USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 90 ASN : amide:sc= -0.651 X(o=-0.35,f=-0.28) USER MOD Set 1.2: A 94 HIS : no HE2:sc= 0.299 K(o=-0.35,f=-3.4) USER MOD Set 2.1: A 52 GLN : amide:sc= -4.41! K(o=-4.8!,f=-2.9) USER MOD Set 2.2: A 88 MET CE :methyl -137:sc= -0.411 (180deg=-4.1!) USER MOD Set 3.1: A 43 ASN : amide:sc= 1.08 K(o=1.7,f=-0.74) USER MOD Set 3.2: A 58 TYR OH : rot 5:sc= 0.622 USER MOD Set 4.1: A 18 ASN : amide:sc= 0.429 K(o=-0.41,f=-2.4) USER MOD Set 4.2: A 21 GLN : amide:sc= -0.841 X(o=-0.41,f=-0.079) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.0805 (180deg=-0.0935) USER MOD Single : A 3 GLN : amide:sc= 0.119 K(o=0.12,f=-2.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 2.51 (180deg=2.37) USER MOD Single : A 12 ASN : amide:sc= 0.148 K(o=0.15,f=-1.1) USER MOD Single : A 13 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.292 X(o=0.29,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -169:sc= -0.16 (180deg=-0.386) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0294 (180deg=-0.238) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0239 (180deg=-0.216) USER MOD Single : A 56 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -0.0277 K(o=-0.028,f=-0.59) USER MOD Single : A 59 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.5) USER MOD Single : A 60 SER OG : rot 68:sc= 0.141 USER MOD Single : A 65 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.2) USER MOD Single : A 68 SER OG : rot -107:sc= 1.18 USER MOD Single : A 72 GLN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc=-0.00556 (180deg=-0.119) USER MOD Single : A 76 MET CE :methyl -110:sc= -1.61 (180deg=-4.45!) USER MOD Single : A 78 MET CE :methyl -164:sc= -1.26 (180deg=-1.41) USER MOD Single : A 82 ASN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.32 K(o=-1.3,f=-6.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.62 K(o=-2.6,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 97 HIS : no HE2:sc= 0.529 K(o=0.53,f=-1.8!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=-0.0071) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.395 12.721 15.090 1.00 61.02 N ATOM 2 CA MET A 1 -4.923 12.799 14.939 1.00 1.11 C ATOM 3 C MET A 1 -4.447 11.939 13.766 1.00 20.42 C ATOM 4 O MET A 1 -3.304 12.061 13.322 1.00 31.13 O ATOM 5 CB MET A 1 -4.241 12.342 16.238 1.00 41.22 C ATOM 6 CG MET A 1 -2.721 12.333 16.175 1.00 51.51 C ATOM 7 SD MET A 1 -2.024 13.958 15.825 1.00 41.04 S ATOM 8 CE MET A 1 -0.289 13.543 15.647 1.00 11.11 C ATOM 0 H1 MET A 1 -6.697 13.339 15.870 1.00 61.02 H new ATOM 0 H2 MET A 1 -6.851 13.029 14.208 1.00 61.02 H new ATOM 0 H3 MET A 1 -6.671 11.740 15.298 1.00 61.02 H new ATOM 0 HA MET A 1 -4.652 13.835 14.734 1.00 1.11 H new ATOM 0 HB2 MET A 1 -4.556 12.997 17.050 1.00 41.22 H new ATOM 0 HB3 MET A 1 -4.589 11.339 16.484 1.00 41.22 H new ATOM 0 HG2 MET A 1 -2.325 11.970 17.124 1.00 51.51 H new ATOM 0 HG3 MET A 1 -2.398 11.631 15.406 1.00 51.51 H new ATOM 0 HE1 MET A 1 0.280 14.446 15.427 1.00 11.11 H new ATOM 0 HE2 MET A 1 0.076 13.100 16.574 1.00 11.11 H new ATOM 0 HE3 MET A 1 -0.167 12.830 14.832 1.00 11.11 H new ATOM 20 N ASP A 2 -5.329 11.084 13.252 1.00 0.24 N ATOM 21 CA ASP A 2 -4.954 10.128 12.213 1.00 43.52 C ATOM 22 C ASP A 2 -4.606 10.840 10.909 1.00 34.03 C ATOM 23 O ASP A 2 -5.491 11.225 10.143 1.00 62.04 O ATOM 24 CB ASP A 2 -6.084 9.118 11.982 1.00 33.11 C ATOM 25 CG ASP A 2 -5.625 7.897 11.208 1.00 34.43 C ATOM 26 OD1 ASP A 2 -4.842 7.101 11.768 1.00 50.44 O ATOM 27 OD2 ASP A 2 -6.057 7.711 10.054 1.00 60.02 O ATOM 0 H ASP A 2 -6.307 11.034 13.538 1.00 0.24 H new ATOM 0 HA ASP A 2 -4.067 9.593 12.553 1.00 43.52 H new ATOM 0 HB2 ASP A 2 -6.487 8.803 12.944 1.00 33.11 H new ATOM 0 HB3 ASP A 2 -6.895 9.604 11.440 1.00 33.11 H new ATOM 32 N GLN A 3 -3.311 11.020 10.669 1.00 40.32 N ATOM 33 CA GLN A 3 -2.833 11.692 9.468 1.00 15.20 C ATOM 34 C GLN A 3 -3.156 10.832 8.257 1.00 52.33 C ATOM 35 O GLN A 3 -3.543 11.337 7.202 1.00 23.11 O ATOM 36 CB GLN A 3 -1.321 11.951 9.583 1.00 51.21 C ATOM 37 CG GLN A 3 -0.754 12.926 8.556 1.00 71.21 C ATOM 38 CD GLN A 3 -0.292 12.257 7.273 1.00 74.23 C ATOM 39 OE1 GLN A 3 -1.048 12.126 6.317 1.00 62.12 O ATOM 40 NE2 GLN A 3 0.962 11.827 7.248 1.00 65.32 N ATOM 0 H GLN A 3 -2.570 10.707 11.296 1.00 40.32 H new ATOM 0 HA GLN A 3 -3.329 12.656 9.353 1.00 15.20 H new ATOM 0 HB2 GLN A 3 -1.108 12.334 10.581 1.00 51.21 H new ATOM 0 HB3 GLN A 3 -0.796 11.000 9.487 1.00 51.21 H new ATOM 0 HG2 GLN A 3 -1.514 13.669 8.315 1.00 71.21 H new ATOM 0 HG3 GLN A 3 0.086 13.461 9.000 1.00 71.21 H new ATOM 0 HE21 GLN A 3 1.561 11.954 8.064 1.00 65.32 H new ATOM 0 HE22 GLN A 3 1.328 11.369 6.413 1.00 65.32 H new ATOM 49 N LEU A 4 -3.052 9.521 8.450 1.00 42.10 N ATOM 50 CA LEU A 4 -3.344 8.552 7.405 1.00 51.21 C ATOM 51 C LEU A 4 -4.773 8.708 6.889 1.00 11.21 C ATOM 52 O LEU A 4 -5.059 8.364 5.747 1.00 1.51 O ATOM 53 CB LEU A 4 -3.124 7.131 7.929 1.00 31.12 C ATOM 54 CG LEU A 4 -1.687 6.804 8.343 1.00 40.52 C ATOM 55 CD1 LEU A 4 -1.614 5.419 8.961 1.00 41.21 C ATOM 56 CD2 LEU A 4 -0.754 6.896 7.149 1.00 34.32 C ATOM 0 H LEU A 4 -2.763 9.103 9.335 1.00 42.10 H new ATOM 0 HA LEU A 4 -2.664 8.736 6.573 1.00 51.21 H new ATOM 0 HB2 LEU A 4 -3.777 6.972 8.787 1.00 31.12 H new ATOM 0 HB3 LEU A 4 -3.433 6.425 7.158 1.00 31.12 H new ATOM 0 HG LEU A 4 -1.371 7.535 9.087 1.00 40.52 H new ATOM 0 HD11 LEU A 4 -0.585 5.203 9.249 1.00 41.21 H new ATOM 0 HD12 LEU A 4 -2.254 5.380 9.843 1.00 41.21 H new ATOM 0 HD13 LEU A 4 -1.950 4.679 8.235 1.00 41.21 H new ATOM 0 HD21 LEU A 4 0.263 6.660 7.463 1.00 34.32 H new ATOM 0 HD22 LEU A 4 -1.071 6.187 6.384 1.00 34.32 H new ATOM 0 HD23 LEU A 4 -0.783 7.907 6.742 1.00 34.32 H new ATOM 68 N LYS A 5 -5.665 9.229 7.733 1.00 30.23 N ATOM 69 CA LYS A 5 -7.057 9.445 7.351 1.00 51.12 C ATOM 70 C LYS A 5 -7.139 10.348 6.129 1.00 52.31 C ATOM 71 O LYS A 5 -7.936 10.110 5.225 1.00 62.43 O ATOM 72 CB LYS A 5 -7.839 10.069 8.508 1.00 23.22 C ATOM 73 CG LYS A 5 -9.336 10.147 8.259 1.00 23.45 C ATOM 74 CD LYS A 5 -10.046 10.930 9.352 1.00 32.35 C ATOM 75 CE LYS A 5 -9.690 10.414 10.738 1.00 10.14 C ATOM 76 NZ LYS A 5 -10.446 11.119 11.806 1.00 34.13 N ATOM 0 H LYS A 5 -5.445 9.509 8.689 1.00 30.23 H new ATOM 0 HA LYS A 5 -7.497 8.478 7.107 1.00 51.12 H new ATOM 0 HB2 LYS A 5 -7.659 9.487 9.412 1.00 23.22 H new ATOM 0 HB3 LYS A 5 -7.457 11.073 8.694 1.00 23.22 H new ATOM 0 HG2 LYS A 5 -9.521 10.619 7.294 1.00 23.45 H new ATOM 0 HG3 LYS A 5 -9.749 9.140 8.205 1.00 23.45 H new ATOM 0 HD2 LYS A 5 -9.778 11.984 9.277 1.00 32.35 H new ATOM 0 HD3 LYS A 5 -11.124 10.864 9.205 1.00 32.35 H new ATOM 0 HE2 LYS A 5 -9.898 9.345 10.791 1.00 10.14 H new ATOM 0 HE3 LYS A 5 -8.621 10.539 10.908 1.00 10.14 H new ATOM 0 HZ1 LYS A 5 -10.174 10.737 12.734 1.00 34.13 H new ATOM 0 HZ2 LYS A 5 -10.228 12.135 11.772 1.00 34.13 H new ATOM 0 HZ3 LYS A 5 -11.466 10.979 11.660 1.00 34.13 H new ATOM 90 N THR A 6 -6.300 11.377 6.114 1.00 63.03 N ATOM 91 CA THR A 6 -6.205 12.274 4.974 1.00 60.01 C ATOM 92 C THR A 6 -5.878 11.477 3.717 1.00 72.41 C ATOM 93 O THR A 6 -6.527 11.617 2.683 1.00 15.23 O ATOM 94 CB THR A 6 -5.108 13.331 5.204 1.00 21.40 C ATOM 95 OG1 THR A 6 -5.317 13.991 6.462 1.00 55.23 O ATOM 96 CG2 THR A 6 -5.090 14.357 4.080 1.00 23.02 C ATOM 0 H THR A 6 -5.673 11.610 6.884 1.00 63.03 H new ATOM 0 HA THR A 6 -7.163 12.779 4.853 1.00 60.01 H new ATOM 0 HB THR A 6 -4.145 12.821 5.217 1.00 21.40 H new ATOM 0 HG1 THR A 6 -4.614 14.660 6.601 1.00 55.23 H new ATOM 0 HG21 THR A 6 -4.306 15.090 4.269 1.00 23.02 H new ATOM 0 HG22 THR A 6 -4.896 13.855 3.132 1.00 23.02 H new ATOM 0 HG23 THR A 6 -6.055 14.862 4.033 1.00 23.02 H new ATOM 104 N ILE A 7 -4.882 10.615 3.846 1.00 2.21 N ATOM 105 CA ILE A 7 -4.431 9.757 2.763 1.00 4.41 C ATOM 106 C ILE A 7 -5.540 8.809 2.316 1.00 53.04 C ATOM 107 O ILE A 7 -5.770 8.627 1.120 1.00 54.25 O ATOM 108 CB ILE A 7 -3.209 8.949 3.231 1.00 40.14 C ATOM 109 CG1 ILE A 7 -2.103 9.914 3.655 1.00 0.31 C ATOM 110 CG2 ILE A 7 -2.723 8.011 2.138 1.00 20.22 C ATOM 111 CD1 ILE A 7 -1.029 9.283 4.506 1.00 11.35 C ATOM 0 H ILE A 7 -4.360 10.490 4.713 1.00 2.21 H new ATOM 0 HA ILE A 7 -4.158 10.382 1.913 1.00 4.41 H new ATOM 0 HB ILE A 7 -3.494 8.332 4.083 1.00 40.14 H new ATOM 0 HG12 ILE A 7 -1.643 10.337 2.762 1.00 0.31 H new ATOM 0 HG13 ILE A 7 -2.549 10.742 4.206 1.00 0.31 H new ATOM 0 HG21 ILE A 7 -1.858 7.452 2.496 1.00 20.22 H new ATOM 0 HG22 ILE A 7 -3.520 7.316 1.874 1.00 20.22 H new ATOM 0 HG23 ILE A 7 -2.442 8.591 1.259 1.00 20.22 H new ATOM 0 HD11 ILE A 7 -0.282 10.033 4.765 1.00 11.35 H new ATOM 0 HD12 ILE A 7 -1.474 8.885 5.418 1.00 11.35 H new ATOM 0 HD13 ILE A 7 -0.554 8.474 3.951 1.00 11.35 H new ATOM 123 N LYS A 8 -6.226 8.223 3.289 1.00 23.23 N ATOM 124 CA LYS A 8 -7.345 7.325 3.024 1.00 63.43 C ATOM 125 C LYS A 8 -8.410 8.031 2.189 1.00 25.52 C ATOM 126 O LYS A 8 -8.869 7.502 1.177 1.00 63.22 O ATOM 127 CB LYS A 8 -7.934 6.829 4.348 1.00 44.31 C ATOM 128 CG LYS A 8 -6.950 6.000 5.161 1.00 0.54 C ATOM 129 CD LYS A 8 -7.325 5.929 6.634 1.00 65.41 C ATOM 130 CE LYS A 8 -6.237 5.225 7.435 1.00 62.21 C ATOM 131 NZ LYS A 8 -6.465 5.301 8.903 1.00 45.14 N ATOM 0 H LYS A 8 -6.024 8.355 4.280 1.00 23.23 H new ATOM 0 HA LYS A 8 -6.986 6.467 2.456 1.00 63.43 H new ATOM 0 HB2 LYS A 8 -8.256 7.686 4.940 1.00 44.31 H new ATOM 0 HB3 LYS A 8 -8.822 6.231 4.143 1.00 44.31 H new ATOM 0 HG2 LYS A 8 -6.905 4.991 4.752 1.00 0.54 H new ATOM 0 HG3 LYS A 8 -5.952 6.428 5.064 1.00 0.54 H new ATOM 0 HD2 LYS A 8 -7.477 6.935 7.024 1.00 65.41 H new ATOM 0 HD3 LYS A 8 -8.269 5.397 6.748 1.00 65.41 H new ATOM 0 HE2 LYS A 8 -6.188 4.179 7.133 1.00 62.21 H new ATOM 0 HE3 LYS A 8 -5.271 5.671 7.198 1.00 62.21 H new ATOM 0 HZ1 LYS A 8 -5.647 4.897 9.403 1.00 45.14 H new ATOM 0 HZ2 LYS A 8 -6.586 6.295 9.184 1.00 45.14 H new ATOM 0 HZ3 LYS A 8 -7.321 4.764 9.150 1.00 45.14 H new ATOM 145 N GLU A 9 -8.766 9.243 2.597 1.00 72.42 N ATOM 146 CA GLU A 9 -9.749 10.034 1.869 1.00 12.23 C ATOM 147 C GLU A 9 -9.218 10.444 0.501 1.00 41.32 C ATOM 148 O GLU A 9 -9.960 10.461 -0.477 1.00 0.52 O ATOM 149 CB GLU A 9 -10.147 11.273 2.669 1.00 34.51 C ATOM 150 CG GLU A 9 -10.882 10.949 3.959 1.00 43.20 C ATOM 151 CD GLU A 9 -12.169 10.186 3.721 1.00 25.32 C ATOM 152 OE1 GLU A 9 -12.131 8.941 3.648 1.00 70.01 O ATOM 153 OE2 GLU A 9 -13.236 10.831 3.616 1.00 3.01 O ATOM 0 H GLU A 9 -8.389 9.699 3.428 1.00 72.42 H new ATOM 0 HA GLU A 9 -10.632 9.412 1.724 1.00 12.23 H new ATOM 0 HB2 GLU A 9 -9.251 11.847 2.905 1.00 34.51 H new ATOM 0 HB3 GLU A 9 -10.779 11.909 2.049 1.00 34.51 H new ATOM 0 HG2 GLU A 9 -10.230 10.362 4.606 1.00 43.20 H new ATOM 0 HG3 GLU A 9 -11.106 11.876 4.488 1.00 43.20 H new ATOM 160 N LEU A 10 -7.935 10.773 0.433 1.00 10.31 N ATOM 161 CA LEU A 10 -7.307 11.149 -0.829 1.00 13.42 C ATOM 162 C LEU A 10 -7.412 10.017 -1.842 1.00 2.42 C ATOM 163 O LEU A 10 -7.777 10.243 -2.994 1.00 31.00 O ATOM 164 CB LEU A 10 -5.842 11.530 -0.610 1.00 14.35 C ATOM 165 CG LEU A 10 -5.621 12.841 0.149 1.00 30.54 C ATOM 166 CD1 LEU A 10 -4.149 13.027 0.476 1.00 20.13 C ATOM 167 CD2 LEU A 10 -6.139 14.018 -0.663 1.00 42.24 C ATOM 0 H LEU A 10 -7.307 10.787 1.237 1.00 10.31 H new ATOM 0 HA LEU A 10 -7.836 12.016 -1.225 1.00 13.42 H new ATOM 0 HB2 LEU A 10 -5.350 10.725 -0.064 1.00 14.35 H new ATOM 0 HB3 LEU A 10 -5.352 11.603 -1.581 1.00 14.35 H new ATOM 0 HG LEU A 10 -6.177 12.795 1.085 1.00 30.54 H new ATOM 0 HD11 LEU A 10 -4.012 13.964 1.015 1.00 20.13 H new ATOM 0 HD12 LEU A 10 -3.806 12.198 1.095 1.00 20.13 H new ATOM 0 HD13 LEU A 10 -3.571 13.052 -0.448 1.00 20.13 H new ATOM 0 HD21 LEU A 10 -5.974 14.942 -0.109 1.00 42.24 H new ATOM 0 HD22 LEU A 10 -5.609 14.065 -1.614 1.00 42.24 H new ATOM 0 HD23 LEU A 10 -7.206 13.891 -0.848 1.00 42.24 H new ATOM 179 N ILE A 11 -7.119 8.799 -1.402 1.00 71.12 N ATOM 180 CA ILE A 11 -7.219 7.625 -2.262 1.00 34.22 C ATOM 181 C ILE A 11 -8.672 7.383 -2.672 1.00 2.41 C ATOM 182 O ILE A 11 -8.953 7.048 -3.826 1.00 44.32 O ATOM 183 CB ILE A 11 -6.648 6.371 -1.560 1.00 2.15 C ATOM 184 CG1 ILE A 11 -5.155 6.560 -1.295 1.00 24.51 C ATOM 185 CG2 ILE A 11 -6.884 5.123 -2.402 1.00 33.30 C ATOM 186 CD1 ILE A 11 -4.552 5.495 -0.404 1.00 10.02 C ATOM 0 H ILE A 11 -6.809 8.598 -0.451 1.00 71.12 H new ATOM 0 HA ILE A 11 -6.627 7.815 -3.157 1.00 34.22 H new ATOM 0 HB ILE A 11 -7.165 6.239 -0.609 1.00 2.15 H new ATOM 0 HG12 ILE A 11 -4.625 6.567 -2.247 1.00 24.51 H new ATOM 0 HG13 ILE A 11 -4.998 7.536 -0.836 1.00 24.51 H new ATOM 0 HG21 ILE A 11 -6.474 4.254 -1.888 1.00 33.30 H new ATOM 0 HG22 ILE A 11 -7.954 4.983 -2.553 1.00 33.30 H new ATOM 0 HG23 ILE A 11 -6.393 5.238 -3.368 1.00 33.30 H new ATOM 0 HD11 ILE A 11 -3.490 5.697 -0.262 1.00 10.02 H new ATOM 0 HD12 ILE A 11 -5.055 5.502 0.563 1.00 10.02 H new ATOM 0 HD13 ILE A 11 -4.676 4.518 -0.870 1.00 10.02 H new ATOM 198 N ASN A 12 -9.589 7.572 -1.726 1.00 51.32 N ATOM 199 CA ASN A 12 -11.021 7.453 -2.002 1.00 63.52 C ATOM 200 C ASN A 12 -11.445 8.431 -3.095 1.00 70.30 C ATOM 201 O ASN A 12 -12.198 8.076 -4.004 1.00 51.05 O ATOM 202 CB ASN A 12 -11.850 7.708 -0.734 1.00 3.30 C ATOM 203 CG ASN A 12 -11.799 6.553 0.250 1.00 40.41 C ATOM 204 OD1 ASN A 12 -11.660 5.396 -0.143 1.00 11.12 O ATOM 205 ND2 ASN A 12 -11.915 6.857 1.535 1.00 32.01 N ATOM 0 H ASN A 12 -9.366 7.809 -0.759 1.00 51.32 H new ATOM 0 HA ASN A 12 -11.206 6.435 -2.344 1.00 63.52 H new ATOM 0 HB2 ASN A 12 -11.487 8.612 -0.244 1.00 3.30 H new ATOM 0 HB3 ASN A 12 -12.887 7.893 -1.015 1.00 3.30 H new ATOM 0 HD21 ASN A 12 -11.890 6.118 2.238 1.00 32.01 H new ATOM 0 HD22 ASN A 12 -12.029 7.830 1.821 1.00 32.01 H new ATOM 212 N GLN A 13 -10.944 9.657 -3.002 1.00 44.31 N ATOM 213 CA GLN A 13 -11.236 10.690 -3.990 1.00 14.13 C ATOM 214 C GLN A 13 -10.541 10.386 -5.311 1.00 52.31 C ATOM 215 O GLN A 13 -11.153 10.445 -6.375 1.00 72.43 O ATOM 216 CB GLN A 13 -10.789 12.057 -3.474 1.00 60.33 C ATOM 217 CG GLN A 13 -11.478 12.471 -2.188 1.00 2.33 C ATOM 218 CD GLN A 13 -10.947 13.775 -1.637 1.00 34.54 C ATOM 219 OE1 GLN A 13 -11.436 14.854 -1.973 1.00 60.30 O ATOM 220 NE2 GLN A 13 -9.947 13.683 -0.778 1.00 34.54 N ATOM 0 H GLN A 13 -10.329 9.962 -2.247 1.00 44.31 H new ATOM 0 HA GLN A 13 -12.313 10.705 -4.158 1.00 14.13 H new ATOM 0 HB2 GLN A 13 -9.711 12.041 -3.311 1.00 60.33 H new ATOM 0 HB3 GLN A 13 -10.984 12.808 -4.240 1.00 60.33 H new ATOM 0 HG2 GLN A 13 -12.549 12.566 -2.368 1.00 2.33 H new ATOM 0 HG3 GLN A 13 -11.349 11.687 -1.442 1.00 2.33 H new ATOM 0 HE21 GLN A 13 -9.572 12.768 -0.528 1.00 34.54 H new ATOM 0 HE22 GLN A 13 -9.550 14.527 -0.365 1.00 34.54 H new ATOM 229 N GLY A 14 -9.264 10.054 -5.232 1.00 23.35 N ATOM 230 CA GLY A 14 -8.502 9.760 -6.425 1.00 14.11 C ATOM 231 C GLY A 14 -7.190 10.515 -6.476 1.00 23.22 C ATOM 232 O GLY A 14 -6.501 10.500 -7.492 1.00 71.54 O ATOM 0 H GLY A 14 -8.740 9.983 -4.360 1.00 23.35 H new ATOM 0 HA2 GLY A 14 -8.303 8.689 -6.471 1.00 14.11 H new ATOM 0 HA3 GLY A 14 -9.097 10.012 -7.303 1.00 14.11 H new ATOM 236 N ASP A 15 -6.839 11.175 -5.380 1.00 55.11 N ATOM 237 CA ASP A 15 -5.585 11.914 -5.315 1.00 22.12 C ATOM 238 C ASP A 15 -4.496 11.028 -4.721 1.00 32.41 C ATOM 239 O ASP A 15 -4.170 11.116 -3.533 1.00 54.24 O ATOM 240 CB ASP A 15 -5.736 13.190 -4.487 1.00 60.03 C ATOM 241 CG ASP A 15 -4.604 14.174 -4.723 1.00 71.11 C ATOM 242 OD1 ASP A 15 -3.438 13.744 -4.857 1.00 53.13 O ATOM 243 OD2 ASP A 15 -4.881 15.394 -4.793 1.00 35.24 O ATOM 0 H ASP A 15 -7.401 11.214 -4.529 1.00 55.11 H new ATOM 0 HA ASP A 15 -5.305 12.204 -6.328 1.00 22.12 H new ATOM 0 HB2 ASP A 15 -6.685 13.668 -4.731 1.00 60.03 H new ATOM 0 HB3 ASP A 15 -5.773 12.930 -3.429 1.00 60.03 H new ATOM 248 N ILE A 16 -3.966 10.147 -5.551 1.00 22.22 N ATOM 249 CA ILE A 16 -2.959 9.192 -5.124 1.00 15.30 C ATOM 250 C ILE A 16 -1.633 9.884 -4.813 1.00 4.21 C ATOM 251 O ILE A 16 -0.938 9.504 -3.873 1.00 13.31 O ATOM 252 CB ILE A 16 -2.762 8.085 -6.197 1.00 31.22 C ATOM 253 CG1 ILE A 16 -3.828 6.989 -6.050 1.00 2.31 C ATOM 254 CG2 ILE A 16 -1.370 7.472 -6.116 1.00 5.44 C ATOM 255 CD1 ILE A 16 -5.256 7.449 -6.255 1.00 14.34 C ATOM 0 H ILE A 16 -4.220 10.073 -6.536 1.00 22.22 H new ATOM 0 HA ILE A 16 -3.313 8.724 -4.206 1.00 15.30 H new ATOM 0 HB ILE A 16 -2.870 8.555 -7.174 1.00 31.22 H new ATOM 0 HG12 ILE A 16 -3.612 6.196 -6.766 1.00 2.31 H new ATOM 0 HG13 ILE A 16 -3.743 6.552 -5.055 1.00 2.31 H new ATOM 0 HG21 ILE A 16 -1.267 6.702 -6.880 1.00 5.44 H new ATOM 0 HG22 ILE A 16 -0.621 8.247 -6.278 1.00 5.44 H new ATOM 0 HG23 ILE A 16 -1.225 7.028 -5.131 1.00 5.44 H new ATOM 0 HD11 ILE A 16 -5.932 6.603 -6.130 1.00 14.34 H new ATOM 0 HD12 ILE A 16 -5.499 8.219 -5.523 1.00 14.34 H new ATOM 0 HD13 ILE A 16 -5.366 7.857 -7.260 1.00 14.34 H new ATOM 267 N GLU A 17 -1.299 10.916 -5.578 1.00 34.34 N ATOM 268 CA GLU A 17 -0.034 11.624 -5.389 1.00 23.44 C ATOM 269 C GLU A 17 0.058 12.272 -4.014 1.00 11.34 C ATOM 270 O GLU A 17 1.066 12.123 -3.322 1.00 42.51 O ATOM 271 CB GLU A 17 0.175 12.678 -6.470 1.00 65.23 C ATOM 272 CG GLU A 17 0.602 12.094 -7.801 1.00 55.35 C ATOM 273 CD GLU A 17 1.088 13.157 -8.757 1.00 22.11 C ATOM 274 OE1 GLU A 17 2.045 13.882 -8.406 1.00 11.11 O ATOM 275 OE2 GLU A 17 0.510 13.283 -9.854 1.00 34.55 O ATOM 0 H GLU A 17 -1.881 11.282 -6.332 1.00 34.34 H new ATOM 0 HA GLU A 17 0.755 10.876 -5.465 1.00 23.44 H new ATOM 0 HB2 GLU A 17 -0.751 13.237 -6.607 1.00 65.23 H new ATOM 0 HB3 GLU A 17 0.930 13.389 -6.134 1.00 65.23 H new ATOM 0 HG2 GLU A 17 1.394 11.363 -7.639 1.00 55.35 H new ATOM 0 HG3 GLU A 17 -0.237 11.561 -8.248 1.00 55.35 H new ATOM 282 N ASN A 18 -0.987 12.991 -3.616 1.00 33.31 N ATOM 283 CA ASN A 18 -1.005 13.616 -2.299 1.00 62.35 C ATOM 284 C ASN A 18 -1.044 12.559 -1.211 1.00 22.13 C ATOM 285 O ASN A 18 -0.477 12.741 -0.134 1.00 62.13 O ATOM 286 CB ASN A 18 -2.191 14.569 -2.152 1.00 3.32 C ATOM 287 CG ASN A 18 -1.894 15.958 -2.683 1.00 61.02 C ATOM 288 OD1 ASN A 18 -0.781 16.467 -2.558 1.00 22.41 O ATOM 289 ND2 ASN A 18 -2.885 16.578 -3.299 1.00 3.22 N ATOM 0 H ASN A 18 -1.822 13.154 -4.179 1.00 33.31 H new ATOM 0 HA ASN A 18 -0.089 14.198 -2.194 1.00 62.35 H new ATOM 0 HB2 ASN A 18 -3.050 14.158 -2.682 1.00 3.32 H new ATOM 0 HB3 ASN A 18 -2.468 14.638 -1.100 1.00 3.32 H new ATOM 0 HD21 ASN A 18 -2.740 17.509 -3.689 1.00 3.22 H new ATOM 0 HD22 ASN A 18 -3.795 16.125 -3.384 1.00 3.22 H new ATOM 296 N ALA A 19 -1.709 11.450 -1.501 1.00 14.21 N ATOM 297 CA ALA A 19 -1.741 10.326 -0.583 1.00 73.42 C ATOM 298 C ALA A 19 -0.337 9.761 -0.371 1.00 55.32 C ATOM 299 O ALA A 19 0.111 9.593 0.763 1.00 43.41 O ATOM 300 CB ALA A 19 -2.678 9.250 -1.110 1.00 52.31 C ATOM 0 H ALA A 19 -2.233 11.307 -2.365 1.00 14.21 H new ATOM 0 HA ALA A 19 -2.113 10.673 0.381 1.00 73.42 H new ATOM 0 HB1 ALA A 19 -2.696 8.411 -0.415 1.00 52.31 H new ATOM 0 HB2 ALA A 19 -3.683 9.660 -1.210 1.00 52.31 H new ATOM 0 HB3 ALA A 19 -2.328 8.907 -2.084 1.00 52.31 H new ATOM 306 N LEU A 20 0.361 9.499 -1.473 1.00 30.11 N ATOM 307 CA LEU A 20 1.689 8.890 -1.428 1.00 44.31 C ATOM 308 C LEU A 20 2.684 9.742 -0.644 1.00 21.44 C ATOM 309 O LEU A 20 3.389 9.234 0.228 1.00 71.43 O ATOM 310 CB LEU A 20 2.222 8.658 -2.845 1.00 44.21 C ATOM 311 CG LEU A 20 1.488 7.588 -3.653 1.00 44.13 C ATOM 312 CD1 LEU A 20 2.082 7.473 -5.047 1.00 32.33 C ATOM 313 CD2 LEU A 20 1.549 6.247 -2.939 1.00 4.33 C ATOM 0 H LEU A 20 0.026 9.701 -2.415 1.00 30.11 H new ATOM 0 HA LEU A 20 1.583 7.934 -0.914 1.00 44.31 H new ATOM 0 HB2 LEU A 20 2.174 9.600 -3.392 1.00 44.21 H new ATOM 0 HB3 LEU A 20 3.274 8.381 -2.779 1.00 44.21 H new ATOM 0 HG LEU A 20 0.443 7.884 -3.746 1.00 44.13 H new ATOM 0 HD11 LEU A 20 1.547 6.707 -5.608 1.00 32.33 H new ATOM 0 HD12 LEU A 20 1.991 8.430 -5.561 1.00 32.33 H new ATOM 0 HD13 LEU A 20 3.135 7.200 -4.973 1.00 32.33 H new ATOM 0 HD21 LEU A 20 1.022 5.497 -3.528 1.00 4.33 H new ATOM 0 HD22 LEU A 20 2.590 5.947 -2.817 1.00 4.33 H new ATOM 0 HD23 LEU A 20 1.080 6.335 -1.959 1.00 4.33 H new ATOM 325 N GLN A 21 2.733 11.031 -0.950 1.00 74.50 N ATOM 326 CA GLN A 21 3.698 11.923 -0.313 1.00 1.04 C ATOM 327 C GLN A 21 3.437 12.036 1.186 1.00 22.44 C ATOM 328 O GLN A 21 4.373 12.082 1.984 1.00 22.41 O ATOM 329 CB GLN A 21 3.686 13.306 -0.974 1.00 62.52 C ATOM 330 CG GLN A 21 2.343 14.010 -0.929 1.00 72.34 C ATOM 331 CD GLN A 21 2.326 15.264 -1.774 1.00 1.42 C ATOM 332 OE1 GLN A 21 2.628 16.359 -1.297 1.00 51.42 O ATOM 333 NE2 GLN A 21 1.986 15.107 -3.041 1.00 61.03 N ATOM 0 H GLN A 21 2.121 11.482 -1.630 1.00 74.50 H new ATOM 0 HA GLN A 21 4.690 11.491 -0.449 1.00 1.04 H new ATOM 0 HB2 GLN A 21 4.429 13.936 -0.485 1.00 62.52 H new ATOM 0 HB3 GLN A 21 3.993 13.201 -2.015 1.00 62.52 H new ATOM 0 HG2 GLN A 21 1.566 13.329 -1.277 1.00 72.34 H new ATOM 0 HG3 GLN A 21 2.104 14.266 0.103 1.00 72.34 H new ATOM 0 HE21 GLN A 21 1.743 14.181 -3.393 1.00 61.03 H new ATOM 0 HE22 GLN A 21 1.966 15.912 -3.667 1.00 61.03 H new ATOM 342 N ALA A 22 2.165 12.053 1.568 1.00 21.11 N ATOM 343 CA ALA A 22 1.800 12.105 2.976 1.00 60.30 C ATOM 344 C ALA A 22 2.165 10.792 3.666 1.00 74.22 C ATOM 345 O ALA A 22 2.509 10.771 4.852 1.00 5.31 O ATOM 346 CB ALA A 22 0.319 12.406 3.131 1.00 4.04 C ATOM 0 H ALA A 22 1.374 12.032 0.925 1.00 21.11 H new ATOM 0 HA ALA A 22 2.360 12.909 3.453 1.00 60.30 H new ATOM 0 HB1 ALA A 22 0.064 12.441 4.190 1.00 4.04 H new ATOM 0 HB2 ALA A 22 0.093 13.368 2.671 1.00 4.04 H new ATOM 0 HB3 ALA A 22 -0.264 11.625 2.643 1.00 4.04 H new ATOM 352 N LEU A 23 2.083 9.699 2.913 1.00 63.01 N ATOM 353 CA LEU A 23 2.503 8.391 3.402 1.00 33.12 C ATOM 354 C LEU A 23 4.003 8.371 3.652 1.00 33.20 C ATOM 355 O LEU A 23 4.458 7.907 4.696 1.00 40.33 O ATOM 356 CB LEU A 23 2.134 7.297 2.396 1.00 20.30 C ATOM 357 CG LEU A 23 0.642 6.988 2.289 1.00 3.22 C ATOM 358 CD1 LEU A 23 0.346 6.163 1.050 1.00 62.44 C ATOM 359 CD2 LEU A 23 0.166 6.254 3.528 1.00 75.42 C ATOM 0 H LEU A 23 1.727 9.694 1.957 1.00 63.01 H new ATOM 0 HA LEU A 23 1.984 8.199 4.341 1.00 33.12 H new ATOM 0 HB2 LEU A 23 2.499 7.592 1.412 1.00 20.30 H new ATOM 0 HB3 LEU A 23 2.659 6.382 2.670 1.00 20.30 H new ATOM 0 HG LEU A 23 0.106 7.934 2.208 1.00 3.22 H new ATOM 0 HD11 LEU A 23 -0.723 5.957 0.997 1.00 62.44 H new ATOM 0 HD12 LEU A 23 0.653 6.716 0.163 1.00 62.44 H new ATOM 0 HD13 LEU A 23 0.895 5.223 1.099 1.00 62.44 H new ATOM 0 HD21 LEU A 23 -0.899 6.040 3.438 1.00 75.42 H new ATOM 0 HD22 LEU A 23 0.716 5.319 3.631 1.00 75.42 H new ATOM 0 HD23 LEU A 23 0.338 6.875 4.407 1.00 75.42 H new ATOM 371 N GLU A 24 4.762 8.890 2.691 1.00 40.40 N ATOM 372 CA GLU A 24 6.215 8.956 2.796 1.00 14.03 C ATOM 373 C GLU A 24 6.632 9.751 4.032 1.00 12.02 C ATOM 374 O GLU A 24 7.608 9.411 4.699 1.00 43.12 O ATOM 375 CB GLU A 24 6.811 9.589 1.536 1.00 30.51 C ATOM 376 CG GLU A 24 6.579 8.773 0.269 1.00 43.45 C ATOM 377 CD GLU A 24 7.154 9.434 -0.970 1.00 72.42 C ATOM 378 OE1 GLU A 24 8.396 9.546 -1.070 1.00 14.20 O ATOM 379 OE2 GLU A 24 6.372 9.850 -1.849 1.00 3.31 O ATOM 0 H GLU A 24 4.389 9.274 1.823 1.00 40.40 H new ATOM 0 HA GLU A 24 6.597 7.940 2.894 1.00 14.03 H new ATOM 0 HB2 GLU A 24 6.382 10.582 1.401 1.00 30.51 H new ATOM 0 HB3 GLU A 24 7.883 9.722 1.680 1.00 30.51 H new ATOM 0 HG2 GLU A 24 7.027 7.787 0.390 1.00 43.45 H new ATOM 0 HG3 GLU A 24 5.508 8.622 0.131 1.00 43.45 H new ATOM 386 N GLU A 25 5.881 10.803 4.333 1.00 63.54 N ATOM 387 CA GLU A 25 6.123 11.602 5.528 1.00 13.24 C ATOM 388 C GLU A 25 5.833 10.790 6.788 1.00 42.42 C ATOM 389 O GLU A 25 6.626 10.777 7.730 1.00 41.02 O ATOM 390 CB GLU A 25 5.249 12.858 5.518 1.00 33.42 C ATOM 391 CG GLU A 25 5.553 13.817 4.379 1.00 41.13 C ATOM 392 CD GLU A 25 6.968 14.353 4.425 1.00 43.41 C ATOM 393 OE1 GLU A 25 7.371 14.885 5.480 1.00 42.04 O ATOM 394 OE2 GLU A 25 7.675 14.272 3.399 1.00 50.44 O ATOM 0 H GLU A 25 5.097 11.123 3.764 1.00 63.54 H new ATOM 0 HA GLU A 25 7.173 11.895 5.529 1.00 13.24 H new ATOM 0 HB2 GLU A 25 4.203 12.559 5.457 1.00 33.42 H new ATOM 0 HB3 GLU A 25 5.376 13.383 6.465 1.00 33.42 H new ATOM 0 HG2 GLU A 25 5.393 13.308 3.429 1.00 41.13 H new ATOM 0 HG3 GLU A 25 4.852 14.651 4.415 1.00 41.13 H new ATOM 401 N PHE A 26 4.699 10.097 6.787 1.00 4.53 N ATOM 402 CA PHE A 26 4.261 9.326 7.948 1.00 31.14 C ATOM 403 C PHE A 26 5.268 8.230 8.297 1.00 55.33 C ATOM 404 O PHE A 26 5.467 7.909 9.470 1.00 72.33 O ATOM 405 CB PHE A 26 2.881 8.713 7.689 1.00 1.13 C ATOM 406 CG PHE A 26 2.256 8.091 8.907 1.00 3.43 C ATOM 407 CD1 PHE A 26 1.542 8.869 9.804 1.00 50.44 C ATOM 408 CD2 PHE A 26 2.384 6.734 9.159 1.00 24.22 C ATOM 409 CE1 PHE A 26 0.967 8.308 10.926 1.00 71.14 C ATOM 410 CE2 PHE A 26 1.810 6.167 10.281 1.00 51.54 C ATOM 411 CZ PHE A 26 1.102 6.955 11.165 1.00 23.31 C ATOM 0 H PHE A 26 4.063 10.053 5.991 1.00 4.53 H new ATOM 0 HA PHE A 26 4.194 10.006 8.797 1.00 31.14 H new ATOM 0 HB2 PHE A 26 2.216 9.487 7.306 1.00 1.13 H new ATOM 0 HB3 PHE A 26 2.970 7.955 6.911 1.00 1.13 H new ATOM 0 HD1 PHE A 26 1.434 9.928 9.623 1.00 50.44 H new ATOM 0 HD2 PHE A 26 2.938 6.113 8.471 1.00 24.22 H new ATOM 0 HE1 PHE A 26 0.412 8.926 11.616 1.00 71.14 H new ATOM 0 HE2 PHE A 26 1.916 5.108 10.466 1.00 51.54 H new ATOM 0 HZ PHE A 26 0.654 6.514 12.043 1.00 23.31 H new ATOM 421 N LEU A 27 5.916 7.681 7.273 1.00 43.21 N ATOM 422 CA LEU A 27 6.914 6.628 7.457 1.00 11.30 C ATOM 423 C LEU A 27 8.081 7.117 8.312 1.00 33.03 C ATOM 424 O LEU A 27 8.803 6.324 8.914 1.00 40.22 O ATOM 425 CB LEU A 27 7.454 6.161 6.101 1.00 11.41 C ATOM 426 CG LEU A 27 6.407 5.671 5.101 1.00 24.21 C ATOM 427 CD1 LEU A 27 7.073 5.260 3.798 1.00 74.42 C ATOM 428 CD2 LEU A 27 5.610 4.513 5.680 1.00 74.03 C ATOM 0 H LEU A 27 5.767 7.949 6.300 1.00 43.21 H new ATOM 0 HA LEU A 27 6.424 5.798 7.966 1.00 11.30 H new ATOM 0 HB2 LEU A 27 8.005 6.985 5.647 1.00 11.41 H new ATOM 0 HB3 LEU A 27 8.169 5.356 6.273 1.00 11.41 H new ATOM 0 HG LEU A 27 5.718 6.490 4.896 1.00 24.21 H new ATOM 0 HD11 LEU A 27 6.315 4.913 3.096 1.00 74.42 H new ATOM 0 HD12 LEU A 27 7.598 6.115 3.372 1.00 74.42 H new ATOM 0 HD13 LEU A 27 7.784 4.457 3.990 1.00 74.42 H new ATOM 0 HD21 LEU A 27 4.871 4.180 4.952 1.00 74.03 H new ATOM 0 HD22 LEU A 27 6.284 3.689 5.916 1.00 74.03 H new ATOM 0 HD23 LEU A 27 5.103 4.838 6.589 1.00 74.03 H new ATOM 440 N GLN A 28 8.263 8.429 8.347 1.00 33.34 N ATOM 441 CA GLN A 28 9.388 9.033 9.045 1.00 43.03 C ATOM 442 C GLN A 28 9.025 9.372 10.489 1.00 45.05 C ATOM 443 O GLN A 28 9.873 9.318 11.380 1.00 74.13 O ATOM 444 CB GLN A 28 9.829 10.296 8.304 1.00 25.10 C ATOM 445 CG GLN A 28 10.071 10.066 6.821 1.00 3.30 C ATOM 446 CD GLN A 28 10.266 11.351 6.044 1.00 41.23 C ATOM 447 OE1 GLN A 28 10.797 12.334 6.559 1.00 71.44 O ATOM 448 NE2 GLN A 28 9.811 11.357 4.803 1.00 74.44 N ATOM 0 H GLN A 28 7.641 9.100 7.896 1.00 33.34 H new ATOM 0 HA GLN A 28 10.208 8.315 9.066 1.00 43.03 H new ATOM 0 HB2 GLN A 28 9.067 11.066 8.426 1.00 25.10 H new ATOM 0 HB3 GLN A 28 10.743 10.677 8.760 1.00 25.10 H new ATOM 0 HG2 GLN A 28 10.952 9.436 6.696 1.00 3.30 H new ATOM 0 HG3 GLN A 28 9.226 9.520 6.402 1.00 3.30 H new ATOM 0 HE21 GLN A 28 9.377 10.519 4.415 1.00 74.44 H new ATOM 0 HE22 GLN A 28 9.894 12.199 4.234 1.00 74.44 H new ATOM 457 N THR A 29 7.763 9.713 10.718 1.00 23.02 N ATOM 458 CA THR A 29 7.327 10.157 12.035 1.00 41.33 C ATOM 459 C THR A 29 6.901 8.981 12.925 1.00 3.11 C ATOM 460 O THR A 29 7.305 8.905 14.087 1.00 34.42 O ATOM 461 CB THR A 29 6.189 11.209 11.927 1.00 21.44 C ATOM 462 OG1 THR A 29 5.765 11.646 13.225 1.00 12.41 O ATOM 463 CG2 THR A 29 4.989 10.667 11.164 1.00 61.35 C ATOM 0 H THR A 29 7.027 9.691 10.012 1.00 23.02 H new ATOM 0 HA THR A 29 8.185 10.632 12.511 1.00 41.33 H new ATOM 0 HB THR A 29 6.598 12.056 11.376 1.00 21.44 H new ATOM 0 HG1 THR A 29 5.049 12.309 13.129 1.00 12.41 H new ATOM 0 HG21 THR A 29 4.215 11.433 11.111 1.00 61.35 H new ATOM 0 HG22 THR A 29 5.295 10.389 10.155 1.00 61.35 H new ATOM 0 HG23 THR A 29 4.596 9.790 11.679 1.00 61.35 H new ATOM 471 N GLU A 30 6.121 8.054 12.380 1.00 43.02 N ATOM 472 CA GLU A 30 5.604 6.940 13.166 1.00 61.50 C ATOM 473 C GLU A 30 5.893 5.603 12.489 1.00 43.22 C ATOM 474 O GLU A 30 5.133 5.156 11.629 1.00 62.10 O ATOM 475 CB GLU A 30 4.098 7.092 13.388 1.00 2.24 C ATOM 476 CG GLU A 30 3.728 8.223 14.332 1.00 13.54 C ATOM 477 CD GLU A 30 4.110 7.931 15.770 1.00 41.33 C ATOM 478 OE1 GLU A 30 3.359 7.198 16.447 1.00 64.45 O ATOM 479 OE2 GLU A 30 5.157 8.431 16.231 1.00 14.24 O ATOM 0 H GLU A 30 5.834 8.051 11.401 1.00 43.02 H new ATOM 0 HA GLU A 30 6.111 6.955 14.131 1.00 61.50 H new ATOM 0 HB2 GLU A 30 3.614 7.261 12.426 1.00 2.24 H new ATOM 0 HB3 GLU A 30 3.702 6.157 13.784 1.00 2.24 H new ATOM 0 HG2 GLU A 30 4.222 9.139 14.007 1.00 13.54 H new ATOM 0 HG3 GLU A 30 2.654 8.403 14.274 1.00 13.54 H new ATOM 486 N PRO A 31 7.008 4.955 12.865 1.00 42.13 N ATOM 487 CA PRO A 31 7.391 3.640 12.331 1.00 50.05 C ATOM 488 C PRO A 31 6.393 2.546 12.702 1.00 62.40 C ATOM 489 O PRO A 31 6.213 1.573 11.968 1.00 15.50 O ATOM 490 CB PRO A 31 8.749 3.364 12.990 1.00 44.34 C ATOM 491 CG PRO A 31 8.773 4.235 14.197 1.00 54.53 C ATOM 492 CD PRO A 31 8.000 5.464 13.826 1.00 42.14 C ATOM 0 HA PRO A 31 7.422 3.642 11.241 1.00 50.05 H new ATOM 0 HB2 PRO A 31 8.851 2.313 13.259 1.00 44.34 H new ATOM 0 HB3 PRO A 31 9.571 3.601 12.315 1.00 44.34 H new ATOM 0 HG2 PRO A 31 8.321 3.732 15.052 1.00 54.53 H new ATOM 0 HG3 PRO A 31 9.796 4.486 14.478 1.00 54.53 H new ATOM 0 HD2 PRO A 31 7.524 5.919 14.695 1.00 42.14 H new ATOM 0 HD3 PRO A 31 8.641 6.224 13.380 1.00 42.14 H new ATOM 500 N VAL A 32 5.735 2.731 13.834 1.00 53.31 N ATOM 501 CA VAL A 32 4.797 1.744 14.357 1.00 23.04 C ATOM 502 C VAL A 32 3.548 1.634 13.478 1.00 54.20 C ATOM 503 O VAL A 32 2.878 0.602 13.460 1.00 24.33 O ATOM 504 CB VAL A 32 4.390 2.086 15.812 1.00 13.52 C ATOM 505 CG1 VAL A 32 3.625 3.401 15.873 1.00 23.24 C ATOM 506 CG2 VAL A 32 3.577 0.957 16.434 1.00 54.54 C ATOM 0 H VAL A 32 5.833 3.563 14.416 1.00 53.31 H new ATOM 0 HA VAL A 32 5.305 0.780 14.349 1.00 23.04 H new ATOM 0 HB VAL A 32 5.305 2.202 16.393 1.00 13.52 H new ATOM 0 HG11 VAL A 32 3.352 3.616 16.906 1.00 23.24 H new ATOM 0 HG12 VAL A 32 4.253 4.205 15.489 1.00 23.24 H new ATOM 0 HG13 VAL A 32 2.722 3.325 15.268 1.00 23.24 H new ATOM 0 HG21 VAL A 32 3.305 1.224 17.455 1.00 54.54 H new ATOM 0 HG22 VAL A 32 2.672 0.795 15.848 1.00 54.54 H new ATOM 0 HG23 VAL A 32 4.171 0.043 16.444 1.00 54.54 H new ATOM 516 N GLY A 33 3.251 2.691 12.733 1.00 13.22 N ATOM 517 CA GLY A 33 2.065 2.700 11.902 1.00 4.53 C ATOM 518 C GLY A 33 2.390 2.598 10.427 1.00 3.51 C ATOM 519 O GLY A 33 1.534 2.852 9.578 1.00 31.14 O ATOM 0 H GLY A 33 3.811 3.542 12.690 1.00 13.22 H new ATOM 0 HA2 GLY A 33 1.419 1.869 12.187 1.00 4.53 H new ATOM 0 HA3 GLY A 33 1.504 3.617 12.085 1.00 4.53 H new ATOM 523 N LYS A 34 3.624 2.216 10.113 1.00 64.33 N ATOM 524 CA LYS A 34 4.054 2.123 8.722 1.00 1.40 C ATOM 525 C LYS A 34 3.333 0.996 7.992 1.00 32.42 C ATOM 526 O LYS A 34 3.201 1.030 6.771 1.00 3.32 O ATOM 527 CB LYS A 34 5.566 1.910 8.621 1.00 0.43 C ATOM 528 CG LYS A 34 6.401 3.116 9.024 1.00 30.21 C ATOM 529 CD LYS A 34 7.870 2.911 8.677 1.00 13.20 C ATOM 530 CE LYS A 34 8.471 1.738 9.437 1.00 53.03 C ATOM 531 NZ LYS A 34 9.825 1.391 8.938 1.00 54.40 N ATOM 0 H LYS A 34 4.339 1.968 10.797 1.00 64.33 H new ATOM 0 HA LYS A 34 3.798 3.070 8.247 1.00 1.40 H new ATOM 0 HB2 LYS A 34 5.844 1.065 9.251 1.00 0.43 H new ATOM 0 HB3 LYS A 34 5.814 1.639 7.595 1.00 0.43 H new ATOM 0 HG2 LYS A 34 6.026 4.006 8.519 1.00 30.21 H new ATOM 0 HG3 LYS A 34 6.299 3.291 10.095 1.00 30.21 H new ATOM 0 HD2 LYS A 34 7.970 2.739 7.605 1.00 13.20 H new ATOM 0 HD3 LYS A 34 8.428 3.818 8.908 1.00 13.20 H new ATOM 0 HE2 LYS A 34 8.527 1.983 10.498 1.00 53.03 H new ATOM 0 HE3 LYS A 34 7.817 0.871 9.344 1.00 53.03 H new ATOM 0 HZ1 LYS A 34 10.200 0.587 9.481 1.00 54.40 H new ATOM 0 HZ2 LYS A 34 9.769 1.133 7.932 1.00 54.40 H new ATOM 0 HZ3 LYS A 34 10.457 2.210 9.050 1.00 54.40 H new ATOM 545 N ASP A 35 2.858 0.003 8.737 1.00 51.44 N ATOM 546 CA ASP A 35 2.168 -1.132 8.131 1.00 14.50 C ATOM 547 C ASP A 35 0.848 -0.685 7.511 1.00 42.13 C ATOM 548 O ASP A 35 0.465 -1.152 6.440 1.00 73.34 O ATOM 549 CB ASP A 35 1.936 -2.257 9.152 1.00 31.11 C ATOM 550 CG ASP A 35 0.946 -1.891 10.242 1.00 24.41 C ATOM 551 OD1 ASP A 35 1.291 -1.066 11.115 1.00 74.33 O ATOM 552 OD2 ASP A 35 -0.181 -2.432 10.235 1.00 12.23 O ATOM 0 H ASP A 35 2.937 -0.040 9.753 1.00 51.44 H new ATOM 0 HA ASP A 35 2.806 -1.529 7.341 1.00 14.50 H new ATOM 0 HB2 ASP A 35 1.577 -3.143 8.629 1.00 31.11 H new ATOM 0 HB3 ASP A 35 2.888 -2.522 9.611 1.00 31.11 H new ATOM 557 N GLU A 36 0.169 0.243 8.177 1.00 64.42 N ATOM 558 CA GLU A 36 -1.067 0.806 7.651 1.00 23.14 C ATOM 559 C GLU A 36 -0.752 1.746 6.491 1.00 5.10 C ATOM 560 O GLU A 36 -1.493 1.816 5.509 1.00 65.22 O ATOM 561 CB GLU A 36 -1.825 1.543 8.760 1.00 33.34 C ATOM 562 CG GLU A 36 -3.226 1.993 8.365 1.00 34.21 C ATOM 563 CD GLU A 36 -4.017 2.538 9.540 1.00 55.03 C ATOM 564 OE1 GLU A 36 -4.318 1.758 10.468 1.00 14.34 O ATOM 565 OE2 GLU A 36 -4.349 3.743 9.542 1.00 41.11 O ATOM 0 H GLU A 36 0.454 0.620 9.081 1.00 64.42 H new ATOM 0 HA GLU A 36 -1.702 0.000 7.283 1.00 23.14 H new ATOM 0 HB2 GLU A 36 -1.897 0.891 9.631 1.00 33.34 H new ATOM 0 HB3 GLU A 36 -1.247 2.416 9.062 1.00 33.34 H new ATOM 0 HG2 GLU A 36 -3.153 2.760 7.594 1.00 34.21 H new ATOM 0 HG3 GLU A 36 -3.764 1.152 7.928 1.00 34.21 H new ATOM 572 N ALA A 37 0.368 2.450 6.610 1.00 23.03 N ATOM 573 CA ALA A 37 0.806 3.389 5.585 1.00 31.43 C ATOM 574 C ALA A 37 1.175 2.670 4.287 1.00 42.04 C ATOM 575 O ALA A 37 0.742 3.065 3.204 1.00 52.33 O ATOM 576 CB ALA A 37 1.986 4.207 6.090 1.00 64.13 C ATOM 0 H ALA A 37 0.993 2.387 7.413 1.00 23.03 H new ATOM 0 HA ALA A 37 -0.026 4.059 5.369 1.00 31.43 H new ATOM 0 HB1 ALA A 37 2.304 4.904 5.315 1.00 64.13 H new ATOM 0 HB2 ALA A 37 1.689 4.763 6.979 1.00 64.13 H new ATOM 0 HB3 ALA A 37 2.812 3.540 6.338 1.00 64.13 H new ATOM 582 N TYR A 38 1.975 1.616 4.398 1.00 23.12 N ATOM 583 CA TYR A 38 2.373 0.832 3.231 1.00 44.25 C ATOM 584 C TYR A 38 1.174 0.128 2.609 1.00 54.13 C ATOM 585 O TYR A 38 1.111 -0.057 1.394 1.00 25.44 O ATOM 586 CB TYR A 38 3.457 -0.182 3.595 1.00 62.14 C ATOM 587 CG TYR A 38 4.847 0.411 3.639 1.00 62.33 C ATOM 588 CD1 TYR A 38 5.444 0.896 2.481 1.00 5.01 C ATOM 589 CD2 TYR A 38 5.564 0.483 4.826 1.00 44.24 C ATOM 590 CE1 TYR A 38 6.713 1.437 2.506 1.00 1.23 C ATOM 591 CE2 TYR A 38 6.836 1.021 4.858 1.00 20.21 C ATOM 592 CZ TYR A 38 7.405 1.497 3.696 1.00 41.22 C ATOM 593 OH TYR A 38 8.675 2.028 3.722 1.00 14.34 O ATOM 0 H TYR A 38 2.361 1.284 5.282 1.00 23.12 H new ATOM 0 HA TYR A 38 2.784 1.523 2.494 1.00 44.25 H new ATOM 0 HB2 TYR A 38 3.225 -0.617 4.567 1.00 62.14 H new ATOM 0 HB3 TYR A 38 3.440 -0.996 2.870 1.00 62.14 H new ATOM 0 HD1 TYR A 38 4.905 0.849 1.546 1.00 5.01 H new ATOM 0 HD2 TYR A 38 5.120 0.113 5.738 1.00 44.24 H new ATOM 0 HE1 TYR A 38 7.162 1.811 1.598 1.00 1.23 H new ATOM 0 HE2 TYR A 38 7.382 1.068 5.789 1.00 20.21 H new ATOM 0 HH TYR A 38 9.024 1.998 4.637 1.00 14.34 H new ATOM 603 N TYR A 39 0.223 -0.258 3.447 1.00 72.15 N ATOM 604 CA TYR A 39 -1.026 -0.826 2.966 1.00 4.14 C ATOM 605 C TYR A 39 -1.770 0.200 2.114 1.00 61.41 C ATOM 606 O TYR A 39 -2.286 -0.124 1.043 1.00 73.22 O ATOM 607 CB TYR A 39 -1.887 -1.279 4.147 1.00 11.22 C ATOM 608 CG TYR A 39 -3.218 -1.880 3.749 1.00 54.51 C ATOM 609 CD1 TYR A 39 -3.284 -3.111 3.108 1.00 42.03 C ATOM 610 CD2 TYR A 39 -4.410 -1.219 4.020 1.00 22.21 C ATOM 611 CE1 TYR A 39 -4.496 -3.667 2.748 1.00 43.32 C ATOM 612 CE2 TYR A 39 -5.627 -1.768 3.664 1.00 14.43 C ATOM 613 CZ TYR A 39 -5.666 -2.990 3.027 1.00 42.42 C ATOM 614 OH TYR A 39 -6.876 -3.539 2.673 1.00 2.31 O ATOM 0 H TYR A 39 0.293 -0.188 4.462 1.00 72.15 H new ATOM 0 HA TYR A 39 -0.809 -1.697 2.347 1.00 4.14 H new ATOM 0 HB2 TYR A 39 -1.329 -2.013 4.729 1.00 11.22 H new ATOM 0 HB3 TYR A 39 -2.067 -0.425 4.800 1.00 11.22 H new ATOM 0 HD1 TYR A 39 -2.370 -3.643 2.887 1.00 42.03 H new ATOM 0 HD2 TYR A 39 -4.385 -0.260 4.517 1.00 22.21 H new ATOM 0 HE1 TYR A 39 -4.528 -4.625 2.251 1.00 43.32 H new ATOM 0 HE2 TYR A 39 -6.544 -1.242 3.884 1.00 14.43 H new ATOM 0 HH TYR A 39 -7.600 -2.936 2.942 1.00 2.31 H new ATOM 624 N LEU A 40 -1.801 1.442 2.589 1.00 5.23 N ATOM 625 CA LEU A 40 -2.425 2.530 1.845 1.00 55.13 C ATOM 626 C LEU A 40 -1.682 2.784 0.537 1.00 32.22 C ATOM 627 O LEU A 40 -2.306 3.041 -0.493 1.00 34.24 O ATOM 628 CB LEU A 40 -2.465 3.810 2.685 1.00 51.13 C ATOM 629 CG LEU A 40 -3.360 3.749 3.926 1.00 45.13 C ATOM 630 CD1 LEU A 40 -3.314 5.069 4.682 1.00 12.23 C ATOM 631 CD2 LEU A 40 -4.791 3.407 3.538 1.00 31.31 C ATOM 0 H LEU A 40 -1.401 1.719 3.486 1.00 5.23 H new ATOM 0 HA LEU A 40 -3.448 2.235 1.613 1.00 55.13 H new ATOM 0 HB2 LEU A 40 -1.450 4.050 3.001 1.00 51.13 H new ATOM 0 HB3 LEU A 40 -2.804 4.630 2.052 1.00 51.13 H new ATOM 0 HG LEU A 40 -2.985 2.963 4.581 1.00 45.13 H new ATOM 0 HD11 LEU A 40 -3.956 5.008 5.561 1.00 12.23 H new ATOM 0 HD12 LEU A 40 -2.290 5.274 4.994 1.00 12.23 H new ATOM 0 HD13 LEU A 40 -3.663 5.872 4.033 1.00 12.23 H new ATOM 0 HD21 LEU A 40 -5.411 3.368 4.433 1.00 31.31 H new ATOM 0 HD22 LEU A 40 -5.177 4.170 2.862 1.00 31.31 H new ATOM 0 HD23 LEU A 40 -4.811 2.437 3.040 1.00 31.31 H new ATOM 643 N MET A 41 -0.351 2.706 0.581 1.00 3.02 N ATOM 644 CA MET A 41 0.463 2.821 -0.630 1.00 74.33 C ATOM 645 C MET A 41 0.015 1.805 -1.666 1.00 64.51 C ATOM 646 O MET A 41 -0.235 2.150 -2.821 1.00 31.41 O ATOM 647 CB MET A 41 1.950 2.615 -0.329 1.00 71.40 C ATOM 648 CG MET A 41 2.654 3.855 0.183 1.00 45.11 C ATOM 649 SD MET A 41 4.421 3.601 0.417 1.00 63.24 S ATOM 650 CE MET A 41 4.952 5.279 0.736 1.00 41.34 C ATOM 0 H MET A 41 0.184 2.564 1.438 1.00 3.02 H new ATOM 0 HA MET A 41 0.326 3.829 -1.021 1.00 74.33 H new ATOM 0 HB2 MET A 41 2.054 1.820 0.410 1.00 71.40 H new ATOM 0 HB3 MET A 41 2.450 2.275 -1.236 1.00 71.40 H new ATOM 0 HG2 MET A 41 2.498 4.673 -0.520 1.00 45.11 H new ATOM 0 HG3 MET A 41 2.206 4.158 1.129 1.00 45.11 H new ATOM 0 HE1 MET A 41 6.041 5.328 0.709 1.00 41.34 H new ATOM 0 HE2 MET A 41 4.540 5.942 -0.025 1.00 41.34 H new ATOM 0 HE3 MET A 41 4.599 5.592 1.719 1.00 41.34 H new ATOM 660 N GLY A 42 -0.097 0.554 -1.240 1.00 55.11 N ATOM 661 CA GLY A 42 -0.561 -0.493 -2.126 1.00 41.52 C ATOM 662 C GLY A 42 -1.928 -0.186 -2.700 1.00 24.42 C ATOM 663 O GLY A 42 -2.161 -0.381 -3.890 1.00 23.02 O ATOM 0 H GLY A 42 0.126 0.246 -0.294 1.00 55.11 H new ATOM 0 HA2 GLY A 42 0.153 -0.622 -2.939 1.00 41.52 H new ATOM 0 HA3 GLY A 42 -0.600 -1.437 -1.583 1.00 41.52 H new ATOM 667 N ASN A 43 -2.826 0.317 -1.856 1.00 75.42 N ATOM 668 CA ASN A 43 -4.181 0.662 -2.287 1.00 21.45 C ATOM 669 C ASN A 43 -4.151 1.750 -3.353 1.00 13.21 C ATOM 670 O ASN A 43 -4.938 1.731 -4.300 1.00 61.44 O ATOM 671 CB ASN A 43 -5.037 1.133 -1.106 1.00 32.45 C ATOM 672 CG ASN A 43 -5.260 0.052 -0.067 1.00 43.11 C ATOM 673 OD1 ASN A 43 -5.219 -1.138 -0.369 1.00 40.41 O ATOM 674 ND2 ASN A 43 -5.514 0.458 1.165 1.00 45.25 N ATOM 0 H ASN A 43 -2.641 0.495 -0.869 1.00 75.42 H new ATOM 0 HA ASN A 43 -4.626 -0.240 -2.707 1.00 21.45 H new ATOM 0 HB2 ASN A 43 -4.555 1.989 -0.634 1.00 32.45 H new ATOM 0 HB3 ASN A 43 -6.002 1.476 -1.478 1.00 32.45 H new ATOM 0 HD21 ASN A 43 -5.684 -0.226 1.902 1.00 45.25 H new ATOM 0 HD22 ASN A 43 -5.540 1.455 1.378 1.00 45.25 H new ATOM 681 N ALA A 44 -3.236 2.693 -3.192 1.00 24.23 N ATOM 682 CA ALA A 44 -3.084 3.779 -4.145 1.00 11.11 C ATOM 683 C ALA A 44 -2.621 3.247 -5.497 1.00 13.34 C ATOM 684 O ALA A 44 -3.192 3.578 -6.538 1.00 1.43 O ATOM 685 CB ALA A 44 -2.099 4.813 -3.613 1.00 12.12 C ATOM 0 H ALA A 44 -2.586 2.727 -2.407 1.00 24.23 H new ATOM 0 HA ALA A 44 -4.054 4.258 -4.281 1.00 11.11 H new ATOM 0 HB1 ALA A 44 -1.994 5.621 -4.336 1.00 12.12 H new ATOM 0 HB2 ALA A 44 -2.468 5.216 -2.670 1.00 12.12 H new ATOM 0 HB3 ALA A 44 -1.129 4.342 -3.452 1.00 12.12 H new ATOM 691 N TYR A 45 -1.599 2.398 -5.472 1.00 21.00 N ATOM 692 CA TYR A 45 -1.025 1.855 -6.697 1.00 21.33 C ATOM 693 C TYR A 45 -1.977 0.892 -7.399 1.00 65.04 C ATOM 694 O TYR A 45 -2.086 0.915 -8.625 1.00 64.23 O ATOM 695 CB TYR A 45 0.305 1.167 -6.409 1.00 30.33 C ATOM 696 CG TYR A 45 1.432 2.134 -6.131 1.00 42.25 C ATOM 697 CD1 TYR A 45 1.977 2.902 -7.153 1.00 54.15 C ATOM 698 CD2 TYR A 45 1.952 2.282 -4.851 1.00 23.52 C ATOM 699 CE1 TYR A 45 3.013 3.782 -6.907 1.00 11.11 C ATOM 700 CE2 TYR A 45 2.987 3.161 -4.600 1.00 73.31 C ATOM 701 CZ TYR A 45 3.512 3.909 -5.630 1.00 40.21 C ATOM 702 OH TYR A 45 4.547 4.778 -5.386 1.00 62.33 O ATOM 0 H TYR A 45 -1.151 2.071 -4.616 1.00 21.00 H new ATOM 0 HA TYR A 45 -0.853 2.695 -7.370 1.00 21.33 H new ATOM 0 HB2 TYR A 45 0.185 0.504 -5.552 1.00 30.33 H new ATOM 0 HB3 TYR A 45 0.574 0.542 -7.260 1.00 30.33 H new ATOM 0 HD1 TYR A 45 1.585 2.809 -8.155 1.00 54.15 H new ATOM 0 HD2 TYR A 45 1.540 1.700 -4.040 1.00 23.52 H new ATOM 0 HE1 TYR A 45 3.430 4.368 -7.713 1.00 11.11 H new ATOM 0 HE2 TYR A 45 3.383 3.261 -3.600 1.00 73.31 H new ATOM 0 HH TYR A 45 4.780 4.750 -4.435 1.00 62.33 H new ATOM 712 N ARG A 46 -2.676 0.058 -6.632 1.00 54.44 N ATOM 713 CA ARG A 46 -3.617 -0.890 -7.225 1.00 50.21 C ATOM 714 C ARG A 46 -4.796 -0.154 -7.854 1.00 31.32 C ATOM 715 O ARG A 46 -5.423 -0.656 -8.787 1.00 12.54 O ATOM 716 CB ARG A 46 -4.116 -1.923 -6.203 1.00 33.12 C ATOM 717 CG ARG A 46 -4.906 -1.337 -5.043 1.00 53.22 C ATOM 718 CD ARG A 46 -5.609 -2.420 -4.239 1.00 45.33 C ATOM 719 NE ARG A 46 -6.747 -2.986 -4.965 1.00 2.44 N ATOM 720 CZ ARG A 46 -7.627 -3.843 -4.443 1.00 21.12 C ATOM 721 NH1 ARG A 46 -7.514 -4.238 -3.180 1.00 61.15 N ATOM 722 NH2 ARG A 46 -8.629 -4.298 -5.185 1.00 63.14 N ATOM 0 H ARG A 46 -2.611 0.018 -5.615 1.00 54.44 H new ATOM 0 HA ARG A 46 -3.081 -1.432 -8.004 1.00 50.21 H new ATOM 0 HB2 ARG A 46 -4.741 -2.652 -6.719 1.00 33.12 H new ATOM 0 HB3 ARG A 46 -3.258 -2.464 -5.804 1.00 33.12 H new ATOM 0 HG2 ARG A 46 -4.235 -0.777 -4.391 1.00 53.22 H new ATOM 0 HG3 ARG A 46 -5.643 -0.630 -5.424 1.00 53.22 H new ATOM 0 HD2 ARG A 46 -4.900 -3.213 -4.000 1.00 45.33 H new ATOM 0 HD3 ARG A 46 -5.953 -2.004 -3.292 1.00 45.33 H new ATOM 0 HE ARG A 46 -6.876 -2.706 -5.937 1.00 2.44 H new ATOM 0 HH11 ARG A 46 -6.751 -3.886 -2.602 1.00 61.15 H new ATOM 0 HH12 ARG A 46 -8.190 -4.893 -2.788 1.00 61.15 H new ATOM 0 HH21 ARG A 46 -8.726 -3.993 -6.153 1.00 63.14 H new ATOM 0 HH22 ARG A 46 -9.302 -4.953 -4.787 1.00 63.14 H new ATOM 736 N LYS A 47 -5.093 1.038 -7.343 1.00 75.00 N ATOM 737 CA LYS A 47 -6.138 1.866 -7.908 1.00 44.34 C ATOM 738 C LYS A 47 -5.673 2.482 -9.226 1.00 3.40 C ATOM 739 O LYS A 47 -6.441 2.573 -10.186 1.00 34.14 O ATOM 740 CB LYS A 47 -6.534 2.948 -6.907 1.00 44.24 C ATOM 741 CG LYS A 47 -7.689 3.810 -7.370 1.00 4.35 C ATOM 742 CD LYS A 47 -8.206 4.687 -6.247 1.00 11.31 C ATOM 743 CE LYS A 47 -8.864 3.861 -5.148 1.00 24.13 C ATOM 744 NZ LYS A 47 -10.067 3.120 -5.629 1.00 11.25 N ATOM 0 H LYS A 47 -4.620 1.447 -6.537 1.00 75.00 H new ATOM 0 HA LYS A 47 -7.012 1.250 -8.117 1.00 44.34 H new ATOM 0 HB2 LYS A 47 -6.800 2.476 -5.961 1.00 44.24 H new ATOM 0 HB3 LYS A 47 -5.671 3.585 -6.713 1.00 44.24 H new ATOM 0 HG2 LYS A 47 -7.368 4.434 -8.204 1.00 4.35 H new ATOM 0 HG3 LYS A 47 -8.495 3.175 -7.739 1.00 4.35 H new ATOM 0 HD2 LYS A 47 -7.382 5.263 -5.826 1.00 11.31 H new ATOM 0 HD3 LYS A 47 -8.925 5.403 -6.645 1.00 11.31 H new ATOM 0 HE2 LYS A 47 -8.140 3.151 -4.749 1.00 24.13 H new ATOM 0 HE3 LYS A 47 -9.151 4.518 -4.327 1.00 24.13 H new ATOM 0 HZ1 LYS A 47 -10.609 2.771 -4.813 1.00 11.25 H new ATOM 0 HZ2 LYS A 47 -10.664 3.757 -6.194 1.00 11.25 H new ATOM 0 HZ3 LYS A 47 -9.767 2.315 -6.215 1.00 11.25 H new ATOM 758 N LEU A 48 -4.403 2.882 -9.267 1.00 53.11 N ATOM 759 CA LEU A 48 -3.799 3.408 -10.489 1.00 23.23 C ATOM 760 C LEU A 48 -3.744 2.330 -11.562 1.00 32.34 C ATOM 761 O LEU A 48 -3.920 2.605 -12.750 1.00 33.22 O ATOM 762 CB LEU A 48 -2.380 3.914 -10.221 1.00 32.35 C ATOM 763 CG LEU A 48 -2.266 5.089 -9.252 1.00 22.11 C ATOM 764 CD1 LEU A 48 -0.804 5.414 -9.000 1.00 55.41 C ATOM 765 CD2 LEU A 48 -2.992 6.309 -9.797 1.00 70.15 C ATOM 0 H LEU A 48 -3.772 2.852 -8.466 1.00 53.11 H new ATOM 0 HA LEU A 48 -4.417 4.237 -10.833 1.00 23.23 H new ATOM 0 HB2 LEU A 48 -1.787 3.087 -9.831 1.00 32.35 H new ATOM 0 HB3 LEU A 48 -1.933 4.206 -11.171 1.00 32.35 H new ATOM 0 HG LEU A 48 -2.734 4.807 -8.309 1.00 22.11 H new ATOM 0 HD11 LEU A 48 -0.732 6.253 -8.308 1.00 55.41 H new ATOM 0 HD12 LEU A 48 -0.307 4.545 -8.569 1.00 55.41 H new ATOM 0 HD13 LEU A 48 -0.322 5.678 -9.942 1.00 55.41 H new ATOM 0 HD21 LEU A 48 -2.898 7.134 -9.091 1.00 70.15 H new ATOM 0 HD22 LEU A 48 -2.553 6.597 -10.752 1.00 70.15 H new ATOM 0 HD23 LEU A 48 -4.046 6.072 -9.939 1.00 70.15 H new ATOM 777 N GLY A 49 -3.494 1.101 -11.135 1.00 43.43 N ATOM 778 CA GLY A 49 -3.393 0.002 -12.069 1.00 42.01 C ATOM 779 C GLY A 49 -1.995 -0.580 -12.110 1.00 50.40 C ATOM 780 O GLY A 49 -1.668 -1.376 -12.991 1.00 52.15 O ATOM 0 H GLY A 49 -3.359 0.846 -10.157 1.00 43.43 H new ATOM 0 HA2 GLY A 49 -4.102 -0.777 -11.790 1.00 42.01 H new ATOM 0 HA3 GLY A 49 -3.672 0.346 -13.065 1.00 42.01 H new ATOM 784 N ASP A 50 -1.164 -0.169 -11.161 1.00 20.23 N ATOM 785 CA ASP A 50 0.196 -0.682 -11.065 1.00 3.13 C ATOM 786 C ASP A 50 0.286 -1.664 -9.911 1.00 1.22 C ATOM 787 O ASP A 50 0.270 -1.273 -8.742 1.00 53.23 O ATOM 788 CB ASP A 50 1.202 0.455 -10.863 1.00 41.10 C ATOM 789 CG ASP A 50 2.642 -0.022 -10.960 1.00 72.42 C ATOM 790 OD1 ASP A 50 3.126 -0.685 -10.020 1.00 54.22 O ATOM 791 OD2 ASP A 50 3.301 0.273 -11.981 1.00 70.34 O ATOM 0 H ASP A 50 -1.408 0.518 -10.447 1.00 20.23 H new ATOM 0 HA ASP A 50 0.442 -1.188 -11.999 1.00 3.13 H new ATOM 0 HB2 ASP A 50 1.027 1.228 -11.611 1.00 41.10 H new ATOM 0 HB3 ASP A 50 1.038 0.912 -9.887 1.00 41.10 H new ATOM 796 N TRP A 51 0.361 -2.940 -10.237 1.00 24.10 N ATOM 797 CA TRP A 51 0.369 -3.977 -9.217 1.00 53.35 C ATOM 798 C TRP A 51 1.783 -4.214 -8.704 1.00 61.25 C ATOM 799 O TRP A 51 1.975 -4.772 -7.624 1.00 43.41 O ATOM 800 CB TRP A 51 -0.207 -5.278 -9.772 1.00 2.15 C ATOM 801 CG TRP A 51 -1.576 -5.126 -10.365 1.00 75.22 C ATOM 802 CD1 TRP A 51 -1.884 -5.042 -11.690 1.00 71.11 C ATOM 803 CD2 TRP A 51 -2.821 -5.041 -9.659 1.00 23.30 C ATOM 804 NE1 TRP A 51 -3.242 -4.918 -11.855 1.00 35.14 N ATOM 805 CE2 TRP A 51 -3.839 -4.910 -10.623 1.00 12.52 C ATOM 806 CE3 TRP A 51 -3.176 -5.061 -8.309 1.00 54.32 C ATOM 807 CZ2 TRP A 51 -5.185 -4.804 -10.280 1.00 34.55 C ATOM 808 CZ3 TRP A 51 -4.511 -4.955 -7.968 1.00 24.44 C ATOM 809 CH2 TRP A 51 -5.501 -4.827 -8.950 1.00 11.21 C ATOM 0 H TRP A 51 0.417 -3.285 -11.195 1.00 24.10 H new ATOM 0 HA TRP A 51 -0.253 -3.641 -8.387 1.00 53.35 H new ATOM 0 HB2 TRP A 51 0.468 -5.668 -10.534 1.00 2.15 H new ATOM 0 HB3 TRP A 51 -0.247 -6.018 -8.972 1.00 2.15 H new ATOM 0 HD1 TRP A 51 -1.164 -5.069 -12.494 1.00 71.11 H new ATOM 0 HE1 TRP A 51 -3.727 -4.844 -12.749 1.00 35.14 H new ATOM 0 HE3 TRP A 51 -2.420 -5.158 -7.544 1.00 54.32 H new ATOM 0 HZ2 TRP A 51 -5.950 -4.707 -11.036 1.00 34.55 H new ATOM 0 HZ3 TRP A 51 -4.796 -4.971 -6.926 1.00 24.44 H new ATOM 0 HH2 TRP A 51 -6.535 -4.745 -8.651 1.00 11.21 H new ATOM 820 N GLN A 52 2.768 -3.762 -9.475 1.00 10.02 N ATOM 821 CA GLN A 52 4.167 -3.971 -9.130 1.00 45.12 C ATOM 822 C GLN A 52 4.516 -3.203 -7.863 1.00 32.14 C ATOM 823 O GLN A 52 4.992 -3.780 -6.884 1.00 11.21 O ATOM 824 CB GLN A 52 5.072 -3.514 -10.274 1.00 11.40 C ATOM 825 CG GLN A 52 6.506 -3.991 -10.141 1.00 33.13 C ATOM 826 CD GLN A 52 6.612 -5.499 -10.223 1.00 71.12 C ATOM 827 OE1 GLN A 52 6.780 -6.059 -11.303 1.00 64.35 O ATOM 828 NE2 GLN A 52 6.497 -6.168 -9.087 1.00 20.33 N ATOM 0 H GLN A 52 2.621 -3.248 -10.344 1.00 10.02 H new ATOM 0 HA GLN A 52 4.324 -5.036 -8.958 1.00 45.12 H new ATOM 0 HB2 GLN A 52 4.663 -3.877 -11.217 1.00 11.40 H new ATOM 0 HB3 GLN A 52 5.063 -2.425 -10.321 1.00 11.40 H new ATOM 0 HG2 GLN A 52 7.112 -3.542 -10.928 1.00 33.13 H new ATOM 0 HG3 GLN A 52 6.915 -3.650 -9.190 1.00 33.13 H new ATOM 0 HE21 GLN A 52 6.358 -5.665 -8.211 1.00 20.33 H new ATOM 0 HE22 GLN A 52 6.547 -7.187 -9.088 1.00 20.33 H new ATOM 837 N LYS A 53 4.251 -1.904 -7.884 1.00 32.20 N ATOM 838 CA LYS A 53 4.515 -1.045 -6.741 1.00 0.12 C ATOM 839 C LYS A 53 3.641 -1.441 -5.563 1.00 35.34 C ATOM 840 O LYS A 53 4.055 -1.338 -4.408 1.00 12.33 O ATOM 841 CB LYS A 53 4.257 0.413 -7.110 1.00 20.00 C ATOM 842 CG LYS A 53 5.235 0.972 -8.125 1.00 43.31 C ATOM 843 CD LYS A 53 6.591 1.244 -7.499 1.00 4.13 C ATOM 844 CE LYS A 53 7.608 1.679 -8.537 1.00 34.32 C ATOM 845 NZ LYS A 53 7.133 2.832 -9.354 1.00 3.14 N ATOM 0 H LYS A 53 3.850 -1.420 -8.688 1.00 32.20 H new ATOM 0 HA LYS A 53 5.560 -1.162 -6.456 1.00 0.12 H new ATOM 0 HB2 LYS A 53 3.246 0.504 -7.506 1.00 20.00 H new ATOM 0 HB3 LYS A 53 4.301 1.020 -6.206 1.00 20.00 H new ATOM 0 HG2 LYS A 53 5.348 0.268 -8.949 1.00 43.31 H new ATOM 0 HG3 LYS A 53 4.836 1.895 -8.547 1.00 43.31 H new ATOM 0 HD2 LYS A 53 6.492 2.019 -6.738 1.00 4.13 H new ATOM 0 HD3 LYS A 53 6.946 0.345 -6.995 1.00 4.13 H new ATOM 0 HE2 LYS A 53 8.538 1.950 -8.038 1.00 34.32 H new ATOM 0 HE3 LYS A 53 7.832 0.840 -9.195 1.00 34.32 H new ATOM 0 HZ1 LYS A 53 7.915 3.188 -9.940 1.00 3.14 H new ATOM 0 HZ2 LYS A 53 6.352 2.524 -9.968 1.00 3.14 H new ATOM 0 HZ3 LYS A 53 6.800 3.590 -8.724 1.00 3.14 H new ATOM 859 N ALA A 54 2.435 -1.905 -5.863 1.00 41.01 N ATOM 860 CA ALA A 54 1.510 -2.331 -4.830 1.00 55.41 C ATOM 861 C ALA A 54 2.087 -3.499 -4.037 1.00 63.13 C ATOM 862 O ALA A 54 2.190 -3.433 -2.814 1.00 72.51 O ATOM 863 CB ALA A 54 0.170 -2.711 -5.442 1.00 43.44 C ATOM 0 H ALA A 54 2.078 -1.995 -6.814 1.00 41.01 H new ATOM 0 HA ALA A 54 1.354 -1.498 -4.144 1.00 55.41 H new ATOM 0 HB1 ALA A 54 -0.513 -3.028 -4.654 1.00 43.44 H new ATOM 0 HB2 ALA A 54 -0.250 -1.850 -5.961 1.00 43.44 H new ATOM 0 HB3 ALA A 54 0.312 -3.528 -6.150 1.00 43.44 H new ATOM 869 N LEU A 55 2.502 -4.543 -4.746 1.00 24.34 N ATOM 870 CA LEU A 55 3.045 -5.741 -4.111 1.00 52.13 C ATOM 871 C LEU A 55 4.271 -5.423 -3.269 1.00 24.45 C ATOM 872 O LEU A 55 4.413 -5.927 -2.152 1.00 75.40 O ATOM 873 CB LEU A 55 3.420 -6.778 -5.168 1.00 54.51 C ATOM 874 CG LEU A 55 2.247 -7.419 -5.898 1.00 35.04 C ATOM 875 CD1 LEU A 55 2.755 -8.293 -7.030 1.00 73.34 C ATOM 876 CD2 LEU A 55 1.405 -8.237 -4.931 1.00 33.03 C ATOM 0 H LEU A 55 2.473 -4.585 -5.765 1.00 24.34 H new ATOM 0 HA LEU A 55 2.270 -6.141 -3.457 1.00 52.13 H new ATOM 0 HB2 LEU A 55 4.069 -6.304 -5.904 1.00 54.51 H new ATOM 0 HB3 LEU A 55 4.003 -7.565 -4.690 1.00 54.51 H new ATOM 0 HG LEU A 55 1.621 -6.632 -6.318 1.00 35.04 H new ATOM 0 HD11 LEU A 55 1.909 -8.747 -7.546 1.00 73.34 H new ATOM 0 HD12 LEU A 55 3.325 -7.684 -7.732 1.00 73.34 H new ATOM 0 HD13 LEU A 55 3.396 -9.076 -6.625 1.00 73.34 H new ATOM 0 HD21 LEU A 55 0.571 -8.689 -5.467 1.00 33.03 H new ATOM 0 HD22 LEU A 55 2.019 -9.021 -4.488 1.00 33.03 H new ATOM 0 HD23 LEU A 55 1.021 -7.588 -4.144 1.00 33.03 H new ATOM 888 N ASN A 56 5.147 -4.592 -3.811 1.00 35.25 N ATOM 889 CA ASN A 56 6.396 -4.246 -3.149 1.00 72.51 C ATOM 890 C ASN A 56 6.128 -3.554 -1.821 1.00 41.11 C ATOM 891 O ASN A 56 6.691 -3.920 -0.788 1.00 4.41 O ATOM 892 CB ASN A 56 7.240 -3.343 -4.056 1.00 64.31 C ATOM 893 CG ASN A 56 7.813 -4.080 -5.255 1.00 34.54 C ATOM 894 OD1 ASN A 56 7.291 -5.110 -5.681 1.00 51.51 O ATOM 895 ND2 ASN A 56 8.873 -3.540 -5.826 1.00 43.10 N ATOM 0 H ASN A 56 5.014 -4.141 -4.716 1.00 35.25 H new ATOM 0 HA ASN A 56 6.948 -5.165 -2.951 1.00 72.51 H new ATOM 0 HB2 ASN A 56 6.627 -2.512 -4.405 1.00 64.31 H new ATOM 0 HB3 ASN A 56 8.057 -2.914 -3.475 1.00 64.31 H new ATOM 0 HD21 ASN A 56 9.287 -3.977 -6.649 1.00 43.10 H new ATOM 0 HD22 ASN A 56 9.278 -2.685 -5.444 1.00 43.10 H new ATOM 902 N ASN A 57 5.240 -2.577 -1.851 1.00 63.21 N ATOM 903 CA ASN A 57 4.919 -1.800 -0.663 1.00 44.03 C ATOM 904 C ASN A 57 4.041 -2.598 0.300 1.00 73.23 C ATOM 905 O ASN A 57 4.150 -2.446 1.517 1.00 0.43 O ATOM 906 CB ASN A 57 4.256 -0.484 -1.069 1.00 11.25 C ATOM 907 CG ASN A 57 5.239 0.447 -1.763 1.00 35.41 C ATOM 908 OD1 ASN A 57 6.403 0.546 -1.368 1.00 33.24 O ATOM 909 ND2 ASN A 57 4.799 1.096 -2.832 1.00 3.55 N ATOM 0 H ASN A 57 4.726 -2.300 -2.687 1.00 63.21 H new ATOM 0 HA ASN A 57 5.843 -1.571 -0.133 1.00 44.03 H new ATOM 0 HB2 ASN A 57 3.417 -0.689 -1.733 1.00 11.25 H new ATOM 0 HB3 ASN A 57 3.850 0.008 -0.185 1.00 11.25 H new ATOM 0 HD21 ASN A 57 5.430 1.701 -3.357 1.00 3.55 H new ATOM 0 HD22 ASN A 57 3.829 0.990 -3.130 1.00 3.55 H new ATOM 916 N TYR A 58 3.186 -3.468 -0.240 1.00 71.02 N ATOM 917 CA TYR A 58 2.408 -4.381 0.597 1.00 31.22 C ATOM 918 C TYR A 58 3.339 -5.264 1.415 1.00 23.43 C ATOM 919 O TYR A 58 3.081 -5.540 2.583 1.00 75.50 O ATOM 920 CB TYR A 58 1.480 -5.269 -0.242 1.00 42.01 C ATOM 921 CG TYR A 58 0.173 -4.620 -0.641 1.00 24.01 C ATOM 922 CD1 TYR A 58 -0.560 -3.875 0.272 1.00 62.24 C ATOM 923 CD2 TYR A 58 -0.337 -4.772 -1.924 1.00 24.14 C ATOM 924 CE1 TYR A 58 -1.761 -3.294 -0.084 1.00 20.42 C ATOM 925 CE2 TYR A 58 -1.538 -4.192 -2.288 1.00 1.32 C ATOM 926 CZ TYR A 58 -2.246 -3.457 -1.363 1.00 61.11 C ATOM 927 OH TYR A 58 -3.444 -2.882 -1.721 1.00 32.05 O ATOM 0 H TYR A 58 3.016 -3.559 -1.242 1.00 71.02 H new ATOM 0 HA TYR A 58 1.794 -3.771 1.260 1.00 31.22 H new ATOM 0 HB2 TYR A 58 2.009 -5.573 -1.145 1.00 42.01 H new ATOM 0 HB3 TYR A 58 1.262 -6.177 0.321 1.00 42.01 H new ATOM 0 HD1 TYR A 58 -0.185 -3.748 1.277 1.00 62.24 H new ATOM 0 HD2 TYR A 58 0.214 -5.353 -2.649 1.00 24.14 H new ATOM 0 HE1 TYR A 58 -2.318 -2.714 0.637 1.00 20.42 H new ATOM 0 HE2 TYR A 58 -1.919 -4.314 -3.291 1.00 1.32 H new ATOM 0 HH TYR A 58 -3.775 -2.328 -0.983 1.00 32.05 H new ATOM 937 N GLN A 59 4.432 -5.693 0.791 1.00 71.02 N ATOM 938 CA GLN A 59 5.403 -6.555 1.452 1.00 74.41 C ATOM 939 C GLN A 59 6.107 -5.787 2.567 1.00 2.10 C ATOM 940 O GLN A 59 6.400 -6.339 3.628 1.00 50.21 O ATOM 941 CB GLN A 59 6.415 -7.092 0.431 1.00 1.20 C ATOM 942 CG GLN A 59 7.215 -8.295 0.919 1.00 43.32 C ATOM 943 CD GLN A 59 8.349 -7.921 1.856 1.00 1.12 C ATOM 944 OE1 GLN A 59 8.956 -6.857 1.721 1.00 14.14 O ATOM 945 NE2 GLN A 59 8.618 -8.778 2.826 1.00 72.20 N ATOM 0 H GLN A 59 4.667 -5.457 -0.173 1.00 71.02 H new ATOM 0 HA GLN A 59 4.884 -7.405 1.895 1.00 74.41 H new ATOM 0 HB2 GLN A 59 5.884 -7.368 -0.480 1.00 1.20 H new ATOM 0 HB3 GLN A 59 7.107 -6.292 0.167 1.00 1.20 H new ATOM 0 HG2 GLN A 59 6.544 -8.986 1.429 1.00 43.32 H new ATOM 0 HG3 GLN A 59 7.624 -8.824 0.058 1.00 43.32 H new ATOM 0 HE21 GLN A 59 8.090 -9.647 2.900 1.00 72.20 H new ATOM 0 HE22 GLN A 59 9.354 -8.570 3.501 1.00 72.20 H new ATOM 954 N SER A 60 6.354 -4.506 2.326 1.00 63.11 N ATOM 955 CA SER A 60 6.953 -3.638 3.328 1.00 32.21 C ATOM 956 C SER A 60 6.062 -3.547 4.568 1.00 31.33 C ATOM 957 O SER A 60 6.550 -3.371 5.683 1.00 62.32 O ATOM 958 CB SER A 60 7.199 -2.249 2.740 1.00 31.34 C ATOM 959 OG SER A 60 8.030 -2.321 1.593 1.00 11.54 O ATOM 0 H SER A 60 6.147 -4.044 1.440 1.00 63.11 H new ATOM 0 HA SER A 60 7.910 -4.065 3.630 1.00 32.21 H new ATOM 0 HB2 SER A 60 6.247 -1.789 2.475 1.00 31.34 H new ATOM 0 HB3 SER A 60 7.664 -1.610 3.491 1.00 31.34 H new ATOM 0 HG SER A 60 7.548 -2.770 0.867 1.00 11.54 H new ATOM 965 N ALA A 61 4.751 -3.653 4.372 1.00 44.44 N ATOM 966 CA ALA A 61 3.820 -3.702 5.492 1.00 21.14 C ATOM 967 C ALA A 61 3.856 -5.072 6.169 1.00 65.22 C ATOM 968 O ALA A 61 3.695 -5.180 7.386 1.00 34.51 O ATOM 969 CB ALA A 61 2.411 -3.376 5.023 1.00 74.22 C ATOM 0 H ALA A 61 4.312 -3.706 3.453 1.00 44.44 H new ATOM 0 HA ALA A 61 4.125 -2.954 6.224 1.00 21.14 H new ATOM 0 HB1 ALA A 61 1.727 -3.417 5.871 1.00 74.22 H new ATOM 0 HB2 ALA A 61 2.394 -2.376 4.590 1.00 74.22 H new ATOM 0 HB3 ALA A 61 2.101 -4.102 4.271 1.00 74.22 H new ATOM 975 N ILE A 62 4.087 -6.112 5.372 1.00 15.42 N ATOM 976 CA ILE A 62 4.109 -7.486 5.870 1.00 64.44 C ATOM 977 C ILE A 62 5.287 -7.726 6.814 1.00 3.53 C ATOM 978 O ILE A 62 5.137 -8.388 7.843 1.00 32.22 O ATOM 979 CB ILE A 62 4.171 -8.504 4.708 1.00 44.55 C ATOM 980 CG1 ILE A 62 2.928 -8.374 3.823 1.00 74.32 C ATOM 981 CG2 ILE A 62 4.291 -9.928 5.245 1.00 74.33 C ATOM 982 CD1 ILE A 62 2.954 -9.265 2.599 1.00 55.03 C ATOM 0 H ILE A 62 4.263 -6.029 4.371 1.00 15.42 H new ATOM 0 HA ILE A 62 3.181 -7.631 6.423 1.00 64.44 H new ATOM 0 HB ILE A 62 5.055 -8.287 4.108 1.00 44.55 H new ATOM 0 HG12 ILE A 62 2.045 -8.612 4.416 1.00 74.32 H new ATOM 0 HG13 ILE A 62 2.827 -7.337 3.504 1.00 74.32 H new ATOM 0 HG21 ILE A 62 4.333 -10.629 4.411 1.00 74.33 H new ATOM 0 HG22 ILE A 62 5.200 -10.017 5.840 1.00 74.33 H new ATOM 0 HG23 ILE A 62 3.426 -10.156 5.867 1.00 74.33 H new ATOM 0 HD11 ILE A 62 2.041 -9.117 2.022 1.00 55.03 H new ATOM 0 HD12 ILE A 62 3.817 -9.012 1.983 1.00 55.03 H new ATOM 0 HD13 ILE A 62 3.022 -10.308 2.909 1.00 55.03 H new ATOM 994 N GLU A 63 6.455 -7.188 6.468 1.00 63.12 N ATOM 995 CA GLU A 63 7.644 -7.361 7.303 1.00 22.54 C ATOM 996 C GLU A 63 7.454 -6.693 8.665 1.00 5.31 C ATOM 997 O GLU A 63 8.061 -7.096 9.657 1.00 13.35 O ATOM 998 CB GLU A 63 8.898 -6.799 6.620 1.00 71.42 C ATOM 999 CG GLU A 63 8.810 -5.321 6.283 1.00 72.44 C ATOM 1000 CD GLU A 63 10.169 -4.682 6.088 1.00 45.22 C ATOM 1001 OE1 GLU A 63 10.798 -4.903 5.034 1.00 74.45 O ATOM 1002 OE2 GLU A 63 10.621 -3.954 6.995 1.00 1.31 O ATOM 0 H GLU A 63 6.604 -6.634 5.625 1.00 63.12 H new ATOM 0 HA GLU A 63 7.783 -8.432 7.448 1.00 22.54 H new ATOM 0 HB2 GLU A 63 9.757 -6.962 7.271 1.00 71.42 H new ATOM 0 HB3 GLU A 63 9.082 -7.360 5.703 1.00 71.42 H new ATOM 0 HG2 GLU A 63 8.220 -5.194 5.375 1.00 72.44 H new ATOM 0 HG3 GLU A 63 8.281 -4.802 7.082 1.00 72.44 H new ATOM 1009 N LEU A 64 6.603 -5.678 8.705 1.00 33.23 N ATOM 1010 CA LEU A 64 6.331 -4.956 9.937 1.00 15.10 C ATOM 1011 C LEU A 64 5.219 -5.638 10.723 1.00 1.35 C ATOM 1012 O LEU A 64 5.349 -5.885 11.923 1.00 51.35 O ATOM 1013 CB LEU A 64 5.947 -3.510 9.625 1.00 41.43 C ATOM 1014 CG LEU A 64 7.003 -2.720 8.854 1.00 11.43 C ATOM 1015 CD1 LEU A 64 6.467 -1.353 8.473 1.00 1.14 C ATOM 1016 CD2 LEU A 64 8.273 -2.581 9.680 1.00 74.22 C ATOM 0 H LEU A 64 6.088 -5.336 7.894 1.00 33.23 H new ATOM 0 HA LEU A 64 7.235 -4.958 10.546 1.00 15.10 H new ATOM 0 HB2 LEU A 64 5.021 -3.511 9.049 1.00 41.43 H new ATOM 0 HB3 LEU A 64 5.739 -2.994 10.562 1.00 41.43 H new ATOM 0 HG LEU A 64 7.243 -3.265 7.941 1.00 11.43 H new ATOM 0 HD11 LEU A 64 7.231 -0.803 7.924 1.00 1.14 H new ATOM 0 HD12 LEU A 64 5.584 -1.471 7.845 1.00 1.14 H new ATOM 0 HD13 LEU A 64 6.201 -0.802 9.375 1.00 1.14 H new ATOM 0 HD21 LEU A 64 9.014 -2.016 9.115 1.00 74.22 H new ATOM 0 HD22 LEU A 64 8.047 -2.057 10.609 1.00 74.22 H new ATOM 0 HD23 LEU A 64 8.669 -3.571 9.909 1.00 74.22 H new ATOM 1028 N ASN A 65 4.130 -5.949 10.039 1.00 0.14 N ATOM 1029 CA ASN A 65 2.996 -6.612 10.663 1.00 62.24 C ATOM 1030 C ASN A 65 2.493 -7.744 9.773 1.00 4.21 C ATOM 1031 O ASN A 65 1.847 -7.506 8.753 1.00 13.42 O ATOM 1032 CB ASN A 65 1.880 -5.600 10.944 1.00 35.23 C ATOM 1033 CG ASN A 65 0.633 -6.236 11.535 1.00 25.23 C ATOM 1034 OD1 ASN A 65 0.691 -7.297 12.157 1.00 71.23 O ATOM 1035 ND2 ASN A 65 -0.503 -5.572 11.370 1.00 42.04 N ATOM 0 H ASN A 65 4.007 -5.752 9.046 1.00 0.14 H new ATOM 0 HA ASN A 65 3.315 -7.041 11.613 1.00 62.24 H new ATOM 0 HB2 ASN A 65 2.252 -4.839 11.630 1.00 35.23 H new ATOM 0 HB3 ASN A 65 1.617 -5.092 10.016 1.00 35.23 H new ATOM 0 HD21 ASN A 65 -1.369 -5.938 11.765 1.00 42.04 H new ATOM 0 HD22 ASN A 65 -0.510 -4.696 10.848 1.00 42.04 H new ATOM 1042 N PRO A 66 2.802 -8.995 10.147 1.00 32.44 N ATOM 1043 CA PRO A 66 2.452 -10.179 9.351 1.00 32.33 C ATOM 1044 C PRO A 66 0.966 -10.524 9.412 1.00 70.22 C ATOM 1045 O PRO A 66 0.488 -11.375 8.662 1.00 43.34 O ATOM 1046 CB PRO A 66 3.281 -11.290 9.994 1.00 55.14 C ATOM 1047 CG PRO A 66 3.454 -10.858 11.408 1.00 71.32 C ATOM 1048 CD PRO A 66 3.536 -9.357 11.376 1.00 20.25 C ATOM 0 HA PRO A 66 2.655 -10.024 8.291 1.00 32.33 H new ATOM 0 HB2 PRO A 66 2.771 -12.251 9.933 1.00 55.14 H new ATOM 0 HB3 PRO A 66 4.243 -11.407 9.495 1.00 55.14 H new ATOM 0 HG2 PRO A 66 2.617 -11.190 12.022 1.00 71.32 H new ATOM 0 HG3 PRO A 66 4.357 -11.289 11.840 1.00 71.32 H new ATOM 0 HD2 PRO A 66 3.081 -8.912 12.261 1.00 20.25 H new ATOM 0 HD3 PRO A 66 4.570 -9.013 11.342 1.00 20.25 H new ATOM 1056 N ASP A 67 0.238 -9.868 10.305 1.00 63.23 N ATOM 1057 CA ASP A 67 -1.194 -10.105 10.436 1.00 35.55 C ATOM 1058 C ASP A 67 -1.980 -8.884 9.996 1.00 74.04 C ATOM 1059 O ASP A 67 -3.084 -8.627 10.473 1.00 61.04 O ATOM 1060 CB ASP A 67 -1.561 -10.497 11.868 1.00 53.34 C ATOM 1061 CG ASP A 67 -1.150 -11.916 12.198 1.00 74.32 C ATOM 1062 OD1 ASP A 67 -1.780 -12.864 11.677 1.00 72.12 O ATOM 1063 OD2 ASP A 67 -0.194 -12.096 12.977 1.00 13.14 O ATOM 0 H ASP A 67 0.613 -9.170 10.947 1.00 63.23 H new ATOM 0 HA ASP A 67 -1.457 -10.938 9.784 1.00 35.55 H new ATOM 0 HB2 ASP A 67 -1.080 -9.810 12.565 1.00 53.34 H new ATOM 0 HB3 ASP A 67 -2.637 -10.391 12.007 1.00 53.34 H new ATOM 1068 N SER A 68 -1.401 -8.142 9.066 1.00 50.13 N ATOM 1069 CA SER A 68 -2.056 -6.981 8.492 1.00 14.33 C ATOM 1070 C SER A 68 -2.932 -7.404 7.314 1.00 71.10 C ATOM 1071 O SER A 68 -2.758 -8.498 6.765 1.00 44.23 O ATOM 1072 CB SER A 68 -1.002 -5.968 8.032 1.00 13.41 C ATOM 1073 OG SER A 68 -0.077 -6.568 7.139 1.00 22.25 O ATOM 0 H SER A 68 -0.471 -8.327 8.691 1.00 50.13 H new ATOM 0 HA SER A 68 -2.689 -6.516 9.248 1.00 14.33 H new ATOM 0 HB2 SER A 68 -1.491 -5.125 7.543 1.00 13.41 H new ATOM 0 HB3 SER A 68 -0.472 -5.570 8.898 1.00 13.41 H new ATOM 0 HG SER A 68 0.781 -6.698 7.595 1.00 22.25 H new ATOM 1079 N PRO A 69 -3.892 -6.553 6.909 1.00 11.53 N ATOM 1080 CA PRO A 69 -4.711 -6.800 5.720 1.00 55.55 C ATOM 1081 C PRO A 69 -3.869 -6.786 4.444 1.00 50.52 C ATOM 1082 O PRO A 69 -4.316 -7.222 3.382 1.00 42.42 O ATOM 1083 CB PRO A 69 -5.717 -5.642 5.720 1.00 4.32 C ATOM 1084 CG PRO A 69 -5.093 -4.580 6.559 1.00 42.31 C ATOM 1085 CD PRO A 69 -4.271 -5.300 7.590 1.00 42.14 C ATOM 0 HA PRO A 69 -5.188 -7.780 5.744 1.00 55.55 H new ATOM 0 HB2 PRO A 69 -5.905 -5.284 4.708 1.00 4.32 H new ATOM 0 HB3 PRO A 69 -6.677 -5.955 6.131 1.00 4.32 H new ATOM 0 HG2 PRO A 69 -4.471 -3.920 5.955 1.00 42.31 H new ATOM 0 HG3 PRO A 69 -5.853 -3.958 7.031 1.00 42.31 H new ATOM 0 HD2 PRO A 69 -3.395 -4.721 7.882 1.00 42.14 H new ATOM 0 HD3 PRO A 69 -4.843 -5.493 8.497 1.00 42.14 H new ATOM 1093 N ALA A 70 -2.637 -6.296 4.568 1.00 63.02 N ATOM 1094 CA ALA A 70 -1.709 -6.235 3.448 1.00 3.01 C ATOM 1095 C ALA A 70 -1.348 -7.635 2.974 1.00 43.04 C ATOM 1096 O ALA A 70 -1.049 -7.845 1.800 1.00 44.42 O ATOM 1097 CB ALA A 70 -0.456 -5.466 3.843 1.00 1.34 C ATOM 0 H ALA A 70 -2.259 -5.933 5.443 1.00 63.02 H new ATOM 0 HA ALA A 70 -2.194 -5.711 2.625 1.00 3.01 H new ATOM 0 HB1 ALA A 70 0.230 -5.428 2.996 1.00 1.34 H new ATOM 0 HB2 ALA A 70 -0.728 -4.452 4.135 1.00 1.34 H new ATOM 0 HB3 ALA A 70 0.029 -5.967 4.681 1.00 1.34 H new ATOM 1103 N LEU A 71 -1.402 -8.591 3.898 1.00 14.33 N ATOM 1104 CA LEU A 71 -1.128 -9.989 3.584 1.00 3.11 C ATOM 1105 C LEU A 71 -2.131 -10.491 2.560 1.00 11.24 C ATOM 1106 O LEU A 71 -1.790 -11.172 1.591 1.00 51.51 O ATOM 1107 CB LEU A 71 -1.261 -10.848 4.840 1.00 71.02 C ATOM 1108 CG LEU A 71 -0.295 -12.029 4.916 1.00 75.21 C ATOM 1109 CD1 LEU A 71 1.119 -11.547 5.195 1.00 54.13 C ATOM 1110 CD2 LEU A 71 -0.750 -13.023 5.972 1.00 32.14 C ATOM 0 H LEU A 71 -1.635 -8.420 4.876 1.00 14.33 H new ATOM 0 HA LEU A 71 -0.114 -10.060 3.190 1.00 3.11 H new ATOM 0 HB2 LEU A 71 -1.107 -10.215 5.714 1.00 71.02 H new ATOM 0 HB3 LEU A 71 -2.281 -11.227 4.897 1.00 71.02 H new ATOM 0 HG LEU A 71 -0.294 -12.537 3.952 1.00 75.21 H new ATOM 0 HD11 LEU A 71 1.792 -12.403 5.245 1.00 54.13 H new ATOM 0 HD12 LEU A 71 1.440 -10.879 4.395 1.00 54.13 H new ATOM 0 HD13 LEU A 71 1.140 -11.012 6.145 1.00 54.13 H new ATOM 0 HD21 LEU A 71 -0.050 -13.857 6.012 1.00 32.14 H new ATOM 0 HD22 LEU A 71 -0.784 -12.531 6.944 1.00 32.14 H new ATOM 0 HD23 LEU A 71 -1.743 -13.394 5.718 1.00 32.14 H new ATOM 1122 N GLN A 72 -3.375 -10.124 2.800 1.00 31.23 N ATOM 1123 CA GLN A 72 -4.496 -10.571 1.999 1.00 74.35 C ATOM 1124 C GLN A 72 -4.458 -9.905 0.632 1.00 30.31 C ATOM 1125 O GLN A 72 -4.611 -10.562 -0.396 1.00 62.14 O ATOM 1126 CB GLN A 72 -5.786 -10.227 2.736 1.00 22.12 C ATOM 1127 CG GLN A 72 -5.737 -10.599 4.211 1.00 73.41 C ATOM 1128 CD GLN A 72 -5.950 -12.078 4.459 1.00 72.23 C ATOM 1129 OE1 GLN A 72 -7.081 -12.538 4.618 1.00 33.42 O ATOM 1130 NE2 GLN A 72 -4.864 -12.830 4.519 1.00 74.43 N ATOM 0 H GLN A 72 -3.637 -9.501 3.564 1.00 31.23 H new ATOM 0 HA GLN A 72 -4.444 -11.649 1.846 1.00 74.35 H new ATOM 0 HB2 GLN A 72 -5.980 -9.159 2.641 1.00 22.12 H new ATOM 0 HB3 GLN A 72 -6.620 -10.745 2.262 1.00 22.12 H new ATOM 0 HG2 GLN A 72 -4.772 -10.303 4.622 1.00 73.41 H new ATOM 0 HG3 GLN A 72 -6.499 -10.033 4.748 1.00 73.41 H new ATOM 0 HE21 GLN A 72 -3.945 -12.410 4.382 1.00 74.43 H new ATOM 0 HE22 GLN A 72 -4.946 -13.830 4.703 1.00 74.43 H new ATOM 1139 N ALA A 73 -4.224 -8.600 0.633 1.00 60.32 N ATOM 1140 CA ALA A 73 -4.082 -7.847 -0.604 1.00 54.41 C ATOM 1141 C ALA A 73 -2.931 -8.403 -1.437 1.00 72.31 C ATOM 1142 O ALA A 73 -3.096 -8.683 -2.620 1.00 24.21 O ATOM 1143 CB ALA A 73 -3.866 -6.374 -0.304 1.00 50.11 C ATOM 0 H ALA A 73 -4.128 -8.040 1.480 1.00 60.32 H new ATOM 0 HA ALA A 73 -5.001 -7.948 -1.181 1.00 54.41 H new ATOM 0 HB1 ALA A 73 -3.761 -5.824 -1.239 1.00 50.11 H new ATOM 0 HB2 ALA A 73 -4.720 -5.987 0.251 1.00 50.11 H new ATOM 0 HB3 ALA A 73 -2.961 -6.253 0.291 1.00 50.11 H new ATOM 1149 N ARG A 74 -1.778 -8.584 -0.797 1.00 23.55 N ATOM 1150 CA ARG A 74 -0.601 -9.169 -1.441 1.00 44.01 C ATOM 1151 C ARG A 74 -0.951 -10.485 -2.139 1.00 53.13 C ATOM 1152 O ARG A 74 -0.567 -10.713 -3.287 1.00 11.41 O ATOM 1153 CB ARG A 74 0.486 -9.405 -0.382 1.00 43.01 C ATOM 1154 CG ARG A 74 1.661 -10.256 -0.845 1.00 12.35 C ATOM 1155 CD ARG A 74 2.625 -9.492 -1.741 1.00 14.42 C ATOM 1156 NE ARG A 74 3.757 -10.332 -2.129 1.00 10.41 N ATOM 1157 CZ ARG A 74 4.981 -9.885 -2.413 1.00 64.51 C ATOM 1158 NH1 ARG A 74 5.252 -8.584 -2.401 1.00 11.25 N ATOM 1159 NH2 ARG A 74 5.937 -10.751 -2.712 1.00 65.25 N ATOM 0 H ARG A 74 -1.632 -8.331 0.180 1.00 23.55 H new ATOM 0 HA ARG A 74 -0.235 -8.477 -2.200 1.00 44.01 H new ATOM 0 HB2 ARG A 74 0.865 -8.438 -0.050 1.00 43.01 H new ATOM 0 HB3 ARG A 74 0.030 -9.883 0.485 1.00 43.01 H new ATOM 0 HG2 ARG A 74 2.200 -10.629 0.026 1.00 12.35 H new ATOM 0 HG3 ARG A 74 1.284 -11.126 -1.383 1.00 12.35 H new ATOM 0 HD2 ARG A 74 2.102 -9.146 -2.632 1.00 14.42 H new ATOM 0 HD3 ARG A 74 2.987 -8.606 -1.220 1.00 14.42 H new ATOM 0 HE ARG A 74 3.598 -11.338 -2.187 1.00 10.41 H new ATOM 0 HH11 ARG A 74 4.519 -7.912 -2.172 1.00 11.25 H new ATOM 0 HH12 ARG A 74 6.193 -8.257 -2.620 1.00 11.25 H new ATOM 0 HH21 ARG A 74 5.734 -11.751 -2.724 1.00 65.25 H new ATOM 0 HH22 ARG A 74 6.876 -10.419 -2.931 1.00 65.25 H new ATOM 1173 N LYS A 75 -1.697 -11.331 -1.446 1.00 10.22 N ATOM 1174 CA LYS A 75 -2.058 -12.643 -1.964 1.00 30.44 C ATOM 1175 C LYS A 75 -3.071 -12.532 -3.103 1.00 15.25 C ATOM 1176 O LYS A 75 -2.961 -13.229 -4.118 1.00 71.02 O ATOM 1177 CB LYS A 75 -2.615 -13.507 -0.828 1.00 75.24 C ATOM 1178 CG LYS A 75 -2.970 -14.928 -1.239 1.00 35.41 C ATOM 1179 CD LYS A 75 -2.323 -15.951 -0.316 1.00 71.31 C ATOM 1180 CE LYS A 75 -0.806 -15.949 -0.451 1.00 61.41 C ATOM 1181 NZ LYS A 75 -0.361 -16.456 -1.776 1.00 50.41 N ATOM 0 H LYS A 75 -2.067 -11.131 -0.517 1.00 10.22 H new ATOM 0 HA LYS A 75 -1.162 -13.114 -2.369 1.00 30.44 H new ATOM 0 HB2 LYS A 75 -1.880 -13.547 -0.024 1.00 75.24 H new ATOM 0 HB3 LYS A 75 -3.505 -13.025 -0.423 1.00 75.24 H new ATOM 0 HG2 LYS A 75 -4.053 -15.054 -1.222 1.00 35.41 H new ATOM 0 HG3 LYS A 75 -2.645 -15.104 -2.264 1.00 35.41 H new ATOM 0 HD2 LYS A 75 -2.597 -15.735 0.717 1.00 71.31 H new ATOM 0 HD3 LYS A 75 -2.708 -16.944 -0.547 1.00 71.31 H new ATOM 0 HE2 LYS A 75 -0.431 -14.936 -0.307 1.00 61.41 H new ATOM 0 HE3 LYS A 75 -0.372 -16.565 0.337 1.00 61.41 H new ATOM 0 HZ1 LYS A 75 0.667 -16.614 -1.760 1.00 50.41 H new ATOM 0 HZ2 LYS A 75 -0.845 -17.352 -1.985 1.00 50.41 H new ATOM 0 HZ3 LYS A 75 -0.593 -15.757 -2.511 1.00 50.41 H new ATOM 1195 N MET A 76 -4.042 -11.641 -2.944 1.00 70.14 N ATOM 1196 CA MET A 76 -5.103 -11.490 -3.932 1.00 32.21 C ATOM 1197 C MET A 76 -4.564 -10.855 -5.216 1.00 33.12 C ATOM 1198 O MET A 76 -4.985 -11.221 -6.314 1.00 43.11 O ATOM 1199 CB MET A 76 -6.281 -10.684 -3.346 1.00 74.33 C ATOM 1200 CG MET A 76 -6.173 -9.177 -3.509 1.00 31.05 C ATOM 1201 SD MET A 76 -6.838 -8.613 -5.085 1.00 54.30 S ATOM 1202 CE MET A 76 -6.199 -6.947 -5.144 1.00 60.42 C ATOM 0 H MET A 76 -4.117 -11.014 -2.143 1.00 70.14 H new ATOM 0 HA MET A 76 -5.479 -12.480 -4.192 1.00 32.21 H new ATOM 0 HB2 MET A 76 -7.203 -11.020 -3.820 1.00 74.33 H new ATOM 0 HB3 MET A 76 -6.366 -10.914 -2.284 1.00 74.33 H new ATOM 0 HG2 MET A 76 -6.707 -8.686 -2.695 1.00 31.05 H new ATOM 0 HG3 MET A 76 -5.128 -8.879 -3.430 1.00 31.05 H new ATOM 0 HE1 MET A 76 -7.018 -6.239 -5.018 1.00 60.42 H new ATOM 0 HE2 MET A 76 -5.472 -6.808 -4.344 1.00 60.42 H new ATOM 0 HE3 MET A 76 -5.717 -6.776 -6.106 1.00 60.42 H new ATOM 1212 N VAL A 77 -3.610 -9.932 -5.078 1.00 32.45 N ATOM 1213 CA VAL A 77 -2.989 -9.302 -6.238 1.00 72.12 C ATOM 1214 C VAL A 77 -2.227 -10.338 -7.052 1.00 33.00 C ATOM 1215 O VAL A 77 -2.327 -10.371 -8.276 1.00 64.51 O ATOM 1216 CB VAL A 77 -2.026 -8.156 -5.841 1.00 65.45 C ATOM 1217 CG1 VAL A 77 -1.311 -7.606 -7.064 1.00 20.13 C ATOM 1218 CG2 VAL A 77 -2.768 -7.038 -5.121 1.00 74.51 C ATOM 0 H VAL A 77 -3.254 -9.608 -4.179 1.00 32.45 H new ATOM 0 HA VAL A 77 -3.793 -8.872 -6.835 1.00 72.12 H new ATOM 0 HB VAL A 77 -1.284 -8.570 -5.158 1.00 65.45 H new ATOM 0 HG11 VAL A 77 -0.640 -6.802 -6.762 1.00 20.13 H new ATOM 0 HG12 VAL A 77 -0.735 -8.401 -7.537 1.00 20.13 H new ATOM 0 HG13 VAL A 77 -2.045 -7.220 -7.771 1.00 20.13 H new ATOM 0 HG21 VAL A 77 -2.066 -6.248 -4.855 1.00 74.51 H new ATOM 0 HG22 VAL A 77 -3.539 -6.633 -5.776 1.00 74.51 H new ATOM 0 HG23 VAL A 77 -3.231 -7.432 -4.216 1.00 74.51 H new ATOM 1228 N MET A 78 -1.481 -11.195 -6.359 1.00 72.25 N ATOM 1229 CA MET A 78 -0.716 -12.257 -7.010 1.00 21.51 C ATOM 1230 C MET A 78 -1.609 -13.123 -7.890 1.00 43.40 C ATOM 1231 O MET A 78 -1.265 -13.430 -9.033 1.00 70.41 O ATOM 1232 CB MET A 78 -0.020 -13.135 -5.971 1.00 11.51 C ATOM 1233 CG MET A 78 1.173 -12.471 -5.315 1.00 41.01 C ATOM 1234 SD MET A 78 2.444 -12.010 -6.506 1.00 0.53 S ATOM 1235 CE MET A 78 3.708 -11.381 -5.413 1.00 63.23 C ATOM 0 H MET A 78 -1.390 -11.175 -5.343 1.00 72.25 H new ATOM 0 HA MET A 78 0.035 -11.779 -7.639 1.00 21.51 H new ATOM 0 HB2 MET A 78 -0.740 -13.412 -5.201 1.00 11.51 H new ATOM 0 HB3 MET A 78 0.306 -14.059 -6.449 1.00 11.51 H new ATOM 0 HG2 MET A 78 0.841 -11.582 -4.779 1.00 41.01 H new ATOM 0 HG3 MET A 78 1.601 -13.148 -4.575 1.00 41.01 H new ATOM 0 HE1 MET A 78 4.431 -10.802 -5.988 1.00 63.23 H new ATOM 0 HE2 MET A 78 3.251 -10.743 -4.657 1.00 63.23 H new ATOM 0 HE3 MET A 78 4.215 -12.214 -4.926 1.00 63.23 H new ATOM 1245 N ASP A 79 -2.756 -13.510 -7.353 1.00 62.14 N ATOM 1246 CA ASP A 79 -3.704 -14.336 -8.100 1.00 52.42 C ATOM 1247 C ASP A 79 -4.248 -13.580 -9.312 1.00 11.40 C ATOM 1248 O ASP A 79 -4.399 -14.146 -10.395 1.00 12.01 O ATOM 1249 CB ASP A 79 -4.857 -14.785 -7.198 1.00 25.22 C ATOM 1250 CG ASP A 79 -5.803 -15.738 -7.903 1.00 41.42 C ATOM 1251 OD1 ASP A 79 -5.521 -16.958 -7.917 1.00 2.23 O ATOM 1252 OD2 ASP A 79 -6.833 -15.275 -8.438 1.00 13.14 O ATOM 0 H ASP A 79 -3.056 -13.269 -6.408 1.00 62.14 H new ATOM 0 HA ASP A 79 -3.173 -15.220 -8.454 1.00 52.42 H new ATOM 0 HB2 ASP A 79 -4.452 -15.270 -6.309 1.00 25.22 H new ATOM 0 HB3 ASP A 79 -5.412 -13.910 -6.859 1.00 25.22 H new ATOM 1257 N ILE A 80 -4.527 -12.294 -9.127 1.00 65.10 N ATOM 1258 CA ILE A 80 -5.010 -11.448 -10.215 1.00 30.22 C ATOM 1259 C ILE A 80 -3.940 -11.280 -11.297 1.00 1.11 C ATOM 1260 O ILE A 80 -4.241 -11.295 -12.490 1.00 65.10 O ATOM 1261 CB ILE A 80 -5.470 -10.064 -9.693 1.00 35.12 C ATOM 1262 CG1 ILE A 80 -6.742 -10.216 -8.855 1.00 43.41 C ATOM 1263 CG2 ILE A 80 -5.702 -9.095 -10.840 1.00 60.24 C ATOM 1264 CD1 ILE A 80 -7.338 -8.900 -8.402 1.00 54.13 C ATOM 0 H ILE A 80 -4.427 -11.813 -8.233 1.00 65.10 H new ATOM 0 HA ILE A 80 -5.873 -11.947 -10.657 1.00 30.22 H new ATOM 0 HB ILE A 80 -4.678 -9.655 -9.065 1.00 35.12 H new ATOM 0 HG12 ILE A 80 -7.486 -10.760 -9.437 1.00 43.41 H new ATOM 0 HG13 ILE A 80 -6.517 -10.823 -7.978 1.00 43.41 H new ATOM 0 HG21 ILE A 80 -6.024 -8.132 -10.443 1.00 60.24 H new ATOM 0 HG22 ILE A 80 -4.776 -8.965 -11.400 1.00 60.24 H new ATOM 0 HG23 ILE A 80 -6.473 -9.491 -11.501 1.00 60.24 H new ATOM 0 HD11 ILE A 80 -8.236 -9.090 -7.814 1.00 54.13 H new ATOM 0 HD12 ILE A 80 -6.612 -8.363 -7.792 1.00 54.13 H new ATOM 0 HD13 ILE A 80 -7.596 -8.298 -9.273 1.00 54.13 H new ATOM 1276 N LEU A 81 -2.691 -11.139 -10.875 1.00 40.42 N ATOM 1277 CA LEU A 81 -1.575 -11.047 -11.811 1.00 52.44 C ATOM 1278 C LEU A 81 -1.400 -12.346 -12.584 1.00 43.14 C ATOM 1279 O LEU A 81 -1.065 -12.329 -13.763 1.00 3.25 O ATOM 1280 CB LEU A 81 -0.284 -10.698 -11.079 1.00 60.52 C ATOM 1281 CG LEU A 81 -0.223 -9.276 -10.539 1.00 1.20 C ATOM 1282 CD1 LEU A 81 1.046 -9.079 -9.747 1.00 53.44 C ATOM 1283 CD2 LEU A 81 -0.289 -8.273 -11.676 1.00 32.10 C ATOM 0 H LEU A 81 -2.423 -11.086 -9.892 1.00 40.42 H new ATOM 0 HA LEU A 81 -1.803 -10.252 -12.521 1.00 52.44 H new ATOM 0 HB2 LEU A 81 -0.153 -11.393 -10.249 1.00 60.52 H new ATOM 0 HB3 LEU A 81 0.555 -10.851 -11.758 1.00 60.52 H new ATOM 0 HG LEU A 81 -1.079 -9.115 -9.884 1.00 1.20 H new ATOM 0 HD11 LEU A 81 1.081 -8.059 -9.364 1.00 53.44 H new ATOM 0 HD12 LEU A 81 1.067 -9.780 -8.913 1.00 53.44 H new ATOM 0 HD13 LEU A 81 1.908 -9.255 -10.391 1.00 53.44 H new ATOM 0 HD21 LEU A 81 -0.244 -7.262 -11.272 1.00 32.10 H new ATOM 0 HD22 LEU A 81 0.552 -8.432 -12.351 1.00 32.10 H new ATOM 0 HD23 LEU A 81 -1.223 -8.404 -12.223 1.00 32.10 H new ATOM 1295 N ASN A 82 -1.639 -13.468 -11.918 1.00 74.31 N ATOM 1296 CA ASN A 82 -1.583 -14.771 -12.573 1.00 43.13 C ATOM 1297 C ASN A 82 -2.657 -14.847 -13.654 1.00 61.01 C ATOM 1298 O ASN A 82 -2.494 -15.523 -14.669 1.00 53.53 O ATOM 1299 CB ASN A 82 -1.781 -15.895 -11.548 1.00 34.42 C ATOM 1300 CG ASN A 82 -1.505 -17.273 -12.121 1.00 40.25 C ATOM 1301 OD1 ASN A 82 -0.379 -17.766 -12.061 1.00 62.12 O ATOM 1302 ND2 ASN A 82 -2.531 -17.913 -12.663 1.00 30.52 N ATOM 0 H ASN A 82 -1.873 -13.504 -10.926 1.00 74.31 H new ATOM 0 HA ASN A 82 -0.602 -14.895 -13.033 1.00 43.13 H new ATOM 0 HB2 ASN A 82 -1.123 -15.723 -10.696 1.00 34.42 H new ATOM 0 HB3 ASN A 82 -2.804 -15.861 -11.173 1.00 34.42 H new ATOM 0 HD21 ASN A 82 -2.402 -18.848 -13.049 1.00 30.52 H new ATOM 0 HD22 ASN A 82 -3.449 -17.470 -12.694 1.00 30.52 H new ATOM 1309 N PHE A 83 -3.755 -14.139 -13.416 1.00 23.23 N ATOM 1310 CA PHE A 83 -4.855 -14.057 -14.368 1.00 43.41 C ATOM 1311 C PHE A 83 -4.499 -13.123 -15.528 1.00 72.25 C ATOM 1312 O PHE A 83 -4.788 -13.423 -16.687 1.00 32.32 O ATOM 1313 CB PHE A 83 -6.121 -13.570 -13.654 1.00 14.41 C ATOM 1314 CG PHE A 83 -7.319 -13.417 -14.549 1.00 23.31 C ATOM 1315 CD1 PHE A 83 -8.040 -14.525 -14.961 1.00 3.21 C ATOM 1316 CD2 PHE A 83 -7.729 -12.162 -14.968 1.00 41.33 C ATOM 1317 CE1 PHE A 83 -9.146 -14.384 -15.777 1.00 61.03 C ATOM 1318 CE2 PHE A 83 -8.832 -12.015 -15.785 1.00 21.13 C ATOM 1319 CZ PHE A 83 -9.544 -13.127 -16.188 1.00 74.11 C ATOM 0 H PHE A 83 -3.907 -13.607 -12.559 1.00 23.23 H new ATOM 0 HA PHE A 83 -5.039 -15.049 -14.780 1.00 43.41 H new ATOM 0 HB2 PHE A 83 -6.366 -14.271 -12.856 1.00 14.41 H new ATOM 0 HB3 PHE A 83 -5.911 -12.610 -13.182 1.00 14.41 H new ATOM 0 HD1 PHE A 83 -7.734 -15.510 -14.641 1.00 3.21 H new ATOM 0 HD2 PHE A 83 -7.179 -11.288 -14.652 1.00 41.33 H new ATOM 0 HE1 PHE A 83 -9.699 -15.256 -16.093 1.00 61.03 H new ATOM 0 HE2 PHE A 83 -9.138 -11.031 -16.109 1.00 21.13 H new ATOM 0 HZ PHE A 83 -10.410 -13.014 -16.823 1.00 74.11 H new ATOM 1329 N TYR A 84 -3.864 -11.997 -15.209 1.00 41.34 N ATOM 1330 CA TYR A 84 -3.479 -11.016 -16.222 1.00 55.13 C ATOM 1331 C TYR A 84 -2.143 -11.371 -16.872 1.00 41.05 C ATOM 1332 O TYR A 84 -2.087 -12.095 -17.870 1.00 41.00 O ATOM 1333 CB TYR A 84 -3.369 -9.611 -15.618 1.00 73.24 C ATOM 1334 CG TYR A 84 -4.679 -8.975 -15.210 1.00 41.43 C ATOM 1335 CD1 TYR A 84 -5.842 -9.182 -15.942 1.00 5.31 C ATOM 1336 CD2 TYR A 84 -4.739 -8.133 -14.108 1.00 60.23 C ATOM 1337 CE1 TYR A 84 -7.029 -8.569 -15.584 1.00 70.24 C ATOM 1338 CE2 TYR A 84 -5.924 -7.521 -13.742 1.00 55.22 C ATOM 1339 CZ TYR A 84 -7.064 -7.741 -14.483 1.00 41.14 C ATOM 1340 OH TYR A 84 -8.246 -7.123 -14.126 1.00 73.41 O ATOM 0 H TYR A 84 -3.605 -11.741 -14.256 1.00 41.34 H new ATOM 0 HA TYR A 84 -4.262 -11.031 -16.980 1.00 55.13 H new ATOM 0 HB2 TYR A 84 -2.721 -9.660 -14.743 1.00 73.24 H new ATOM 0 HB3 TYR A 84 -2.879 -8.960 -16.342 1.00 73.24 H new ATOM 0 HD1 TYR A 84 -5.819 -9.832 -16.804 1.00 5.31 H new ATOM 0 HD2 TYR A 84 -3.846 -7.953 -13.527 1.00 60.23 H new ATOM 0 HE1 TYR A 84 -7.924 -8.738 -16.164 1.00 70.24 H new ATOM 0 HE2 TYR A 84 -5.955 -6.873 -12.879 1.00 55.22 H new ATOM 0 HH TYR A 84 -8.100 -6.575 -13.327 1.00 73.41 H new ATOM 1350 N ASN A 85 -1.074 -10.850 -16.292 1.00 22.32 N ATOM 1351 CA ASN A 85 0.268 -11.028 -16.820 1.00 42.05 C ATOM 1352 C ASN A 85 1.171 -11.690 -15.782 1.00 54.22 C ATOM 1353 O ASN A 85 1.683 -11.051 -14.861 1.00 23.11 O ATOM 1354 CB ASN A 85 0.847 -9.682 -17.300 1.00 4.22 C ATOM 1355 CG ASN A 85 0.795 -8.570 -16.256 1.00 54.54 C ATOM 1356 OD1 ASN A 85 -0.052 -8.565 -15.360 1.00 13.33 O ATOM 1357 ND2 ASN A 85 1.684 -7.596 -16.385 1.00 1.51 N ATOM 0 H ASN A 85 -1.113 -10.291 -15.440 1.00 22.32 H new ATOM 0 HA ASN A 85 0.217 -11.691 -17.684 1.00 42.05 H new ATOM 0 HB2 ASN A 85 1.883 -9.832 -17.603 1.00 4.22 H new ATOM 0 HB3 ASN A 85 0.300 -9.359 -18.186 1.00 4.22 H new ATOM 0 HD21 ASN A 85 1.680 -6.812 -15.732 1.00 1.51 H new ATOM 0 HD22 ASN A 85 2.372 -7.630 -17.137 1.00 1.51 H new ATOM 1364 N LYS A 86 1.362 -12.988 -15.954 1.00 22.22 N ATOM 1365 CA LYS A 86 2.065 -13.813 -14.983 1.00 61.22 C ATOM 1366 C LYS A 86 3.578 -13.571 -15.017 1.00 1.23 C ATOM 1367 O LYS A 86 4.304 -13.975 -14.106 1.00 4.10 O ATOM 1368 CB LYS A 86 1.752 -15.288 -15.259 1.00 71.43 C ATOM 1369 CG LYS A 86 2.479 -16.255 -14.343 1.00 11.33 C ATOM 1370 CD LYS A 86 2.180 -17.697 -14.701 1.00 34.55 C ATOM 1371 CE LYS A 86 3.065 -18.650 -13.921 1.00 73.44 C ATOM 1372 NZ LYS A 86 2.776 -20.066 -14.264 1.00 62.54 N ATOM 0 H LYS A 86 1.034 -13.501 -16.772 1.00 22.22 H new ATOM 0 HA LYS A 86 1.721 -13.541 -13.985 1.00 61.22 H new ATOM 0 HB2 LYS A 86 0.678 -15.446 -15.158 1.00 71.43 H new ATOM 0 HB3 LYS A 86 2.012 -15.517 -16.292 1.00 71.43 H new ATOM 0 HG2 LYS A 86 3.553 -16.079 -14.407 1.00 11.33 H new ATOM 0 HG3 LYS A 86 2.186 -16.068 -13.310 1.00 11.33 H new ATOM 0 HD2 LYS A 86 1.133 -17.916 -14.493 1.00 34.55 H new ATOM 0 HD3 LYS A 86 2.331 -17.848 -15.770 1.00 34.55 H new ATOM 0 HE2 LYS A 86 4.112 -18.430 -14.131 1.00 73.44 H new ATOM 0 HE3 LYS A 86 2.915 -18.495 -12.853 1.00 73.44 H new ATOM 0 HZ1 LYS A 86 3.399 -20.691 -13.713 1.00 62.54 H new ATOM 0 HZ2 LYS A 86 1.783 -20.282 -14.041 1.00 62.54 H new ATOM 0 HZ3 LYS A 86 2.943 -20.218 -15.279 1.00 62.54 H new ATOM 1386 N ASP A 87 4.047 -12.878 -16.041 1.00 53.31 N ATOM 1387 CA ASP A 87 5.480 -12.669 -16.218 1.00 12.20 C ATOM 1388 C ASP A 87 6.036 -11.815 -15.090 1.00 1.32 C ATOM 1389 O ASP A 87 6.999 -12.191 -14.422 1.00 0.21 O ATOM 1390 CB ASP A 87 5.772 -12.018 -17.568 1.00 44.31 C ATOM 1391 CG ASP A 87 7.211 -11.561 -17.683 1.00 24.42 C ATOM 1392 OD1 ASP A 87 8.094 -12.405 -17.947 1.00 13.02 O ATOM 1393 OD2 ASP A 87 7.464 -10.354 -17.497 1.00 65.32 O ATOM 0 H ASP A 87 3.463 -12.451 -16.760 1.00 53.31 H new ATOM 0 HA ASP A 87 5.970 -13.642 -16.194 1.00 12.20 H new ATOM 0 HB2 ASP A 87 5.553 -12.727 -18.366 1.00 44.31 H new ATOM 0 HB3 ASP A 87 5.109 -11.164 -17.709 1.00 44.31 H new ATOM 1398 N MET A 88 5.399 -10.682 -14.851 1.00 10.34 N ATOM 1399 CA MET A 88 5.804 -9.807 -13.762 1.00 13.41 C ATOM 1400 C MET A 88 5.428 -10.416 -12.413 1.00 72.30 C ATOM 1401 O MET A 88 5.895 -9.970 -11.368 1.00 74.11 O ATOM 1402 CB MET A 88 5.175 -8.424 -13.903 1.00 41.13 C ATOM 1403 CG MET A 88 3.663 -8.452 -13.992 1.00 1.14 C ATOM 1404 SD MET A 88 2.914 -6.997 -13.251 1.00 53.23 S ATOM 1405 CE MET A 88 3.433 -7.237 -11.557 1.00 24.11 C ATOM 0 H MET A 88 4.603 -10.346 -15.393 1.00 10.34 H new ATOM 0 HA MET A 88 6.887 -9.698 -13.811 1.00 13.41 H new ATOM 0 HB2 MET A 88 5.469 -7.812 -13.051 1.00 41.13 H new ATOM 0 HB3 MET A 88 5.574 -7.942 -14.795 1.00 41.13 H new ATOM 0 HG2 MET A 88 3.363 -8.520 -15.038 1.00 1.14 H new ATOM 0 HG3 MET A 88 3.288 -9.346 -13.494 1.00 1.14 H new ATOM 0 HE1 MET A 88 2.601 -7.018 -10.887 1.00 24.11 H new ATOM 0 HE2 MET A 88 3.750 -8.270 -11.417 1.00 24.11 H new ATOM 0 HE3 MET A 88 4.265 -6.569 -11.333 1.00 24.11 H new ATOM 1415 N TYR A 89 4.587 -11.444 -12.442 1.00 55.23 N ATOM 1416 CA TYR A 89 4.191 -12.138 -11.229 1.00 25.04 C ATOM 1417 C TYR A 89 5.291 -13.102 -10.787 1.00 54.11 C ATOM 1418 O TYR A 89 5.771 -13.041 -9.654 1.00 14.02 O ATOM 1419 CB TYR A 89 2.864 -12.880 -11.462 1.00 3.14 C ATOM 1420 CG TYR A 89 2.647 -14.076 -10.560 1.00 44.03 C ATOM 1421 CD1 TYR A 89 2.288 -13.924 -9.229 1.00 33.22 C ATOM 1422 CD2 TYR A 89 2.812 -15.365 -11.050 1.00 33.52 C ATOM 1423 CE1 TYR A 89 2.104 -15.023 -8.409 1.00 63.24 C ATOM 1424 CE2 TYR A 89 2.633 -16.468 -10.238 1.00 73.11 C ATOM 1425 CZ TYR A 89 2.277 -16.292 -8.920 1.00 30.11 C ATOM 1426 OH TYR A 89 2.107 -17.391 -8.107 1.00 21.43 O ATOM 0 H TYR A 89 4.167 -11.813 -13.295 1.00 55.23 H new ATOM 0 HA TYR A 89 4.042 -11.411 -10.431 1.00 25.04 H new ATOM 0 HB2 TYR A 89 2.041 -12.180 -11.320 1.00 3.14 H new ATOM 0 HB3 TYR A 89 2.825 -13.212 -12.500 1.00 3.14 H new ATOM 0 HD1 TYR A 89 2.150 -12.932 -8.826 1.00 33.22 H new ATOM 0 HD2 TYR A 89 3.085 -15.508 -12.085 1.00 33.52 H new ATOM 0 HE1 TYR A 89 1.826 -14.888 -7.374 1.00 63.24 H new ATOM 0 HE2 TYR A 89 2.772 -17.463 -10.635 1.00 73.11 H new ATOM 0 HH TYR A 89 2.265 -18.208 -8.624 1.00 21.43 H new ATOM 1436 N ASN A 90 5.716 -13.968 -11.700 1.00 73.10 N ATOM 1437 CA ASN A 90 6.687 -15.002 -11.361 1.00 0.45 C ATOM 1438 C ASN A 90 8.120 -14.480 -11.431 1.00 24.45 C ATOM 1439 O ASN A 90 9.070 -15.228 -11.207 1.00 1.32 O ATOM 1440 CB ASN A 90 6.524 -16.242 -12.255 1.00 30.13 C ATOM 1441 CG ASN A 90 7.211 -16.137 -13.609 1.00 22.24 C ATOM 1442 OD1 ASN A 90 7.769 -17.118 -14.096 1.00 31.12 O ATOM 1443 ND2 ASN A 90 7.151 -14.979 -14.244 1.00 52.10 N ATOM 0 H ASN A 90 5.407 -13.976 -12.672 1.00 73.10 H new ATOM 0 HA ASN A 90 6.487 -15.295 -10.330 1.00 0.45 H new ATOM 0 HB2 ASN A 90 6.920 -17.110 -11.727 1.00 30.13 H new ATOM 0 HB3 ASN A 90 5.461 -16.423 -12.414 1.00 30.13 H new ATOM 0 HD21 ASN A 90 7.575 -14.880 -15.166 1.00 52.10 H new ATOM 0 HD22 ASN A 90 6.680 -14.184 -13.812 1.00 52.10 H new ATOM 1450 N GLN A 91 8.283 -13.201 -11.743 1.00 31.35 N ATOM 1451 CA GLN A 91 9.606 -12.596 -11.684 1.00 54.14 C ATOM 1452 C GLN A 91 9.928 -12.262 -10.234 1.00 43.31 C ATOM 1453 O GLN A 91 11.089 -12.220 -9.830 1.00 53.33 O ATOM 1454 CB GLN A 91 9.697 -11.344 -12.563 1.00 0.24 C ATOM 1455 CG GLN A 91 8.995 -10.121 -11.996 1.00 45.11 C ATOM 1456 CD GLN A 91 9.118 -8.904 -12.891 1.00 2.52 C ATOM 1457 OE1 GLN A 91 9.179 -7.775 -12.410 1.00 34.21 O ATOM 1458 NE2 GLN A 91 9.143 -9.121 -14.198 1.00 22.42 N ATOM 0 H GLN A 91 7.533 -12.574 -12.034 1.00 31.35 H new ATOM 0 HA GLN A 91 10.336 -13.307 -12.071 1.00 54.14 H new ATOM 0 HB2 GLN A 91 10.748 -11.103 -12.721 1.00 0.24 H new ATOM 0 HB3 GLN A 91 9.271 -11.571 -13.541 1.00 0.24 H new ATOM 0 HG2 GLN A 91 7.940 -10.351 -11.846 1.00 45.11 H new ATOM 0 HG3 GLN A 91 9.413 -9.889 -11.016 1.00 45.11 H new ATOM 0 HE21 GLN A 91 9.090 -10.074 -14.558 1.00 22.42 H new ATOM 0 HE22 GLN A 91 9.215 -8.335 -14.844 1.00 22.42 H new ATOM 1467 N LEU A 92 8.874 -12.031 -9.461 1.00 64.40 N ATOM 1468 CA LEU A 92 8.996 -11.835 -8.027 1.00 60.11 C ATOM 1469 C LEU A 92 9.097 -13.186 -7.339 1.00 33.05 C ATOM 1470 O LEU A 92 10.138 -13.545 -6.789 1.00 52.13 O ATOM 1471 CB LEU A 92 7.793 -11.057 -7.487 1.00 52.42 C ATOM 1472 CG LEU A 92 7.605 -9.655 -8.063 1.00 73.51 C ATOM 1473 CD1 LEU A 92 6.362 -9.011 -7.473 1.00 64.24 C ATOM 1474 CD2 LEU A 92 8.829 -8.794 -7.788 1.00 63.25 C ATOM 0 H LEU A 92 7.917 -11.975 -9.810 1.00 64.40 H new ATOM 0 HA LEU A 92 9.897 -11.256 -7.823 1.00 60.11 H new ATOM 0 HB2 LEU A 92 6.890 -11.636 -7.683 1.00 52.42 H new ATOM 0 HB3 LEU A 92 7.891 -10.976 -6.404 1.00 52.42 H new ATOM 0 HG LEU A 92 7.480 -9.737 -9.143 1.00 73.51 H new ATOM 0 HD11 LEU A 92 6.237 -8.012 -7.890 1.00 64.24 H new ATOM 0 HD12 LEU A 92 5.489 -9.617 -7.715 1.00 64.24 H new ATOM 0 HD13 LEU A 92 6.467 -8.942 -6.390 1.00 64.24 H new ATOM 0 HD21 LEU A 92 8.675 -7.799 -8.206 1.00 63.25 H new ATOM 0 HD22 LEU A 92 8.984 -8.715 -6.712 1.00 63.25 H new ATOM 0 HD23 LEU A 92 9.705 -9.250 -8.249 1.00 63.25 H new ATOM 1486 N GLU A 93 8.015 -13.943 -7.395 1.00 44.14 N ATOM 1487 CA GLU A 93 8.010 -15.293 -6.860 1.00 3.14 C ATOM 1488 C GLU A 93 7.729 -16.309 -7.952 1.00 61.42 C ATOM 1489 O GLU A 93 6.576 -16.587 -8.291 1.00 34.02 O ATOM 1490 CB GLU A 93 7.006 -15.455 -5.716 1.00 2.00 C ATOM 1491 CG GLU A 93 7.493 -14.878 -4.399 1.00 62.21 C ATOM 1492 CD GLU A 93 6.719 -15.412 -3.213 1.00 3.21 C ATOM 1493 OE1 GLU A 93 6.871 -16.612 -2.892 1.00 31.23 O ATOM 1494 OE2 GLU A 93 5.959 -14.636 -2.593 1.00 52.44 O ATOM 0 H GLU A 93 7.130 -13.646 -7.805 1.00 44.14 H new ATOM 0 HA GLU A 93 9.005 -15.477 -6.455 1.00 3.14 H new ATOM 0 HB2 GLU A 93 6.070 -14.970 -5.993 1.00 2.00 H new ATOM 0 HB3 GLU A 93 6.788 -16.514 -5.581 1.00 2.00 H new ATOM 0 HG2 GLU A 93 8.551 -15.110 -4.273 1.00 62.21 H new ATOM 0 HG3 GLU A 93 7.406 -13.792 -4.427 1.00 62.21 H new ATOM 1501 N HIS A 94 8.798 -16.834 -8.522 1.00 24.00 N ATOM 1502 CA HIS A 94 8.706 -17.916 -9.483 1.00 41.41 C ATOM 1503 C HIS A 94 8.423 -19.206 -8.727 1.00 4.14 C ATOM 1504 O HIS A 94 8.773 -19.311 -7.550 1.00 34.04 O ATOM 1505 CB HIS A 94 10.024 -18.008 -10.268 1.00 43.55 C ATOM 1506 CG HIS A 94 10.031 -18.995 -11.394 1.00 15.52 C ATOM 1507 ND1 HIS A 94 9.721 -18.656 -12.692 1.00 15.54 N ATOM 1508 CD2 HIS A 94 10.349 -20.309 -11.417 1.00 22.23 C ATOM 1509 CE1 HIS A 94 9.845 -19.719 -13.463 1.00 42.23 C ATOM 1510 NE2 HIS A 94 10.228 -20.736 -12.717 1.00 11.25 N ATOM 0 H HIS A 94 9.751 -16.523 -8.332 1.00 24.00 H new ATOM 0 HA HIS A 94 7.900 -17.739 -10.195 1.00 41.41 H new ATOM 0 HB2 HIS A 94 10.258 -17.022 -10.670 1.00 43.55 H new ATOM 0 HB3 HIS A 94 10.824 -18.268 -9.574 1.00 43.55 H new ATOM 0 HD1 HIS A 94 9.439 -17.728 -13.008 1.00 15.54 H new ATOM 0 HD2 HIS A 94 10.644 -20.911 -10.570 1.00 22.23 H new ATOM 0 HE1 HIS A 94 9.663 -19.751 -14.527 1.00 42.23 H new ATOM 1519 N HIS A 95 7.763 -20.160 -9.384 1.00 2.43 N ATOM 1520 CA HIS A 95 7.450 -21.447 -8.764 1.00 63.02 C ATOM 1521 C HIS A 95 8.684 -22.007 -8.061 1.00 21.11 C ATOM 1522 O HIS A 95 9.686 -22.323 -8.702 1.00 70.22 O ATOM 1523 CB HIS A 95 6.939 -22.440 -9.814 1.00 64.42 C ATOM 1524 CG HIS A 95 6.381 -23.701 -9.223 1.00 34.25 C ATOM 1525 ND1 HIS A 95 6.933 -24.945 -9.440 1.00 42.30 N ATOM 1526 CD2 HIS A 95 5.305 -23.904 -8.426 1.00 71.55 C ATOM 1527 CE1 HIS A 95 6.222 -25.857 -8.805 1.00 44.43 C ATOM 1528 NE2 HIS A 95 5.231 -25.250 -8.180 1.00 20.02 N ATOM 0 H HIS A 95 7.435 -20.066 -10.345 1.00 2.43 H new ATOM 0 HA HIS A 95 6.664 -21.293 -8.024 1.00 63.02 H new ATOM 0 HB2 HIS A 95 6.168 -21.957 -10.414 1.00 64.42 H new ATOM 0 HB3 HIS A 95 7.756 -22.695 -10.489 1.00 64.42 H new ATOM 0 HD2 HIS A 95 4.631 -23.147 -8.054 1.00 71.55 H new ATOM 0 HE1 HIS A 95 6.418 -26.919 -8.798 1.00 44.43 H new ATOM 0 HE2 HIS A 95 4.524 -25.709 -7.606 1.00 20.02 H new ATOM 1537 N HIS A 96 8.601 -22.108 -6.740 1.00 31.31 N ATOM 1538 CA HIS A 96 9.754 -22.456 -5.918 1.00 1.54 C ATOM 1539 C HIS A 96 10.110 -23.932 -6.077 1.00 33.15 C ATOM 1540 O HIS A 96 10.952 -24.291 -6.899 1.00 4.23 O ATOM 1541 CB HIS A 96 9.483 -22.135 -4.441 1.00 23.42 C ATOM 1542 CG HIS A 96 9.281 -20.673 -4.144 1.00 74.11 C ATOM 1543 ND1 HIS A 96 10.270 -19.872 -3.619 1.00 24.11 N ATOM 1544 CD2 HIS A 96 8.188 -19.877 -4.272 1.00 51.53 C ATOM 1545 CE1 HIS A 96 9.799 -18.651 -3.438 1.00 2.51 C ATOM 1546 NE2 HIS A 96 8.537 -18.625 -3.825 1.00 35.31 N ATOM 0 H HIS A 96 7.742 -21.953 -6.212 1.00 31.31 H new ATOM 0 HA HIS A 96 10.600 -21.858 -6.257 1.00 1.54 H new ATOM 0 HB2 HIS A 96 8.597 -22.683 -4.120 1.00 23.42 H new ATOM 0 HB3 HIS A 96 10.318 -22.502 -3.844 1.00 23.42 H new ATOM 0 HD2 HIS A 96 7.222 -20.173 -4.655 1.00 51.53 H new ATOM 0 HE1 HIS A 96 10.354 -17.814 -3.040 1.00 2.51 H new ATOM 0 HE2 HIS A 96 7.923 -17.811 -3.797 1.00 35.31 H new ATOM 1555 N HIS A 97 9.455 -24.777 -5.291 1.00 0.23 N ATOM 1556 CA HIS A 97 9.645 -26.221 -5.365 1.00 42.30 C ATOM 1557 C HIS A 97 8.671 -26.908 -4.417 1.00 2.40 C ATOM 1558 O HIS A 97 7.861 -26.243 -3.775 1.00 53.01 O ATOM 1559 CB HIS A 97 11.099 -26.624 -5.049 1.00 5.10 C ATOM 1560 CG HIS A 97 11.557 -26.336 -3.648 1.00 71.21 C ATOM 1561 ND1 HIS A 97 11.432 -27.240 -2.617 1.00 44.13 N ATOM 1562 CD2 HIS A 97 12.180 -25.254 -3.121 1.00 42.14 C ATOM 1563 CE1 HIS A 97 11.956 -26.731 -1.521 1.00 20.10 C ATOM 1564 NE2 HIS A 97 12.419 -25.527 -1.797 1.00 30.41 N ATOM 0 H HIS A 97 8.779 -24.482 -4.586 1.00 0.23 H new ATOM 0 HA HIS A 97 9.443 -26.544 -6.386 1.00 42.30 H new ATOM 0 HB2 HIS A 97 11.211 -27.692 -5.238 1.00 5.10 H new ATOM 0 HB3 HIS A 97 11.761 -26.106 -5.743 1.00 5.10 H new ATOM 0 HD1 HIS A 97 11.000 -28.161 -2.691 1.00 44.13 H new ATOM 0 HD2 HIS A 97 12.440 -24.346 -3.645 1.00 42.14 H new ATOM 0 HE1 HIS A 97 11.999 -27.218 -0.558 1.00 20.10 H new ATOM 1573 N HIS A 98 8.748 -28.228 -4.325 1.00 34.32 N ATOM 1574 CA HIS A 98 7.799 -28.982 -3.514 1.00 32.24 C ATOM 1575 C HIS A 98 8.346 -29.234 -2.115 1.00 53.42 C ATOM 1576 O HIS A 98 9.561 -29.315 -1.917 1.00 74.10 O ATOM 1577 CB HIS A 98 7.429 -30.314 -4.190 1.00 62.54 C ATOM 1578 CG HIS A 98 8.578 -31.258 -4.409 1.00 65.20 C ATOM 1579 ND1 HIS A 98 9.163 -31.448 -5.642 1.00 35.42 N ATOM 1580 CD2 HIS A 98 9.233 -32.086 -3.556 1.00 42.32 C ATOM 1581 CE1 HIS A 98 10.124 -32.347 -5.539 1.00 23.55 C ATOM 1582 NE2 HIS A 98 10.190 -32.749 -4.284 1.00 42.11 N ATOM 0 H HIS A 98 9.451 -28.796 -4.797 1.00 34.32 H new ATOM 0 HA HIS A 98 6.896 -28.379 -3.424 1.00 32.24 H new ATOM 0 HB2 HIS A 98 6.677 -30.816 -3.581 1.00 62.54 H new ATOM 0 HB3 HIS A 98 6.967 -30.099 -5.153 1.00 62.54 H new ATOM 0 HD2 HIS A 98 9.038 -32.202 -2.500 1.00 42.32 H new ATOM 0 HE1 HIS A 98 10.751 -32.695 -6.346 1.00 23.55 H new ATOM 0 HE2 HIS A 98 10.844 -33.439 -3.915 1.00 42.11 H new ATOM 1591 N HIS A 99 7.435 -29.335 -1.156 1.00 14.24 N ATOM 1592 CA HIS A 99 7.773 -29.676 0.222 1.00 71.03 C ATOM 1593 C HIS A 99 6.493 -29.908 1.018 1.00 2.33 C ATOM 1594 O HIS A 99 5.393 -29.682 0.504 1.00 32.34 O ATOM 1595 CB HIS A 99 8.606 -28.571 0.882 1.00 44.14 C ATOM 1596 CG HIS A 99 9.215 -28.981 2.192 1.00 45.33 C ATOM 1597 ND1 HIS A 99 10.455 -29.579 2.292 1.00 54.53 N ATOM 1598 CD2 HIS A 99 8.750 -28.879 3.462 1.00 14.54 C ATOM 1599 CE1 HIS A 99 10.722 -29.828 3.562 1.00 74.44 C ATOM 1600 NE2 HIS A 99 9.704 -29.413 4.288 1.00 44.32 N ATOM 0 H HIS A 99 6.438 -29.183 -1.311 1.00 14.24 H new ATOM 0 HA HIS A 99 8.372 -30.587 0.213 1.00 71.03 H new ATOM 0 HB2 HIS A 99 9.401 -28.269 0.200 1.00 44.14 H new ATOM 0 HB3 HIS A 99 7.974 -27.697 1.042 1.00 44.14 H new ATOM 0 HD2 HIS A 99 7.804 -28.456 3.766 1.00 14.54 H new ATOM 0 HE1 HIS A 99 11.621 -30.292 3.940 1.00 74.44 H new ATOM 0 HE2 HIS A 99 9.637 -29.479 5.304 1.00 44.32 H new TER 1609 HIS A 99