLY A 49 -15.192 2.840 -10.975 1.00 10.24 H new ATOM 0 HA2 GLY A 49 -15.443 4.068 -8.326 1.00 72.25 H new ATOM 0 HA3 GLY A 49 -16.639 3.127 -9.194 1.00 72.25 H new ATOM 792 N PHE A 50 -14.101 2.076 -7.403 1.00 44.13 N ATOM 793 CA PHE A 50 -13.629 0.978 -6.576 1.00 2.14 C ATOM 794 C PHE A 50 -14.476 0.853 -5.327 1.00 50.30 C ATOM 795 O PHE A 50 -14.856 1.855 -4.724 1.00 14.24 O ATOM 796 CB PHE A 50 -12.167 1.178 -6.186 1.00 12.14 C ATOM 797 CG PHE A 50 -11.220 0.393 -7.037 1.00 62.44 C ATOM 798 CD1 PHE A 50 -10.735 0.913 -8.221 1.00 51.14 C ATOM 799 CD2 PHE A 50 -10.823 -0.876 -6.654 1.00 15.21 C ATOM 800 CE1 PHE A 50 -9.870 0.186 -9.004 1.00 51.53 C ATOM 801 CE2 PHE A 50 -9.956 -1.610 -7.433 1.00 34.14 C ATOM 802 CZ PHE A 50 -9.477 -1.077 -8.614 1.00 53.33 C ATOM 0 H PHE A 50 -13.546 2.929 -7.329 1.00 44.13 H new ATOM 0 HA PHE A 50 -13.713 0.061 -7.159 1.00 2.14 H new ATOM 0 HB2 PHE A 50 -11.919 2.237 -6.259 1.00 12.14 H new ATOM 0 HB3 PHE A 50 -12.033 0.890 -5.143 1.00 12.14 H new ATOM 0 HD1 PHE A 50 -11.038 1.901 -8.535 1.00 51.14 H new ATOM 0 HD2 PHE A 50 -11.198 -1.296 -5.732 1.00 15.21 H new ATOM 0 HE1 PHE A 50 -9.497 0.605 -9.927 1.00 51.53 H new ATOM 0 HE2 PHE A 50 -9.652 -2.598 -7.122 1.00 34.14 H new ATOM 0 HZ PHE A 50 -8.797 -1.647 -9.230 1.00 53.33 H new ATOM 812 N SER A 51 -14.781 -0.374 -4.946 1.00 53.44 N ATOM 813 CA SER A 51 -15.578 -0.604 -3.762 1.00 14.13 C ATOM 814 C SER A 51 -15.423 -2.042 -3.277 1.00 44.31 C ATOM 815 O SER A 51 -15.357 -2.973 -4.080 1.00 32.12 O ATOM 816 CB SER A 51 -17.044 -0.295 -4.070 1.00 51.25 C ATOM 817 OG SER A 51 -17.816 -0.208 -2.891 1.00 51.21 O ATOM 0 H SER A 51 -14.490 -1.219 -5.437 1.00 53.44 H new ATOM 0 HA SER A 51 -15.232 0.055 -2.966 1.00 14.13 H new ATOM 0 HB2 SER A 51 -17.111 0.644 -4.619 1.00 51.25 H new ATOM 0 HB3 SER A 51 -17.452 -1.072 -4.716 1.00 51.25 H new ATOM 0 HG SER A 51 -17.242 -0.362 -2.112 1.00 51.21 H new ATOM 823 N PHE A 52 -15.355 -2.212 -1.964 1.00 14.22 N ATOM 824 CA PHE A 52 -15.272 -3.532 -1.369 1.00 75.23 C ATOM 825 C PHE A 52 -16.653 -3.974 -0.906 1.00 73.44 C ATOM 826 O PHE A 52 -17.301 -3.287 -0.103 1.00 14.31 O ATOM 827 CB PHE A 52 -14.298 -3.555 -0.188 1.00 33.53 C ATOM 828 CG PHE A 52 -14.108 -4.931 0.385 1.00 12.21 C ATOM 829 CD1 PHE A 52 -14.969 -5.422 1.354 1.00 52.11 C ATOM 830 CD2 PHE A 52 -13.078 -5.740 -0.060 1.00 2.23 C ATOM 831 CE1 PHE A 52 -14.803 -6.692 1.869 1.00 60.14 C ATOM 832 CE2 PHE A 52 -12.908 -7.012 0.448 1.00 21.41 C ATOM 833 CZ PHE A 52 -13.773 -7.488 1.412 1.00 42.33 C ATOM 0 H PHE A 52 -15.356 -1.446 -1.290 1.00 14.22 H new ATOM 0 HA PHE A 52 -14.898 -4.221 -2.127 1.00 75.23 H new ATOM 0 HB2 PHE A 52 -13.333 -3.165 -0.512 1.00 33.53 H new ATOM 0 HB3 PHE A 52 -14.665 -2.889 0.593 1.00 33.53 H new ATOM 0 HD1 PHE A 52 -15.779 -4.804 1.710 1.00 52.11 H new ATOM 0 HD2 PHE A 52 -12.398 -5.372 -0.814 1.00 2.23 H new ATOM 0 HE1 PHE A 52 -15.477 -7.061 2.627 1.00 60.14 H new ATOM 0 HE2 PHE A 52 -12.100 -7.633 0.092 1.00 21.41 H new ATOM 0 HZ PHE A 52 -13.644 -8.484 1.809 1.00 42.33 H new ATOM 843 N PHE A 53 -17.073 -5.127 -1.402 1.00 52.32 N ATOM 844 CA PHE A 53 -18.379 -5.680 -1.100 1.00 44.22 C ATOM 845 C PHE A 53 -18.319 -6.667 0.055 1.00 42.32 C ATOM 846 O PHE A 53 -17.408 -7.489 0.148 1.00 24.11 O ATOM 847 CB PHE A 53 -18.966 -6.356 -2.334 1.00 24.31 C ATOM 848 CG PHE A 53 -19.950 -5.487 -3.051 1.00 62.33 C ATOM 849 CD1 PHE A 53 -21.270 -5.467 -2.644 1.00 11.44 C ATOM 850 CD2 PHE A 53 -19.562 -4.685 -4.113 1.00 63.34 C ATOM 851 CE1 PHE A 53 -22.191 -4.657 -3.275 1.00 24.52 C ATOM 852 CE2 PHE A 53 -20.481 -3.875 -4.754 1.00 64.41 C ATOM 853 CZ PHE A 53 -21.798 -3.863 -4.333 1.00 71.42 C ATOM 0 H PHE A 53 -16.513 -5.706 -2.028 1.00 52.32 H new ATOM 0 HA PHE A 53 -19.024 -4.854 -0.800 1.00 44.22 H new ATOM 0 HB2 PHE A 53 -18.159 -6.624 -3.016 1.00 24.31 H new ATOM 0 HB3 PHE A 53 -19.455 -7.284 -2.038 1.00 24.31 H new ATOM 0 HD1 PHE A 53 -21.585 -6.093 -1.822 1.00 11.44 H new ATOM 0 HD2 PHE A 53 -18.533 -4.693 -4.442 1.00 63.34 H new ATOM 0 HE1 PHE A 53 -23.218 -4.644 -2.942 1.00 24.52 H new ATOM 0 HE2 PHE A 53 -20.171 -3.253 -5.581 1.00 64.41 H new ATOM 0 HZ PHE A 53 -22.519 -3.232 -4.832 1.00 71.42 H new ATOM 863 N ARG A 54 -19.306 -6.571 0.926 1.00 4.24 N ATOM 864 CA ARG A 54 -19.405 -7.424 2.096 1.00 20.14 C ATOM 865 C ARG A 54 -20.866 -7.792 2.340 1.00 44.20 C ATOM 866 O ARG A 54 -21.643 -6.956 2.800 1.00 41.04 O ATOM 867 CB ARG A 54 -18.836 -6.683 3.307 1.00 35.21 C ATOM 868 CG ARG A 54 -19.184 -7.303 4.648 1.00 22.43 C ATOM 869 CD ARG A 54 -18.619 -8.705 4.797 1.00 11.03 C ATOM 870 NE ARG A 54 -18.770 -9.188 6.163 1.00 43.40 N ATOM 871 CZ ARG A 54 -17.855 -8.993 7.105 1.00 52.20 C ATOM 872 NH1 ARG A 54 -16.755 -8.321 6.810 1.00 65.12 N ATOM 873 NH2 ARG A 54 -18.048 -9.438 8.344 1.00 10.14 N ATOM 0 H ARG A 54 -20.066 -5.896 0.841 1.00 4.24 H new ATOM 0 HA ARG A 54 -18.836 -8.339 1.936 1.00 20.14 H new ATOM 0 HB2 ARG A 54 -17.751 -6.639 3.213 1.00 35.21 H new ATOM 0 HB3 ARG A 54 -19.199 -5.655 3.291 1.00 35.21 H new ATOM 0 HG2 ARG A 54 -18.800 -6.671 5.449 1.00 22.43 H new ATOM 0 HG3 ARG A 54 -20.268 -7.336 4.761 1.00 22.43 H new ATOM 0 HD2 ARG A 54 -19.129 -9.381 4.110 1.00 11.03 H new ATOM 0 HD3 ARG A 54 -17.564 -8.707 4.522 1.00 11.03 H new ATOM 0 HE ARG A 54 -19.618 -9.700 6.407 1.00 43.40 H new ATOM 0 HH11 ARG A 54 -16.616 -7.959 5.867 1.00 65.12 H new ATOM 0 HH12 ARG A 54 -16.045 -8.165 7.526 1.00 65.12 H new ATOM 0 HH21 ARG A 54 -18.907 -9.936 8.579 1.00 10.14 H new ATOM 0 HH22 ARG A 54 -17.337 -9.282 9.059 1.00 10.14 H new ATOM 887 N HIS A 55 -21.244 -9.029 2.010 1.00 34.22 N ATOM 888 CA HIS A 55 -22.635 -9.482 2.166 1.00 23.43 C ATOM 889 C HIS A 55 -23.591 -8.619 1.346 1.00 54.24 C ATOM 890 O HIS A 55 -24.755 -8.449 1.704 1.00 61.34 O ATOM 891 CB HIS A 55 -23.055 -9.463 3.641 1.00 32.04 C ATOM 892 CG HIS A 55 -22.727 -10.718 4.386 1.00 23.15 C ATOM 893 ND1 HIS A 55 -23.682 -11.584 4.874 1.00 31.41 N ATOM 894 CD2 HIS A 55 -21.528 -11.239 4.747 1.00 24.14 C ATOM 895 CE1 HIS A 55 -23.048 -12.581 5.501 1.00 45.22 C ATOM 896 NE2 HIS A 55 -21.740 -12.419 5.449 1.00 41.23 N ATOM 0 H HIS A 55 -20.612 -9.735 1.634 1.00 34.22 H new ATOM 0 HA HIS A 55 -22.688 -10.506 1.797 1.00 23.43 H new ATOM 0 HB2 HIS A 55 -22.568 -8.622 4.135 1.00 32.04 H new ATOM 0 HB3 HIS A 55 -24.129 -9.289 3.699 1.00 32.04 H new ATOM 0 HD1 HIS A 55 -24.692 -11.483 4.775 1.00 31.41 H new ATOM 0 HD2 HIS A 55 -20.564 -10.806 4.525 1.00 24.14 H new ATOM 0 HE1 HIS A 55 -23.542 -13.410 5.986 1.00 45.22 H new ATOM 904 N GLY A 56 -23.095 -8.085 0.240 1.00 4.23 N ATOM 905 CA GLY A 56 -23.907 -7.220 -0.594 1.00 3.41 C ATOM 906 C GLY A 56 -23.902 -5.783 -0.113 1.00 71.30 C ATOM 907 O GLY A 56 -24.500 -4.910 -0.739 1.00 5.42 O ATOM 0 H GLY A 56 -22.144 -8.235 -0.096 1.00 4.23 H new ATOM 0 HA2 GLY A 56 -23.539 -7.258 -1.619 1.00 3.41 H new ATOM 0 HA3 GLY A 56 -24.932 -7.592 -0.609 1.00 3.41 H new ATOM 911 N ASN A 57 -23.236 -5.538 1.007 1.00 71.20 N ATOM 912 CA ASN A 57 -23.107 -4.187 1.532 1.00 75.31 C ATOM 913 C ASN A 57 -21.772 -3.613 1.111 1.00 74.21 C ATOM 914 O ASN A 57 -20.946 -4.310 0.519 1.00 32.31 O ATOM 915 CB ASN A 57 -23.202 -4.155 3.063 1.00 23.15 C ATOM 916 CG ASN A 57 -24.352 -4.973 3.606 1.00 71.13 C ATOM 917 OD1 ASN A 57 -25.491 -4.512 3.674 1.00 43.35 O ATOM 918 ND2 ASN A 57 -24.046 -6.186 4.023 1.00 40.32 N ATOM 0 H ASN A 57 -22.778 -6.256 1.568 1.00 71.20 H new ATOM 0 HA ASN A 57 -23.928 -3.594 1.129 1.00 75.31 H new ATOM 0 HB2 ASN A 57 -22.269 -4.526 3.486 1.00 23.15 H new ATOM 0 HB3 ASN A 57 -23.312 -3.122 3.392 1.00 23.15 H new ATOM 0 HD21 ASN A 57 -24.768 -6.785 4.422 1.00 40.32 H new ATOM 0 HD22 ASN A 57 -23.087 -6.525 3.946 1.00 40.32 H new ATOM 925 N ILE A 58 -21.549 -2.359 1.440 1.00 61.11 N ATOM 926 CA ILE A 58 -20.319 -1.691 1.070 1.00 54.23 C ATOM 927 C ILE A 58 -19.528 -1.297 2.304 1.00 73.31 C ATOM 928 O ILE A 58 -20.017 -0.578 3.178 1.00 33.31 O ATOM 929 CB ILE A 58 -20.591 -0.452 0.193 1.00 20.45 C ATOM 930 CG1 ILE A 58 -21.130 -0.896 -1.166 1.00 73.43 C ATOM 931 CG2 ILE A 58 -19.328 0.387 0.026 1.00 33.34 C ATOM 932 CD1 ILE A 58 -20.150 -1.730 -1.959 1.00 61.52 C ATOM 0 H ILE A 58 -22.205 -1.780 1.964 1.00 61.11 H new ATOM 0 HA ILE A 58 -19.728 -2.395 0.485 1.00 54.23 H new ATOM 0 HB ILE A 58 -21.337 0.171 0.686 1.00 20.45 H new ATOM 0 HG12 ILE A 58 -22.045 -1.469 -1.016 1.00 73.43 H new ATOM 0 HG13 ILE A 58 -21.398 -0.014 -1.747 1.00 73.43 H new ATOM 0 HG21 ILE A 58 -19.547 1.254 -0.597 1.00 33.34 H new ATOM 0 HG22 ILE A 58 -18.981 0.721 1.004 1.00 33.34 H new ATOM 0 HG23 ILE A 58 -18.552 -0.214 -0.449 1.00 33.34 H new ATOM 0 HD11 ILE A 58 -20.598 -2.010 -2.912 1.00 61.52 H new ATOM 0 HD12 ILE A 58 -19.244 -1.152 -2.140 1.00 61.52 H new ATOM 0 HD13 ILE A 58 -19.900 -2.630 -1.397 1.00 61.52 H new ATOM 944 N VAL A 59 -18.317 -1.805 2.376 1.00 35.32 N ATOM 945 CA VAL A 59 -17.409 -1.478 3.464 1.00 54.14 C ATOM 946 C VAL A 59 -16.385 -0.451 2.993 1.00 23.22 C ATOM 947 O VAL A 59 -16.037 0.488 3.714 1.00 13.05 O ATOM 948 CB VAL A 59 -16.688 -2.740 3.996 1.00 25.33 C ATOM 949 CG1 VAL A 59 -15.656 -2.376 5.054 1.00 54.11 C ATOM 950 CG2 VAL A 59 -17.695 -3.733 4.562 1.00 35.22 C ATOM 0 H VAL A 59 -17.932 -2.453 1.689 1.00 35.32 H new ATOM 0 HA VAL A 59 -17.996 -1.058 4.281 1.00 54.14 H new ATOM 0 HB VAL A 59 -16.168 -3.206 3.159 1.00 25.33 H new ATOM 0 HG11 VAL A 59 -15.165 -3.282 5.410 1.00 54.11 H new ATOM 0 HG12 VAL A 59 -14.913 -1.706 4.622 1.00 54.11 H new ATOM 0 HG13 VAL A 59 -16.150 -1.879 5.889 1.00 54.11 H new ATOM 0 HG21 VAL A 59 -17.169 -4.614 4.931 1.00 35.22 H new ATOM 0 HG22 VAL A 59 -18.244 -3.268 5.381 1.00 35.22 H new ATOM 0 HG23 VAL A 59 -18.394 -4.029 3.779 1.00 35.22 H new ATOM 960 N ALA A 60 -15.923 -0.621 1.765 1.00 74.02 N ATOM 961 CA ALA A 60 -14.949 0.289 1.188 1.00 4.41 C ATOM 962 C ALA A 60 -15.468 0.866 -0.113 1.00 43.03 C ATOM 963 O ALA A 60 -16.084 0.157 -0.900 1.00 44.41 O ATOM 964 CB ALA A 60 -13.632 -0.429 0.947 1.00 31.32 C ATOM 0 H ALA A 60 -16.208 -1.382 1.148 1.00 74.02 H new ATOM 0 HA ALA A 60 -14.783 1.104 1.892 1.00 4.41 H new ATOM 0 HB1 ALA A 60 -12.912 0.266 0.514 1.00 31.32 H new ATOM 0 HB2 ALA A 60 -13.246 -0.809 1.893 1.00 31.32 H new ATOM 0 HB3 ALA A 60 -13.791 -1.260 0.260 1.00 31.32 H new ATOM 970 N TYR A 61 -15.228 2.145 -0.337 1.00 52.43 N ATOM 971 CA TYR A 61 -15.594 2.772 -1.592 1.00 53.43 C ATOM 972 C TYR A 61 -14.603 3.879 -1.915 1.00 32.41 C ATOM 973 O TYR A 61 -14.211 4.641 -1.031 1.00 63.12 O ATOM 974 CB TYR A 61 -17.018 3.336 -1.535 1.00 72.34 C ATOM 975 CG TYR A 61 -17.538 3.784 -2.887 1.00 10.33 C ATOM 976 CD1 TYR A 61 -18.037 2.859 -3.795 1.00 62.41 C ATOM 977 CD2 TYR A 61 -17.521 5.125 -3.260 1.00 74.12 C ATOM 978 CE1 TYR A 61 -18.507 3.252 -5.032 1.00 22.30 C ATOM 979 CE2 TYR A 61 -17.991 5.524 -4.498 1.00 31.21 C ATOM 980 CZ TYR A 61 -18.481 4.583 -5.379 1.00 65.42 C ATOM 981 OH TYR A 61 -18.953 4.973 -6.608 1.00 13.14 O ATOM 0 H TYR A 61 -14.781 2.769 0.334 1.00 52.43 H new ATOM 0 HA TYR A 61 -15.566 2.017 -2.378 1.00 53.43 H new ATOM 0 HB2 TYR A 61 -17.687 2.577 -1.129 1.00 72.34 H new ATOM 0 HB3 TYR A 61 -17.040 4.181 -0.846 1.00 72.34 H new ATOM 0 HD1 TYR A 61 -18.058 1.813 -3.528 1.00 62.41 H new ATOM 0 HD2 TYR A 61 -17.135 5.864 -2.573 1.00 74.12 H new ATOM 0 HE1 TYR A 61 -18.893 2.518 -5.724 1.00 22.30 H new ATOM 0 HE2 TYR A 61 -17.974 6.568 -4.774 1.00 31.21 H new ATOM 0 HH TYR A 61 -19.697 5.600 -6.489 1.00 13.14 H new ATOM 991 N GLY A 62 -14.181 3.938 -3.166 1.00 64.11 N ATOM 992 CA GLY A 62 -13.265 4.968 -3.599 1.00 4.53 C ATOM 993 C GLY A 62 -13.444 5.292 -5.066 1.00 12.40 C ATOM 994 O GLY A 62 -13.062 4.508 -5.931 1.00 61.14 O ATOM 0 H GLY A 62 -14.460 3.283 -3.896 1.00 64.11 H new ATOM 0 HA2 GLY A 62 -13.422 5.868 -3.005 1.00 4.53 H new ATOM 0 HA3 GLY A 62 -12.240 4.643 -3.420 1.00 4.53 H new ATOM 998 N LYS A 63 -14.056 6.431 -5.344 1.00 51.41 N ATOM 999 CA LYS A 63 -14.235 6.888 -6.714 1.00 72.32 C ATOM 1000 C LYS A 63 -13.089 7.812 -7.106 1.00 0.02 C ATOM 1001 O LYS A 63 -12.874 8.842 -6.465 1.00 11.44 O ATOM 1002 CB LYS A 63 -15.565 7.630 -6.853 1.00 21.42 C ATOM 1003 CG LYS A 63 -15.848 8.122 -8.263 1.00 45.43 C ATOM 1004 CD LYS A 63 -16.854 7.234 -8.979 1.00 50.44 C ATOM 1005 CE LYS A 63 -18.240 7.372 -8.373 1.00 73.24 C ATOM 1006 NZ LYS A 63 -19.256 6.583 -9.118 1.00 3.14 N ATOM 0 H LYS A 63 -14.439 7.059 -4.637 1.00 51.41 H new ATOM 0 HA LYS A 63 -14.241 6.021 -7.375 1.00 72.32 H new ATOM 0 HB2 LYS A 63 -16.373 6.970 -6.539 1.00 21.42 H new ATOM 0 HB3 LYS A 63 -15.568 8.482 -6.173 1.00 21.42 H new ATOM 0 HG2 LYS A 63 -16.228 9.143 -8.222 1.00 45.43 H new ATOM 0 HG3 LYS A 63 -14.919 8.150 -8.832 1.00 45.43 H new ATOM 0 HD2 LYS A 63 -16.889 7.499 -10.036 1.00 50.44 H new ATOM 0 HD3 LYS A 63 -16.531 6.195 -8.921 1.00 50.44 H new ATOM 0 HE2 LYS A 63 -18.216 7.042 -7.334 1.00 73.24 H new ATOM 0 HE3 LYS A 63 -18.530 8.423 -8.367 1.00 73.24 H new ATOM 0 HZ1 LYS A 63 -20.184 6.692 -8.661 1.00 3.14 H new ATOM 0 HZ2 LYS A 63 -19.311 6.925 -10.099 1.00 3.14 H new ATOM 0 HZ3 LYS A 63 -18.985 5.579 -9.116 1.00 3.14 H new ATOM 1020 N SER A 64 -12.347 7.449 -8.142 1.00 72.44 N ATOM 1021 CA SER A 64 -11.229 8.269 -8.587 1.00 63.41 C ATOM 1022 C SER A 64 -10.980 8.128 -10.081 1.00 65.14 C ATOM 1023 O SER A 64 -11.326 7.121 -10.691 1.00 60.22 O ATOM 1024 CB SER A 64 -9.956 7.907 -7.824 1.00 72.23 C ATOM 1025 OG SER A 64 -10.113 8.133 -6.438 1.00 51.35 O ATOM 0 H SER A 64 -12.496 6.600 -8.686 1.00 72.44 H new ATOM 0 HA SER A 64 -11.495 9.306 -8.381 1.00 63.41 H new ATOM 0 HB2 SER A 64 -9.708 6.860 -7.999 1.00 72.23 H new ATOM 0 HB3 SER A 64 -9.122 8.499 -8.200 1.00 72.23 H new ATOM 0 HG SER A 64 -9.255 8.409 -6.052 1.00 51.35 H new ATOM 1031 N ARG A 65 -10.377 9.157 -10.657 1.00 65.45 N ATOM 1032 CA ARG A 65 -9.984 9.145 -12.060 1.00 15.24 C ATOM 1033 C ARG A 65 -8.858 8.141 -12.292 1.00 15.03 C ATOM 1034 O ARG A 65 -8.666 7.644 -13.402 1.00 32.34 O ATOM 1035 CB ARG A 65 -9.546 10.548 -12.481 1.00 54.21 C ATOM 1036 CG ARG A 65 -8.468 11.136 -11.583 1.00 55.31 C ATOM 1037 CD ARG A 65 -8.283 12.623 -11.817 1.00 4.12 C ATOM 1038 NE ARG A 65 -7.345 13.204 -10.860 1.00 4.23 N ATOM 1039 CZ ARG A 65 -7.628 14.250 -10.089 1.00 31.31 C ATOM 1040 NH1 ARG A 65 -8.834 14.809 -10.142 1.00 21.34 N ATOM 1041 NH2 ARG A 65 -6.710 14.724 -9.256 1.00 55.00 N ATOM 0 H ARG A 65 -10.146 10.022 -10.168 1.00 65.45 H new ATOM 0 HA ARG A 65 -10.838 8.842 -12.666 1.00 15.24 H new ATOM 0 HB2 ARG A 65 -9.177 10.514 -13.506 1.00 54.21 H new ATOM 0 HB3 ARG A 65 -10.413 11.209 -12.477 1.00 54.21 H new ATOM 0 HG2 ARG A 65 -8.731 10.963 -10.539 1.00 55.31 H new ATOM 0 HG3 ARG A 65 -7.525 10.620 -11.763 1.00 55.31 H new ATOM 0 HD2 ARG A 65 -7.920 12.790 -12.831 1.00 4.12 H new ATOM 0 HD3 ARG A 65 -9.246 13.127 -11.736 1.00 4.12 H new ATOM 0 HE ARG A 65 -6.419 12.783 -10.778 1.00 4.23 H new ATOM 0 HH11 ARG A 65 -9.542 14.435 -10.774 1.00 21.34 H new ATOM 0 HH12 ARG A 65 -9.051 15.611 -9.551 1.00 21.34 H new ATOM 0 HH21 ARG A 65 -5.790 14.286 -9.208 1.00 55.00 H new ATOM 0 HH22 ARG A 65 -6.924 15.526 -8.664 1.00 55.00 H new ATOM 1055 N LYS A 66 -8.125 7.846 -11.228 1.00 10.20 N ATOM 1056 CA LYS A 66 -7.029 6.893 -11.281 1.00 5.40 C ATOM 1057 C LYS A 66 -7.430 5.577 -10.620 1.00 44.43 C ATOM 1058 O LYS A 66 -7.893 5.563 -9.477 1.00 34.21 O ATOM 1059 CB LYS A 66 -5.792 7.476 -10.593 1.00 35.12 C ATOM 1060 CG LYS A 66 -5.066 8.528 -11.416 1.00 32.25 C ATOM 1061 CD LYS A 66 -4.295 7.891 -12.562 1.00 14.14 C ATOM 1062 CE LYS A 66 -3.523 8.919 -13.376 1.00 44.02 C ATOM 1063 NZ LYS A 66 -4.420 9.763 -14.207 1.00 63.44 N ATOM 0 H LYS A 66 -8.273 8.260 -10.307 1.00 10.20 H new ATOM 0 HA LYS A 66 -6.792 6.695 -12.326 1.00 5.40 H new ATOM 0 HB2 LYS A 66 -6.091 7.916 -9.642 1.00 35.12 H new ATOM 0 HB3 LYS A 66 -5.099 6.666 -10.365 1.00 35.12 H new ATOM 0 HG2 LYS A 66 -5.785 9.245 -11.812 1.00 32.25 H new ATOM 0 HG3 LYS A 66 -4.380 9.084 -10.777 1.00 32.25 H new ATOM 0 HD2 LYS A 66 -3.602 7.150 -12.164 1.00 14.14 H new ATOM 0 HD3 LYS A 66 -4.989 7.360 -13.214 1.00 14.14 H new ATOM 0 HE2 LYS A 66 -2.948 9.555 -12.703 1.00 44.02 H new ATOM 0 HE3 LYS A 66 -2.808 8.408 -14.020 1.00 44.02 H new ATOM 0 HZ1 LYS A 66 -3.852 10.449 -14.744 1.00 63.44 H new ATOM 0 HZ2 LYS A 66 -4.951 9.160 -14.867 1.00 63.44 H new ATOM 0 HZ3 LYS A 66 -5.086 10.272 -13.592 1.00 63.44 H new ATOM 1077 N VAL A 67 -7.257 4.482 -11.354 1.00 63.13 N ATOM 1078 CA VAL A 67 -7.575 3.145 -10.862 1.00 53.42 C ATOM 1079 C VAL A 67 -6.812 2.839 -9.568 1.00 34.54 C ATOM 1080 O VAL A 67 -7.352 2.234 -8.642 1.00 55.42 O ATOM 1081 CB VAL A 67 -7.265 2.075 -11.947 1.00 62.21 C ATOM 1082 CG1 VAL A 67 -5.812 2.116 -12.375 1.00 70.23 C ATOM 1083 CG2 VAL A 67 -7.632 0.679 -11.480 1.00 21.42 C ATOM 0 H VAL A 67 -6.892 4.496 -12.307 1.00 63.13 H new ATOM 0 HA VAL A 67 -8.642 3.112 -10.640 1.00 53.42 H new ATOM 0 HB VAL A 67 -7.883 2.320 -12.811 1.00 62.21 H new ATOM 0 HG11 VAL A 67 -5.635 1.354 -13.134 1.00 70.23 H new ATOM 0 HG12 VAL A 67 -5.582 3.099 -12.787 1.00 70.23 H new ATOM 0 HG13 VAL A 67 -5.173 1.925 -11.513 1.00 70.23 H new ATOM 0 HG21 VAL A 67 -7.401 -0.040 -12.266 1.00 21.42 H new ATOM 0 HG22 VAL A 67 -7.062 0.433 -10.584 1.00 21.42 H new ATOM 0 HG23 VAL A 67 -8.698 0.639 -11.254 1.00 21.42 H new ATOM 1093 N ALA A 68 -5.561 3.280 -9.503 1.00 15.00 N ATOM 1094 CA ALA A 68 -4.733 3.086 -8.323 1.00 13.32 C ATOM 1095 C ALA A 68 -5.207 3.943 -7.151 1.00 43.53 C ATOM 1096 O ALA A 68 -5.254 3.471 -6.016 1.00 52.23 O ATOM 1097 CB ALA A 68 -3.280 3.394 -8.643 1.00 31.10 C ATOM 0 H ALA A 68 -5.096 3.778 -10.262 1.00 15.00 H new ATOM 0 HA ALA A 68 -4.822 2.041 -8.027 1.00 13.32 H new ATOM 0 HB1 ALA A 68 -2.671 3.245 -7.751 1.00 31.10 H new ATOM 0 HB2 ALA A 68 -2.933 2.730 -9.434 1.00 31.10 H new ATOM 0 HB3 ALA A 68 -3.192 4.429 -8.973 1.00 31.10 H new ATOM 1103 N ASN A 69 -5.560 5.195 -7.429 1.00 50.40 N ATOM 1104 CA ASN A 69 -6.002 6.123 -6.383 1.00 64.02 C ATOM 1105 C ASN A 69 -7.306 5.642 -5.766 1.00 41.41 C ATOM 1106 O ASN A 69 -7.459 5.620 -4.546 1.00 70.13 O ATOM 1107 CB ASN A 69 -6.195 7.531 -6.952 1.00 45.52 C ATOM 1108 CG ASN A 69 -6.370 8.583 -5.870 1.00 62.12 C ATOM 1109 OD1 ASN A 69 -7.607 8.862 -5.485 1.00 24.31 O flip ATOM 1110 ND2 ASN A 69 -5.392 9.155 -5.389 1.00 2.42 N flip ATOM 0 H ASN A 69 -5.550 5.594 -8.368 1.00 50.40 H new ATOM 0 HA ASN A 69 -5.230 6.156 -5.614 1.00 64.02 H new ATOM 0 HB2 ASN A 69 -5.334 7.790 -7.569 1.00 45.52 H new ATOM 0 HB3 ASN A 69 -7.068 7.538 -7.604 1.00 45.52 H new ATOM 0 HD21 ASN A 69 -4.453 8.916 -5.708 1.00 2.42 H new ATOM 0 HD22 ASN A 69 -5.520 9.868 -4.671 1.00 2.42 H new ATOM 1117 N ALA A 70 -8.233 5.249 -6.628 1.00 33.24 N ATOM 1118 CA ALA A 70 -9.516 4.710 -6.198 1.00 43.21 C ATOM 1119 C ALA A 70 -9.308 3.474 -5.335 1.00 1.14 C ATOM 1120 O ALA A 70 -9.939 3.293 -4.290 1.00 2.13 O ATOM 1121 CB ALA A 70 -10.342 4.353 -7.420 1.00 2.20 C ATOM 0 H ALA A 70 -8.118 5.294 -7.641 1.00 33.24 H new ATOM 0 HA ALA A 70 -10.040 5.461 -5.607 1.00 43.21 H new ATOM 0 HB1 ALA A 70 -11.304 3.949 -7.104 1.00 2.20 H new ATOM 0 HB2 ALA A 70 -10.504 5.246 -8.023 1.00 2.20 H new ATOM 0 HB3 ALA A 70 -9.812 3.607 -8.012 1.00 2.20 H new ATOM 1127 N LYS A 71 -8.395 2.640 -5.800 1.00 53.13 N ATOM 1128 CA LYS A 71 -8.015 1.411 -5.132 1.00 64.54 C ATOM 1129 C LYS A 71 -7.413 1.719 -3.765 1.00 13.35 C ATOM 1130 O LYS A 71 -7.680 1.033 -2.781 1.00 51.30 O ATOM 1131 CB LYS A 71 -6.995 0.718 -6.028 1.00 0.11 C ATOM 1132 CG LYS A 71 -6.836 -0.770 -5.826 1.00 2.40 C ATOM 1133 CD LYS A 71 -6.261 -1.397 -7.089 1.00 51.24 C ATOM 1134 CE LYS A 71 -4.980 -0.709 -7.533 1.00 73.53 C ATOM 1135 NZ LYS A 71 -3.877 -0.891 -6.550 1.00 12.41 N ATOM 0 H LYS A 71 -7.888 2.803 -6.670 1.00 53.13 H new ATOM 0 HA LYS A 71 -8.880 0.769 -4.968 1.00 64.54 H new ATOM 0 HB2 LYS A 71 -7.274 0.895 -7.067 1.00 0.11 H new ATOM 0 HB3 LYS A 71 -6.025 1.191 -5.873 1.00 0.11 H new ATOM 0 HG2 LYS A 71 -6.178 -0.964 -4.979 1.00 2.40 H new ATOM 0 HG3 LYS A 71 -7.800 -1.221 -5.590 1.00 2.40 H new ATOM 0 HD2 LYS A 71 -6.062 -2.454 -6.911 1.00 51.24 H new ATOM 0 HD3 LYS A 71 -6.999 -1.342 -7.890 1.00 51.24 H new ATOM 0 HE2 LYS A 71 -4.672 -1.106 -8.500 1.00 73.53 H new ATOM 0 HE3 LYS A 71 -5.170 0.355 -7.671 1.00 73.53 H new ATOM 0 HZ1 LYS A 71 -3.023 -0.406 -6.893 1.00 12.41 H new ATOM 0 HZ2 LYS A 71 -4.159 -0.489 -5.633 1.00 12.41 H new ATOM 0 HZ3 LYS A 71 -3.677 -1.905 -6.437 1.00 12.41 H new ATOM 1149 N TYR A 72 -6.603 2.769 -3.733 1.00 25.22 N ATOM 1150 CA TYR A 72 -5.956 3.236 -2.514 1.00 25.44 C ATOM 1151 C TYR A 72 -6.992 3.605 -1.457 1.00 62.31 C ATOM 1152 O TYR A 72 -6.901 3.174 -0.309 1.00 43.42 O ATOM 1153 CB TYR A 72 -5.066 4.438 -2.852 1.00 65.32 C ATOM 1154 CG TYR A 72 -4.564 5.219 -1.661 1.00 21.34 C ATOM 1155 CD1 TYR A 72 -3.461 4.794 -0.934 1.00 34.12 C ATOM 1156 CD2 TYR A 72 -5.194 6.396 -1.276 1.00 43.33 C ATOM 1157 CE1 TYR A 72 -3.000 5.520 0.148 1.00 14.12 C ATOM 1158 CE2 TYR A 72 -4.738 7.130 -0.201 1.00 5.31 C ATOM 1159 CZ TYR A 72 -3.641 6.689 0.509 1.00 1.35 C ATOM 1160 OH TYR A 72 -3.181 7.420 1.580 1.00 14.11 O ATOM 0 H TYR A 72 -6.375 3.324 -4.558 1.00 25.22 H new ATOM 0 HA TYR A 72 -5.341 2.437 -2.101 1.00 25.44 H new ATOM 0 HB2 TYR A 72 -4.207 4.085 -3.423 1.00 65.32 H new ATOM 0 HB3 TYR A 72 -5.625 5.113 -3.500 1.00 65.32 H new ATOM 0 HD1 TYR A 72 -2.955 3.883 -1.218 1.00 34.12 H new ATOM 0 HD2 TYR A 72 -6.055 6.742 -1.828 1.00 43.33 H new ATOM 0 HE1 TYR A 72 -2.143 5.175 0.708 1.00 14.12 H new ATOM 0 HE2 TYR A 72 -5.237 8.045 0.083 1.00 5.31 H new ATOM 0 HH TYR A 72 -3.743 8.214 1.699 1.00 14.11 H new ATOM 1170 N ILE A 73 -7.981 4.390 -1.865 1.00 72.01 N ATOM 1171 CA ILE A 73 -9.055 4.816 -0.975 1.00 12.44 C ATOM 1172 C ILE A 73 -9.817 3.614 -0.428 1.00 11.43 C ATOM 1173 O ILE A 73 -10.024 3.497 0.780 1.00 2.54 O ATOM 1174 CB ILE A 73 -10.025 5.751 -1.714 1.00 24.04 C ATOM 1175 CG1 ILE A 73 -9.253 6.943 -2.272 1.00 51.54 C ATOM 1176 CG2 ILE A 73 -11.142 6.214 -0.787 1.00 21.24 C ATOM 1177 CD1 ILE A 73 -9.977 7.664 -3.378 1.00 42.43 C ATOM 0 H ILE A 73 -8.062 4.748 -2.817 1.00 72.01 H new ATOM 0 HA ILE A 73 -8.605 5.354 -0.140 1.00 12.44 H new ATOM 0 HB ILE A 73 -10.486 5.208 -2.539 1.00 24.04 H new ATOM 0 HG12 ILE A 73 -9.050 7.645 -1.463 1.00 51.54 H new ATOM 0 HG13 ILE A 73 -8.288 6.599 -2.644 1.00 51.54 H new ATOM 0 HG21 ILE A 73 -11.816 6.875 -1.332 1.00 21.24 H new ATOM 0 HG22 ILE A 73 -11.696 5.348 -0.425 1.00 21.24 H new ATOM 0 HG23 ILE A 73 -10.713 6.751 0.059 1.00 21.24 H new ATOM 0 HD11 ILE A 73 -9.370 8.499 -3.726 1.00 42.43 H new ATOM 0 HD12 ILE A 73 -10.156 6.976 -4.204 1.00 42.43 H new ATOM 0 HD13 ILE A 73 -10.930 8.039 -3.005 1.00 42.43 H new ATOM 1189 N MET A 74 -10.216 2.724 -1.330 1.00 51.53 N ATOM 1190 CA MET A 74 -10.870 1.472 -0.958 1.00 32.52 C ATOM 1191 C MET A 74 -10.058 0.733 0.106 1.00 62.24 C ATOM 1192 O MET A 74 -10.581 0.350 1.161 1.00 42.44 O ATOM 1193 CB MET A 74 -11.031 0.584 -2.196 1.00 1.11 C ATOM 1194 CG MET A 74 -11.556 -0.809 -1.890 1.00 74.43 C ATOM 1195 SD MET A 74 -11.505 -1.901 -3.315 1.00 45.33 S ATOM 1196 CE MET A 74 -9.747 -2.224 -3.374 1.00 53.34 C ATOM 0 H MET A 74 -10.097 2.848 -2.335 1.00 51.53 H new ATOM 0 HA MET A 74 -11.852 1.703 -0.546 1.00 32.52 H new ATOM 0 HB2 MET A 74 -11.710 1.072 -2.895 1.00 1.11 H new ATOM 0 HB3 MET A 74 -10.067 0.496 -2.696 1.00 1.11 H new ATOM 0 HG2 MET A 74 -10.967 -1.245 -1.083 1.00 74.43 H new ATOM 0 HG3 MET A 74 -12.583 -0.735 -1.532 1.00 74.43 H new ATOM 0 HE1 MET A 74 -9.558 -3.092 -4.005 1.00 53.34 H new ATOM 0 HE2 MET A 74 -9.231 -1.357 -3.786 1.00 53.34 H new ATOM 0 HE3 MET A 74 -9.379 -2.420 -2.367 1.00 53.34 H new ATOM 1206 N LYS A 75 -8.774 0.555 -0.174 1.00 51.44 N ATOM 1207 CA LYS A 75 -7.877 -0.142 0.732 1.00 40.53 C ATOM 1208 C LYS A 75 -7.824 0.534 2.097 1.00 34.12 C ATOM 1209 O LYS A 75 -7.991 -0.122 3.122 1.00 22.23 O ATOM 1210 CB LYS A 75 -6.481 -0.222 0.119 1.00 43.12 C ATOM 1211 CG LYS A 75 -6.398 -1.213 -1.027 1.00 22.13 C ATOM 1212 CD LYS A 75 -5.210 -0.943 -1.926 1.00 12.42 C ATOM 1213 CE LYS A 75 -5.057 -2.037 -2.967 1.00 23.45 C ATOM 1214 NZ LYS A 75 -4.533 -3.304 -2.387 1.00 52.32 N ATOM 0 H LYS A 75 -8.329 0.888 -1.030 1.00 51.44 H new ATOM 0 HA LYS A 75 -8.261 -1.151 0.882 1.00 40.53 H new ATOM 0 HB2 LYS A 75 -6.189 0.765 -0.239 1.00 43.12 H new ATOM 0 HB3 LYS A 75 -5.766 -0.506 0.891 1.00 43.12 H new ATOM 0 HG2 LYS A 75 -6.327 -2.225 -0.627 1.00 22.13 H new ATOM 0 HG3 LYS A 75 -7.315 -1.166 -1.614 1.00 22.13 H new ATOM 0 HD2 LYS A 75 -5.335 0.020 -2.421 1.00 12.42 H new ATOM 0 HD3 LYS A 75 -4.302 -0.877 -1.326 1.00 12.42 H new ATOM 0 HE2 LYS A 75 -6.023 -2.227 -3.435 1.00 23.45 H new ATOM 0 HE3 LYS A 75 -4.384 -1.695 -3.753 1.00 23.45 H new ATOM 0 HZ1 LYS A 75 -3.955 -3.798 -3.097 1.00 52.32 H new ATOM 0 HZ2 LYS A 75 -3.949 -3.089 -1.554 1.00 52.32 H new ATOM 0 HZ3 LYS A 75 -5.328 -3.912 -2.105 1.00 52.32 H new ATOM 1228 N GLN A 76 -7.625 1.849 2.101 1.00 0.43 N ATOM 1229 CA GLN A 76 -7.532 2.617 3.344 1.00 42.22 C ATOM 1230 C GLN A 76 -8.802 2.486 4.185 1.00 70.01 C ATOM 1231 O GLN A 76 -8.756 2.609 5.411 1.00 3.22 O ATOM 1232 CB GLN A 76 -7.255 4.092 3.039 1.00 63.31 C ATOM 1233 CG GLN A 76 -5.856 4.347 2.498 1.00 2.30 C ATOM 1234 CD GLN A 76 -4.769 3.985 3.493 1.00 2.34 C ATOM 1235 OE1 GLN A 76 -4.961 4.084 4.705 1.00 45.10 O ATOM 1236 NE2 GLN A 76 -3.623 3.558 2.991 1.00 75.13 N ATOM 0 H GLN A 76 -7.524 2.409 1.255 1.00 0.43 H new ATOM 0 HA GLN A 76 -6.704 2.207 3.922 1.00 42.22 H new ATOM 0 HB2 GLN A 76 -7.987 4.449 2.314 1.00 63.31 H new ATOM 0 HB3 GLN A 76 -7.396 4.676 3.949 1.00 63.31 H new ATOM 0 HG2 GLN A 76 -5.713 3.770 1.584 1.00 2.30 H new ATOM 0 HG3 GLN A 76 -5.761 5.399 2.229 1.00 2.30 H new ATOM 0 HE21 GLN A 76 -3.503 3.490 1.980 1.00 75.13 H new ATOM 0 HE22 GLN A 76 -2.859 3.297 3.614 1.00 75.13 H new ATOM 1245 N ARG A 77 -9.928 2.241 3.522 1.00 14.34 N ATOM 1246 CA ARG A 77 -11.198 2.029 4.208 1.00 13.32 C ATOM 1247 C ARG A 77 -11.112 0.849 5.170 1.00 74.23 C ATOM 1248 O ARG A 77 -11.190 1.023 6.389 1.00 12.45 O ATOM 1249 CB ARG A 77 -12.316 1.782 3.198 1.00 71.34 C ATOM 1250 CG ARG A 77 -12.705 3.006 2.389 1.00 52.14 C ATOM 1251 CD ARG A 77 -13.523 3.974 3.219 1.00 23.42 C ATOM 1252 NE ARG A 77 -14.750 3.354 3.714 1.00 0.42 N ATOM 1253 CZ ARG A 77 -15.596 3.945 4.551 1.00 24.15 C ATOM 1254 NH1 ARG A 77 -15.335 5.163 5.008 1.00 53.24 N ATOM 1255 NH2 ARG A 77 -16.699 3.313 4.928 1.00 51.15 N ATOM 0 H ARG A 77 -9.986 2.184 2.505 1.00 14.34 H new ATOM 0 HA ARG A 77 -11.420 2.930 4.779 1.00 13.32 H new ATOM 0 HB2 ARG A 77 -12.005 0.992 2.514 1.00 71.34 H new ATOM 0 HB3 ARG A 77 -13.195 1.416 3.728 1.00 71.34 H new ATOM 0 HG2 ARG A 77 -11.807 3.504 2.024 1.00 52.14 H new ATOM 0 HG3 ARG A 77 -13.277 2.700 1.514 1.00 52.14 H new ATOM 0 HD2 ARG A 77 -12.927 4.326 4.061 1.00 23.42 H new ATOM 0 HD3 ARG A 77 -13.773 4.848 2.618 1.00 23.42 H new ATOM 0 HE ARG A 77 -14.971 2.410 3.398 1.00 0.42 H new ATOM 0 HH11 ARG A 77 -14.485 5.646 4.717 1.00 53.24 H new ATOM 0 HH12 ARG A 77 -15.984 5.617 5.650 1.00 53.24 H new ATOM 0 HH21 ARG A 77 -16.896 2.376 4.576 1.00 51.15 H new ATOM 0 HH22 ARG A 77 -17.351 3.764 5.570 1.00 51.15 H new ATOM 1269 N LEU A 78 -10.939 -0.357 4.626 1.00 43.32 N ATOM 1270 CA LEU A 78 -10.862 -1.548 5.480 1.00 33.55 C ATOM 1271 C LEU A 78 -9.596 -1.506 6.326 1.00 1.42 C ATOM 1272 O LEU A 78 -9.579 -2.005 7.449 1.00 54.31 O ATOM 1273 CB LEU A 78 -10.866 -2.862 4.687 1.00 25.15 C ATOM 1274 CG LEU A 78 -11.636 -2.876 3.369 1.00 74.25 C ATOM 1275 CD1 LEU A 78 -10.724 -2.509 2.206 1.00 14.14 C ATOM 1276 CD2 LEU A 78 -12.240 -4.247 3.142 1.00 44.54 C ATOM 0 H LEU A 78 -10.851 -0.536 3.626 1.00 43.32 H new ATOM 0 HA LEU A 78 -11.755 -1.528 6.105 1.00 33.55 H new ATOM 0 HB2 LEU A 78 -9.831 -3.134 4.477 1.00 25.15 H new ATOM 0 HB3 LEU A 78 -11.277 -3.642 5.327 1.00 25.15 H new ATOM 0 HG LEU A 78 -12.434 -2.135 3.426 1.00 74.25 H new ATOM 0 HD11 LEU A 78 -11.294 -2.525 1.277 1.00 14.14 H new ATOM 0 HD12 LEU A 78 -10.317 -1.510 2.364 1.00 14.14 H new ATOM 0 HD13 LEU A 78 -9.907 -3.228 2.143 1.00 14.14 H new ATOM 0 HD21 LEU A 78 -12.788 -4.252 2.200 1.00 44.54 H new ATOM 0 HD22 LEU A 78 -11.446 -4.993 3.103 1.00 44.54 H new ATOM 0 HD23 LEU A 78 -12.921 -4.485 3.959 1.00 44.54 H new ATOM 1288 N LEU A 79 -8.544 -0.906 5.769 1.00 52.23 N ATOM 1289 CA LEU A 79 -7.251 -0.795 6.444 1.00 62.32 C ATOM 1290 C LEU A 79 -7.426 -0.217 7.846 1.00 11.10 C ATOM 1291 O LEU A 79 -6.913 -0.764 8.819 1.00 15.42 O ATOM 1292 CB LEU A 79 -6.297 0.070 5.594 1.00 32.14 C ATOM 1293 CG LEU A 79 -4.844 0.205 6.082 1.00 45.51 C ATOM 1294 CD1 LEU A 79 -4.716 1.302 7.127 1.00 20.24 C ATOM 1295 CD2 LEU A 79 -4.331 -1.121 6.625 1.00 22.30 C ATOM 0 H LEU A 79 -8.564 -0.485 4.840 1.00 52.23 H new ATOM 0 HA LEU A 79 -6.814 -1.788 6.552 1.00 62.32 H new ATOM 0 HB2 LEU A 79 -6.277 -0.342 4.585 1.00 32.14 H new ATOM 0 HB3 LEU A 79 -6.723 1.071 5.522 1.00 32.14 H new ATOM 0 HG LEU A 79 -4.229 0.484 5.227 1.00 45.51 H new ATOM 0 HD11 LEU A 79 -3.679 1.374 7.453 1.00 20.24 H new ATOM 0 HD12 LEU A 79 -5.028 2.253 6.696 1.00 20.24 H new ATOM 0 HD13 LEU A 79 -5.350 1.066 7.982 1.00 20.24 H new ATOM 0 HD21 LEU A 79 -3.302 -1.002 6.964 1.00 22.30 H new ATOM 0 HD22 LEU A 79 -4.954 -1.437 7.461 1.00 22.30 H new ATOM 0 HD23 LEU A 79 -4.369 -1.875 5.839 1.00 22.30 H new ATOM 1307 N LYS A 80 -8.176 0.870 7.952 1.00 30.21 N ATOM 1308 CA LYS A 80 -8.419 1.486 9.248 1.00 32.54 C ATOM 1309 C LYS A 80 -9.328 0.616 10.100 1.00 13.14 C ATOM 1310 O LYS A 80 -9.189 0.580 11.318 1.00 40.33 O ATOM 1311 CB LYS A 80 -9.025 2.884 9.106 1.00 23.41 C ATOM 1312 CG LYS A 80 -8.018 4.009 9.304 1.00 24.22 C ATOM 1313 CD LYS A 80 -7.344 3.948 10.675 1.00 3.25 C ATOM 1314 CE LYS A 80 -8.352 3.995 11.816 1.00 2.23 C ATOM 1315 NZ LYS A 80 -7.688 4.149 13.142 1.00 71.14 N ATOM 0 H LYS A 80 -8.623 1.340 7.165 1.00 30.21 H new ATOM 0 HA LYS A 80 -7.452 1.582 9.742 1.00 32.54 H new ATOM 0 HB2 LYS A 80 -9.472 2.978 8.116 1.00 23.41 H new ATOM 0 HB3 LYS A 80 -9.830 2.997 9.832 1.00 23.41 H new ATOM 0 HG2 LYS A 80 -7.258 3.955 8.525 1.00 24.22 H new ATOM 0 HG3 LYS A 80 -8.522 4.969 9.191 1.00 24.22 H new ATOM 0 HD2 LYS A 80 -6.757 3.032 10.749 1.00 3.25 H new ATOM 0 HD3 LYS A 80 -6.648 4.781 10.773 1.00 3.25 H new ATOM 0 HE2 LYS A 80 -9.041 4.825 11.657 1.00 2.23 H new ATOM 0 HE3 LYS A 80 -8.947 3.082 11.812 1.00 2.23 H new ATOM 0 HZ1 LYS A 80 -8.383 3.991 13.899 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -6.919 3.455 13.228 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -7.298 5.110 13.226 1.00 71.14 H new ATOM 1329 N LEU A 81 -10.242 -0.097 9.459 1.00 50.13 N ATOM 1330 CA LEU A 81 -11.185 -0.941 10.169 1.00 11.14 C ATOM 1331 C LEU A 81 -10.481 -2.084 10.889 1.00 64.41 C ATOM 1332 O LEU A 81 -10.782 -2.365 12.045 1.00 44.04 O ATOM 1333 CB LEU A 81 -12.244 -1.468 9.202 1.00 33.21 C ATOM 1334 CG LEU A 81 -13.560 -0.690 9.221 1.00 1.31 C ATOM 1335 CD1 LEU A 81 -13.330 0.805 9.170 1.00 22.25 C ATOM 1336 CD2 LEU A 81 -14.451 -1.110 8.073 1.00 64.42 C ATOM 0 H LEU A 81 -10.349 -0.106 8.445 1.00 50.13 H new ATOM 0 HA LEU A 81 -11.677 -0.338 10.932 1.00 11.14 H new ATOM 0 HB2 LEU A 81 -11.838 -1.446 8.191 1.00 33.21 H new ATOM 0 HB3 LEU A 81 -12.449 -2.511 9.441 1.00 33.21 H new ATOM 0 HG LEU A 81 -14.056 -0.925 10.163 1.00 1.31 H new ATOM 0 HD11 LEU A 81 -14.290 1.322 9.185 1.00 22.25 H new ATOM 0 HD12 LEU A 81 -12.739 1.112 10.033 1.00 22.25 H new ATOM 0 HD13 LEU A 81 -12.795 1.060 8.255 1.00 22.25 H new ATOM 0 HD21 LEU A 81 -15.381 -0.543 8.108 1.00 64.42 H new ATOM 0 HD22 LEU A 81 -13.943 -0.916 7.128 1.00 64.42 H new ATOM 0 HD23 LEU A 81 -14.672 -2.174 8.154 1.00 64.42 H new ATOM 1348 N LEU A 82 -9.529 -2.723 10.223 1.00 53.23 N ATOM 1349 CA LEU A 82 -8.806 -3.840 10.825 1.00 41.34 C ATOM 1350 C LEU A 82 -7.729 -3.354 11.798 1.00 2.20 C ATOM 1351 O LEU A 82 -7.267 -4.107 12.654 1.00 11.40 O ATOM 1352 CB LEU A 82 -8.206 -4.738 9.739 1.00 21.23 C ATOM 1353 CG LEU A 82 -7.423 -4.023 8.638 1.00 53.31 C ATOM 1354 CD1 LEU A 82 -5.923 -4.117 8.869 1.00 35.42 C ATOM 1355 CD2 LEU A 82 -7.788 -4.594 7.284 1.00 23.31 C ATOM 0 H LEU A 82 -9.239 -2.491 9.273 1.00 53.23 H new ATOM 0 HA LEU A 82 -9.519 -4.429 11.402 1.00 41.34 H new ATOM 0 HB2 LEU A 82 -7.545 -5.461 10.217 1.00 21.23 H new ATOM 0 HB3 LEU A 82 -9.014 -5.303 9.275 1.00 21.23 H new ATOM 0 HG LEU A 82 -7.694 -2.968 8.664 1.00 53.31 H new ATOM 0 HD11 LEU A 82 -5.398 -3.598 8.067 1.00 35.42 H new ATOM 0 HD12 LEU A 82 -5.672 -3.656 9.825 1.00 35.42 H new ATOM 0 HD13 LEU A 82 -5.622 -5.164 8.881 1.00 35.42 H new ATOM 0 HD21 LEU A 82 -7.224 -4.077 6.507 1.00 23.31 H new ATOM 0 HD22 LEU A 82 -7.548 -5.657 7.261 1.00 23.31 H new ATOM 0 HD23 LEU A 82 -8.855 -4.459 7.108 1.00 23.31 H new ATOM 1367 N GLU A 83 -7.336 -2.096 11.671 1.00 75.11 N ATOM 1368 CA GLU A 83 -6.370 -1.505 12.590 1.00 71.33 C ATOM 1369 C GLU A 83 -7.059 -0.977 13.843 1.00 31.02 C ATOM 1370 O GLU A 83 -6.563 -1.142 14.957 1.00 23.20 O ATOM 1371 CB GLU A 83 -5.608 -0.369 11.913 1.00 23.33 C ATOM 1372 CG GLU A 83 -4.603 -0.840 10.881 1.00 25.14 C ATOM 1373 CD GLU A 83 -3.533 -1.730 11.482 1.00 34.31 C ATOM 1374 OE1 GLU A 83 -2.652 -1.208 12.194 1.00 61.40 O ATOM 1375 OE2 GLU A 83 -3.561 -2.955 11.244 1.00 70.20 O ATOM 0 H GLU A 83 -7.669 -1.464 10.943 1.00 75.11 H new ATOM 0 HA GLU A 83 -5.668 -2.288 12.877 1.00 71.33 H new ATOM 0 HB2 GLU A 83 -6.322 0.300 11.433 1.00 23.33 H new ATOM 0 HB3 GLU A 83 -5.088 0.213 12.674 1.00 23.33 H new ATOM 0 HG2 GLU A 83 -5.123 -1.384 10.092 1.00 25.14 H new ATOM 0 HG3 GLU A 83 -4.132 0.025 10.414 1.00 25.14 H new ATOM 1382 N ASP A 84 -8.206 -0.349 13.645 1.00 64.02 N ATOM 1383 CA ASP A 84 -8.949 0.268 14.737 1.00 24.03 C ATOM 1384 C ASP A 84 -9.872 -0.755 15.387 1.00 75.21 C ATOM 1385 O ASP A 84 -10.428 -0.515 16.458 1.00 30.43 O ATOM 1386 CB ASP A 84 -9.762 1.449 14.201 1.00 22.21 C ATOM 1387 CG ASP A 84 -9.971 2.540 15.229 1.00 73.13 C ATOM 1388 OD1 ASP A 84 -9.037 3.343 15.438 1.00 44.24 O ATOM 1389 OD2 ASP A 84 -11.073 2.623 15.807 1.00 1.14 O ATOM 0 H ASP A 84 -8.648 -0.251 12.731 1.00 64.02 H new ATOM 0 HA ASP A 84 -8.248 0.629 15.489 1.00 24.03 H new ATOM 0 HB2 ASP A 84 -9.254 1.868 13.333 1.00 22.21 H new ATOM 0 HB3 ASP A 84 -10.732 1.089 13.859 1.00 22.21 H new ATOM 1394 N LYS A 85 -10.023 -1.900 14.719 1.00 23.21 N ATOM 1395 CA LYS A 85 -10.838 -3.010 15.209 1.00 2.40 C ATOM 1396 C LYS A 85 -12.310 -2.623 15.305 1.00 33.43 C ATOM 1397 O LYS A 85 -13.025 -3.035 16.221 1.00 74.24 O ATOM 1398 CB LYS A 85 -10.300 -3.511 16.548 1.00 55.13 C ATOM 1399 CG LYS A 85 -8.895 -4.078 16.433 1.00 74.32 C ATOM 1400 CD LYS A 85 -8.865 -5.273 15.492 1.00 73.45 C ATOM 1401 CE LYS A 85 -7.457 -5.830 15.317 1.00 71.42 C ATOM 1402 NZ LYS A 85 -6.809 -6.159 16.612 1.00 52.45 N ATOM 0 H LYS A 85 -9.581 -2.083 13.818 1.00 23.21 H new ATOM 0 HA LYS A 85 -10.772 -3.826 14.489 1.00 2.40 H new ATOM 0 HB2 LYS A 85 -10.300 -2.691 17.266 1.00 55.13 H new ATOM 0 HB3 LYS A 85 -10.967 -4.278 16.940 1.00 55.13 H new ATOM 0 HG2 LYS A 85 -8.216 -3.307 16.069 1.00 74.32 H new ATOM 0 HG3 LYS A 85 -8.538 -4.377 17.418 1.00 74.32 H new ATOM 0 HD2 LYS A 85 -9.518 -6.055 15.879 1.00 73.45 H new ATOM 0 HD3 LYS A 85 -9.261 -4.979 14.520 1.00 73.45 H new ATOM 0 HE2 LYS A 85 -7.499 -6.726 14.698 1.00 71.42 H new ATOM 0 HE3 LYS A 85 -6.846 -5.102 14.783 1.00 71.42 H new ATOM 0 HZ1 LYS A 85 -5.922 -6.672 16.436 1.00 52.45 H new ATOM 0 HZ2 LYS A 85 -6.604 -5.281 17.131 1.00 52.45 H new ATOM 0 HZ3 LYS A 85 -7.447 -6.755 17.178 1.00 52.45 H new ATOM 1416 N SER A 86 -12.761 -1.861 14.320 1.00 4.52 N ATOM 1417 CA SER A 86 -14.154 -1.470 14.231 1.00 21.12 C ATOM 1418 C SER A 86 -14.978 -2.614 13.647 1.00 75.02 C ATOM 1419 O SER A 86 -14.594 -3.212 12.640 1.00 14.10 O ATOM 1420 CB SER A 86 -14.281 -0.220 13.364 1.00 45.10 C ATOM 1421 OG SER A 86 -13.491 0.838 13.882 1.00 72.44 O ATOM 0 H SER A 86 -12.175 -1.500 13.567 1.00 4.52 H new ATOM 0 HA SER A 86 -14.533 -1.245 15.228 1.00 21.12 H new ATOM 0 HB2 SER A 86 -13.969 -0.447 12.344 1.00 45.10 H new ATOM 0 HB3 SER A 86 -15.325 0.090 13.317 1.00 45.10 H new ATOM 0 HG SER A 86 -13.586 1.628 13.310 1.00 72.44 H new ATOM 1427 N ASN A 87 -16.123 -2.900 14.256 1.00 11.40 N ATOM 1428 CA ASN A 87 -16.914 -4.077 13.886 1.00 12.55 C ATOM 1429 C ASN A 87 -17.633 -3.892 12.557 1.00 50.42 C ATOM 1430 O ASN A 87 -18.410 -4.747 12.142 1.00 4.42 O ATOM 1431 CB ASN A 87 -17.939 -4.411 14.969 1.00 71.43 C ATOM 1432 CG ASN A 87 -19.016 -3.354 15.131 1.00 72.21 C ATOM 1433 OD1 ASN A 87 -18.849 -2.393 15.880 1.00 33.44 O ATOM 1434 ND2 ASN A 87 -20.140 -3.538 14.452 1.00 64.40 N ATOM 0 H ASN A 87 -16.527 -2.338 15.006 1.00 11.40 H new ATOM 0 HA ASN A 87 -16.209 -4.902 13.783 1.00 12.55 H new ATOM 0 HB2 ASN A 87 -18.410 -5.365 14.730 1.00 71.43 H new ATOM 0 HB3 ASN A 87 -17.422 -4.540 15.920 1.00 71.43 H new ATOM 0 HD21 ASN A 87 -20.905 -2.869 14.541 1.00 64.40 H new ATOM 0 HD22 ASN A 87 -20.240 -4.348 13.841 1.00 64.40 H new ATOM 1441 N LEU A 88 -17.373 -2.786 11.889 1.00 50.10 N ATOM 1442 CA LEU A 88 -18.011 -2.512 10.613 1.00 60.15 C ATOM 1443 C LEU A 88 -17.567 -3.513 9.553 1.00 71.12 C ATOM 1444 O LEU A 88 -18.393 -4.027 8.802 1.00 23.24 O ATOM 1445 CB LEU A 88 -17.753 -1.072 10.158 1.00 75.42 C ATOM 1446 CG LEU A 88 -18.440 0.005 11.012 1.00 52.13 C ATOM 1447 CD1 LEU A 88 -19.856 -0.425 11.374 1.00 13.23 C ATOM 1448 CD2 LEU A 88 -17.636 0.302 12.269 1.00 15.12 C ATOM 0 H LEU A 88 -16.727 -2.063 12.206 1.00 50.10 H new ATOM 0 HA LEU A 88 -19.086 -2.625 10.750 1.00 60.15 H new ATOM 0 HB2 LEU A 88 -16.678 -0.891 10.165 1.00 75.42 H new ATOM 0 HB3 LEU A 88 -18.088 -0.966 9.126 1.00 75.42 H new ATOM 0 HG LEU A 88 -18.494 0.920 10.422 1.00 52.13 H new ATOM 0 HD11 LEU A 88 -20.328 0.349 11.979 1.00 13.23 H new ATOM 0 HD12 LEU A 88 -20.434 -0.576 10.463 1.00 13.23 H new ATOM 0 HD13 LEU A 88 -19.820 -1.356 11.940 1.00 13.23 H new ATOM 0 HD21 LEU A 88 -18.145 1.068 12.854 1.00 15.12 H new ATOM 0 HD22 LEU A 88 -17.542 -0.607 12.864 1.00 15.12 H new ATOM 0 HD23 LEU A 88 -16.644 0.658 11.991 1.00 15.12 H new ATOM 1460 N LEU A 89 -16.274 -3.809 9.497 1.00 1.01 N ATOM 1461 CA LEU A 89 -15.799 -4.853 8.593 1.00 22.30 C ATOM 1462 C LEU A 89 -15.555 -6.156 9.351 1.00 60.34 C ATOM 1463 O LEU A 89 -15.449 -7.229 8.764 1.00 22.12 O ATOM 1464 CB LEU A 89 -14.517 -4.418 7.873 1.00 11.40 C ATOM 1465 CG LEU A 89 -13.833 -5.515 7.076 1.00 71.21 C ATOM 1466 CD1 LEU A 89 -14.507 -5.718 5.733 1.00 64.45 C ATOM 1467 CD2 LEU A 89 -12.360 -5.202 6.930 1.00 21.03 C ATOM 0 H LEU A 89 -15.549 -3.354 10.052 1.00 1.01 H new ATOM 0 HA LEU A 89 -16.575 -5.021 7.846 1.00 22.30 H new ATOM 0 HB2 LEU A 89 -14.756 -3.594 7.200 1.00 11.40 H new ATOM 0 HB3 LEU A 89 -13.814 -4.033 8.612 1.00 11.40 H new ATOM 0 HG LEU A 89 -13.926 -6.456 7.617 1.00 71.21 H new ATOM 0 HD11 LEU A 89 -13.995 -6.509 5.185 1.00 64.45 H new ATOM 0 HD12 LEU A 89 -15.549 -5.999 5.887 1.00 64.45 H new ATOM 0 HD13 LEU A 89 -14.462 -4.792 5.160 1.00 64.45 H new ATOM 0 HD21 LEU A 89 -11.875 -5.993 6.357 1.00 21.03 H new ATOM 0 HD22 LEU A 89 -12.240 -4.252 6.410 1.00 21.03 H new ATOM 0 HD23 LEU A 89 -11.902 -5.136 7.917 1.00 21.03 H new ATOM 1479 N LEU A 90 -15.492 -6.061 10.658 1.00 71.35 N ATOM 1480 CA LEU A 90 -15.063 -7.184 11.482 1.00 45.23 C ATOM 1481 C LEU A 90 -16.197 -7.787 12.315 1.00 74.20 C ATOM 1482 O LEU A 90 -15.945 -8.393 13.355 1.00 4.13 O ATOM 1483 CB LEU A 90 -13.949 -6.700 12.396 1.00 21.41 C ATOM 1484 CG LEU A 90 -12.841 -5.936 11.673 1.00 52.20 C ATOM 1485 CD1 LEU A 90 -12.021 -5.134 12.659 1.00 43.31 C ATOM 1486 CD2 LEU A 90 -11.948 -6.885 10.896 1.00 74.01 C ATOM 0 H LEU A 90 -15.731 -5.219 11.182 1.00 71.35 H new ATOM 0 HA LEU A 90 -14.718 -7.978 10.820 1.00 45.23 H new ATOM 0 HB2 LEU A 90 -14.377 -6.057 13.165 1.00 21.41 H new ATOM 0 HB3 LEU A 90 -13.512 -7.559 12.905 1.00 21.41 H new ATOM 0 HG LEU A 90 -13.308 -5.250 10.967 1.00 52.20 H new ATOM 0 HD11 LEU A 90 -11.236 -4.596 12.127 1.00 43.31 H new ATOM 0 HD12 LEU A 90 -12.665 -4.421 13.173 1.00 43.31 H new ATOM 0 HD13 LEU A 90 -11.569 -5.806 13.389 1.00 43.31 H new ATOM 0 HD21 LEU A 90 -11.167 -6.317 10.390 1.00 74.01 H new ATOM 0 HD22 LEU A 90 -11.491 -7.599 11.582 1.00 74.01 H new ATOM 0 HD23 LEU A 90 -12.543 -7.422 10.157 1.00 74.01 H new ATOM 1498 N TYR A 91 -17.434 -7.643 11.859 1.00 71.54 N ATOM 1499 CA TYR A 91 -18.572 -8.204 12.583 1.00 40.42 C ATOM 1500 C TYR A 91 -18.719 -9.702 12.317 1.00 34.32 C ATOM 1501 O TYR A 91 -18.221 -10.221 11.311 1.00 11.35 O ATOM 1502 CB TYR A 91 -19.869 -7.483 12.198 1.00 14.04 C ATOM 1503 CG TYR A 91 -20.338 -7.738 10.777 1.00 65.13 C ATOM 1504 CD1 TYR A 91 -21.037 -8.898 10.449 1.00 55.32 C ATOM 1505 CD2 TYR A 91 -20.091 -6.818 9.765 1.00 42.31 C ATOM 1506 CE1 TYR A 91 -21.470 -9.132 9.162 1.00 44.41 C ATOM 1507 CE2 TYR A 91 -20.525 -7.046 8.472 1.00 2.40 C ATOM 1508 CZ TYR A 91 -21.214 -8.206 8.175 1.00 25.35 C ATOM 1509 OH TYR A 91 -21.645 -8.445 6.890 1.00 21.00 O ATOM 0 H TYR A 91 -17.676 -7.148 11.000 1.00 71.54 H new ATOM 0 HA TYR A 91 -18.384 -8.059 13.647 1.00 40.42 H new ATOM 0 HB2 TYR A 91 -20.657 -7.789 12.887 1.00 14.04 H new ATOM 0 HB3 TYR A 91 -19.726 -6.411 12.332 1.00 14.04 H new ATOM 0 HD1 TYR A 91 -21.243 -9.628 11.218 1.00 55.32 H new ATOM 0 HD2 TYR A 91 -19.551 -5.910 9.992 1.00 42.31 H new ATOM 0 HE1 TYR A 91 -22.008 -10.039 8.928 1.00 44.41 H new ATOM 0 HE2 TYR A 91 -20.326 -6.320 7.697 1.00 2.40 H new ATOM 0 HH TYR A 91 -21.831 -7.593 6.444 1.00 21.00 H new ATOM 1519 N SER A 92 -19.421 -10.385 13.213 1.00 24.23 N ATOM 1520 CA SER A 92 -19.717 -11.798 13.042 1.00 54.52 C ATOM 1521 C SER A 92 -21.019 -11.980 12.260 1.00 21.12 C ATOM 1522 O SER A 92 -21.942 -11.171 12.361 1.00 33.31 O ATOM 1523 CB SER A 92 -19.799 -12.496 14.404 1.00 0.35 C ATOM 1524 OG SER A 92 -20.734 -11.861 15.262 1.00 63.02 O ATOM 0 H SER A 92 -19.797 -9.978 14.070 1.00 24.23 H new ATOM 0 HA SER A 92 -18.909 -12.256 12.471 1.00 54.52 H new ATOM 0 HB2 SER A 92 -20.084 -13.538 14.262 1.00 0.35 H new ATOM 0 HB3 SER A 92 -18.815 -12.496 14.873 1.00 0.35 H new ATOM 0 HG SER A 92 -20.762 -12.332 16.121 1.00 63.02 H new ATOM 1530 N CYS A 93 -21.079 -13.041 11.478 1.00 21.14 N ATOM 1531 CA CYS A 93 -22.210 -13.293 10.592 1.00 44.21 C ATOM 1532 C CYS A 93 -22.536 -14.781 10.570 1.00 5.14 C ATOM 1533 O CYS A 93 -21.933 -15.559 11.306 1.00 14.43 O ATOM 1534 CB CYS A 93 -21.853 -12.859 9.186 1.00 12.44 C ATOM 1535 SG CYS A 93 -20.581 -13.924 8.456 1.00 62.14 S ATOM 0 H CYS A 93 -20.350 -13.753 11.436 1.00 21.14 H new ATOM 0 HA CYS A 93 -23.072 -12.733 10.955 1.00 44.21 H new ATOM 0 HB2 CYS A 93 -22.746 -12.879 8.562 1.00 12.44 H new ATOM 0 HB3 CYS A 93 -21.499 -11.828 9.203 1.00 12.44 H new ATOM 1540 N ASN A 94 -23.453 -15.179 9.695 1.00 60.45 N ATOM 1541 CA ASN A 94 -23.832 -16.580 9.569 1.00 52.41 C ATOM 1542 C ASN A 94 -23.400 -17.153 8.214 1.00 55.44 C ATOM 1543 O ASN A 94 -24.239 -17.476 7.375 1.00 61.45 O ATOM 1544 CB ASN A 94 -25.350 -16.732 9.746 1.00 2.42 C ATOM 1545 CG ASN A 94 -25.820 -18.180 9.709 1.00 13.51 C ATOM 1546 OD1 ASN A 94 -25.018 -19.088 10.244 1.00 42.10 O flip ATOM 1547 ND2 ASN A 94 -26.911 -18.475 9.223 1.00 54.23 N flip ATOM 0 H ASN A 94 -23.948 -14.550 9.062 1.00 60.45 H new ATOM 0 HA ASN A 94 -23.320 -17.141 10.351 1.00 52.41 H new ATOM 0 HB2 ASN A 94 -25.644 -16.286 10.696 1.00 2.42 H new ATOM 0 HB3 ASN A 94 -25.858 -16.172 8.961 1.00 2.42 H new ATOM 0 HD21 ASN A 94 -27.503 -17.749 8.819 1.00 54.23 H new ATOM 0 HD22 ASN A 94 -27.224 -19.446 9.224 1.00 54.23 H new ATOM 1554 N CYS A 95 -22.092 -17.248 7.977 1.00 74.51 N ATOM 1555 CA CYS A 95 -21.599 -17.938 6.781 1.00 31.43 C ATOM 1556 C CYS A 95 -21.322 -19.411 7.082 1.00 72.43 C ATOM 1557 O CYS A 95 -21.013 -20.188 6.180 1.00 24.15 O ATOM 1558 CB CYS A 95 -20.323 -17.292 6.219 1.00 54.10 C ATOM 1559 SG CYS A 95 -20.593 -15.835 5.150 1.00 23.20 S ATOM 0 H CYS A 95 -21.366 -16.865 8.582 1.00 74.51 H new ATOM 0 HA CYS A 95 -22.384 -17.854 6.029 1.00 31.43 H new ATOM 0 HB2 CYS A 95 -19.687 -16.997 7.053 1.00 54.10 H new ATOM 0 HB3 CYS A 95 -19.775 -18.043 5.650 1.00 54.10 H new ATOM 1564 N LYS A 96 -21.425 -19.786 8.356 1.00 43.22 N ATOM 1565 CA LYS A 96 -21.158 -21.160 8.782 1.00 41.32 C ATOM 1566 C LYS A 96 -21.843 -21.457 10.114 1.00 61.32 C ATOM 1567 O LYS A 96 -22.410 -22.529 10.309 1.00 52.21 O ATOM 1568 CB LYS A 96 -19.645 -21.415 8.886 1.00 32.35 C ATOM 1569 CG LYS A 96 -18.873 -20.330 9.620 1.00 44.32 C ATOM 1570 CD LYS A 96 -17.381 -20.626 9.639 1.00 54.44 C ATOM 1571 CE LYS A 96 -17.032 -21.724 10.630 1.00 74.05 C ATOM 1572 NZ LYS A 96 -15.578 -22.029 10.636 1.00 22.10 N ATOM 0 H LYS A 96 -21.692 -19.157 9.113 1.00 43.22 H new ATOM 0 HA LYS A 96 -21.568 -21.832 8.028 1.00 41.32 H new ATOM 0 HB2 LYS A 96 -19.483 -22.366 9.394 1.00 32.35 H new ATOM 0 HB3 LYS A 96 -19.236 -21.518 7.881 1.00 32.35 H new ATOM 0 HG2 LYS A 96 -19.048 -19.368 9.139 1.00 44.32 H new ATOM 0 HG3 LYS A 96 -19.242 -20.247 10.642 1.00 44.32 H new ATOM 0 HD2 LYS A 96 -17.057 -20.922 8.641 1.00 54.44 H new ATOM 0 HD3 LYS A 96 -16.834 -19.719 9.896 1.00 54.44 H new ATOM 0 HE2 LYS A 96 -17.343 -21.422 11.630 1.00 74.05 H new ATOM 0 HE3 LYS A 96 -17.590 -22.627 10.382 1.00 74.05 H new ATOM 0 HZ1 LYS A 96 -15.384 -22.783 11.326 1.00 22.10 H new ATOM 0 HZ2 LYS A 96 -15.285 -22.343 9.689 1.00 22.10 H new ATOM 0 HZ3 LYS A 96 -15.045 -21.175 10.898 1.00 22.10 H new ATOM 1586 N PHE A 97 -21.771 -20.502 11.026 1.00 11.45 N ATOM 1587 CA PHE A 97 -22.458 -20.591 12.308 1.00 1.22 C ATOM 1588 C PHE A 97 -22.952 -19.209 12.689 1.00 13.41 C ATOM 1589 O PHE A 97 -22.775 -18.267 11.917 1.00 15.30 O ATOM 1590 CB PHE A 97 -21.518 -21.128 13.398 1.00 14.02 C ATOM 1591 CG PHE A 97 -20.318 -20.255 13.640 1.00 12.44 C ATOM 1592 CD1 PHE A 97 -20.428 -19.085 14.378 1.00 44.23 C ATOM 1593 CD2 PHE A 97 -19.084 -20.598 13.122 1.00 2.13 C ATOM 1594 CE1 PHE A 97 -19.335 -18.276 14.589 1.00 54.05 C ATOM 1595 CE2 PHE A 97 -17.983 -19.795 13.330 1.00 12.45 C ATOM 1596 CZ PHE A 97 -18.106 -18.631 14.064 1.00 22.12 C ATOM 0 H PHE A 97 -21.236 -19.643 10.901 1.00 11.45 H new ATOM 0 HA PHE A 97 -23.297 -21.281 12.218 1.00 1.22 H new ATOM 0 HB2 PHE A 97 -22.076 -21.231 14.329 1.00 14.02 H new ATOM 0 HB3 PHE A 97 -21.181 -22.125 13.116 1.00 14.02 H new ATOM 0 HD1 PHE A 97 -21.385 -18.805 14.793 1.00 44.23 H new ATOM 0 HD2 PHE A 97 -18.981 -21.506 12.547 1.00 2.13 H new ATOM 0 HE1 PHE A 97 -19.437 -17.367 15.163 1.00 54.05 H new ATOM 0 HE2 PHE A 97 -17.024 -20.076 12.919 1.00 12.45 H new ATOM 0 HZ PHE A 97 -17.245 -18.000 14.227 1.00 22.12 H new ATOM 1606 N SER A 98 -23.567 -19.089 13.859 1.00 33.14 N ATOM 1607 CA SER A 98 -23.944 -17.791 14.400 1.00 65.33 C ATOM 1608 C SER A 98 -24.508 -17.933 15.799 1.00 23.53 C ATOM 1609 O SER A 98 -25.138 -18.939 16.125 1.00 71.40 O ATOM 1610 CB SER A 98 -24.955 -17.103 13.488 1.00 63.35 C ATOM 1611 OG SER A 98 -26.042 -17.966 13.194 1.00 54.24 O ATOM 0 H SER A 98 -23.816 -19.880 14.453 1.00 33.14 H new ATOM 0 HA SER A 98 -23.047 -17.174 14.453 1.00 65.33 H new ATOM 0 HB2 SER A 98 -25.325 -16.196 13.967 1.00 63.35 H new ATOM 0 HB3 SER A 98 -24.467 -16.798 12.562 1.00 63.35 H new ATOM 0 HG SER A 98 -26.678 -17.503 12.609 1.00 54.24 H new ATOM 1617 N LYS A 99 -24.247 -16.923 16.620 1.00 21.04 N ATOM 1618 CA LYS A 99 -24.759 -16.860 17.980 1.00 3.40 C ATOM 1619 C LYS A 99 -24.265 -18.020 18.830 1.00 44.12 C ATOM 1620 O LYS A 99 -24.978 -19.000 19.052 1.00 44.34 O ATOM 1621 CB LYS A 99 -26.288 -16.797 17.987 1.00 14.01 C ATOM 1622 CG LYS A 99 -26.834 -15.512 17.398 1.00 61.32 C ATOM 1623 CD LYS A 99 -26.167 -14.305 18.034 1.00 44.12 C ATOM 1624 CE LYS A 99 -26.909 -13.023 17.716 1.00 61.24 C ATOM 1625 NZ LYS A 99 -26.351 -11.863 18.458 1.00 53.32 N ATOM 0 H LYS A 99 -23.672 -16.122 16.358 1.00 21.04 H new ATOM 0 HA LYS A 99 -24.373 -15.943 18.425 1.00 3.40 H new ATOM 0 HB2 LYS A 99 -26.683 -17.643 17.425 1.00 14.01 H new ATOM 0 HB3 LYS A 99 -26.645 -16.900 19.012 1.00 14.01 H new ATOM 0 HG2 LYS A 99 -26.668 -15.500 16.321 1.00 61.32 H new ATOM 0 HG3 LYS A 99 -27.912 -15.463 17.555 1.00 61.32 H new ATOM 0 HD2 LYS A 99 -26.122 -14.441 19.115 1.00 44.12 H new ATOM 0 HD3 LYS A 99 -25.139 -14.228 17.679 1.00 44.12 H new ATOM 0 HE2 LYS A 99 -26.856 -12.829 16.645 1.00 61.24 H new ATOM 0 HE3 LYS A 99 -27.963 -13.142 17.967 1.00 61.24 H new ATOM 0 HZ1 LYS A 99 -26.885 -11.005 18.214 1.00 53.32 H new ATOM 0 HZ2 LYS A 99 -26.425 -12.037 19.481 1.00 53.32 H new ATOM 0 HZ3 LYS A 99 -25.352 -11.734 18.200 1.00 53.32 H new ATOM 1639 N LYS A 100 -23.026 -17.910 19.273 1.00 32.00 N ATOM 1640 CA LYS A 100 -22.479 -18.836 20.247 1.00 32.53 C ATOM 1641 C LYS A 100 -22.542 -18.174 21.611 1.00 24.44 C ATOM 1642 O LYS A 100 -23.032 -18.749 22.582 1.00 52.51 O ATOM 1643 CB LYS A 100 -21.033 -19.188 19.895 1.00 55.03 C ATOM 1644 CG LYS A 100 -20.392 -20.176 20.856 1.00 70.54 C ATOM 1645 CD LYS A 100 -18.888 -20.242 20.656 1.00 72.44 C ATOM 1646 CE LYS A 100 -18.234 -18.903 20.954 1.00 35.22 C ATOM 1647 NZ LYS A 100 -16.764 -18.937 20.739 1.00 53.43 N ATOM 0 H LYS A 100 -22.376 -17.184 18.971 1.00 32.00 H new ATOM 0 HA LYS A 100 -23.056 -19.761 20.250 1.00 32.53 H new ATOM 0 HB2 LYS A 100 -21.005 -19.604 18.888 1.00 55.03 H new ATOM 0 HB3 LYS A 100 -20.440 -18.274 19.879 1.00 55.03 H new ATOM 0 HG2 LYS A 100 -20.612 -19.883 21.883 1.00 70.54 H new ATOM 0 HG3 LYS A 100 -20.825 -21.165 20.707 1.00 70.54 H new ATOM 0 HD2 LYS A 100 -18.466 -21.008 21.306 1.00 72.44 H new ATOM 0 HD3 LYS A 100 -18.668 -20.537 19.630 1.00 72.44 H new ATOM 0 HE2 LYS A 100 -18.675 -18.135 20.318 1.00 35.22 H new ATOM 0 HE3 LYS A 100 -18.442 -18.620 21.986 1.00 35.22 H new ATOM 0 HZ1 LYS A 100 -16.360 -18.003 20.954 1.00 53.43 H new ATOM 0 HZ2 LYS A 100 -16.338 -19.651 21.364 1.00 53.43 H new ATOM 0 HZ3 LYS A 100 -16.564 -19.181 19.748 1.00 53.43 H new ATOM 1661 N LYS A 101 -22.038 -16.951 21.652 1.00 33.44 N ATOM 1662 CA LYS A 101 -22.121 -16.104 22.818 1.00 30.42 C ATOM 1663 C LYS A 101 -22.415 -14.677 22.375 1.00 21.23 C ATOM 1664 O LYS A 101 -21.480 -13.998 21.892 1.00 38.36 O ATOM 1665 CB LYS A 101 -20.817 -16.154 23.612 1.00 34.42 C ATOM 1666 CG LYS A 101 -21.040 -16.353 25.096 1.00 53.35 C ATOM 1667 CD LYS A 101 -21.784 -17.650 25.350 1.00 24.21 C ATOM 1668 CE LYS A 101 -22.135 -17.817 26.819 1.00 3.53 C ATOM 1669 NZ LYS A 101 -22.799 -19.119 27.090 1.00 14.41 N ATOM 1670 OXT LYS A 101 -23.581 -14.251 22.475 1.00 38.36 O ATOM 0 H LYS A 101 -21.555 -16.519 20.864 1.00 33.44 H new ATOM 0 HA LYS A 101 -22.923 -16.459 23.465 1.00 30.42 H new ATOM 0 HB2 LYS A 101 -20.196 -16.965 23.231 1.00 34.42 H new ATOM 0 HB3 LYS A 101 -20.265 -15.228 23.453 1.00 34.42 H new ATOM 0 HG2 LYS A 101 -20.082 -16.368 25.615 1.00 53.35 H new ATOM 0 HG3 LYS A 101 -21.608 -15.515 25.500 1.00 53.35 H new ATOM 0 HD2 LYS A 101 -22.696 -17.669 24.753 1.00 24.21 H new ATOM 0 HD3 LYS A 101 -21.172 -18.491 25.024 1.00 24.21 H new ATOM 0 HE2 LYS A 101 -21.228 -17.741 27.419 1.00 3.53 H new ATOM 0 HE3 LYS A 101 -22.791 -17.004 27.129 1.00 3.53 H new ATOM 0 HZ1 LYS A 101 -23.021 -19.191 28.103 1.00 14.41 H new ATOM 0 HZ2 LYS A 101 -23.678 -19.182 26.538 1.00 14.41 H new ATOM 0 HZ3 LYS A 101 -22.163 -19.896 26.819 1.00 14.41 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -20.297 -13.743 6.168 1.00 33.41 ZN