USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 MET CE :methyl -166:sc= -0.417 (180deg=-1.05) USER MOD Set 1.2: B 57 THR OG1 : rot -150:sc= -0.424 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0.401 USER MOD Set 3.2: A 29 GLN : amide:sc= 0.431 X(o=0.83,f=0.75) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0875) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0.34 (180deg=0.102) USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= 1 (180deg=0.31) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 20 ASN : amide:sc= 0.338 K(o=0.34,f=-0.71) USER MOD Single : A 22 THR OG1 : rot -49:sc= 1.02 USER MOD Single : A 27 GLN : amide:sc= -2.06! K(o=-2.1!,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= 0.803 (180deg=-1.32!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -77:sc= 0.00613 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= -0.117 (180deg=-0.148) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -140:sc= -0.286 USER MOD Single : A 67 LYS NZ :NH3+ -107:sc= -0.628 (180deg=-3.8!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 73 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=-0.19) USER MOD Single : A 74 HIS : no HE2:sc= 0.242 K(o=0.24,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00357 X(o=-0.0036,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET N :NH3+ 130:sc= 0.0534 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 140:sc= -0.456 (180deg=-2.42!) USER MOD Single : B 3 MET CE :methyl 163:sc= -0.101 (180deg=-0.536) USER MOD Single : B 5 LYS NZ :NH3+ -155:sc= 0.599 (180deg=0.17) USER MOD Single : B 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0156) USER MOD Single : B 14 GLN : amide:sc= -2.94! K(o=-2.9!,f=-0.3) USER MOD Single : B 20 ASN : amide:sc= 0.0566 K(o=0.057,f=-2.3!) USER MOD Single : B 22 THR OG1 : rot -26:sc= 0.54 USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.525 USER MOD Single : B 27 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.11) USER MOD Single : B 28 LYS NZ :NH3+ -101:sc= 0.4 (180deg=0.0221) USER MOD Single : B 29 GLN : amide:sc= -0.0877 K(o=-0.088,f=-3.2!) USER MOD Single : B 31 LYS NZ :NH3+ -143:sc= -0.63 (180deg=-2.93!) USER MOD Single : B 32 LYS NZ :NH3+ -171:sc= -0.0127 (180deg=-0.129) USER MOD Single : B 34 THR OG1 : rot -72:sc= 0.244 USER MOD Single : B 35 LYS NZ :NH3+ 171:sc= 0.409 (180deg=0.371) USER MOD Single : B 37 LYS NZ :NH3+ -153:sc= 0.227 (180deg=0.0404) USER MOD Single : B 40 LYS NZ :NH3+ -154:sc= 0.695 (180deg=0.23) USER MOD Single : B 54 LYS NZ :NH3+ 166:sc= 0.435 (180deg=0.276) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0287) USER MOD Single : B 72 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.15) USER MOD Single : B 73 HIS : no HE2:sc= -0.0227 K(o=-0.023,f=-0.88) USER MOD Single : B 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.635 19.706 2.281 1.00 43.45 N ATOM 2 CA MET A 1 8.358 19.173 3.468 1.00 3.43 C ATOM 3 C MET A 1 7.843 17.763 3.848 1.00 13.14 C ATOM 4 O MET A 1 8.466 16.760 3.478 1.00 72.22 O ATOM 5 CB MET A 1 8.239 20.150 4.671 1.00 42.22 C ATOM 6 CG MET A 1 8.846 21.532 4.435 1.00 14.00 C ATOM 7 SD MET A 1 8.665 22.613 5.868 1.00 53.13 S ATOM 8 CE MET A 1 9.462 24.107 5.282 1.00 52.24 C ATOM 0 H1 MET A 1 8.108 20.569 1.945 1.00 43.45 H new ATOM 0 H2 MET A 1 7.637 18.993 1.524 1.00 43.45 H new ATOM 0 H3 MET A 1 6.654 19.929 2.544 1.00 43.45 H new ATOM 0 HA MET A 1 9.412 19.083 3.206 1.00 3.43 H new ATOM 0 HB2 MET A 1 7.185 20.269 4.921 1.00 42.22 H new ATOM 0 HB3 MET A 1 8.723 19.699 5.537 1.00 42.22 H new ATOM 0 HG2 MET A 1 9.904 21.426 4.194 1.00 14.00 H new ATOM 0 HG3 MET A 1 8.367 21.994 3.571 1.00 14.00 H new ATOM 0 HE1 MET A 1 9.428 24.868 6.062 1.00 52.24 H new ATOM 0 HE2 MET A 1 10.501 23.891 5.031 1.00 52.24 H new ATOM 0 HE3 MET A 1 8.943 24.473 4.396 1.00 52.24 H new ATOM 20 N LYS A 2 6.687 17.682 4.564 1.00 14.33 N ATOM 21 CA LYS A 2 6.147 16.381 5.036 1.00 23.53 C ATOM 22 C LYS A 2 5.541 15.588 3.847 1.00 13.21 C ATOM 23 O LYS A 2 4.698 16.092 3.092 1.00 10.13 O ATOM 24 CB LYS A 2 5.147 16.539 6.246 1.00 41.44 C ATOM 25 CG LYS A 2 3.673 16.912 5.938 1.00 11.02 C ATOM 26 CD LYS A 2 3.485 18.297 5.284 1.00 24.21 C ATOM 27 CE LYS A 2 1.999 18.602 4.996 1.00 22.12 C ATOM 28 NZ LYS A 2 1.333 17.514 4.218 1.00 53.45 N ATOM 0 H LYS A 2 6.121 18.490 4.822 1.00 14.33 H new ATOM 0 HA LYS A 2 6.977 15.797 5.434 1.00 23.53 H new ATOM 0 HB2 LYS A 2 5.144 15.600 6.799 1.00 41.44 H new ATOM 0 HB3 LYS A 2 5.550 17.301 6.913 1.00 41.44 H new ATOM 0 HG2 LYS A 2 3.250 16.153 5.280 1.00 11.02 H new ATOM 0 HG3 LYS A 2 3.103 16.883 6.866 1.00 11.02 H new ATOM 0 HD2 LYS A 2 3.893 19.066 5.940 1.00 24.21 H new ATOM 0 HD3 LYS A 2 4.051 18.339 4.353 1.00 24.21 H new ATOM 0 HE2 LYS A 2 1.471 18.746 5.939 1.00 22.12 H new ATOM 0 HE3 LYS A 2 1.924 19.538 4.443 1.00 22.12 H new ATOM 0 HZ1 LYS A 2 0.375 17.816 3.948 1.00 53.45 H new ATOM 0 HZ2 LYS A 2 1.886 17.311 3.361 1.00 53.45 H new ATOM 0 HZ3 LYS A 2 1.273 16.656 4.802 1.00 53.45 H new ATOM 42 N MET A 3 6.035 14.359 3.667 1.00 31.23 N ATOM 43 CA MET A 3 5.762 13.516 2.478 1.00 43.42 C ATOM 44 C MET A 3 4.966 12.243 2.857 1.00 54.35 C ATOM 45 O MET A 3 5.107 11.716 3.961 1.00 71.12 O ATOM 46 CB MET A 3 7.130 13.161 1.838 1.00 43.45 C ATOM 47 CG MET A 3 7.096 12.285 0.592 1.00 24.21 C ATOM 48 SD MET A 3 6.107 12.965 -0.746 1.00 14.31 S ATOM 49 CE MET A 3 6.255 11.654 -1.965 1.00 73.35 C ATOM 0 H MET A 3 6.646 13.907 4.348 1.00 31.23 H new ATOM 0 HA MET A 3 5.141 14.059 1.765 1.00 43.42 H new ATOM 0 HB2 MET A 3 7.639 14.091 1.586 1.00 43.45 H new ATOM 0 HB3 MET A 3 7.738 12.659 2.591 1.00 43.45 H new ATOM 0 HG2 MET A 3 8.116 12.134 0.237 1.00 24.21 H new ATOM 0 HG3 MET A 3 6.703 11.304 0.859 1.00 24.21 H new ATOM 0 HE1 MET A 3 5.914 12.018 -2.934 1.00 73.35 H new ATOM 0 HE2 MET A 3 7.297 11.343 -2.040 1.00 73.35 H new ATOM 0 HE3 MET A 3 5.644 10.804 -1.661 1.00 73.35 H new ATOM 59 N LEU A 4 4.133 11.754 1.922 1.00 54.34 N ATOM 60 CA LEU A 4 3.348 10.505 2.110 1.00 12.53 C ATOM 61 C LEU A 4 4.270 9.248 2.118 1.00 53.41 C ATOM 62 O LEU A 4 3.902 8.201 2.657 1.00 31.53 O ATOM 63 CB LEU A 4 2.242 10.360 1.021 1.00 53.23 C ATOM 64 CG LEU A 4 1.126 11.466 0.955 1.00 53.04 C ATOM 65 CD1 LEU A 4 0.465 11.706 2.328 1.00 11.42 C ATOM 66 CD2 LEU A 4 1.642 12.782 0.329 1.00 13.11 C ATOM 0 H LEU A 4 3.980 12.203 1.019 1.00 54.34 H new ATOM 0 HA LEU A 4 2.862 10.576 3.083 1.00 12.53 H new ATOM 0 HB2 LEU A 4 2.733 10.322 0.049 1.00 53.23 H new ATOM 0 HB3 LEU A 4 1.751 9.398 1.169 1.00 53.23 H new ATOM 0 HG LEU A 4 0.351 11.083 0.291 1.00 53.04 H new ATOM 0 HD11 LEU A 4 -0.299 12.478 2.234 1.00 11.42 H new ATOM 0 HD12 LEU A 4 0.006 10.781 2.677 1.00 11.42 H new ATOM 0 HD13 LEU A 4 1.221 12.029 3.044 1.00 11.42 H new ATOM 0 HD21 LEU A 4 0.835 13.515 0.305 1.00 13.11 H new ATOM 0 HD22 LEU A 4 2.467 13.170 0.926 1.00 13.11 H new ATOM 0 HD23 LEU A 4 1.988 12.591 -0.687 1.00 13.11 H new ATOM 78 N LYS A 5 5.472 9.384 1.518 1.00 53.13 N ATOM 79 CA LYS A 5 6.519 8.332 1.495 1.00 54.55 C ATOM 80 C LYS A 5 7.133 8.110 2.901 1.00 12.31 C ATOM 81 O LYS A 5 7.176 6.977 3.395 1.00 21.51 O ATOM 82 CB LYS A 5 7.632 8.725 0.488 1.00 61.11 C ATOM 83 CG LYS A 5 8.803 7.726 0.382 1.00 12.50 C ATOM 84 CD LYS A 5 9.846 8.083 -0.707 1.00 23.31 C ATOM 85 CE LYS A 5 9.293 7.966 -2.142 1.00 43.42 C ATOM 86 NZ LYS A 5 10.351 8.197 -3.159 1.00 73.15 N ATOM 0 H LYS A 5 5.749 10.236 1.030 1.00 53.13 H new ATOM 0 HA LYS A 5 6.053 7.397 1.183 1.00 54.55 H new ATOM 0 HB2 LYS A 5 7.183 8.840 -0.499 1.00 61.11 H new ATOM 0 HB3 LYS A 5 8.030 9.699 0.773 1.00 61.11 H new ATOM 0 HG2 LYS A 5 9.307 7.670 1.347 1.00 12.50 H new ATOM 0 HG3 LYS A 5 8.402 6.734 0.174 1.00 12.50 H new ATOM 0 HD2 LYS A 5 10.199 9.101 -0.543 1.00 23.31 H new ATOM 0 HD3 LYS A 5 10.709 7.426 -0.603 1.00 23.31 H new ATOM 0 HE2 LYS A 5 8.860 6.976 -2.286 1.00 43.42 H new ATOM 0 HE3 LYS A 5 8.489 8.689 -2.282 1.00 43.42 H new ATOM 0 HZ1 LYS A 5 9.945 8.700 -3.974 1.00 73.15 H new ATOM 0 HZ2 LYS A 5 11.113 8.769 -2.743 1.00 73.15 H new ATOM 0 HZ3 LYS A 5 10.736 7.283 -3.473 1.00 73.15 H new ATOM 100 N GLU A 6 7.617 9.211 3.526 1.00 24.34 N ATOM 101 CA GLU A 6 8.215 9.166 4.889 1.00 23.50 C ATOM 102 C GLU A 6 7.142 8.825 5.963 1.00 52.41 C ATOM 103 O GLU A 6 7.455 8.256 7.013 1.00 3.10 O ATOM 104 CB GLU A 6 8.911 10.521 5.239 1.00 73.35 C ATOM 105 CG GLU A 6 7.946 11.718 5.391 1.00 5.34 C ATOM 106 CD GLU A 6 8.634 13.060 5.701 1.00 54.24 C ATOM 107 OE1 GLU A 6 8.828 13.381 6.894 1.00 21.43 O ATOM 108 OE2 GLU A 6 8.965 13.803 4.749 1.00 61.44 O ATOM 0 H GLU A 6 7.606 10.142 3.110 1.00 24.34 H new ATOM 0 HA GLU A 6 8.967 8.377 4.890 1.00 23.50 H new ATOM 0 HB2 GLU A 6 9.468 10.399 6.168 1.00 73.35 H new ATOM 0 HB3 GLU A 6 9.638 10.753 4.460 1.00 73.35 H new ATOM 0 HG2 GLU A 6 7.371 11.823 4.471 1.00 5.34 H new ATOM 0 HG3 GLU A 6 7.236 11.496 6.187 1.00 5.34 H new ATOM 115 N LYS A 7 5.877 9.205 5.667 1.00 4.23 N ATOM 116 CA LYS A 7 4.696 8.901 6.504 1.00 2.31 C ATOM 117 C LYS A 7 4.424 7.369 6.483 1.00 34.55 C ATOM 118 O LYS A 7 4.213 6.755 7.531 1.00 21.43 O ATOM 119 CB LYS A 7 3.478 9.743 5.972 1.00 65.24 C ATOM 120 CG LYS A 7 2.268 9.909 6.935 1.00 64.44 C ATOM 121 CD LYS A 7 1.354 8.663 7.011 1.00 22.13 C ATOM 122 CE LYS A 7 0.256 8.787 8.078 1.00 55.44 C ATOM 123 NZ LYS A 7 -0.698 9.883 7.785 1.00 11.52 N ATOM 0 H LYS A 7 5.647 9.738 4.829 1.00 4.23 H new ATOM 0 HA LYS A 7 4.867 9.177 7.544 1.00 2.31 H new ATOM 0 HB2 LYS A 7 3.841 10.736 5.708 1.00 65.24 H new ATOM 0 HB3 LYS A 7 3.120 9.279 5.053 1.00 65.24 H new ATOM 0 HG2 LYS A 7 2.640 10.137 7.934 1.00 64.44 H new ATOM 0 HG3 LYS A 7 1.674 10.764 6.613 1.00 64.44 H new ATOM 0 HD2 LYS A 7 0.890 8.500 6.038 1.00 22.13 H new ATOM 0 HD3 LYS A 7 1.963 7.785 7.225 1.00 22.13 H new ATOM 0 HE2 LYS A 7 -0.288 7.845 8.147 1.00 55.44 H new ATOM 0 HE3 LYS A 7 0.717 8.961 9.050 1.00 55.44 H new ATOM 0 HZ1 LYS A 7 -1.419 9.925 8.534 1.00 11.52 H new ATOM 0 HZ2 LYS A 7 -0.186 10.787 7.746 1.00 11.52 H new ATOM 0 HZ3 LYS A 7 -1.159 9.706 6.870 1.00 11.52 H new ATOM 137 N ALA A 8 4.471 6.777 5.272 1.00 2.42 N ATOM 138 CA ALA A 8 4.338 5.309 5.059 1.00 43.55 C ATOM 139 C ALA A 8 5.468 4.521 5.775 1.00 33.25 C ATOM 140 O ALA A 8 5.233 3.442 6.322 1.00 25.41 O ATOM 141 CB ALA A 8 4.337 4.992 3.552 1.00 42.25 C ATOM 0 H ALA A 8 4.603 7.300 4.406 1.00 2.42 H new ATOM 0 HA ALA A 8 3.390 4.993 5.494 1.00 43.55 H new ATOM 0 HB1 ALA A 8 4.239 3.916 3.407 1.00 42.25 H new ATOM 0 HB2 ALA A 8 3.500 5.500 3.074 1.00 42.25 H new ATOM 0 HB3 ALA A 8 5.271 5.335 3.107 1.00 42.25 H new ATOM 147 N GLY A 9 6.691 5.097 5.756 1.00 62.01 N ATOM 148 CA GLY A 9 7.852 4.530 6.458 1.00 22.54 C ATOM 149 C GLY A 9 7.755 4.606 7.992 1.00 13.15 C ATOM 150 O GLY A 9 8.257 3.719 8.698 1.00 74.42 O ATOM 0 H GLY A 9 6.895 5.962 5.256 1.00 62.01 H new ATOM 0 HA2 GLY A 9 7.968 3.487 6.163 1.00 22.54 H new ATOM 0 HA3 GLY A 9 8.751 5.055 6.135 1.00 22.54 H new ATOM 154 N ALA A 10 7.121 5.679 8.506 1.00 40.44 N ATOM 155 CA ALA A 10 6.854 5.849 9.957 1.00 75.24 C ATOM 156 C ALA A 10 5.838 4.794 10.463 1.00 13.41 C ATOM 157 O ALA A 10 6.008 4.202 11.538 1.00 1.21 O ATOM 158 CB ALA A 10 6.334 7.271 10.233 1.00 34.35 C ATOM 0 H ALA A 10 6.779 6.451 7.934 1.00 40.44 H new ATOM 0 HA ALA A 10 7.789 5.701 10.498 1.00 75.24 H new ATOM 0 HB1 ALA A 10 6.141 7.387 11.299 1.00 34.35 H new ATOM 0 HB2 ALA A 10 7.081 7.999 9.918 1.00 34.35 H new ATOM 0 HB3 ALA A 10 5.411 7.435 9.677 1.00 34.35 H new ATOM 164 N LEU A 11 4.786 4.571 9.650 1.00 3.40 N ATOM 165 CA LEU A 11 3.770 3.518 9.881 1.00 2.33 C ATOM 166 C LEU A 11 4.397 2.111 9.786 1.00 13.13 C ATOM 167 O LEU A 11 4.060 1.224 10.561 1.00 63.30 O ATOM 168 CB LEU A 11 2.636 3.660 8.839 1.00 10.34 C ATOM 169 CG LEU A 11 1.840 4.996 8.883 1.00 64.20 C ATOM 170 CD1 LEU A 11 0.915 5.119 7.660 1.00 64.53 C ATOM 171 CD2 LEU A 11 1.056 5.138 10.210 1.00 1.43 C ATOM 0 H LEU A 11 4.614 5.120 8.807 1.00 3.40 H new ATOM 0 HA LEU A 11 3.365 3.641 10.886 1.00 2.33 H new ATOM 0 HB2 LEU A 11 3.066 3.548 7.844 1.00 10.34 H new ATOM 0 HB3 LEU A 11 1.935 2.837 8.978 1.00 10.34 H new ATOM 0 HG LEU A 11 2.554 5.819 8.842 1.00 64.20 H new ATOM 0 HD11 LEU A 11 0.368 6.060 7.711 1.00 64.53 H new ATOM 0 HD12 LEU A 11 1.512 5.095 6.748 1.00 64.53 H new ATOM 0 HD13 LEU A 11 0.209 4.289 7.653 1.00 64.53 H new ATOM 0 HD21 LEU A 11 0.510 6.081 10.211 1.00 1.43 H new ATOM 0 HD22 LEU A 11 0.352 4.311 10.307 1.00 1.43 H new ATOM 0 HD23 LEU A 11 1.753 5.121 11.048 1.00 1.43 H new ATOM 183 N ALA A 12 5.323 1.935 8.826 1.00 40.34 N ATOM 184 CA ALA A 12 6.035 0.654 8.592 1.00 13.41 C ATOM 185 C ALA A 12 6.765 0.149 9.857 1.00 32.44 C ATOM 186 O ALA A 12 6.814 -1.056 10.115 1.00 1.21 O ATOM 187 CB ALA A 12 7.022 0.810 7.433 1.00 21.42 C ATOM 0 H ALA A 12 5.604 2.677 8.185 1.00 40.34 H new ATOM 0 HA ALA A 12 5.286 -0.095 8.335 1.00 13.41 H new ATOM 0 HB1 ALA A 12 7.541 -0.134 7.267 1.00 21.42 H new ATOM 0 HB2 ALA A 12 6.481 1.090 6.529 1.00 21.42 H new ATOM 0 HB3 ALA A 12 7.749 1.585 7.676 1.00 21.42 H new ATOM 193 N GLY A 13 7.315 1.102 10.635 1.00 43.52 N ATOM 194 CA GLY A 13 7.911 0.807 11.943 1.00 62.11 C ATOM 195 C GLY A 13 6.904 0.223 12.951 1.00 31.11 C ATOM 196 O GLY A 13 7.235 -0.694 13.695 1.00 65.41 O ATOM 0 H GLY A 13 7.356 2.087 10.374 1.00 43.52 H new ATOM 0 HA2 GLY A 13 8.732 0.103 11.810 1.00 62.11 H new ATOM 0 HA3 GLY A 13 8.339 1.721 12.355 1.00 62.11 H new ATOM 200 N GLN A 14 5.663 0.756 12.941 1.00 61.15 N ATOM 201 CA GLN A 14 4.574 0.314 13.854 1.00 11.23 C ATOM 202 C GLN A 14 4.059 -1.112 13.498 1.00 35.03 C ATOM 203 O GLN A 14 4.025 -2.002 14.363 1.00 72.55 O ATOM 204 CB GLN A 14 3.385 1.311 13.780 1.00 0.54 C ATOM 205 CG GLN A 14 3.723 2.772 14.132 1.00 1.33 C ATOM 206 CD GLN A 14 2.515 3.705 13.980 1.00 2.45 C ATOM 207 OE1 GLN A 14 1.370 3.294 14.142 1.00 43.32 O ATOM 208 NE2 GLN A 14 2.752 4.966 13.692 1.00 74.31 N ATOM 0 H GLN A 14 5.384 1.502 12.304 1.00 61.15 H new ATOM 0 HA GLN A 14 4.987 0.288 14.862 1.00 11.23 H new ATOM 0 HB2 GLN A 14 2.973 1.284 12.771 1.00 0.54 H new ATOM 0 HB3 GLN A 14 2.601 0.965 14.454 1.00 0.54 H new ATOM 0 HG2 GLN A 14 4.089 2.820 15.158 1.00 1.33 H new ATOM 0 HG3 GLN A 14 4.531 3.120 13.488 1.00 1.33 H new ATOM 0 HE21 GLN A 14 3.711 5.288 13.561 1.00 74.31 H new ATOM 0 HE22 GLN A 14 1.977 5.622 13.599 1.00 74.31 H new ATOM 217 N ILE A 15 3.674 -1.309 12.213 1.00 42.40 N ATOM 218 CA ILE A 15 3.092 -2.589 11.709 1.00 2.53 C ATOM 219 C ILE A 15 4.114 -3.749 11.859 1.00 33.33 C ATOM 220 O ILE A 15 3.764 -4.843 12.323 1.00 41.22 O ATOM 221 CB ILE A 15 2.571 -2.482 10.195 1.00 2.32 C ATOM 222 CG1 ILE A 15 1.246 -1.636 10.062 1.00 34.11 C ATOM 223 CG2 ILE A 15 2.341 -3.881 9.557 1.00 63.32 C ATOM 224 CD1 ILE A 15 1.345 -0.169 10.399 1.00 22.42 C ATOM 0 H ILE A 15 3.756 -0.590 11.494 1.00 42.40 H new ATOM 0 HA ILE A 15 2.218 -2.803 12.325 1.00 2.53 H new ATOM 0 HB ILE A 15 3.366 -1.966 9.657 1.00 2.32 H new ATOM 0 HG12 ILE A 15 0.885 -1.727 9.037 1.00 34.11 H new ATOM 0 HG13 ILE A 15 0.490 -2.084 10.707 1.00 34.11 H new ATOM 0 HG21 ILE A 15 1.989 -3.760 8.533 1.00 63.32 H new ATOM 0 HG22 ILE A 15 3.278 -4.439 9.555 1.00 63.32 H new ATOM 0 HG23 ILE A 15 1.595 -4.426 10.135 1.00 63.32 H new ATOM 0 HD11 ILE A 15 0.370 0.301 10.269 1.00 22.42 H new ATOM 0 HD12 ILE A 15 1.667 -0.054 11.434 1.00 22.42 H new ATOM 0 HD13 ILE A 15 2.069 0.308 9.738 1.00 22.42 H new ATOM 236 N TRP A 16 5.382 -3.480 11.495 1.00 72.40 N ATOM 237 CA TRP A 16 6.468 -4.469 11.606 1.00 70.44 C ATOM 238 C TRP A 16 6.800 -4.815 13.082 1.00 22.11 C ATOM 239 O TRP A 16 7.054 -5.973 13.383 1.00 45.53 O ATOM 240 CB TRP A 16 7.735 -3.982 10.865 1.00 13.44 C ATOM 241 CG TRP A 16 8.845 -4.999 10.864 1.00 53.04 C ATOM 242 CD1 TRP A 16 8.947 -6.100 10.067 1.00 2.21 C ATOM 243 CD2 TRP A 16 9.980 -5.026 11.732 1.00 50.24 C ATOM 244 NE1 TRP A 16 10.096 -6.789 10.363 1.00 3.13 N ATOM 245 CE2 TRP A 16 10.742 -6.154 11.389 1.00 21.53 C ATOM 246 CE3 TRP A 16 10.425 -4.191 12.757 1.00 14.10 C ATOM 247 CZ2 TRP A 16 11.920 -6.477 12.045 1.00 35.32 C ATOM 248 CZ3 TRP A 16 11.589 -4.511 13.411 1.00 34.25 C ATOM 249 CH2 TRP A 16 12.333 -5.646 13.052 1.00 54.20 C ATOM 0 H TRP A 16 5.680 -2.580 11.119 1.00 72.40 H new ATOM 0 HA TRP A 16 6.113 -5.384 11.131 1.00 70.44 H new ATOM 0 HB2 TRP A 16 7.475 -3.736 9.836 1.00 13.44 H new ATOM 0 HB3 TRP A 16 8.092 -3.064 11.332 1.00 13.44 H new ATOM 0 HD1 TRP A 16 8.229 -6.388 9.313 1.00 2.21 H new ATOM 0 HE1 TRP A 16 10.417 -7.637 9.895 1.00 3.13 H new ATOM 0 HE3 TRP A 16 9.864 -3.309 13.031 1.00 14.10 H new ATOM 0 HZ2 TRP A 16 12.491 -7.352 11.772 1.00 35.32 H new ATOM 0 HZ3 TRP A 16 11.938 -3.879 14.215 1.00 34.25 H new ATOM 0 HH2 TRP A 16 13.249 -5.868 13.580 1.00 54.20 H new ATOM 260 N GLU A 17 6.813 -3.818 13.991 1.00 42.51 N ATOM 261 CA GLU A 17 7.035 -4.071 15.446 1.00 74.24 C ATOM 262 C GLU A 17 5.879 -4.896 16.081 1.00 33.02 C ATOM 263 O GLU A 17 6.089 -5.593 17.080 1.00 23.44 O ATOM 264 CB GLU A 17 7.263 -2.741 16.222 1.00 62.33 C ATOM 265 CG GLU A 17 8.709 -2.186 16.168 1.00 21.40 C ATOM 266 CD GLU A 17 9.720 -3.036 16.967 1.00 15.23 C ATOM 267 OE1 GLU A 17 9.771 -2.906 18.212 1.00 13.43 O ATOM 268 OE2 GLU A 17 10.463 -3.831 16.366 1.00 73.05 O ATOM 0 H GLU A 17 6.674 -2.835 13.755 1.00 42.51 H new ATOM 0 HA GLU A 17 7.941 -4.671 15.528 1.00 74.24 H new ATOM 0 HB2 GLU A 17 6.586 -1.986 15.823 1.00 62.33 H new ATOM 0 HB3 GLU A 17 6.989 -2.896 17.266 1.00 62.33 H new ATOM 0 HG2 GLU A 17 9.032 -2.133 15.128 1.00 21.40 H new ATOM 0 HG3 GLU A 17 8.714 -1.167 16.556 1.00 21.40 H new ATOM 275 N ALA A 18 4.666 -4.806 15.497 1.00 1.52 N ATOM 276 CA ALA A 18 3.522 -5.677 15.868 1.00 62.31 C ATOM 277 C ALA A 18 3.761 -7.146 15.401 1.00 40.33 C ATOM 278 O ALA A 18 3.299 -8.100 16.038 1.00 75.41 O ATOM 279 CB ALA A 18 2.223 -5.114 15.269 1.00 41.33 C ATOM 0 H ALA A 18 4.449 -4.135 14.761 1.00 1.52 H new ATOM 0 HA ALA A 18 3.431 -5.690 16.954 1.00 62.31 H new ATOM 0 HB1 ALA A 18 1.387 -5.757 15.544 1.00 41.33 H new ATOM 0 HB2 ALA A 18 2.050 -4.109 15.654 1.00 41.33 H new ATOM 0 HB3 ALA A 18 2.310 -5.076 14.183 1.00 41.33 H new ATOM 285 N LEU A 19 4.489 -7.298 14.279 1.00 52.43 N ATOM 286 CA LEU A 19 4.894 -8.612 13.720 1.00 1.24 C ATOM 287 C LEU A 19 6.213 -9.141 14.355 1.00 53.44 C ATOM 288 O LEU A 19 6.459 -10.355 14.367 1.00 64.25 O ATOM 289 CB LEU A 19 5.074 -8.476 12.183 1.00 63.41 C ATOM 290 CG LEU A 19 3.789 -8.102 11.380 1.00 63.34 C ATOM 291 CD1 LEU A 19 4.112 -7.811 9.898 1.00 32.04 C ATOM 292 CD2 LEU A 19 2.720 -9.208 11.511 1.00 14.31 C ATOM 0 H LEU A 19 4.818 -6.507 13.726 1.00 52.43 H new ATOM 0 HA LEU A 19 4.109 -9.332 13.953 1.00 1.24 H new ATOM 0 HB2 LEU A 19 5.833 -7.718 11.991 1.00 63.41 H new ATOM 0 HB3 LEU A 19 5.460 -9.419 11.796 1.00 63.41 H new ATOM 0 HG LEU A 19 3.383 -7.186 11.810 1.00 63.34 H new ATOM 0 HD11 LEU A 19 3.194 -7.554 9.369 1.00 32.04 H new ATOM 0 HD12 LEU A 19 4.812 -6.978 9.835 1.00 32.04 H new ATOM 0 HD13 LEU A 19 4.558 -8.695 9.442 1.00 32.04 H new ATOM 0 HD21 LEU A 19 1.833 -8.926 10.943 1.00 14.31 H new ATOM 0 HD22 LEU A 19 3.117 -10.146 11.122 1.00 14.31 H new ATOM 0 HD23 LEU A 19 2.454 -9.334 12.560 1.00 14.31 H new ATOM 304 N ASN A 20 7.053 -8.225 14.869 1.00 21.31 N ATOM 305 CA ASN A 20 8.403 -8.558 15.372 1.00 31.54 C ATOM 306 C ASN A 20 8.327 -9.310 16.722 1.00 64.03 C ATOM 307 O ASN A 20 7.721 -8.821 17.681 1.00 1.14 O ATOM 308 CB ASN A 20 9.266 -7.272 15.501 1.00 41.41 C ATOM 309 CG ASN A 20 10.743 -7.559 15.794 1.00 13.42 C ATOM 310 OD1 ASN A 20 11.281 -8.587 15.393 1.00 42.34 O ATOM 311 ND2 ASN A 20 11.414 -6.657 16.477 1.00 24.25 N ATOM 0 H ASN A 20 6.819 -7.235 14.948 1.00 21.31 H new ATOM 0 HA ASN A 20 8.880 -9.222 14.651 1.00 31.54 H new ATOM 0 HB2 ASN A 20 9.191 -6.698 14.577 1.00 41.41 H new ATOM 0 HB3 ASN A 20 8.859 -6.648 16.297 1.00 41.41 H new ATOM 0 HD21 ASN A 20 12.402 -6.804 16.683 1.00 24.25 H new ATOM 0 HD22 ASN A 20 10.946 -5.810 16.800 1.00 24.25 H new ATOM 318 N GLY A 21 8.966 -10.495 16.775 1.00 24.41 N ATOM 319 CA GLY A 21 8.911 -11.375 17.956 1.00 74.25 C ATOM 320 C GLY A 21 7.667 -12.278 18.010 1.00 62.53 C ATOM 321 O GLY A 21 7.399 -12.907 19.037 1.00 31.11 O ATOM 0 H GLY A 21 9.529 -10.865 16.009 1.00 24.41 H new ATOM 0 HA2 GLY A 21 9.803 -12.002 17.970 1.00 74.25 H new ATOM 0 HA3 GLY A 21 8.939 -10.760 18.855 1.00 74.25 H new ATOM 325 N THR A 22 6.904 -12.343 16.897 1.00 64.23 N ATOM 326 CA THR A 22 5.713 -13.228 16.771 1.00 45.33 C ATOM 327 C THR A 22 5.852 -14.146 15.532 1.00 44.20 C ATOM 328 O THR A 22 6.730 -13.938 14.684 1.00 33.24 O ATOM 329 CB THR A 22 4.368 -12.412 16.644 1.00 50.03 C ATOM 330 OG1 THR A 22 4.247 -11.827 15.334 1.00 11.31 O ATOM 331 CG2 THR A 22 4.255 -11.299 17.707 1.00 44.21 C ATOM 0 H THR A 22 7.091 -11.788 16.061 1.00 64.23 H new ATOM 0 HA THR A 22 5.670 -13.822 17.684 1.00 45.33 H new ATOM 0 HB THR A 22 3.558 -13.123 16.808 1.00 50.03 H new ATOM 0 HG1 THR A 22 5.077 -11.358 15.107 1.00 11.31 H new ATOM 0 HG21 THR A 22 3.313 -10.767 17.578 1.00 44.21 H new ATOM 0 HG22 THR A 22 4.288 -11.742 18.702 1.00 44.21 H new ATOM 0 HG23 THR A 22 5.085 -10.601 17.593 1.00 44.21 H new ATOM 339 N GLU A 23 4.965 -15.155 15.426 1.00 5.32 N ATOM 340 CA GLU A 23 4.872 -16.042 14.225 1.00 3.15 C ATOM 341 C GLU A 23 4.168 -15.325 13.043 1.00 74.31 C ATOM 342 O GLU A 23 4.198 -15.800 11.899 1.00 62.20 O ATOM 343 CB GLU A 23 4.090 -17.352 14.558 1.00 14.12 C ATOM 344 CG GLU A 23 4.742 -18.279 15.607 1.00 52.34 C ATOM 345 CD GLU A 23 4.804 -17.687 17.025 1.00 23.14 C ATOM 346 OE1 GLU A 23 3.732 -17.480 17.629 1.00 23.25 O ATOM 347 OE2 GLU A 23 5.919 -17.434 17.536 1.00 13.51 O ATOM 0 H GLU A 23 4.293 -15.386 16.158 1.00 5.32 H new ATOM 0 HA GLU A 23 5.893 -16.289 13.934 1.00 3.15 H new ATOM 0 HB2 GLU A 23 3.096 -17.079 14.911 1.00 14.12 H new ATOM 0 HB3 GLU A 23 3.956 -17.917 13.635 1.00 14.12 H new ATOM 0 HG2 GLU A 23 4.187 -19.216 15.641 1.00 52.34 H new ATOM 0 HG3 GLU A 23 5.754 -18.520 15.282 1.00 52.34 H new ATOM 354 N GLY A 24 3.547 -14.178 13.350 1.00 30.02 N ATOM 355 CA GLY A 24 2.665 -13.460 12.434 1.00 23.35 C ATOM 356 C GLY A 24 1.433 -12.928 13.159 1.00 40.31 C ATOM 357 O GLY A 24 1.064 -13.449 14.221 1.00 25.20 O ATOM 0 H GLY A 24 3.648 -13.720 14.256 1.00 30.02 H new ATOM 0 HA2 GLY A 24 3.207 -12.632 11.977 1.00 23.35 H new ATOM 0 HA3 GLY A 24 2.357 -14.124 11.626 1.00 23.35 H new ATOM 361 N LEU A 25 0.782 -11.900 12.588 1.00 43.12 N ATOM 362 CA LEU A 25 -0.380 -11.241 13.221 1.00 51.13 C ATOM 363 C LEU A 25 -1.373 -10.750 12.133 1.00 11.14 C ATOM 364 O LEU A 25 -0.960 -10.398 11.018 1.00 72.42 O ATOM 365 CB LEU A 25 0.121 -10.066 14.126 1.00 1.32 C ATOM 366 CG LEU A 25 -0.838 -9.613 15.271 1.00 34.13 C ATOM 367 CD1 LEU A 25 -1.086 -10.760 16.279 1.00 1.44 C ATOM 368 CD2 LEU A 25 -0.310 -8.344 15.986 1.00 12.21 C ATOM 0 H LEU A 25 1.041 -11.504 11.684 1.00 43.12 H new ATOM 0 HA LEU A 25 -0.914 -11.952 13.852 1.00 51.13 H new ATOM 0 HB2 LEU A 25 1.071 -10.360 14.573 1.00 1.32 H new ATOM 0 HB3 LEU A 25 0.322 -9.205 13.488 1.00 1.32 H new ATOM 0 HG LEU A 25 -1.794 -9.357 14.815 1.00 34.13 H new ATOM 0 HD11 LEU A 25 -1.758 -10.415 17.065 1.00 1.44 H new ATOM 0 HD12 LEU A 25 -1.537 -11.607 15.762 1.00 1.44 H new ATOM 0 HD13 LEU A 25 -0.138 -11.067 16.721 1.00 1.44 H new ATOM 0 HD21 LEU A 25 -1.003 -8.057 16.777 1.00 12.21 H new ATOM 0 HD22 LEU A 25 0.669 -8.551 16.418 1.00 12.21 H new ATOM 0 HD23 LEU A 25 -0.224 -7.530 15.266 1.00 12.21 H new ATOM 380 N THR A 26 -2.685 -10.746 12.456 1.00 24.22 N ATOM 381 CA THR A 26 -3.756 -10.342 11.502 1.00 23.35 C ATOM 382 C THR A 26 -3.961 -8.817 11.501 1.00 23.20 C ATOM 383 O THR A 26 -3.552 -8.132 12.439 1.00 30.21 O ATOM 384 CB THR A 26 -5.133 -11.011 11.837 1.00 74.15 C ATOM 385 OG1 THR A 26 -5.662 -10.485 13.071 1.00 61.45 O ATOM 386 CG2 THR A 26 -5.026 -12.538 11.947 1.00 70.44 C ATOM 0 H THR A 26 -3.035 -11.019 13.374 1.00 24.22 H new ATOM 0 HA THR A 26 -3.419 -10.679 10.522 1.00 23.35 H new ATOM 0 HB THR A 26 -5.805 -10.776 11.012 1.00 74.15 H new ATOM 0 HG1 THR A 26 -6.523 -10.911 13.266 1.00 61.45 H new ATOM 0 HG21 THR A 26 -6.005 -12.956 12.180 1.00 70.44 H new ATOM 0 HG22 THR A 26 -4.673 -12.947 11.000 1.00 70.44 H new ATOM 0 HG23 THR A 26 -4.323 -12.797 12.739 1.00 70.44 H new ATOM 394 N GLN A 27 -4.655 -8.315 10.458 1.00 14.04 N ATOM 395 CA GLN A 27 -4.925 -6.869 10.260 1.00 4.25 C ATOM 396 C GLN A 27 -5.571 -6.205 11.504 1.00 73.45 C ATOM 397 O GLN A 27 -5.094 -5.173 11.977 1.00 43.34 O ATOM 398 CB GLN A 27 -5.843 -6.679 9.017 1.00 3.33 C ATOM 399 CG GLN A 27 -6.281 -5.224 8.750 1.00 24.22 C ATOM 400 CD GLN A 27 -7.212 -5.073 7.547 1.00 15.50 C ATOM 401 OE1 GLN A 27 -8.428 -5.169 7.670 1.00 34.24 O ATOM 402 NE2 GLN A 27 -6.658 -4.827 6.384 1.00 74.03 N ATOM 0 H GLN A 27 -5.048 -8.903 9.723 1.00 14.04 H new ATOM 0 HA GLN A 27 -3.966 -6.376 10.101 1.00 4.25 H new ATOM 0 HB2 GLN A 27 -5.320 -7.053 8.137 1.00 3.33 H new ATOM 0 HB3 GLN A 27 -6.734 -7.294 9.144 1.00 3.33 H new ATOM 0 HG2 GLN A 27 -6.782 -4.836 9.637 1.00 24.22 H new ATOM 0 HG3 GLN A 27 -5.394 -4.610 8.591 1.00 24.22 H new ATOM 0 HE21 GLN A 27 -5.644 -4.752 6.308 1.00 74.03 H new ATOM 0 HE22 GLN A 27 -7.242 -4.711 5.555 1.00 74.03 H new ATOM 411 N LYS A 28 -6.645 -6.830 12.017 1.00 32.31 N ATOM 412 CA LYS A 28 -7.379 -6.358 13.223 1.00 22.41 C ATOM 413 C LYS A 28 -6.448 -6.217 14.459 1.00 13.22 C ATOM 414 O LYS A 28 -6.446 -5.184 15.139 1.00 14.02 O ATOM 415 CB LYS A 28 -8.538 -7.345 13.537 1.00 75.44 C ATOM 416 CG LYS A 28 -9.408 -6.963 14.763 1.00 15.44 C ATOM 417 CD LYS A 28 -10.507 -8.008 15.083 1.00 71.21 C ATOM 418 CE LYS A 28 -11.532 -8.174 13.946 1.00 21.03 C ATOM 419 NZ LYS A 28 -12.585 -9.161 14.291 1.00 43.32 N ATOM 0 H LYS A 28 -7.036 -7.680 11.612 1.00 32.31 H new ATOM 0 HA LYS A 28 -7.778 -5.367 13.007 1.00 22.41 H new ATOM 0 HB2 LYS A 28 -9.182 -7.416 12.661 1.00 75.44 H new ATOM 0 HB3 LYS A 28 -8.116 -8.336 13.704 1.00 75.44 H new ATOM 0 HG2 LYS A 28 -8.764 -6.845 15.634 1.00 15.44 H new ATOM 0 HG3 LYS A 28 -9.877 -5.996 14.580 1.00 15.44 H new ATOM 0 HD2 LYS A 28 -10.037 -8.971 15.284 1.00 71.21 H new ATOM 0 HD3 LYS A 28 -11.028 -7.711 15.993 1.00 71.21 H new ATOM 0 HE2 LYS A 28 -11.994 -7.211 13.730 1.00 21.03 H new ATOM 0 HE3 LYS A 28 -11.019 -8.492 13.038 1.00 21.03 H new ATOM 0 HZ1 LYS A 28 -13.255 -9.244 13.500 1.00 43.32 H new ATOM 0 HZ2 LYS A 28 -12.147 -10.087 14.472 1.00 43.32 H new ATOM 0 HZ3 LYS A 28 -13.092 -8.845 15.142 1.00 43.32 H new ATOM 433 N GLN A 29 -5.646 -7.267 14.704 1.00 62.20 N ATOM 434 CA GLN A 29 -4.757 -7.358 15.887 1.00 20.42 C ATOM 435 C GLN A 29 -3.523 -6.420 15.773 1.00 44.35 C ATOM 436 O GLN A 29 -2.975 -5.983 16.793 1.00 45.04 O ATOM 437 CB GLN A 29 -4.332 -8.832 16.103 1.00 31.01 C ATOM 438 CG GLN A 29 -5.505 -9.800 16.371 1.00 41.32 C ATOM 439 CD GLN A 29 -5.057 -11.243 16.618 1.00 14.53 C ATOM 440 OE1 GLN A 29 -4.791 -11.638 17.747 1.00 63.12 O ATOM 441 NE2 GLN A 29 -4.961 -12.041 15.571 1.00 74.22 N ATOM 0 H GLN A 29 -5.592 -8.080 14.090 1.00 62.20 H new ATOM 0 HA GLN A 29 -5.315 -7.017 16.759 1.00 20.42 H new ATOM 0 HB2 GLN A 29 -3.789 -9.174 15.222 1.00 31.01 H new ATOM 0 HB3 GLN A 29 -3.639 -8.878 16.943 1.00 31.01 H new ATOM 0 HG2 GLN A 29 -6.066 -9.448 17.237 1.00 41.32 H new ATOM 0 HG3 GLN A 29 -6.186 -9.779 15.520 1.00 41.32 H new ATOM 0 HE21 GLN A 29 -5.188 -11.691 14.640 1.00 74.22 H new ATOM 0 HE22 GLN A 29 -4.660 -13.008 15.693 1.00 74.22 H new ATOM 450 N ILE A 30 -3.093 -6.110 14.534 1.00 51.25 N ATOM 451 CA ILE A 30 -2.014 -5.124 14.281 1.00 45.13 C ATOM 452 C ILE A 30 -2.525 -3.688 14.541 1.00 14.24 C ATOM 453 O ILE A 30 -1.879 -2.923 15.244 1.00 12.14 O ATOM 454 CB ILE A 30 -1.436 -5.245 12.819 1.00 61.13 C ATOM 455 CG1 ILE A 30 -0.755 -6.634 12.616 1.00 41.15 C ATOM 456 CG2 ILE A 30 -0.440 -4.096 12.496 1.00 2.22 C ATOM 457 CD1 ILE A 30 -0.252 -6.913 11.210 1.00 42.31 C ATOM 0 H ILE A 30 -3.476 -6.529 13.686 1.00 51.25 H new ATOM 0 HA ILE A 30 -1.201 -5.344 14.973 1.00 45.13 H new ATOM 0 HB ILE A 30 -2.272 -5.157 12.125 1.00 61.13 H new ATOM 0 HG12 ILE A 30 0.085 -6.712 13.306 1.00 41.15 H new ATOM 0 HG13 ILE A 30 -1.467 -7.412 12.890 1.00 41.15 H new ATOM 0 HG21 ILE A 30 -0.064 -4.215 11.480 1.00 2.22 H new ATOM 0 HG22 ILE A 30 -0.950 -3.137 12.584 1.00 2.22 H new ATOM 0 HG23 ILE A 30 0.394 -4.129 13.197 1.00 2.22 H new ATOM 0 HD11 ILE A 30 0.204 -7.903 11.176 1.00 42.31 H new ATOM 0 HD12 ILE A 30 -1.087 -6.874 10.510 1.00 42.31 H new ATOM 0 HD13 ILE A 30 0.489 -6.163 10.933 1.00 42.31 H new ATOM 469 N LYS A 31 -3.709 -3.350 13.983 1.00 53.02 N ATOM 470 CA LYS A 31 -4.369 -2.026 14.192 1.00 41.52 C ATOM 471 C LYS A 31 -4.704 -1.776 15.692 1.00 32.22 C ATOM 472 O LYS A 31 -4.809 -0.629 16.127 1.00 41.32 O ATOM 473 CB LYS A 31 -5.638 -1.910 13.302 1.00 53.23 C ATOM 474 CG LYS A 31 -5.345 -1.987 11.783 1.00 43.04 C ATOM 475 CD LYS A 31 -6.618 -2.028 10.890 1.00 40.00 C ATOM 476 CE LYS A 31 -7.328 -0.665 10.712 1.00 63.54 C ATOM 477 NZ LYS A 31 -7.942 -0.131 11.954 1.00 34.41 N ATOM 0 H LYS A 31 -4.237 -3.978 13.377 1.00 53.02 H new ATOM 0 HA LYS A 31 -3.665 -1.249 13.893 1.00 41.52 H new ATOM 0 HB2 LYS A 31 -6.332 -2.707 13.570 1.00 53.23 H new ATOM 0 HB3 LYS A 31 -6.138 -0.966 13.519 1.00 53.23 H new ATOM 0 HG2 LYS A 31 -4.741 -1.126 11.497 1.00 43.04 H new ATOM 0 HG3 LYS A 31 -4.746 -2.876 11.584 1.00 43.04 H new ATOM 0 HD2 LYS A 31 -6.343 -2.410 9.907 1.00 40.00 H new ATOM 0 HD3 LYS A 31 -7.325 -2.737 11.321 1.00 40.00 H new ATOM 0 HE2 LYS A 31 -6.607 0.061 10.335 1.00 63.54 H new ATOM 0 HE3 LYS A 31 -8.103 -0.768 9.952 1.00 63.54 H new ATOM 0 HZ1 LYS A 31 -8.829 0.359 11.720 1.00 34.41 H new ATOM 0 HZ2 LYS A 31 -8.142 -0.915 12.607 1.00 34.41 H new ATOM 0 HZ3 LYS A 31 -7.286 0.538 12.406 1.00 34.41 H new ATOM 491 N LYS A 32 -4.885 -2.872 16.453 1.00 31.15 N ATOM 492 CA LYS A 32 -4.982 -2.847 17.933 1.00 12.25 C ATOM 493 C LYS A 32 -3.628 -2.416 18.574 1.00 12.01 C ATOM 494 O LYS A 32 -3.572 -1.463 19.361 1.00 74.34 O ATOM 495 CB LYS A 32 -5.404 -4.261 18.435 1.00 12.33 C ATOM 496 CG LYS A 32 -5.360 -4.488 19.969 1.00 14.33 C ATOM 497 CD LYS A 32 -6.330 -3.578 20.759 1.00 61.30 C ATOM 498 CE LYS A 32 -6.248 -3.804 22.280 1.00 52.10 C ATOM 499 NZ LYS A 32 -7.146 -2.887 23.030 1.00 51.00 N ATOM 0 H LYS A 32 -4.969 -3.809 16.059 1.00 31.15 H new ATOM 0 HA LYS A 32 -5.732 -2.115 18.232 1.00 12.25 H new ATOM 0 HB2 LYS A 32 -6.419 -4.458 18.089 1.00 12.33 H new ATOM 0 HB3 LYS A 32 -4.757 -4.999 17.961 1.00 12.33 H new ATOM 0 HG2 LYS A 32 -5.600 -5.530 20.180 1.00 14.33 H new ATOM 0 HG3 LYS A 32 -4.344 -4.316 20.324 1.00 14.33 H new ATOM 0 HD2 LYS A 32 -6.105 -2.535 20.538 1.00 61.30 H new ATOM 0 HD3 LYS A 32 -7.350 -3.762 20.423 1.00 61.30 H new ATOM 0 HE2 LYS A 32 -6.513 -4.837 22.508 1.00 52.10 H new ATOM 0 HE3 LYS A 32 -5.221 -3.658 22.613 1.00 52.10 H new ATOM 0 HZ1 LYS A 32 -7.059 -3.073 24.050 1.00 51.00 H new ATOM 0 HZ2 LYS A 32 -6.878 -1.901 22.834 1.00 51.00 H new ATOM 0 HZ3 LYS A 32 -8.130 -3.044 22.732 1.00 51.00 H new ATOM 513 N ALA A 33 -2.547 -3.127 18.198 1.00 23.31 N ATOM 514 CA ALA A 33 -1.189 -2.934 18.775 1.00 5.04 C ATOM 515 C ALA A 33 -0.546 -1.578 18.371 1.00 43.30 C ATOM 516 O ALA A 33 0.319 -1.051 19.078 1.00 23.14 O ATOM 517 CB ALA A 33 -0.287 -4.100 18.344 1.00 61.13 C ATOM 0 H ALA A 33 -2.584 -3.855 17.484 1.00 23.31 H new ATOM 0 HA ALA A 33 -1.292 -2.915 19.860 1.00 5.04 H new ATOM 0 HB1 ALA A 33 0.710 -3.964 18.764 1.00 61.13 H new ATOM 0 HB2 ALA A 33 -0.708 -5.038 18.705 1.00 61.13 H new ATOM 0 HB3 ALA A 33 -0.222 -4.127 17.256 1.00 61.13 H new ATOM 523 N THR A 34 -0.968 -1.048 17.217 1.00 52.13 N ATOM 524 CA THR A 34 -0.467 0.232 16.650 1.00 32.31 C ATOM 525 C THR A 34 -1.418 1.415 16.963 1.00 70.53 C ATOM 526 O THR A 34 -1.015 2.580 16.854 1.00 23.31 O ATOM 527 CB THR A 34 -0.305 0.101 15.099 1.00 41.33 C ATOM 528 OG1 THR A 34 -1.582 -0.189 14.498 1.00 33.11 O ATOM 529 CG2 THR A 34 0.693 -1.012 14.718 1.00 54.52 C ATOM 0 H THR A 34 -1.677 -1.494 16.635 1.00 52.13 H new ATOM 0 HA THR A 34 0.497 0.438 17.114 1.00 32.31 H new ATOM 0 HB THR A 34 0.083 1.050 14.729 1.00 41.33 H new ATOM 0 HG1 THR A 34 -1.800 -1.135 14.634 1.00 33.11 H new ATOM 0 HG21 THR A 34 0.776 -1.070 13.633 1.00 54.52 H new ATOM 0 HG22 THR A 34 1.670 -0.787 15.146 1.00 54.52 H new ATOM 0 HG23 THR A 34 0.339 -1.967 15.106 1.00 54.52 H new ATOM 537 N LYS A 35 -2.689 1.090 17.318 1.00 10.32 N ATOM 538 CA LYS A 35 -3.759 2.079 17.638 1.00 35.31 C ATOM 539 C LYS A 35 -4.214 2.875 16.388 1.00 53.13 C ATOM 540 O LYS A 35 -4.735 3.995 16.500 1.00 51.12 O ATOM 541 CB LYS A 35 -3.359 3.031 18.814 1.00 73.41 C ATOM 542 CG LYS A 35 -3.337 2.362 20.206 1.00 43.33 C ATOM 543 CD LYS A 35 -4.735 1.860 20.649 1.00 50.13 C ATOM 544 CE LYS A 35 -5.777 2.986 20.790 1.00 13.43 C ATOM 545 NZ LYS A 35 -7.111 2.458 21.164 1.00 22.24 N ATOM 0 H LYS A 35 -3.006 0.123 17.392 1.00 10.32 H new ATOM 0 HA LYS A 35 -4.617 1.499 17.978 1.00 35.31 H new ATOM 0 HB2 LYS A 35 -2.372 3.445 18.609 1.00 73.41 H new ATOM 0 HB3 LYS A 35 -4.056 3.868 18.839 1.00 73.41 H new ATOM 0 HG2 LYS A 35 -2.642 1.523 20.190 1.00 43.33 H new ATOM 0 HG3 LYS A 35 -2.961 3.074 20.941 1.00 43.33 H new ATOM 0 HD2 LYS A 35 -5.096 1.130 19.925 1.00 50.13 H new ATOM 0 HD3 LYS A 35 -4.640 1.342 21.603 1.00 50.13 H new ATOM 0 HE2 LYS A 35 -5.443 3.698 21.545 1.00 13.43 H new ATOM 0 HE3 LYS A 35 -5.853 3.531 19.849 1.00 13.43 H new ATOM 0 HZ1 LYS A 35 -7.785 3.246 21.249 1.00 22.24 H new ATOM 0 HZ2 LYS A 35 -7.441 1.798 20.431 1.00 22.24 H new ATOM 0 HZ3 LYS A 35 -7.044 1.959 22.074 1.00 22.24 H new ATOM 559 N LEU A 36 -4.054 2.259 15.203 1.00 31.03 N ATOM 560 CA LEU A 36 -4.507 2.847 13.928 1.00 51.13 C ATOM 561 C LEU A 36 -6.041 2.730 13.799 1.00 53.44 C ATOM 562 O LEU A 36 -6.574 1.646 13.540 1.00 61.30 O ATOM 563 CB LEU A 36 -3.789 2.177 12.723 1.00 11.21 C ATOM 564 CG LEU A 36 -2.241 2.377 12.673 1.00 33.14 C ATOM 565 CD1 LEU A 36 -1.615 1.634 11.480 1.00 21.51 C ATOM 566 CD2 LEU A 36 -1.857 3.875 12.675 1.00 4.12 C ATOM 0 H LEU A 36 -3.610 1.346 15.101 1.00 31.03 H new ATOM 0 HA LEU A 36 -4.244 3.905 13.922 1.00 51.13 H new ATOM 0 HB2 LEU A 36 -4.000 1.108 12.744 1.00 11.21 H new ATOM 0 HB3 LEU A 36 -4.219 2.569 11.801 1.00 11.21 H new ATOM 0 HG LEU A 36 -1.829 1.939 13.582 1.00 33.14 H new ATOM 0 HD11 LEU A 36 -0.537 1.795 11.476 1.00 21.51 H new ATOM 0 HD12 LEU A 36 -1.822 0.567 11.566 1.00 21.51 H new ATOM 0 HD13 LEU A 36 -2.042 2.012 10.551 1.00 21.51 H new ATOM 0 HD21 LEU A 36 -0.772 3.973 12.640 1.00 4.12 H new ATOM 0 HD22 LEU A 36 -2.294 4.364 11.804 1.00 4.12 H new ATOM 0 HD23 LEU A 36 -2.234 4.346 13.583 1.00 4.12 H new ATOM 578 N LYS A 37 -6.730 3.859 14.047 1.00 2.25 N ATOM 579 CA LYS A 37 -8.192 3.999 13.868 1.00 41.11 C ATOM 580 C LYS A 37 -8.591 3.765 12.388 1.00 31.43 C ATOM 581 O LYS A 37 -9.560 3.054 12.096 1.00 12.41 O ATOM 582 CB LYS A 37 -8.632 5.415 14.342 1.00 60.11 C ATOM 583 CG LYS A 37 -10.131 5.751 14.138 1.00 2.23 C ATOM 584 CD LYS A 37 -10.475 7.198 14.575 1.00 73.14 C ATOM 585 CE LYS A 37 -11.944 7.577 14.302 1.00 43.31 C ATOM 586 NZ LYS A 37 -12.256 8.963 14.750 1.00 11.40 N ATOM 0 H LYS A 37 -6.283 4.713 14.382 1.00 2.25 H new ATOM 0 HA LYS A 37 -8.701 3.245 14.469 1.00 41.11 H new ATOM 0 HB2 LYS A 37 -8.396 5.514 15.402 1.00 60.11 H new ATOM 0 HB3 LYS A 37 -8.036 6.158 13.812 1.00 60.11 H new ATOM 0 HG2 LYS A 37 -10.391 5.620 13.088 1.00 2.23 H new ATOM 0 HG3 LYS A 37 -10.739 5.048 14.707 1.00 2.23 H new ATOM 0 HD2 LYS A 37 -10.269 7.309 15.640 1.00 73.14 H new ATOM 0 HD3 LYS A 37 -9.822 7.895 14.050 1.00 73.14 H new ATOM 0 HE2 LYS A 37 -12.150 7.486 13.235 1.00 43.31 H new ATOM 0 HE3 LYS A 37 -12.601 6.874 14.814 1.00 43.31 H new ATOM 0 HZ1 LYS A 37 -13.253 9.177 14.548 1.00 11.40 H new ATOM 0 HZ2 LYS A 37 -12.085 9.044 15.773 1.00 11.40 H new ATOM 0 HZ3 LYS A 37 -11.648 9.637 14.243 1.00 11.40 H new ATOM 600 N ALA A 38 -7.809 4.358 11.466 1.00 74.10 N ATOM 601 CA ALA A 38 -8.042 4.248 10.009 1.00 1.34 C ATOM 602 C ALA A 38 -7.428 2.957 9.411 1.00 45.43 C ATOM 603 O ALA A 38 -6.379 2.475 9.858 1.00 14.50 O ATOM 604 CB ALA A 38 -7.466 5.480 9.294 1.00 72.45 C ATOM 0 H ALA A 38 -6.998 4.927 11.708 1.00 74.10 H new ATOM 0 HA ALA A 38 -9.120 4.198 9.854 1.00 1.34 H new ATOM 0 HB1 ALA A 38 -7.641 5.393 8.222 1.00 72.45 H new ATOM 0 HB2 ALA A 38 -7.954 6.380 9.669 1.00 72.45 H new ATOM 0 HB3 ALA A 38 -6.394 5.543 9.483 1.00 72.45 H new ATOM 610 N ASP A 39 -8.117 2.414 8.393 1.00 52.42 N ATOM 611 CA ASP A 39 -7.634 1.284 7.561 1.00 1.11 C ATOM 612 C ASP A 39 -6.412 1.688 6.700 1.00 42.23 C ATOM 613 O ASP A 39 -5.487 0.898 6.497 1.00 14.53 O ATOM 614 CB ASP A 39 -8.799 0.776 6.663 1.00 41.00 C ATOM 615 CG ASP A 39 -9.440 1.883 5.796 1.00 52.32 C ATOM 616 OD1 ASP A 39 -10.372 2.563 6.275 1.00 42.02 O ATOM 617 OD2 ASP A 39 -9.015 2.082 4.633 1.00 52.11 O ATOM 0 H ASP A 39 -9.040 2.748 8.116 1.00 52.42 H new ATOM 0 HA ASP A 39 -7.305 0.481 8.221 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.426 -0.014 6.011 1.00 41.00 H new ATOM 0 HB3 ASP A 39 -9.567 0.331 7.296 1.00 41.00 H new ATOM 622 N LYS A 40 -6.447 2.942 6.232 1.00 53.22 N ATOM 623 CA LYS A 40 -5.469 3.529 5.280 1.00 73.13 C ATOM 624 C LYS A 40 -4.011 3.380 5.760 1.00 1.24 C ATOM 625 O LYS A 40 -3.138 2.922 5.019 1.00 12.52 O ATOM 626 CB LYS A 40 -5.800 5.030 5.112 1.00 52.41 C ATOM 627 CG LYS A 40 -7.275 5.321 4.743 1.00 42.43 C ATOM 628 CD LYS A 40 -7.610 5.004 3.275 1.00 10.21 C ATOM 629 CE LYS A 40 -9.061 5.358 2.907 1.00 63.42 C ATOM 630 NZ LYS A 40 -9.319 5.185 1.461 1.00 23.33 N ATOM 0 H LYS A 40 -7.174 3.603 6.507 1.00 53.22 H new ATOM 0 HA LYS A 40 -5.551 2.992 4.335 1.00 73.13 H new ATOM 0 HB2 LYS A 40 -5.561 5.549 6.040 1.00 52.41 H new ATOM 0 HB3 LYS A 40 -5.155 5.448 4.339 1.00 52.41 H new ATOM 0 HG2 LYS A 40 -7.927 4.735 5.392 1.00 42.43 H new ATOM 0 HG3 LYS A 40 -7.491 6.371 4.939 1.00 42.43 H new ATOM 0 HD2 LYS A 40 -6.930 5.554 2.625 1.00 10.21 H new ATOM 0 HD3 LYS A 40 -7.441 3.943 3.089 1.00 10.21 H new ATOM 0 HE2 LYS A 40 -9.744 4.728 3.476 1.00 63.42 H new ATOM 0 HE3 LYS A 40 -9.267 6.390 3.192 1.00 63.42 H new ATOM 0 HZ1 LYS A 40 -10.320 5.384 1.261 1.00 23.33 H new ATOM 0 HZ2 LYS A 40 -8.720 5.842 0.921 1.00 23.33 H new ATOM 0 HZ3 LYS A 40 -9.098 4.207 1.184 1.00 23.33 H new ATOM 644 N ASP A 41 -3.797 3.743 7.029 1.00 41.22 N ATOM 645 CA ASP A 41 -2.474 3.764 7.673 1.00 51.14 C ATOM 646 C ASP A 41 -1.858 2.349 7.791 1.00 31.24 C ATOM 647 O ASP A 41 -0.627 2.192 7.780 1.00 72.21 O ATOM 648 CB ASP A 41 -2.605 4.431 9.058 1.00 32.41 C ATOM 649 CG ASP A 41 -3.029 5.904 8.960 1.00 33.00 C ATOM 650 OD1 ASP A 41 -4.215 6.176 8.663 1.00 73.30 O ATOM 651 OD2 ASP A 41 -2.184 6.799 9.172 1.00 12.20 O ATOM 0 H ASP A 41 -4.550 4.036 7.651 1.00 41.22 H new ATOM 0 HA ASP A 41 -1.792 4.341 7.049 1.00 51.14 H new ATOM 0 HB2 ASP A 41 -3.336 3.884 9.654 1.00 32.41 H new ATOM 0 HB3 ASP A 41 -1.652 4.364 9.582 1.00 32.41 H new ATOM 656 N PHE A 42 -2.726 1.327 7.903 1.00 43.41 N ATOM 657 CA PHE A 42 -2.298 -0.085 7.880 1.00 45.13 C ATOM 658 C PHE A 42 -1.701 -0.457 6.498 1.00 64.31 C ATOM 659 O PHE A 42 -0.658 -1.096 6.428 1.00 41.23 O ATOM 660 CB PHE A 42 -3.482 -1.030 8.231 1.00 33.35 C ATOM 661 CG PHE A 42 -3.111 -2.513 8.185 1.00 13.51 C ATOM 662 CD1 PHE A 42 -2.382 -3.093 9.221 1.00 74.42 C ATOM 663 CD2 PHE A 42 -3.455 -3.320 7.092 1.00 44.35 C ATOM 664 CE1 PHE A 42 -2.014 -4.419 9.170 1.00 32.43 C ATOM 665 CE2 PHE A 42 -3.087 -4.650 7.051 1.00 32.22 C ATOM 666 CZ PHE A 42 -2.363 -5.198 8.090 1.00 24.13 C ATOM 0 H PHE A 42 -3.732 1.453 8.011 1.00 43.41 H new ATOM 0 HA PHE A 42 -1.523 -0.212 8.636 1.00 45.13 H new ATOM 0 HB2 PHE A 42 -3.849 -0.786 9.228 1.00 33.35 H new ATOM 0 HB3 PHE A 42 -4.302 -0.847 7.536 1.00 33.35 H new ATOM 0 HD1 PHE A 42 -2.102 -2.495 10.075 1.00 74.42 H new ATOM 0 HD2 PHE A 42 -4.015 -2.896 6.272 1.00 44.35 H new ATOM 0 HE1 PHE A 42 -1.448 -4.850 9.982 1.00 32.43 H new ATOM 0 HE2 PHE A 42 -3.366 -5.262 6.206 1.00 32.22 H new ATOM 0 HZ PHE A 42 -2.070 -6.237 8.056 1.00 24.13 H new ATOM 676 N PHE A 43 -2.389 -0.049 5.413 1.00 30.35 N ATOM 677 CA PHE A 43 -1.995 -0.398 4.020 1.00 21.40 C ATOM 678 C PHE A 43 -0.666 0.278 3.602 1.00 35.12 C ATOM 679 O PHE A 43 0.136 -0.315 2.877 1.00 3.33 O ATOM 680 CB PHE A 43 -3.121 -0.014 3.023 1.00 12.24 C ATOM 681 CG PHE A 43 -4.487 -0.598 3.374 1.00 32.13 C ATOM 682 CD1 PHE A 43 -4.627 -1.954 3.679 1.00 72.12 C ATOM 683 CD2 PHE A 43 -5.624 0.207 3.418 1.00 14.30 C ATOM 684 CE1 PHE A 43 -5.856 -2.482 4.013 1.00 33.00 C ATOM 685 CE2 PHE A 43 -6.853 -0.317 3.751 1.00 14.43 C ATOM 686 CZ PHE A 43 -6.973 -1.662 4.051 1.00 71.24 C ATOM 0 H PHE A 43 -3.228 0.528 5.469 1.00 30.35 H new ATOM 0 HA PHE A 43 -1.840 -1.477 3.993 1.00 21.40 H new ATOM 0 HB2 PHE A 43 -3.201 1.072 2.982 1.00 12.24 H new ATOM 0 HB3 PHE A 43 -2.839 -0.350 2.025 1.00 12.24 H new ATOM 0 HD1 PHE A 43 -3.760 -2.598 3.653 1.00 72.12 H new ATOM 0 HD2 PHE A 43 -5.540 1.259 3.187 1.00 14.30 H new ATOM 0 HE1 PHE A 43 -5.948 -3.533 4.245 1.00 33.00 H new ATOM 0 HE2 PHE A 43 -7.723 0.322 3.778 1.00 14.43 H new ATOM 0 HZ PHE A 43 -7.936 -2.073 4.315 1.00 71.24 H new ATOM 696 N LEU A 44 -0.456 1.524 4.065 1.00 24.22 N ATOM 697 CA LEU A 44 0.794 2.286 3.812 1.00 12.23 C ATOM 698 C LEU A 44 1.990 1.675 4.592 1.00 14.24 C ATOM 699 O LEU A 44 3.100 1.563 4.053 1.00 2.14 O ATOM 700 CB LEU A 44 0.601 3.796 4.166 1.00 73.44 C ATOM 701 CG LEU A 44 -0.060 4.701 3.062 1.00 21.23 C ATOM 702 CD1 LEU A 44 -1.473 4.217 2.661 1.00 3.10 C ATOM 703 CD2 LEU A 44 -0.081 6.187 3.500 1.00 2.33 C ATOM 0 H LEU A 44 -1.141 2.034 4.623 1.00 24.22 H new ATOM 0 HA LEU A 44 1.024 2.215 2.749 1.00 12.23 H new ATOM 0 HB2 LEU A 44 -0.008 3.859 5.068 1.00 73.44 H new ATOM 0 HB3 LEU A 44 1.577 4.216 4.411 1.00 73.44 H new ATOM 0 HG LEU A 44 0.563 4.614 2.172 1.00 21.23 H new ATOM 0 HD11 LEU A 44 -1.881 4.878 1.897 1.00 3.10 H new ATOM 0 HD12 LEU A 44 -1.412 3.202 2.268 1.00 3.10 H new ATOM 0 HD13 LEU A 44 -2.123 4.229 3.536 1.00 3.10 H new ATOM 0 HD21 LEU A 44 -0.543 6.790 2.719 1.00 2.33 H new ATOM 0 HD22 LEU A 44 -0.654 6.287 4.422 1.00 2.33 H new ATOM 0 HD23 LEU A 44 0.939 6.531 3.668 1.00 2.33 H new ATOM 715 N GLY A 45 1.738 1.275 5.859 1.00 44.43 N ATOM 716 CA GLY A 45 2.756 0.607 6.691 1.00 74.43 C ATOM 717 C GLY A 45 3.170 -0.766 6.148 1.00 22.23 C ATOM 718 O GLY A 45 4.349 -1.022 5.902 1.00 23.44 O ATOM 0 H GLY A 45 0.839 1.404 6.324 1.00 44.43 H new ATOM 0 HA2 GLY A 45 3.637 1.245 6.759 1.00 74.43 H new ATOM 0 HA3 GLY A 45 2.369 0.489 7.703 1.00 74.43 H new ATOM 722 N LEU A 46 2.165 -1.624 5.923 1.00 32.33 N ATOM 723 CA LEU A 46 2.339 -2.997 5.386 1.00 54.34 C ATOM 724 C LEU A 46 2.932 -2.987 3.952 1.00 43.51 C ATOM 725 O LEU A 46 3.716 -3.869 3.577 1.00 12.05 O ATOM 726 CB LEU A 46 0.963 -3.718 5.389 1.00 3.15 C ATOM 727 CG LEU A 46 0.959 -5.204 4.914 1.00 72.31 C ATOM 728 CD1 LEU A 46 1.841 -6.074 5.831 1.00 20.44 C ATOM 729 CD2 LEU A 46 -0.482 -5.765 4.808 1.00 63.10 C ATOM 0 H LEU A 46 1.190 -1.388 6.109 1.00 32.33 H new ATOM 0 HA LEU A 46 3.045 -3.529 6.024 1.00 54.34 H new ATOM 0 HB2 LEU A 46 0.560 -3.682 6.401 1.00 3.15 H new ATOM 0 HB3 LEU A 46 0.280 -3.154 4.754 1.00 3.15 H new ATOM 0 HG LEU A 46 1.387 -5.236 3.912 1.00 72.31 H new ATOM 0 HD11 LEU A 46 1.823 -7.106 5.481 1.00 20.44 H new ATOM 0 HD12 LEU A 46 2.865 -5.702 5.811 1.00 20.44 H new ATOM 0 HD13 LEU A 46 1.459 -6.030 6.851 1.00 20.44 H new ATOM 0 HD21 LEU A 46 -0.445 -6.802 4.474 1.00 63.10 H new ATOM 0 HD22 LEU A 46 -0.965 -5.715 5.784 1.00 63.10 H new ATOM 0 HD23 LEU A 46 -1.051 -5.173 4.091 1.00 63.10 H new ATOM 741 N GLY A 47 2.561 -1.955 3.178 1.00 21.43 N ATOM 742 CA GLY A 47 3.012 -1.795 1.788 1.00 32.11 C ATOM 743 C GLY A 47 4.495 -1.437 1.683 1.00 61.14 C ATOM 744 O GLY A 47 5.172 -1.798 0.712 1.00 34.43 O ATOM 0 H GLY A 47 1.942 -1.210 3.498 1.00 21.43 H new ATOM 0 HA2 GLY A 47 2.827 -2.720 1.242 1.00 32.11 H new ATOM 0 HA3 GLY A 47 2.420 -1.017 1.306 1.00 32.11 H new ATOM 748 N TRP A 48 4.998 -0.710 2.697 1.00 43.51 N ATOM 749 CA TRP A 48 6.421 -0.329 2.785 1.00 20.24 C ATOM 750 C TRP A 48 7.308 -1.547 3.193 1.00 13.44 C ATOM 751 O TRP A 48 8.490 -1.618 2.848 1.00 72.23 O ATOM 752 CB TRP A 48 6.598 0.848 3.784 1.00 64.11 C ATOM 753 CG TRP A 48 7.933 1.523 3.631 1.00 1.44 C ATOM 754 CD1 TRP A 48 9.097 1.259 4.304 1.00 12.54 C ATOM 755 CD2 TRP A 48 8.242 2.546 2.684 1.00 64.55 C ATOM 756 NE1 TRP A 48 10.105 2.043 3.814 1.00 32.03 N ATOM 757 CE2 TRP A 48 9.605 2.842 2.822 1.00 10.24 C ATOM 758 CE3 TRP A 48 7.490 3.229 1.723 1.00 23.22 C ATOM 759 CZ2 TRP A 48 10.236 3.793 2.040 1.00 42.43 C ATOM 760 CZ3 TRP A 48 8.118 4.179 0.947 1.00 63.10 C ATOM 761 CH2 TRP A 48 9.483 4.446 1.104 1.00 52.45 C ATOM 0 H TRP A 48 4.433 -0.371 3.476 1.00 43.51 H new ATOM 0 HA TRP A 48 6.750 -0.001 1.799 1.00 20.24 H new ATOM 0 HB2 TRP A 48 5.803 1.578 3.629 1.00 64.11 H new ATOM 0 HB3 TRP A 48 6.495 0.476 4.803 1.00 64.11 H new ATOM 0 HD1 TRP A 48 9.203 0.539 5.102 1.00 12.54 H new ATOM 0 HE1 TRP A 48 11.073 2.034 4.136 1.00 32.03 H new ATOM 0 HE3 TRP A 48 6.439 3.016 1.592 1.00 23.22 H new ATOM 0 HZ2 TRP A 48 11.286 4.012 2.164 1.00 42.43 H new ATOM 0 HZ3 TRP A 48 7.550 4.725 0.208 1.00 63.10 H new ATOM 0 HH2 TRP A 48 9.952 5.185 0.471 1.00 52.45 H new ATOM 772 N LEU A 49 6.715 -2.493 3.942 1.00 3.11 N ATOM 773 CA LEU A 49 7.355 -3.791 4.304 1.00 43.25 C ATOM 774 C LEU A 49 7.664 -4.651 3.046 1.00 71.04 C ATOM 775 O LEU A 49 8.594 -5.469 3.064 1.00 50.31 O ATOM 776 CB LEU A 49 6.449 -4.565 5.314 1.00 72.15 C ATOM 777 CG LEU A 49 6.612 -4.222 6.838 1.00 3.23 C ATOM 778 CD1 LEU A 49 6.766 -2.727 7.079 1.00 41.31 C ATOM 779 CD2 LEU A 49 5.437 -4.792 7.668 1.00 15.12 C ATOM 0 H LEU A 49 5.774 -2.388 4.320 1.00 3.11 H new ATOM 0 HA LEU A 49 8.312 -3.580 4.782 1.00 43.25 H new ATOM 0 HB2 LEU A 49 5.409 -4.389 5.038 1.00 72.15 H new ATOM 0 HB3 LEU A 49 6.636 -5.631 5.186 1.00 72.15 H new ATOM 0 HG LEU A 49 7.533 -4.700 7.171 1.00 3.23 H new ATOM 0 HD11 LEU A 49 6.875 -2.540 8.147 1.00 41.31 H new ATOM 0 HD12 LEU A 49 7.649 -2.363 6.554 1.00 41.31 H new ATOM 0 HD13 LEU A 49 5.883 -2.206 6.708 1.00 41.31 H new ATOM 0 HD21 LEU A 49 5.577 -4.539 8.719 1.00 15.12 H new ATOM 0 HD22 LEU A 49 4.500 -4.363 7.314 1.00 15.12 H new ATOM 0 HD23 LEU A 49 5.405 -5.876 7.557 1.00 15.12 H new ATOM 791 N LEU A 50 6.848 -4.475 1.980 1.00 34.31 N ATOM 792 CA LEU A 50 7.086 -5.094 0.646 1.00 54.50 C ATOM 793 C LEU A 50 8.398 -4.580 -0.014 1.00 43.04 C ATOM 794 O LEU A 50 9.042 -5.329 -0.752 1.00 0.52 O ATOM 795 CB LEU A 50 5.872 -4.871 -0.302 1.00 51.11 C ATOM 796 CG LEU A 50 4.522 -5.528 0.147 1.00 32.30 C ATOM 797 CD1 LEU A 50 3.392 -5.245 -0.871 1.00 14.12 C ATOM 798 CD2 LEU A 50 4.693 -7.049 0.397 1.00 50.42 C ATOM 0 H LEU A 50 6.006 -3.901 2.016 1.00 34.31 H new ATOM 0 HA LEU A 50 7.202 -6.165 0.812 1.00 54.50 H new ATOM 0 HB2 LEU A 50 5.713 -3.798 -0.410 1.00 51.11 H new ATOM 0 HB3 LEU A 50 6.131 -5.256 -1.288 1.00 51.11 H new ATOM 0 HG LEU A 50 4.231 -5.071 1.093 1.00 32.30 H new ATOM 0 HD11 LEU A 50 2.469 -5.714 -0.530 1.00 14.12 H new ATOM 0 HD12 LEU A 50 3.241 -4.169 -0.957 1.00 14.12 H new ATOM 0 HD13 LEU A 50 3.668 -5.652 -1.844 1.00 14.12 H new ATOM 0 HD21 LEU A 50 3.739 -7.476 0.707 1.00 50.42 H new ATOM 0 HD22 LEU A 50 5.026 -7.533 -0.521 1.00 50.42 H new ATOM 0 HD23 LEU A 50 5.434 -7.208 1.181 1.00 50.42 H new ATOM 810 N ARG A 51 8.765 -3.293 0.232 1.00 41.22 N ATOM 811 CA ARG A 51 10.078 -2.732 -0.212 1.00 51.24 C ATOM 812 C ARG A 51 11.254 -3.539 0.370 1.00 64.02 C ATOM 813 O ARG A 51 12.265 -3.787 -0.305 1.00 10.14 O ATOM 814 CB ARG A 51 10.263 -1.241 0.210 1.00 1.44 C ATOM 815 CG ARG A 51 9.340 -0.233 -0.503 1.00 3.33 C ATOM 816 CD ARG A 51 9.879 1.208 -0.467 1.00 1.41 C ATOM 817 NE ARG A 51 11.286 1.306 -0.922 1.00 43.05 N ATOM 818 CZ ARG A 51 11.805 2.300 -1.618 1.00 40.33 C ATOM 819 NH1 ARG A 51 11.078 3.286 -2.031 1.00 24.01 N ATOM 820 NH2 ARG A 51 13.064 2.287 -1.907 1.00 1.11 N ATOM 0 H ARG A 51 8.177 -2.626 0.732 1.00 41.22 H new ATOM 0 HA ARG A 51 10.074 -2.797 -1.300 1.00 51.24 H new ATOM 0 HB2 ARG A 51 10.098 -1.162 1.285 1.00 1.44 H new ATOM 0 HB3 ARG A 51 11.298 -0.954 0.025 1.00 1.44 H new ATOM 0 HG2 ARG A 51 9.209 -0.540 -1.541 1.00 3.33 H new ATOM 0 HG3 ARG A 51 8.355 -0.258 -0.037 1.00 3.33 H new ATOM 0 HD2 ARG A 51 9.253 1.841 -1.096 1.00 1.41 H new ATOM 0 HD3 ARG A 51 9.803 1.594 0.549 1.00 1.41 H new ATOM 0 HE ARG A 51 11.909 0.537 -0.675 1.00 43.05 H new ATOM 0 HH11 ARG A 51 10.080 3.307 -1.820 1.00 24.01 H new ATOM 0 HH12 ARG A 51 11.502 4.043 -2.567 1.00 24.01 H new ATOM 0 HH21 ARG A 51 13.650 1.512 -1.598 1.00 1.11 H new ATOM 0 HH22 ARG A 51 13.472 3.052 -2.445 1.00 1.11 H new ATOM 834 N GLU A 52 11.100 -3.930 1.636 1.00 64.05 N ATOM 835 CA GLU A 52 12.146 -4.613 2.395 1.00 54.42 C ATOM 836 C GLU A 52 12.115 -6.134 2.146 1.00 3.33 C ATOM 837 O GLU A 52 13.144 -6.809 2.287 1.00 0.03 O ATOM 838 CB GLU A 52 11.957 -4.297 3.897 1.00 45.03 C ATOM 839 CG GLU A 52 11.798 -2.789 4.233 1.00 75.24 C ATOM 840 CD GLU A 52 13.009 -1.925 3.834 1.00 10.01 C ATOM 841 OE1 GLU A 52 13.969 -1.822 4.631 1.00 62.42 O ATOM 842 OE2 GLU A 52 13.006 -1.335 2.727 1.00 45.24 O ATOM 0 H GLU A 52 10.241 -3.780 2.165 1.00 64.05 H new ATOM 0 HA GLU A 52 13.121 -4.255 2.065 1.00 54.42 H new ATOM 0 HB2 GLU A 52 11.077 -4.829 4.257 1.00 45.03 H new ATOM 0 HB3 GLU A 52 12.813 -4.688 4.446 1.00 45.03 H new ATOM 0 HG2 GLU A 52 10.911 -2.407 3.728 1.00 75.24 H new ATOM 0 HG3 GLU A 52 11.626 -2.682 5.304 1.00 75.24 H new ATOM 849 N ASP A 53 10.904 -6.655 1.803 1.00 15.03 N ATOM 850 CA ASP A 53 10.628 -8.105 1.631 1.00 5.31 C ATOM 851 C ASP A 53 10.905 -8.896 2.943 1.00 71.33 C ATOM 852 O ASP A 53 11.164 -10.105 2.928 1.00 63.42 O ATOM 853 CB ASP A 53 11.412 -8.678 0.419 1.00 14.15 C ATOM 854 CG ASP A 53 11.066 -7.954 -0.893 1.00 23.34 C ATOM 855 OD1 ASP A 53 10.031 -8.288 -1.515 1.00 64.33 O ATOM 856 OD2 ASP A 53 11.825 -7.047 -1.311 1.00 41.43 O ATOM 0 H ASP A 53 10.085 -6.071 1.637 1.00 15.03 H new ATOM 0 HA ASP A 53 9.567 -8.226 1.413 1.00 5.31 H new ATOM 0 HB2 ASP A 53 12.482 -8.592 0.608 1.00 14.15 H new ATOM 0 HB3 ASP A 53 11.191 -9.740 0.315 1.00 14.15 H new ATOM 861 N LYS A 54 10.773 -8.183 4.083 1.00 65.22 N ATOM 862 CA LYS A 54 10.983 -8.749 5.434 1.00 4.21 C ATOM 863 C LYS A 54 9.705 -9.435 5.965 1.00 62.40 C ATOM 864 O LYS A 54 9.714 -10.048 7.043 1.00 12.43 O ATOM 865 CB LYS A 54 11.488 -7.639 6.399 1.00 41.41 C ATOM 866 CG LYS A 54 10.567 -6.406 6.574 1.00 74.35 C ATOM 867 CD LYS A 54 11.269 -5.295 7.401 1.00 34.52 C ATOM 868 CE LYS A 54 10.441 -4.009 7.551 1.00 54.40 C ATOM 869 NZ LYS A 54 11.182 -2.967 8.308 1.00 35.20 N ATOM 0 H LYS A 54 10.517 -7.196 4.092 1.00 65.22 H new ATOM 0 HA LYS A 54 11.748 -9.523 5.373 1.00 4.21 H new ATOM 0 HB2 LYS A 54 11.649 -8.087 7.380 1.00 41.41 H new ATOM 0 HB3 LYS A 54 12.458 -7.293 6.043 1.00 41.41 H new ATOM 0 HG2 LYS A 54 10.289 -6.014 5.595 1.00 74.35 H new ATOM 0 HG3 LYS A 54 9.644 -6.705 7.071 1.00 74.35 H new ATOM 0 HD2 LYS A 54 11.498 -5.685 8.393 1.00 34.52 H new ATOM 0 HD3 LYS A 54 12.220 -5.050 6.927 1.00 34.52 H new ATOM 0 HE2 LYS A 54 10.180 -3.626 6.564 1.00 54.40 H new ATOM 0 HE3 LYS A 54 9.506 -4.235 8.063 1.00 54.40 H new ATOM 0 HZ1 LYS A 54 10.594 -2.113 8.390 1.00 35.20 H new ATOM 0 HZ2 LYS A 54 11.409 -3.324 9.258 1.00 35.20 H new ATOM 0 HZ3 LYS A 54 12.063 -2.734 7.806 1.00 35.20 H new ATOM 883 N VAL A 55 8.613 -9.348 5.178 1.00 12.11 N ATOM 884 CA VAL A 55 7.321 -9.995 5.493 1.00 1.45 C ATOM 885 C VAL A 55 6.773 -10.764 4.269 1.00 42.11 C ATOM 886 O VAL A 55 7.221 -10.566 3.128 1.00 63.15 O ATOM 887 CB VAL A 55 6.231 -8.963 5.971 1.00 50.34 C ATOM 888 CG1 VAL A 55 6.697 -8.177 7.219 1.00 4.43 C ATOM 889 CG2 VAL A 55 5.804 -8.013 4.818 1.00 41.11 C ATOM 0 H VAL A 55 8.602 -8.825 4.302 1.00 12.11 H new ATOM 0 HA VAL A 55 7.522 -10.688 6.310 1.00 1.45 H new ATOM 0 HB VAL A 55 5.349 -9.533 6.264 1.00 50.34 H new ATOM 0 HG11 VAL A 55 5.919 -7.475 7.519 1.00 4.43 H new ATOM 0 HG12 VAL A 55 6.892 -8.873 8.035 1.00 4.43 H new ATOM 0 HG13 VAL A 55 7.609 -7.628 6.984 1.00 4.43 H new ATOM 0 HG21 VAL A 55 5.051 -7.314 5.182 1.00 41.11 H new ATOM 0 HG22 VAL A 55 6.673 -7.458 4.463 1.00 41.11 H new ATOM 0 HG23 VAL A 55 5.388 -8.599 3.999 1.00 41.11 H new ATOM 899 N VAL A 56 5.794 -11.637 4.532 1.00 15.35 N ATOM 900 CA VAL A 56 5.039 -12.371 3.505 1.00 34.55 C ATOM 901 C VAL A 56 3.551 -12.472 3.927 1.00 41.55 C ATOM 902 O VAL A 56 3.238 -12.715 5.099 1.00 1.22 O ATOM 903 CB VAL A 56 5.686 -13.788 3.219 1.00 60.24 C ATOM 904 CG1 VAL A 56 5.849 -14.628 4.513 1.00 42.43 C ATOM 905 CG2 VAL A 56 4.905 -14.568 2.125 1.00 3.41 C ATOM 0 H VAL A 56 5.497 -11.859 5.482 1.00 15.35 H new ATOM 0 HA VAL A 56 5.084 -11.822 2.564 1.00 34.55 H new ATOM 0 HB VAL A 56 6.688 -13.603 2.833 1.00 60.24 H new ATOM 0 HG11 VAL A 56 6.296 -15.591 4.268 1.00 42.43 H new ATOM 0 HG12 VAL A 56 6.493 -14.096 5.213 1.00 42.43 H new ATOM 0 HG13 VAL A 56 4.872 -14.788 4.969 1.00 42.43 H new ATOM 0 HG21 VAL A 56 5.380 -15.535 1.958 1.00 3.41 H new ATOM 0 HG22 VAL A 56 3.876 -14.721 2.452 1.00 3.41 H new ATOM 0 HG23 VAL A 56 4.910 -13.996 1.197 1.00 3.41 H new ATOM 915 N THR A 57 2.639 -12.267 2.961 1.00 43.33 N ATOM 916 CA THR A 57 1.190 -12.125 3.228 1.00 41.02 C ATOM 917 C THR A 57 0.414 -13.408 2.848 1.00 2.11 C ATOM 918 O THR A 57 0.701 -14.053 1.832 1.00 63.02 O ATOM 919 CB THR A 57 0.589 -10.900 2.451 1.00 21.31 C ATOM 920 OG1 THR A 57 0.828 -11.042 1.035 1.00 23.15 O ATOM 921 CG2 THR A 57 1.183 -9.558 2.942 1.00 42.01 C ATOM 0 H THR A 57 2.881 -12.195 1.973 1.00 43.33 H new ATOM 0 HA THR A 57 1.080 -11.956 4.299 1.00 41.02 H new ATOM 0 HB THR A 57 -0.483 -10.887 2.646 1.00 21.31 H new ATOM 0 HG1 THR A 57 1.064 -10.170 0.654 1.00 23.15 H new ATOM 0 HG21 THR A 57 0.741 -8.736 2.379 1.00 42.01 H new ATOM 0 HG22 THR A 57 0.965 -9.430 4.002 1.00 42.01 H new ATOM 0 HG23 THR A 57 2.263 -9.561 2.791 1.00 42.01 H new ATOM 929 N SER A 58 -0.564 -13.768 3.696 1.00 41.10 N ATOM 930 CA SER A 58 -1.451 -14.936 3.503 1.00 20.23 C ATOM 931 C SER A 58 -2.932 -14.503 3.559 1.00 45.12 C ATOM 932 O SER A 58 -3.305 -13.616 4.335 1.00 22.01 O ATOM 933 CB SER A 58 -1.177 -16.005 4.595 1.00 52.13 C ATOM 934 OG SER A 58 0.177 -16.445 4.579 1.00 54.24 O ATOM 0 H SER A 58 -0.767 -13.249 4.550 1.00 41.10 H new ATOM 0 HA SER A 58 -1.245 -15.366 2.523 1.00 20.23 H new ATOM 0 HB2 SER A 58 -1.413 -15.591 5.575 1.00 52.13 H new ATOM 0 HB3 SER A 58 -1.838 -16.858 4.442 1.00 52.13 H new ATOM 0 HG SER A 58 0.311 -17.116 5.281 1.00 54.24 H new ATOM 940 N GLU A 59 -3.771 -15.149 2.742 1.00 11.14 N ATOM 941 CA GLU A 59 -5.227 -14.909 2.721 1.00 65.12 C ATOM 942 C GLU A 59 -5.926 -15.991 3.569 1.00 72.43 C ATOM 943 O GLU A 59 -6.004 -17.151 3.156 1.00 0.14 O ATOM 944 CB GLU A 59 -5.749 -14.936 1.259 1.00 33.43 C ATOM 945 CG GLU A 59 -7.249 -14.616 1.099 1.00 61.22 C ATOM 946 CD GLU A 59 -7.749 -14.802 -0.345 1.00 72.24 C ATOM 947 OE1 GLU A 59 -7.561 -13.887 -1.174 1.00 12.40 O ATOM 948 OE2 GLU A 59 -8.313 -15.874 -0.657 1.00 72.40 O ATOM 0 H GLU A 59 -3.464 -15.855 2.073 1.00 11.14 H new ATOM 0 HA GLU A 59 -5.446 -13.928 3.141 1.00 65.12 H new ATOM 0 HB2 GLU A 59 -5.175 -14.220 0.670 1.00 33.43 H new ATOM 0 HB3 GLU A 59 -5.556 -15.923 0.838 1.00 33.43 H new ATOM 0 HG2 GLU A 59 -7.826 -15.259 1.764 1.00 61.22 H new ATOM 0 HG3 GLU A 59 -7.432 -13.588 1.412 1.00 61.22 H new ATOM 955 N VAL A 60 -6.382 -15.619 4.778 1.00 75.31 N ATOM 956 CA VAL A 60 -7.058 -16.549 5.714 1.00 2.03 C ATOM 957 C VAL A 60 -8.540 -16.152 5.895 1.00 55.43 C ATOM 958 O VAL A 60 -8.836 -15.123 6.499 1.00 1.53 O ATOM 959 CB VAL A 60 -6.341 -16.581 7.126 1.00 11.33 C ATOM 960 CG1 VAL A 60 -7.076 -17.512 8.131 1.00 74.41 C ATOM 961 CG2 VAL A 60 -4.860 -17.005 6.993 1.00 43.40 C ATOM 0 H VAL A 60 -6.295 -14.669 5.138 1.00 75.31 H new ATOM 0 HA VAL A 60 -7.000 -17.546 5.278 1.00 2.03 H new ATOM 0 HB VAL A 60 -6.380 -15.565 7.520 1.00 11.33 H new ATOM 0 HG11 VAL A 60 -6.550 -17.504 9.086 1.00 74.41 H new ATOM 0 HG12 VAL A 60 -8.097 -17.158 8.276 1.00 74.41 H new ATOM 0 HG13 VAL A 60 -7.097 -18.528 7.737 1.00 74.41 H new ATOM 0 HG21 VAL A 60 -4.395 -17.017 7.979 1.00 43.40 H new ATOM 0 HG22 VAL A 60 -4.805 -18.001 6.553 1.00 43.40 H new ATOM 0 HG23 VAL A 60 -4.335 -16.296 6.353 1.00 43.40 H new ATOM 971 N GLU A 61 -9.450 -16.986 5.350 1.00 64.01 N ATOM 972 CA GLU A 61 -10.921 -16.907 5.592 1.00 53.40 C ATOM 973 C GLU A 61 -11.540 -15.498 5.321 1.00 22.52 C ATOM 974 O GLU A 61 -12.533 -15.107 5.951 1.00 33.32 O ATOM 975 CB GLU A 61 -11.206 -17.394 7.047 1.00 4.15 C ATOM 976 CG GLU A 61 -10.562 -18.759 7.386 1.00 42.40 C ATOM 977 CD GLU A 61 -11.055 -19.900 6.478 1.00 41.30 C ATOM 978 OE1 GLU A 61 -12.198 -20.372 6.667 1.00 32.41 O ATOM 979 OE2 GLU A 61 -10.312 -20.317 5.560 1.00 61.52 O ATOM 0 H GLU A 61 -9.189 -17.745 4.721 1.00 64.01 H new ATOM 0 HA GLU A 61 -11.414 -17.557 4.869 1.00 53.40 H new ATOM 0 HB2 GLU A 61 -10.839 -16.645 7.749 1.00 4.15 H new ATOM 0 HB3 GLU A 61 -12.284 -17.465 7.192 1.00 4.15 H new ATOM 0 HG2 GLU A 61 -9.479 -18.675 7.298 1.00 42.40 H new ATOM 0 HG3 GLU A 61 -10.779 -19.009 8.424 1.00 42.40 H new ATOM 986 N GLY A 62 -10.956 -14.767 4.351 1.00 61.24 N ATOM 987 CA GLY A 62 -11.457 -13.440 3.937 1.00 53.12 C ATOM 988 C GLY A 62 -10.767 -12.237 4.606 1.00 13.12 C ATOM 989 O GLY A 62 -11.092 -11.089 4.277 1.00 65.21 O ATOM 0 H GLY A 62 -10.131 -15.075 3.836 1.00 61.24 H new ATOM 0 HA2 GLY A 62 -11.344 -13.348 2.857 1.00 53.12 H new ATOM 0 HA3 GLY A 62 -12.525 -13.390 4.151 1.00 53.12 H new ATOM 993 N GLU A 63 -9.815 -12.476 5.535 1.00 61.31 N ATOM 994 CA GLU A 63 -9.072 -11.377 6.222 1.00 21.33 C ATOM 995 C GLU A 63 -7.570 -11.377 5.860 1.00 20.50 C ATOM 996 O GLU A 63 -6.996 -12.420 5.493 1.00 52.32 O ATOM 997 CB GLU A 63 -9.262 -11.447 7.768 1.00 10.01 C ATOM 998 CG GLU A 63 -8.605 -12.649 8.478 1.00 53.30 C ATOM 999 CD GLU A 63 -8.866 -12.657 9.995 1.00 22.25 C ATOM 1000 OE1 GLU A 63 -8.236 -11.857 10.720 1.00 53.43 O ATOM 1001 OE2 GLU A 63 -9.726 -13.433 10.466 1.00 3.23 O ATOM 0 H GLU A 63 -9.538 -13.412 5.831 1.00 61.31 H new ATOM 0 HA GLU A 63 -9.496 -10.439 5.865 1.00 21.33 H new ATOM 0 HB2 GLU A 63 -8.864 -10.531 8.205 1.00 10.01 H new ATOM 0 HB3 GLU A 63 -10.331 -11.464 7.982 1.00 10.01 H new ATOM 0 HG2 GLU A 63 -8.984 -13.574 8.043 1.00 53.30 H new ATOM 0 HG3 GLU A 63 -7.530 -12.629 8.298 1.00 53.30 H new ATOM 1008 N ILE A 64 -6.944 -10.185 5.961 1.00 54.33 N ATOM 1009 CA ILE A 64 -5.501 -10.008 5.707 1.00 45.53 C ATOM 1010 C ILE A 64 -4.668 -10.514 6.910 1.00 14.41 C ATOM 1011 O ILE A 64 -4.699 -9.923 7.994 1.00 11.45 O ATOM 1012 CB ILE A 64 -5.137 -8.497 5.401 1.00 75.54 C ATOM 1013 CG1 ILE A 64 -5.917 -7.979 4.147 1.00 41.10 C ATOM 1014 CG2 ILE A 64 -3.605 -8.306 5.222 1.00 40.45 C ATOM 1015 CD1 ILE A 64 -5.619 -6.533 3.752 1.00 65.02 C ATOM 0 H ILE A 64 -7.424 -9.323 6.220 1.00 54.33 H new ATOM 0 HA ILE A 64 -5.256 -10.600 4.825 1.00 45.53 H new ATOM 0 HB ILE A 64 -5.443 -7.902 6.261 1.00 75.54 H new ATOM 0 HG12 ILE A 64 -5.685 -8.626 3.301 1.00 41.10 H new ATOM 0 HG13 ILE A 64 -6.986 -8.075 4.338 1.00 41.10 H new ATOM 0 HG21 ILE A 64 -3.391 -7.258 5.013 1.00 40.45 H new ATOM 0 HG22 ILE A 64 -3.092 -8.606 6.135 1.00 40.45 H new ATOM 0 HG23 ILE A 64 -3.256 -8.920 4.391 1.00 40.45 H new ATOM 0 HD11 ILE A 64 -6.207 -6.267 2.873 1.00 65.02 H new ATOM 0 HD12 ILE A 64 -5.879 -5.870 4.577 1.00 65.02 H new ATOM 0 HD13 ILE A 64 -4.558 -6.429 3.524 1.00 65.02 H new ATOM 1027 N PHE A 65 -3.958 -11.632 6.708 1.00 33.42 N ATOM 1028 CA PHE A 65 -2.916 -12.117 7.635 1.00 72.22 C ATOM 1029 C PHE A 65 -1.533 -11.820 7.018 1.00 12.14 C ATOM 1030 O PHE A 65 -1.358 -11.901 5.799 1.00 24.15 O ATOM 1031 CB PHE A 65 -3.080 -13.642 7.903 1.00 52.22 C ATOM 1032 CG PHE A 65 -2.035 -14.233 8.863 1.00 24.15 C ATOM 1033 CD1 PHE A 65 -2.161 -14.071 10.241 1.00 60.24 C ATOM 1034 CD2 PHE A 65 -0.922 -14.930 8.386 1.00 21.05 C ATOM 1035 CE1 PHE A 65 -1.218 -14.586 11.110 1.00 71.31 C ATOM 1036 CE2 PHE A 65 0.022 -15.442 9.257 1.00 24.50 C ATOM 1037 CZ PHE A 65 -0.126 -15.271 10.617 1.00 73.54 C ATOM 0 H PHE A 65 -4.088 -12.232 5.893 1.00 33.42 H new ATOM 0 HA PHE A 65 -3.011 -11.604 8.592 1.00 72.22 H new ATOM 0 HB2 PHE A 65 -4.074 -13.822 8.312 1.00 52.22 H new ATOM 0 HB3 PHE A 65 -3.025 -14.174 6.953 1.00 52.22 H new ATOM 0 HD1 PHE A 65 -3.010 -13.534 10.637 1.00 60.24 H new ATOM 0 HD2 PHE A 65 -0.797 -15.071 7.323 1.00 21.05 H new ATOM 0 HE1 PHE A 65 -1.336 -14.452 12.175 1.00 71.31 H new ATOM 0 HE2 PHE A 65 0.877 -15.977 8.871 1.00 24.50 H new ATOM 0 HZ PHE A 65 0.612 -15.673 11.296 1.00 73.54 H new ATOM 1047 N VAL A 66 -0.563 -11.443 7.855 1.00 3.45 N ATOM 1048 CA VAL A 66 0.838 -11.261 7.425 1.00 25.12 C ATOM 1049 C VAL A 66 1.800 -11.825 8.498 1.00 4.50 C ATOM 1050 O VAL A 66 1.474 -11.839 9.689 1.00 42.43 O ATOM 1051 CB VAL A 66 1.135 -9.751 7.089 1.00 5.23 C ATOM 1052 CG1 VAL A 66 0.778 -8.821 8.270 1.00 32.22 C ATOM 1053 CG2 VAL A 66 2.599 -9.548 6.621 1.00 5.01 C ATOM 0 H VAL A 66 -0.719 -11.255 8.845 1.00 3.45 H new ATOM 0 HA VAL A 66 1.003 -11.822 6.505 1.00 25.12 H new ATOM 0 HB VAL A 66 0.489 -9.473 6.257 1.00 5.23 H new ATOM 0 HG11 VAL A 66 0.997 -7.788 7.999 1.00 32.22 H new ATOM 0 HG12 VAL A 66 -0.283 -8.918 8.502 1.00 32.22 H new ATOM 0 HG13 VAL A 66 1.367 -9.100 9.144 1.00 32.22 H new ATOM 0 HG21 VAL A 66 2.767 -8.494 6.398 1.00 5.01 H new ATOM 0 HG22 VAL A 66 3.281 -9.865 7.410 1.00 5.01 H new ATOM 0 HG23 VAL A 66 2.780 -10.142 5.725 1.00 5.01 H new ATOM 1063 N LYS A 67 2.977 -12.311 8.065 1.00 2.30 N ATOM 1064 CA LYS A 67 3.961 -12.961 8.953 1.00 21.14 C ATOM 1065 C LYS A 67 5.395 -12.616 8.521 1.00 40.24 C ATOM 1066 O LYS A 67 5.633 -12.318 7.351 1.00 4.43 O ATOM 1067 CB LYS A 67 3.722 -14.498 8.934 1.00 41.50 C ATOM 1068 CG LYS A 67 3.769 -15.147 7.530 1.00 54.34 C ATOM 1069 CD LYS A 67 3.362 -16.649 7.499 1.00 2.20 C ATOM 1070 CE LYS A 67 4.362 -17.599 8.205 1.00 64.22 C ATOM 1071 NZ LYS A 67 4.324 -17.501 9.690 1.00 52.31 N ATOM 0 H LYS A 67 3.274 -12.265 7.090 1.00 2.30 H new ATOM 0 HA LYS A 67 3.833 -12.593 9.971 1.00 21.14 H new ATOM 0 HB2 LYS A 67 4.472 -14.976 9.564 1.00 41.50 H new ATOM 0 HB3 LYS A 67 2.750 -14.706 9.382 1.00 41.50 H new ATOM 0 HG2 LYS A 67 3.109 -14.591 6.864 1.00 54.34 H new ATOM 0 HG3 LYS A 67 4.779 -15.049 7.132 1.00 54.34 H new ATOM 0 HD2 LYS A 67 2.384 -16.757 7.968 1.00 2.20 H new ATOM 0 HD3 LYS A 67 3.254 -16.962 6.461 1.00 2.20 H new ATOM 0 HE2 LYS A 67 4.146 -18.626 7.911 1.00 64.22 H new ATOM 0 HE3 LYS A 67 5.371 -17.374 7.859 1.00 64.22 H new ATOM 0 HZ1 LYS A 67 5.175 -17.008 10.027 1.00 52.31 H new ATOM 0 HZ2 LYS A 67 3.478 -16.970 9.981 1.00 52.31 H new ATOM 0 HZ3 LYS A 67 4.292 -18.456 10.100 1.00 52.31 H new ATOM 1085 N LEU A 68 6.350 -12.647 9.467 1.00 2.02 N ATOM 1086 CA LEU A 68 7.777 -12.431 9.146 1.00 62.11 C ATOM 1087 C LEU A 68 8.359 -13.640 8.382 1.00 35.02 C ATOM 1088 O LEU A 68 8.002 -14.792 8.656 1.00 34.41 O ATOM 1089 CB LEU A 68 8.621 -12.183 10.427 1.00 65.44 C ATOM 1090 CG LEU A 68 8.285 -10.898 11.250 1.00 72.25 C ATOM 1091 CD1 LEU A 68 9.297 -10.684 12.400 1.00 70.03 C ATOM 1092 CD2 LEU A 68 8.204 -9.655 10.344 1.00 42.11 C ATOM 0 H LEU A 68 6.164 -12.818 10.455 1.00 2.02 H new ATOM 0 HA LEU A 68 7.829 -11.543 8.515 1.00 62.11 H new ATOM 0 HB2 LEU A 68 8.507 -13.046 11.082 1.00 65.44 H new ATOM 0 HB3 LEU A 68 9.671 -12.138 10.139 1.00 65.44 H new ATOM 0 HG LEU A 68 7.302 -11.046 11.697 1.00 72.25 H new ATOM 0 HD11 LEU A 68 9.034 -9.782 12.953 1.00 70.03 H new ATOM 0 HD12 LEU A 68 9.271 -11.542 13.072 1.00 70.03 H new ATOM 0 HD13 LEU A 68 10.300 -10.577 11.987 1.00 70.03 H new ATOM 0 HD21 LEU A 68 7.969 -8.779 10.948 1.00 42.11 H new ATOM 0 HD22 LEU A 68 9.162 -9.505 9.845 1.00 42.11 H new ATOM 0 HD23 LEU A 68 7.424 -9.800 9.596 1.00 42.11 H new ATOM 1104 N VAL A 69 9.279 -13.355 7.444 1.00 71.53 N ATOM 1105 CA VAL A 69 10.048 -14.396 6.719 1.00 72.15 C ATOM 1106 C VAL A 69 11.161 -14.989 7.652 1.00 1.12 C ATOM 1107 O VAL A 69 11.780 -16.010 7.345 1.00 34.34 O ATOM 1108 CB VAL A 69 10.672 -13.808 5.383 1.00 52.43 C ATOM 1109 CG1 VAL A 69 11.258 -14.915 4.466 1.00 14.33 C ATOM 1110 CG2 VAL A 69 9.637 -12.962 4.599 1.00 31.21 C ATOM 0 H VAL A 69 9.514 -12.403 7.164 1.00 71.53 H new ATOM 0 HA VAL A 69 9.370 -15.202 6.438 1.00 72.15 H new ATOM 0 HB VAL A 69 11.494 -13.161 5.690 1.00 52.43 H new ATOM 0 HG11 VAL A 69 11.672 -14.460 3.566 1.00 14.33 H new ATOM 0 HG12 VAL A 69 12.045 -15.449 4.998 1.00 14.33 H new ATOM 0 HG13 VAL A 69 10.469 -15.614 4.189 1.00 14.33 H new ATOM 0 HG21 VAL A 69 10.097 -12.575 3.690 1.00 31.21 H new ATOM 0 HG22 VAL A 69 8.782 -13.585 4.336 1.00 31.21 H new ATOM 0 HG23 VAL A 69 9.302 -12.130 5.219 1.00 31.21 H new ATOM 1120 N LEU A 70 11.363 -14.343 8.823 1.00 60.14 N ATOM 1121 CA LEU A 70 12.359 -14.750 9.845 1.00 15.55 C ATOM 1122 C LEU A 70 11.748 -15.714 10.911 1.00 3.33 C ATOM 1123 O LEU A 70 12.132 -15.681 12.087 1.00 62.31 O ATOM 1124 CB LEU A 70 12.921 -13.464 10.522 1.00 65.22 C ATOM 1125 CG LEU A 70 13.541 -12.397 9.559 1.00 43.25 C ATOM 1126 CD1 LEU A 70 14.018 -11.148 10.333 1.00 41.21 C ATOM 1127 CD2 LEU A 70 14.684 -13.001 8.710 1.00 53.54 C ATOM 0 H LEU A 70 10.833 -13.513 9.090 1.00 60.14 H new ATOM 0 HA LEU A 70 13.161 -15.302 9.355 1.00 15.55 H new ATOM 0 HB2 LEU A 70 12.116 -12.992 11.085 1.00 65.22 H new ATOM 0 HB3 LEU A 70 13.683 -13.760 11.243 1.00 65.22 H new ATOM 0 HG LEU A 70 12.755 -12.079 8.875 1.00 43.25 H new ATOM 0 HD11 LEU A 70 14.443 -10.427 9.634 1.00 41.21 H new ATOM 0 HD12 LEU A 70 13.172 -10.696 10.851 1.00 41.21 H new ATOM 0 HD13 LEU A 70 14.776 -11.438 11.061 1.00 41.21 H new ATOM 0 HD21 LEU A 70 15.093 -12.234 8.052 1.00 53.54 H new ATOM 0 HD22 LEU A 70 15.470 -13.371 9.368 1.00 53.54 H new ATOM 0 HD23 LEU A 70 14.296 -13.824 8.110 1.00 53.54 H new ATOM 1139 N GLU A 71 10.804 -16.585 10.491 1.00 44.23 N ATOM 1140 CA GLU A 71 10.159 -17.573 11.391 1.00 61.51 C ATOM 1141 C GLU A 71 11.053 -18.836 11.560 1.00 42.45 C ATOM 1142 O GLU A 71 11.142 -19.677 10.659 1.00 22.23 O ATOM 1143 CB GLU A 71 8.749 -17.945 10.850 1.00 0.32 C ATOM 1144 CG GLU A 71 7.997 -18.997 11.692 1.00 62.35 C ATOM 1145 CD GLU A 71 6.584 -19.317 11.173 1.00 75.12 C ATOM 1146 OE1 GLU A 71 6.451 -19.791 10.026 1.00 4.25 O ATOM 1147 OE2 GLU A 71 5.590 -19.085 11.900 1.00 11.31 O ATOM 0 H GLU A 71 10.469 -16.625 9.529 1.00 44.23 H new ATOM 0 HA GLU A 71 10.040 -17.124 12.377 1.00 61.51 H new ATOM 0 HB2 GLU A 71 8.144 -17.040 10.797 1.00 0.32 H new ATOM 0 HB3 GLU A 71 8.852 -18.319 9.831 1.00 0.32 H new ATOM 0 HG2 GLU A 71 8.582 -19.916 11.714 1.00 62.35 H new ATOM 0 HG3 GLU A 71 7.924 -18.641 12.720 1.00 62.35 H new ATOM 1154 N HIS A 72 11.719 -18.950 12.729 1.00 40.31 N ATOM 1155 CA HIS A 72 12.702 -20.027 13.011 1.00 0.23 C ATOM 1156 C HIS A 72 12.032 -21.300 13.604 1.00 31.53 C ATOM 1157 O HIS A 72 12.234 -21.625 14.783 1.00 35.54 O ATOM 1158 CB HIS A 72 13.810 -19.500 13.972 1.00 54.44 C ATOM 1159 CG HIS A 72 14.567 -18.291 13.467 1.00 52.34 C ATOM 1160 ND1 HIS A 72 14.215 -16.995 13.778 1.00 74.51 N ATOM 1161 CD2 HIS A 72 15.674 -18.189 12.691 1.00 35.15 C ATOM 1162 CE1 HIS A 72 15.063 -16.158 13.221 1.00 34.00 C ATOM 1163 NE2 HIS A 72 15.962 -16.851 12.560 1.00 33.24 N ATOM 0 H HIS A 72 11.593 -18.301 13.505 1.00 40.31 H new ATOM 0 HA HIS A 72 13.151 -20.315 12.061 1.00 0.23 H new ATOM 0 HB2 HIS A 72 13.352 -19.250 14.929 1.00 54.44 H new ATOM 0 HB3 HIS A 72 14.521 -20.304 14.159 1.00 54.44 H new ATOM 0 HD2 HIS A 72 16.228 -19.008 12.256 1.00 35.15 H new ATOM 0 HE1 HIS A 72 15.026 -15.081 13.295 1.00 34.00 H new ATOM 0 HE2 HIS A 72 16.745 -16.461 12.036 1.00 33.24 H new ATOM 1172 N HIS A 73 11.217 -21.994 12.785 1.00 34.00 N ATOM 1173 CA HIS A 73 10.678 -23.343 13.119 1.00 23.31 C ATOM 1174 C HIS A 73 9.987 -23.991 11.901 1.00 25.54 C ATOM 1175 O HIS A 73 9.541 -23.292 10.986 1.00 30.15 O ATOM 1176 CB HIS A 73 9.723 -23.324 14.348 1.00 53.23 C ATOM 1177 CG HIS A 73 8.541 -22.392 14.255 1.00 35.43 C ATOM 1178 ND1 HIS A 73 8.473 -21.206 14.948 1.00 61.21 N ATOM 1179 CD2 HIS A 73 7.363 -22.493 13.587 1.00 33.40 C ATOM 1180 CE1 HIS A 73 7.313 -20.634 14.731 1.00 5.23 C ATOM 1181 NE2 HIS A 73 6.621 -21.383 13.904 1.00 35.04 N ATOM 0 H HIS A 73 10.911 -21.645 11.877 1.00 34.00 H new ATOM 0 HA HIS A 73 11.538 -23.954 13.394 1.00 23.31 H new ATOM 0 HB2 HIS A 73 9.350 -24.336 14.509 1.00 53.23 H new ATOM 0 HB3 HIS A 73 10.304 -23.054 15.230 1.00 53.23 H new ATOM 0 HD2 HIS A 73 7.066 -23.296 12.929 1.00 33.40 H new ATOM 0 HE1 HIS A 73 6.982 -19.701 15.162 1.00 5.23 H new ATOM 0 HE2 HIS A 73 5.686 -21.174 13.555 1.00 35.04 H new ATOM 1190 N HIS A 74 9.905 -25.336 11.916 1.00 33.23 N ATOM 1191 CA HIS A 74 9.232 -26.116 10.851 1.00 14.04 C ATOM 1192 C HIS A 74 7.683 -25.940 10.903 1.00 42.22 C ATOM 1193 O HIS A 74 6.974 -26.650 11.617 1.00 73.30 O ATOM 1194 CB HIS A 74 9.663 -27.618 10.905 1.00 73.24 C ATOM 1195 CG HIS A 74 9.624 -28.279 12.272 1.00 35.30 C ATOM 1196 ND1 HIS A 74 8.464 -28.510 12.984 1.00 55.10 N ATOM 1197 CD2 HIS A 74 10.625 -28.756 13.057 1.00 20.04 C ATOM 1198 CE1 HIS A 74 8.749 -29.088 14.130 1.00 61.44 C ATOM 1199 NE2 HIS A 74 10.046 -29.249 14.200 1.00 12.02 N ATOM 0 H HIS A 74 10.299 -25.912 12.660 1.00 33.23 H new ATOM 0 HA HIS A 74 9.555 -25.722 9.887 1.00 14.04 H new ATOM 0 HB2 HIS A 74 9.018 -28.184 10.233 1.00 73.24 H new ATOM 0 HB3 HIS A 74 10.678 -27.697 10.515 1.00 73.24 H new ATOM 0 HD1 HIS A 74 7.525 -28.268 12.668 1.00 55.10 H new ATOM 0 HD2 HIS A 74 11.680 -28.749 12.825 1.00 20.04 H new ATOM 0 HE1 HIS A 74 8.034 -29.380 14.885 1.00 61.44 H new ATOM 1208 N HIS A 75 7.176 -24.951 10.151 1.00 32.21 N ATOM 1209 CA HIS A 75 5.737 -24.600 10.115 1.00 4.14 C ATOM 1210 C HIS A 75 5.086 -25.016 8.770 1.00 2.13 C ATOM 1211 O HIS A 75 5.407 -24.454 7.719 1.00 32.21 O ATOM 1212 CB HIS A 75 5.584 -23.072 10.359 1.00 74.11 C ATOM 1213 CG HIS A 75 4.193 -22.519 10.154 1.00 21.11 C ATOM 1214 ND1 HIS A 75 3.114 -22.887 10.925 1.00 75.32 N ATOM 1215 CD2 HIS A 75 3.709 -21.645 9.235 1.00 22.33 C ATOM 1216 CE1 HIS A 75 2.035 -22.273 10.491 1.00 71.31 C ATOM 1217 NE2 HIS A 75 2.366 -21.516 9.471 1.00 43.24 N ATOM 0 H HIS A 75 7.751 -24.366 9.545 1.00 32.21 H new ATOM 0 HA HIS A 75 5.217 -25.148 10.901 1.00 4.14 H new ATOM 0 HB2 HIS A 75 5.898 -22.851 11.379 1.00 74.11 H new ATOM 0 HB3 HIS A 75 6.268 -22.545 9.694 1.00 74.11 H new ATOM 0 HD2 HIS A 75 4.276 -21.146 8.463 1.00 22.33 H new ATOM 0 HE1 HIS A 75 1.043 -22.375 10.905 1.00 71.31 H new ATOM 0 HE2 HIS A 75 1.726 -20.926 8.939 1.00 43.24 H new ATOM 1226 N HIS A 76 4.177 -26.013 8.814 1.00 51.21 N ATOM 1227 CA HIS A 76 3.296 -26.357 7.671 1.00 51.00 C ATOM 1228 C HIS A 76 1.817 -26.169 8.073 1.00 72.53 C ATOM 1229 O HIS A 76 1.442 -26.412 9.227 1.00 22.44 O ATOM 1230 CB HIS A 76 3.565 -27.801 7.139 1.00 53.43 C ATOM 1231 CG HIS A 76 3.354 -28.933 8.125 1.00 34.04 C ATOM 1232 ND1 HIS A 76 4.389 -29.668 8.661 1.00 14.31 N ATOM 1233 CD2 HIS A 76 2.221 -29.483 8.636 1.00 20.43 C ATOM 1234 CE1 HIS A 76 3.908 -30.608 9.448 1.00 60.30 C ATOM 1235 NE2 HIS A 76 2.597 -30.517 9.456 1.00 32.53 N ATOM 0 H HIS A 76 4.031 -26.600 9.635 1.00 51.21 H new ATOM 0 HA HIS A 76 3.524 -25.678 6.850 1.00 51.00 H new ATOM 0 HB2 HIS A 76 2.920 -27.973 6.278 1.00 53.43 H new ATOM 0 HB3 HIS A 76 4.593 -27.847 6.781 1.00 53.43 H new ATOM 0 HD2 HIS A 76 1.209 -29.164 8.434 1.00 20.43 H new ATOM 0 HE1 HIS A 76 4.493 -31.332 9.995 1.00 60.30 H new ATOM 0 HE2 HIS A 76 1.963 -31.116 9.985 1.00 32.53 H new ATOM 1244 N HIS A 77 0.996 -25.724 7.113 1.00 74.34 N ATOM 1245 CA HIS A 77 -0.452 -25.521 7.315 1.00 61.21 C ATOM 1246 C HIS A 77 -1.192 -25.584 5.967 1.00 4.54 C ATOM 1247 O HIS A 77 -0.755 -25.012 4.958 1.00 4.01 O ATOM 1248 CB HIS A 77 -0.724 -24.169 8.033 1.00 41.23 C ATOM 1249 CG HIS A 77 -2.169 -23.962 8.408 1.00 12.33 C ATOM 1250 ND1 HIS A 77 -3.057 -23.263 7.618 1.00 10.13 N ATOM 1251 CD2 HIS A 77 -2.882 -24.388 9.480 1.00 42.44 C ATOM 1252 CE1 HIS A 77 -4.246 -23.268 8.187 1.00 2.12 C ATOM 1253 NE2 HIS A 77 -4.168 -23.941 9.312 1.00 32.02 N ATOM 0 H HIS A 77 1.314 -25.493 6.172 1.00 74.34 H new ATOM 0 HA HIS A 77 -0.828 -26.321 7.953 1.00 61.21 H new ATOM 0 HB2 HIS A 77 -0.113 -24.117 8.934 1.00 41.23 H new ATOM 0 HB3 HIS A 77 -0.406 -23.353 7.384 1.00 41.23 H new ATOM 0 HD2 HIS A 77 -2.508 -24.970 10.310 1.00 42.44 H new ATOM 0 HE1 HIS A 77 -5.135 -22.798 7.794 1.00 2.12 H new ATOM 0 HE2 HIS A 77 -4.940 -24.105 9.958 1.00 32.02 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 2.858 -20.239 -3.723 1.00 52.53 N ATOM 1264 CA MET B 1 1.428 -19.984 -3.938 1.00 63.23 C ATOM 1265 C MET B 1 1.180 -18.557 -4.505 1.00 14.32 C ATOM 1266 O MET B 1 2.127 -17.847 -4.867 1.00 33.32 O ATOM 1267 CB MET B 1 0.652 -20.197 -2.607 1.00 2.34 C ATOM 1268 CG MET B 1 1.046 -19.238 -1.468 1.00 43.32 C ATOM 1269 SD MET B 1 0.041 -19.478 0.018 1.00 64.21 S ATOM 1270 CE MET B 1 0.715 -18.235 1.128 1.00 24.05 C ATOM 0 H1 MET B 1 3.004 -20.610 -2.762 1.00 52.53 H new ATOM 0 H2 MET B 1 3.195 -20.936 -4.418 1.00 52.53 H new ATOM 0 H3 MET B 1 3.390 -19.352 -3.836 1.00 52.53 H new ATOM 0 HA MET B 1 1.060 -20.691 -4.681 1.00 63.23 H new ATOM 0 HB2 MET B 1 -0.415 -20.087 -2.803 1.00 2.34 H new ATOM 0 HB3 MET B 1 0.810 -21.222 -2.271 1.00 2.34 H new ATOM 0 HG2 MET B 1 2.097 -19.386 -1.220 1.00 43.32 H new ATOM 0 HG3 MET B 1 0.941 -18.209 -1.811 1.00 43.32 H new ATOM 0 HE1 MET B 1 0.187 -18.273 2.081 1.00 24.05 H new ATOM 0 HE2 MET B 1 1.775 -18.430 1.293 1.00 24.05 H new ATOM 0 HE3 MET B 1 0.593 -17.247 0.685 1.00 24.05 H new ATOM 1280 N LYS B 2 -0.113 -18.168 -4.607 1.00 23.34 N ATOM 1281 CA LYS B 2 -0.529 -16.797 -4.995 1.00 44.34 C ATOM 1282 C LYS B 2 -0.048 -15.731 -3.956 1.00 0.33 C ATOM 1283 O LYS B 2 -0.711 -15.459 -2.946 1.00 4.51 O ATOM 1284 CB LYS B 2 -2.081 -16.739 -5.215 1.00 21.31 C ATOM 1285 CG LYS B 2 -2.936 -17.271 -4.037 1.00 23.04 C ATOM 1286 CD LYS B 2 -4.475 -17.207 -4.272 1.00 21.11 C ATOM 1287 CE LYS B 2 -5.072 -15.777 -4.247 1.00 11.04 C ATOM 1288 NZ LYS B 2 -4.755 -14.980 -5.463 1.00 70.02 N ATOM 0 H LYS B 2 -0.897 -18.794 -4.423 1.00 23.34 H new ATOM 0 HA LYS B 2 -0.046 -16.550 -5.940 1.00 44.34 H new ATOM 0 HB2 LYS B 2 -2.365 -15.705 -5.411 1.00 21.31 H new ATOM 0 HB3 LYS B 2 -2.327 -17.312 -6.109 1.00 21.31 H new ATOM 0 HG2 LYS B 2 -2.655 -18.305 -3.839 1.00 23.04 H new ATOM 0 HG3 LYS B 2 -2.694 -16.698 -3.142 1.00 23.04 H new ATOM 0 HD2 LYS B 2 -4.702 -17.664 -5.235 1.00 21.11 H new ATOM 0 HD3 LYS B 2 -4.971 -17.807 -3.509 1.00 21.11 H new ATOM 0 HE2 LYS B 2 -6.154 -15.846 -4.139 1.00 11.04 H new ATOM 0 HE3 LYS B 2 -4.697 -15.251 -3.369 1.00 11.04 H new ATOM 0 HZ1 LYS B 2 -5.590 -14.427 -5.743 1.00 70.02 H new ATOM 0 HZ2 LYS B 2 -3.965 -14.335 -5.259 1.00 70.02 H new ATOM 0 HZ3 LYS B 2 -4.488 -15.620 -6.238 1.00 70.02 H new ATOM 1302 N MET B 3 1.152 -15.167 -4.196 1.00 21.11 N ATOM 1303 CA MET B 3 1.718 -14.096 -3.354 1.00 2.34 C ATOM 1304 C MET B 3 1.085 -12.736 -3.733 1.00 14.34 C ATOM 1305 O MET B 3 1.232 -12.266 -4.868 1.00 35.25 O ATOM 1306 CB MET B 3 3.263 -14.037 -3.497 1.00 5.41 C ATOM 1307 CG MET B 3 3.999 -15.312 -3.054 1.00 11.13 C ATOM 1308 SD MET B 3 5.798 -15.152 -3.164 1.00 13.40 S ATOM 1309 CE MET B 3 6.141 -13.859 -1.961 1.00 51.20 C ATOM 0 H MET B 3 1.753 -15.439 -4.974 1.00 21.11 H new ATOM 0 HA MET B 3 1.486 -14.315 -2.312 1.00 2.34 H new ATOM 0 HB2 MET B 3 3.510 -13.835 -4.539 1.00 5.41 H new ATOM 0 HB3 MET B 3 3.636 -13.197 -2.912 1.00 5.41 H new ATOM 0 HG2 MET B 3 3.721 -15.549 -2.027 1.00 11.13 H new ATOM 0 HG3 MET B 3 3.674 -16.148 -3.673 1.00 11.13 H new ATOM 0 HE1 MET B 3 7.201 -13.870 -1.707 1.00 51.20 H new ATOM 0 HE2 MET B 3 5.879 -12.889 -2.385 1.00 51.20 H new ATOM 0 HE3 MET B 3 5.551 -14.033 -1.061 1.00 51.20 H new ATOM 1319 N LEU B 4 0.381 -12.117 -2.769 1.00 30.33 N ATOM 1320 CA LEU B 4 -0.285 -10.800 -2.955 1.00 60.24 C ATOM 1321 C LEU B 4 0.734 -9.650 -3.244 1.00 45.33 C ATOM 1322 O LEU B 4 0.346 -8.558 -3.677 1.00 10.11 O ATOM 1323 CB LEU B 4 -1.187 -10.464 -1.728 1.00 11.04 C ATOM 1324 CG LEU B 4 -2.439 -11.385 -1.481 1.00 21.34 C ATOM 1325 CD1 LEU B 4 -3.270 -11.557 -2.766 1.00 63.34 C ATOM 1326 CD2 LEU B 4 -2.060 -12.752 -0.857 1.00 73.12 C ATOM 0 H LEU B 4 0.253 -12.509 -1.836 1.00 30.33 H new ATOM 0 HA LEU B 4 -0.918 -10.880 -3.839 1.00 60.24 H new ATOM 0 HB2 LEU B 4 -0.565 -10.493 -0.834 1.00 11.04 H new ATOM 0 HB3 LEU B 4 -1.539 -9.438 -1.838 1.00 11.04 H new ATOM 0 HG LEU B 4 -3.063 -10.876 -0.747 1.00 21.34 H new ATOM 0 HD11 LEU B 4 -4.127 -12.198 -2.562 1.00 63.34 H new ATOM 0 HD12 LEU B 4 -3.619 -10.582 -3.107 1.00 63.34 H new ATOM 0 HD13 LEU B 4 -2.653 -12.012 -3.540 1.00 63.34 H new ATOM 0 HD21 LEU B 4 -2.961 -13.347 -0.708 1.00 73.12 H new ATOM 0 HD22 LEU B 4 -1.382 -13.282 -1.526 1.00 73.12 H new ATOM 0 HD23 LEU B 4 -1.570 -12.590 0.103 1.00 73.12 H new ATOM 1338 N LYS B 5 2.032 -9.926 -3.002 1.00 21.31 N ATOM 1339 CA LYS B 5 3.156 -9.030 -3.365 1.00 53.34 C ATOM 1340 C LYS B 5 3.291 -8.911 -4.908 1.00 11.44 C ATOM 1341 O LYS B 5 3.563 -7.833 -5.440 1.00 64.44 O ATOM 1342 CB LYS B 5 4.468 -9.583 -2.727 1.00 42.41 C ATOM 1343 CG LYS B 5 5.718 -8.650 -2.811 1.00 51.12 C ATOM 1344 CD LYS B 5 6.635 -8.935 -4.026 1.00 51.53 C ATOM 1345 CE LYS B 5 7.408 -10.252 -3.897 1.00 64.52 C ATOM 1346 NZ LYS B 5 8.352 -10.227 -2.745 1.00 22.31 N ATOM 0 H LYS B 5 2.335 -10.786 -2.544 1.00 21.31 H new ATOM 0 HA LYS B 5 2.963 -8.029 -2.980 1.00 53.34 H new ATOM 0 HB2 LYS B 5 4.273 -9.802 -1.677 1.00 42.41 H new ATOM 0 HB3 LYS B 5 4.713 -10.529 -3.210 1.00 42.41 H new ATOM 0 HG2 LYS B 5 5.383 -7.614 -2.857 1.00 51.12 H new ATOM 0 HG3 LYS B 5 6.301 -8.757 -1.896 1.00 51.12 H new ATOM 0 HD2 LYS B 5 6.030 -8.963 -4.932 1.00 51.53 H new ATOM 0 HD3 LYS B 5 7.343 -8.114 -4.140 1.00 51.53 H new ATOM 0 HE2 LYS B 5 6.705 -11.076 -3.773 1.00 64.52 H new ATOM 0 HE3 LYS B 5 7.962 -10.441 -4.817 1.00 64.52 H new ATOM 0 HZ1 LYS B 5 9.127 -10.899 -2.917 1.00 22.31 H new ATOM 0 HZ2 LYS B 5 8.742 -9.269 -2.636 1.00 22.31 H new ATOM 0 HZ3 LYS B 5 7.847 -10.496 -1.876 1.00 22.31 H new ATOM 1360 N GLU B 6 3.109 -10.048 -5.612 1.00 1.14 N ATOM 1361 CA GLU B 6 3.153 -10.089 -7.093 1.00 23.21 C ATOM 1362 C GLU B 6 1.915 -9.357 -7.680 1.00 23.33 C ATOM 1363 O GLU B 6 2.020 -8.616 -8.663 1.00 63.31 O ATOM 1364 CB GLU B 6 3.221 -11.575 -7.576 1.00 33.24 C ATOM 1365 CG GLU B 6 3.616 -11.814 -9.065 1.00 62.13 C ATOM 1366 CD GLU B 6 2.541 -11.425 -10.107 1.00 13.04 C ATOM 1367 OE1 GLU B 6 1.450 -12.035 -10.096 1.00 31.13 O ATOM 1368 OE2 GLU B 6 2.784 -10.518 -10.940 1.00 22.44 O ATOM 0 H GLU B 6 2.929 -10.954 -5.179 1.00 1.14 H new ATOM 0 HA GLU B 6 4.046 -9.575 -7.449 1.00 23.21 H new ATOM 0 HB2 GLU B 6 3.936 -12.104 -6.946 1.00 33.24 H new ATOM 0 HB3 GLU B 6 2.246 -12.032 -7.406 1.00 33.24 H new ATOM 0 HG2 GLU B 6 4.524 -11.250 -9.277 1.00 62.13 H new ATOM 0 HG3 GLU B 6 3.858 -12.869 -9.194 1.00 62.13 H new ATOM 1375 N LYS B 7 0.746 -9.586 -7.042 1.00 5.31 N ATOM 1376 CA LYS B 7 -0.540 -8.946 -7.423 1.00 10.43 C ATOM 1377 C LYS B 7 -0.456 -7.397 -7.300 1.00 1.42 C ATOM 1378 O LYS B 7 -1.052 -6.667 -8.099 1.00 24.22 O ATOM 1379 CB LYS B 7 -1.695 -9.567 -6.561 1.00 44.33 C ATOM 1380 CG LYS B 7 -3.151 -9.224 -7.005 1.00 72.52 C ATOM 1381 CD LYS B 7 -3.715 -7.923 -6.374 1.00 54.23 C ATOM 1382 CE LYS B 7 -5.123 -7.567 -6.895 1.00 21.35 C ATOM 1383 NZ LYS B 7 -6.128 -8.627 -6.617 1.00 71.23 N ATOM 0 H LYS B 7 0.664 -10.220 -6.247 1.00 5.31 H new ATOM 0 HA LYS B 7 -0.757 -9.146 -8.472 1.00 10.43 H new ATOM 0 HB2 LYS B 7 -1.582 -10.651 -6.568 1.00 44.33 H new ATOM 0 HB3 LYS B 7 -1.566 -9.239 -5.529 1.00 44.33 H new ATOM 0 HG2 LYS B 7 -3.176 -9.129 -8.091 1.00 72.52 H new ATOM 0 HG3 LYS B 7 -3.805 -10.056 -6.743 1.00 72.52 H new ATOM 0 HD2 LYS B 7 -3.752 -8.036 -5.291 1.00 54.23 H new ATOM 0 HD3 LYS B 7 -3.035 -7.098 -6.585 1.00 54.23 H new ATOM 0 HE2 LYS B 7 -5.450 -6.634 -6.436 1.00 21.35 H new ATOM 0 HE3 LYS B 7 -5.074 -7.393 -7.970 1.00 21.35 H new ATOM 0 HZ1 LYS B 7 -7.067 -8.305 -6.928 1.00 71.23 H new ATOM 0 HZ2 LYS B 7 -5.871 -9.493 -7.132 1.00 71.23 H new ATOM 0 HZ3 LYS B 7 -6.150 -8.825 -5.596 1.00 71.23 H new ATOM 1397 N ALA B 8 0.315 -6.922 -6.300 1.00 61.13 N ATOM 1398 CA ALA B 8 0.665 -5.486 -6.140 1.00 72.13 C ATOM 1399 C ALA B 8 1.389 -4.930 -7.398 1.00 34.31 C ATOM 1400 O ALA B 8 1.069 -3.838 -7.878 1.00 4.32 O ATOM 1401 CB ALA B 8 1.542 -5.296 -4.895 1.00 25.01 C ATOM 0 H ALA B 8 0.715 -7.520 -5.577 1.00 61.13 H new ATOM 0 HA ALA B 8 -0.262 -4.926 -6.018 1.00 72.13 H new ATOM 0 HB1 ALA B 8 1.794 -4.241 -4.785 1.00 25.01 H new ATOM 0 HB2 ALA B 8 0.999 -5.633 -4.012 1.00 25.01 H new ATOM 0 HB3 ALA B 8 2.457 -5.878 -5.002 1.00 25.01 H new ATOM 1407 N GLY B 9 2.356 -5.718 -7.920 1.00 14.40 N ATOM 1408 CA GLY B 9 3.089 -5.376 -9.152 1.00 42.33 C ATOM 1409 C GLY B 9 2.232 -5.421 -10.426 1.00 11.22 C ATOM 1410 O GLY B 9 2.465 -4.652 -11.369 1.00 32.22 O ATOM 0 H GLY B 9 2.646 -6.601 -7.500 1.00 14.40 H new ATOM 0 HA2 GLY B 9 3.510 -4.376 -9.046 1.00 42.33 H new ATOM 0 HA3 GLY B 9 3.927 -6.064 -9.266 1.00 42.33 H new ATOM 1414 N ALA B 10 1.245 -6.333 -10.450 1.00 23.44 N ATOM 1415 CA ALA B 10 0.280 -6.459 -11.566 1.00 40.41 C ATOM 1416 C ALA B 10 -0.648 -5.219 -11.667 1.00 1.35 C ATOM 1417 O ALA B 10 -0.959 -4.739 -12.767 1.00 5.54 O ATOM 1418 CB ALA B 10 -0.545 -7.735 -11.382 1.00 11.23 C ATOM 0 H ALA B 10 1.090 -7.005 -9.699 1.00 23.44 H new ATOM 0 HA ALA B 10 0.840 -6.517 -12.499 1.00 40.41 H new ATOM 0 HB1 ALA B 10 -1.256 -7.830 -12.203 1.00 11.23 H new ATOM 0 HB2 ALA B 10 0.119 -8.600 -11.375 1.00 11.23 H new ATOM 0 HB3 ALA B 10 -1.086 -7.685 -10.437 1.00 11.23 H new ATOM 1424 N LEU B 11 -1.089 -4.716 -10.495 1.00 3.41 N ATOM 1425 CA LEU B 11 -1.845 -3.447 -10.384 1.00 50.31 C ATOM 1426 C LEU B 11 -0.963 -2.246 -10.786 1.00 71.52 C ATOM 1427 O LEU B 11 -1.413 -1.343 -11.486 1.00 71.31 O ATOM 1428 CB LEU B 11 -2.353 -3.265 -8.932 1.00 61.12 C ATOM 1429 CG LEU B 11 -3.391 -4.317 -8.436 1.00 5.31 C ATOM 1430 CD1 LEU B 11 -3.599 -4.209 -6.916 1.00 43.04 C ATOM 1431 CD2 LEU B 11 -4.732 -4.179 -9.196 1.00 51.21 C ATOM 0 H LEU B 11 -0.932 -5.176 -9.599 1.00 3.41 H new ATOM 0 HA LEU B 11 -2.696 -3.491 -11.064 1.00 50.31 H new ATOM 0 HB2 LEU B 11 -1.494 -3.287 -8.262 1.00 61.12 H new ATOM 0 HB3 LEU B 11 -2.799 -2.274 -8.845 1.00 61.12 H new ATOM 0 HG LEU B 11 -2.992 -5.309 -8.649 1.00 5.31 H new ATOM 0 HD11 LEU B 11 -4.328 -4.953 -6.595 1.00 43.04 H new ATOM 0 HD12 LEU B 11 -2.652 -4.384 -6.406 1.00 43.04 H new ATOM 0 HD13 LEU B 11 -3.965 -3.213 -6.669 1.00 43.04 H new ATOM 0 HD21 LEU B 11 -5.437 -4.925 -8.829 1.00 51.21 H new ATOM 0 HD22 LEU B 11 -5.142 -3.182 -9.033 1.00 51.21 H new ATOM 0 HD23 LEU B 11 -4.564 -4.332 -10.262 1.00 51.21 H new ATOM 1443 N ALA B 12 0.308 -2.284 -10.356 1.00 32.10 N ATOM 1444 CA ALA B 12 1.286 -1.199 -10.587 1.00 74.44 C ATOM 1445 C ALA B 12 1.525 -0.906 -12.082 1.00 1.34 C ATOM 1446 O ALA B 12 1.684 0.254 -12.466 1.00 73.41 O ATOM 1447 CB ALA B 12 2.611 -1.542 -9.916 1.00 23.22 C ATOM 0 H ALA B 12 0.692 -3.072 -9.834 1.00 32.10 H new ATOM 0 HA ALA B 12 0.860 -0.296 -10.149 1.00 74.44 H new ATOM 0 HB1 ALA B 12 3.326 -0.738 -10.091 1.00 23.22 H new ATOM 0 HB2 ALA B 12 2.455 -1.663 -8.844 1.00 23.22 H new ATOM 0 HB3 ALA B 12 3.000 -2.471 -10.333 1.00 23.22 H new ATOM 1453 N GLY B 13 1.557 -1.977 -12.903 1.00 62.13 N ATOM 1454 CA GLY B 13 1.750 -1.849 -14.354 1.00 0.12 C ATOM 1455 C GLY B 13 0.668 -1.000 -15.038 1.00 15.52 C ATOM 1456 O GLY B 13 0.978 -0.004 -15.697 1.00 20.11 O ATOM 0 H GLY B 13 1.451 -2.939 -12.580 1.00 62.13 H new ATOM 0 HA2 GLY B 13 2.726 -1.404 -14.546 1.00 0.12 H new ATOM 0 HA3 GLY B 13 1.759 -2.843 -14.801 1.00 0.12 H new ATOM 1460 N GLN B 14 -0.606 -1.368 -14.811 1.00 72.43 N ATOM 1461 CA GLN B 14 -1.772 -0.671 -15.409 1.00 42.41 C ATOM 1462 C GLN B 14 -1.997 0.743 -14.796 1.00 75.44 C ATOM 1463 O GLN B 14 -2.484 1.648 -15.485 1.00 32.42 O ATOM 1464 CB GLN B 14 -3.046 -1.551 -15.282 1.00 22.21 C ATOM 1465 CG GLN B 14 -3.450 -1.915 -13.840 1.00 62.31 C ATOM 1466 CD GLN B 14 -4.646 -2.870 -13.754 1.00 62.22 C ATOM 1467 OE1 GLN B 14 -5.519 -2.874 -14.616 1.00 63.12 O ATOM 1468 NE2 GLN B 14 -4.698 -3.685 -12.716 1.00 11.43 N ATOM 0 H GLN B 14 -0.861 -2.153 -14.211 1.00 72.43 H new ATOM 0 HA GLN B 14 -1.557 -0.517 -16.466 1.00 42.41 H new ATOM 0 HB2 GLN B 14 -3.878 -1.029 -15.755 1.00 22.21 H new ATOM 0 HB3 GLN B 14 -2.889 -2.473 -15.842 1.00 22.21 H new ATOM 0 HG2 GLN B 14 -2.597 -2.371 -13.338 1.00 62.31 H new ATOM 0 HG3 GLN B 14 -3.688 -1.000 -13.298 1.00 62.31 H new ATOM 0 HE21 GLN B 14 -3.960 -3.663 -12.013 1.00 11.43 H new ATOM 0 HE22 GLN B 14 -5.476 -4.337 -12.618 1.00 11.43 H new ATOM 1477 N ILE B 15 -1.640 0.920 -13.504 1.00 73.53 N ATOM 1478 CA ILE B 15 -1.722 2.234 -12.816 1.00 31.41 C ATOM 1479 C ILE B 15 -0.700 3.231 -13.411 1.00 72.22 C ATOM 1480 O ILE B 15 -1.049 4.370 -13.731 1.00 22.20 O ATOM 1481 CB ILE B 15 -1.544 2.082 -11.252 1.00 15.01 C ATOM 1482 CG1 ILE B 15 -2.789 1.353 -10.639 1.00 5.03 C ATOM 1483 CG2 ILE B 15 -1.304 3.446 -10.551 1.00 42.11 C ATOM 1484 CD1 ILE B 15 -2.720 1.099 -9.141 1.00 1.11 C ATOM 0 H ILE B 15 -1.290 0.167 -12.912 1.00 73.53 H new ATOM 0 HA ILE B 15 -2.720 2.639 -12.986 1.00 31.41 H new ATOM 0 HB ILE B 15 -0.653 1.478 -11.079 1.00 15.01 H new ATOM 0 HG12 ILE B 15 -3.678 1.948 -10.850 1.00 5.03 H new ATOM 0 HG13 ILE B 15 -2.917 0.397 -11.148 1.00 5.03 H new ATOM 0 HG21 ILE B 15 -1.188 3.289 -9.479 1.00 42.11 H new ATOM 0 HG22 ILE B 15 -0.400 3.906 -10.950 1.00 42.11 H new ATOM 0 HG23 ILE B 15 -2.155 4.102 -10.731 1.00 42.11 H new ATOM 0 HD11 ILE B 15 -3.628 0.591 -8.816 1.00 1.11 H new ATOM 0 HD12 ILE B 15 -1.855 0.475 -8.917 1.00 1.11 H new ATOM 0 HD13 ILE B 15 -2.628 2.049 -8.615 1.00 1.11 H new ATOM 1496 N TRP B 16 0.543 2.758 -13.599 1.00 35.12 N ATOM 1497 CA TRP B 16 1.649 3.554 -14.186 1.00 14.32 C ATOM 1498 C TRP B 16 1.272 4.098 -15.598 1.00 4.25 C ATOM 1499 O TRP B 16 1.568 5.253 -15.933 1.00 24.02 O ATOM 1500 CB TRP B 16 2.936 2.676 -14.249 1.00 54.02 C ATOM 1501 CG TRP B 16 4.173 3.418 -14.702 1.00 42.50 C ATOM 1502 CD1 TRP B 16 5.068 4.082 -13.911 1.00 2.31 C ATOM 1503 CD2 TRP B 16 4.643 3.574 -16.052 1.00 24.32 C ATOM 1504 NE1 TRP B 16 6.051 4.651 -14.685 1.00 15.41 N ATOM 1505 CE2 TRP B 16 5.812 4.352 -16.001 1.00 1.32 C ATOM 1506 CE3 TRP B 16 4.182 3.127 -17.296 1.00 62.43 C ATOM 1507 CZ2 TRP B 16 6.523 4.701 -17.146 1.00 14.02 C ATOM 1508 CZ3 TRP B 16 4.882 3.474 -18.430 1.00 21.04 C ATOM 1509 CH2 TRP B 16 6.045 4.253 -18.351 1.00 42.31 C ATOM 0 H TRP B 16 0.817 1.808 -13.349 1.00 35.12 H new ATOM 0 HA TRP B 16 1.836 4.420 -13.551 1.00 14.32 H new ATOM 0 HB2 TRP B 16 3.122 2.252 -13.262 1.00 54.02 H new ATOM 0 HB3 TRP B 16 2.759 1.841 -14.926 1.00 54.02 H new ATOM 0 HD1 TRP B 16 5.011 4.150 -12.835 1.00 2.31 H new ATOM 0 HE1 TRP B 16 6.832 5.206 -14.336 1.00 15.41 H new ATOM 0 HE3 TRP B 16 3.292 2.520 -17.365 1.00 62.43 H new ATOM 0 HZ2 TRP B 16 7.418 5.302 -17.088 1.00 14.02 H new ATOM 0 HZ3 TRP B 16 4.530 3.141 -19.395 1.00 21.04 H new ATOM 0 HH2 TRP B 16 6.575 4.505 -19.257 1.00 42.31 H new ATOM 1520 N GLU B 17 0.609 3.236 -16.405 1.00 52.22 N ATOM 1521 CA GLU B 17 0.134 3.582 -17.773 1.00 54.25 C ATOM 1522 C GLU B 17 -0.918 4.726 -17.764 1.00 63.42 C ATOM 1523 O GLU B 17 -0.949 5.551 -18.683 1.00 11.13 O ATOM 1524 CB GLU B 17 -0.474 2.337 -18.472 1.00 65.14 C ATOM 1525 CG GLU B 17 0.486 1.150 -18.660 1.00 40.23 C ATOM 1526 CD GLU B 17 -0.185 -0.035 -19.382 1.00 2.41 C ATOM 1527 OE1 GLU B 17 -1.110 -0.647 -18.803 1.00 52.02 O ATOM 1528 OE2 GLU B 17 0.174 -0.334 -20.543 1.00 21.32 O ATOM 0 H GLU B 17 0.387 2.280 -16.129 1.00 52.22 H new ATOM 0 HA GLU B 17 1.007 3.930 -18.325 1.00 54.25 H new ATOM 0 HB2 GLU B 17 -1.333 1.999 -17.892 1.00 65.14 H new ATOM 0 HB3 GLU B 17 -0.849 2.638 -19.450 1.00 65.14 H new ATOM 0 HG2 GLU B 17 1.356 1.476 -19.231 1.00 40.23 H new ATOM 0 HG3 GLU B 17 0.849 0.821 -17.686 1.00 40.23 H new ATOM 1535 N ALA B 18 -1.773 4.760 -16.720 1.00 20.11 N ATOM 1536 CA ALA B 18 -2.799 5.821 -16.539 1.00 34.42 C ATOM 1537 C ALA B 18 -2.147 7.212 -16.299 1.00 0.04 C ATOM 1538 O ALA B 18 -2.690 8.252 -16.695 1.00 60.24 O ATOM 1539 CB ALA B 18 -3.732 5.456 -15.372 1.00 71.22 C ATOM 0 H ALA B 18 -1.776 4.058 -15.980 1.00 20.11 H new ATOM 0 HA ALA B 18 -3.382 5.886 -17.457 1.00 34.42 H new ATOM 0 HB1 ALA B 18 -4.480 6.238 -15.246 1.00 71.22 H new ATOM 0 HB2 ALA B 18 -4.229 4.510 -15.586 1.00 71.22 H new ATOM 0 HB3 ALA B 18 -3.149 5.361 -14.456 1.00 71.22 H new ATOM 1545 N LEU B 19 -0.981 7.204 -15.627 1.00 62.43 N ATOM 1546 CA LEU B 19 -0.179 8.423 -15.365 1.00 61.32 C ATOM 1547 C LEU B 19 0.720 8.783 -16.576 1.00 24.04 C ATOM 1548 O LEU B 19 1.127 9.941 -16.717 1.00 34.11 O ATOM 1549 CB LEU B 19 0.696 8.237 -14.092 1.00 15.12 C ATOM 1550 CG LEU B 19 -0.025 8.307 -12.705 1.00 62.44 C ATOM 1551 CD1 LEU B 19 -1.141 7.257 -12.560 1.00 33.24 C ATOM 1552 CD2 LEU B 19 0.997 8.171 -11.559 1.00 11.50 C ATOM 0 H LEU B 19 -0.564 6.354 -15.248 1.00 62.43 H new ATOM 0 HA LEU B 19 -0.876 9.245 -15.203 1.00 61.32 H new ATOM 0 HB2 LEU B 19 1.194 7.270 -14.164 1.00 15.12 H new ATOM 0 HB3 LEU B 19 1.476 8.999 -14.105 1.00 15.12 H new ATOM 0 HG LEU B 19 -0.503 9.285 -12.647 1.00 62.44 H new ATOM 0 HD11 LEU B 19 -1.605 7.353 -11.579 1.00 33.24 H new ATOM 0 HD12 LEU B 19 -1.892 7.415 -13.334 1.00 33.24 H new ATOM 0 HD13 LEU B 19 -0.717 6.258 -12.665 1.00 33.24 H new ATOM 0 HD21 LEU B 19 0.479 8.222 -10.601 1.00 11.50 H new ATOM 0 HD22 LEU B 19 1.512 7.214 -11.643 1.00 11.50 H new ATOM 0 HD23 LEU B 19 1.724 8.981 -11.622 1.00 11.50 H new ATOM 1564 N ASN B 20 1.032 7.790 -17.435 1.00 15.34 N ATOM 1565 CA ASN B 20 1.881 7.997 -18.631 1.00 24.21 C ATOM 1566 C ASN B 20 1.077 8.752 -19.723 1.00 52.14 C ATOM 1567 O ASN B 20 -0.017 8.329 -20.098 1.00 63.02 O ATOM 1568 CB ASN B 20 2.409 6.629 -19.164 1.00 33.45 C ATOM 1569 CG ASN B 20 3.455 6.740 -20.286 1.00 64.34 C ATOM 1570 OD1 ASN B 20 3.814 7.821 -20.739 1.00 13.22 O ATOM 1571 ND2 ASN B 20 3.949 5.611 -20.750 1.00 45.33 N ATOM 0 H ASN B 20 0.707 6.830 -17.322 1.00 15.34 H new ATOM 0 HA ASN B 20 2.744 8.605 -18.358 1.00 24.21 H new ATOM 0 HB2 ASN B 20 2.844 6.074 -18.333 1.00 33.45 H new ATOM 0 HB3 ASN B 20 1.564 6.046 -19.529 1.00 33.45 H new ATOM 0 HD21 ASN B 20 4.642 5.627 -21.498 1.00 45.33 H new ATOM 0 HD22 ASN B 20 3.639 4.721 -20.361 1.00 45.33 H new ATOM 1578 N GLY B 21 1.639 9.870 -20.223 1.00 22.51 N ATOM 1579 CA GLY B 21 0.946 10.739 -21.200 1.00 43.42 C ATOM 1580 C GLY B 21 0.171 11.907 -20.562 1.00 75.43 C ATOM 1581 O GLY B 21 -0.229 12.847 -21.257 1.00 73.44 O ATOM 0 H GLY B 21 2.572 10.194 -19.967 1.00 22.51 H new ATOM 0 HA2 GLY B 21 1.681 11.142 -21.897 1.00 43.42 H new ATOM 0 HA3 GLY B 21 0.253 10.132 -21.783 1.00 43.42 H new ATOM 1585 N THR B 22 -0.034 11.846 -19.231 1.00 61.33 N ATOM 1586 CA THR B 22 -0.729 12.908 -18.458 1.00 52.35 C ATOM 1587 C THR B 22 0.276 13.648 -17.544 1.00 33.24 C ATOM 1588 O THR B 22 1.439 13.249 -17.431 1.00 72.42 O ATOM 1589 CB THR B 22 -1.902 12.325 -17.576 1.00 60.23 C ATOM 1590 OG1 THR B 22 -1.381 11.474 -16.538 1.00 72.44 O ATOM 1591 CG2 THR B 22 -2.930 11.539 -18.418 1.00 63.14 C ATOM 0 H THR B 22 0.275 11.062 -18.657 1.00 61.33 H new ATOM 0 HA THR B 22 -1.159 13.603 -19.180 1.00 52.35 H new ATOM 0 HB THR B 22 -2.414 13.177 -17.129 1.00 60.23 H new ATOM 0 HG1 THR B 22 -0.522 11.099 -16.823 1.00 72.44 H new ATOM 0 HG21 THR B 22 -3.717 11.158 -17.768 1.00 63.14 H new ATOM 0 HG22 THR B 22 -3.367 12.199 -19.168 1.00 63.14 H new ATOM 0 HG23 THR B 22 -2.433 10.705 -18.914 1.00 63.14 H new ATOM 1599 N GLU B 23 -0.180 14.735 -16.896 1.00 30.33 N ATOM 1600 CA GLU B 23 0.617 15.454 -15.861 1.00 64.24 C ATOM 1601 C GLU B 23 0.564 14.734 -14.484 1.00 24.30 C ATOM 1602 O GLU B 23 1.180 15.185 -13.512 1.00 34.23 O ATOM 1603 CB GLU B 23 0.085 16.902 -15.704 1.00 51.01 C ATOM 1604 CG GLU B 23 0.016 17.710 -17.013 1.00 23.31 C ATOM 1605 CD GLU B 23 -0.544 19.128 -16.819 1.00 52.31 C ATOM 1606 OE1 GLU B 23 -1.674 19.259 -16.294 1.00 11.13 O ATOM 1607 OE2 GLU B 23 0.125 20.113 -17.194 1.00 25.44 O ATOM 0 H GLU B 23 -1.099 15.143 -17.065 1.00 30.33 H new ATOM 0 HA GLU B 23 1.655 15.467 -16.194 1.00 64.24 H new ATOM 0 HB2 GLU B 23 -0.912 16.862 -15.265 1.00 51.01 H new ATOM 0 HB3 GLU B 23 0.723 17.434 -14.998 1.00 51.01 H new ATOM 0 HG2 GLU B 23 1.015 17.776 -17.445 1.00 23.31 H new ATOM 0 HG3 GLU B 23 -0.606 17.175 -17.730 1.00 23.31 H new ATOM 1614 N GLY B 24 -0.165 13.604 -14.427 1.00 42.53 N ATOM 1615 CA GLY B 24 -0.470 12.911 -13.174 1.00 5.22 C ATOM 1616 C GLY B 24 -1.948 13.023 -12.804 1.00 73.23 C ATOM 1617 O GLY B 24 -2.626 13.984 -13.194 1.00 71.31 O ATOM 0 H GLY B 24 -0.557 13.150 -15.252 1.00 42.53 H new ATOM 0 HA2 GLY B 24 -0.198 11.860 -13.266 1.00 5.22 H new ATOM 0 HA3 GLY B 24 0.138 13.329 -12.371 1.00 5.22 H new ATOM 1621 N LEU B 25 -2.448 12.051 -12.032 1.00 13.25 N ATOM 1622 CA LEU B 25 -3.880 11.949 -11.661 1.00 54.40 C ATOM 1623 C LEU B 25 -4.029 11.715 -10.137 1.00 54.22 C ATOM 1624 O LEU B 25 -3.122 11.175 -9.499 1.00 54.11 O ATOM 1625 CB LEU B 25 -4.545 10.782 -12.452 1.00 75.34 C ATOM 1626 CG LEU B 25 -4.625 10.935 -14.008 1.00 55.41 C ATOM 1627 CD1 LEU B 25 -5.212 9.664 -14.666 1.00 12.53 C ATOM 1628 CD2 LEU B 25 -5.431 12.194 -14.408 1.00 33.03 C ATOM 0 H LEU B 25 -1.874 11.304 -11.640 1.00 13.25 H new ATOM 0 HA LEU B 25 -4.379 12.884 -11.916 1.00 54.40 H new ATOM 0 HB2 LEU B 25 -3.998 9.866 -12.229 1.00 75.34 H new ATOM 0 HB3 LEU B 25 -5.558 10.649 -12.072 1.00 75.34 H new ATOM 0 HG LEU B 25 -3.608 11.062 -14.379 1.00 55.41 H new ATOM 0 HD11 LEU B 25 -5.255 9.800 -15.747 1.00 12.53 H new ATOM 0 HD12 LEU B 25 -4.578 8.808 -14.433 1.00 12.53 H new ATOM 0 HD13 LEU B 25 -6.217 9.487 -14.282 1.00 12.53 H new ATOM 0 HD21 LEU B 25 -5.468 12.272 -15.495 1.00 33.03 H new ATOM 0 HD22 LEU B 25 -6.445 12.117 -14.015 1.00 33.03 H new ATOM 0 HD23 LEU B 25 -4.948 13.081 -13.997 1.00 33.03 H new ATOM 1640 N THR B 26 -5.182 12.110 -9.554 1.00 10.44 N ATOM 1641 CA THR B 26 -5.510 11.781 -8.136 1.00 52.33 C ATOM 1642 C THR B 26 -5.974 10.314 -8.046 1.00 13.24 C ATOM 1643 O THR B 26 -6.328 9.723 -9.066 1.00 0.11 O ATOM 1644 CB THR B 26 -6.640 12.693 -7.541 1.00 62.35 C ATOM 1645 OG1 THR B 26 -7.893 12.424 -8.196 1.00 60.41 O ATOM 1646 CG2 THR B 26 -6.302 14.188 -7.670 1.00 50.13 C ATOM 0 H THR B 26 -5.900 12.653 -10.033 1.00 10.44 H new ATOM 0 HA THR B 26 -4.603 11.951 -7.556 1.00 52.33 H new ATOM 0 HB THR B 26 -6.720 12.457 -6.480 1.00 62.35 H new ATOM 0 HG1 THR B 26 -8.591 12.997 -7.816 1.00 60.41 H new ATOM 0 HG21 THR B 26 -7.111 14.782 -7.245 1.00 50.13 H new ATOM 0 HG22 THR B 26 -5.377 14.399 -7.134 1.00 50.13 H new ATOM 0 HG23 THR B 26 -6.178 14.443 -8.722 1.00 50.13 H new ATOM 1654 N GLN B 27 -5.988 9.740 -6.827 1.00 31.41 N ATOM 1655 CA GLN B 27 -6.392 8.328 -6.609 1.00 14.42 C ATOM 1656 C GLN B 27 -7.780 7.994 -7.233 1.00 13.23 C ATOM 1657 O GLN B 27 -7.938 6.941 -7.841 1.00 73.15 O ATOM 1658 CB GLN B 27 -6.349 7.977 -5.094 1.00 72.14 C ATOM 1659 CG GLN B 27 -7.140 8.924 -4.181 1.00 3.30 C ATOM 1660 CD GLN B 27 -7.118 8.556 -2.695 1.00 40.35 C ATOM 1661 OE1 GLN B 27 -7.152 9.434 -1.836 1.00 71.22 O ATOM 1662 NE2 GLN B 27 -7.119 7.277 -2.369 1.00 44.31 N ATOM 0 H GLN B 27 -5.724 10.231 -5.973 1.00 31.41 H new ATOM 0 HA GLN B 27 -5.668 7.702 -7.131 1.00 14.42 H new ATOM 0 HB2 GLN B 27 -6.732 6.965 -4.961 1.00 72.14 H new ATOM 0 HB3 GLN B 27 -5.309 7.969 -4.769 1.00 72.14 H new ATOM 0 HG2 GLN B 27 -6.742 9.932 -4.296 1.00 3.30 H new ATOM 0 HG3 GLN B 27 -8.176 8.949 -4.519 1.00 3.30 H new ATOM 0 HE21 GLN B 27 -7.090 6.565 -3.099 1.00 44.31 H new ATOM 0 HE22 GLN B 27 -7.148 7.001 -1.388 1.00 44.31 H new ATOM 1671 N LYS B 28 -8.747 8.932 -7.118 1.00 44.43 N ATOM 1672 CA LYS B 28 -10.108 8.789 -7.716 1.00 41.34 C ATOM 1673 C LYS B 28 -10.047 8.722 -9.273 1.00 53.50 C ATOM 1674 O LYS B 28 -10.741 7.911 -9.895 1.00 41.22 O ATOM 1675 CB LYS B 28 -11.063 9.955 -7.277 1.00 54.11 C ATOM 1676 CG LYS B 28 -11.495 9.969 -5.778 1.00 63.25 C ATOM 1677 CD LYS B 28 -10.341 10.314 -4.813 1.00 34.52 C ATOM 1678 CE LYS B 28 -10.745 10.310 -3.324 1.00 74.32 C ATOM 1679 NZ LYS B 28 -11.684 11.414 -2.995 1.00 54.24 N ATOM 0 H LYS B 28 -8.614 9.808 -6.612 1.00 44.43 H new ATOM 0 HA LYS B 28 -10.512 7.849 -7.340 1.00 41.34 H new ATOM 0 HB2 LYS B 28 -10.571 10.902 -7.500 1.00 54.11 H new ATOM 0 HB3 LYS B 28 -11.962 9.910 -7.892 1.00 54.11 H new ATOM 0 HG2 LYS B 28 -12.299 10.693 -5.646 1.00 63.25 H new ATOM 0 HG3 LYS B 28 -11.900 8.992 -5.515 1.00 63.25 H new ATOM 0 HD2 LYS B 28 -9.531 9.599 -4.961 1.00 34.52 H new ATOM 0 HD3 LYS B 28 -9.948 11.298 -5.070 1.00 34.52 H new ATOM 0 HE2 LYS B 28 -11.209 9.355 -3.078 1.00 74.32 H new ATOM 0 HE3 LYS B 28 -9.851 10.399 -2.706 1.00 74.32 H new ATOM 0 HZ1 LYS B 28 -11.163 12.188 -2.536 1.00 54.24 H new ATOM 0 HZ2 LYS B 28 -12.127 11.765 -3.868 1.00 54.24 H new ATOM 0 HZ3 LYS B 28 -12.420 11.063 -2.350 1.00 54.24 H new ATOM 1693 N GLN B 29 -9.196 9.585 -9.879 1.00 24.31 N ATOM 1694 CA GLN B 29 -9.018 9.660 -11.359 1.00 62.22 C ATOM 1695 C GLN B 29 -8.340 8.383 -11.914 1.00 61.14 C ATOM 1696 O GLN B 29 -8.740 7.854 -12.959 1.00 3.43 O ATOM 1697 CB GLN B 29 -8.174 10.911 -11.746 1.00 40.33 C ATOM 1698 CG GLN B 29 -8.743 12.282 -11.305 1.00 42.33 C ATOM 1699 CD GLN B 29 -9.993 12.753 -12.066 1.00 44.10 C ATOM 1700 OE1 GLN B 29 -10.823 11.966 -12.507 1.00 14.54 O ATOM 1701 NE2 GLN B 29 -10.138 14.055 -12.217 1.00 71.35 N ATOM 0 H GLN B 29 -8.615 10.247 -9.364 1.00 24.31 H new ATOM 0 HA GLN B 29 -10.010 9.743 -11.803 1.00 62.22 H new ATOM 0 HB2 GLN B 29 -7.178 10.799 -11.317 1.00 40.33 H new ATOM 0 HB3 GLN B 29 -8.054 10.922 -12.829 1.00 40.33 H new ATOM 0 HG2 GLN B 29 -8.982 12.232 -10.243 1.00 42.33 H new ATOM 0 HG3 GLN B 29 -7.963 13.034 -11.421 1.00 42.33 H new ATOM 0 HE21 GLN B 29 -9.436 14.693 -11.843 1.00 71.35 H new ATOM 0 HE22 GLN B 29 -10.952 14.424 -12.708 1.00 71.35 H new ATOM 1710 N ILE B 30 -7.307 7.908 -11.190 1.00 73.41 N ATOM 1711 CA ILE B 30 -6.529 6.702 -11.560 1.00 44.43 C ATOM 1712 C ILE B 30 -7.419 5.445 -11.538 1.00 24.34 C ATOM 1713 O ILE B 30 -7.380 4.643 -12.467 1.00 22.14 O ATOM 1714 CB ILE B 30 -5.300 6.495 -10.592 1.00 3.32 C ATOM 1715 CG1 ILE B 30 -4.370 7.746 -10.619 1.00 61.35 C ATOM 1716 CG2 ILE B 30 -4.507 5.212 -10.952 1.00 63.22 C ATOM 1717 CD1 ILE B 30 -3.258 7.769 -9.581 1.00 70.42 C ATOM 0 H ILE B 30 -6.985 8.349 -10.329 1.00 73.41 H new ATOM 0 HA ILE B 30 -6.155 6.856 -12.572 1.00 44.43 H new ATOM 0 HB ILE B 30 -5.686 6.370 -9.580 1.00 3.32 H new ATOM 0 HG12 ILE B 30 -3.919 7.818 -11.609 1.00 61.35 H new ATOM 0 HG13 ILE B 30 -4.985 8.635 -10.484 1.00 61.35 H new ATOM 0 HG21 ILE B 30 -3.667 5.099 -10.266 1.00 63.22 H new ATOM 0 HG22 ILE B 30 -5.162 4.344 -10.870 1.00 63.22 H new ATOM 0 HG23 ILE B 30 -4.134 5.290 -11.973 1.00 63.22 H new ATOM 0 HD11 ILE B 30 -2.675 8.683 -9.692 1.00 70.42 H new ATOM 0 HD12 ILE B 30 -3.692 7.735 -8.582 1.00 70.42 H new ATOM 0 HD13 ILE B 30 -2.609 6.905 -9.724 1.00 70.42 H new ATOM 1729 N LYS B 31 -8.226 5.310 -10.465 1.00 41.42 N ATOM 1730 CA LYS B 31 -9.205 4.203 -10.299 1.00 4.34 C ATOM 1731 C LYS B 31 -10.118 4.036 -11.535 1.00 41.53 C ATOM 1732 O LYS B 31 -10.357 2.921 -11.993 1.00 74.34 O ATOM 1733 CB LYS B 31 -10.092 4.459 -9.055 1.00 51.32 C ATOM 1734 CG LYS B 31 -9.427 4.224 -7.684 1.00 73.54 C ATOM 1735 CD LYS B 31 -10.320 4.684 -6.502 1.00 40.41 C ATOM 1736 CE LYS B 31 -11.580 3.812 -6.260 1.00 51.53 C ATOM 1737 NZ LYS B 31 -12.596 3.869 -7.349 1.00 50.44 N ATOM 0 H LYS B 31 -8.221 5.966 -9.684 1.00 41.42 H new ATOM 0 HA LYS B 31 -8.628 3.287 -10.175 1.00 4.34 H new ATOM 0 HB2 LYS B 31 -10.445 5.490 -9.092 1.00 51.32 H new ATOM 0 HB3 LYS B 31 -10.971 3.818 -9.124 1.00 51.32 H new ATOM 0 HG2 LYS B 31 -9.199 3.164 -7.572 1.00 73.54 H new ATOM 0 HG3 LYS B 31 -8.478 4.759 -7.648 1.00 73.54 H new ATOM 0 HD2 LYS B 31 -9.719 4.690 -5.592 1.00 40.41 H new ATOM 0 HD3 LYS B 31 -10.636 5.712 -6.682 1.00 40.41 H new ATOM 0 HE2 LYS B 31 -11.268 2.776 -6.127 1.00 51.53 H new ATOM 0 HE3 LYS B 31 -12.049 4.126 -5.328 1.00 51.53 H new ATOM 0 HZ1 LYS B 31 -13.550 3.839 -6.936 1.00 50.44 H new ATOM 0 HZ2 LYS B 31 -12.480 4.752 -7.887 1.00 50.44 H new ATOM 0 HZ3 LYS B 31 -12.468 3.057 -7.986 1.00 50.44 H new ATOM 1751 N LYS B 32 -10.617 5.166 -12.056 1.00 14.35 N ATOM 1752 CA LYS B 32 -11.522 5.192 -13.223 1.00 32.33 C ATOM 1753 C LYS B 32 -10.798 4.738 -14.520 1.00 71.44 C ATOM 1754 O LYS B 32 -11.362 4.001 -15.338 1.00 61.40 O ATOM 1755 CB LYS B 32 -12.104 6.620 -13.387 1.00 41.01 C ATOM 1756 CG LYS B 32 -13.164 6.766 -14.499 1.00 53.21 C ATOM 1757 CD LYS B 32 -14.420 5.898 -14.248 1.00 15.44 C ATOM 1758 CE LYS B 32 -15.473 6.051 -15.358 1.00 44.34 C ATOM 1759 NZ LYS B 32 -15.917 7.463 -15.525 1.00 3.54 N ATOM 0 H LYS B 32 -10.406 6.091 -11.682 1.00 14.35 H new ATOM 0 HA LYS B 32 -12.334 4.486 -13.049 1.00 32.33 H new ATOM 0 HB2 LYS B 32 -12.548 6.927 -12.440 1.00 41.01 H new ATOM 0 HB3 LYS B 32 -11.285 7.309 -13.593 1.00 41.01 H new ATOM 0 HG2 LYS B 32 -13.461 7.812 -14.577 1.00 53.21 H new ATOM 0 HG3 LYS B 32 -12.721 6.488 -15.455 1.00 53.21 H new ATOM 0 HD2 LYS B 32 -14.125 4.851 -14.173 1.00 15.44 H new ATOM 0 HD3 LYS B 32 -14.863 6.174 -13.291 1.00 15.44 H new ATOM 0 HE2 LYS B 32 -15.061 5.688 -16.300 1.00 44.34 H new ATOM 0 HE3 LYS B 32 -16.336 5.426 -15.126 1.00 44.34 H new ATOM 0 HZ1 LYS B 32 -16.730 7.497 -16.172 1.00 3.54 H new ATOM 0 HZ2 LYS B 32 -16.193 7.852 -14.601 1.00 3.54 H new ATOM 0 HZ3 LYS B 32 -15.138 8.028 -15.919 1.00 3.54 H new ATOM 1773 N ALA B 33 -9.539 5.178 -14.678 1.00 71.40 N ATOM 1774 CA ALA B 33 -8.703 4.849 -15.858 1.00 21.23 C ATOM 1775 C ALA B 33 -8.236 3.367 -15.855 1.00 11.23 C ATOM 1776 O ALA B 33 -8.136 2.729 -16.908 1.00 30.43 O ATOM 1777 CB ALA B 33 -7.497 5.801 -15.912 1.00 71.34 C ATOM 0 H ALA B 33 -9.067 5.771 -13.996 1.00 71.40 H new ATOM 0 HA ALA B 33 -9.314 4.981 -16.751 1.00 21.23 H new ATOM 0 HB1 ALA B 33 -6.882 5.560 -16.779 1.00 71.34 H new ATOM 0 HB2 ALA B 33 -7.849 6.830 -15.991 1.00 71.34 H new ATOM 0 HB3 ALA B 33 -6.904 5.689 -15.004 1.00 71.34 H new ATOM 1783 N THR B 34 -7.963 2.833 -14.648 1.00 61.14 N ATOM 1784 CA THR B 34 -7.440 1.448 -14.447 1.00 10.31 C ATOM 1785 C THR B 34 -8.560 0.434 -14.142 1.00 73.45 C ATOM 1786 O THR B 34 -8.299 -0.769 -14.045 1.00 33.13 O ATOM 1787 CB THR B 34 -6.405 1.416 -13.278 1.00 31.20 C ATOM 1788 OG1 THR B 34 -7.037 1.814 -12.045 1.00 64.22 O ATOM 1789 CG2 THR B 34 -5.217 2.341 -13.560 1.00 24.14 C ATOM 0 H THR B 34 -8.096 3.344 -13.776 1.00 61.14 H new ATOM 0 HA THR B 34 -6.962 1.161 -15.384 1.00 10.31 H new ATOM 0 HB THR B 34 -6.036 0.394 -13.190 1.00 31.20 H new ATOM 0 HG1 THR B 34 -7.209 2.779 -12.062 1.00 64.22 H new ATOM 0 HG21 THR B 34 -4.515 2.296 -12.727 1.00 24.14 H new ATOM 0 HG22 THR B 34 -4.717 2.022 -14.474 1.00 24.14 H new ATOM 0 HG23 THR B 34 -5.573 3.364 -13.679 1.00 24.14 H new ATOM 1797 N LYS B 35 -9.792 0.957 -13.951 1.00 51.50 N ATOM 1798 CA LYS B 35 -11.037 0.170 -13.707 1.00 43.25 C ATOM 1799 C LYS B 35 -11.060 -0.439 -12.279 1.00 54.05 C ATOM 1800 O LYS B 35 -11.845 -1.352 -11.981 1.00 4.54 O ATOM 1801 CB LYS B 35 -11.292 -0.905 -14.821 1.00 53.42 C ATOM 1802 CG LYS B 35 -11.143 -0.368 -16.272 1.00 53.05 C ATOM 1803 CD LYS B 35 -11.957 0.922 -16.531 1.00 61.14 C ATOM 1804 CE LYS B 35 -11.603 1.594 -17.868 1.00 42.23 C ATOM 1805 NZ LYS B 35 -12.274 2.910 -18.024 1.00 73.20 N ATOM 0 H LYS B 35 -9.960 1.963 -13.961 1.00 51.50 H new ATOM 0 HA LYS B 35 -11.871 0.869 -13.766 1.00 43.25 H new ATOM 0 HB2 LYS B 35 -10.596 -1.732 -14.678 1.00 53.42 H new ATOM 0 HB3 LYS B 35 -12.297 -1.309 -14.697 1.00 53.42 H new ATOM 0 HG2 LYS B 35 -10.090 -0.172 -16.474 1.00 53.05 H new ATOM 0 HG3 LYS B 35 -11.464 -1.139 -16.973 1.00 53.05 H new ATOM 0 HD2 LYS B 35 -13.020 0.683 -16.521 1.00 61.14 H new ATOM 0 HD3 LYS B 35 -11.781 1.626 -15.718 1.00 61.14 H new ATOM 0 HE2 LYS B 35 -10.523 1.728 -17.932 1.00 42.23 H new ATOM 0 HE3 LYS B 35 -11.892 0.940 -18.690 1.00 42.23 H new ATOM 0 HZ1 LYS B 35 -11.894 3.396 -18.861 1.00 73.20 H new ATOM 0 HZ2 LYS B 35 -13.297 2.766 -18.142 1.00 73.20 H new ATOM 0 HZ3 LYS B 35 -12.101 3.490 -17.178 1.00 73.20 H new ATOM 1819 N LEU B 36 -10.208 0.118 -11.393 1.00 24.41 N ATOM 1820 CA LEU B 36 -10.189 -0.193 -9.951 1.00 11.31 C ATOM 1821 C LEU B 36 -11.448 0.389 -9.261 1.00 53.23 C ATOM 1822 O LEU B 36 -11.589 1.609 -9.121 1.00 23.14 O ATOM 1823 CB LEU B 36 -8.887 0.372 -9.296 1.00 74.32 C ATOM 1824 CG LEU B 36 -7.639 -0.572 -9.259 1.00 42.31 C ATOM 1825 CD1 LEU B 36 -7.295 -1.195 -10.623 1.00 31.44 C ATOM 1826 CD2 LEU B 36 -6.427 0.180 -8.685 1.00 31.13 C ATOM 0 H LEU B 36 -9.505 0.805 -11.664 1.00 24.41 H new ATOM 0 HA LEU B 36 -10.197 -1.275 -9.822 1.00 11.31 H new ATOM 0 HB2 LEU B 36 -8.608 1.281 -9.829 1.00 74.32 H new ATOM 0 HB3 LEU B 36 -9.122 0.662 -8.272 1.00 74.32 H new ATOM 0 HG LEU B 36 -7.899 -1.406 -8.607 1.00 42.31 H new ATOM 0 HD11 LEU B 36 -6.420 -1.837 -10.520 1.00 31.44 H new ATOM 0 HD12 LEU B 36 -8.139 -1.787 -10.976 1.00 31.44 H new ATOM 0 HD13 LEU B 36 -7.082 -0.403 -11.341 1.00 31.44 H new ATOM 0 HD21 LEU B 36 -5.563 -0.485 -8.663 1.00 31.13 H new ATOM 0 HD22 LEU B 36 -6.204 1.044 -9.312 1.00 31.13 H new ATOM 0 HD23 LEU B 36 -6.653 0.515 -7.673 1.00 31.13 H new ATOM 1838 N LYS B 37 -12.362 -0.500 -8.842 1.00 32.13 N ATOM 1839 CA LYS B 37 -13.619 -0.104 -8.161 1.00 13.15 C ATOM 1840 C LYS B 37 -13.333 0.436 -6.733 1.00 73.14 C ATOM 1841 O LYS B 37 -14.041 1.314 -6.232 1.00 32.54 O ATOM 1842 CB LYS B 37 -14.636 -1.295 -8.120 1.00 14.32 C ATOM 1843 CG LYS B 37 -14.391 -2.404 -7.054 1.00 43.52 C ATOM 1844 CD LYS B 37 -13.060 -3.182 -7.231 1.00 1.11 C ATOM 1845 CE LYS B 37 -12.829 -4.214 -6.115 1.00 41.10 C ATOM 1846 NZ LYS B 37 -11.551 -4.947 -6.272 1.00 52.15 N ATOM 0 H LYS B 37 -12.258 -1.508 -8.961 1.00 32.13 H new ATOM 0 HA LYS B 37 -14.072 0.702 -8.738 1.00 13.15 H new ATOM 0 HB2 LYS B 37 -15.632 -0.883 -7.956 1.00 14.32 H new ATOM 0 HB3 LYS B 37 -14.644 -1.767 -9.103 1.00 14.32 H new ATOM 0 HG2 LYS B 37 -14.402 -1.948 -6.064 1.00 43.52 H new ATOM 0 HG3 LYS B 37 -15.219 -3.112 -7.088 1.00 43.52 H new ATOM 0 HD2 LYS B 37 -13.065 -3.690 -8.196 1.00 1.11 H new ATOM 0 HD3 LYS B 37 -12.230 -2.476 -7.247 1.00 1.11 H new ATOM 0 HE2 LYS B 37 -12.837 -3.708 -5.150 1.00 41.10 H new ATOM 0 HE3 LYS B 37 -13.654 -4.927 -6.108 1.00 41.10 H new ATOM 0 HZ1 LYS B 37 -11.631 -5.883 -5.827 1.00 52.15 H new ATOM 0 HZ2 LYS B 37 -11.339 -5.062 -7.284 1.00 52.15 H new ATOM 0 HZ3 LYS B 37 -10.785 -4.411 -5.816 1.00 52.15 H new ATOM 1860 N ALA B 38 -12.249 -0.082 -6.112 1.00 43.42 N ATOM 1861 CA ALA B 38 -11.857 0.239 -4.725 1.00 51.54 C ATOM 1862 C ALA B 38 -10.412 0.783 -4.653 1.00 11.14 C ATOM 1863 O ALA B 38 -9.532 0.370 -5.419 1.00 72.32 O ATOM 1864 CB ALA B 38 -12.009 -1.017 -3.844 1.00 74.23 C ATOM 0 H ALA B 38 -11.617 -0.741 -6.566 1.00 43.42 H new ATOM 0 HA ALA B 38 -12.516 1.024 -4.354 1.00 51.54 H new ATOM 0 HB1 ALA B 38 -11.720 -0.780 -2.820 1.00 74.23 H new ATOM 0 HB2 ALA B 38 -13.047 -1.349 -3.860 1.00 74.23 H new ATOM 0 HB3 ALA B 38 -11.368 -1.811 -4.228 1.00 74.23 H new ATOM 1870 N ASP B 39 -10.194 1.732 -3.723 1.00 62.11 N ATOM 1871 CA ASP B 39 -8.856 2.260 -3.372 1.00 43.01 C ATOM 1872 C ASP B 39 -7.967 1.152 -2.758 1.00 24.12 C ATOM 1873 O ASP B 39 -6.749 1.263 -2.766 1.00 75.01 O ATOM 1874 CB ASP B 39 -8.980 3.432 -2.374 1.00 32.22 C ATOM 1875 CG ASP B 39 -9.868 4.573 -2.884 1.00 5.55 C ATOM 1876 OD1 ASP B 39 -11.110 4.454 -2.781 1.00 10.20 O ATOM 1877 OD2 ASP B 39 -9.334 5.594 -3.375 1.00 4.51 O ATOM 0 H ASP B 39 -10.948 2.160 -3.187 1.00 62.11 H new ATOM 0 HA ASP B 39 -8.390 2.617 -4.290 1.00 43.01 H new ATOM 0 HB2 ASP B 39 -9.386 3.058 -1.434 1.00 32.22 H new ATOM 0 HB3 ASP B 39 -7.986 3.823 -2.159 1.00 32.22 H new ATOM 1882 N LYS B 40 -8.619 0.114 -2.189 1.00 11.24 N ATOM 1883 CA LYS B 40 -7.952 -1.063 -1.569 1.00 73.15 C ATOM 1884 C LYS B 40 -6.937 -1.738 -2.531 1.00 75.13 C ATOM 1885 O LYS B 40 -5.849 -2.142 -2.109 1.00 4.31 O ATOM 1886 CB LYS B 40 -9.023 -2.092 -1.127 1.00 14.35 C ATOM 1887 CG LYS B 40 -10.132 -1.508 -0.223 1.00 2.13 C ATOM 1888 CD LYS B 40 -9.616 -1.024 1.153 1.00 50.04 C ATOM 1889 CE LYS B 40 -10.737 -0.407 2.007 1.00 33.54 C ATOM 1890 NZ LYS B 40 -10.299 -0.094 3.382 1.00 63.33 N ATOM 0 H LYS B 40 -9.637 0.065 -2.145 1.00 11.24 H new ATOM 0 HA LYS B 40 -7.392 -0.708 -0.704 1.00 73.15 H new ATOM 0 HB2 LYS B 40 -9.484 -2.523 -2.016 1.00 14.35 H new ATOM 0 HB3 LYS B 40 -8.530 -2.907 -0.597 1.00 14.35 H new ATOM 0 HG2 LYS B 40 -10.607 -0.673 -0.738 1.00 2.13 H new ATOM 0 HG3 LYS B 40 -10.900 -2.266 -0.068 1.00 2.13 H new ATOM 0 HD2 LYS B 40 -9.173 -1.863 1.689 1.00 50.04 H new ATOM 0 HD3 LYS B 40 -8.826 -0.287 1.005 1.00 50.04 H new ATOM 0 HE2 LYS B 40 -11.094 0.504 1.527 1.00 33.54 H new ATOM 0 HE3 LYS B 40 -11.580 -1.097 2.047 1.00 33.54 H new ATOM 0 HZ1 LYS B 40 -11.120 -0.108 4.020 1.00 63.33 H new ATOM 0 HZ2 LYS B 40 -9.605 -0.803 3.695 1.00 63.33 H new ATOM 0 HZ3 LYS B 40 -9.862 0.850 3.401 1.00 63.33 H new ATOM 1904 N ASP B 41 -7.322 -1.856 -3.820 1.00 1.25 N ATOM 1905 CA ASP B 41 -6.427 -2.339 -4.890 1.00 43.52 C ATOM 1906 C ASP B 41 -5.300 -1.304 -5.131 1.00 73.31 C ATOM 1907 O ASP B 41 -4.114 -1.644 -5.160 1.00 61.12 O ATOM 1908 CB ASP B 41 -7.226 -2.554 -6.202 1.00 25.14 C ATOM 1909 CG ASP B 41 -8.511 -3.374 -6.014 1.00 2.14 C ATOM 1910 OD1 ASP B 41 -9.563 -2.782 -5.684 1.00 62.24 O ATOM 1911 OD2 ASP B 41 -8.482 -4.611 -6.207 1.00 20.40 O ATOM 0 H ASP B 41 -8.259 -1.620 -4.146 1.00 1.25 H new ATOM 0 HA ASP B 41 -5.990 -3.289 -4.583 1.00 43.52 H new ATOM 0 HB2 ASP B 41 -7.484 -1.582 -6.624 1.00 25.14 H new ATOM 0 HB3 ASP B 41 -6.587 -3.057 -6.928 1.00 25.14 H new ATOM 1916 N PHE B 42 -5.715 -0.033 -5.271 1.00 64.43 N ATOM 1917 CA PHE B 42 -4.818 1.107 -5.553 1.00 71.01 C ATOM 1918 C PHE B 42 -3.660 1.253 -4.522 1.00 54.11 C ATOM 1919 O PHE B 42 -2.560 1.628 -4.897 1.00 63.01 O ATOM 1920 CB PHE B 42 -5.651 2.419 -5.638 1.00 63.44 C ATOM 1921 CG PHE B 42 -4.816 3.658 -5.917 1.00 24.45 C ATOM 1922 CD1 PHE B 42 -4.268 3.870 -7.181 1.00 43.24 C ATOM 1923 CD2 PHE B 42 -4.533 4.585 -4.909 1.00 62.35 C ATOM 1924 CE1 PHE B 42 -3.481 4.972 -7.430 1.00 51.21 C ATOM 1925 CE2 PHE B 42 -3.741 5.684 -5.164 1.00 74.14 C ATOM 1926 CZ PHE B 42 -3.213 5.877 -6.423 1.00 54.23 C ATOM 0 H PHE B 42 -6.695 0.237 -5.191 1.00 64.43 H new ATOM 0 HA PHE B 42 -4.339 0.908 -6.512 1.00 71.01 H new ATOM 0 HB2 PHE B 42 -6.400 2.313 -6.423 1.00 63.44 H new ATOM 0 HB3 PHE B 42 -6.189 2.558 -4.700 1.00 63.44 H new ATOM 0 HD1 PHE B 42 -4.463 3.162 -7.973 1.00 43.24 H new ATOM 0 HD2 PHE B 42 -4.940 4.438 -3.919 1.00 62.35 H new ATOM 0 HE1 PHE B 42 -3.072 5.129 -8.417 1.00 51.21 H new ATOM 0 HE2 PHE B 42 -3.534 6.394 -4.377 1.00 74.14 H new ATOM 0 HZ PHE B 42 -2.590 6.736 -6.621 1.00 54.23 H new ATOM 1936 N PHE B 43 -3.911 0.958 -3.235 1.00 25.35 N ATOM 1937 CA PHE B 43 -2.869 1.067 -2.172 1.00 43.41 C ATOM 1938 C PHE B 43 -1.724 0.038 -2.374 1.00 2.24 C ATOM 1939 O PHE B 43 -0.571 0.317 -2.044 1.00 32.51 O ATOM 1940 CB PHE B 43 -3.501 0.924 -0.765 1.00 23.12 C ATOM 1941 CG PHE B 43 -4.556 1.987 -0.449 1.00 15.22 C ATOM 1942 CD1 PHE B 43 -4.345 3.335 -0.780 1.00 73.22 C ATOM 1943 CD2 PHE B 43 -5.755 1.645 0.174 1.00 4.42 C ATOM 1944 CE1 PHE B 43 -5.299 4.295 -0.498 1.00 60.31 C ATOM 1945 CE2 PHE B 43 -6.707 2.604 0.457 1.00 1.33 C ATOM 1946 CZ PHE B 43 -6.479 3.927 0.119 1.00 73.12 C ATOM 0 H PHE B 43 -4.820 0.642 -2.896 1.00 25.35 H new ATOM 0 HA PHE B 43 -2.427 2.060 -2.251 1.00 43.41 H new ATOM 0 HB2 PHE B 43 -3.957 -0.063 -0.680 1.00 23.12 H new ATOM 0 HB3 PHE B 43 -2.711 0.976 -0.016 1.00 23.12 H new ATOM 0 HD1 PHE B 43 -3.424 3.626 -1.262 1.00 73.22 H new ATOM 0 HD2 PHE B 43 -5.942 0.615 0.439 1.00 4.42 H new ATOM 0 HE1 PHE B 43 -5.123 5.328 -0.759 1.00 60.31 H new ATOM 0 HE2 PHE B 43 -7.630 2.322 0.942 1.00 1.33 H new ATOM 0 HZ PHE B 43 -7.227 4.675 0.339 1.00 73.12 H new ATOM 1956 N LEU B 44 -2.068 -1.146 -2.913 1.00 44.24 N ATOM 1957 CA LEU B 44 -1.075 -2.179 -3.305 1.00 30.32 C ATOM 1958 C LEU B 44 -0.315 -1.743 -4.589 1.00 3.42 C ATOM 1959 O LEU B 44 0.912 -1.881 -4.669 1.00 45.52 O ATOM 1960 CB LEU B 44 -1.770 -3.562 -3.523 1.00 63.23 C ATOM 1961 CG LEU B 44 -2.121 -4.392 -2.237 1.00 53.34 C ATOM 1962 CD1 LEU B 44 -3.046 -3.624 -1.266 1.00 14.42 C ATOM 1963 CD2 LEU B 44 -2.733 -5.765 -2.613 1.00 61.12 C ATOM 0 H LEU B 44 -3.035 -1.418 -3.091 1.00 44.24 H new ATOM 0 HA LEU B 44 -0.354 -2.284 -2.494 1.00 30.32 H new ATOM 0 HB2 LEU B 44 -2.692 -3.394 -4.080 1.00 63.23 H new ATOM 0 HB3 LEU B 44 -1.123 -4.171 -4.154 1.00 63.23 H new ATOM 0 HG LEU B 44 -1.183 -4.562 -1.709 1.00 53.34 H new ATOM 0 HD11 LEU B 44 -3.256 -4.245 -0.395 1.00 14.42 H new ATOM 0 HD12 LEU B 44 -2.555 -2.705 -0.946 1.00 14.42 H new ATOM 0 HD13 LEU B 44 -3.981 -3.379 -1.771 1.00 14.42 H new ATOM 0 HD21 LEU B 44 -2.967 -6.320 -1.705 1.00 61.12 H new ATOM 0 HD22 LEU B 44 -3.645 -5.611 -3.189 1.00 61.12 H new ATOM 0 HD23 LEU B 44 -2.018 -6.331 -3.210 1.00 61.12 H new ATOM 1975 N GLY B 45 -1.068 -1.209 -5.578 1.00 23.22 N ATOM 1976 CA GLY B 45 -0.484 -0.737 -6.846 1.00 42.52 C ATOM 1977 C GLY B 45 0.458 0.463 -6.672 1.00 24.52 C ATOM 1978 O GLY B 45 1.634 0.380 -7.004 1.00 23.41 O ATOM 0 H GLY B 45 -2.080 -1.096 -5.518 1.00 23.22 H new ATOM 0 HA2 GLY B 45 0.064 -1.556 -7.312 1.00 42.52 H new ATOM 0 HA3 GLY B 45 -1.288 -0.463 -7.528 1.00 42.52 H new ATOM 1982 N LEU B 46 -0.084 1.582 -6.151 1.00 64.54 N ATOM 1983 CA LEU B 46 0.705 2.772 -5.724 1.00 71.01 C ATOM 1984 C LEU B 46 1.837 2.404 -4.726 1.00 72.43 C ATOM 1985 O LEU B 46 2.916 3.002 -4.757 1.00 75.33 O ATOM 1986 CB LEU B 46 -0.213 3.846 -5.073 1.00 42.12 C ATOM 1987 CG LEU B 46 0.517 5.116 -4.518 1.00 50.53 C ATOM 1988 CD1 LEU B 46 1.274 5.849 -5.638 1.00 33.13 C ATOM 1989 CD2 LEU B 46 -0.450 6.064 -3.769 1.00 24.55 C ATOM 0 H LEU B 46 -1.088 1.694 -6.011 1.00 64.54 H new ATOM 0 HA LEU B 46 1.161 3.175 -6.628 1.00 71.01 H new ATOM 0 HB2 LEU B 46 -0.948 4.166 -5.812 1.00 42.12 H new ATOM 0 HB3 LEU B 46 -0.764 3.380 -4.256 1.00 42.12 H new ATOM 0 HG LEU B 46 1.249 4.775 -3.786 1.00 50.53 H new ATOM 0 HD11 LEU B 46 1.772 6.727 -5.226 1.00 33.13 H new ATOM 0 HD12 LEU B 46 2.017 5.181 -6.073 1.00 33.13 H new ATOM 0 HD13 LEU B 46 0.570 6.160 -6.410 1.00 33.13 H new ATOM 0 HD21 LEU B 46 0.101 6.930 -3.402 1.00 24.55 H new ATOM 0 HD22 LEU B 46 -1.235 6.395 -4.449 1.00 24.55 H new ATOM 0 HD23 LEU B 46 -0.898 5.536 -2.927 1.00 24.55 H new ATOM 2001 N GLY B 47 1.575 1.418 -3.859 1.00 75.03 N ATOM 2002 CA GLY B 47 2.589 0.917 -2.915 1.00 51.02 C ATOM 2003 C GLY B 47 3.808 0.324 -3.630 1.00 44.11 C ATOM 2004 O GLY B 47 4.942 0.433 -3.155 1.00 72.12 O ATOM 0 H GLY B 47 0.671 0.950 -3.790 1.00 75.03 H new ATOM 0 HA2 GLY B 47 2.912 1.731 -2.266 1.00 51.02 H new ATOM 0 HA3 GLY B 47 2.141 0.157 -2.274 1.00 51.02 H new ATOM 2008 N TRP B 48 3.550 -0.290 -4.802 1.00 11.31 N ATOM 2009 CA TRP B 48 4.600 -0.805 -5.698 1.00 12.12 C ATOM 2010 C TRP B 48 5.275 0.339 -6.510 1.00 31.34 C ATOM 2011 O TRP B 48 6.475 0.277 -6.822 1.00 23.43 O ATOM 2012 CB TRP B 48 4.015 -1.869 -6.646 1.00 61.13 C ATOM 2013 CG TRP B 48 5.070 -2.716 -7.301 1.00 41.24 C ATOM 2014 CD1 TRP B 48 5.695 -2.517 -8.502 1.00 53.31 C ATOM 2015 CD2 TRP B 48 5.640 -3.888 -6.745 1.00 31.10 C ATOM 2016 NE1 TRP B 48 6.609 -3.511 -8.719 1.00 71.31 N ATOM 2017 CE2 TRP B 48 6.594 -4.366 -7.654 1.00 34.24 C ATOM 2018 CE3 TRP B 48 5.420 -4.579 -5.561 1.00 12.04 C ATOM 2019 CZ2 TRP B 48 7.335 -5.509 -7.408 1.00 14.32 C ATOM 2020 CZ3 TRP B 48 6.149 -5.709 -5.315 1.00 5.42 C ATOM 2021 CH2 TRP B 48 7.098 -6.168 -6.232 1.00 72.55 C ATOM 0 H TRP B 48 2.604 -0.442 -5.153 1.00 11.31 H new ATOM 0 HA TRP B 48 5.371 -1.265 -5.080 1.00 12.12 H new ATOM 0 HB2 TRP B 48 3.336 -2.512 -6.086 1.00 61.13 H new ATOM 0 HB3 TRP B 48 3.423 -1.375 -7.417 1.00 61.13 H new ATOM 0 HD1 TRP B 48 5.496 -1.698 -9.177 1.00 53.31 H new ATOM 0 HE1 TRP B 48 7.205 -3.599 -9.542 1.00 71.31 H new ATOM 0 HE3 TRP B 48 4.687 -4.231 -4.848 1.00 12.04 H new ATOM 0 HZ2 TRP B 48 8.070 -5.866 -8.115 1.00 14.32 H new ATOM 0 HZ3 TRP B 48 5.989 -6.256 -4.397 1.00 5.42 H new ATOM 0 HH2 TRP B 48 7.658 -7.064 -6.008 1.00 72.55 H new ATOM 2032 N LEU B 49 4.491 1.370 -6.863 1.00 50.51 N ATOM 2033 CA LEU B 49 5.013 2.615 -7.485 1.00 70.31 C ATOM 2034 C LEU B 49 6.037 3.331 -6.558 1.00 41.24 C ATOM 2035 O LEU B 49 6.976 3.968 -7.031 1.00 1.23 O ATOM 2036 CB LEU B 49 3.840 3.573 -7.846 1.00 60.44 C ATOM 2037 CG LEU B 49 3.150 3.392 -9.238 1.00 10.05 C ATOM 2038 CD1 LEU B 49 2.705 1.955 -9.482 1.00 13.45 C ATOM 2039 CD2 LEU B 49 1.953 4.356 -9.376 1.00 73.54 C ATOM 0 H LEU B 49 3.480 1.372 -6.729 1.00 50.51 H new ATOM 0 HA LEU B 49 5.535 2.337 -8.400 1.00 70.31 H new ATOM 0 HB2 LEU B 49 3.074 3.469 -7.077 1.00 60.44 H new ATOM 0 HB3 LEU B 49 4.213 4.595 -7.788 1.00 60.44 H new ATOM 0 HG LEU B 49 3.894 3.632 -9.998 1.00 10.05 H new ATOM 0 HD11 LEU B 49 2.232 1.882 -10.461 1.00 13.45 H new ATOM 0 HD12 LEU B 49 3.572 1.295 -9.447 1.00 13.45 H new ATOM 0 HD13 LEU B 49 1.993 1.659 -8.712 1.00 13.45 H new ATOM 0 HD21 LEU B 49 1.484 4.217 -10.350 1.00 73.54 H new ATOM 0 HD22 LEU B 49 1.226 4.148 -8.591 1.00 73.54 H new ATOM 0 HD23 LEU B 49 2.302 5.385 -9.285 1.00 73.54 H new ATOM 2051 N LEU B 50 5.803 3.247 -5.241 1.00 3.32 N ATOM 2052 CA LEU B 50 6.765 3.703 -4.215 1.00 62.35 C ATOM 2053 C LEU B 50 7.913 2.675 -4.032 1.00 13.20 C ATOM 2054 O LEU B 50 9.051 3.061 -3.774 1.00 61.11 O ATOM 2055 CB LEU B 50 6.034 3.967 -2.867 1.00 10.51 C ATOM 2056 CG LEU B 50 4.918 5.065 -2.901 1.00 40.22 C ATOM 2057 CD1 LEU B 50 4.211 5.195 -1.533 1.00 53.15 C ATOM 2058 CD2 LEU B 50 5.479 6.430 -3.381 1.00 64.41 C ATOM 0 H LEU B 50 4.943 2.862 -4.852 1.00 3.32 H new ATOM 0 HA LEU B 50 7.210 4.639 -4.554 1.00 62.35 H new ATOM 0 HB2 LEU B 50 5.587 3.032 -2.528 1.00 10.51 H new ATOM 0 HB3 LEU B 50 6.777 4.254 -2.123 1.00 10.51 H new ATOM 0 HG LEU B 50 4.169 4.746 -3.626 1.00 40.22 H new ATOM 0 HD11 LEU B 50 3.443 5.966 -1.592 1.00 53.15 H new ATOM 0 HD12 LEU B 50 3.750 4.243 -1.270 1.00 53.15 H new ATOM 0 HD13 LEU B 50 4.941 5.468 -0.771 1.00 53.15 H new ATOM 0 HD21 LEU B 50 4.678 7.169 -3.393 1.00 64.41 H new ATOM 0 HD22 LEU B 50 6.266 6.759 -2.702 1.00 64.41 H new ATOM 0 HD23 LEU B 50 5.888 6.322 -4.386 1.00 64.41 H new ATOM 2070 N ARG B 51 7.585 1.365 -4.171 1.00 0.21 N ATOM 2071 CA ARG B 51 8.546 0.228 -3.993 1.00 65.34 C ATOM 2072 C ARG B 51 9.787 0.374 -4.901 1.00 24.21 C ATOM 2073 O ARG B 51 10.924 0.242 -4.435 1.00 12.31 O ATOM 2074 CB ARG B 51 7.787 -1.122 -4.239 1.00 44.34 C ATOM 2075 CG ARG B 51 8.479 -2.465 -3.843 1.00 4.11 C ATOM 2076 CD ARG B 51 9.551 -2.977 -4.846 1.00 41.54 C ATOM 2077 NE ARG B 51 9.750 -4.442 -4.783 1.00 70.11 N ATOM 2078 CZ ARG B 51 10.348 -5.112 -3.819 1.00 72.45 C ATOM 2079 NH1 ARG B 51 10.984 -4.523 -2.859 1.00 52.31 N ATOM 2080 NH2 ARG B 51 10.349 -6.397 -3.859 1.00 53.44 N ATOM 0 H ARG B 51 6.642 1.058 -4.411 1.00 0.21 H new ATOM 0 HA ARG B 51 8.926 0.237 -2.972 1.00 65.34 H new ATOM 0 HB2 ARG B 51 6.840 -1.069 -3.702 1.00 44.34 H new ATOM 0 HB3 ARG B 51 7.548 -1.176 -5.301 1.00 44.34 H new ATOM 0 HG2 ARG B 51 8.948 -2.340 -2.867 1.00 4.11 H new ATOM 0 HG3 ARG B 51 7.712 -3.232 -3.732 1.00 4.11 H new ATOM 0 HD2 ARG B 51 9.256 -2.699 -5.858 1.00 41.54 H new ATOM 0 HD3 ARG B 51 10.499 -2.478 -4.642 1.00 41.54 H new ATOM 0 HE ARG B 51 9.388 -4.988 -5.565 1.00 70.11 H new ATOM 0 HH11 ARG B 51 11.035 -3.505 -2.831 1.00 52.31 H new ATOM 0 HH12 ARG B 51 11.434 -5.077 -2.130 1.00 52.31 H new ATOM 0 HH21 ARG B 51 9.891 -6.884 -4.630 1.00 53.44 H new ATOM 0 HH22 ARG B 51 10.808 -6.930 -3.120 1.00 53.44 H new ATOM 2094 N GLU B 52 9.559 0.665 -6.191 1.00 25.41 N ATOM 2095 CA GLU B 52 10.657 0.853 -7.172 1.00 62.51 C ATOM 2096 C GLU B 52 11.028 2.348 -7.347 1.00 42.13 C ATOM 2097 O GLU B 52 11.928 2.665 -8.138 1.00 14.15 O ATOM 2098 CB GLU B 52 10.252 0.249 -8.543 1.00 55.53 C ATOM 2099 CG GLU B 52 10.017 -1.273 -8.574 1.00 44.14 C ATOM 2100 CD GLU B 52 9.661 -1.782 -9.986 1.00 32.31 C ATOM 2101 OE1 GLU B 52 10.584 -1.972 -10.811 1.00 71.31 O ATOM 2102 OE2 GLU B 52 8.460 -1.934 -10.295 1.00 63.44 O ATOM 0 H GLU B 52 8.625 0.777 -6.587 1.00 25.41 H new ATOM 0 HA GLU B 52 11.535 0.336 -6.785 1.00 62.51 H new ATOM 0 HB2 GLU B 52 9.340 0.743 -8.879 1.00 55.53 H new ATOM 0 HB3 GLU B 52 11.031 0.490 -9.267 1.00 55.53 H new ATOM 0 HG2 GLU B 52 10.913 -1.784 -8.221 1.00 44.14 H new ATOM 0 HG3 GLU B 52 9.212 -1.528 -7.885 1.00 44.14 H new ATOM 2109 N ASP B 53 10.324 3.254 -6.615 1.00 4.43 N ATOM 2110 CA ASP B 53 10.462 4.731 -6.765 1.00 44.24 C ATOM 2111 C ASP B 53 10.143 5.186 -8.221 1.00 55.03 C ATOM 2112 O ASP B 53 10.798 6.065 -8.788 1.00 64.23 O ATOM 2113 CB ASP B 53 11.859 5.214 -6.272 1.00 20.21 C ATOM 2114 CG ASP B 53 12.068 4.959 -4.764 1.00 54.02 C ATOM 2115 OD1 ASP B 53 11.395 5.622 -3.942 1.00 32.50 O ATOM 2116 OD2 ASP B 53 12.908 4.111 -4.387 1.00 21.10 O ATOM 0 H ASP B 53 9.645 2.982 -5.904 1.00 4.43 H new ATOM 0 HA ASP B 53 9.721 5.211 -6.126 1.00 44.24 H new ATOM 0 HB2 ASP B 53 12.638 4.702 -6.836 1.00 20.21 H new ATOM 0 HB3 ASP B 53 11.966 6.279 -6.476 1.00 20.21 H new ATOM 2121 N LYS B 54 9.075 4.580 -8.777 1.00 55.40 N ATOM 2122 CA LYS B 54 8.578 4.839 -10.151 1.00 60.04 C ATOM 2123 C LYS B 54 7.921 6.233 -10.241 1.00 22.42 C ATOM 2124 O LYS B 54 8.013 6.914 -11.272 1.00 54.32 O ATOM 2125 CB LYS B 54 7.529 3.748 -10.552 1.00 41.11 C ATOM 2126 CG LYS B 54 7.952 2.307 -10.201 1.00 54.40 C ATOM 2127 CD LYS B 54 6.867 1.232 -10.486 1.00 12.14 C ATOM 2128 CE LYS B 54 6.783 0.829 -11.965 1.00 70.35 C ATOM 2129 NZ LYS B 54 8.024 0.143 -12.426 1.00 0.33 N ATOM 0 H LYS B 54 8.521 3.884 -8.278 1.00 55.40 H new ATOM 0 HA LYS B 54 9.427 4.804 -10.834 1.00 60.04 H new ATOM 0 HB2 LYS B 54 6.584 3.969 -10.056 1.00 41.11 H new ATOM 0 HB3 LYS B 54 7.348 3.811 -11.625 1.00 41.11 H new ATOM 0 HG2 LYS B 54 8.850 2.057 -10.765 1.00 54.40 H new ATOM 0 HG3 LYS B 54 8.218 2.266 -9.145 1.00 54.40 H new ATOM 0 HD2 LYS B 54 7.077 0.346 -9.887 1.00 12.14 H new ATOM 0 HD3 LYS B 54 5.897 1.611 -10.165 1.00 12.14 H new ATOM 0 HE2 LYS B 54 5.927 0.170 -12.114 1.00 70.35 H new ATOM 0 HE3 LYS B 54 6.611 1.717 -12.574 1.00 70.35 H new ATOM 0 HZ1 LYS B 54 7.846 -0.319 -13.340 1.00 0.33 H new ATOM 0 HZ2 LYS B 54 8.787 0.841 -12.534 1.00 0.33 H new ATOM 0 HZ3 LYS B 54 8.306 -0.572 -11.726 1.00 0.33 H new ATOM 2143 N VAL B 55 7.248 6.650 -9.141 1.00 44.54 N ATOM 2144 CA VAL B 55 6.443 7.900 -9.109 1.00 31.44 C ATOM 2145 C VAL B 55 6.727 8.741 -7.842 1.00 65.10 C ATOM 2146 O VAL B 55 7.492 8.343 -6.961 1.00 74.02 O ATOM 2147 CB VAL B 55 4.893 7.616 -9.169 1.00 75.21 C ATOM 2148 CG1 VAL B 55 4.510 6.744 -10.381 1.00 24.11 C ATOM 2149 CG2 VAL B 55 4.381 7.018 -7.832 1.00 40.42 C ATOM 0 H VAL B 55 7.246 6.137 -8.259 1.00 44.54 H new ATOM 0 HA VAL B 55 6.744 8.457 -9.996 1.00 31.44 H new ATOM 0 HB VAL B 55 4.391 8.573 -9.310 1.00 75.21 H new ATOM 0 HG11 VAL B 55 3.433 6.574 -10.381 1.00 24.11 H new ATOM 0 HG12 VAL B 55 4.797 7.253 -11.301 1.00 24.11 H new ATOM 0 HG13 VAL B 55 5.028 5.787 -10.319 1.00 24.11 H new ATOM 0 HG21 VAL B 55 3.309 6.833 -7.903 1.00 40.42 H new ATOM 0 HG22 VAL B 55 4.899 6.080 -7.631 1.00 40.42 H new ATOM 0 HG23 VAL B 55 4.575 7.720 -7.021 1.00 40.42 H new ATOM 2159 N VAL B 56 6.052 9.898 -7.771 1.00 65.41 N ATOM 2160 CA VAL B 56 6.032 10.786 -6.603 1.00 3.23 C ATOM 2161 C VAL B 56 4.568 11.165 -6.250 1.00 71.42 C ATOM 2162 O VAL B 56 3.753 11.444 -7.135 1.00 11.34 O ATOM 2163 CB VAL B 56 6.929 12.062 -6.856 1.00 10.13 C ATOM 2164 CG1 VAL B 56 6.530 12.794 -8.164 1.00 42.35 C ATOM 2165 CG2 VAL B 56 6.927 13.029 -5.637 1.00 45.43 C ATOM 0 H VAL B 56 5.490 10.250 -8.546 1.00 65.41 H new ATOM 0 HA VAL B 56 6.457 10.262 -5.747 1.00 3.23 H new ATOM 0 HB VAL B 56 7.952 11.708 -6.980 1.00 10.13 H new ATOM 0 HG11 VAL B 56 7.170 13.666 -8.303 1.00 42.35 H new ATOM 0 HG12 VAL B 56 6.650 12.118 -9.010 1.00 42.35 H new ATOM 0 HG13 VAL B 56 5.490 13.114 -8.099 1.00 42.35 H new ATOM 0 HG21 VAL B 56 7.556 13.892 -5.856 1.00 45.43 H new ATOM 0 HG22 VAL B 56 5.909 13.364 -5.440 1.00 45.43 H new ATOM 0 HG23 VAL B 56 7.315 12.510 -4.760 1.00 45.43 H new ATOM 2175 N THR B 57 4.241 11.142 -4.944 1.00 64.02 N ATOM 2176 CA THR B 57 2.881 11.434 -4.439 1.00 40.14 C ATOM 2177 C THR B 57 2.837 12.830 -3.785 1.00 31.05 C ATOM 2178 O THR B 57 3.864 13.363 -3.352 1.00 42.14 O ATOM 2179 CB THR B 57 2.395 10.353 -3.413 1.00 64.34 C ATOM 2180 OG1 THR B 57 3.251 10.329 -2.253 1.00 11.35 O ATOM 2181 CG2 THR B 57 2.367 8.953 -4.048 1.00 11.22 C ATOM 0 H THR B 57 4.911 10.921 -4.207 1.00 64.02 H new ATOM 0 HA THR B 57 2.207 11.413 -5.295 1.00 40.14 H new ATOM 0 HB THR B 57 1.383 10.625 -3.112 1.00 64.34 H new ATOM 0 HG1 THR B 57 3.267 9.424 -1.877 1.00 11.35 H new ATOM 0 HG21 THR B 57 2.026 8.226 -3.311 1.00 11.22 H new ATOM 0 HG22 THR B 57 1.687 8.953 -4.900 1.00 11.22 H new ATOM 0 HG23 THR B 57 3.369 8.686 -4.384 1.00 11.22 H new ATOM 2189 N SER B 58 1.644 13.426 -3.747 1.00 32.52 N ATOM 2190 CA SER B 58 1.420 14.788 -3.214 1.00 44.12 C ATOM 2191 C SER B 58 0.105 14.842 -2.426 1.00 64.55 C ATOM 2192 O SER B 58 -0.876 14.188 -2.791 1.00 71.14 O ATOM 2193 CB SER B 58 1.384 15.827 -4.371 1.00 74.23 C ATOM 2194 OG SER B 58 2.622 15.873 -5.076 1.00 35.24 O ATOM 0 H SER B 58 0.792 12.980 -4.087 1.00 32.52 H new ATOM 0 HA SER B 58 2.245 15.034 -2.546 1.00 44.12 H new ATOM 0 HB2 SER B 58 0.580 15.574 -5.063 1.00 74.23 H new ATOM 0 HB3 SER B 58 1.158 16.814 -3.967 1.00 74.23 H new ATOM 0 HG SER B 58 2.564 16.535 -5.797 1.00 35.24 H new ATOM 2200 N GLU B 59 0.097 15.623 -1.339 1.00 11.52 N ATOM 2201 CA GLU B 59 -1.118 15.879 -0.548 1.00 12.41 C ATOM 2202 C GLU B 59 -1.716 17.225 -0.991 1.00 62.13 C ATOM 2203 O GLU B 59 -1.179 18.288 -0.655 1.00 14.34 O ATOM 2204 CB GLU B 59 -0.798 15.912 0.974 1.00 73.15 C ATOM 2205 CG GLU B 59 -2.032 16.127 1.885 1.00 54.21 C ATOM 2206 CD GLU B 59 -1.651 16.431 3.344 1.00 61.45 C ATOM 2207 OE1 GLU B 59 -1.373 15.489 4.106 1.00 1.02 O ATOM 2208 OE2 GLU B 59 -1.598 17.627 3.723 1.00 13.35 O ATOM 0 H GLU B 59 0.928 16.095 -0.982 1.00 11.52 H new ATOM 0 HA GLU B 59 -1.833 15.074 -0.718 1.00 12.41 H new ATOM 0 HB2 GLU B 59 -0.316 14.974 1.252 1.00 73.15 H new ATOM 0 HB3 GLU B 59 -0.079 16.709 1.164 1.00 73.15 H new ATOM 0 HG2 GLU B 59 -2.629 16.949 1.492 1.00 54.21 H new ATOM 0 HG3 GLU B 59 -2.659 15.236 1.856 1.00 54.21 H new ATOM 2215 N VAL B 60 -2.801 17.176 -1.780 1.00 32.25 N ATOM 2216 CA VAL B 60 -3.526 18.392 -2.198 1.00 22.05 C ATOM 2217 C VAL B 60 -4.869 18.447 -1.448 1.00 41.42 C ATOM 2218 O VAL B 60 -5.831 17.768 -1.820 1.00 14.51 O ATOM 2219 CB VAL B 60 -3.759 18.425 -3.756 1.00 14.55 C ATOM 2220 CG1 VAL B 60 -4.574 19.676 -4.190 1.00 4.33 C ATOM 2221 CG2 VAL B 60 -2.401 18.353 -4.499 1.00 23.25 C ATOM 0 H VAL B 60 -3.197 16.309 -2.143 1.00 32.25 H new ATOM 0 HA VAL B 60 -2.923 19.266 -1.949 1.00 22.05 H new ATOM 0 HB VAL B 60 -4.351 17.552 -4.029 1.00 14.55 H new ATOM 0 HG11 VAL B 60 -4.714 19.662 -5.271 1.00 4.33 H new ATOM 0 HG12 VAL B 60 -5.547 19.665 -3.698 1.00 4.33 H new ATOM 0 HG13 VAL B 60 -4.034 20.579 -3.905 1.00 4.33 H new ATOM 0 HG21 VAL B 60 -2.573 18.376 -5.575 1.00 23.25 H new ATOM 0 HG22 VAL B 60 -1.784 19.204 -4.212 1.00 23.25 H new ATOM 0 HG23 VAL B 60 -1.890 17.428 -4.234 1.00 23.25 H new ATOM 2231 N GLU B 61 -4.903 19.299 -0.405 1.00 22.02 N ATOM 2232 CA GLU B 61 -6.080 19.544 0.464 1.00 72.14 C ATOM 2233 C GLU B 61 -6.820 18.233 0.895 1.00 53.22 C ATOM 2234 O GLU B 61 -8.056 18.166 0.902 1.00 72.11 O ATOM 2235 CB GLU B 61 -7.025 20.577 -0.229 1.00 72.22 C ATOM 2236 CG GLU B 61 -6.286 21.792 -0.856 1.00 71.43 C ATOM 2237 CD GLU B 61 -7.146 23.063 -0.957 1.00 45.40 C ATOM 2238 OE1 GLU B 61 -7.222 23.814 0.040 1.00 52.34 O ATOM 2239 OE2 GLU B 61 -7.736 23.326 -2.027 1.00 3.43 O ATOM 0 H GLU B 61 -4.091 19.854 -0.133 1.00 22.02 H new ATOM 0 HA GLU B 61 -5.726 19.969 1.403 1.00 72.14 H new ATOM 0 HB2 GLU B 61 -7.592 20.068 -1.009 1.00 72.22 H new ATOM 0 HB3 GLU B 61 -7.746 20.942 0.503 1.00 72.22 H new ATOM 0 HG2 GLU B 61 -5.400 22.012 -0.261 1.00 71.43 H new ATOM 0 HG3 GLU B 61 -5.941 21.519 -1.853 1.00 71.43 H new ATOM 2246 N GLY B 62 -6.029 17.204 1.282 1.00 64.23 N ATOM 2247 CA GLY B 62 -6.568 15.890 1.705 1.00 54.43 C ATOM 2248 C GLY B 62 -6.562 14.796 0.618 1.00 74.03 C ATOM 2249 O GLY B 62 -6.552 13.600 0.941 1.00 30.45 O ATOM 0 H GLY B 62 -5.011 17.260 1.310 1.00 64.23 H new ATOM 0 HA2 GLY B 62 -5.989 15.535 2.558 1.00 54.43 H new ATOM 0 HA3 GLY B 62 -7.592 16.030 2.051 1.00 54.43 H new ATOM 2253 N GLU B 63 -6.590 15.190 -0.663 1.00 24.31 N ATOM 2254 CA GLU B 63 -6.565 14.238 -1.811 1.00 42.15 C ATOM 2255 C GLU B 63 -5.135 13.700 -2.092 1.00 1.32 C ATOM 2256 O GLU B 63 -4.164 14.466 -2.099 1.00 74.34 O ATOM 2257 CB GLU B 63 -7.110 14.945 -3.082 1.00 41.13 C ATOM 2258 CG GLU B 63 -8.587 15.392 -3.004 1.00 0.43 C ATOM 2259 CD GLU B 63 -9.591 14.218 -3.036 1.00 64.30 C ATOM 2260 OE1 GLU B 63 -9.806 13.638 -4.121 1.00 61.21 O ATOM 2261 OE2 GLU B 63 -10.174 13.873 -1.988 1.00 42.43 O ATOM 0 H GLU B 63 -6.630 16.170 -0.944 1.00 24.31 H new ATOM 0 HA GLU B 63 -7.194 13.387 -1.550 1.00 42.15 H new ATOM 0 HB2 GLU B 63 -6.492 15.820 -3.285 1.00 41.13 H new ATOM 0 HB3 GLU B 63 -6.995 14.271 -3.931 1.00 41.13 H new ATOM 0 HG2 GLU B 63 -8.737 15.963 -2.088 1.00 0.43 H new ATOM 0 HG3 GLU B 63 -8.799 16.063 -3.836 1.00 0.43 H new ATOM 2268 N ILE B 64 -5.020 12.376 -2.338 1.00 71.15 N ATOM 2269 CA ILE B 64 -3.740 11.742 -2.739 1.00 43.52 C ATOM 2270 C ILE B 64 -3.530 11.902 -4.275 1.00 52.02 C ATOM 2271 O ILE B 64 -4.064 11.124 -5.074 1.00 4.31 O ATOM 2272 CB ILE B 64 -3.703 10.209 -2.316 1.00 44.22 C ATOM 2273 CG1 ILE B 64 -3.891 10.062 -0.768 1.00 35.42 C ATOM 2274 CG2 ILE B 64 -2.398 9.504 -2.786 1.00 24.54 C ATOM 2275 CD1 ILE B 64 -3.939 8.620 -0.256 1.00 32.41 C ATOM 0 H ILE B 64 -5.800 11.722 -2.266 1.00 71.15 H new ATOM 0 HA ILE B 64 -2.924 12.244 -2.219 1.00 43.52 H new ATOM 0 HB ILE B 64 -4.533 9.712 -2.818 1.00 44.22 H new ATOM 0 HG12 ILE B 64 -3.075 10.583 -0.267 1.00 35.42 H new ATOM 0 HG13 ILE B 64 -4.814 10.565 -0.480 1.00 35.42 H new ATOM 0 HG21 ILE B 64 -2.417 8.459 -2.475 1.00 24.54 H new ATOM 0 HG22 ILE B 64 -2.326 9.558 -3.872 1.00 24.54 H new ATOM 0 HG23 ILE B 64 -1.536 10.000 -2.340 1.00 24.54 H new ATOM 0 HD11 ILE B 64 -4.071 8.622 0.826 1.00 32.41 H new ATOM 0 HD12 ILE B 64 -4.773 8.096 -0.723 1.00 32.41 H new ATOM 0 HD13 ILE B 64 -3.007 8.114 -0.506 1.00 32.41 H new ATOM 2287 N PHE B 65 -2.782 12.955 -4.665 1.00 12.43 N ATOM 2288 CA PHE B 65 -2.441 13.260 -6.076 1.00 52.43 C ATOM 2289 C PHE B 65 -1.084 12.622 -6.462 1.00 41.15 C ATOM 2290 O PHE B 65 -0.039 12.994 -5.928 1.00 42.42 O ATOM 2291 CB PHE B 65 -2.406 14.805 -6.283 1.00 34.34 C ATOM 2292 CG PHE B 65 -1.993 15.255 -7.694 1.00 4.31 C ATOM 2293 CD1 PHE B 65 -2.802 14.979 -8.796 1.00 44.55 C ATOM 2294 CD2 PHE B 65 -0.793 15.938 -7.916 1.00 51.25 C ATOM 2295 CE1 PHE B 65 -2.430 15.372 -10.068 1.00 73.12 C ATOM 2296 CE2 PHE B 65 -0.423 16.328 -9.190 1.00 61.33 C ATOM 2297 CZ PHE B 65 -1.241 16.044 -10.267 1.00 41.22 C ATOM 0 H PHE B 65 -2.392 13.627 -4.004 1.00 12.43 H new ATOM 0 HA PHE B 65 -3.205 12.834 -6.726 1.00 52.43 H new ATOM 0 HB2 PHE B 65 -3.393 15.210 -6.062 1.00 34.34 H new ATOM 0 HB3 PHE B 65 -1.714 15.239 -5.561 1.00 34.34 H new ATOM 0 HD1 PHE B 65 -3.733 14.450 -8.653 1.00 44.55 H new ATOM 0 HD2 PHE B 65 -0.146 16.164 -7.081 1.00 51.25 H new ATOM 0 HE1 PHE B 65 -3.072 15.153 -10.909 1.00 73.12 H new ATOM 0 HE2 PHE B 65 0.507 16.855 -9.344 1.00 61.33 H new ATOM 0 HZ PHE B 65 -0.951 16.347 -11.262 1.00 41.22 H new ATOM 2307 N VAL B 66 -1.111 11.666 -7.398 1.00 40.34 N ATOM 2308 CA VAL B 66 0.081 10.878 -7.797 1.00 43.32 C ATOM 2309 C VAL B 66 0.529 11.240 -9.238 1.00 43.24 C ATOM 2310 O VAL B 66 -0.311 11.455 -10.113 1.00 44.42 O ATOM 2311 CB VAL B 66 -0.233 9.340 -7.714 1.00 22.21 C ATOM 2312 CG1 VAL B 66 1.034 8.492 -7.963 1.00 71.02 C ATOM 2313 CG2 VAL B 66 -0.893 8.976 -6.358 1.00 10.23 C ATOM 0 H VAL B 66 -1.957 11.410 -7.906 1.00 40.34 H new ATOM 0 HA VAL B 66 0.891 11.121 -7.109 1.00 43.32 H new ATOM 0 HB VAL B 66 -0.946 9.106 -8.505 1.00 22.21 H new ATOM 0 HG11 VAL B 66 0.782 7.434 -7.898 1.00 71.02 H new ATOM 0 HG12 VAL B 66 1.429 8.711 -8.955 1.00 71.02 H new ATOM 0 HG13 VAL B 66 1.786 8.732 -7.212 1.00 71.02 H new ATOM 0 HG21 VAL B 66 -1.099 7.906 -6.329 1.00 10.23 H new ATOM 0 HG22 VAL B 66 -0.218 9.238 -5.543 1.00 10.23 H new ATOM 0 HG23 VAL B 66 -1.826 9.528 -6.248 1.00 10.23 H new ATOM 2323 N LYS B 67 1.859 11.280 -9.488 1.00 60.21 N ATOM 2324 CA LYS B 67 2.418 11.614 -10.831 1.00 44.32 C ATOM 2325 C LYS B 67 3.800 10.958 -11.026 1.00 45.30 C ATOM 2326 O LYS B 67 4.501 10.733 -10.050 1.00 32.10 O ATOM 2327 CB LYS B 67 2.499 13.159 -10.992 1.00 12.13 C ATOM 2328 CG LYS B 67 3.336 13.876 -9.912 1.00 44.43 C ATOM 2329 CD LYS B 67 3.132 15.404 -9.919 1.00 35.31 C ATOM 2330 CE LYS B 67 3.992 16.116 -8.862 1.00 42.02 C ATOM 2331 NZ LYS B 67 5.441 16.073 -9.198 1.00 52.11 N ATOM 0 H LYS B 67 2.569 11.086 -8.782 1.00 60.21 H new ATOM 0 HA LYS B 67 1.757 11.218 -11.602 1.00 44.32 H new ATOM 0 HB2 LYS B 67 2.921 13.387 -11.971 1.00 12.13 H new ATOM 0 HB3 LYS B 67 1.488 13.566 -10.978 1.00 12.13 H new ATOM 0 HG2 LYS B 67 3.070 13.482 -8.931 1.00 44.43 H new ATOM 0 HG3 LYS B 67 4.391 13.654 -10.069 1.00 44.43 H new ATOM 0 HD2 LYS B 67 3.377 15.796 -10.906 1.00 35.31 H new ATOM 0 HD3 LYS B 67 2.081 15.628 -9.739 1.00 35.31 H new ATOM 0 HE2 LYS B 67 3.671 17.154 -8.774 1.00 42.02 H new ATOM 0 HE3 LYS B 67 3.832 15.649 -7.890 1.00 42.02 H new ATOM 0 HZ1 LYS B 67 5.974 15.692 -8.390 1.00 52.11 H new ATOM 0 HZ2 LYS B 67 5.587 15.463 -10.027 1.00 52.11 H new ATOM 0 HZ3 LYS B 67 5.776 17.034 -9.412 1.00 52.11 H new ATOM 2345 N LEU B 68 4.187 10.658 -12.286 1.00 35.33 N ATOM 2346 CA LEU B 68 5.492 9.999 -12.596 1.00 20.14 C ATOM 2347 C LEU B 68 6.710 10.867 -12.167 1.00 33.32 C ATOM 2348 O LEU B 68 6.619 12.103 -12.133 1.00 44.02 O ATOM 2349 CB LEU B 68 5.613 9.689 -14.121 1.00 23.22 C ATOM 2350 CG LEU B 68 4.510 8.783 -14.765 1.00 13.50 C ATOM 2351 CD1 LEU B 68 4.868 8.415 -16.224 1.00 4.44 C ATOM 2352 CD2 LEU B 68 4.257 7.512 -13.936 1.00 23.13 C ATOM 0 H LEU B 68 3.620 10.859 -13.110 1.00 35.33 H new ATOM 0 HA LEU B 68 5.507 9.072 -12.024 1.00 20.14 H new ATOM 0 HB2 LEU B 68 5.624 10.638 -14.657 1.00 23.22 H new ATOM 0 HB3 LEU B 68 6.580 9.215 -14.292 1.00 23.22 H new ATOM 0 HG LEU B 68 3.588 9.364 -14.773 1.00 13.50 H new ATOM 0 HD11 LEU B 68 4.083 7.786 -16.644 1.00 4.44 H new ATOM 0 HD12 LEU B 68 4.959 9.325 -16.817 1.00 4.44 H new ATOM 0 HD13 LEU B 68 5.814 7.875 -16.241 1.00 4.44 H new ATOM 0 HD21 LEU B 68 3.485 6.911 -14.417 1.00 23.13 H new ATOM 0 HD22 LEU B 68 5.178 6.933 -13.868 1.00 23.13 H new ATOM 0 HD23 LEU B 68 3.929 7.790 -12.935 1.00 23.13 H new ATOM 2364 N VAL B 69 7.846 10.208 -11.836 1.00 44.43 N ATOM 2365 CA VAL B 69 9.147 10.903 -11.682 1.00 45.21 C ATOM 2366 C VAL B 69 9.617 11.379 -13.078 1.00 44.23 C ATOM 2367 O VAL B 69 10.176 10.593 -13.862 1.00 30.11 O ATOM 2368 CB VAL B 69 10.251 9.990 -11.001 1.00 1.53 C ATOM 2369 CG1 VAL B 69 11.625 10.710 -10.908 1.00 51.31 C ATOM 2370 CG2 VAL B 69 9.799 9.515 -9.600 1.00 12.20 C ATOM 0 H VAL B 69 7.888 9.202 -11.671 1.00 44.43 H new ATOM 0 HA VAL B 69 9.006 11.754 -11.016 1.00 45.21 H new ATOM 0 HB VAL B 69 10.375 9.116 -11.641 1.00 1.53 H new ATOM 0 HG11 VAL B 69 12.351 10.049 -10.435 1.00 51.31 H new ATOM 0 HG12 VAL B 69 11.968 10.969 -11.909 1.00 51.31 H new ATOM 0 HG13 VAL B 69 11.521 11.618 -10.314 1.00 51.31 H new ATOM 0 HG21 VAL B 69 10.577 8.891 -9.159 1.00 12.20 H new ATOM 0 HG22 VAL B 69 9.623 10.381 -8.962 1.00 12.20 H new ATOM 0 HG23 VAL B 69 8.879 8.938 -9.691 1.00 12.20 H new ATOM 2380 N LEU B 70 9.322 12.663 -13.381 1.00 12.05 N ATOM 2381 CA LEU B 70 9.515 13.272 -14.720 1.00 11.14 C ATOM 2382 C LEU B 70 10.957 13.077 -15.254 1.00 70.34 C ATOM 2383 O LEU B 70 11.161 12.504 -16.329 1.00 31.44 O ATOM 2384 CB LEU B 70 9.164 14.791 -14.670 1.00 2.33 C ATOM 2385 CG LEU B 70 7.709 15.165 -14.220 1.00 5.25 C ATOM 2386 CD1 LEU B 70 7.517 16.699 -14.164 1.00 75.12 C ATOM 2387 CD2 LEU B 70 6.644 14.502 -15.127 1.00 31.04 C ATOM 0 H LEU B 70 8.939 13.314 -12.696 1.00 12.05 H new ATOM 0 HA LEU B 70 8.843 12.761 -15.409 1.00 11.14 H new ATOM 0 HB2 LEU B 70 9.865 15.280 -13.994 1.00 2.33 H new ATOM 0 HB3 LEU B 70 9.332 15.211 -15.662 1.00 2.33 H new ATOM 0 HG LEU B 70 7.570 14.774 -13.212 1.00 5.25 H new ATOM 0 HD11 LEU B 70 6.499 16.927 -13.849 1.00 75.12 H new ATOM 0 HD12 LEU B 70 8.222 17.128 -13.452 1.00 75.12 H new ATOM 0 HD13 LEU B 70 7.695 17.124 -15.152 1.00 75.12 H new ATOM 0 HD21 LEU B 70 5.648 14.784 -14.785 1.00 31.04 H new ATOM 0 HD22 LEU B 70 6.783 14.836 -16.155 1.00 31.04 H new ATOM 0 HD23 LEU B 70 6.750 13.418 -15.081 1.00 31.04 H new ATOM 2399 N GLU B 71 11.950 13.514 -14.459 1.00 53.20 N ATOM 2400 CA GLU B 71 13.376 13.468 -14.842 1.00 20.11 C ATOM 2401 C GLU B 71 14.218 12.914 -13.664 1.00 41.21 C ATOM 2402 O GLU B 71 14.194 13.462 -12.556 1.00 60.31 O ATOM 2403 CB GLU B 71 13.829 14.900 -15.280 1.00 50.33 C ATOM 2404 CG GLU B 71 15.211 15.014 -15.985 1.00 20.44 C ATOM 2405 CD GLU B 71 16.428 14.987 -15.033 1.00 4.14 C ATOM 2406 OE1 GLU B 71 16.673 15.995 -14.341 1.00 33.51 O ATOM 2407 OE2 GLU B 71 17.142 13.973 -14.970 1.00 53.04 O ATOM 0 H GLU B 71 11.788 13.909 -13.533 1.00 53.20 H new ATOM 0 HA GLU B 71 13.527 12.795 -15.686 1.00 20.11 H new ATOM 0 HB2 GLU B 71 13.071 15.306 -15.950 1.00 50.33 H new ATOM 0 HB3 GLU B 71 13.846 15.536 -14.395 1.00 50.33 H new ATOM 0 HG2 GLU B 71 15.308 14.196 -16.699 1.00 20.44 H new ATOM 0 HG3 GLU B 71 15.236 15.941 -16.558 1.00 20.44 H new ATOM 2414 N HIS B 72 14.938 11.806 -13.922 1.00 74.11 N ATOM 2415 CA HIS B 72 15.941 11.235 -12.998 1.00 70.31 C ATOM 2416 C HIS B 72 17.148 10.714 -13.828 1.00 63.02 C ATOM 2417 O HIS B 72 17.050 9.722 -14.560 1.00 42.34 O ATOM 2418 CB HIS B 72 15.320 10.133 -12.082 1.00 4.55 C ATOM 2419 CG HIS B 72 14.757 8.926 -12.798 1.00 21.34 C ATOM 2420 ND1 HIS B 72 13.608 8.963 -13.565 1.00 15.54 N ATOM 2421 CD2 HIS B 72 15.207 7.644 -12.877 1.00 33.14 C ATOM 2422 CE1 HIS B 72 13.381 7.769 -14.075 1.00 42.21 C ATOM 2423 NE2 HIS B 72 14.334 6.954 -13.678 1.00 72.11 N ATOM 0 H HIS B 72 14.840 11.275 -14.787 1.00 74.11 H new ATOM 0 HA HIS B 72 16.296 12.011 -12.320 1.00 70.31 H new ATOM 0 HB2 HIS B 72 16.085 9.794 -11.383 1.00 4.55 H new ATOM 0 HB3 HIS B 72 14.524 10.585 -11.489 1.00 4.55 H new ATOM 0 HD2 HIS B 72 16.088 7.244 -12.398 1.00 33.14 H new ATOM 0 HE1 HIS B 72 12.551 7.504 -14.713 1.00 42.21 H new ATOM 0 HE2 HIS B 72 14.411 5.968 -13.926 1.00 72.11 H new ATOM 2432 N HIS B 73 18.273 11.439 -13.740 1.00 0.42 N ATOM 2433 CA HIS B 73 19.472 11.196 -14.580 1.00 44.03 C ATOM 2434 C HIS B 73 20.435 10.151 -13.974 1.00 63.25 C ATOM 2435 O HIS B 73 20.342 9.800 -12.793 1.00 52.03 O ATOM 2436 CB HIS B 73 20.205 12.539 -14.858 1.00 25.25 C ATOM 2437 CG HIS B 73 20.440 13.394 -13.636 1.00 45.31 C ATOM 2438 ND1 HIS B 73 19.633 14.466 -13.306 1.00 70.54 N ATOM 2439 CD2 HIS B 73 21.394 13.343 -12.669 1.00 42.21 C ATOM 2440 CE1 HIS B 73 20.077 15.032 -12.203 1.00 71.31 C ATOM 2441 NE2 HIS B 73 21.142 14.373 -11.794 1.00 11.24 N ATOM 0 H HIS B 73 18.385 12.213 -13.086 1.00 0.42 H new ATOM 0 HA HIS B 73 19.125 10.772 -15.522 1.00 44.03 H new ATOM 0 HB2 HIS B 73 21.166 12.323 -15.324 1.00 25.25 H new ATOM 0 HB3 HIS B 73 19.623 13.112 -15.579 1.00 25.25 H new ATOM 0 HD1 HIS B 73 18.817 14.772 -13.836 1.00 70.54 H new ATOM 0 HD2 HIS B 73 22.200 12.627 -12.601 1.00 42.21 H new ATOM 0 HE1 HIS B 73 19.641 15.892 -11.716 1.00 71.31 H new ATOM 2450 N HIS B 74 21.356 9.671 -14.831 1.00 11.53 N ATOM 2451 CA HIS B 74 22.405 8.699 -14.465 1.00 2.34 C ATOM 2452 C HIS B 74 23.309 9.248 -13.325 1.00 51.43 C ATOM 2453 O HIS B 74 24.046 10.223 -13.512 1.00 71.05 O ATOM 2454 CB HIS B 74 23.233 8.349 -15.732 1.00 23.25 C ATOM 2455 CG HIS B 74 24.319 7.314 -15.547 1.00 4.53 C ATOM 2456 ND1 HIS B 74 25.477 7.312 -16.297 1.00 42.30 N ATOM 2457 CD2 HIS B 74 24.402 6.219 -14.745 1.00 22.32 C ATOM 2458 CE1 HIS B 74 26.215 6.274 -15.974 1.00 35.25 C ATOM 2459 NE2 HIS B 74 25.591 5.595 -15.036 1.00 14.34 N ATOM 0 H HIS B 74 21.393 9.951 -15.811 1.00 11.53 H new ATOM 0 HA HIS B 74 21.939 7.791 -14.083 1.00 2.34 H new ATOM 0 HB2 HIS B 74 22.549 7.995 -16.503 1.00 23.25 H new ATOM 0 HB3 HIS B 74 23.691 9.264 -16.107 1.00 23.25 H new ATOM 0 HD2 HIS B 74 23.671 5.900 -14.017 1.00 22.32 H new ATOM 0 HE1 HIS B 74 27.172 6.021 -16.406 1.00 35.25 H new ATOM 0 HE2 HIS B 74 25.935 4.742 -14.595 1.00 14.34 H new ATOM 2468 N HIS B 75 23.209 8.622 -12.140 1.00 51.25 N ATOM 2469 CA HIS B 75 23.991 9.008 -10.950 1.00 23.14 C ATOM 2470 C HIS B 75 25.399 8.354 -11.001 1.00 40.20 C ATOM 2471 O HIS B 75 25.608 7.246 -10.487 1.00 2.20 O ATOM 2472 CB HIS B 75 23.224 8.606 -9.659 1.00 1.41 C ATOM 2473 CG HIS B 75 21.788 9.070 -9.632 1.00 34.13 C ATOM 2474 ND1 HIS B 75 20.717 8.214 -9.805 1.00 74.10 N ATOM 2475 CD2 HIS B 75 21.246 10.301 -9.458 1.00 63.12 C ATOM 2476 CE1 HIS B 75 19.591 8.892 -9.738 1.00 72.34 C ATOM 2477 NE2 HIS B 75 19.881 10.157 -9.528 1.00 54.15 N ATOM 0 H HIS B 75 22.583 7.833 -11.979 1.00 51.25 H new ATOM 0 HA HIS B 75 24.125 10.090 -10.940 1.00 23.14 H new ATOM 0 HB2 HIS B 75 23.247 7.521 -9.557 1.00 1.41 H new ATOM 0 HB3 HIS B 75 23.745 9.018 -8.795 1.00 1.41 H new ATOM 0 HD2 HIS B 75 21.786 11.222 -9.295 1.00 63.12 H new ATOM 0 HE1 HIS B 75 18.598 8.479 -9.838 1.00 72.34 H new ATOM 0 HE2 HIS B 75 19.201 10.911 -9.432 1.00 54.15 H new ATOM 2486 N HIS B 76 26.336 9.030 -11.700 1.00 33.44 N ATOM 2487 CA HIS B 76 27.734 8.567 -11.856 1.00 70.52 C ATOM 2488 C HIS B 76 28.636 9.741 -12.298 1.00 12.13 C ATOM 2489 O HIS B 76 28.243 10.545 -13.154 1.00 34.02 O ATOM 2490 CB HIS B 76 27.818 7.399 -12.879 1.00 31.22 C ATOM 2491 CG HIS B 76 29.183 6.763 -13.000 1.00 5.55 C ATOM 2492 ND1 HIS B 76 30.138 7.184 -13.905 1.00 75.22 N ATOM 2493 CD2 HIS B 76 29.749 5.736 -12.320 1.00 65.00 C ATOM 2494 CE1 HIS B 76 31.224 6.448 -13.775 1.00 44.35 C ATOM 2495 NE2 HIS B 76 31.015 5.566 -12.823 1.00 40.54 N ATOM 0 H HIS B 76 26.145 9.913 -12.173 1.00 33.44 H new ATOM 0 HA HIS B 76 28.086 8.198 -10.893 1.00 70.52 H new ATOM 0 HB2 HIS B 76 27.099 6.632 -12.594 1.00 31.22 H new ATOM 0 HB3 HIS B 76 27.517 7.770 -13.859 1.00 31.22 H new ATOM 0 HD2 HIS B 76 29.290 5.160 -11.530 1.00 65.00 H new ATOM 0 HE1 HIS B 76 32.131 6.552 -14.352 1.00 44.35 H new ATOM 0 HE2 HIS B 76 31.687 4.866 -12.508 1.00 40.54 H new ATOM 2504 N HIS B 77 29.836 9.841 -11.697 1.00 64.04 N ATOM 2505 CA HIS B 77 30.835 10.883 -12.038 1.00 43.45 C ATOM 2506 C HIS B 77 32.205 10.248 -12.326 1.00 63.02 C ATOM 2507 O HIS B 77 32.349 9.437 -13.247 1.00 63.12 O ATOM 2508 CB HIS B 77 30.951 11.913 -10.886 1.00 3.21 C ATOM 2509 CG HIS B 77 29.646 12.589 -10.547 1.00 44.45 C ATOM 2510 ND1 HIS B 77 28.877 12.237 -9.458 1.00 1.02 N ATOM 2511 CD2 HIS B 77 28.967 13.584 -11.170 1.00 52.34 C ATOM 2512 CE1 HIS B 77 27.791 12.979 -9.427 1.00 2.35 C ATOM 2513 NE2 HIS B 77 27.818 13.805 -10.451 1.00 42.14 N ATOM 0 H HIS B 77 30.145 9.205 -10.962 1.00 64.04 H new ATOM 0 HA HIS B 77 30.500 11.399 -12.938 1.00 43.45 H new ATOM 0 HB2 HIS B 77 31.332 11.410 -9.997 1.00 3.21 H new ATOM 0 HB3 HIS B 77 31.683 12.672 -11.161 1.00 3.21 H new ATOM 0 HD2 HIS B 77 29.273 14.105 -12.065 1.00 52.34 H new ATOM 0 HE1 HIS B 77 27.008 12.920 -8.685 1.00 2.35 H new ATOM 0 HE2 HIS B 77 27.102 14.497 -10.674 1.00 42.14 H new TER 2522 HIS B 77