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= 0.749 K(o=1.8,f=-2.9) USER MOD Set 1.2: A 97 HIS : no HE2:sc= 1.02 K(o=1.8,f=-6.3!) USER MOD Set 2.1: A 89 TYR OH : rot 107:sc= -2.22! USER MOD Set 2.2: A 96 HIS : no HD1:sc= -0.161 K(o=-2.4,f=-2.9) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0584 (180deg=-0.45) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.24 (180deg=0.853) USER MOD Single : A 3 GLN : amide:sc=-0.00631 X(o=-0.0063,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.918) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.81 (180deg=1.65) USER MOD Single : A 12 ASN : amide:sc= 1.12 K(o=1.1,f=-0.042) USER MOD Single : A 13 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.334 K(o=0.33,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.12) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 29 THR OG1 : rot -40:sc= 0.709 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 -149:sc= -0.0567 (180deg=-1.07) USER MOD Single : A 43 ASN : amide:sc= 1.04 K(o=1,f=-8.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0632) USER MOD Single : A 52 GLN : amide:sc= -3.42! K(o=-3.4!,f=-0.56) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1) USER MOD Single : A 57 ASN : amide:sc= 1.01 K(o=1,f=-0.21) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 59 GLN : amide:sc= -0.581 K(o=-0.58,f=-0.014) USER MOD Single : A 60 SER OG : rot 72:sc= 1.25 USER MOD Single : A 65 ASN : amide:sc= 0.927 K(o=0.93,f=-1.2!) USER MOD Single : A 68 SER OG : rot -100:sc= 1.28 USER MOD Single : A 72 GLN : amide:sc=-0.00295 K(o=-0.003,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0285) USER MOD Single : A 76 MET CE :methyl -132:sc= -0.772 (180deg=-1.07) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.863 (180deg=-1.43!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 172:sc= -0.678 (180deg=-0.693) USER MOD Single : A 91 GLN : amide:sc= 0.761 K(o=0.76,f=-0.64) USER MOD Single : A 94 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0.045) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.820 11.199 16.458 1.00 51.53 N ATOM 2 CA MET A 1 -5.066 10.665 15.861 1.00 1.14 C ATOM 3 C MET A 1 -4.750 9.996 14.533 1.00 42.10 C ATOM 4 O MET A 1 -3.586 9.909 14.141 1.00 20.52 O ATOM 5 CB MET A 1 -6.094 11.787 15.649 1.00 34.13 C ATOM 6 CG MET A 1 -6.603 12.423 16.936 1.00 23.35 C ATOM 7 SD MET A 1 -5.339 13.361 17.821 1.00 55.33 S ATOM 8 CE MET A 1 -5.054 14.716 16.684 1.00 23.42 C ATOM 0 H1 MET A 1 -4.057 11.928 17.161 1.00 51.53 H new ATOM 0 H2 MET A 1 -3.298 10.427 16.921 1.00 51.53 H new ATOM 0 H3 MET A 1 -3.229 11.618 15.712 1.00 51.53 H new ATOM 0 HA MET A 1 -5.494 9.933 16.546 1.00 1.14 H new ATOM 0 HB2 MET A 1 -5.645 12.562 15.027 1.00 34.13 H new ATOM 0 HB3 MET A 1 -6.943 11.386 15.095 1.00 34.13 H new ATOM 0 HG2 MET A 1 -7.437 13.084 16.701 1.00 23.35 H new ATOM 0 HG3 MET A 1 -6.990 11.642 17.590 1.00 23.35 H new ATOM 0 HE1 MET A 1 -4.540 15.525 17.203 1.00 23.42 H new ATOM 0 HE2 MET A 1 -4.439 14.370 15.853 1.00 23.42 H new ATOM 0 HE3 MET A 1 -6.009 15.078 16.303 1.00 23.42 H new ATOM 20 N ASP A 2 -5.780 9.525 13.840 1.00 4.10 N ATOM 21 CA ASP A 2 -5.590 8.862 12.555 1.00 53.04 C ATOM 22 C ASP A 2 -5.447 9.900 11.446 1.00 15.14 C ATOM 23 O ASP A 2 -6.425 10.271 10.792 1.00 63.12 O ATOM 24 CB ASP A 2 -6.763 7.925 12.255 1.00 74.11 C ATOM 25 CG ASP A 2 -6.475 6.938 11.136 1.00 24.33 C ATOM 26 OD1 ASP A 2 -6.266 7.365 9.983 1.00 52.44 O ATOM 27 OD2 ASP A 2 -6.488 5.718 11.403 1.00 63.13 O ATOM 0 H ASP A 2 -6.751 9.589 14.144 1.00 4.10 H new ATOM 0 HA ASP A 2 -4.678 8.268 12.602 1.00 53.04 H new ATOM 0 HB2 ASP A 2 -7.018 7.373 13.160 1.00 74.11 H new ATOM 0 HB3 ASP A 2 -7.636 8.521 11.988 1.00 74.11 H new ATOM 32 N GLN A 3 -4.228 10.393 11.267 1.00 31.20 N ATOM 33 CA GLN A 3 -3.943 11.395 10.244 1.00 40.11 C ATOM 34 C GLN A 3 -4.002 10.763 8.864 1.00 73.20 C ATOM 35 O GLN A 3 -4.247 11.431 7.855 1.00 33.12 O ATOM 36 CB GLN A 3 -2.570 12.029 10.478 1.00 0.20 C ATOM 37 CG GLN A 3 -1.422 11.038 10.533 1.00 61.33 C ATOM 38 CD GLN A 3 -0.124 11.695 10.955 1.00 71.41 C ATOM 39 OE1 GLN A 3 0.210 11.727 12.139 1.00 14.24 O ATOM 40 NE2 GLN A 3 0.600 12.245 9.996 1.00 10.01 N ATOM 0 H GLN A 3 -3.417 10.115 11.819 1.00 31.20 H new ATOM 0 HA GLN A 3 -4.698 12.179 10.307 1.00 40.11 H new ATOM 0 HB2 GLN A 3 -2.375 12.748 9.682 1.00 0.20 H new ATOM 0 HB3 GLN A 3 -2.596 12.588 11.413 1.00 0.20 H new ATOM 0 HG2 GLN A 3 -1.667 10.238 11.232 1.00 61.33 H new ATOM 0 HG3 GLN A 3 -1.293 10.578 9.553 1.00 61.33 H new ATOM 0 HE21 GLN A 3 0.285 12.195 9.027 1.00 10.01 H new ATOM 0 HE22 GLN A 3 1.473 12.720 10.225 1.00 10.01 H new ATOM 49 N LEU A 4 -3.786 9.460 8.844 1.00 14.25 N ATOM 50 CA LEU A 4 -3.868 8.673 7.631 1.00 21.23 C ATOM 51 C LEU A 4 -5.260 8.756 7.014 1.00 61.33 C ATOM 52 O LEU A 4 -5.415 8.542 5.817 1.00 41.21 O ATOM 53 CB LEU A 4 -3.490 7.227 7.929 1.00 2.11 C ATOM 54 CG LEU A 4 -2.035 7.032 8.348 1.00 3.54 C ATOM 55 CD1 LEU A 4 -1.836 5.663 8.958 1.00 20.04 C ATOM 56 CD2 LEU A 4 -1.108 7.218 7.160 1.00 1.11 C ATOM 0 H LEU A 4 -3.548 8.917 9.674 1.00 14.25 H new ATOM 0 HA LEU A 4 -3.165 9.079 6.904 1.00 21.23 H new ATOM 0 HB2 LEU A 4 -4.138 6.850 8.721 1.00 2.11 H new ATOM 0 HB3 LEU A 4 -3.685 6.623 7.043 1.00 2.11 H new ATOM 0 HG LEU A 4 -1.793 7.785 9.098 1.00 3.54 H new ATOM 0 HD11 LEU A 4 -0.793 5.543 9.250 1.00 20.04 H new ATOM 0 HD12 LEU A 4 -2.473 5.560 9.836 1.00 20.04 H new ATOM 0 HD13 LEU A 4 -2.099 4.898 8.228 1.00 20.04 H new ATOM 0 HD21 LEU A 4 -0.075 7.075 7.478 1.00 1.11 H new ATOM 0 HD22 LEU A 4 -1.354 6.488 6.389 1.00 1.11 H new ATOM 0 HD23 LEU A 4 -1.228 8.224 6.759 1.00 1.11 H new ATOM 68 N LYS A 5 -6.268 9.045 7.840 1.00 52.11 N ATOM 69 CA LYS A 5 -7.639 9.221 7.360 1.00 64.15 C ATOM 70 C LYS A 5 -7.685 10.195 6.187 1.00 72.43 C ATOM 71 O LYS A 5 -8.356 9.937 5.189 1.00 52.34 O ATOM 72 CB LYS A 5 -8.545 9.732 8.481 1.00 32.41 C ATOM 73 CG LYS A 5 -10.022 9.723 8.117 1.00 15.41 C ATOM 74 CD LYS A 5 -10.873 10.360 9.205 1.00 22.32 C ATOM 75 CE LYS A 5 -10.732 11.875 9.226 1.00 50.42 C ATOM 76 NZ LYS A 5 -11.308 12.508 8.008 1.00 72.51 N ATOM 0 H LYS A 5 -6.159 9.162 8.847 1.00 52.11 H new ATOM 0 HA LYS A 5 -7.998 8.247 7.026 1.00 64.15 H new ATOM 0 HB2 LYS A 5 -8.394 9.118 9.369 1.00 32.41 H new ATOM 0 HB3 LYS A 5 -8.249 10.748 8.742 1.00 32.41 H new ATOM 0 HG2 LYS A 5 -10.169 10.259 7.179 1.00 15.41 H new ATOM 0 HG3 LYS A 5 -10.350 8.697 7.952 1.00 15.41 H new ATOM 0 HD2 LYS A 5 -11.919 10.095 9.049 1.00 22.32 H new ATOM 0 HD3 LYS A 5 -10.584 9.956 10.175 1.00 22.32 H new ATOM 0 HE2 LYS A 5 -11.230 12.273 10.111 1.00 50.42 H new ATOM 0 HE3 LYS A 5 -9.678 12.139 9.307 1.00 50.42 H new ATOM 0 HZ1 LYS A 5 -11.408 13.532 8.163 1.00 72.51 H new ATOM 0 HZ2 LYS A 5 -10.677 12.340 7.198 1.00 72.51 H new ATOM 0 HZ3 LYS A 5 -12.242 12.095 7.811 1.00 72.51 H new ATOM 90 N THR A 6 -6.956 11.301 6.307 1.00 51.10 N ATOM 91 CA THR A 6 -6.875 12.292 5.241 1.00 13.51 C ATOM 92 C THR A 6 -6.337 11.653 3.963 1.00 32.45 C ATOM 93 O THR A 6 -6.851 11.880 2.866 1.00 45.52 O ATOM 94 CB THR A 6 -5.960 13.461 5.657 1.00 35.43 C ATOM 95 OG1 THR A 6 -6.435 14.036 6.881 1.00 50.31 O ATOM 96 CG2 THR A 6 -5.904 14.530 4.577 1.00 24.01 C ATOM 0 H THR A 6 -6.411 11.533 7.137 1.00 51.10 H new ATOM 0 HA THR A 6 -7.878 12.675 5.056 1.00 13.51 H new ATOM 0 HB THR A 6 -4.953 13.069 5.800 1.00 35.43 H new ATOM 0 HG1 THR A 6 -5.850 14.777 7.143 1.00 50.31 H new ATOM 0 HG21 THR A 6 -5.251 15.340 4.901 1.00 24.01 H new ATOM 0 HG22 THR A 6 -5.515 14.096 3.656 1.00 24.01 H new ATOM 0 HG23 THR A 6 -6.906 14.921 4.399 1.00 24.01 H new ATOM 104 N ILE A 7 -5.315 10.831 4.131 1.00 41.14 N ATOM 105 CA ILE A 7 -4.706 10.102 3.031 1.00 33.51 C ATOM 106 C ILE A 7 -5.688 9.084 2.453 1.00 4.34 C ATOM 107 O ILE A 7 -5.814 8.945 1.237 1.00 62.41 O ATOM 108 CB ILE A 7 -3.430 9.393 3.522 1.00 3.42 C ATOM 109 CG1 ILE A 7 -2.438 10.440 4.037 1.00 42.34 C ATOM 110 CG2 ILE A 7 -2.812 8.552 2.414 1.00 60.10 C ATOM 111 CD1 ILE A 7 -1.310 9.869 4.867 1.00 60.20 C ATOM 0 H ILE A 7 -4.883 10.650 5.037 1.00 41.14 H new ATOM 0 HA ILE A 7 -4.443 10.808 2.243 1.00 33.51 H new ATOM 0 HB ILE A 7 -3.688 8.715 4.336 1.00 3.42 H new ATOM 0 HG12 ILE A 7 -2.014 10.973 3.186 1.00 42.34 H new ATOM 0 HG13 ILE A 7 -2.979 11.174 4.635 1.00 42.34 H new ATOM 0 HG21 ILE A 7 -1.913 8.062 2.787 1.00 60.10 H new ATOM 0 HG22 ILE A 7 -3.527 7.797 2.088 1.00 60.10 H new ATOM 0 HG23 ILE A 7 -2.553 9.194 1.572 1.00 60.10 H new ATOM 0 HD11 ILE A 7 -0.653 10.676 5.192 1.00 60.20 H new ATOM 0 HD12 ILE A 7 -1.721 9.362 5.740 1.00 60.20 H new ATOM 0 HD13 ILE A 7 -0.742 9.157 4.268 1.00 60.20 H new ATOM 123 N LYS A 8 -6.397 8.398 3.340 1.00 11.24 N ATOM 124 CA LYS A 8 -7.415 7.433 2.945 1.00 14.34 C ATOM 125 C LYS A 8 -8.506 8.118 2.124 1.00 3.11 C ATOM 126 O LYS A 8 -9.029 7.547 1.165 1.00 11.52 O ATOM 127 CB LYS A 8 -8.006 6.769 4.194 1.00 5.53 C ATOM 128 CG LYS A 8 -6.985 5.952 4.975 1.00 4.25 C ATOM 129 CD LYS A 8 -7.396 5.743 6.426 1.00 54.21 C ATOM 130 CE LYS A 8 -6.313 4.999 7.197 1.00 63.13 C ATOM 131 NZ LYS A 8 -6.551 5.000 8.665 1.00 5.35 N ATOM 0 H LYS A 8 -6.284 8.494 4.349 1.00 11.24 H new ATOM 0 HA LYS A 8 -6.959 6.663 2.322 1.00 14.34 H new ATOM 0 HB2 LYS A 8 -8.422 7.538 4.845 1.00 5.53 H new ATOM 0 HB3 LYS A 8 -8.831 6.121 3.898 1.00 5.53 H new ATOM 0 HG2 LYS A 8 -6.855 4.983 4.494 1.00 4.25 H new ATOM 0 HG3 LYS A 8 -6.019 6.456 4.943 1.00 4.25 H new ATOM 0 HD2 LYS A 8 -7.585 6.708 6.897 1.00 54.21 H new ATOM 0 HD3 LYS A 8 -8.328 5.180 6.466 1.00 54.21 H new ATOM 0 HE2 LYS A 8 -6.262 3.970 6.842 1.00 63.13 H new ATOM 0 HE3 LYS A 8 -5.346 5.456 6.989 1.00 63.13 H new ATOM 0 HZ1 LYS A 8 -5.760 4.525 9.145 1.00 5.35 H new ATOM 0 HZ2 LYS A 8 -6.624 5.980 9.004 1.00 5.35 H new ATOM 0 HZ3 LYS A 8 -7.436 4.495 8.874 1.00 5.35 H new ATOM 145 N GLU A 9 -8.830 9.352 2.497 1.00 22.03 N ATOM 146 CA GLU A 9 -9.781 10.161 1.744 1.00 13.50 C ATOM 147 C GLU A 9 -9.232 10.476 0.356 1.00 43.42 C ATOM 148 O GLU A 9 -9.938 10.357 -0.645 1.00 12.20 O ATOM 149 CB GLU A 9 -10.085 11.460 2.493 1.00 44.34 C ATOM 150 CG GLU A 9 -10.841 11.249 3.792 1.00 1.23 C ATOM 151 CD GLU A 9 -10.900 12.500 4.643 1.00 53.25 C ATOM 152 OE1 GLU A 9 -11.710 13.395 4.337 1.00 64.01 O ATOM 153 OE2 GLU A 9 -10.142 12.586 5.632 1.00 62.43 O ATOM 0 H GLU A 9 -8.446 9.815 3.320 1.00 22.03 H new ATOM 0 HA GLU A 9 -10.705 9.593 1.635 1.00 13.50 H new ATOM 0 HB2 GLU A 9 -9.148 11.974 2.707 1.00 44.34 H new ATOM 0 HB3 GLU A 9 -10.668 12.115 1.845 1.00 44.34 H new ATOM 0 HG2 GLU A 9 -11.855 10.919 3.568 1.00 1.23 H new ATOM 0 HG3 GLU A 9 -10.364 10.450 4.360 1.00 1.23 H new ATOM 160 N LEU A 10 -7.964 10.868 0.304 1.00 53.12 N ATOM 161 CA LEU A 10 -7.304 11.199 -0.958 1.00 42.14 C ATOM 162 C LEU A 10 -7.286 9.994 -1.892 1.00 31.30 C ATOM 163 O LEU A 10 -7.599 10.112 -3.076 1.00 23.53 O ATOM 164 CB LEU A 10 -5.873 11.681 -0.700 1.00 34.10 C ATOM 165 CG LEU A 10 -5.753 12.926 0.181 1.00 42.44 C ATOM 166 CD1 LEU A 10 -4.294 13.236 0.473 1.00 62.03 C ATOM 167 CD2 LEU A 10 -6.427 14.120 -0.476 1.00 23.51 C ATOM 0 H LEU A 10 -7.368 10.965 1.126 1.00 53.12 H new ATOM 0 HA LEU A 10 -7.868 12.000 -1.436 1.00 42.14 H new ATOM 0 HB2 LEU A 10 -5.312 10.871 -0.234 1.00 34.10 H new ATOM 0 HB3 LEU A 10 -5.398 11.887 -1.659 1.00 34.10 H new ATOM 0 HG LEU A 10 -6.260 12.723 1.124 1.00 42.44 H new ATOM 0 HD11 LEU A 10 -4.229 14.125 1.101 1.00 62.03 H new ATOM 0 HD12 LEU A 10 -3.839 12.392 0.991 1.00 62.03 H new ATOM 0 HD13 LEU A 10 -3.765 13.414 -0.463 1.00 62.03 H new ATOM 0 HD21 LEU A 10 -6.329 14.993 0.169 1.00 23.51 H new ATOM 0 HD22 LEU A 10 -5.953 14.323 -1.436 1.00 23.51 H new ATOM 0 HD23 LEU A 10 -7.483 13.901 -0.632 1.00 23.51 H new ATOM 179 N ILE A 11 -6.938 8.836 -1.344 1.00 13.45 N ATOM 180 CA ILE A 11 -6.893 7.595 -2.112 1.00 74.21 C ATOM 181 C ILE A 11 -8.261 7.271 -2.722 1.00 14.12 C ATOM 182 O ILE A 11 -8.351 6.842 -3.872 1.00 72.00 O ATOM 183 CB ILE A 11 -6.408 6.416 -1.234 1.00 70.31 C ATOM 184 CG1 ILE A 11 -4.974 6.668 -0.765 1.00 2.55 C ATOM 185 CG2 ILE A 11 -6.487 5.096 -1.991 1.00 60.01 C ATOM 186 CD1 ILE A 11 -4.480 5.675 0.265 1.00 40.14 C ATOM 0 H ILE A 11 -6.681 8.729 -0.363 1.00 13.45 H new ATOM 0 HA ILE A 11 -6.180 7.739 -2.924 1.00 74.21 H new ATOM 0 HB ILE A 11 -7.064 6.347 -0.366 1.00 70.31 H new ATOM 0 HG12 ILE A 11 -4.310 6.641 -1.629 1.00 2.55 H new ATOM 0 HG13 ILE A 11 -4.911 7.672 -0.346 1.00 2.55 H new ATOM 0 HG21 ILE A 11 -6.140 4.287 -1.349 1.00 60.01 H new ATOM 0 HG22 ILE A 11 -7.519 4.907 -2.287 1.00 60.01 H new ATOM 0 HG23 ILE A 11 -5.859 5.148 -2.880 1.00 60.01 H new ATOM 0 HD11 ILE A 11 -3.456 5.921 0.546 1.00 40.14 H new ATOM 0 HD12 ILE A 11 -5.119 5.718 1.147 1.00 40.14 H new ATOM 0 HD13 ILE A 11 -4.509 4.670 -0.156 1.00 40.14 H new ATOM 198 N ASN A 12 -9.325 7.503 -1.962 1.00 42.20 N ATOM 199 CA ASN A 12 -10.679 7.259 -2.455 1.00 2.33 C ATOM 200 C ASN A 12 -11.049 8.247 -3.555 1.00 30.33 C ATOM 201 O ASN A 12 -11.691 7.882 -4.539 1.00 13.20 O ATOM 202 CB ASN A 12 -11.699 7.333 -1.315 1.00 51.10 C ATOM 203 CG ASN A 12 -11.837 6.018 -0.573 1.00 3.02 C ATOM 204 OD1 ASN A 12 -12.649 5.170 -0.939 1.00 42.45 O ATOM 205 ND2 ASN A 12 -11.049 5.835 0.475 1.00 64.41 N ATOM 0 H ASN A 12 -9.279 7.858 -1.007 1.00 42.20 H new ATOM 0 HA ASN A 12 -10.700 6.253 -2.874 1.00 2.33 H new ATOM 0 HB2 ASN A 12 -11.400 8.112 -0.614 1.00 51.10 H new ATOM 0 HB3 ASN A 12 -12.669 7.622 -1.718 1.00 51.10 H new ATOM 0 HD21 ASN A 12 -11.103 4.967 1.009 1.00 64.41 H new ATOM 0 HD22 ASN A 12 -10.387 6.562 0.749 1.00 64.41 H new ATOM 212 N GLN A 13 -10.625 9.493 -3.392 1.00 30.42 N ATOM 213 CA GLN A 13 -10.925 10.540 -4.363 1.00 51.13 C ATOM 214 C GLN A 13 -10.193 10.309 -5.681 1.00 50.14 C ATOM 215 O GLN A 13 -10.665 10.722 -6.739 1.00 73.32 O ATOM 216 CB GLN A 13 -10.542 11.910 -3.802 1.00 74.42 C ATOM 217 CG GLN A 13 -11.405 12.357 -2.637 1.00 50.30 C ATOM 218 CD GLN A 13 -10.931 13.663 -2.037 1.00 23.31 C ATOM 219 OE1 GLN A 13 -11.332 14.742 -2.466 1.00 20.12 O ATOM 220 NE2 GLN A 13 -10.075 13.572 -1.032 1.00 30.15 N ATOM 0 H GLN A 13 -10.071 9.805 -2.595 1.00 30.42 H new ATOM 0 HA GLN A 13 -11.997 10.509 -4.556 1.00 51.13 H new ATOM 0 HB2 GLN A 13 -9.501 11.883 -3.481 1.00 74.42 H new ATOM 0 HB3 GLN A 13 -10.611 12.651 -4.599 1.00 74.42 H new ATOM 0 HG2 GLN A 13 -12.436 12.468 -2.973 1.00 50.30 H new ATOM 0 HG3 GLN A 13 -11.402 11.584 -1.868 1.00 50.30 H new ATOM 0 HE21 GLN A 13 -9.767 12.656 -0.706 1.00 30.15 H new ATOM 0 HE22 GLN A 13 -9.723 14.418 -0.583 1.00 30.15 H new ATOM 229 N GLY A 14 -9.056 9.635 -5.612 1.00 10.22 N ATOM 230 CA GLY A 14 -8.222 9.462 -6.787 1.00 42.34 C ATOM 231 C GLY A 14 -6.994 10.342 -6.715 1.00 32.22 C ATOM 232 O GLY A 14 -6.194 10.406 -7.649 1.00 74.41 O ATOM 0 H GLY A 14 -8.693 9.203 -4.762 1.00 10.22 H new ATOM 0 HA2 GLY A 14 -7.921 8.418 -6.873 1.00 42.34 H new ATOM 0 HA3 GLY A 14 -8.795 9.703 -7.682 1.00 42.34 H new ATOM 236 N ASP A 15 -6.837 10.995 -5.575 1.00 72.42 N ATOM 237 CA ASP A 15 -5.730 11.909 -5.340 1.00 1.11 C ATOM 238 C ASP A 15 -4.559 11.145 -4.725 1.00 40.23 C ATOM 239 O ASP A 15 -3.965 11.564 -3.728 1.00 4.22 O ATOM 240 CB ASP A 15 -6.195 13.032 -4.414 1.00 54.33 C ATOM 241 CG ASP A 15 -5.294 14.245 -4.464 1.00 61.32 C ATOM 242 OD1 ASP A 15 -4.816 14.590 -5.563 1.00 44.21 O ATOM 243 OD2 ASP A 15 -5.106 14.894 -3.416 1.00 23.52 O ATOM 0 H ASP A 15 -7.475 10.906 -4.784 1.00 72.42 H new ATOM 0 HA ASP A 15 -5.398 12.346 -6.282 1.00 1.11 H new ATOM 0 HB2 ASP A 15 -7.208 13.326 -4.688 1.00 54.33 H new ATOM 0 HB3 ASP A 15 -6.237 12.659 -3.391 1.00 54.33 H new ATOM 248 N ILE A 16 -4.243 10.016 -5.348 1.00 10.31 N ATOM 249 CA ILE A 16 -3.223 9.095 -4.865 1.00 55.23 C ATOM 250 C ILE A 16 -1.857 9.768 -4.722 1.00 23.52 C ATOM 251 O ILE A 16 -1.119 9.469 -3.788 1.00 21.20 O ATOM 252 CB ILE A 16 -3.113 7.853 -5.794 1.00 4.13 C ATOM 253 CG1 ILE A 16 -4.173 6.805 -5.434 1.00 4.11 C ATOM 254 CG2 ILE A 16 -1.728 7.227 -5.729 1.00 11.11 C ATOM 255 CD1 ILE A 16 -5.599 7.246 -5.667 1.00 34.43 C ATOM 0 H ILE A 16 -4.693 9.712 -6.211 1.00 10.31 H new ATOM 0 HA ILE A 16 -3.536 8.770 -3.873 1.00 55.23 H new ATOM 0 HB ILE A 16 -3.286 8.198 -6.813 1.00 4.13 H new ATOM 0 HG12 ILE A 16 -3.986 5.903 -6.017 1.00 4.11 H new ATOM 0 HG13 ILE A 16 -4.057 6.536 -4.384 1.00 4.11 H new ATOM 0 HG21 ILE A 16 -1.688 6.362 -6.391 1.00 11.11 H new ATOM 0 HG22 ILE A 16 -0.983 7.958 -6.043 1.00 11.11 H new ATOM 0 HG23 ILE A 16 -1.519 6.912 -4.707 1.00 11.11 H new ATOM 0 HD11 ILE A 16 -6.279 6.442 -5.385 1.00 34.43 H new ATOM 0 HD12 ILE A 16 -5.810 8.129 -5.063 1.00 34.43 H new ATOM 0 HD13 ILE A 16 -5.738 7.486 -6.721 1.00 34.43 H new ATOM 267 N GLU A 17 -1.528 10.682 -5.625 1.00 61.14 N ATOM 268 CA GLU A 17 -0.221 11.336 -5.593 1.00 1.43 C ATOM 269 C GLU A 17 -0.011 12.109 -4.293 1.00 13.54 C ATOM 270 O GLU A 17 1.057 12.033 -3.684 1.00 61.04 O ATOM 271 CB GLU A 17 -0.042 12.266 -6.789 1.00 41.33 C ATOM 272 CG GLU A 17 0.017 11.537 -8.119 1.00 35.23 C ATOM 273 CD GLU A 17 0.456 12.436 -9.252 1.00 35.53 C ATOM 274 OE1 GLU A 17 1.682 12.633 -9.413 1.00 34.34 O ATOM 275 OE2 GLU A 17 -0.417 12.933 -9.997 1.00 31.43 O ATOM 0 H GLU A 17 -2.139 10.987 -6.383 1.00 61.14 H new ATOM 0 HA GLU A 17 0.531 10.549 -5.647 1.00 1.43 H new ATOM 0 HB2 GLU A 17 -0.866 12.979 -6.811 1.00 41.33 H new ATOM 0 HB3 GLU A 17 0.875 12.841 -6.658 1.00 41.33 H new ATOM 0 HG2 GLU A 17 0.706 10.696 -8.039 1.00 35.23 H new ATOM 0 HG3 GLU A 17 -0.965 11.124 -8.347 1.00 35.23 H new ATOM 282 N ASN A 18 -1.029 12.840 -3.862 1.00 61.43 N ATOM 283 CA ASN A 18 -0.954 13.574 -2.603 1.00 15.03 C ATOM 284 C ASN A 18 -1.005 12.611 -1.431 1.00 21.33 C ATOM 285 O ASN A 18 -0.367 12.829 -0.402 1.00 61.14 O ATOM 286 CB ASN A 18 -2.090 14.587 -2.496 1.00 71.24 C ATOM 287 CG ASN A 18 -1.855 15.814 -3.351 1.00 73.22 C ATOM 288 OD1 ASN A 18 -0.727 16.283 -3.492 1.00 75.13 O ATOM 289 ND2 ASN A 18 -2.916 16.330 -3.939 1.00 61.00 N ATOM 0 H ASN A 18 -1.913 12.942 -4.361 1.00 61.43 H new ATOM 0 HA ASN A 18 -0.008 14.114 -2.580 1.00 15.03 H new ATOM 0 HB2 ASN A 18 -3.025 14.113 -2.796 1.00 71.24 H new ATOM 0 HB3 ASN A 18 -2.206 14.890 -1.455 1.00 71.24 H new ATOM 0 HD21 ASN A 18 -2.819 17.150 -4.538 1.00 61.00 H new ATOM 0 HD22 ASN A 18 -3.834 15.909 -3.795 1.00 61.00 H new ATOM 296 N ALA A 19 -1.766 11.541 -1.604 1.00 75.23 N ATOM 297 CA ALA A 19 -1.853 10.494 -0.601 1.00 2.42 C ATOM 298 C ALA A 19 -0.486 9.858 -0.380 1.00 52.02 C ATOM 299 O ALA A 19 0.005 9.795 0.744 1.00 14.13 O ATOM 300 CB ALA A 19 -2.870 9.447 -1.025 1.00 23.33 C ATOM 0 H ALA A 19 -2.334 11.376 -2.435 1.00 75.23 H new ATOM 0 HA ALA A 19 -2.182 10.934 0.340 1.00 2.42 H new ATOM 0 HB1 ALA A 19 -2.927 8.667 -0.266 1.00 23.33 H new ATOM 0 HB2 ALA A 19 -3.848 9.915 -1.139 1.00 23.33 H new ATOM 0 HB3 ALA A 19 -2.565 9.007 -1.975 1.00 23.33 H new ATOM 306 N LEU A 20 0.130 9.409 -1.470 1.00 42.42 N ATOM 307 CA LEU A 20 1.457 8.808 -1.427 1.00 51.03 C ATOM 308 C LEU A 20 2.463 9.774 -0.826 1.00 75.33 C ATOM 309 O LEU A 20 3.324 9.380 -0.045 1.00 42.51 O ATOM 310 CB LEU A 20 1.915 8.414 -2.834 1.00 63.02 C ATOM 311 CG LEU A 20 1.122 7.290 -3.499 1.00 50.04 C ATOM 312 CD1 LEU A 20 1.663 7.021 -4.893 1.00 42.50 C ATOM 313 CD2 LEU A 20 1.171 6.028 -2.654 1.00 4.54 C ATOM 0 H LEU A 20 -0.276 9.452 -2.405 1.00 42.42 H new ATOM 0 HA LEU A 20 1.399 7.916 -0.804 1.00 51.03 H new ATOM 0 HB2 LEU A 20 1.865 9.296 -3.473 1.00 63.02 H new ATOM 0 HB3 LEU A 20 2.962 8.115 -2.785 1.00 63.02 H new ATOM 0 HG LEU A 20 0.081 7.602 -3.584 1.00 50.04 H new ATOM 0 HD11 LEU A 20 1.090 6.218 -5.357 1.00 42.50 H new ATOM 0 HD12 LEU A 20 1.577 7.924 -5.497 1.00 42.50 H new ATOM 0 HD13 LEU A 20 2.711 6.727 -4.826 1.00 42.50 H new ATOM 0 HD21 LEU A 20 0.600 5.239 -3.144 1.00 4.54 H new ATOM 0 HD22 LEU A 20 2.206 5.708 -2.538 1.00 4.54 H new ATOM 0 HD23 LEU A 20 0.741 6.230 -1.673 1.00 4.54 H new ATOM 325 N GLN A 21 2.340 11.040 -1.199 1.00 12.24 N ATOM 326 CA GLN A 21 3.225 12.080 -0.711 1.00 21.11 C ATOM 327 C GLN A 21 3.176 12.158 0.812 1.00 2.32 C ATOM 328 O GLN A 21 4.210 12.131 1.483 1.00 14.14 O ATOM 329 CB GLN A 21 2.821 13.419 -1.321 1.00 4.35 C ATOM 330 CG GLN A 21 3.991 14.198 -1.880 1.00 42.42 C ATOM 331 CD GLN A 21 4.640 13.513 -3.072 1.00 53.13 C ATOM 332 OE1 GLN A 21 5.848 13.626 -3.277 1.00 54.55 O ATOM 333 NE2 GLN A 21 3.843 12.818 -3.878 1.00 70.31 N ATOM 0 H GLN A 21 1.625 11.371 -1.847 1.00 12.24 H new ATOM 0 HA GLN A 21 4.247 11.842 -1.006 1.00 21.11 H new ATOM 0 HB2 GLN A 21 2.096 13.244 -2.116 1.00 4.35 H new ATOM 0 HB3 GLN A 21 2.322 14.021 -0.561 1.00 4.35 H new ATOM 0 HG2 GLN A 21 3.652 15.190 -2.177 1.00 42.42 H new ATOM 0 HG3 GLN A 21 4.736 14.337 -1.097 1.00 42.42 H new ATOM 0 HE21 GLN A 21 2.846 12.748 -3.673 1.00 70.31 H new ATOM 0 HE22 GLN A 21 4.228 12.355 -4.701 1.00 70.31 H new ATOM 342 N ALA A 22 1.965 12.230 1.348 1.00 34.31 N ATOM 343 CA ALA A 22 1.761 12.300 2.786 1.00 44.20 C ATOM 344 C ALA A 22 2.184 11.001 3.461 1.00 43.10 C ATOM 345 O ALA A 22 2.672 11.005 4.590 1.00 74.11 O ATOM 346 CB ALA A 22 0.307 12.619 3.088 1.00 73.15 C ATOM 0 H ALA A 22 1.103 12.241 0.802 1.00 34.31 H new ATOM 0 HA ALA A 22 2.385 13.099 3.187 1.00 44.20 H new ATOM 0 HB1 ALA A 22 0.162 12.670 4.167 1.00 73.15 H new ATOM 0 HB2 ALA A 22 0.044 13.578 2.641 1.00 73.15 H new ATOM 0 HB3 ALA A 22 -0.331 11.839 2.673 1.00 73.15 H new ATOM 352 N LEU A 23 2.000 9.891 2.758 1.00 1.12 N ATOM 353 CA LEU A 23 2.416 8.587 3.255 1.00 4.14 C ATOM 354 C LEU A 23 3.935 8.523 3.395 1.00 15.44 C ATOM 355 O LEU A 23 4.449 8.037 4.400 1.00 55.22 O ATOM 356 CB LEU A 23 1.912 7.485 2.322 1.00 61.22 C ATOM 357 CG LEU A 23 0.400 7.257 2.361 1.00 1.13 C ATOM 358 CD1 LEU A 23 -0.061 6.445 1.160 1.00 45.01 C ATOM 359 CD2 LEU A 23 0.003 6.564 3.655 1.00 4.33 C ATOM 0 H LEU A 23 1.563 9.869 1.837 1.00 1.12 H new ATOM 0 HA LEU A 23 1.980 8.434 4.242 1.00 4.14 H new ATOM 0 HB2 LEU A 23 2.202 7.731 1.301 1.00 61.22 H new ATOM 0 HB3 LEU A 23 2.413 6.552 2.580 1.00 61.22 H new ATOM 0 HG LEU A 23 -0.091 8.229 2.319 1.00 1.13 H new ATOM 0 HD11 LEU A 23 -1.140 6.298 1.213 1.00 45.01 H new ATOM 0 HD12 LEU A 23 0.188 6.979 0.243 1.00 45.01 H new ATOM 0 HD13 LEU A 23 0.438 5.476 1.163 1.00 45.01 H new ATOM 0 HD21 LEU A 23 -1.076 6.409 3.668 1.00 4.33 H new ATOM 0 HD22 LEU A 23 0.509 5.601 3.722 1.00 4.33 H new ATOM 0 HD23 LEU A 23 0.291 7.185 4.503 1.00 4.33 H new ATOM 371 N GLU A 24 4.641 9.037 2.390 1.00 75.25 N ATOM 372 CA GLU A 24 6.098 9.127 2.432 1.00 44.22 C ATOM 373 C GLU A 24 6.551 9.882 3.678 1.00 40.33 C ATOM 374 O GLU A 24 7.522 9.499 4.336 1.00 12.41 O ATOM 375 CB GLU A 24 6.618 9.845 1.188 1.00 11.23 C ATOM 376 CG GLU A 24 6.436 9.062 -0.101 1.00 51.14 C ATOM 377 CD GLU A 24 7.453 7.953 -0.254 1.00 11.33 C ATOM 378 OE1 GLU A 24 7.209 6.835 0.236 1.00 50.21 O ATOM 379 OE2 GLU A 24 8.515 8.200 -0.862 1.00 24.14 O ATOM 0 H GLU A 24 4.224 9.399 1.532 1.00 75.25 H new ATOM 0 HA GLU A 24 6.502 8.115 2.462 1.00 44.22 H new ATOM 0 HB2 GLU A 24 6.107 10.803 1.094 1.00 11.23 H new ATOM 0 HB3 GLU A 24 7.678 10.061 1.323 1.00 11.23 H new ATOM 0 HG2 GLU A 24 5.433 8.636 -0.125 1.00 51.14 H new ATOM 0 HG3 GLU A 24 6.514 9.742 -0.949 1.00 51.14 H new ATOM 386 N GLU A 25 5.831 10.951 3.992 1.00 13.51 N ATOM 387 CA GLU A 25 6.120 11.758 5.175 1.00 33.42 C ATOM 388 C GLU A 25 5.823 10.966 6.443 1.00 30.22 C ATOM 389 O GLU A 25 6.618 10.950 7.386 1.00 71.35 O ATOM 390 CB GLU A 25 5.283 13.042 5.170 1.00 15.03 C ATOM 391 CG GLU A 25 5.515 13.935 3.962 1.00 11.14 C ATOM 392 CD GLU A 25 4.655 15.181 4.002 1.00 21.24 C ATOM 393 OE1 GLU A 25 3.493 15.124 3.548 1.00 62.41 O ATOM 394 OE2 GLU A 25 5.127 16.221 4.504 1.00 22.12 O ATOM 0 H GLU A 25 5.038 11.282 3.442 1.00 13.51 H new ATOM 0 HA GLU A 25 7.177 12.022 5.154 1.00 33.42 H new ATOM 0 HB2 GLU A 25 4.227 12.774 5.212 1.00 15.03 H new ATOM 0 HB3 GLU A 25 5.504 13.609 6.074 1.00 15.03 H new ATOM 0 HG2 GLU A 25 6.566 14.221 3.920 1.00 11.14 H new ATOM 0 HG3 GLU A 25 5.300 13.376 3.051 1.00 11.14 H new ATOM 401 N PHE A 26 4.676 10.298 6.443 1.00 13.02 N ATOM 402 CA PHE A 26 4.220 9.520 7.590 1.00 11.02 C ATOM 403 C PHE A 26 5.214 8.416 7.945 1.00 30.51 C ATOM 404 O PHE A 26 5.430 8.120 9.121 1.00 44.14 O ATOM 405 CB PHE A 26 2.841 8.919 7.297 1.00 34.42 C ATOM 406 CG PHE A 26 2.233 8.190 8.462 1.00 52.23 C ATOM 407 CD1 PHE A 26 1.568 8.884 9.459 1.00 1.15 C ATOM 408 CD2 PHE A 26 2.324 6.811 8.558 1.00 11.50 C ATOM 409 CE1 PHE A 26 1.004 8.218 10.530 1.00 53.10 C ATOM 410 CE2 PHE A 26 1.762 6.139 9.626 1.00 43.23 C ATOM 411 CZ PHE A 26 1.101 6.843 10.613 1.00 53.23 C ATOM 0 H PHE A 26 4.036 10.280 5.649 1.00 13.02 H new ATOM 0 HA PHE A 26 4.147 10.189 8.447 1.00 11.02 H new ATOM 0 HB2 PHE A 26 2.166 9.717 6.989 1.00 34.42 H new ATOM 0 HB3 PHE A 26 2.927 8.231 6.456 1.00 34.42 H new ATOM 0 HD1 PHE A 26 1.489 9.959 9.399 1.00 1.15 H new ATOM 0 HD2 PHE A 26 2.840 6.255 7.789 1.00 11.50 H new ATOM 0 HE1 PHE A 26 0.488 8.772 11.301 1.00 53.10 H new ATOM 0 HE2 PHE A 26 1.840 5.064 9.689 1.00 43.23 H new ATOM 0 HZ PHE A 26 0.661 6.319 11.448 1.00 53.23 H new ATOM 421 N LEU A 27 5.829 7.822 6.927 1.00 43.02 N ATOM 422 CA LEU A 27 6.810 6.759 7.136 1.00 20.44 C ATOM 423 C LEU A 27 7.951 7.238 8.029 1.00 33.44 C ATOM 424 O LEU A 27 8.505 6.477 8.819 1.00 5.23 O ATOM 425 CB LEU A 27 7.388 6.283 5.799 1.00 33.20 C ATOM 426 CG LEU A 27 6.368 5.781 4.775 1.00 5.23 C ATOM 427 CD1 LEU A 27 7.068 5.312 3.510 1.00 3.15 C ATOM 428 CD2 LEU A 27 5.524 4.661 5.364 1.00 32.50 C ATOM 0 H LEU A 27 5.666 8.058 5.948 1.00 43.02 H new ATOM 0 HA LEU A 27 6.296 5.931 7.624 1.00 20.44 H new ATOM 0 HB2 LEU A 27 7.948 7.105 5.353 1.00 33.20 H new ATOM 0 HB3 LEU A 27 8.101 5.482 5.997 1.00 33.20 H new ATOM 0 HG LEU A 27 5.707 6.608 4.516 1.00 5.23 H new ATOM 0 HD11 LEU A 27 6.326 4.959 2.794 1.00 3.15 H new ATOM 0 HD12 LEU A 27 7.627 6.141 3.075 1.00 3.15 H new ATOM 0 HD13 LEU A 27 7.753 4.500 3.753 1.00 3.15 H new ATOM 0 HD21 LEU A 27 4.805 4.318 4.620 1.00 32.50 H new ATOM 0 HD22 LEU A 27 6.170 3.832 5.654 1.00 32.50 H new ATOM 0 HD23 LEU A 27 4.991 5.029 6.241 1.00 32.50 H new ATOM 440 N GLN A 28 8.272 8.515 7.919 1.00 1.24 N ATOM 441 CA GLN A 28 9.425 9.079 8.602 1.00 25.33 C ATOM 442 C GLN A 28 9.078 9.549 10.015 1.00 72.21 C ATOM 443 O GLN A 28 9.969 9.878 10.798 1.00 14.21 O ATOM 444 CB GLN A 28 9.991 10.238 7.784 1.00 15.22 C ATOM 445 CG GLN A 28 10.479 9.818 6.407 1.00 51.50 C ATOM 446 CD GLN A 28 10.946 10.988 5.561 1.00 63.35 C ATOM 447 OE1 GLN A 28 11.428 11.995 6.080 1.00 52.42 O ATOM 448 NE2 GLN A 28 10.809 10.858 4.249 1.00 75.22 N ATOM 0 H GLN A 28 7.746 9.186 7.359 1.00 1.24 H new ATOM 0 HA GLN A 28 10.176 8.295 8.696 1.00 25.33 H new ATOM 0 HB2 GLN A 28 9.224 11.004 7.672 1.00 15.22 H new ATOM 0 HB3 GLN A 28 10.817 10.692 8.332 1.00 15.22 H new ATOM 0 HG2 GLN A 28 11.298 9.108 6.519 1.00 51.50 H new ATOM 0 HG3 GLN A 28 9.675 9.298 5.886 1.00 51.50 H new ATOM 0 HE21 GLN A 28 10.404 10.006 3.860 1.00 75.22 H new ATOM 0 HE22 GLN A 28 11.108 11.610 3.628 1.00 75.22 H new ATOM 457 N THR A 29 7.792 9.579 10.344 1.00 13.52 N ATOM 458 CA THR A 29 7.361 10.079 11.645 1.00 25.03 C ATOM 459 C THR A 29 6.670 8.987 12.472 1.00 11.44 C ATOM 460 O THR A 29 6.198 9.242 13.583 1.00 42.23 O ATOM 461 CB THR A 29 6.421 11.302 11.490 1.00 34.53 C ATOM 462 OG1 THR A 29 6.104 11.857 12.773 1.00 0.04 O ATOM 463 CG2 THR A 29 5.133 10.924 10.774 1.00 22.33 C ATOM 0 H THR A 29 7.036 9.267 9.735 1.00 13.52 H new ATOM 0 HA THR A 29 8.258 10.392 12.179 1.00 25.03 H new ATOM 0 HB THR A 29 6.948 12.045 10.891 1.00 34.53 H new ATOM 0 HG1 THR A 29 5.960 11.132 13.417 1.00 0.04 H new ATOM 0 HG21 THR A 29 4.496 11.804 10.682 1.00 22.33 H new ATOM 0 HG22 THR A 29 5.368 10.540 9.781 1.00 22.33 H new ATOM 0 HG23 THR A 29 4.611 10.157 11.345 1.00 22.33 H new ATOM 471 N GLU A 30 6.630 7.772 11.945 1.00 63.25 N ATOM 472 CA GLU A 30 5.988 6.667 12.628 1.00 11.44 C ATOM 473 C GLU A 30 6.847 5.414 12.575 1.00 32.20 C ATOM 474 O GLU A 30 7.056 4.825 11.521 1.00 64.33 O ATOM 475 CB GLU A 30 4.609 6.386 12.040 1.00 22.40 C ATOM 476 CG GLU A 30 3.488 6.701 13.011 1.00 52.22 C ATOM 477 CD GLU A 30 3.685 6.015 14.347 1.00 70.33 C ATOM 478 OE1 GLU A 30 3.921 4.788 14.359 1.00 44.32 O ATOM 479 OE2 GLU A 30 3.635 6.703 15.387 1.00 43.54 O ATOM 0 H GLU A 30 7.038 7.529 11.042 1.00 63.25 H new ATOM 0 HA GLU A 30 5.866 6.955 13.672 1.00 11.44 H new ATOM 0 HB2 GLU A 30 4.477 6.977 11.134 1.00 22.40 H new ATOM 0 HB3 GLU A 30 4.549 5.337 11.748 1.00 22.40 H new ATOM 0 HG2 GLU A 30 3.431 7.779 13.162 1.00 52.22 H new ATOM 0 HG3 GLU A 30 2.537 6.389 12.580 1.00 52.22 H new ATOM 486 N PRO A 31 7.377 5.025 13.728 1.00 43.01 N ATOM 487 CA PRO A 31 8.179 3.807 13.891 1.00 45.02 C ATOM 488 C PRO A 31 7.405 2.519 13.608 1.00 0.35 C ATOM 489 O PRO A 31 7.965 1.548 13.091 1.00 14.32 O ATOM 490 CB PRO A 31 8.593 3.854 15.366 1.00 34.34 C ATOM 491 CG PRO A 31 7.601 4.759 16.014 1.00 72.32 C ATOM 492 CD PRO A 31 7.264 5.783 14.975 1.00 44.30 C ATOM 0 HA PRO A 31 9.009 3.788 13.185 1.00 45.02 H new ATOM 0 HB2 PRO A 31 8.573 2.860 15.814 1.00 34.34 H new ATOM 0 HB3 PRO A 31 9.608 4.234 15.480 1.00 34.34 H new ATOM 0 HG2 PRO A 31 6.713 4.210 16.328 1.00 72.32 H new ATOM 0 HG3 PRO A 31 8.018 5.226 16.906 1.00 72.32 H new ATOM 0 HD2 PRO A 31 6.261 6.186 15.114 1.00 44.30 H new ATOM 0 HD3 PRO A 31 7.953 6.627 15.000 1.00 44.30 H new ATOM 500 N VAL A 32 6.123 2.510 13.940 1.00 51.13 N ATOM 501 CA VAL A 32 5.337 1.279 13.885 1.00 12.24 C ATOM 502 C VAL A 32 4.119 1.403 12.965 1.00 51.31 C ATOM 503 O VAL A 32 3.758 0.447 12.279 1.00 74.22 O ATOM 504 CB VAL A 32 4.889 0.842 15.304 1.00 40.11 C ATOM 505 CG1 VAL A 32 4.022 1.904 15.967 1.00 2.20 C ATOM 506 CG2 VAL A 32 4.166 -0.496 15.259 1.00 42.02 C ATOM 0 H VAL A 32 5.605 3.332 14.249 1.00 51.13 H new ATOM 0 HA VAL A 32 5.989 0.513 13.465 1.00 12.24 H new ATOM 0 HB VAL A 32 5.788 0.723 15.909 1.00 40.11 H new ATOM 0 HG11 VAL A 32 3.726 1.565 16.960 1.00 2.20 H new ATOM 0 HG12 VAL A 32 4.587 2.832 16.054 1.00 2.20 H new ATOM 0 HG13 VAL A 32 3.132 2.076 15.362 1.00 2.20 H new ATOM 0 HG21 VAL A 32 3.862 -0.780 16.267 1.00 42.02 H new ATOM 0 HG22 VAL A 32 3.284 -0.412 14.624 1.00 42.02 H new ATOM 0 HG23 VAL A 32 4.833 -1.257 14.853 1.00 42.02 H new ATOM 516 N GLY A 33 3.523 2.589 12.913 1.00 62.11 N ATOM 517 CA GLY A 33 2.292 2.780 12.161 1.00 31.22 C ATOM 518 C GLY A 33 2.490 2.738 10.658 1.00 32.25 C ATOM 519 O GLY A 33 1.546 2.951 9.892 1.00 52.24 O ATOM 0 H GLY A 33 3.871 3.427 13.380 1.00 62.11 H new ATOM 0 HA2 GLY A 33 1.577 2.009 12.447 1.00 31.22 H new ATOM 0 HA3 GLY A 33 1.853 3.739 12.435 1.00 31.22 H new ATOM 523 N LYS A 34 3.713 2.456 10.233 1.00 42.34 N ATOM 524 CA LYS A 34 4.030 2.369 8.818 1.00 22.03 C ATOM 525 C LYS A 34 3.359 1.166 8.173 1.00 21.11 C ATOM 526 O LYS A 34 3.186 1.133 6.961 1.00 44.24 O ATOM 527 CB LYS A 34 5.537 2.281 8.600 1.00 2.33 C ATOM 528 CG LYS A 34 6.287 3.537 8.994 1.00 1.25 C ATOM 529 CD LYS A 34 7.766 3.441 8.652 1.00 64.32 C ATOM 530 CE LYS A 34 8.451 2.305 9.396 1.00 4.35 C ATOM 531 NZ LYS A 34 9.915 2.285 9.143 1.00 2.04 N ATOM 0 H LYS A 34 4.505 2.283 10.853 1.00 42.34 H new ATOM 0 HA LYS A 34 3.651 3.277 8.349 1.00 22.03 H new ATOM 0 HB2 LYS A 34 5.929 1.440 9.173 1.00 2.33 H new ATOM 0 HB3 LYS A 34 5.731 2.068 7.549 1.00 2.33 H new ATOM 0 HG2 LYS A 34 5.851 4.396 8.484 1.00 1.25 H new ATOM 0 HG3 LYS A 34 6.172 3.709 10.064 1.00 1.25 H new ATOM 0 HD2 LYS A 34 7.881 3.292 7.578 1.00 64.32 H new ATOM 0 HD3 LYS A 34 8.257 4.383 8.898 1.00 64.32 H new ATOM 0 HE2 LYS A 34 8.268 2.408 10.466 1.00 4.35 H new ATOM 0 HE3 LYS A 34 8.016 1.354 9.089 1.00 4.35 H new ATOM 0 HZ1 LYS A 34 10.347 1.497 9.667 1.00 2.04 H new ATOM 0 HZ2 LYS A 34 10.090 2.161 8.125 1.00 2.04 H new ATOM 0 HZ3 LYS A 34 10.334 3.183 9.460 1.00 2.04 H new ATOM 545 N ASP A 35 2.977 0.180 8.977 1.00 55.45 N ATOM 546 CA ASP A 35 2.340 -1.019 8.444 1.00 61.31 C ATOM 547 C ASP A 35 0.983 -0.664 7.844 1.00 23.31 C ATOM 548 O ASP A 35 0.607 -1.174 6.785 1.00 43.31 O ATOM 549 CB ASP A 35 2.197 -2.105 9.523 1.00 35.04 C ATOM 550 CG ASP A 35 1.167 -1.773 10.587 1.00 53.44 C ATOM 551 OD1 ASP A 35 1.171 -0.632 11.089 1.00 42.25 O ATOM 552 OD2 ASP A 35 0.354 -2.658 10.928 1.00 62.41 O ATOM 0 H ASP A 35 3.095 0.186 9.990 1.00 55.45 H new ATOM 0 HA ASP A 35 2.977 -1.425 7.658 1.00 61.31 H new ATOM 0 HB2 ASP A 35 1.923 -3.046 9.046 1.00 35.04 H new ATOM 0 HB3 ASP A 35 3.164 -2.260 10.001 1.00 35.04 H new ATOM 557 N GLU A 36 0.269 0.242 8.503 1.00 54.32 N ATOM 558 CA GLU A 36 -0.989 0.740 7.967 1.00 1.01 C ATOM 559 C GLU A 36 -0.714 1.664 6.786 1.00 64.41 C ATOM 560 O GLU A 36 -1.459 1.680 5.806 1.00 34.01 O ATOM 561 CB GLU A 36 -1.800 1.469 9.044 1.00 24.30 C ATOM 562 CG GLU A 36 -3.172 1.922 8.565 1.00 23.53 C ATOM 563 CD GLU A 36 -4.033 2.474 9.682 1.00 41.22 C ATOM 564 OE1 GLU A 36 -4.430 1.692 10.570 1.00 24.04 O ATOM 565 OE2 GLU A 36 -4.338 3.686 9.671 1.00 0.52 O ATOM 0 H GLU A 36 0.538 0.643 9.402 1.00 54.32 H new ATOM 0 HA GLU A 36 -1.581 -0.109 7.627 1.00 1.01 H new ATOM 0 HB2 GLU A 36 -1.923 0.810 9.904 1.00 24.30 H new ATOM 0 HB3 GLU A 36 -1.238 2.338 9.386 1.00 24.30 H new ATOM 0 HG2 GLU A 36 -3.049 2.685 7.796 1.00 23.53 H new ATOM 0 HG3 GLU A 36 -3.685 1.080 8.100 1.00 23.53 H new ATOM 572 N ALA A 37 0.376 2.416 6.883 1.00 53.20 N ATOM 573 CA ALA A 37 0.778 3.327 5.823 1.00 32.24 C ATOM 574 C ALA A 37 1.093 2.569 4.536 1.00 60.41 C ATOM 575 O ALA A 37 0.537 2.875 3.485 1.00 61.32 O ATOM 576 CB ALA A 37 1.977 4.152 6.261 1.00 22.23 C ATOM 0 H ALA A 37 0.999 2.411 7.691 1.00 53.20 H new ATOM 0 HA ALA A 37 -0.056 4.000 5.621 1.00 32.24 H new ATOM 0 HB1 ALA A 37 2.266 4.829 5.457 1.00 22.23 H new ATOM 0 HB2 ALA A 37 1.716 4.731 7.147 1.00 22.23 H new ATOM 0 HB3 ALA A 37 2.810 3.488 6.494 1.00 22.23 H new ATOM 582 N TYR A 38 1.967 1.566 4.631 1.00 34.21 N ATOM 583 CA TYR A 38 2.348 0.762 3.471 1.00 51.14 C ATOM 584 C TYR A 38 1.128 0.087 2.856 1.00 41.50 C ATOM 585 O TYR A 38 1.034 -0.046 1.633 1.00 10.45 O ATOM 586 CB TYR A 38 3.388 -0.298 3.845 1.00 44.35 C ATOM 587 CG TYR A 38 4.767 0.263 4.116 1.00 10.32 C ATOM 588 CD1 TYR A 38 5.432 1.014 3.156 1.00 21.23 C ATOM 589 CD2 TYR A 38 5.404 0.038 5.327 1.00 60.32 C ATOM 590 CE1 TYR A 38 6.692 1.528 3.398 1.00 63.24 C ATOM 591 CE2 TYR A 38 6.663 0.548 5.578 1.00 63.11 C ATOM 592 CZ TYR A 38 7.305 1.290 4.613 1.00 35.40 C ATOM 593 OH TYR A 38 8.560 1.799 4.866 1.00 4.20 O ATOM 0 H TYR A 38 2.424 1.292 5.500 1.00 34.21 H new ATOM 0 HA TYR A 38 2.789 1.438 2.739 1.00 51.14 H new ATOM 0 HB2 TYR A 38 3.044 -0.833 4.730 1.00 44.35 H new ATOM 0 HB3 TYR A 38 3.456 -1.027 3.038 1.00 44.35 H new ATOM 0 HD1 TYR A 38 4.957 1.200 2.204 1.00 21.23 H new ATOM 0 HD2 TYR A 38 4.907 -0.546 6.087 1.00 60.32 H new ATOM 0 HE1 TYR A 38 7.195 2.112 2.641 1.00 63.24 H new ATOM 0 HE2 TYR A 38 7.142 0.365 6.529 1.00 63.11 H new ATOM 0 HH TYR A 38 8.843 1.539 5.767 1.00 4.20 H new ATOM 603 N TYR A 39 0.195 -0.331 3.708 1.00 50.14 N ATOM 604 CA TYR A 39 -1.061 -0.906 3.242 1.00 64.20 C ATOM 605 C TYR A 39 -1.803 0.101 2.366 1.00 12.23 C ATOM 606 O TYR A 39 -2.264 -0.232 1.273 1.00 33.42 O ATOM 607 CB TYR A 39 -1.933 -1.321 4.435 1.00 71.44 C ATOM 608 CG TYR A 39 -3.284 -1.884 4.044 1.00 22.15 C ATOM 609 CD1 TYR A 39 -3.417 -3.205 3.636 1.00 55.22 C ATOM 610 CD2 TYR A 39 -4.426 -1.093 4.088 1.00 3.53 C ATOM 611 CE1 TYR A 39 -4.649 -3.721 3.278 1.00 12.23 C ATOM 612 CE2 TYR A 39 -5.660 -1.600 3.732 1.00 2.40 C ATOM 613 CZ TYR A 39 -5.768 -2.913 3.327 1.00 53.31 C ATOM 614 OH TYR A 39 -7.000 -3.417 2.976 1.00 63.32 O ATOM 0 H TYR A 39 0.286 -0.282 4.723 1.00 50.14 H new ATOM 0 HA TYR A 39 -0.843 -1.794 2.649 1.00 64.20 H new ATOM 0 HB2 TYR A 39 -1.396 -2.066 5.022 1.00 71.44 H new ATOM 0 HB3 TYR A 39 -2.084 -0.455 5.080 1.00 71.44 H new ATOM 0 HD1 TYR A 39 -2.544 -3.840 3.598 1.00 55.22 H new ATOM 0 HD2 TYR A 39 -4.347 -0.064 4.406 1.00 3.53 H new ATOM 0 HE1 TYR A 39 -4.736 -4.750 2.962 1.00 12.23 H new ATOM 0 HE2 TYR A 39 -6.537 -0.970 3.771 1.00 2.40 H new ATOM 0 HH TYR A 39 -7.679 -2.716 3.068 1.00 63.32 H new ATOM 624 N LEU A 40 -1.892 1.336 2.846 1.00 62.41 N ATOM 625 CA LEU A 40 -2.549 2.406 2.107 1.00 41.34 C ATOM 626 C LEU A 40 -1.796 2.723 0.822 1.00 41.12 C ATOM 627 O LEU A 40 -2.406 2.931 -0.226 1.00 11.14 O ATOM 628 CB LEU A 40 -2.646 3.665 2.969 1.00 32.33 C ATOM 629 CG LEU A 40 -3.446 3.514 4.262 1.00 32.20 C ATOM 630 CD1 LEU A 40 -3.423 4.812 5.050 1.00 62.41 C ATOM 631 CD2 LEU A 40 -4.878 3.094 3.963 1.00 12.42 C ATOM 0 H LEU A 40 -1.515 1.622 3.750 1.00 62.41 H new ATOM 0 HA LEU A 40 -3.552 2.068 1.849 1.00 41.34 H new ATOM 0 HB2 LEU A 40 -1.637 3.990 3.222 1.00 32.33 H new ATOM 0 HB3 LEU A 40 -3.097 4.459 2.373 1.00 32.33 H new ATOM 0 HG LEU A 40 -2.983 2.733 4.865 1.00 32.20 H new ATOM 0 HD11 LEU A 40 -3.997 4.690 5.969 1.00 62.41 H new ATOM 0 HD12 LEU A 40 -2.393 5.070 5.297 1.00 62.41 H new ATOM 0 HD13 LEU A 40 -3.863 5.609 4.451 1.00 62.41 H new ATOM 0 HD21 LEU A 40 -5.430 2.992 4.897 1.00 12.42 H new ATOM 0 HD22 LEU A 40 -5.356 3.850 3.340 1.00 12.42 H new ATOM 0 HD23 LEU A 40 -4.875 2.139 3.438 1.00 12.42 H new ATOM 643 N MET A 41 -0.471 2.755 0.909 1.00 1.21 N ATOM 644 CA MET A 41 0.371 3.027 -0.252 1.00 41.34 C ATOM 645 C MET A 41 0.127 1.984 -1.332 1.00 3.02 C ATOM 646 O MET A 41 -0.154 2.321 -2.481 1.00 40.34 O ATOM 647 CB MET A 41 1.850 3.040 0.145 1.00 65.23 C ATOM 648 CG MET A 41 2.157 4.014 1.265 1.00 74.03 C ATOM 649 SD MET A 41 3.880 4.000 1.791 1.00 75.25 S ATOM 650 CE MET A 41 4.611 5.113 0.593 1.00 14.42 C ATOM 0 H MET A 41 0.045 2.596 1.774 1.00 1.21 H new ATOM 0 HA MET A 41 0.111 4.010 -0.644 1.00 41.34 H new ATOM 0 HB2 MET A 41 2.146 2.037 0.452 1.00 65.23 H new ATOM 0 HB3 MET A 41 2.452 3.297 -0.727 1.00 65.23 H new ATOM 0 HG2 MET A 41 1.894 5.021 0.940 1.00 74.03 H new ATOM 0 HG3 MET A 41 1.524 3.780 2.121 1.00 74.03 H new ATOM 0 HE1 MET A 41 5.643 4.817 0.404 1.00 14.42 H new ATOM 0 HE2 MET A 41 4.044 5.069 -0.337 1.00 14.42 H new ATOM 0 HE3 MET A 41 4.591 6.131 0.983 1.00 14.42 H new ATOM 660 N GLY A 42 0.207 0.717 -0.946 1.00 70.44 N ATOM 661 CA GLY A 42 -0.048 -0.361 -1.879 1.00 15.53 C ATOM 662 C GLY A 42 -1.460 -0.321 -2.425 1.00 21.03 C ATOM 663 O GLY A 42 -1.689 -0.625 -3.593 1.00 22.12 O ATOM 0 H GLY A 42 0.445 0.417 -0.000 1.00 70.44 H new ATOM 0 HA2 GLY A 42 0.661 -0.300 -2.705 1.00 15.53 H new ATOM 0 HA3 GLY A 42 0.121 -1.317 -1.383 1.00 15.53 H new ATOM 667 N ASN A 43 -2.407 0.069 -1.581 1.00 31.12 N ATOM 668 CA ASN A 43 -3.804 0.165 -1.985 1.00 71.22 C ATOM 669 C ASN A 43 -3.983 1.290 -3.002 1.00 21.43 C ATOM 670 O ASN A 43 -4.771 1.176 -3.941 1.00 15.45 O ATOM 671 CB ASN A 43 -4.688 0.399 -0.755 1.00 21.43 C ATOM 672 CG ASN A 43 -6.169 0.297 -1.062 1.00 74.14 C ATOM 673 OD1 ASN A 43 -6.576 -0.383 -2.003 1.00 75.32 O ATOM 674 ND2 ASN A 43 -6.986 0.955 -0.253 1.00 43.15 N ATOM 0 H ASN A 43 -2.232 0.325 -0.609 1.00 31.12 H new ATOM 0 HA ASN A 43 -4.105 -0.771 -2.455 1.00 71.22 H new ATOM 0 HB2 ASN A 43 -4.431 -0.329 0.014 1.00 21.43 H new ATOM 0 HB3 ASN A 43 -4.475 1.386 -0.344 1.00 21.43 H new ATOM 0 HD21 ASN A 43 -7.994 0.909 -0.399 1.00 43.15 H new ATOM 0 HD22 ASN A 43 -6.607 1.508 0.516 1.00 43.15 H new ATOM 681 N ALA A 44 -3.229 2.367 -2.812 1.00 14.23 N ATOM 682 CA ALA A 44 -3.237 3.487 -3.741 1.00 74.43 C ATOM 683 C ALA A 44 -2.702 3.063 -5.105 1.00 50.52 C ATOM 684 O ALA A 44 -3.304 3.363 -6.136 1.00 25.42 O ATOM 685 CB ALA A 44 -2.419 4.642 -3.184 1.00 31.31 C ATOM 0 H ALA A 44 -2.601 2.487 -2.017 1.00 14.23 H new ATOM 0 HA ALA A 44 -4.267 3.819 -3.868 1.00 74.43 H new ATOM 0 HB1 ALA A 44 -2.434 5.472 -3.890 1.00 31.31 H new ATOM 0 HB2 ALA A 44 -2.845 4.965 -2.234 1.00 31.31 H new ATOM 0 HB3 ALA A 44 -1.390 4.317 -3.028 1.00 31.31 H new ATOM 691 N TYR A 45 -1.575 2.354 -5.106 1.00 74.24 N ATOM 692 CA TYR A 45 -1.001 1.841 -6.350 1.00 24.41 C ATOM 693 C TYR A 45 -1.940 0.835 -7.010 1.00 34.41 C ATOM 694 O TYR A 45 -2.076 0.810 -8.235 1.00 32.14 O ATOM 695 CB TYR A 45 0.361 1.190 -6.105 1.00 73.51 C ATOM 696 CG TYR A 45 1.449 2.168 -5.729 1.00 45.34 C ATOM 697 CD1 TYR A 45 1.949 3.071 -6.659 1.00 51.41 C ATOM 698 CD2 TYR A 45 1.976 2.188 -4.447 1.00 73.44 C ATOM 699 CE1 TYR A 45 2.948 3.964 -6.319 1.00 21.52 C ATOM 700 CE2 TYR A 45 2.973 3.075 -4.099 1.00 11.35 C ATOM 701 CZ TYR A 45 3.455 3.962 -5.036 1.00 12.45 C ATOM 702 OH TYR A 45 4.453 4.842 -4.690 1.00 12.42 O ATOM 0 H TYR A 45 -1.044 2.122 -4.267 1.00 74.24 H new ATOM 0 HA TYR A 45 -0.866 2.691 -7.019 1.00 24.41 H new ATOM 0 HB2 TYR A 45 0.261 0.450 -5.311 1.00 73.51 H new ATOM 0 HB3 TYR A 45 0.663 0.654 -7.004 1.00 73.51 H new ATOM 0 HD1 TYR A 45 1.551 3.075 -7.663 1.00 51.41 H new ATOM 0 HD2 TYR A 45 1.599 1.497 -3.708 1.00 73.44 H new ATOM 0 HE1 TYR A 45 3.329 4.659 -7.053 1.00 21.52 H new ATOM 0 HE2 TYR A 45 3.374 3.074 -3.096 1.00 11.35 H new ATOM 0 HH TYR A 45 4.695 4.709 -3.750 1.00 12.42 H new ATOM 712 N ARG A 46 -2.589 0.016 -6.192 1.00 63.24 N ATOM 713 CA ARG A 46 -3.556 -0.961 -6.681 1.00 53.32 C ATOM 714 C ARG A 46 -4.757 -0.270 -7.336 1.00 34.24 C ATOM 715 O ARG A 46 -5.390 -0.826 -8.235 1.00 20.01 O ATOM 716 CB ARG A 46 -3.983 -1.891 -5.531 1.00 53.22 C ATOM 717 CG ARG A 46 -5.329 -2.573 -5.723 1.00 65.02 C ATOM 718 CD ARG A 46 -6.387 -1.899 -4.872 1.00 12.34 C ATOM 719 NE ARG A 46 -7.746 -2.299 -5.229 1.00 24.23 N ATOM 720 CZ ARG A 46 -8.823 -1.971 -4.514 1.00 33.52 C ATOM 721 NH1 ARG A 46 -8.693 -1.277 -3.390 1.00 23.22 N ATOM 722 NH2 ARG A 46 -10.028 -2.344 -4.918 1.00 21.42 N ATOM 0 H ARG A 46 -2.462 0.009 -5.180 1.00 63.24 H new ATOM 0 HA ARG A 46 -3.086 -1.570 -7.453 1.00 53.32 H new ATOM 0 HB2 ARG A 46 -3.219 -2.658 -5.401 1.00 53.22 H new ATOM 0 HB3 ARG A 46 -4.014 -1.312 -4.608 1.00 53.22 H new ATOM 0 HG2 ARG A 46 -5.618 -2.533 -6.773 1.00 65.02 H new ATOM 0 HG3 ARG A 46 -5.252 -3.626 -5.453 1.00 65.02 H new ATOM 0 HD2 ARG A 46 -6.208 -2.137 -3.823 1.00 12.34 H new ATOM 0 HD3 ARG A 46 -6.294 -0.818 -4.974 1.00 12.34 H new ATOM 0 HE ARG A 46 -7.878 -2.860 -6.071 1.00 24.23 H new ATOM 0 HH11 ARG A 46 -7.767 -0.993 -3.070 1.00 23.22 H new ATOM 0 HH12 ARG A 46 -9.519 -1.028 -2.846 1.00 23.22 H new ATOM 0 HH21 ARG A 46 -10.134 -2.883 -5.777 1.00 21.42 H new ATOM 0 HH22 ARG A 46 -10.850 -2.092 -4.370 1.00 21.42 H new ATOM 736 N LYS A 47 -5.064 0.944 -6.889 1.00 71.11 N ATOM 737 CA LYS A 47 -6.102 1.751 -7.521 1.00 0.52 C ATOM 738 C LYS A 47 -5.610 2.335 -8.844 1.00 30.31 C ATOM 739 O LYS A 47 -6.380 2.483 -9.791 1.00 5.13 O ATOM 740 CB LYS A 47 -6.555 2.878 -6.593 1.00 52.00 C ATOM 741 CG LYS A 47 -7.695 2.496 -5.663 1.00 25.14 C ATOM 742 CD LYS A 47 -8.059 3.652 -4.746 1.00 75.21 C ATOM 743 CE LYS A 47 -9.375 3.407 -4.023 1.00 32.44 C ATOM 744 NZ LYS A 47 -10.549 3.531 -4.932 1.00 15.21 N ATOM 0 H LYS A 47 -4.609 1.390 -6.092 1.00 71.11 H new ATOM 0 HA LYS A 47 -6.952 1.098 -7.722 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -5.705 3.204 -5.994 1.00 52.00 H new ATOM 0 HB3 LYS A 47 -6.864 3.730 -7.198 1.00 52.00 H new ATOM 0 HG2 LYS A 47 -8.566 2.204 -6.250 1.00 25.14 H new ATOM 0 HG3 LYS A 47 -7.408 1.630 -5.066 1.00 25.14 H new ATOM 0 HD2 LYS A 47 -7.264 3.800 -4.015 1.00 75.21 H new ATOM 0 HD3 LYS A 47 -8.130 4.570 -5.329 1.00 75.21 H new ATOM 0 HE2 LYS A 47 -9.364 2.411 -3.580 1.00 32.44 H new ATOM 0 HE3 LYS A 47 -9.475 4.119 -3.204 1.00 32.44 H new ATOM 0 HZ1 LYS A 47 -11.424 3.542 -4.370 1.00 15.21 H new ATOM 0 HZ2 LYS A 47 -10.475 4.415 -5.475 1.00 15.21 H new ATOM 0 HZ3 LYS A 47 -10.568 2.723 -5.586 1.00 15.21 H new ATOM 758 N LEU A 48 -4.326 2.671 -8.903 1.00 45.40 N ATOM 759 CA LEU A 48 -3.735 3.224 -10.120 1.00 40.25 C ATOM 760 C LEU A 48 -3.640 2.160 -11.204 1.00 15.25 C ATOM 761 O LEU A 48 -3.895 2.423 -12.381 1.00 53.52 O ATOM 762 CB LEU A 48 -2.340 3.788 -9.840 1.00 52.22 C ATOM 763 CG LEU A 48 -2.287 4.963 -8.866 1.00 2.43 C ATOM 764 CD1 LEU A 48 -0.848 5.404 -8.656 1.00 34.32 C ATOM 765 CD2 LEU A 48 -3.137 6.122 -9.372 1.00 4.31 C ATOM 0 H LEU A 48 -3.674 2.571 -8.125 1.00 45.40 H new ATOM 0 HA LEU A 48 -4.383 4.030 -10.465 1.00 40.25 H new ATOM 0 HB2 LEU A 48 -1.715 2.986 -9.448 1.00 52.22 H new ATOM 0 HB3 LEU A 48 -1.898 4.103 -10.786 1.00 52.22 H new ATOM 0 HG LEU A 48 -2.695 4.639 -7.909 1.00 2.43 H new ATOM 0 HD11 LEU A 48 -0.822 6.242 -7.960 1.00 34.32 H new ATOM 0 HD12 LEU A 48 -0.269 4.575 -8.248 1.00 34.32 H new ATOM 0 HD13 LEU A 48 -0.419 5.711 -9.610 1.00 34.32 H new ATOM 0 HD21 LEU A 48 -3.085 6.948 -8.663 1.00 4.31 H new ATOM 0 HD22 LEU A 48 -2.763 6.452 -10.341 1.00 4.31 H new ATOM 0 HD23 LEU A 48 -4.172 5.796 -9.474 1.00 4.31 H new ATOM 777 N GLY A 49 -3.266 0.958 -10.798 1.00 51.21 N ATOM 778 CA GLY A 49 -3.120 -0.131 -11.737 1.00 22.51 C ATOM 779 C GLY A 49 -1.717 -0.691 -11.745 1.00 35.42 C ATOM 780 O GLY A 49 -1.451 -1.704 -12.389 1.00 31.34 O ATOM 0 H GLY A 49 -3.060 0.717 -9.829 1.00 51.21 H new ATOM 0 HA2 GLY A 49 -3.825 -0.923 -11.485 1.00 22.51 H new ATOM 0 HA3 GLY A 49 -3.377 0.217 -12.738 1.00 22.51 H new ATOM 784 N ASP A 50 -0.809 -0.030 -11.038 1.00 23.13 N ATOM 785 CA ASP A 50 0.555 -0.525 -10.927 1.00 13.13 C ATOM 786 C ASP A 50 0.609 -1.586 -9.843 1.00 40.20 C ATOM 787 O ASP A 50 0.595 -1.280 -8.649 1.00 12.13 O ATOM 788 CB ASP A 50 1.552 0.597 -10.617 1.00 52.22 C ATOM 789 CG ASP A 50 2.994 0.133 -10.770 1.00 15.43 C ATOM 790 OD1 ASP A 50 3.416 -0.784 -10.035 1.00 65.42 O ATOM 791 OD2 ASP A 50 3.703 0.658 -11.654 1.00 3.21 O ATOM 0 H ASP A 50 -0.990 0.841 -10.538 1.00 23.13 H new ATOM 0 HA ASP A 50 0.842 -0.952 -11.888 1.00 13.13 H new ATOM 0 HB2 ASP A 50 1.369 1.440 -11.284 1.00 52.22 H new ATOM 0 HB3 ASP A 50 1.392 0.955 -9.600 1.00 52.22 H new ATOM 796 N TRP A 51 0.652 -2.832 -10.271 1.00 3.34 N ATOM 797 CA TRP A 51 0.577 -3.955 -9.359 1.00 51.11 C ATOM 798 C TRP A 51 1.910 -4.189 -8.659 1.00 45.43 C ATOM 799 O TRP A 51 1.943 -4.579 -7.497 1.00 1.30 O ATOM 800 CB TRP A 51 0.146 -5.207 -10.118 1.00 22.43 C ATOM 801 CG TRP A 51 -1.130 -5.021 -10.883 1.00 54.54 C ATOM 802 CD1 TRP A 51 -1.276 -4.984 -12.241 1.00 31.01 C ATOM 803 CD2 TRP A 51 -2.440 -4.834 -10.335 1.00 65.42 C ATOM 804 NE1 TRP A 51 -2.597 -4.794 -12.569 1.00 63.22 N ATOM 805 CE2 TRP A 51 -3.330 -4.696 -11.414 1.00 12.03 C ATOM 806 CE3 TRP A 51 -2.942 -4.768 -9.034 1.00 4.53 C ATOM 807 CZ2 TRP A 51 -4.697 -4.505 -11.228 1.00 71.43 C ATOM 808 CZ3 TRP A 51 -4.295 -4.579 -8.850 1.00 44.12 C ATOM 809 CH2 TRP A 51 -5.160 -4.446 -9.941 1.00 73.14 C ATOM 0 H TRP A 51 0.739 -3.093 -11.253 1.00 3.34 H new ATOM 0 HA TRP A 51 -0.163 -3.727 -8.592 1.00 51.11 H new ATOM 0 HB2 TRP A 51 0.938 -5.496 -10.809 1.00 22.43 H new ATOM 0 HB3 TRP A 51 0.023 -6.028 -9.412 1.00 22.43 H new ATOM 0 HD1 TRP A 51 -0.471 -5.089 -12.953 1.00 31.01 H new ATOM 0 HE1 TRP A 51 -2.971 -4.735 -13.516 1.00 63.22 H new ATOM 0 HE3 TRP A 51 -2.281 -4.863 -8.185 1.00 4.53 H new ATOM 0 HZ2 TRP A 51 -5.368 -4.407 -12.069 1.00 71.43 H new ATOM 0 HZ3 TRP A 51 -4.694 -4.533 -7.847 1.00 44.12 H new ATOM 0 HH2 TRP A 51 -6.215 -4.294 -9.765 1.00 73.14 H new ATOM 820 N GLN A 52 3.002 -3.925 -9.365 1.00 2.31 N ATOM 821 CA GLN A 52 4.338 -4.159 -8.827 1.00 72.33 C ATOM 822 C GLN A 52 4.600 -3.256 -7.623 1.00 3.54 C ATOM 823 O GLN A 52 5.059 -3.715 -6.574 1.00 44.32 O ATOM 824 CB GLN A 52 5.392 -3.923 -9.913 1.00 74.42 C ATOM 825 CG GLN A 52 6.774 -4.444 -9.556 1.00 1.40 C ATOM 826 CD GLN A 52 6.772 -5.929 -9.237 1.00 45.43 C ATOM 827 OE1 GLN A 52 6.623 -6.329 -8.082 1.00 62.44 O ATOM 828 NE2 GLN A 52 6.918 -6.758 -10.260 1.00 3.14 N ATOM 0 H GLN A 52 2.990 -3.548 -10.313 1.00 2.31 H new ATOM 0 HA GLN A 52 4.402 -5.195 -8.496 1.00 72.33 H new ATOM 0 HB2 GLN A 52 5.062 -4.401 -10.835 1.00 74.42 H new ATOM 0 HB3 GLN A 52 5.459 -2.854 -10.114 1.00 74.42 H new ATOM 0 HG2 GLN A 52 7.455 -4.255 -10.386 1.00 1.40 H new ATOM 0 HG3 GLN A 52 7.156 -3.892 -8.697 1.00 1.40 H new ATOM 0 HE21 GLN A 52 7.039 -6.388 -11.203 1.00 3.14 H new ATOM 0 HE22 GLN A 52 6.909 -7.766 -10.105 1.00 3.14 H new ATOM 837 N LYS A 53 4.292 -1.972 -7.770 1.00 21.33 N ATOM 838 CA LYS A 53 4.438 -1.024 -6.674 1.00 24.02 C ATOM 839 C LYS A 53 3.512 -1.397 -5.522 1.00 14.41 C ATOM 840 O LYS A 53 3.868 -1.236 -4.352 1.00 3.53 O ATOM 841 CB LYS A 53 4.142 0.402 -7.143 1.00 61.04 C ATOM 842 CG LYS A 53 5.238 1.016 -8.006 1.00 20.32 C ATOM 843 CD LYS A 53 6.211 1.856 -7.185 1.00 54.51 C ATOM 844 CE LYS A 53 7.000 1.017 -6.190 1.00 34.00 C ATOM 845 NZ LYS A 53 7.868 1.856 -5.321 1.00 75.40 N ATOM 0 H LYS A 53 3.940 -1.565 -8.637 1.00 21.33 H new ATOM 0 HA LYS A 53 5.470 -1.066 -6.327 1.00 24.02 H new ATOM 0 HB2 LYS A 53 3.209 0.401 -7.707 1.00 61.04 H new ATOM 0 HB3 LYS A 53 3.986 1.035 -6.269 1.00 61.04 H new ATOM 0 HG2 LYS A 53 5.785 0.223 -8.515 1.00 20.32 H new ATOM 0 HG3 LYS A 53 4.785 1.638 -8.778 1.00 20.32 H new ATOM 0 HD2 LYS A 53 6.902 2.366 -7.855 1.00 54.51 H new ATOM 0 HD3 LYS A 53 5.659 2.628 -6.649 1.00 54.51 H new ATOM 0 HE2 LYS A 53 6.310 0.445 -5.570 1.00 34.00 H new ATOM 0 HE3 LYS A 53 7.615 0.297 -6.730 1.00 34.00 H new ATOM 0 HZ1 LYS A 53 8.388 1.247 -4.658 1.00 75.40 H new ATOM 0 HZ2 LYS A 53 8.544 2.383 -5.910 1.00 75.40 H new ATOM 0 HZ3 LYS A 53 7.280 2.526 -4.786 1.00 75.40 H new ATOM 859 N ALA A 54 2.329 -1.898 -5.861 1.00 34.11 N ATOM 860 CA ALA A 54 1.376 -2.351 -4.860 1.00 52.42 C ATOM 861 C ALA A 54 1.945 -3.527 -4.076 1.00 23.41 C ATOM 862 O ALA A 54 1.922 -3.531 -2.845 1.00 52.44 O ATOM 863 CB ALA A 54 0.060 -2.739 -5.516 1.00 15.31 C ATOM 0 H ALA A 54 2.009 -2.000 -6.824 1.00 34.11 H new ATOM 0 HA ALA A 54 1.189 -1.531 -4.167 1.00 52.42 H new ATOM 0 HB1 ALA A 54 -0.642 -3.076 -4.753 1.00 15.31 H new ATOM 0 HB2 ALA A 54 -0.356 -1.876 -6.036 1.00 15.31 H new ATOM 0 HB3 ALA A 54 0.233 -3.544 -6.230 1.00 15.31 H new ATOM 869 N LEU A 55 2.469 -4.511 -4.803 1.00 20.35 N ATOM 870 CA LEU A 55 3.063 -5.698 -4.197 1.00 42.33 C ATOM 871 C LEU A 55 4.179 -5.321 -3.238 1.00 11.52 C ATOM 872 O LEU A 55 4.223 -5.805 -2.109 1.00 3.32 O ATOM 873 CB LEU A 55 3.627 -6.631 -5.271 1.00 40.25 C ATOM 874 CG LEU A 55 2.610 -7.189 -6.262 1.00 35.33 C ATOM 875 CD1 LEU A 55 3.311 -8.043 -7.304 1.00 62.23 C ATOM 876 CD2 LEU A 55 1.539 -7.992 -5.539 1.00 35.24 C ATOM 0 H LEU A 55 2.494 -4.508 -5.823 1.00 20.35 H new ATOM 0 HA LEU A 55 2.274 -6.210 -3.646 1.00 42.33 H new ATOM 0 HB2 LEU A 55 4.393 -6.092 -5.829 1.00 40.25 H new ATOM 0 HB3 LEU A 55 4.122 -7.467 -4.777 1.00 40.25 H new ATOM 0 HG LEU A 55 2.122 -6.355 -6.767 1.00 35.33 H new ATOM 0 HD11 LEU A 55 2.576 -8.436 -8.006 1.00 62.23 H new ATOM 0 HD12 LEU A 55 4.039 -7.436 -7.842 1.00 62.23 H new ATOM 0 HD13 LEU A 55 3.822 -8.871 -6.812 1.00 62.23 H new ATOM 0 HD21 LEU A 55 0.824 -8.381 -6.264 1.00 35.24 H new ATOM 0 HD22 LEU A 55 2.004 -8.822 -5.007 1.00 35.24 H new ATOM 0 HD23 LEU A 55 1.021 -7.349 -4.827 1.00 35.24 H new ATOM 888 N ASN A 56 5.075 -4.457 -3.698 1.00 14.12 N ATOM 889 CA ASN A 56 6.225 -4.044 -2.898 1.00 63.24 C ATOM 890 C ASN A 56 5.789 -3.336 -1.622 1.00 51.22 C ATOM 891 O ASN A 56 6.358 -3.560 -0.554 1.00 63.45 O ATOM 892 CB ASN A 56 7.155 -3.134 -3.708 1.00 4.25 C ATOM 893 CG ASN A 56 7.845 -3.869 -4.841 1.00 21.12 C ATOM 894 OD1 ASN A 56 8.091 -5.072 -4.759 1.00 64.02 O ATOM 895 ND2 ASN A 56 8.172 -3.154 -5.905 1.00 34.22 N ATOM 0 H ASN A 56 5.029 -4.027 -4.622 1.00 14.12 H new ATOM 0 HA ASN A 56 6.769 -4.947 -2.620 1.00 63.24 H new ATOM 0 HB2 ASN A 56 6.580 -2.303 -4.116 1.00 4.25 H new ATOM 0 HB3 ASN A 56 7.907 -2.706 -3.045 1.00 4.25 H new ATOM 0 HD21 ASN A 56 8.644 -3.598 -6.693 1.00 34.22 H new ATOM 0 HD22 ASN A 56 7.952 -2.159 -5.938 1.00 34.22 H new ATOM 902 N ASN A 57 4.771 -2.492 -1.724 1.00 53.12 N ATOM 903 CA ASN A 57 4.284 -1.764 -0.560 1.00 23.44 C ATOM 904 C ASN A 57 3.518 -2.687 0.380 1.00 54.31 C ATOM 905 O ASN A 57 3.676 -2.603 1.598 1.00 44.52 O ATOM 906 CB ASN A 57 3.426 -0.566 -0.970 1.00 3.35 C ATOM 907 CG ASN A 57 4.268 0.643 -1.333 1.00 33.43 C ATOM 908 OD1 ASN A 57 4.597 1.461 -0.478 1.00 53.45 O ATOM 909 ND2 ASN A 57 4.625 0.767 -2.600 1.00 24.22 N ATOM 0 H ASN A 57 4.271 -2.296 -2.591 1.00 53.12 H new ATOM 0 HA ASN A 57 5.152 -1.380 -0.024 1.00 23.44 H new ATOM 0 HB2 ASN A 57 2.803 -0.842 -1.821 1.00 3.35 H new ATOM 0 HB3 ASN A 57 2.753 -0.306 -0.153 1.00 3.35 H new ATOM 0 HD21 ASN A 57 5.192 1.562 -2.895 1.00 24.22 H new ATOM 0 HD22 ASN A 57 4.333 0.068 -3.283 1.00 24.22 H new ATOM 916 N TYR A 58 2.707 -3.582 -0.179 1.00 63.43 N ATOM 917 CA TYR A 58 2.031 -4.594 0.630 1.00 74.44 C ATOM 918 C TYR A 58 3.061 -5.464 1.340 1.00 62.43 C ATOM 919 O TYR A 58 2.933 -5.751 2.526 1.00 64.24 O ATOM 920 CB TYR A 58 1.117 -5.481 -0.222 1.00 53.53 C ATOM 921 CG TYR A 58 -0.158 -4.815 -0.693 1.00 51.22 C ATOM 922 CD1 TYR A 58 -0.806 -3.867 0.089 1.00 62.13 C ATOM 923 CD2 TYR A 58 -0.727 -5.158 -1.914 1.00 34.10 C ATOM 924 CE1 TYR A 58 -1.983 -3.279 -0.335 1.00 60.34 C ATOM 925 CE2 TYR A 58 -1.902 -4.571 -2.345 1.00 13.42 C ATOM 926 CZ TYR A 58 -2.527 -3.635 -1.552 1.00 54.42 C ATOM 927 OH TYR A 58 -3.699 -3.056 -1.977 1.00 4.11 O ATOM 0 H TYR A 58 2.503 -3.628 -1.177 1.00 63.43 H new ATOM 0 HA TYR A 58 1.414 -4.074 1.363 1.00 74.44 H new ATOM 0 HB2 TYR A 58 1.675 -5.822 -1.094 1.00 53.53 H new ATOM 0 HB3 TYR A 58 0.855 -6.368 0.355 1.00 53.53 H new ATOM 0 HD1 TYR A 58 -0.384 -3.585 1.042 1.00 62.13 H new ATOM 0 HD2 TYR A 58 -0.243 -5.896 -2.537 1.00 34.10 H new ATOM 0 HE1 TYR A 58 -2.475 -2.544 0.284 1.00 60.34 H new ATOM 0 HE2 TYR A 58 -2.328 -4.845 -3.299 1.00 13.42 H new ATOM 0 HH TYR A 58 -3.943 -3.417 -2.855 1.00 4.11 H new ATOM 937 N GLN A 59 4.091 -5.866 0.599 1.00 4.44 N ATOM 938 CA GLN A 59 5.171 -6.680 1.146 1.00 72.10 C ATOM 939 C GLN A 59 5.838 -5.968 2.316 1.00 50.42 C ATOM 940 O GLN A 59 6.100 -6.577 3.350 1.00 73.23 O ATOM 941 CB GLN A 59 6.205 -6.983 0.057 1.00 2.33 C ATOM 942 CG GLN A 59 7.362 -7.860 0.518 1.00 64.20 C ATOM 943 CD GLN A 59 6.924 -9.255 0.916 1.00 72.43 C ATOM 944 OE1 GLN A 59 6.871 -10.162 0.086 1.00 11.14 O ATOM 945 NE2 GLN A 59 6.618 -9.443 2.190 1.00 13.00 N ATOM 0 H GLN A 59 4.199 -5.638 -0.389 1.00 4.44 H new ATOM 0 HA GLN A 59 4.749 -7.618 1.506 1.00 72.10 H new ATOM 0 HB2 GLN A 59 5.703 -7.473 -0.778 1.00 2.33 H new ATOM 0 HB3 GLN A 59 6.605 -6.042 -0.319 1.00 2.33 H new ATOM 0 HG2 GLN A 59 8.099 -7.931 -0.282 1.00 64.20 H new ATOM 0 HG3 GLN A 59 7.856 -7.385 1.365 1.00 64.20 H new ATOM 0 HE21 GLN A 59 6.674 -8.666 2.848 1.00 13.00 H new ATOM 0 HE22 GLN A 59 6.326 -10.365 2.514 1.00 13.00 H new ATOM 954 N SER A 60 6.090 -4.676 2.150 1.00 51.30 N ATOM 955 CA SER A 60 6.717 -3.875 3.193 1.00 63.34 C ATOM 956 C SER A 60 5.862 -3.861 4.463 1.00 53.22 C ATOM 957 O SER A 60 6.388 -3.890 5.576 1.00 15.11 O ATOM 958 CB SER A 60 6.949 -2.451 2.686 1.00 33.45 C ATOM 959 OG SER A 60 7.729 -2.458 1.499 1.00 23.21 O ATOM 0 H SER A 60 5.869 -4.159 1.299 1.00 51.30 H new ATOM 0 HA SER A 60 7.678 -4.324 3.443 1.00 63.34 H new ATOM 0 HB2 SER A 60 5.991 -1.968 2.494 1.00 33.45 H new ATOM 0 HB3 SER A 60 7.453 -1.864 3.454 1.00 33.45 H new ATOM 0 HG SER A 60 7.191 -2.804 0.756 1.00 23.21 H new ATOM 965 N ALA A 61 4.544 -3.831 4.291 1.00 53.31 N ATOM 966 CA ALA A 61 3.630 -3.888 5.424 1.00 22.13 C ATOM 967 C ALA A 61 3.668 -5.267 6.076 1.00 52.43 C ATOM 968 O ALA A 61 3.686 -5.385 7.301 1.00 22.23 O ATOM 969 CB ALA A 61 2.218 -3.544 4.985 1.00 34.32 C ATOM 0 H ALA A 61 4.087 -3.768 3.381 1.00 53.31 H new ATOM 0 HA ALA A 61 3.950 -3.152 6.162 1.00 22.13 H new ATOM 0 HB1 ALA A 61 1.548 -3.591 5.844 1.00 34.32 H new ATOM 0 HB2 ALA A 61 2.202 -2.537 4.567 1.00 34.32 H new ATOM 0 HB3 ALA A 61 1.889 -4.256 4.228 1.00 34.32 H new ATOM 975 N ILE A 62 3.694 -6.303 5.241 1.00 60.31 N ATOM 976 CA ILE A 62 3.790 -7.683 5.709 1.00 62.13 C ATOM 977 C ILE A 62 5.082 -7.900 6.492 1.00 34.14 C ATOM 978 O ILE A 62 5.098 -8.590 7.513 1.00 61.00 O ATOM 979 CB ILE A 62 3.745 -8.681 4.527 1.00 33.21 C ATOM 980 CG1 ILE A 62 2.441 -8.522 3.742 1.00 54.40 C ATOM 981 CG2 ILE A 62 3.895 -10.115 5.024 1.00 14.54 C ATOM 982 CD1 ILE A 62 2.369 -9.386 2.501 1.00 21.31 C ATOM 0 H ILE A 62 3.649 -6.210 4.226 1.00 60.31 H new ATOM 0 HA ILE A 62 2.934 -7.863 6.359 1.00 62.13 H new ATOM 0 HB ILE A 62 4.580 -8.460 3.862 1.00 33.21 H new ATOM 0 HG12 ILE A 62 1.603 -8.767 4.394 1.00 54.40 H new ATOM 0 HG13 ILE A 62 2.326 -7.477 3.454 1.00 54.40 H new ATOM 0 HG21 ILE A 62 3.860 -10.799 4.176 1.00 14.54 H new ATOM 0 HG22 ILE A 62 4.849 -10.224 5.539 1.00 14.54 H new ATOM 0 HG23 ILE A 62 3.083 -10.348 5.712 1.00 14.54 H new ATOM 0 HD11 ILE A 62 1.417 -9.220 1.997 1.00 21.31 H new ATOM 0 HD12 ILE A 62 3.186 -9.126 1.828 1.00 21.31 H new ATOM 0 HD13 ILE A 62 2.452 -10.436 2.783 1.00 21.31 H new ATOM 994 N GLU A 63 6.164 -7.304 6.009 1.00 53.34 N ATOM 995 CA GLU A 63 7.463 -7.440 6.650 1.00 42.43 C ATOM 996 C GLU A 63 7.477 -6.783 8.026 1.00 11.15 C ATOM 997 O GLU A 63 8.177 -7.244 8.929 1.00 30.21 O ATOM 998 CB GLU A 63 8.561 -6.857 5.764 1.00 4.44 C ATOM 999 CG GLU A 63 8.788 -7.659 4.493 1.00 33.52 C ATOM 1000 CD GLU A 63 9.882 -7.087 3.620 1.00 24.22 C ATOM 1001 OE1 GLU A 63 11.066 -7.374 3.877 1.00 5.31 O ATOM 1002 OE2 GLU A 63 9.563 -6.349 2.667 1.00 15.30 O ATOM 0 H GLU A 63 6.166 -6.720 5.173 1.00 53.34 H new ATOM 0 HA GLU A 63 7.656 -8.504 6.789 1.00 42.43 H new ATOM 0 HB2 GLU A 63 8.300 -5.832 5.499 1.00 4.44 H new ATOM 0 HB3 GLU A 63 9.491 -6.813 6.330 1.00 4.44 H new ATOM 0 HG2 GLU A 63 9.042 -8.685 4.758 1.00 33.52 H new ATOM 0 HG3 GLU A 63 7.859 -7.697 3.924 1.00 33.52 H new ATOM 1009 N LEU A 64 6.705 -5.717 8.191 1.00 65.14 N ATOM 1010 CA LEU A 64 6.578 -5.073 9.492 1.00 13.23 C ATOM 1011 C LEU A 64 5.628 -5.868 10.377 1.00 34.21 C ATOM 1012 O LEU A 64 5.999 -6.313 11.464 1.00 75.31 O ATOM 1013 CB LEU A 64 6.075 -3.634 9.344 1.00 4.31 C ATOM 1014 CG LEU A 64 7.018 -2.685 8.610 1.00 63.14 C ATOM 1015 CD1 LEU A 64 6.431 -1.285 8.579 1.00 31.02 C ATOM 1016 CD2 LEU A 64 8.389 -2.678 9.268 1.00 11.22 C ATOM 0 H LEU A 64 6.161 -5.282 7.446 1.00 65.14 H new ATOM 0 HA LEU A 64 7.564 -5.045 9.957 1.00 13.23 H new ATOM 0 HB2 LEU A 64 5.122 -3.653 8.816 1.00 4.31 H new ATOM 0 HB3 LEU A 64 5.881 -3.230 10.338 1.00 4.31 H new ATOM 0 HG LEU A 64 7.136 -3.035 7.584 1.00 63.14 H new ATOM 0 HD11 LEU A 64 7.112 -0.616 8.053 1.00 31.02 H new ATOM 0 HD12 LEU A 64 5.471 -1.304 8.063 1.00 31.02 H new ATOM 0 HD13 LEU A 64 6.288 -0.928 9.599 1.00 31.02 H new ATOM 0 HD21 LEU A 64 9.047 -1.995 8.730 1.00 11.22 H new ATOM 0 HD22 LEU A 64 8.294 -2.350 10.303 1.00 11.22 H new ATOM 0 HD23 LEU A 64 8.810 -3.683 9.243 1.00 11.22 H new ATOM 1028 N ASN A 65 4.412 -6.061 9.895 1.00 53.24 N ATOM 1029 CA ASN A 65 3.419 -6.836 10.618 1.00 2.21 C ATOM 1030 C ASN A 65 2.809 -7.887 9.712 1.00 64.22 C ATOM 1031 O ASN A 65 2.036 -7.564 8.812 1.00 1.55 O ATOM 1032 CB ASN A 65 2.300 -5.947 11.176 1.00 72.14 C ATOM 1033 CG ASN A 65 2.728 -5.129 12.379 1.00 13.04 C ATOM 1034 OD1 ASN A 65 3.654 -5.496 13.101 1.00 25.14 O ATOM 1035 ND2 ASN A 65 2.038 -4.024 12.618 1.00 52.23 N ATOM 0 H ASN A 65 4.088 -5.690 9.002 1.00 53.24 H new ATOM 0 HA ASN A 65 3.930 -7.315 11.453 1.00 2.21 H new ATOM 0 HB2 ASN A 65 1.955 -5.274 10.391 1.00 72.14 H new ATOM 0 HB3 ASN A 65 1.452 -6.573 11.454 1.00 72.14 H new ATOM 0 HD21 ASN A 65 2.268 -3.444 13.425 1.00 52.23 H new ATOM 0 HD22 ASN A 65 1.277 -3.753 11.995 1.00 52.23 H new ATOM 1042 N PRO A 66 3.142 -9.163 9.934 1.00 44.32 N ATOM 1043 CA PRO A 66 2.524 -10.277 9.212 1.00 1.11 C ATOM 1044 C PRO A 66 1.070 -10.473 9.637 1.00 25.20 C ATOM 1045 O PRO A 66 0.375 -11.359 9.148 1.00 54.11 O ATOM 1046 CB PRO A 66 3.373 -11.494 9.610 1.00 75.02 C ATOM 1047 CG PRO A 66 4.584 -10.935 10.281 1.00 11.22 C ATOM 1048 CD PRO A 66 4.160 -9.629 10.880 1.00 10.22 C ATOM 0 HA PRO A 66 2.500 -10.110 8.135 1.00 1.11 H new ATOM 0 HB2 PRO A 66 2.822 -12.154 10.281 1.00 75.02 H new ATOM 0 HB3 PRO A 66 3.646 -12.084 8.735 1.00 75.02 H new ATOM 0 HG2 PRO A 66 4.953 -11.615 11.049 1.00 11.22 H new ATOM 0 HG3 PRO A 66 5.394 -10.791 9.566 1.00 11.22 H new ATOM 0 HD2 PRO A 66 3.754 -9.755 11.884 1.00 10.22 H new ATOM 0 HD3 PRO A 66 4.992 -8.929 10.959 1.00 10.22 H new ATOM 1056 N ASP A 67 0.627 -9.631 10.560 1.00 14.33 N ATOM 1057 CA ASP A 67 -0.739 -9.669 11.065 1.00 54.31 C ATOM 1058 C ASP A 67 -1.606 -8.653 10.327 1.00 52.23 C ATOM 1059 O ASP A 67 -2.823 -8.604 10.506 1.00 13.21 O ATOM 1060 CB ASP A 67 -0.739 -9.370 12.566 1.00 51.35 C ATOM 1061 CG ASP A 67 -2.094 -9.567 13.211 1.00 52.15 C ATOM 1062 OD1 ASP A 67 -2.481 -10.732 13.444 1.00 52.40 O ATOM 1063 OD2 ASP A 67 -2.766 -8.561 13.515 1.00 3.23 O ATOM 0 H ASP A 67 1.204 -8.902 10.980 1.00 14.33 H new ATOM 0 HA ASP A 67 -1.153 -10.663 10.896 1.00 54.31 H new ATOM 0 HB2 ASP A 67 -0.012 -10.015 13.059 1.00 51.35 H new ATOM 0 HB3 ASP A 67 -0.413 -8.342 12.726 1.00 51.35 H new ATOM 1068 N SER A 68 -0.968 -7.851 9.483 1.00 41.30 N ATOM 1069 CA SER A 68 -1.661 -6.799 8.755 1.00 2.01 C ATOM 1070 C SER A 68 -2.546 -7.395 7.656 1.00 72.32 C ATOM 1071 O SER A 68 -2.342 -8.537 7.234 1.00 42.32 O ATOM 1072 CB SER A 68 -0.643 -5.828 8.145 1.00 34.11 C ATOM 1073 OG SER A 68 0.207 -6.488 7.221 1.00 35.31 O ATOM 0 H SER A 68 0.031 -7.911 9.287 1.00 41.30 H new ATOM 0 HA SER A 68 -2.299 -6.256 9.452 1.00 2.01 H new ATOM 0 HB2 SER A 68 -1.168 -5.015 7.643 1.00 34.11 H new ATOM 0 HB3 SER A 68 -0.044 -5.380 8.938 1.00 34.11 H new ATOM 0 HG SER A 68 1.062 -6.694 7.653 1.00 35.31 H new ATOM 1079 N PRO A 69 -3.543 -6.634 7.174 1.00 10.00 N ATOM 1080 CA PRO A 69 -4.409 -7.066 6.072 1.00 54.30 C ATOM 1081 C PRO A 69 -3.676 -7.058 4.731 1.00 13.44 C ATOM 1082 O PRO A 69 -4.220 -7.476 3.707 1.00 62.13 O ATOM 1083 CB PRO A 69 -5.546 -6.029 6.065 1.00 42.23 C ATOM 1084 CG PRO A 69 -5.385 -5.243 7.325 1.00 25.04 C ATOM 1085 CD PRO A 69 -3.929 -5.310 7.675 1.00 74.01 C ATOM 0 HA PRO A 69 -4.757 -8.090 6.209 1.00 54.30 H new ATOM 0 HB2 PRO A 69 -5.481 -5.383 5.190 1.00 42.23 H new ATOM 0 HB3 PRO A 69 -6.520 -6.517 6.030 1.00 42.23 H new ATOM 0 HG2 PRO A 69 -5.704 -4.211 7.183 1.00 25.04 H new ATOM 0 HG3 PRO A 69 -5.997 -5.659 8.125 1.00 25.04 H new ATOM 0 HD2 PRO A 69 -3.359 -4.513 7.197 1.00 74.01 H new ATOM 0 HD3 PRO A 69 -3.765 -5.219 8.749 1.00 74.01 H new ATOM 1093 N ALA A 70 -2.428 -6.599 4.751 1.00 53.43 N ATOM 1094 CA ALA A 70 -1.629 -6.468 3.539 1.00 33.13 C ATOM 1095 C ALA A 70 -1.310 -7.827 2.933 1.00 61.42 C ATOM 1096 O ALA A 70 -1.020 -7.930 1.742 1.00 71.42 O ATOM 1097 CB ALA A 70 -0.348 -5.710 3.834 1.00 10.03 C ATOM 0 H ALA A 70 -1.946 -6.310 5.602 1.00 53.43 H new ATOM 0 HA ALA A 70 -2.215 -5.907 2.811 1.00 33.13 H new ATOM 0 HB1 ALA A 70 0.240 -5.619 2.920 1.00 10.03 H new ATOM 0 HB2 ALA A 70 -0.592 -4.716 4.209 1.00 10.03 H new ATOM 0 HB3 ALA A 70 0.229 -6.250 4.585 1.00 10.03 H new ATOM 1103 N LEU A 71 -1.368 -8.871 3.752 1.00 33.24 N ATOM 1104 CA LEU A 71 -1.140 -10.226 3.272 1.00 34.21 C ATOM 1105 C LEU A 71 -2.225 -10.617 2.282 1.00 34.33 C ATOM 1106 O LEU A 71 -1.941 -11.032 1.156 1.00 51.24 O ATOM 1107 CB LEU A 71 -1.127 -11.225 4.431 1.00 1.42 C ATOM 1108 CG LEU A 71 0.156 -11.270 5.265 1.00 1.41 C ATOM 1109 CD1 LEU A 71 0.285 -10.026 6.125 1.00 51.53 C ATOM 1110 CD2 LEU A 71 0.185 -12.522 6.125 1.00 34.22 C ATOM 0 H LEU A 71 -1.571 -8.804 4.749 1.00 33.24 H new ATOM 0 HA LEU A 71 -0.168 -10.250 2.780 1.00 34.21 H new ATOM 0 HB2 LEU A 71 -1.960 -10.992 5.094 1.00 1.42 H new ATOM 0 HB3 LEU A 71 -1.310 -12.221 4.028 1.00 1.42 H new ATOM 0 HG LEU A 71 1.006 -11.299 4.584 1.00 1.41 H new ATOM 0 HD11 LEU A 71 1.204 -10.081 6.708 1.00 51.53 H new ATOM 0 HD12 LEU A 71 0.313 -9.143 5.486 1.00 51.53 H new ATOM 0 HD13 LEU A 71 -0.569 -9.959 6.799 1.00 51.53 H new ATOM 0 HD21 LEU A 71 1.103 -12.539 6.712 1.00 34.22 H new ATOM 0 HD22 LEU A 71 -0.674 -12.523 6.796 1.00 34.22 H new ATOM 0 HD23 LEU A 71 0.147 -13.404 5.485 1.00 34.22 H new ATOM 1122 N GLN A 72 -3.470 -10.448 2.706 1.00 43.55 N ATOM 1123 CA GLN A 72 -4.611 -10.785 1.874 1.00 22.14 C ATOM 1124 C GLN A 72 -4.681 -9.836 0.687 1.00 12.12 C ATOM 1125 O GLN A 72 -5.077 -10.222 -0.410 1.00 52.45 O ATOM 1126 CB GLN A 72 -5.902 -10.704 2.692 1.00 30.34 C ATOM 1127 CG GLN A 72 -5.831 -11.434 4.026 1.00 2.14 C ATOM 1128 CD GLN A 72 -5.453 -12.897 3.886 1.00 73.31 C ATOM 1129 OE1 GLN A 72 -5.768 -13.541 2.887 1.00 61.54 O ATOM 1130 NE2 GLN A 72 -4.761 -13.425 4.885 1.00 32.45 N ATOM 0 H GLN A 72 -3.713 -10.078 3.625 1.00 43.55 H new ATOM 0 HA GLN A 72 -4.495 -11.805 1.507 1.00 22.14 H new ATOM 0 HB2 GLN A 72 -6.141 -9.656 2.874 1.00 30.34 H new ATOM 0 HB3 GLN A 72 -6.720 -11.120 2.104 1.00 30.34 H new ATOM 0 HG2 GLN A 72 -5.103 -10.937 4.667 1.00 2.14 H new ATOM 0 HG3 GLN A 72 -6.797 -11.361 4.525 1.00 2.14 H new ATOM 0 HE21 GLN A 72 -4.520 -12.855 5.696 1.00 32.45 H new ATOM 0 HE22 GLN A 72 -4.469 -14.401 4.843 1.00 32.45 H new ATOM 1139 N ALA A 73 -4.267 -8.598 0.919 1.00 72.44 N ATOM 1140 CA ALA A 73 -4.270 -7.576 -0.120 1.00 43.03 C ATOM 1141 C ALA A 73 -3.235 -7.879 -1.202 1.00 24.30 C ATOM 1142 O ALA A 73 -3.496 -7.696 -2.392 1.00 62.41 O ATOM 1143 CB ALA A 73 -4.018 -6.208 0.492 1.00 43.33 C ATOM 0 H ALA A 73 -3.923 -8.275 1.823 1.00 72.44 H new ATOM 0 HA ALA A 73 -5.252 -7.577 -0.593 1.00 43.03 H new ATOM 0 HB1 ALA A 73 -4.022 -5.452 -0.293 1.00 43.33 H new ATOM 0 HB2 ALA A 73 -4.801 -5.984 1.216 1.00 43.33 H new ATOM 0 HB3 ALA A 73 -3.050 -6.206 0.992 1.00 43.33 H new ATOM 1149 N ARG A 74 -2.059 -8.350 -0.793 1.00 41.41 N ATOM 1150 CA ARG A 74 -1.013 -8.691 -1.749 1.00 62.42 C ATOM 1151 C ARG A 74 -1.428 -9.916 -2.551 1.00 3.53 C ATOM 1152 O ARG A 74 -1.210 -9.986 -3.759 1.00 1.13 O ATOM 1153 CB ARG A 74 0.319 -8.954 -1.044 1.00 14.20 C ATOM 1154 CG ARG A 74 1.522 -8.714 -1.942 1.00 23.33 C ATOM 1155 CD ARG A 74 2.824 -9.156 -1.294 1.00 10.43 C ATOM 1156 NE ARG A 74 3.005 -10.605 -1.366 1.00 10.12 N ATOM 1157 CZ ARG A 74 4.040 -11.195 -1.973 1.00 41.53 C ATOM 1158 NH1 ARG A 74 5.007 -10.459 -2.513 1.00 53.31 N ATOM 1159 NH2 ARG A 74 4.111 -12.517 -2.035 1.00 4.11 N ATOM 0 H ARG A 74 -1.810 -8.502 0.184 1.00 41.41 H new ATOM 0 HA ARG A 74 -0.877 -7.844 -2.421 1.00 62.42 H new ATOM 0 HB2 ARG A 74 0.393 -8.311 -0.167 1.00 14.20 H new ATOM 0 HB3 ARG A 74 0.338 -9.984 -0.687 1.00 14.20 H new ATOM 0 HG2 ARG A 74 1.385 -9.252 -2.880 1.00 23.33 H new ATOM 0 HG3 ARG A 74 1.583 -7.654 -2.188 1.00 23.33 H new ATOM 0 HD2 ARG A 74 3.661 -8.661 -1.786 1.00 10.43 H new ATOM 0 HD3 ARG A 74 2.836 -8.840 -0.251 1.00 10.43 H new ATOM 0 HE ARG A 74 2.302 -11.200 -0.928 1.00 10.12 H new ATOM 0 HH11 ARG A 74 4.961 -9.441 -2.465 1.00 53.31 H new ATOM 0 HH12 ARG A 74 5.795 -10.912 -2.975 1.00 53.31 H new ATOM 0 HH21 ARG A 74 3.375 -13.087 -1.619 1.00 4.11 H new ATOM 0 HH22 ARG A 74 4.902 -12.964 -2.499 1.00 4.11 H new ATOM 1173 N LYS A 75 -2.042 -10.873 -1.867 1.00 53.25 N ATOM 1174 CA LYS A 75 -2.563 -12.070 -2.515 1.00 3.14 C ATOM 1175 C LYS A 75 -3.701 -11.715 -3.467 1.00 52.21 C ATOM 1176 O LYS A 75 -3.881 -12.357 -4.501 1.00 0.33 O ATOM 1177 CB LYS A 75 -3.036 -13.071 -1.459 1.00 15.24 C ATOM 1178 CG LYS A 75 -1.942 -14.011 -0.975 1.00 50.52 C ATOM 1179 CD LYS A 75 -1.967 -14.199 0.538 1.00 22.10 C ATOM 1180 CE LYS A 75 -3.340 -14.604 1.055 1.00 53.10 C ATOM 1181 NZ LYS A 75 -3.854 -15.845 0.411 1.00 5.03 N ATOM 0 H LYS A 75 -2.192 -10.843 -0.859 1.00 53.25 H new ATOM 0 HA LYS A 75 -1.765 -12.527 -3.099 1.00 3.14 H new ATOM 0 HB2 LYS A 75 -3.436 -12.524 -0.606 1.00 15.24 H new ATOM 0 HB3 LYS A 75 -3.854 -13.661 -1.871 1.00 15.24 H new ATOM 0 HG2 LYS A 75 -2.057 -14.980 -1.461 1.00 50.52 H new ATOM 0 HG3 LYS A 75 -0.970 -13.618 -1.274 1.00 50.52 H new ATOM 0 HD2 LYS A 75 -1.239 -14.960 0.818 1.00 22.10 H new ATOM 0 HD3 LYS A 75 -1.660 -13.271 1.021 1.00 22.10 H new ATOM 0 HE2 LYS A 75 -3.288 -14.754 2.133 1.00 53.10 H new ATOM 0 HE3 LYS A 75 -4.044 -13.790 0.880 1.00 53.10 H new ATOM 0 HZ1 LYS A 75 -4.742 -16.132 0.870 1.00 5.03 H new ATOM 0 HZ2 LYS A 75 -4.028 -15.666 -0.599 1.00 5.03 H new ATOM 0 HZ3 LYS A 75 -3.151 -16.605 0.512 1.00 5.03 H new ATOM 1195 N MET A 76 -4.458 -10.685 -3.111 1.00 0.50 N ATOM 1196 CA MET A 76 -5.520 -10.170 -3.965 1.00 1.23 C ATOM 1197 C MET A 76 -4.927 -9.719 -5.300 1.00 10.13 C ATOM 1198 O MET A 76 -5.391 -10.120 -6.373 1.00 51.22 O ATOM 1199 CB MET A 76 -6.211 -8.996 -3.258 1.00 44.30 C ATOM 1200 CG MET A 76 -7.554 -8.584 -3.849 1.00 53.42 C ATOM 1201 SD MET A 76 -7.440 -7.861 -5.497 1.00 55.00 S ATOM 1202 CE MET A 76 -6.429 -6.416 -5.177 1.00 14.25 C ATOM 0 H MET A 76 -4.354 -10.186 -2.228 1.00 0.50 H new ATOM 0 HA MET A 76 -6.256 -10.950 -4.157 1.00 1.23 H new ATOM 0 HB2 MET A 76 -6.358 -9.259 -2.210 1.00 44.30 H new ATOM 0 HB3 MET A 76 -5.543 -8.135 -3.280 1.00 44.30 H new ATOM 0 HG2 MET A 76 -8.204 -9.458 -3.891 1.00 53.42 H new ATOM 0 HG3 MET A 76 -8.028 -7.866 -3.180 1.00 53.42 H new ATOM 0 HE1 MET A 76 -6.886 -5.542 -5.641 1.00 14.25 H new ATOM 0 HE2 MET A 76 -6.351 -6.257 -4.101 1.00 14.25 H new ATOM 0 HE3 MET A 76 -5.434 -6.569 -5.594 1.00 14.25 H new ATOM 1212 N VAL A 77 -3.881 -8.904 -5.215 1.00 62.02 N ATOM 1213 CA VAL A 77 -3.191 -8.407 -6.398 1.00 71.50 C ATOM 1214 C VAL A 77 -2.523 -9.557 -7.155 1.00 24.31 C ATOM 1215 O VAL A 77 -2.543 -9.595 -8.387 1.00 20.52 O ATOM 1216 CB VAL A 77 -2.142 -7.337 -6.021 1.00 74.43 C ATOM 1217 CG1 VAL A 77 -1.304 -6.945 -7.226 1.00 61.13 C ATOM 1218 CG2 VAL A 77 -2.823 -6.110 -5.425 1.00 24.44 C ATOM 0 H VAL A 77 -3.491 -8.572 -4.333 1.00 62.02 H new ATOM 0 HA VAL A 77 -3.934 -7.944 -7.048 1.00 71.50 H new ATOM 0 HB VAL A 77 -1.477 -7.766 -5.272 1.00 74.43 H new ATOM 0 HG11 VAL A 77 -0.574 -6.191 -6.932 1.00 61.13 H new ATOM 0 HG12 VAL A 77 -0.784 -7.823 -7.609 1.00 61.13 H new ATOM 0 HG13 VAL A 77 -1.952 -6.539 -8.003 1.00 61.13 H new ATOM 0 HG21 VAL A 77 -2.070 -5.366 -5.165 1.00 24.44 H new ATOM 0 HG22 VAL A 77 -3.514 -5.687 -6.154 1.00 24.44 H new ATOM 0 HG23 VAL A 77 -3.373 -6.398 -4.529 1.00 24.44 H new ATOM 1228 N MET A 78 -1.951 -10.500 -6.408 1.00 40.24 N ATOM 1229 CA MET A 78 -1.316 -11.678 -7.000 1.00 3.22 C ATOM 1230 C MET A 78 -2.303 -12.460 -7.853 1.00 42.03 C ATOM 1231 O MET A 78 -1.972 -12.897 -8.953 1.00 52.42 O ATOM 1232 CB MET A 78 -0.741 -12.591 -5.916 1.00 20.04 C ATOM 1233 CG MET A 78 0.576 -12.101 -5.347 1.00 52.13 C ATOM 1234 SD MET A 78 1.868 -12.001 -6.599 1.00 63.24 S ATOM 1235 CE MET A 78 3.237 -11.422 -5.607 1.00 51.15 C ATOM 0 H MET A 78 -1.914 -10.472 -5.389 1.00 40.24 H new ATOM 0 HA MET A 78 -0.503 -11.326 -7.635 1.00 3.22 H new ATOM 0 HB2 MET A 78 -1.466 -12.682 -5.107 1.00 20.04 H new ATOM 0 HB3 MET A 78 -0.599 -13.589 -6.331 1.00 20.04 H new ATOM 0 HG2 MET A 78 0.432 -11.118 -4.898 1.00 52.13 H new ATOM 0 HG3 MET A 78 0.897 -12.772 -4.550 1.00 52.13 H new ATOM 0 HE1 MET A 78 3.975 -10.943 -6.250 1.00 51.15 H new ATOM 0 HE2 MET A 78 2.875 -10.703 -4.872 1.00 51.15 H new ATOM 0 HE3 MET A 78 3.697 -12.266 -5.093 1.00 51.15 H new ATOM 1245 N ASP A 79 -3.512 -12.633 -7.337 1.00 55.42 N ATOM 1246 CA ASP A 79 -4.568 -13.329 -8.071 1.00 44.14 C ATOM 1247 C ASP A 79 -4.850 -12.638 -9.399 1.00 40.44 C ATOM 1248 O ASP A 79 -4.968 -13.289 -10.439 1.00 51.51 O ATOM 1249 CB ASP A 79 -5.855 -13.399 -7.242 1.00 2.30 C ATOM 1250 CG ASP A 79 -6.978 -14.103 -7.980 1.00 15.13 C ATOM 1251 OD1 ASP A 79 -7.074 -15.344 -7.872 1.00 3.04 O ATOM 1252 OD2 ASP A 79 -7.763 -13.424 -8.677 1.00 72.42 O ATOM 0 H ASP A 79 -3.789 -12.302 -6.413 1.00 55.42 H new ATOM 0 HA ASP A 79 -4.221 -14.343 -8.267 1.00 44.14 H new ATOM 0 HB2 ASP A 79 -5.654 -13.922 -6.307 1.00 2.30 H new ATOM 0 HB3 ASP A 79 -6.172 -12.389 -6.981 1.00 2.30 H new ATOM 1257 N ILE A 80 -4.943 -11.315 -9.359 1.00 50.32 N ATOM 1258 CA ILE A 80 -5.201 -10.535 -10.561 1.00 73.24 C ATOM 1259 C ILE A 80 -4.032 -10.655 -11.539 1.00 72.30 C ATOM 1260 O ILE A 80 -4.229 -10.829 -12.743 1.00 12.52 O ATOM 1261 CB ILE A 80 -5.454 -9.048 -10.228 1.00 72.31 C ATOM 1262 CG1 ILE A 80 -6.596 -8.915 -9.220 1.00 63.02 C ATOM 1263 CG2 ILE A 80 -5.777 -8.264 -11.491 1.00 11.14 C ATOM 1264 CD1 ILE A 80 -6.943 -7.480 -8.876 1.00 33.15 C ATOM 0 H ILE A 80 -4.844 -10.761 -8.508 1.00 50.32 H new ATOM 0 HA ILE A 80 -6.101 -10.938 -11.025 1.00 73.24 H new ATOM 0 HB ILE A 80 -4.546 -8.637 -9.787 1.00 72.31 H new ATOM 0 HG12 ILE A 80 -7.482 -9.407 -9.621 1.00 63.02 H new ATOM 0 HG13 ILE A 80 -6.325 -9.443 -8.306 1.00 63.02 H new ATOM 0 HG21 ILE A 80 -5.952 -7.219 -11.236 1.00 11.14 H new ATOM 0 HG22 ILE A 80 -4.940 -8.333 -12.186 1.00 11.14 H new ATOM 0 HG23 ILE A 80 -6.671 -8.678 -11.958 1.00 11.14 H new ATOM 0 HD11 ILE A 80 -7.761 -7.466 -8.156 1.00 33.15 H new ATOM 0 HD12 ILE A 80 -6.071 -6.988 -8.444 1.00 33.15 H new ATOM 0 HD13 ILE A 80 -7.246 -6.952 -9.780 1.00 33.15 H new ATOM 1276 N LEU A 81 -2.817 -10.579 -11.013 1.00 35.33 N ATOM 1277 CA LEU A 81 -1.615 -10.737 -11.830 1.00 43.02 C ATOM 1278 C LEU A 81 -1.538 -12.130 -12.437 1.00 32.42 C ATOM 1279 O LEU A 81 -1.154 -12.289 -13.596 1.00 12.54 O ATOM 1280 CB LEU A 81 -0.361 -10.465 -11.002 1.00 14.25 C ATOM 1281 CG LEU A 81 -0.116 -8.997 -10.678 1.00 23.34 C ATOM 1282 CD1 LEU A 81 1.133 -8.841 -9.829 1.00 63.11 C ATOM 1283 CD2 LEU A 81 0.007 -8.198 -11.963 1.00 1.14 C ATOM 0 H LEU A 81 -2.635 -10.409 -10.024 1.00 35.33 H new ATOM 0 HA LEU A 81 -1.672 -10.010 -12.641 1.00 43.02 H new ATOM 0 HB2 LEU A 81 -0.432 -11.022 -10.068 1.00 14.25 H new ATOM 0 HB3 LEU A 81 0.504 -10.853 -11.540 1.00 14.25 H new ATOM 0 HG LEU A 81 -0.963 -8.615 -10.108 1.00 23.34 H new ATOM 0 HD11 LEU A 81 1.293 -7.786 -9.607 1.00 63.11 H new ATOM 0 HD12 LEU A 81 1.011 -9.393 -8.897 1.00 63.11 H new ATOM 0 HD13 LEU A 81 1.993 -9.232 -10.372 1.00 63.11 H new ATOM 0 HD21 LEU A 81 0.182 -7.149 -11.724 1.00 1.14 H new ATOM 0 HD22 LEU A 81 0.842 -8.580 -12.551 1.00 1.14 H new ATOM 0 HD23 LEU A 81 -0.914 -8.290 -12.538 1.00 1.14 H new ATOM 1295 N ASN A 82 -1.914 -13.128 -11.649 1.00 3.22 N ATOM 1296 CA ASN A 82 -1.938 -14.515 -12.105 1.00 60.11 C ATOM 1297 C ASN A 82 -2.927 -14.674 -13.257 1.00 35.42 C ATOM 1298 O ASN A 82 -2.771 -15.546 -14.115 1.00 1.25 O ATOM 1299 CB ASN A 82 -2.305 -15.444 -10.940 1.00 42.14 C ATOM 1300 CG ASN A 82 -2.259 -16.915 -11.310 1.00 44.43 C ATOM 1301 OD1 ASN A 82 -1.200 -17.542 -11.279 1.00 62.15 O ATOM 1302 ND2 ASN A 82 -3.413 -17.489 -11.620 1.00 2.01 N ATOM 0 H ASN A 82 -2.210 -13.003 -10.681 1.00 3.22 H new ATOM 0 HA ASN A 82 -0.947 -14.789 -12.466 1.00 60.11 H new ATOM 0 HB2 ASN A 82 -1.621 -15.263 -10.111 1.00 42.14 H new ATOM 0 HB3 ASN A 82 -3.306 -15.196 -10.588 1.00 42.14 H new ATOM 0 HD21 ASN A 82 -3.444 -18.484 -11.843 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -4.270 -16.936 -11.635 1.00 2.01 H new ATOM 1309 N PHE A 83 -3.946 -13.822 -13.271 1.00 30.33 N ATOM 1310 CA PHE A 83 -4.915 -13.798 -14.358 1.00 51.23 C ATOM 1311 C PHE A 83 -4.309 -13.145 -15.602 1.00 24.32 C ATOM 1312 O PHE A 83 -4.588 -13.559 -16.726 1.00 33.21 O ATOM 1313 CB PHE A 83 -6.182 -13.049 -13.923 1.00 54.12 C ATOM 1314 CG PHE A 83 -7.257 -13.006 -14.973 1.00 61.20 C ATOM 1315 CD1 PHE A 83 -8.046 -14.118 -15.221 1.00 4.24 C ATOM 1316 CD2 PHE A 83 -7.483 -11.852 -15.707 1.00 20.35 C ATOM 1317 CE1 PHE A 83 -9.037 -14.081 -16.183 1.00 30.15 C ATOM 1318 CE2 PHE A 83 -8.471 -11.810 -16.671 1.00 52.02 C ATOM 1319 CZ PHE A 83 -9.250 -12.925 -16.909 1.00 73.33 C ATOM 0 H PHE A 83 -4.122 -13.136 -12.537 1.00 30.33 H new ATOM 0 HA PHE A 83 -5.185 -14.825 -14.606 1.00 51.23 H new ATOM 0 HB2 PHE A 83 -6.582 -13.523 -13.027 1.00 54.12 H new ATOM 0 HB3 PHE A 83 -5.913 -12.028 -13.651 1.00 54.12 H new ATOM 0 HD1 PHE A 83 -7.884 -15.024 -14.656 1.00 4.24 H new ATOM 0 HD2 PHE A 83 -6.879 -10.976 -15.523 1.00 20.35 H new ATOM 0 HE1 PHE A 83 -9.644 -14.955 -16.367 1.00 30.15 H new ATOM 0 HE2 PHE A 83 -8.634 -10.906 -17.238 1.00 52.02 H new ATOM 0 HZ PHE A 83 -10.024 -12.893 -17.661 1.00 73.33 H new ATOM 1329 N TYR A 84 -3.466 -12.137 -15.395 1.00 42.23 N ATOM 1330 CA TYR A 84 -2.831 -11.427 -16.503 1.00 13.34 C ATOM 1331 C TYR A 84 -1.702 -12.244 -17.128 1.00 43.24 C ATOM 1332 O TYR A 84 -1.876 -12.849 -18.185 1.00 43.14 O ATOM 1333 CB TYR A 84 -2.283 -10.069 -16.052 1.00 50.01 C ATOM 1334 CG TYR A 84 -3.343 -9.026 -15.787 1.00 63.13 C ATOM 1335 CD1 TYR A 84 -4.247 -8.658 -16.776 1.00 34.14 C ATOM 1336 CD2 TYR A 84 -3.427 -8.395 -14.555 1.00 32.23 C ATOM 1337 CE1 TYR A 84 -5.205 -7.690 -16.542 1.00 5.03 C ATOM 1338 CE2 TYR A 84 -4.382 -7.429 -14.314 1.00 64.24 C ATOM 1339 CZ TYR A 84 -5.268 -7.079 -15.308 1.00 34.04 C ATOM 1340 OH TYR A 84 -6.225 -6.117 -15.069 1.00 20.32 O ATOM 0 H TYR A 84 -3.206 -11.793 -14.471 1.00 42.23 H new ATOM 0 HA TYR A 84 -3.605 -11.270 -17.255 1.00 13.34 H new ATOM 0 HB2 TYR A 84 -1.695 -10.211 -15.145 1.00 50.01 H new ATOM 0 HB3 TYR A 84 -1.603 -9.693 -16.817 1.00 50.01 H new ATOM 0 HD1 TYR A 84 -4.200 -9.136 -17.743 1.00 34.14 H new ATOM 0 HD2 TYR A 84 -2.734 -8.664 -13.772 1.00 32.23 H new ATOM 0 HE1 TYR A 84 -5.900 -7.414 -17.321 1.00 5.03 H new ATOM 0 HE2 TYR A 84 -4.434 -6.949 -13.348 1.00 64.24 H new ATOM 0 HH TYR A 84 -6.135 -5.787 -14.151 1.00 20.32 H new ATOM 1350 N ASN A 85 -0.553 -12.273 -16.464 1.00 54.00 N ATOM 1351 CA ASN A 85 0.640 -12.898 -17.028 1.00 2.20 C ATOM 1352 C ASN A 85 1.621 -13.297 -15.934 1.00 21.12 C ATOM 1353 O ASN A 85 1.602 -12.739 -14.839 1.00 75.32 O ATOM 1354 CB ASN A 85 1.324 -11.967 -18.049 1.00 2.23 C ATOM 1355 CG ASN A 85 1.600 -10.550 -17.542 1.00 63.43 C ATOM 1356 OD1 ASN A 85 1.582 -9.596 -18.317 1.00 13.34 O ATOM 1357 ND2 ASN A 85 1.870 -10.392 -16.255 1.00 24.33 N ATOM 0 H ASN A 85 -0.421 -11.872 -15.536 1.00 54.00 H new ATOM 0 HA ASN A 85 0.322 -13.802 -17.548 1.00 2.20 H new ATOM 0 HB2 ASN A 85 2.268 -12.418 -18.355 1.00 2.23 H new ATOM 0 HB3 ASN A 85 0.697 -11.904 -18.939 1.00 2.23 H new ATOM 0 HD21 ASN A 85 2.069 -9.462 -15.886 1.00 24.33 H new ATOM 0 HD22 ASN A 85 1.879 -11.200 -15.633 1.00 24.33 H new ATOM 1364 N LYS A 86 2.485 -14.252 -16.240 1.00 22.43 N ATOM 1365 CA LYS A 86 3.450 -14.747 -15.269 1.00 35.10 C ATOM 1366 C LYS A 86 4.871 -14.377 -15.677 1.00 64.54 C ATOM 1367 O LYS A 86 5.831 -14.754 -15.004 1.00 73.52 O ATOM 1368 CB LYS A 86 3.356 -16.263 -15.153 1.00 52.42 C ATOM 1369 CG LYS A 86 1.952 -16.789 -14.909 1.00 43.23 C ATOM 1370 CD LYS A 86 1.916 -18.300 -15.057 1.00 40.33 C ATOM 1371 CE LYS A 86 2.455 -18.726 -16.412 1.00 53.04 C ATOM 1372 NZ LYS A 86 1.522 -18.381 -17.516 1.00 43.25 N ATOM 0 H LYS A 86 2.538 -14.701 -17.154 1.00 22.43 H new ATOM 0 HA LYS A 86 3.218 -14.286 -14.309 1.00 35.10 H new ATOM 0 HB2 LYS A 86 3.744 -16.710 -16.068 1.00 52.42 H new ATOM 0 HB3 LYS A 86 4.001 -16.593 -14.339 1.00 52.42 H new ATOM 0 HG2 LYS A 86 1.621 -16.508 -13.909 1.00 43.23 H new ATOM 0 HG3 LYS A 86 1.258 -16.332 -15.615 1.00 43.23 H new ATOM 0 HD2 LYS A 86 2.507 -18.761 -14.265 1.00 40.33 H new ATOM 0 HD3 LYS A 86 0.893 -18.656 -14.940 1.00 40.33 H new ATOM 0 HE2 LYS A 86 3.417 -18.245 -16.587 1.00 53.04 H new ATOM 0 HE3 LYS A 86 2.632 -19.802 -16.410 1.00 53.04 H new ATOM 0 HZ1 LYS A 86 1.928 -18.689 -18.423 1.00 43.25 H new ATOM 0 HZ2 LYS A 86 0.612 -18.860 -17.364 1.00 43.25 H new ATOM 0 HZ3 LYS A 86 1.372 -17.352 -17.535 1.00 43.25 H new ATOM 1386 N ASP A 87 4.996 -13.640 -16.779 1.00 3.41 N ATOM 1387 CA ASP A 87 6.303 -13.284 -17.344 1.00 35.34 C ATOM 1388 C ASP A 87 7.212 -12.637 -16.307 1.00 12.32 C ATOM 1389 O ASP A 87 8.405 -12.938 -16.238 1.00 14.30 O ATOM 1390 CB ASP A 87 6.135 -12.350 -18.548 1.00 32.31 C ATOM 1391 CG ASP A 87 5.558 -13.059 -19.755 1.00 73.40 C ATOM 1392 OD1 ASP A 87 4.318 -13.102 -19.888 1.00 22.12 O ATOM 1393 OD2 ASP A 87 6.340 -13.591 -20.570 1.00 53.54 O ATOM 0 H ASP A 87 4.203 -13.273 -17.305 1.00 3.41 H new ATOM 0 HA ASP A 87 6.775 -14.210 -17.672 1.00 35.34 H new ATOM 0 HB2 ASP A 87 5.484 -11.520 -18.272 1.00 32.31 H new ATOM 0 HB3 ASP A 87 7.103 -11.922 -18.810 1.00 32.31 H new ATOM 1398 N MET A 88 6.649 -11.759 -15.492 1.00 75.14 N ATOM 1399 CA MET A 88 7.417 -11.108 -14.440 1.00 74.00 C ATOM 1400 C MET A 88 7.156 -11.788 -13.100 1.00 64.33 C ATOM 1401 O MET A 88 7.880 -11.574 -12.128 1.00 1.31 O ATOM 1402 CB MET A 88 7.062 -9.618 -14.350 1.00 13.13 C ATOM 1403 CG MET A 88 5.770 -9.330 -13.599 1.00 32.21 C ATOM 1404 SD MET A 88 4.340 -10.184 -14.293 1.00 2.30 S ATOM 1405 CE MET A 88 3.102 -9.798 -13.060 1.00 73.30 C ATOM 0 H MET A 88 5.669 -11.481 -15.537 1.00 75.14 H new ATOM 0 HA MET A 88 8.475 -11.197 -14.684 1.00 74.00 H new ATOM 0 HB2 MET A 88 7.880 -9.090 -13.860 1.00 13.13 H new ATOM 0 HB3 MET A 88 6.981 -9.214 -15.359 1.00 13.13 H new ATOM 0 HG2 MET A 88 5.890 -9.624 -12.556 1.00 32.21 H new ATOM 0 HG3 MET A 88 5.584 -8.256 -13.608 1.00 32.21 H new ATOM 0 HE1 MET A 88 2.125 -10.132 -13.409 1.00 73.30 H new ATOM 0 HE2 MET A 88 3.347 -10.306 -12.127 1.00 73.30 H new ATOM 0 HE3 MET A 88 3.079 -8.721 -12.892 1.00 73.30 H new ATOM 1415 N TYR A 89 6.132 -12.636 -13.064 1.00 0.54 N ATOM 1416 CA TYR A 89 5.697 -13.263 -11.832 1.00 53.32 C ATOM 1417 C TYR A 89 6.652 -14.384 -11.446 1.00 52.04 C ATOM 1418 O TYR A 89 6.982 -14.557 -10.274 1.00 61.33 O ATOM 1419 CB TYR A 89 4.270 -13.789 -12.010 1.00 45.53 C ATOM 1420 CG TYR A 89 3.814 -14.726 -10.922 1.00 50.35 C ATOM 1421 CD1 TYR A 89 3.330 -14.245 -9.714 1.00 14.52 C ATOM 1422 CD2 TYR A 89 3.870 -16.097 -11.111 1.00 62.15 C ATOM 1423 CE1 TYR A 89 2.912 -15.110 -8.720 1.00 24.53 C ATOM 1424 CE2 TYR A 89 3.455 -16.970 -10.126 1.00 40.32 C ATOM 1425 CZ TYR A 89 2.978 -16.472 -8.932 1.00 64.34 C ATOM 1426 OH TYR A 89 2.562 -17.339 -7.950 1.00 73.31 O ATOM 0 H TYR A 89 5.588 -12.903 -13.884 1.00 0.54 H new ATOM 0 HA TYR A 89 5.702 -12.530 -11.025 1.00 53.32 H new ATOM 0 HB2 TYR A 89 3.586 -12.942 -12.054 1.00 45.53 H new ATOM 0 HB3 TYR A 89 4.202 -14.304 -12.969 1.00 45.53 H new ATOM 0 HD1 TYR A 89 3.279 -13.179 -9.548 1.00 14.52 H new ATOM 0 HD2 TYR A 89 4.245 -16.489 -12.045 1.00 62.15 H new ATOM 0 HE1 TYR A 89 2.537 -14.723 -7.784 1.00 24.53 H new ATOM 0 HE2 TYR A 89 3.504 -18.036 -10.289 1.00 40.32 H new ATOM 0 HH TYR A 89 1.705 -17.738 -8.207 1.00 73.31 H new ATOM 1436 N ASN A 90 7.118 -15.113 -12.454 1.00 72.30 N ATOM 1437 CA ASN A 90 8.056 -16.215 -12.251 1.00 70.51 C ATOM 1438 C ASN A 90 9.408 -15.699 -11.774 1.00 53.23 C ATOM 1439 O ASN A 90 10.249 -16.467 -11.305 1.00 51.21 O ATOM 1440 CB ASN A 90 8.243 -17.002 -13.551 1.00 74.42 C ATOM 1441 CG ASN A 90 6.958 -17.629 -14.054 1.00 43.54 C ATOM 1442 OD1 ASN A 90 6.095 -18.036 -13.274 1.00 4.33 O ATOM 1443 ND2 ASN A 90 6.818 -17.706 -15.366 1.00 2.23 N ATOM 0 H ASN A 90 6.860 -14.960 -13.429 1.00 72.30 H new ATOM 0 HA ASN A 90 7.640 -16.871 -11.486 1.00 70.51 H new ATOM 0 HB2 ASN A 90 8.641 -16.337 -14.318 1.00 74.42 H new ATOM 0 HB3 ASN A 90 8.985 -17.785 -13.392 1.00 74.42 H new ATOM 0 HD21 ASN A 90 5.973 -18.114 -15.766 1.00 2.23 H new ATOM 0 HD22 ASN A 90 7.555 -17.358 -15.979 1.00 2.23 H new ATOM 1450 N GLN A 91 9.615 -14.396 -11.913 1.00 62.12 N ATOM 1451 CA GLN A 91 10.857 -13.768 -11.490 1.00 44.21 C ATOM 1452 C GLN A 91 10.758 -13.355 -10.027 1.00 41.52 C ATOM 1453 O GLN A 91 11.737 -13.422 -9.281 1.00 1.13 O ATOM 1454 CB GLN A 91 11.163 -12.547 -12.360 1.00 24.33 C ATOM 1455 CG GLN A 91 11.098 -12.831 -13.853 1.00 74.02 C ATOM 1456 CD GLN A 91 11.463 -11.624 -14.695 1.00 14.24 C ATOM 1457 OE1 GLN A 91 12.282 -10.798 -14.295 1.00 1.34 O ATOM 1458 NE2 GLN A 91 10.843 -11.503 -15.859 1.00 62.21 N ATOM 0 H GLN A 91 8.935 -13.752 -12.317 1.00 62.12 H new ATOM 0 HA GLN A 91 11.668 -14.487 -11.604 1.00 44.21 H new ATOM 0 HB2 GLN A 91 10.456 -11.753 -12.119 1.00 24.33 H new ATOM 0 HB3 GLN A 91 12.157 -12.175 -12.112 1.00 24.33 H new ATOM 0 HG2 GLN A 91 11.773 -13.653 -14.092 1.00 74.02 H new ATOM 0 HG3 GLN A 91 10.092 -13.159 -14.113 1.00 74.02 H new ATOM 0 HE21 GLN A 91 10.170 -12.210 -16.154 1.00 62.21 H new ATOM 0 HE22 GLN A 91 11.038 -10.702 -16.460 1.00 62.21 H new ATOM 1467 N LEU A 92 9.564 -12.933 -9.626 1.00 32.42 N ATOM 1468 CA LEU A 92 9.310 -12.536 -8.249 1.00 10.41 C ATOM 1469 C LEU A 92 9.290 -13.762 -7.349 1.00 13.14 C ATOM 1470 O LEU A 92 10.089 -13.887 -6.419 1.00 60.01 O ATOM 1471 CB LEU A 92 7.974 -11.793 -8.144 1.00 51.33 C ATOM 1472 CG LEU A 92 7.863 -10.514 -8.977 1.00 75.23 C ATOM 1473 CD1 LEU A 92 6.470 -9.916 -8.839 1.00 12.05 C ATOM 1474 CD2 LEU A 92 8.922 -9.506 -8.556 1.00 50.04 C ATOM 0 H LEU A 92 8.753 -12.857 -10.240 1.00 32.42 H new ATOM 0 HA LEU A 92 10.109 -11.868 -7.927 1.00 10.41 H new ATOM 0 HB2 LEU A 92 7.176 -12.472 -8.445 1.00 51.33 H new ATOM 0 HB3 LEU A 92 7.800 -11.541 -7.098 1.00 51.33 H new ATOM 0 HG LEU A 92 8.031 -10.766 -10.024 1.00 75.23 H new ATOM 0 HD11 LEU A 92 6.404 -9.007 -9.436 1.00 12.05 H new ATOM 0 HD12 LEU A 92 5.729 -10.635 -9.189 1.00 12.05 H new ATOM 0 HD13 LEU A 92 6.278 -9.678 -7.793 1.00 12.05 H new ATOM 0 HD21 LEU A 92 8.826 -8.604 -9.160 1.00 50.04 H new ATOM 0 HD22 LEU A 92 8.787 -9.254 -7.504 1.00 50.04 H new ATOM 0 HD23 LEU A 92 9.913 -9.937 -8.702 1.00 50.04 H new ATOM 1486 N GLU A 93 8.379 -14.667 -7.642 1.00 42.51 N ATOM 1487 CA GLU A 93 8.274 -15.913 -6.907 1.00 33.15 C ATOM 1488 C GLU A 93 8.063 -17.069 -7.870 1.00 11.51 C ATOM 1489 O GLU A 93 7.107 -17.085 -8.642 1.00 22.35 O ATOM 1490 CB GLU A 93 7.144 -15.861 -5.874 1.00 15.24 C ATOM 1491 CG GLU A 93 7.437 -14.931 -4.707 1.00 61.22 C ATOM 1492 CD GLU A 93 6.367 -14.964 -3.636 1.00 61.41 C ATOM 1493 OE1 GLU A 93 6.439 -15.833 -2.737 1.00 52.42 O ATOM 1494 OE2 GLU A 93 5.457 -14.114 -3.676 1.00 51.54 O ATOM 0 H GLU A 93 7.694 -14.562 -8.391 1.00 42.51 H new ATOM 0 HA GLU A 93 9.208 -16.066 -6.366 1.00 33.15 H new ATOM 0 HB2 GLU A 93 6.227 -15.538 -6.366 1.00 15.24 H new ATOM 0 HB3 GLU A 93 6.964 -16.866 -5.492 1.00 15.24 H new ATOM 0 HG2 GLU A 93 8.394 -15.205 -4.264 1.00 61.22 H new ATOM 0 HG3 GLU A 93 7.538 -13.912 -5.079 1.00 61.22 H new ATOM 1501 N HIS A 94 8.966 -18.038 -7.813 1.00 32.14 N ATOM 1502 CA HIS A 94 8.910 -19.204 -8.690 1.00 25.31 C ATOM 1503 C HIS A 94 7.925 -20.232 -8.132 1.00 64.01 C ATOM 1504 O HIS A 94 7.928 -21.398 -8.520 1.00 20.11 O ATOM 1505 CB HIS A 94 10.312 -19.818 -8.819 1.00 23.12 C ATOM 1506 CG HIS A 94 10.555 -20.543 -10.111 1.00 54.20 C ATOM 1507 ND1 HIS A 94 11.505 -20.142 -11.024 1.00 41.31 N ATOM 1508 CD2 HIS A 94 9.982 -21.652 -10.636 1.00 24.01 C ATOM 1509 CE1 HIS A 94 11.504 -20.969 -12.051 1.00 72.33 C ATOM 1510 NE2 HIS A 94 10.589 -21.895 -11.843 1.00 42.23 N ATOM 0 H HIS A 94 9.753 -18.041 -7.164 1.00 32.14 H new ATOM 0 HA HIS A 94 8.566 -18.898 -9.678 1.00 25.31 H new ATOM 0 HB2 HIS A 94 11.053 -19.026 -8.716 1.00 23.12 H new ATOM 0 HB3 HIS A 94 10.469 -20.511 -7.992 1.00 23.12 H new ATOM 0 HD2 HIS A 94 9.193 -22.237 -10.188 1.00 24.01 H new ATOM 0 HE1 HIS A 94 12.145 -20.899 -12.917 1.00 72.33 H new ATOM 0 HE2 HIS A 94 10.368 -22.665 -12.475 1.00 42.23 H new ATOM 1519 N HIS A 95 7.072 -19.781 -7.227 1.00 25.44 N ATOM 1520 CA HIS A 95 6.117 -20.655 -6.564 1.00 31.44 C ATOM 1521 C HIS A 95 4.727 -20.438 -7.141 1.00 54.24 C ATOM 1522 O HIS A 95 4.462 -19.395 -7.742 1.00 63.02 O ATOM 1523 CB HIS A 95 6.113 -20.394 -5.057 1.00 1.12 C ATOM 1524 CG HIS A 95 7.461 -20.547 -4.424 1.00 24.11 C ATOM 1525 ND1 HIS A 95 7.995 -21.766 -4.074 1.00 54.03 N ATOM 1526 CD2 HIS A 95 8.392 -19.621 -4.092 1.00 73.25 C ATOM 1527 CE1 HIS A 95 9.195 -21.586 -3.553 1.00 54.23 C ATOM 1528 NE2 HIS A 95 9.459 -20.292 -3.556 1.00 73.33 N ATOM 0 H HIS A 95 7.021 -18.806 -6.932 1.00 25.44 H new ATOM 0 HA HIS A 95 6.412 -21.691 -6.734 1.00 31.44 H new ATOM 0 HB2 HIS A 95 5.745 -19.385 -4.871 1.00 1.12 H new ATOM 0 HB3 HIS A 95 5.415 -21.081 -4.579 1.00 1.12 H new ATOM 0 HD2 HIS A 95 8.309 -18.552 -4.225 1.00 73.25 H new ATOM 0 HE1 HIS A 95 9.849 -22.364 -3.187 1.00 54.23 H new ATOM 0 HE2 HIS A 95 10.318 -19.862 -3.214 1.00 73.33 H new ATOM 1537 N HIS A 96 3.854 -21.431 -6.969 1.00 61.41 N ATOM 1538 CA HIS A 96 2.496 -21.390 -7.517 1.00 23.33 C ATOM 1539 C HIS A 96 2.536 -21.437 -9.052 1.00 20.14 C ATOM 1540 O HIS A 96 1.533 -21.221 -9.731 1.00 14.32 O ATOM 1541 CB HIS A 96 1.750 -20.143 -7.003 1.00 70.32 C ATOM 1542 CG HIS A 96 0.323 -20.038 -7.452 1.00 50.31 C ATOM 1543 ND1 HIS A 96 -0.110 -19.089 -8.352 1.00 51.33 N ATOM 1544 CD2 HIS A 96 -0.768 -20.768 -7.126 1.00 5.50 C ATOM 1545 CE1 HIS A 96 -1.403 -19.240 -8.559 1.00 21.04 C ATOM 1546 NE2 HIS A 96 -1.829 -20.253 -7.830 1.00 41.23 N ATOM 0 H HIS A 96 4.066 -22.283 -6.449 1.00 61.41 H new ATOM 0 HA HIS A 96 1.947 -22.268 -7.176 1.00 23.33 H new ATOM 0 HB2 HIS A 96 1.775 -20.145 -5.913 1.00 70.32 H new ATOM 0 HB3 HIS A 96 2.287 -19.253 -7.332 1.00 70.32 H new ATOM 0 HD2 HIS A 96 -0.799 -21.601 -6.440 1.00 5.50 H new ATOM 0 HE1 HIS A 96 -2.011 -18.636 -9.215 1.00 21.04 H new ATOM 0 HE2 HIS A 96 -2.788 -20.597 -7.795 1.00 41.23 H new ATOM 1555 N HIS A 97 3.704 -21.754 -9.594 1.00 15.30 N ATOM 1556 CA HIS A 97 3.869 -21.885 -11.033 1.00 11.31 C ATOM 1557 C HIS A 97 3.427 -23.275 -11.472 1.00 3.52 C ATOM 1558 O HIS A 97 4.226 -24.210 -11.509 1.00 31.22 O ATOM 1559 CB HIS A 97 5.332 -21.626 -11.432 1.00 72.03 C ATOM 1560 CG HIS A 97 5.601 -21.724 -12.906 1.00 64.33 C ATOM 1561 ND1 HIS A 97 5.550 -20.642 -13.754 1.00 13.44 N ATOM 1562 CD2 HIS A 97 5.941 -22.785 -13.678 1.00 51.13 C ATOM 1563 CE1 HIS A 97 5.841 -21.032 -14.981 1.00 72.12 C ATOM 1564 NE2 HIS A 97 6.085 -22.329 -14.965 1.00 2.40 N ATOM 0 H HIS A 97 4.553 -21.925 -9.056 1.00 15.30 H new ATOM 0 HA HIS A 97 3.248 -21.143 -11.534 1.00 11.31 H new ATOM 0 HB2 HIS A 97 5.619 -20.632 -11.088 1.00 72.03 H new ATOM 0 HB3 HIS A 97 5.970 -22.340 -10.911 1.00 72.03 H new ATOM 0 HD1 HIS A 97 5.323 -19.687 -13.478 1.00 13.44 H new ATOM 0 HD2 HIS A 97 6.074 -23.803 -13.342 1.00 51.13 H new ATOM 0 HE1 HIS A 97 5.874 -20.396 -15.853 1.00 72.12 H new ATOM 1573 N HIS A 98 2.146 -23.418 -11.767 1.00 53.00 N ATOM 1574 CA HIS A 98 1.602 -24.707 -12.161 1.00 33.31 C ATOM 1575 C HIS A 98 1.114 -24.649 -13.601 1.00 4.23 C ATOM 1576 O HIS A 98 0.586 -23.626 -14.047 1.00 63.14 O ATOM 1577 CB HIS A 98 0.464 -25.108 -11.221 1.00 25.43 C ATOM 1578 CG HIS A 98 0.172 -26.577 -11.208 1.00 30.10 C ATOM 1579 ND1 HIS A 98 0.970 -27.492 -10.559 1.00 34.40 N ATOM 1580 CD2 HIS A 98 -0.841 -27.290 -11.755 1.00 23.15 C ATOM 1581 CE1 HIS A 98 0.463 -28.700 -10.707 1.00 42.43 C ATOM 1582 NE2 HIS A 98 -0.637 -28.608 -11.427 1.00 51.40 N ATOM 0 H HIS A 98 1.464 -22.660 -11.741 1.00 53.00 H new ATOM 0 HA HIS A 98 2.387 -25.460 -12.092 1.00 33.31 H new ATOM 0 HB2 HIS A 98 0.713 -24.789 -10.209 1.00 25.43 H new ATOM 0 HB3 HIS A 98 -0.439 -24.571 -11.511 1.00 25.43 H new ATOM 0 HD2 HIS A 98 -1.658 -26.895 -12.341 1.00 23.15 H new ATOM 0 HE1 HIS A 98 0.879 -29.612 -10.306 1.00 42.43 H new ATOM 0 HE2 HIS A 98 -1.238 -29.387 -11.696 1.00 51.40 H new ATOM 1591 N HIS A 99 1.315 -25.735 -14.328 1.00 24.12 N ATOM 1592 CA HIS A 99 0.903 -25.814 -15.721 1.00 34.23 C ATOM 1593 C HIS A 99 -0.081 -26.962 -15.914 1.00 11.02 C ATOM 1594 O HIS A 99 -0.165 -27.858 -15.070 1.00 52.03 O ATOM 1595 CB HIS A 99 2.136 -26.001 -16.616 1.00 14.32 C ATOM 1596 CG HIS A 99 1.831 -26.108 -18.080 1.00 14.33 C ATOM 1597 ND1 HIS A 99 1.456 -25.034 -18.854 1.00 71.41 N ATOM 1598 CD2 HIS A 99 1.861 -27.174 -18.912 1.00 42.04 C ATOM 1599 CE1 HIS A 99 1.268 -25.434 -20.096 1.00 12.25 C ATOM 1600 NE2 HIS A 99 1.508 -26.729 -20.161 1.00 12.14 N ATOM 0 H HIS A 99 1.764 -26.580 -13.975 1.00 24.12 H new ATOM 0 HA HIS A 99 0.404 -24.886 -16.001 1.00 34.23 H new ATOM 0 HB2 HIS A 99 2.814 -25.162 -16.459 1.00 14.32 H new ATOM 0 HB3 HIS A 99 2.665 -26.901 -16.301 1.00 14.32 H new ATOM 0 HD2 HIS A 99 2.116 -28.188 -18.643 1.00 42.04 H new ATOM 0 HE1 HIS A 99 0.968 -24.806 -20.922 1.00 12.25 H new ATOM 0 HE2 HIS A 99 1.442 -27.304 -21.001 1.00 12.14 H new TER 1609 HIS A 99