USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 86 ASN : amide:sc= -0.307 K(o=0.79,f=-12!) USER MOD Set 1.2: A 89 SER OG : rot 45:sc= 1.1 USER MOD Set 2.1: A 32 HIS : no HD1:sc= -0.493 K(o=-0.76,f=0.17) USER MOD Set 2.2: A 34 SER OG : rot 180:sc= -0.263 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -150:sc= -3.45 (180deg=-4.98!) USER MOD Set 3.2: A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -112:sc= -0.0114 (180deg=-0.104) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0285 (180deg=-0.318) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.129 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.93 K(o=-2.9,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.2!) USER MOD Single : A 19 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.4!) USER MOD Single : A 30 ASN : amide:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 31 THR OG1 : rot 11:sc= 0.68 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 37 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3!) USER MOD Single : A 45 THR OG1 : rot -160:sc= -2 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.229 (180deg=-0.989) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= -0.48 (180deg=-0.758) USER MOD Single : A 55 ASN : amide:sc= -0.788 K(o=-0.79,f=-0.077) USER MOD Single : A 63 GLN : amide:sc= -0.0025 K(o=-0.0025,f=-1.6!) USER MOD Single : A 67 TYR OH : rot 30:sc= 0.764 USER MOD Single : A 71 SER OG : rot -68:sc= -1.33 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0638 K(o=-0.064,f=-2.1!) USER MOD Single : A 82 GLN : amide:sc= -2.03! C(o=-2!,f=-5.7!) USER MOD Single : A 84 GLN : amide:sc= -9.77! C(o=-9.8!,f=-9.9!) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0723 (180deg=-0.589) USER MOD Single : A 88 ASN : amide:sc=-0.00461 K(o=-0.0046,f=-1.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= -3.24 (180deg=-7.71!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.3!) USER MOD Single : A 105 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-0.75) USER MOD Single : A 106 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.23) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 108 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=-0.041) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.895 16.856 -15.240 1.00 0.00 N ATOM 2 CA MET A 1 -11.933 15.382 -15.018 1.00 0.00 C ATOM 3 C MET A 1 -10.780 14.976 -14.097 1.00 0.00 C ATOM 4 O MET A 1 -10.820 15.199 -12.904 1.00 0.00 O ATOM 5 CB MET A 1 -11.789 14.663 -16.361 1.00 0.00 C ATOM 6 CG MET A 1 -13.023 14.932 -17.225 1.00 0.00 C ATOM 7 SD MET A 1 -12.882 14.033 -18.792 1.00 0.00 S ATOM 8 CE MET A 1 -11.786 15.193 -19.647 1.00 0.00 C ATOM 0 H1 MET A 1 -12.807 17.172 -15.628 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.717 17.339 -14.336 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.134 17.087 -15.911 1.00 0.00 H new ATOM 0 HA MET A 1 -12.881 15.107 -14.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.891 15.008 -16.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.672 13.591 -16.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.924 14.620 -16.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.119 16.001 -17.416 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.326 15.667 -20.466 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.446 15.956 -18.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.925 14.655 -20.043 1.00 0.00 H new ATOM 20 N GLU A 2 -9.755 14.384 -14.651 1.00 0.00 N ATOM 21 CA GLU A 2 -8.580 13.956 -13.836 1.00 0.00 C ATOM 22 C GLU A 2 -9.022 12.958 -12.752 1.00 0.00 C ATOM 23 O GLU A 2 -10.115 13.052 -12.231 1.00 0.00 O ATOM 24 CB GLU A 2 -7.945 15.184 -13.170 1.00 0.00 C ATOM 25 CG GLU A 2 -7.759 16.290 -14.212 1.00 0.00 C ATOM 26 CD GLU A 2 -6.928 15.752 -15.378 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.004 14.999 -15.120 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.232 16.099 -16.507 1.00 0.00 O ATOM 0 H GLU A 2 -9.681 14.176 -15.647 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.852 13.473 -14.489 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.578 15.538 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.983 14.917 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.729 16.635 -14.570 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.262 17.149 -13.762 1.00 0.00 H new ATOM 35 N PRO A 3 -8.178 12.007 -12.405 1.00 0.00 N ATOM 36 CA PRO A 3 -8.504 10.989 -11.359 1.00 0.00 C ATOM 37 C PRO A 3 -8.561 11.598 -9.949 1.00 0.00 C ATOM 38 O PRO A 3 -7.997 12.642 -9.687 1.00 0.00 O ATOM 39 CB PRO A 3 -7.360 9.968 -11.477 1.00 0.00 C ATOM 40 CG PRO A 3 -6.212 10.741 -12.038 1.00 0.00 C ATOM 41 CD PRO A 3 -6.827 11.790 -12.964 1.00 0.00 C ATOM 0 HA PRO A 3 -9.490 10.549 -11.510 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.111 9.540 -10.506 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.635 9.140 -12.130 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.633 11.212 -11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.531 10.088 -12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.244 12.711 -12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.873 11.437 -13.994 1.00 0.00 H new ATOM 49 N GLN A 4 -9.245 10.950 -9.044 1.00 0.00 N ATOM 50 CA GLN A 4 -9.348 11.483 -7.655 1.00 0.00 C ATOM 51 C GLN A 4 -8.006 11.318 -6.937 1.00 0.00 C ATOM 52 O GLN A 4 -7.497 10.219 -6.777 1.00 0.00 O ATOM 53 CB GLN A 4 -10.433 10.711 -6.904 1.00 0.00 C ATOM 54 CG GLN A 4 -11.798 11.049 -7.506 1.00 0.00 C ATOM 55 CD GLN A 4 -12.882 10.213 -6.824 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.610 9.485 -5.889 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.111 10.286 -7.257 1.00 0.00 N ATOM 0 H GLN A 4 -9.738 10.072 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.605 12.542 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.247 9.639 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.414 10.971 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.010 12.111 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.793 10.851 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.340 10.897 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.843 9.733 -6.811 1.00 0.00 H new ATOM 66 N LEU A 5 -7.422 12.407 -6.501 1.00 0.00 N ATOM 67 CA LEU A 5 -6.109 12.332 -5.798 1.00 0.00 C ATOM 68 C LEU A 5 -6.340 12.344 -4.287 1.00 0.00 C ATOM 69 O LEU A 5 -7.051 13.180 -3.765 1.00 0.00 O ATOM 70 CB LEU A 5 -5.271 13.554 -6.186 1.00 0.00 C ATOM 71 CG LEU A 5 -5.151 13.638 -7.711 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.357 14.893 -8.087 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.438 12.388 -8.253 1.00 0.00 C ATOM 0 H LEU A 5 -7.802 13.348 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.590 11.416 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.733 14.462 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.280 13.484 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.148 13.691 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.269 14.957 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.874 15.776 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.362 14.840 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.357 12.457 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.441 12.321 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.010 11.499 -7.987 1.00 0.00 H new ATOM 85 N THR A 6 -5.745 11.415 -3.584 1.00 0.00 N ATOM 86 CA THR A 6 -5.914 11.346 -2.098 1.00 0.00 C ATOM 87 C THR A 6 -4.540 11.409 -1.438 1.00 0.00 C ATOM 88 O THR A 6 -3.546 11.010 -2.011 1.00 0.00 O ATOM 89 CB THR A 6 -6.599 10.031 -1.727 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.870 9.967 -2.358 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.777 9.957 -0.210 1.00 0.00 C ATOM 0 H THR A 6 -5.143 10.693 -3.979 1.00 0.00 H new ATOM 0 HA THR A 6 -6.525 12.181 -1.755 1.00 0.00 H new ATOM 0 HB THR A 6 -5.985 9.194 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.375 9.207 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.266 9.019 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.801 10.007 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.391 10.793 0.125 1.00 0.00 H new ATOM 99 N LYS A 7 -4.470 11.925 -0.239 1.00 0.00 N ATOM 100 CA LYS A 7 -3.158 12.035 0.463 1.00 0.00 C ATOM 101 C LYS A 7 -3.002 10.892 1.467 1.00 0.00 C ATOM 102 O LYS A 7 -3.959 10.425 2.052 1.00 0.00 O ATOM 103 CB LYS A 7 -3.103 13.372 1.215 1.00 0.00 C ATOM 104 CG LYS A 7 -3.342 14.547 0.238 1.00 0.00 C ATOM 105 CD LYS A 7 -4.824 14.950 0.238 1.00 0.00 C ATOM 106 CE LYS A 7 -5.034 16.124 -0.718 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.472 16.511 -0.721 1.00 0.00 N ATOM 0 H LYS A 7 -5.270 12.277 0.287 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.353 11.981 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.857 13.386 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.133 13.485 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.727 15.399 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.037 14.260 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.441 14.105 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.136 15.227 1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.419 16.970 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.719 15.848 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.615 17.310 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.048 15.703 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.758 16.791 0.239 1.00 0.00 H new ATOM 121 N ILE A 8 -1.795 10.445 1.670 1.00 0.00 N ATOM 122 CA ILE A 8 -1.551 9.336 2.637 1.00 0.00 C ATOM 123 C ILE A 8 -2.049 9.754 4.027 1.00 0.00 C ATOM 124 O ILE A 8 -2.670 8.985 4.732 1.00 0.00 O ATOM 125 CB ILE A 8 -0.042 9.038 2.690 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.742 10.357 2.647 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.357 8.181 1.486 1.00 0.00 C ATOM 128 CD1 ILE A 8 2.225 10.100 2.927 1.00 0.00 C ATOM 0 H ILE A 8 -0.960 10.802 1.205 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.087 8.441 2.319 1.00 0.00 H new ATOM 0 HB ILE A 8 0.185 8.503 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.625 10.826 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.340 11.052 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.426 7.972 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.197 7.243 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.127 8.717 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.770 11.043 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.336 9.651 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.626 9.422 2.173 1.00 0.00 H new ATOM 140 N VAL A 9 -1.776 10.964 4.422 1.00 0.00 N ATOM 141 CA VAL A 9 -2.223 11.440 5.761 1.00 0.00 C ATOM 142 C VAL A 9 -3.751 11.551 5.780 1.00 0.00 C ATOM 143 O VAL A 9 -4.356 11.777 6.809 1.00 0.00 O ATOM 144 CB VAL A 9 -1.602 12.812 6.030 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.173 13.834 5.046 1.00 0.00 C ATOM 146 CG2 VAL A 9 -1.918 13.245 7.462 1.00 0.00 C ATOM 0 H VAL A 9 -1.259 11.650 3.872 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.907 10.736 6.531 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.521 12.752 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.730 14.811 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.942 13.525 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.254 13.895 5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.475 14.223 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.998 13.304 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.506 12.517 8.161 1.00 0.00 H new ATOM 156 N ASP A 10 -4.377 11.384 4.644 1.00 0.00 N ATOM 157 CA ASP A 10 -5.869 11.467 4.570 1.00 0.00 C ATOM 158 C ASP A 10 -6.453 10.053 4.534 1.00 0.00 C ATOM 159 O ASP A 10 -7.604 9.855 4.197 1.00 0.00 O ATOM 160 CB ASP A 10 -6.272 12.218 3.300 1.00 0.00 C ATOM 161 CG ASP A 10 -7.793 12.387 3.262 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.335 12.927 4.213 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.391 11.971 2.283 1.00 0.00 O ATOM 0 H ASP A 10 -3.915 11.192 3.755 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.251 11.997 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.787 13.194 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.935 11.671 2.420 1.00 0.00 H new ATOM 168 N ILE A 11 -5.669 9.064 4.874 1.00 0.00 N ATOM 169 CA ILE A 11 -6.180 7.662 4.857 1.00 0.00 C ATOM 170 C ILE A 11 -6.859 7.337 6.189 1.00 0.00 C ATOM 171 O ILE A 11 -6.225 7.303 7.224 1.00 0.00 O ATOM 172 CB ILE A 11 -5.003 6.705 4.650 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.406 6.930 3.260 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.483 5.256 4.775 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.079 6.177 3.143 1.00 0.00 C ATOM 0 H ILE A 11 -4.696 9.167 5.163 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.903 7.552 4.048 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.244 6.896 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.101 6.584 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.248 7.995 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.641 4.580 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.906 5.097 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.244 5.059 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.655 6.339 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.385 6.544 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.251 5.111 3.295 1.00 0.00 H new ATOM 187 N VAL A 12 -8.144 7.085 6.169 1.00 0.00 N ATOM 188 CA VAL A 12 -8.871 6.745 7.435 1.00 0.00 C ATOM 189 C VAL A 12 -9.889 5.634 7.157 1.00 0.00 C ATOM 190 O VAL A 12 -10.617 5.213 8.034 1.00 0.00 O ATOM 191 CB VAL A 12 -9.582 7.990 7.975 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.537 9.032 8.380 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.493 8.576 6.896 1.00 0.00 C ATOM 0 H VAL A 12 -8.724 7.100 5.330 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.158 6.396 8.182 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.184 7.715 8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.039 9.920 8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.890 8.617 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.937 9.302 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.996 9.461 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.896 8.851 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.237 7.834 6.606 1.00 0.00 H new ATOM 203 N GLU A 13 -9.936 5.149 5.939 1.00 0.00 N ATOM 204 CA GLU A 13 -10.893 4.050 5.585 1.00 0.00 C ATOM 205 C GLU A 13 -10.159 2.998 4.748 1.00 0.00 C ATOM 206 O GLU A 13 -9.466 3.315 3.801 1.00 0.00 O ATOM 207 CB GLU A 13 -12.064 4.626 4.782 1.00 0.00 C ATOM 208 CG GLU A 13 -13.069 3.513 4.470 1.00 0.00 C ATOM 209 CD GLU A 13 -14.277 4.103 3.738 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.193 5.247 3.323 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.266 3.401 3.606 1.00 0.00 O ATOM 0 H GLU A 13 -9.349 5.469 5.169 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.278 3.590 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.550 5.421 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.699 5.071 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.598 2.745 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.390 3.030 5.393 1.00 0.00 H new ATOM 218 N ASN A 14 -10.299 1.743 5.097 1.00 0.00 N ATOM 219 CA ASN A 14 -9.604 0.660 4.332 1.00 0.00 C ATOM 220 C ASN A 14 -10.549 0.060 3.286 1.00 0.00 C ATOM 221 O ASN A 14 -11.755 0.112 3.420 1.00 0.00 O ATOM 222 CB ASN A 14 -9.154 -0.435 5.303 1.00 0.00 C ATOM 223 CG ASN A 14 -10.357 -0.949 6.094 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.393 -1.242 5.529 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.263 -1.071 7.390 1.00 0.00 N ATOM 0 H ASN A 14 -10.866 1.420 5.881 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.737 1.082 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.691 -1.254 4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.399 -0.042 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.059 -1.412 7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.394 -0.825 7.864 1.00 0.00 H new ATOM 232 N GLY A 15 -10.006 -0.515 2.246 1.00 0.00 N ATOM 233 CA GLY A 15 -10.866 -1.125 1.191 1.00 0.00 C ATOM 234 C GLY A 15 -11.429 -0.024 0.289 1.00 0.00 C ATOM 235 O GLY A 15 -12.412 -0.212 -0.399 1.00 0.00 O ATOM 0 H GLY A 15 -9.002 -0.589 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.286 -1.833 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.681 -1.685 1.650 1.00 0.00 H new ATOM 239 N GLN A 16 -10.808 1.127 0.291 1.00 0.00 N ATOM 240 CA GLN A 16 -11.295 2.258 -0.559 1.00 0.00 C ATOM 241 C GLN A 16 -10.432 2.372 -1.819 1.00 0.00 C ATOM 242 O GLN A 16 -9.296 1.931 -1.854 1.00 0.00 O ATOM 243 CB GLN A 16 -11.205 3.562 0.237 1.00 0.00 C ATOM 244 CG GLN A 16 -9.772 3.769 0.726 1.00 0.00 C ATOM 245 CD GLN A 16 -9.696 5.069 1.528 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.707 5.677 1.816 1.00 0.00 O ATOM 247 NE2 GLN A 16 -8.533 5.524 1.903 1.00 0.00 N ATOM 0 H GLN A 16 -9.979 1.335 0.848 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.329 2.072 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.512 4.402 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.888 3.529 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.461 2.927 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.088 3.811 -0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.684 5.014 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.473 6.390 2.438 1.00 0.00 H new ATOM 256 N TRP A 17 -10.973 2.965 -2.857 1.00 0.00 N ATOM 257 CA TRP A 17 -10.213 3.132 -4.135 1.00 0.00 C ATOM 258 C TRP A 17 -9.789 4.597 -4.286 1.00 0.00 C ATOM 259 O TRP A 17 -10.573 5.504 -4.092 1.00 0.00 O ATOM 260 CB TRP A 17 -11.112 2.736 -5.307 1.00 0.00 C ATOM 261 CG TRP A 17 -11.356 1.263 -5.263 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.463 0.674 -4.758 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.494 0.186 -5.730 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.334 -0.699 -4.882 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.137 -1.048 -5.476 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.228 0.161 -6.342 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.545 -2.264 -5.818 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.629 -1.061 -6.688 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.287 -2.272 -6.426 1.00 0.00 C ATOM 0 H TRP A 17 -11.920 3.344 -2.872 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.326 2.498 -4.123 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.058 3.275 -5.254 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.641 3.011 -6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.309 1.190 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.037 -1.370 -4.573 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.713 1.088 -6.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.056 -3.193 -5.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.657 -1.069 -7.158 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.822 -3.209 -6.694 1.00 0.00 H new ATOM 280 N ALA A 18 -8.558 4.828 -4.648 1.00 0.00 N ATOM 281 CA ALA A 18 -8.088 6.234 -4.835 1.00 0.00 C ATOM 282 C ALA A 18 -6.816 6.247 -5.688 1.00 0.00 C ATOM 283 O ALA A 18 -6.353 5.218 -6.140 1.00 0.00 O ATOM 284 CB ALA A 18 -7.810 6.872 -3.472 1.00 0.00 C ATOM 0 H ALA A 18 -7.857 4.108 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.863 6.807 -5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.468 7.897 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.724 6.873 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.040 6.301 -2.953 1.00 0.00 H new ATOM 290 N ASN A 19 -6.237 7.409 -5.893 1.00 0.00 N ATOM 291 CA ASN A 19 -4.974 7.513 -6.693 1.00 0.00 C ATOM 292 C ASN A 19 -3.888 8.122 -5.803 1.00 0.00 C ATOM 293 O ASN A 19 -4.126 9.081 -5.095 1.00 0.00 O ATOM 294 CB ASN A 19 -5.212 8.417 -7.897 1.00 0.00 C ATOM 295 CG ASN A 19 -6.408 7.884 -8.682 1.00 0.00 C ATOM 296 OD1 ASN A 19 -7.541 8.146 -8.335 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.202 7.151 -9.739 1.00 0.00 N ATOM 0 H ASN A 19 -6.590 8.297 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.665 6.527 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.400 9.440 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.326 8.443 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.993 6.797 -10.276 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.249 6.932 -10.030 1.00 0.00 H new ATOM 304 N LEU A 20 -2.698 7.571 -5.815 1.00 0.00 N ATOM 305 CA LEU A 20 -1.602 8.117 -4.951 1.00 0.00 C ATOM 306 C LEU A 20 -0.293 8.184 -5.739 1.00 0.00 C ATOM 307 O LEU A 20 0.055 7.276 -6.468 1.00 0.00 O ATOM 308 CB LEU A 20 -1.424 7.198 -3.730 1.00 0.00 C ATOM 309 CG LEU A 20 -2.536 7.465 -2.693 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.770 6.205 -1.847 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.119 8.611 -1.760 1.00 0.00 C ATOM 0 H LEU A 20 -2.438 6.767 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.865 9.123 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.453 6.155 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.447 7.368 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.450 7.734 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.556 6.398 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.072 5.382 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.849 5.939 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.909 8.793 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.201 8.340 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.951 9.515 -2.346 1.00 0.00 H new ATOM 323 N LYS A 21 0.439 9.258 -5.578 1.00 0.00 N ATOM 324 CA LYS A 21 1.748 9.418 -6.285 1.00 0.00 C ATOM 325 C LYS A 21 2.855 9.514 -5.241 1.00 0.00 C ATOM 326 O LYS A 21 2.732 10.210 -4.256 1.00 0.00 O ATOM 327 CB LYS A 21 1.719 10.693 -7.131 1.00 0.00 C ATOM 328 CG LYS A 21 2.921 10.707 -8.080 1.00 0.00 C ATOM 329 CD LYS A 21 2.784 11.861 -9.079 1.00 0.00 C ATOM 330 CE LYS A 21 2.854 13.202 -8.346 1.00 0.00 C ATOM 331 NZ LYS A 21 3.165 14.279 -9.328 1.00 0.00 N ATOM 0 H LYS A 21 0.182 10.042 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 21 1.929 8.565 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.792 10.742 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.742 11.571 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.844 10.815 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.985 9.759 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.577 11.803 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.838 11.779 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.906 13.409 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.620 13.167 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.214 15.194 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.079 14.081 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.419 14.315 -10.052 1.00 0.00 H new ATOM 345 N ALA A 22 3.927 8.806 -5.437 1.00 0.00 N ATOM 346 CA ALA A 22 5.024 8.858 -4.432 1.00 0.00 C ATOM 347 C ALA A 22 6.339 8.339 -5.020 1.00 0.00 C ATOM 348 O ALA A 22 6.360 7.594 -5.980 1.00 0.00 O ATOM 349 CB ALA A 22 4.624 8.016 -3.218 1.00 0.00 C ATOM 0 H ALA A 22 4.093 8.199 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 22 5.180 9.895 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.421 8.047 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.708 8.416 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.458 6.985 -3.529 1.00 0.00 H new ATOM 355 N LYS A 23 7.433 8.741 -4.428 1.00 0.00 N ATOM 356 CA LYS A 23 8.778 8.294 -4.909 1.00 0.00 C ATOM 357 C LYS A 23 9.239 7.105 -4.074 1.00 0.00 C ATOM 358 O LYS A 23 8.708 6.836 -3.016 1.00 0.00 O ATOM 359 CB LYS A 23 9.787 9.438 -4.780 1.00 0.00 C ATOM 360 CG LYS A 23 10.989 9.183 -5.692 1.00 0.00 C ATOM 361 CD LYS A 23 11.907 10.404 -5.664 1.00 0.00 C ATOM 362 CE LYS A 23 13.165 10.114 -6.477 1.00 0.00 C ATOM 363 NZ LYS A 23 12.793 9.861 -7.899 1.00 0.00 N ATOM 0 H LYS A 23 7.454 9.367 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 23 8.709 8.002 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.313 10.383 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.118 9.527 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.531 8.297 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.653 8.988 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.389 11.271 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.174 10.648 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.853 10.957 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.684 9.248 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.477 9.204 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.841 9.444 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.801 10.758 -8.425 1.00 0.00 H new ATOM 377 N VAL A 24 10.215 6.378 -4.548 1.00 0.00 N ATOM 378 CA VAL A 24 10.704 5.188 -3.790 1.00 0.00 C ATOM 379 C VAL A 24 11.897 5.557 -2.901 1.00 0.00 C ATOM 380 O VAL A 24 13.026 5.604 -3.347 1.00 0.00 O ATOM 381 CB VAL A 24 11.127 4.118 -4.791 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.448 2.818 -4.052 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.986 3.871 -5.777 1.00 0.00 C ATOM 0 H VAL A 24 10.696 6.557 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 24 9.904 4.819 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 24 12.013 4.455 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.750 2.056 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.259 2.992 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.564 2.478 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.284 3.107 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.103 3.534 -5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.756 4.796 -6.306 1.00 0.00 H new ATOM 393 N ILE A 25 11.652 5.818 -1.643 1.00 0.00 N ATOM 394 CA ILE A 25 12.771 6.179 -0.724 1.00 0.00 C ATOM 395 C ILE A 25 13.502 4.917 -0.259 1.00 0.00 C ATOM 396 O ILE A 25 14.674 4.947 0.060 1.00 0.00 O ATOM 397 CB ILE A 25 12.208 6.919 0.487 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.129 6.068 1.160 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.597 8.246 0.035 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.698 6.747 2.456 1.00 0.00 C ATOM 0 H ILE A 25 10.727 5.797 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 25 13.477 6.819 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 25 13.013 7.108 1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.274 5.949 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.512 5.069 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.195 8.775 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.365 8.857 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.795 8.053 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.929 6.147 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.557 6.843 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.299 7.737 2.233 1.00 0.00 H new ATOM 412 N GLN A 26 12.816 3.807 -0.217 1.00 0.00 N ATOM 413 CA GLN A 26 13.460 2.535 0.228 1.00 0.00 C ATOM 414 C GLN A 26 12.833 1.361 -0.525 1.00 0.00 C ATOM 415 O GLN A 26 11.627 1.235 -0.594 1.00 0.00 O ATOM 416 CB GLN A 26 13.233 2.350 1.731 1.00 0.00 C ATOM 417 CG GLN A 26 13.876 1.039 2.187 1.00 0.00 C ATOM 418 CD GLN A 26 13.823 0.949 3.712 1.00 0.00 C ATOM 419 OE1 GLN A 26 13.664 1.947 4.386 1.00 0.00 O ATOM 420 NE2 GLN A 26 13.945 -0.214 4.289 1.00 0.00 N ATOM 0 H GLN A 26 11.832 3.725 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 26 14.529 2.575 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.662 3.188 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.165 2.339 1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.353 0.192 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.910 0.990 1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.079 -1.052 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.907 -0.285 5.306 1.00 0.00 H new ATOM 429 N LEU A 27 13.646 0.503 -1.092 1.00 0.00 N ATOM 430 CA LEU A 27 13.120 -0.673 -1.847 1.00 0.00 C ATOM 431 C LEU A 27 13.558 -1.958 -1.146 1.00 0.00 C ATOM 432 O LEU A 27 14.672 -2.069 -0.671 1.00 0.00 O ATOM 433 CB LEU A 27 13.689 -0.652 -3.268 1.00 0.00 C ATOM 434 CG LEU A 27 13.081 -1.794 -4.093 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.569 -1.574 -4.286 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.776 -1.857 -5.458 1.00 0.00 C ATOM 0 H LEU A 27 14.663 0.570 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 27 12.032 -0.630 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.472 0.305 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.774 -0.753 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 27 13.228 -2.734 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.154 -2.393 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.079 -1.541 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.402 -0.632 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.347 -2.667 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.634 -0.912 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.842 -2.037 -5.316 1.00 0.00 H new ATOM 448 N TRP A 28 12.697 -2.940 -1.089 1.00 0.00 N ATOM 449 CA TRP A 28 13.070 -4.228 -0.437 1.00 0.00 C ATOM 450 C TRP A 28 12.313 -5.373 -1.116 1.00 0.00 C ATOM 451 O TRP A 28 11.140 -5.267 -1.412 1.00 0.00 O ATOM 452 CB TRP A 28 12.708 -4.177 1.049 1.00 0.00 C ATOM 453 CG TRP A 28 13.360 -5.321 1.756 1.00 0.00 C ATOM 454 CD1 TRP A 28 14.679 -5.408 2.038 1.00 0.00 C ATOM 455 CD2 TRP A 28 12.748 -6.536 2.275 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.918 -6.601 2.695 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.758 -7.331 2.866 1.00 0.00 C ATOM 458 CE3 TRP A 28 11.428 -7.020 2.290 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.469 -8.564 3.450 1.00 0.00 C ATOM 460 CZ3 TRP A 28 11.133 -8.260 2.877 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.152 -9.030 3.456 1.00 0.00 C ATOM 0 H TRP A 28 11.750 -2.905 -1.467 1.00 0.00 H new ATOM 0 HA TRP A 28 14.143 -4.391 -0.536 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.036 -3.232 1.483 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.626 -4.227 1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 28 15.425 -4.667 1.791 1.00 0.00 H new ATOM 0 HE1 TRP A 28 15.838 -6.905 3.014 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.636 -6.434 1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.257 -9.154 3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 10.116 -8.623 2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.919 -9.983 3.907 1.00 0.00 H new ATOM 472 N GLU A 29 12.980 -6.468 -1.369 1.00 0.00 N ATOM 473 CA GLU A 29 12.307 -7.625 -2.033 1.00 0.00 C ATOM 474 C GLU A 29 11.679 -8.534 -0.974 1.00 0.00 C ATOM 475 O GLU A 29 12.235 -8.741 0.085 1.00 0.00 O ATOM 476 CB GLU A 29 13.337 -8.422 -2.835 1.00 0.00 C ATOM 477 CG GLU A 29 13.820 -7.582 -4.016 1.00 0.00 C ATOM 478 CD GLU A 29 14.904 -8.348 -4.775 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.193 -9.468 -4.386 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.428 -7.802 -5.731 1.00 0.00 O ATOM 0 H GLU A 29 13.964 -6.612 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 29 11.529 -7.254 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.179 -8.693 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.895 -9.352 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.986 -7.356 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.213 -6.629 -3.662 1.00 0.00 H new ATOM 487 N ASN A 30 10.522 -9.084 -1.254 1.00 0.00 N ATOM 488 CA ASN A 30 9.854 -9.990 -0.268 1.00 0.00 C ATOM 489 C ASN A 30 10.099 -11.444 -0.681 1.00 0.00 C ATOM 490 O ASN A 30 10.112 -11.768 -1.851 1.00 0.00 O ATOM 491 CB ASN A 30 8.343 -9.701 -0.257 1.00 0.00 C ATOM 492 CG ASN A 30 7.731 -10.151 1.075 1.00 0.00 C ATOM 493 OD1 ASN A 30 6.655 -9.719 1.439 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.375 -11.006 1.820 1.00 0.00 N ATOM 0 H ASN A 30 10.011 -8.944 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 30 10.261 -9.821 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.167 -8.636 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.859 -10.222 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.976 -11.312 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.278 -11.369 1.515 1.00 0.00 H new ATOM 501 N THR A 31 10.296 -12.321 0.274 1.00 0.00 N ATOM 502 CA THR A 31 10.543 -13.766 -0.044 1.00 0.00 C ATOM 503 C THR A 31 9.421 -14.610 0.565 1.00 0.00 C ATOM 504 O THR A 31 9.557 -15.802 0.758 1.00 0.00 O ATOM 505 CB THR A 31 11.891 -14.194 0.547 1.00 0.00 C ATOM 506 OG1 THR A 31 11.903 -15.604 0.721 1.00 0.00 O ATOM 507 CG2 THR A 31 12.096 -13.510 1.897 1.00 0.00 C ATOM 0 H THR A 31 10.296 -12.097 1.269 1.00 0.00 H new ATOM 0 HA THR A 31 10.563 -13.910 -1.124 1.00 0.00 H new ATOM 0 HB THR A 31 12.695 -13.905 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 31 11.128 -15.996 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 31 13.055 -13.814 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.086 -12.428 1.762 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.294 -13.798 2.576 1.00 0.00 H new ATOM 515 N HIS A 32 8.312 -13.997 0.866 1.00 0.00 N ATOM 516 CA HIS A 32 7.172 -14.752 1.462 1.00 0.00 C ATOM 517 C HIS A 32 6.494 -15.584 0.369 1.00 0.00 C ATOM 518 O HIS A 32 5.526 -16.273 0.615 1.00 0.00 O ATOM 519 CB HIS A 32 6.168 -13.760 2.065 1.00 0.00 C ATOM 520 CG HIS A 32 5.244 -14.477 3.015 1.00 0.00 C ATOM 521 ND1 HIS A 32 5.684 -15.486 3.859 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.904 -14.332 3.274 1.00 0.00 C ATOM 523 CE1 HIS A 32 4.626 -15.903 4.578 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.515 -15.233 4.261 1.00 0.00 N ATOM 0 H HIS A 32 8.143 -13.001 0.725 1.00 0.00 H new ATOM 0 HA HIS A 32 7.534 -15.416 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.699 -12.966 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.591 -13.286 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.250 -13.625 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.670 -16.685 5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.583 -15.355 4.657 1.00 0.00 H new ATOM 532 N GLU A 33 7.011 -15.512 -0.832 1.00 0.00 N ATOM 533 CA GLU A 33 6.439 -16.283 -1.984 1.00 0.00 C ATOM 534 C GLU A 33 5.039 -15.755 -2.326 1.00 0.00 C ATOM 535 O GLU A 33 4.655 -15.695 -3.476 1.00 0.00 O ATOM 536 CB GLU A 33 6.361 -17.774 -1.640 1.00 0.00 C ATOM 537 CG GLU A 33 6.059 -18.580 -2.906 1.00 0.00 C ATOM 538 CD GLU A 33 6.043 -20.070 -2.562 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.028 -20.385 -1.384 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.048 -20.872 -3.483 1.00 0.00 O ATOM 0 H GLU A 33 7.822 -14.940 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 33 7.091 -16.154 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.302 -18.106 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.585 -17.945 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.097 -18.280 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.812 -18.379 -3.668 1.00 0.00 H new ATOM 547 N SER A 34 4.273 -15.367 -1.344 1.00 0.00 N ATOM 548 CA SER A 34 2.906 -14.835 -1.624 1.00 0.00 C ATOM 549 C SER A 34 3.003 -13.333 -1.875 1.00 0.00 C ATOM 550 O SER A 34 2.037 -12.686 -2.225 1.00 0.00 O ATOM 551 CB SER A 34 2.006 -15.089 -0.416 1.00 0.00 C ATOM 552 OG SER A 34 2.478 -14.326 0.687 1.00 0.00 O ATOM 0 H SER A 34 4.533 -15.395 -0.358 1.00 0.00 H new ATOM 0 HA SER A 34 2.487 -15.332 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.977 -14.815 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.004 -16.150 -0.166 1.00 0.00 H new ATOM 0 HG SER A 34 1.903 -14.485 1.464 1.00 0.00 H new ATOM 558 N ILE A 35 4.172 -12.775 -1.686 1.00 0.00 N ATOM 559 CA ILE A 35 4.369 -11.305 -1.897 1.00 0.00 C ATOM 560 C ILE A 35 5.496 -11.068 -2.899 1.00 0.00 C ATOM 561 O ILE A 35 6.426 -11.841 -3.003 1.00 0.00 O ATOM 562 CB ILE A 35 4.726 -10.645 -0.568 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.561 -10.819 0.408 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.968 -9.156 -0.804 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.002 -10.408 1.813 1.00 0.00 C ATOM 0 H ILE A 35 5.008 -13.279 -1.391 1.00 0.00 H new ATOM 0 HA ILE A 35 3.447 -10.873 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 35 5.623 -11.105 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.713 -10.212 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.227 -11.857 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.224 -8.675 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.788 -9.028 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.065 -8.701 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.170 -10.533 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.836 -11.034 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.314 -9.364 1.805 1.00 0.00 H new ATOM 577 N SER A 36 5.415 -9.995 -3.638 1.00 0.00 N ATOM 578 CA SER A 36 6.474 -9.688 -4.643 1.00 0.00 C ATOM 579 C SER A 36 7.555 -8.818 -4.000 1.00 0.00 C ATOM 580 O SER A 36 8.728 -9.139 -4.033 1.00 0.00 O ATOM 581 CB SER A 36 5.846 -8.926 -5.809 1.00 0.00 C ATOM 582 OG SER A 36 4.661 -9.595 -6.219 1.00 0.00 O ATOM 0 H SER A 36 4.657 -9.314 -3.589 1.00 0.00 H new ATOM 0 HA SER A 36 6.920 -10.616 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.616 -7.904 -5.509 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.549 -8.864 -6.640 1.00 0.00 H new ATOM 0 HG SER A 36 4.253 -9.109 -6.966 1.00 0.00 H new ATOM 588 N GLN A 37 7.176 -7.716 -3.417 1.00 0.00 N ATOM 589 CA GLN A 37 8.192 -6.833 -2.783 1.00 0.00 C ATOM 590 C GLN A 37 7.520 -5.889 -1.785 1.00 0.00 C ATOM 591 O GLN A 37 6.313 -5.762 -1.741 1.00 0.00 O ATOM 592 CB GLN A 37 8.891 -6.014 -3.868 1.00 0.00 C ATOM 593 CG GLN A 37 7.842 -5.297 -4.717 1.00 0.00 C ATOM 594 CD GLN A 37 8.540 -4.432 -5.767 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.011 -3.353 -5.466 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.625 -4.862 -6.996 1.00 0.00 N ATOM 0 H GLN A 37 6.212 -7.390 -3.352 1.00 0.00 H new ATOM 0 HA GLN A 37 8.921 -7.446 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.565 -5.288 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.500 -6.665 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.193 -6.025 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.207 -4.677 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.229 -5.768 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.087 -4.292 -7.705 1.00 0.00 H new ATOM 605 N VAL A 38 8.309 -5.217 -0.992 1.00 0.00 N ATOM 606 CA VAL A 38 7.751 -4.258 0.006 1.00 0.00 C ATOM 607 C VAL A 38 8.722 -3.097 0.183 1.00 0.00 C ATOM 608 O VAL A 38 9.907 -3.223 -0.074 1.00 0.00 O ATOM 609 CB VAL A 38 7.552 -4.962 1.348 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.023 -3.959 2.375 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.536 -6.091 1.176 1.00 0.00 C ATOM 0 H VAL A 38 9.326 -5.292 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 38 6.790 -3.886 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 38 8.502 -5.370 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.881 -4.460 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.740 -3.147 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.071 -3.555 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.390 -6.597 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.587 -5.677 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.906 -6.804 0.440 1.00 0.00 H new ATOM 621 N GLY A 39 8.243 -1.966 0.619 1.00 0.00 N ATOM 622 CA GLY A 39 9.172 -0.817 0.805 1.00 0.00 C ATOM 623 C GLY A 39 8.419 0.403 1.327 1.00 0.00 C ATOM 624 O GLY A 39 7.304 0.306 1.804 1.00 0.00 O ATOM 0 H GLY A 39 7.266 -1.788 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.962 -1.090 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.655 -0.576 -0.142 1.00 0.00 H new ATOM 628 N LEU A 40 9.029 1.559 1.227 1.00 0.00 N ATOM 629 CA LEU A 40 8.376 2.815 1.707 1.00 0.00 C ATOM 630 C LEU A 40 8.446 3.872 0.615 1.00 0.00 C ATOM 631 O LEU A 40 9.379 3.917 -0.162 1.00 0.00 O ATOM 632 CB LEU A 40 9.099 3.336 2.957 1.00 0.00 C ATOM 633 CG LEU A 40 9.062 2.271 4.083 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.332 1.410 4.038 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.981 2.960 5.451 1.00 0.00 C ATOM 0 H LEU A 40 9.960 1.686 0.830 1.00 0.00 H new ATOM 0 HA LEU A 40 7.335 2.603 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.133 3.580 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.627 4.256 3.302 1.00 0.00 H new ATOM 0 HG LEU A 40 8.186 1.640 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.295 0.665 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.397 0.907 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.207 2.045 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.955 2.206 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.854 3.599 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.076 3.566 5.500 1.00 0.00 H new ATOM 647 N LEU A 41 7.454 4.720 0.546 1.00 0.00 N ATOM 648 CA LEU A 41 7.441 5.783 -0.495 1.00 0.00 C ATOM 649 C LEU A 41 7.002 7.102 0.121 1.00 0.00 C ATOM 650 O LEU A 41 6.161 7.147 0.998 1.00 0.00 O ATOM 651 CB LEU A 41 6.484 5.374 -1.620 1.00 0.00 C ATOM 652 CG LEU A 41 6.987 4.065 -2.274 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.308 2.847 -1.636 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.695 4.092 -3.776 1.00 0.00 C ATOM 0 H LEU A 41 6.648 4.720 1.171 1.00 0.00 H new ATOM 0 HA LEU A 41 8.443 5.909 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.479 5.232 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.423 6.166 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 41 8.062 3.987 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.675 1.936 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.537 2.820 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.229 2.918 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.051 3.168 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.621 4.186 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.205 4.941 -4.231 1.00 0.00 H new ATOM 666 N GLY A 42 7.564 8.181 -0.347 1.00 0.00 N ATOM 667 CA GLY A 42 7.190 9.527 0.181 1.00 0.00 C ATOM 668 C GLY A 42 6.264 10.195 -0.825 1.00 0.00 C ATOM 669 O GLY A 42 6.512 10.156 -2.012 1.00 0.00 O ATOM 0 H GLY A 42 8.273 8.190 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.695 9.432 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.081 10.134 0.338 1.00 0.00 H new ATOM 673 N ASP A 43 5.192 10.796 -0.368 1.00 0.00 N ATOM 674 CA ASP A 43 4.241 11.459 -1.312 1.00 0.00 C ATOM 675 C ASP A 43 4.212 12.961 -1.078 1.00 0.00 C ATOM 676 O ASP A 43 3.428 13.634 -1.705 1.00 0.00 O ATOM 677 CB ASP A 43 2.832 10.899 -1.104 1.00 0.00 C ATOM 678 CG ASP A 43 1.856 11.531 -2.107 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.317 12.153 -3.047 1.00 0.00 O ATOM 680 OD2 ASP A 43 0.661 11.383 -1.913 1.00 0.00 O ATOM 0 H ASP A 43 4.935 10.856 0.617 1.00 0.00 H new ATOM 0 HA ASP A 43 4.577 11.262 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.841 9.816 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.499 11.101 -0.086 1.00 0.00 H new ATOM 685 N GLU A 44 5.041 13.502 -0.189 1.00 0.00 N ATOM 686 CA GLU A 44 5.067 14.981 0.095 1.00 0.00 C ATOM 687 C GLU A 44 4.294 15.240 1.389 1.00 0.00 C ATOM 688 O GLU A 44 4.648 16.095 2.178 1.00 0.00 O ATOM 689 CB GLU A 44 4.461 15.812 -1.038 1.00 0.00 C ATOM 690 CG GLU A 44 4.863 17.270 -0.880 1.00 0.00 C ATOM 691 CD GLU A 44 4.280 18.065 -2.049 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.435 17.521 -2.747 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.687 19.199 -2.236 1.00 0.00 O ATOM 0 H GLU A 44 5.711 12.962 0.358 1.00 0.00 H new ATOM 0 HA GLU A 44 6.109 15.287 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.802 15.434 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.375 15.722 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.494 17.664 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.949 17.364 -0.863 1.00 0.00 H new ATOM 700 N THR A 45 3.238 14.509 1.623 1.00 0.00 N ATOM 701 CA THR A 45 2.443 14.715 2.873 1.00 0.00 C ATOM 702 C THR A 45 2.937 13.753 3.960 1.00 0.00 C ATOM 703 O THR A 45 2.480 13.789 5.086 1.00 0.00 O ATOM 704 CB THR A 45 0.967 14.445 2.580 1.00 0.00 C ATOM 705 OG1 THR A 45 0.788 13.064 2.307 1.00 0.00 O ATOM 706 CG2 THR A 45 0.537 15.268 1.366 1.00 0.00 C ATOM 0 H THR A 45 2.889 13.777 1.004 1.00 0.00 H new ATOM 0 HA THR A 45 2.565 15.741 3.220 1.00 0.00 H new ATOM 0 HB THR A 45 0.362 14.725 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.053 12.933 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.515 15.079 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.680 16.328 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.139 14.985 0.503 1.00 0.00 H new ATOM 714 N GLY A 46 3.870 12.894 3.638 1.00 0.00 N ATOM 715 CA GLY A 46 4.390 11.938 4.663 1.00 0.00 C ATOM 716 C GLY A 46 4.968 10.698 3.977 1.00 0.00 C ATOM 717 O GLY A 46 5.449 10.760 2.864 1.00 0.00 O ATOM 0 H GLY A 46 4.293 12.813 2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.158 12.421 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.588 11.648 5.341 1.00 0.00 H new ATOM 721 N ILE A 47 4.914 9.568 4.641 1.00 0.00 N ATOM 722 CA ILE A 47 5.447 8.299 4.050 1.00 0.00 C ATOM 723 C ILE A 47 4.435 7.172 4.248 1.00 0.00 C ATOM 724 O ILE A 47 3.564 7.248 5.093 1.00 0.00 O ATOM 725 CB ILE A 47 6.766 7.933 4.734 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.555 7.813 6.249 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.806 9.013 4.446 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.838 7.293 6.899 1.00 0.00 C ATOM 0 H ILE A 47 4.519 9.470 5.576 1.00 0.00 H new ATOM 0 HA ILE A 47 5.619 8.442 2.983 1.00 0.00 H new ATOM 0 HB ILE A 47 7.117 6.976 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.289 8.783 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.727 7.136 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.746 8.752 4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.964 9.088 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.452 9.970 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.691 7.207 7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.084 6.314 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.654 7.987 6.699 1.00 0.00 H new ATOM 740 N ILE A 48 4.542 6.118 3.482 1.00 0.00 N ATOM 741 CA ILE A 48 3.586 4.985 3.638 1.00 0.00 C ATOM 742 C ILE A 48 4.217 3.703 3.086 1.00 0.00 C ATOM 743 O ILE A 48 4.891 3.716 2.075 1.00 0.00 O ATOM 744 CB ILE A 48 2.295 5.301 2.877 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.242 4.224 3.174 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.576 5.334 1.371 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.816 4.269 4.649 1.00 0.00 C ATOM 0 H ILE A 48 5.249 5.994 2.757 1.00 0.00 H new ATOM 0 HA ILE A 48 3.355 4.843 4.694 1.00 0.00 H new ATOM 0 HB ILE A 48 1.921 6.273 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.372 4.374 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.646 3.240 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.655 5.559 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.318 6.103 1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.955 4.364 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.069 3.497 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.685 4.095 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.391 5.247 4.875 1.00 0.00 H new ATOM 759 N LYS A 49 3.998 2.593 3.743 1.00 0.00 N ATOM 760 CA LYS A 49 4.573 1.311 3.264 1.00 0.00 C ATOM 761 C LYS A 49 3.591 0.639 2.310 1.00 0.00 C ATOM 762 O LYS A 49 2.407 0.528 2.589 1.00 0.00 O ATOM 763 CB LYS A 49 4.807 0.398 4.462 1.00 0.00 C ATOM 764 CG LYS A 49 5.524 -0.875 4.015 1.00 0.00 C ATOM 765 CD LYS A 49 5.428 -1.918 5.124 1.00 0.00 C ATOM 766 CE LYS A 49 6.161 -1.435 6.378 1.00 0.00 C ATOM 767 NZ LYS A 49 7.469 -0.828 6.000 1.00 0.00 N ATOM 0 H LYS A 49 3.442 2.524 4.595 1.00 0.00 H new ATOM 0 HA LYS A 49 5.514 1.500 2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.402 0.916 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.855 0.145 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.074 -1.258 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.569 -0.659 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.382 -2.112 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.858 -2.860 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.550 -0.704 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.321 -2.270 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.115 -0.859 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.883 -1.361 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.323 0.161 5.712 1.00 0.00 H new ATOM 781 N PHE A 50 4.068 0.191 1.175 1.00 0.00 N ATOM 782 CA PHE A 50 3.170 -0.476 0.183 1.00 0.00 C ATOM 783 C PHE A 50 3.735 -1.862 -0.157 1.00 0.00 C ATOM 784 O PHE A 50 4.925 -2.119 -0.042 1.00 0.00 O ATOM 785 CB PHE A 50 3.083 0.391 -1.100 1.00 0.00 C ATOM 786 CG PHE A 50 4.185 0.037 -2.086 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.501 -0.138 -1.643 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.879 -0.135 -3.443 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.509 -0.480 -2.551 1.00 0.00 C ATOM 790 CE2 PHE A 50 4.887 -0.481 -4.351 1.00 0.00 C ATOM 791 CZ PHE A 50 6.203 -0.654 -3.904 1.00 0.00 C ATOM 0 H PHE A 50 5.046 0.259 0.892 1.00 0.00 H new ATOM 0 HA PHE A 50 2.171 -0.588 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.111 0.248 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.156 1.445 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.739 -0.009 -0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.865 -0.000 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.524 -0.610 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.650 -0.614 -5.396 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.981 -0.922 -4.604 1.00 0.00 H new ATOM 801 N THR A 51 2.871 -2.755 -0.566 1.00 0.00 N ATOM 802 CA THR A 51 3.303 -4.138 -0.927 1.00 0.00 C ATOM 803 C THR A 51 2.684 -4.524 -2.274 1.00 0.00 C ATOM 804 O THR A 51 1.510 -4.321 -2.511 1.00 0.00 O ATOM 805 CB THR A 51 2.842 -5.116 0.157 1.00 0.00 C ATOM 806 OG1 THR A 51 3.526 -4.831 1.370 1.00 0.00 O ATOM 807 CG2 THR A 51 3.146 -6.550 -0.278 1.00 0.00 C ATOM 0 H THR A 51 1.871 -2.582 -0.666 1.00 0.00 H new ATOM 0 HA THR A 51 4.390 -4.177 -1.004 1.00 0.00 H new ATOM 0 HB THR A 51 1.768 -5.008 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.231 -5.455 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.816 -7.243 0.496 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.620 -6.768 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.219 -6.663 -0.433 1.00 0.00 H new ATOM 815 N ILE A 52 3.473 -5.073 -3.164 1.00 0.00 N ATOM 816 CA ILE A 52 2.948 -5.468 -4.509 1.00 0.00 C ATOM 817 C ILE A 52 2.685 -6.971 -4.540 1.00 0.00 C ATOM 818 O ILE A 52 3.564 -7.772 -4.293 1.00 0.00 O ATOM 819 CB ILE A 52 3.986 -5.118 -5.576 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.309 -3.623 -5.491 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.433 -5.443 -6.968 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.411 -3.266 -6.497 1.00 0.00 C ATOM 0 H ILE A 52 4.464 -5.266 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 52 2.018 -4.934 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 52 4.891 -5.702 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.413 -3.037 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.631 -3.369 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.178 -5.191 -7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.200 -6.506 -7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.527 -4.863 -7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.634 -2.201 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.310 -3.840 -6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.073 -3.503 -7.506 1.00 0.00 H new ATOM 834 N TRP A 53 1.473 -7.362 -4.829 1.00 0.00 N ATOM 835 CA TRP A 53 1.145 -8.815 -4.861 1.00 0.00 C ATOM 836 C TRP A 53 1.595 -9.439 -6.187 1.00 0.00 C ATOM 837 O TRP A 53 1.615 -8.795 -7.217 1.00 0.00 O ATOM 838 CB TRP A 53 -0.365 -8.987 -4.702 1.00 0.00 C ATOM 839 CG TRP A 53 -0.757 -8.595 -3.315 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.291 -7.404 -2.963 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.650 -9.374 -2.089 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.518 -7.401 -1.598 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.139 -8.595 -1.015 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.181 -10.668 -1.810 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.160 -9.084 0.292 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.201 -11.164 -0.496 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.689 -10.373 0.552 1.00 0.00 C ATOM 0 H TRP A 53 0.696 -6.737 -5.044 1.00 0.00 H new ATOM 0 HA TRP A 53 1.668 -9.317 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.893 -8.371 -5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.648 -10.022 -4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.505 -6.588 -3.637 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.916 -6.614 -1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.198 -11.286 -2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.538 -8.470 1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.162 -12.161 -0.293 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.701 -10.760 1.560 1.00 0.00 H new ATOM 858 N LYS A 54 1.949 -10.698 -6.162 1.00 0.00 N ATOM 859 CA LYS A 54 2.387 -11.385 -7.411 1.00 0.00 C ATOM 860 C LYS A 54 1.224 -11.447 -8.400 1.00 0.00 C ATOM 861 O LYS A 54 1.407 -11.371 -9.599 1.00 0.00 O ATOM 862 CB LYS A 54 2.847 -12.808 -7.089 1.00 0.00 C ATOM 863 CG LYS A 54 4.170 -12.765 -6.325 1.00 0.00 C ATOM 864 CD LYS A 54 4.630 -14.193 -6.030 1.00 0.00 C ATOM 865 CE LYS A 54 5.921 -14.159 -5.210 1.00 0.00 C ATOM 866 NZ LYS A 54 6.949 -13.360 -5.934 1.00 0.00 N ATOM 0 H LYS A 54 1.953 -11.281 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 54 3.213 -10.826 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.090 -13.319 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.967 -13.378 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.925 -12.241 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.048 -12.210 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.855 -14.730 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.794 -14.733 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.730 -13.723 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.285 -15.173 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.867 -13.462 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.028 -13.702 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.670 -12.358 -5.938 1.00 0.00 H new ATOM 880 N ASN A 55 0.028 -11.599 -7.905 1.00 0.00 N ATOM 881 CA ASN A 55 -1.152 -11.687 -8.808 1.00 0.00 C ATOM 882 C ASN A 55 -1.261 -10.410 -9.645 1.00 0.00 C ATOM 883 O ASN A 55 -1.877 -10.395 -10.692 1.00 0.00 O ATOM 884 CB ASN A 55 -2.417 -11.850 -7.965 1.00 0.00 C ATOM 885 CG ASN A 55 -2.237 -13.022 -6.998 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.768 -13.012 -5.906 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.500 -14.038 -7.355 1.00 0.00 N ATOM 0 H ASN A 55 -0.184 -11.666 -6.909 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.037 -12.543 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.618 -10.934 -7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.277 -12.026 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.370 -14.823 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.054 -14.047 -8.272 1.00 0.00 H new ATOM 894 N ALA A 56 -0.657 -9.343 -9.204 1.00 0.00 N ATOM 895 CA ALA A 56 -0.722 -8.080 -9.990 1.00 0.00 C ATOM 896 C ALA A 56 0.192 -8.214 -11.215 1.00 0.00 C ATOM 897 O ALA A 56 0.090 -7.463 -12.165 1.00 0.00 O ATOM 898 CB ALA A 56 -0.259 -6.910 -9.111 1.00 0.00 C ATOM 0 H ALA A 56 -0.123 -9.290 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.744 -7.892 -10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.306 -5.984 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.909 -6.830 -8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.766 -7.084 -8.785 1.00 0.00 H new ATOM 904 N GLU A 57 1.082 -9.170 -11.191 1.00 0.00 N ATOM 905 CA GLU A 57 2.012 -9.373 -12.343 1.00 0.00 C ATOM 906 C GLU A 57 2.560 -8.025 -12.816 1.00 0.00 C ATOM 907 O GLU A 57 2.596 -7.740 -13.995 1.00 0.00 O ATOM 908 CB GLU A 57 1.262 -10.054 -13.489 1.00 0.00 C ATOM 909 CG GLU A 57 0.910 -11.483 -13.077 1.00 0.00 C ATOM 910 CD GLU A 57 0.085 -12.152 -14.177 1.00 0.00 C ATOM 911 OE1 GLU A 57 -0.168 -11.503 -15.179 1.00 0.00 O ATOM 912 OE2 GLU A 57 -0.279 -13.302 -14.000 1.00 0.00 O ATOM 0 H GLU A 57 1.206 -9.824 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 57 2.843 -10.003 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.356 -9.498 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.878 -10.063 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.821 -12.053 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.348 -11.474 -12.143 1.00 0.00 H new ATOM 919 N LEU A 58 2.979 -7.188 -11.899 1.00 0.00 N ATOM 920 CA LEU A 58 3.518 -5.846 -12.287 1.00 0.00 C ATOM 921 C LEU A 58 5.058 -5.887 -12.276 1.00 0.00 C ATOM 922 O LEU A 58 5.654 -6.636 -11.525 1.00 0.00 O ATOM 923 CB LEU A 58 3.025 -4.796 -11.280 1.00 0.00 C ATOM 924 CG LEU A 58 1.559 -4.417 -11.579 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.934 -3.769 -10.337 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.484 -3.421 -12.750 1.00 0.00 C ATOM 0 H LEU A 58 2.971 -7.376 -10.897 1.00 0.00 H new ATOM 0 HA LEU A 58 3.172 -5.586 -13.287 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.107 -5.187 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.655 -3.908 -11.331 1.00 0.00 H new ATOM 0 HG LEU A 58 1.016 -5.324 -11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.101 -3.501 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.964 -4.473 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.494 -2.872 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.442 -3.166 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.037 -2.517 -12.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.920 -3.873 -13.641 1.00 0.00 H new ATOM 938 N PRO A 59 5.703 -5.084 -13.096 1.00 0.00 N ATOM 939 CA PRO A 59 7.195 -5.035 -13.167 1.00 0.00 C ATOM 940 C PRO A 59 7.821 -4.453 -11.889 1.00 0.00 C ATOM 941 O PRO A 59 7.167 -3.796 -11.105 1.00 0.00 O ATOM 942 CB PRO A 59 7.480 -4.144 -14.391 1.00 0.00 C ATOM 943 CG PRO A 59 6.256 -3.300 -14.556 1.00 0.00 C ATOM 944 CD PRO A 59 5.082 -4.141 -14.046 1.00 0.00 C ATOM 0 HA PRO A 59 7.632 -6.029 -13.258 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.365 -3.528 -14.232 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.666 -4.745 -15.281 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.344 -2.372 -13.991 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.112 -3.024 -15.601 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.329 -3.521 -13.559 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.584 -4.666 -14.861 1.00 0.00 H new ATOM 952 N LEU A 60 9.084 -4.711 -11.672 1.00 0.00 N ATOM 953 CA LEU A 60 9.761 -4.200 -10.446 1.00 0.00 C ATOM 954 C LEU A 60 9.921 -2.680 -10.528 1.00 0.00 C ATOM 955 O LEU A 60 10.311 -2.137 -11.542 1.00 0.00 O ATOM 956 CB LEU A 60 11.139 -4.860 -10.336 1.00 0.00 C ATOM 957 CG LEU A 60 10.983 -6.384 -10.379 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.367 -7.037 -10.316 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.126 -6.863 -9.195 1.00 0.00 C ATOM 0 H LEU A 60 9.678 -5.257 -12.296 1.00 0.00 H new ATOM 0 HA LEU A 60 9.161 -4.440 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.779 -4.527 -11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.624 -4.560 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 60 10.487 -6.668 -11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.259 -8.121 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.964 -6.708 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.864 -6.748 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.022 -7.947 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.608 -6.580 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.140 -6.402 -9.249 1.00 0.00 H new ATOM 971 N LEU A 61 9.615 -1.996 -9.460 1.00 0.00 N ATOM 972 CA LEU A 61 9.735 -0.511 -9.452 1.00 0.00 C ATOM 973 C LEU A 61 11.204 -0.117 -9.280 1.00 0.00 C ATOM 974 O LEU A 61 11.962 -0.789 -8.611 1.00 0.00 O ATOM 975 CB LEU A 61 8.906 0.051 -8.294 1.00 0.00 C ATOM 976 CG LEU A 61 7.423 0.050 -8.676 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.952 -1.391 -8.909 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.608 0.683 -7.545 1.00 0.00 C ATOM 0 H LEU A 61 9.285 -2.406 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 61 9.367 -0.105 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.061 -0.549 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.231 1.065 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 61 7.282 0.625 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.896 -1.389 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.534 -1.838 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.091 -1.971 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.552 0.684 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.749 0.109 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.942 1.708 -7.385 1.00 0.00 H new ATOM 990 N GLU A 62 11.614 0.965 -9.887 1.00 0.00 N ATOM 991 CA GLU A 62 13.037 1.395 -9.768 1.00 0.00 C ATOM 992 C GLU A 62 13.212 2.252 -8.508 1.00 0.00 C ATOM 993 O GLU A 62 12.452 3.164 -8.250 1.00 0.00 O ATOM 994 CB GLU A 62 13.417 2.211 -11.005 1.00 0.00 C ATOM 995 CG GLU A 62 14.921 2.491 -11.001 1.00 0.00 C ATOM 996 CD GLU A 62 15.678 1.188 -11.262 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.032 0.205 -11.589 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.891 1.194 -11.136 1.00 0.00 O ATOM 0 H GLU A 62 11.025 1.569 -10.460 1.00 0.00 H new ATOM 0 HA GLU A 62 13.682 0.519 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.142 1.667 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.863 3.150 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.167 3.228 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.221 2.914 -10.042 1.00 0.00 H new ATOM 1005 N GLN A 63 14.201 1.946 -7.714 1.00 0.00 N ATOM 1006 CA GLN A 63 14.426 2.718 -6.459 1.00 0.00 C ATOM 1007 C GLN A 63 14.994 4.107 -6.771 1.00 0.00 C ATOM 1008 O GLN A 63 15.896 4.255 -7.571 1.00 0.00 O ATOM 1009 CB GLN A 63 15.409 1.963 -5.568 1.00 0.00 C ATOM 1010 CG GLN A 63 15.604 2.736 -4.264 1.00 0.00 C ATOM 1011 CD GLN A 63 16.427 1.894 -3.291 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.820 0.788 -3.607 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.707 2.373 -2.112 1.00 0.00 N ATOM 0 H GLN A 63 14.866 1.191 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 63 13.470 2.836 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.032 0.962 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.364 1.844 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.110 3.681 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.637 2.978 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.377 3.301 -1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.256 1.820 -1.454 1.00 0.00 H new ATOM 1022 N GLY A 64 14.484 5.129 -6.127 1.00 0.00 N ATOM 1023 CA GLY A 64 15.003 6.509 -6.367 1.00 0.00 C ATOM 1024 C GLY A 64 14.246 7.168 -7.521 1.00 0.00 C ATOM 1025 O GLY A 64 14.593 8.251 -7.954 1.00 0.00 O ATOM 0 H GLY A 64 13.729 5.065 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.894 7.108 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.068 6.469 -6.597 1.00 0.00 H new ATOM 1029 N GLU A 65 13.236 6.516 -8.042 1.00 0.00 N ATOM 1030 CA GLU A 65 12.460 7.092 -9.191 1.00 0.00 C ATOM 1031 C GLU A 65 11.023 7.424 -8.769 1.00 0.00 C ATOM 1032 O GLU A 65 10.492 6.885 -7.813 1.00 0.00 O ATOM 1033 CB GLU A 65 12.436 6.076 -10.333 1.00 0.00 C ATOM 1034 CG GLU A 65 13.837 5.946 -10.940 1.00 0.00 C ATOM 1035 CD GLU A 65 14.232 7.260 -11.622 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.341 8.021 -11.959 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.420 7.478 -11.799 1.00 0.00 O ATOM 0 H GLU A 65 12.912 5.604 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 65 12.943 8.014 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.098 5.108 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.726 6.391 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.559 5.698 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.856 5.131 -11.663 1.00 0.00 H new ATOM 1044 N SER A 66 10.400 8.319 -9.496 1.00 0.00 N ATOM 1045 CA SER A 66 8.996 8.720 -9.187 1.00 0.00 C ATOM 1046 C SER A 66 8.025 7.753 -9.864 1.00 0.00 C ATOM 1047 O SER A 66 8.244 7.312 -10.978 1.00 0.00 O ATOM 1048 CB SER A 66 8.751 10.141 -9.698 1.00 0.00 C ATOM 1049 OG SER A 66 9.362 11.066 -8.807 1.00 0.00 O ATOM 0 H SER A 66 10.812 8.793 -10.300 1.00 0.00 H new ATOM 0 HA SER A 66 8.837 8.690 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.162 10.256 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.681 10.337 -9.768 1.00 0.00 H new ATOM 0 HG SER A 66 9.344 11.962 -9.203 1.00 0.00 H new ATOM 1055 N TYR A 67 6.945 7.420 -9.200 1.00 0.00 N ATOM 1056 CA TYR A 67 5.948 6.483 -9.799 1.00 0.00 C ATOM 1057 C TYR A 67 4.531 6.970 -9.494 1.00 0.00 C ATOM 1058 O TYR A 67 4.248 7.503 -8.439 1.00 0.00 O ATOM 1059 CB TYR A 67 6.142 5.071 -9.215 1.00 0.00 C ATOM 1060 CG TYR A 67 7.261 4.360 -9.946 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.049 3.879 -11.244 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.504 4.177 -9.329 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.078 3.217 -11.924 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.534 3.516 -10.009 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.320 3.036 -11.306 1.00 0.00 C ATOM 1066 OH TYR A 67 10.335 2.383 -11.976 1.00 0.00 O ATOM 0 H TYR A 67 6.712 7.759 -8.267 1.00 0.00 H new ATOM 0 HA TYR A 67 6.095 6.451 -10.879 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.374 5.136 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.217 4.501 -9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.090 4.019 -11.721 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.669 4.546 -8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.913 2.846 -12.925 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.493 3.377 -9.533 1.00 0.00 H new ATOM 0 HH TYR A 67 10.239 2.532 -12.940 1.00 0.00 H new ATOM 1076 N LEU A 68 3.643 6.761 -10.428 1.00 0.00 N ATOM 1077 CA LEU A 68 2.216 7.165 -10.252 1.00 0.00 C ATOM 1078 C LEU A 68 1.374 5.904 -10.146 1.00 0.00 C ATOM 1079 O LEU A 68 1.464 5.027 -10.974 1.00 0.00 O ATOM 1080 CB LEU A 68 1.766 8.001 -11.453 1.00 0.00 C ATOM 1081 CG LEU A 68 0.264 8.293 -11.375 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.073 8.977 -10.044 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.128 9.216 -12.536 1.00 0.00 C ATOM 0 H LEU A 68 3.850 6.319 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 68 2.099 7.765 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.323 8.938 -11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.991 7.469 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.288 7.356 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.143 9.180 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.207 8.323 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.477 9.915 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.196 9.428 -12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.431 10.149 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.102 8.727 -13.483 1.00 0.00 H new ATOM 1095 N LEU A 69 0.557 5.806 -9.129 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.300 4.594 -8.950 1.00 0.00 C ATOM 1097 C LEU A 69 -1.769 4.988 -9.072 1.00 0.00 C ATOM 1098 O LEU A 69 -2.284 5.755 -8.283 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.036 3.994 -7.563 1.00 0.00 C ATOM 1100 CG LEU A 69 1.490 3.811 -7.337 1.00 0.00 C ATOM 1101 CD1 LEU A 69 2.075 5.022 -6.596 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.745 2.555 -6.497 1.00 0.00 C ATOM 0 H LEU A 69 0.446 6.519 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.063 3.856 -9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.449 4.645 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.542 3.033 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 69 1.969 3.715 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.145 4.875 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.911 5.924 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.585 5.128 -5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.817 2.432 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.248 2.656 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.352 1.682 -7.019 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.444 4.471 -10.069 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.890 4.810 -10.273 1.00 0.00 C ATOM 1116 C ARG A 70 -4.774 3.609 -9.929 1.00 0.00 C ATOM 1117 O ARG A 70 -4.434 2.471 -10.195 1.00 0.00 O ATOM 1118 CB ARG A 70 -4.117 5.201 -11.733 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.387 6.512 -12.021 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.527 6.860 -13.503 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.964 7.089 -13.817 1.00 0.00 N ATOM 1122 CZ ARG A 70 -5.343 7.286 -15.048 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.463 7.280 -16.011 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.604 7.484 -15.316 1.00 0.00 N ATOM 0 H ARG A 70 -2.054 3.825 -10.755 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.152 5.641 -9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.752 4.415 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.183 5.313 -11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.801 7.313 -11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.334 6.420 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.945 7.751 -13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.132 6.051 -14.118 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.654 7.092 -13.066 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.478 7.121 -15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.760 7.434 -16.974 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.292 7.484 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.903 7.638 -16.279 1.00 0.00 H new ATOM 1138 N SER A 71 -5.916 3.870 -9.346 1.00 0.00 N ATOM 1139 CA SER A 71 -6.856 2.773 -8.981 1.00 0.00 C ATOM 1140 C SER A 71 -6.199 1.805 -7.995 1.00 0.00 C ATOM 1141 O SER A 71 -6.111 0.617 -8.238 1.00 0.00 O ATOM 1142 CB SER A 71 -7.278 2.026 -10.250 1.00 0.00 C ATOM 1143 OG SER A 71 -6.332 1.009 -10.539 1.00 0.00 O ATOM 0 H SER A 71 -6.239 4.807 -9.106 1.00 0.00 H new ATOM 0 HA SER A 71 -7.735 3.203 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.267 1.589 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.348 2.721 -11.087 1.00 0.00 H new ATOM 0 HG SER A 71 -5.483 1.419 -10.808 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.752 2.302 -6.867 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.116 1.411 -5.847 1.00 0.00 C ATOM 1151 C VAL A 72 -6.141 1.104 -4.754 1.00 0.00 C ATOM 1152 O VAL A 72 -7.101 1.833 -4.568 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.889 2.105 -5.231 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.024 2.705 -6.342 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.331 3.221 -4.278 1.00 0.00 C ATOM 0 H VAL A 72 -5.800 3.288 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.790 0.485 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.314 1.366 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.156 3.196 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.692 1.913 -7.013 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.608 3.435 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.452 3.703 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.917 3.958 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.938 2.797 -3.478 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.947 0.027 -4.037 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.902 -0.358 -2.951 1.00 0.00 C ATOM 1167 C VAL A 73 -6.157 -0.391 -1.613 1.00 0.00 C ATOM 1168 O VAL A 73 -5.065 -0.918 -1.502 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.490 -1.739 -3.261 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.391 -2.800 -3.194 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.584 -2.066 -2.243 1.00 0.00 C ATOM 0 H VAL A 73 -5.159 -0.610 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.712 0.369 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.916 -1.732 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.816 -3.779 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.616 -2.568 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.956 -2.811 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.003 -3.048 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.158 -2.069 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.371 -1.314 -2.301 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.745 0.184 -0.597 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.091 0.210 0.747 1.00 0.00 C ATOM 1183 C VAL A 74 -6.488 -1.040 1.537 1.00 0.00 C ATOM 1184 O VAL A 74 -7.637 -1.434 1.549 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.546 1.463 1.495 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.946 1.468 2.902 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.072 2.703 0.731 1.00 0.00 C ATOM 0 H VAL A 74 -7.656 0.640 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.007 0.225 0.631 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.633 1.470 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.272 2.362 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.280 0.583 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.858 1.463 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.393 3.601 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.984 2.693 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.501 2.699 -0.271 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.547 -1.679 2.193 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.866 -2.911 2.988 1.00 0.00 C ATOM 1199 C GLY A 75 -5.771 -2.598 4.485 1.00 0.00 C ATOM 1200 O GLY A 75 -4.962 -1.797 4.914 1.00 0.00 O ATOM 0 H GLY A 75 -4.566 -1.399 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.868 -3.264 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.173 -3.712 2.729 1.00 0.00 H new ATOM 1204 N GLU A 76 -6.590 -3.225 5.287 1.00 0.00 N ATOM 1205 CA GLU A 76 -6.544 -2.967 6.756 1.00 0.00 C ATOM 1206 C GLU A 76 -5.442 -3.824 7.381 1.00 0.00 C ATOM 1207 O GLU A 76 -5.600 -5.014 7.567 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.891 -3.349 7.371 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.893 -3.013 8.863 1.00 0.00 C ATOM 1210 CD GLU A 76 -9.261 -3.354 9.457 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -10.030 -4.016 8.778 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -9.518 -2.951 10.579 1.00 0.00 O ATOM 0 H GLU A 76 -7.289 -3.905 4.988 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.339 -1.913 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.696 -2.814 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.078 -4.413 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.111 -3.575 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.674 -1.955 9.009 1.00 0.00 H new ATOM 1219 N TYR A 77 -4.321 -3.231 7.700 1.00 0.00 N ATOM 1220 CA TYR A 77 -3.197 -4.011 8.304 1.00 0.00 C ATOM 1221 C TYR A 77 -3.215 -3.843 9.826 1.00 0.00 C ATOM 1222 O TYR A 77 -2.706 -2.880 10.364 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.875 -3.490 7.739 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.725 -4.320 8.265 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.607 -5.664 7.891 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.229 -3.744 9.115 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.463 -6.432 8.369 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.297 -4.512 9.591 1.00 0.00 C ATOM 1229 CZ TYR A 77 1.414 -5.857 9.219 1.00 0.00 C ATOM 1230 OH TYR A 77 2.467 -6.615 9.690 1.00 0.00 O ATOM 0 H TYR A 77 -4.134 -2.237 7.568 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.307 -5.069 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.895 -3.530 6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.738 -2.445 8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.340 -6.109 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.140 -2.707 9.403 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.554 -7.469 8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.032 -4.067 10.246 1.00 0.00 H new ATOM 0 HH TYR A 77 3.035 -6.063 10.267 1.00 0.00 H new ATOM 1240 N ASN A 78 -3.799 -4.784 10.519 1.00 0.00 N ATOM 1241 CA ASN A 78 -3.865 -4.709 12.009 1.00 0.00 C ATOM 1242 C ASN A 78 -4.308 -3.312 12.461 1.00 0.00 C ATOM 1243 O ASN A 78 -5.396 -2.866 12.154 1.00 0.00 O ATOM 1244 CB ASN A 78 -2.491 -5.029 12.600 1.00 0.00 C ATOM 1245 CG ASN A 78 -2.204 -6.520 12.436 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -3.102 -7.303 12.204 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.979 -6.948 12.552 1.00 0.00 N ATOM 0 H ASN A 78 -4.238 -5.610 10.113 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.595 -5.437 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.721 -4.442 12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.464 -4.756 13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.774 -7.942 12.448 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.225 -6.289 12.747 1.00 0.00 H new ATOM 1254 N ASP A 79 -3.483 -2.625 13.209 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.866 -1.267 13.703 1.00 0.00 C ATOM 1256 C ASP A 79 -3.403 -0.189 12.721 1.00 0.00 C ATOM 1257 O ASP A 79 -3.781 0.962 12.833 1.00 0.00 O ATOM 1258 CB ASP A 79 -3.200 -1.027 15.058 1.00 0.00 C ATOM 1259 CG ASP A 79 -3.834 -1.940 16.110 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.893 -2.481 15.837 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -3.249 -2.081 17.172 1.00 0.00 O ATOM 0 H ASP A 79 -2.559 -2.946 13.500 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.951 -1.216 13.797 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.130 -1.223 14.989 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.314 0.017 15.351 1.00 0.00 H new ATOM 1266 N ARG A 80 -2.583 -0.546 11.765 1.00 0.00 N ATOM 1267 CA ARG A 80 -2.076 0.457 10.774 1.00 0.00 C ATOM 1268 C ARG A 80 -2.668 0.177 9.393 1.00 0.00 C ATOM 1269 O ARG A 80 -3.144 -0.906 9.109 1.00 0.00 O ATOM 1270 CB ARG A 80 -0.550 0.370 10.698 1.00 0.00 C ATOM 1271 CG ARG A 80 0.049 0.827 12.029 1.00 0.00 C ATOM 1272 CD ARG A 80 1.574 0.747 11.960 1.00 0.00 C ATOM 1273 NE ARG A 80 1.992 -0.680 11.889 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.255 -0.985 11.804 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.152 -0.038 11.766 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.621 -2.235 11.752 1.00 0.00 N ATOM 0 H ARG A 80 -2.239 -1.496 11.626 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.374 1.455 11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.243 -0.653 10.480 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.179 0.994 9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.262 1.849 12.248 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.322 0.200 12.840 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.938 1.288 11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.014 1.223 12.836 1.00 0.00 H new ATOM 0 HE ARG A 80 1.289 -1.419 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.863 0.940 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.142 -0.275 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.918 -2.974 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.610 -2.474 11.685 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.634 1.156 8.527 1.00 0.00 N ATOM 1291 CA PHE A 81 -3.180 0.981 7.151 1.00 0.00 C ATOM 1292 C PHE A 81 -2.020 0.702 6.195 1.00 0.00 C ATOM 1293 O PHE A 81 -0.894 1.085 6.445 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.892 2.267 6.728 1.00 0.00 C ATOM 1295 CG PHE A 81 -5.121 2.458 7.581 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -6.322 1.836 7.224 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -5.059 3.254 8.732 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -7.463 2.009 8.017 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -6.200 3.427 9.525 1.00 0.00 C ATOM 1300 CZ PHE A 81 -7.401 2.804 9.167 1.00 0.00 C ATOM 0 H PHE A 81 -2.246 2.080 8.718 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.886 0.151 7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.223 3.120 6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.170 2.213 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.369 1.222 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.132 3.734 9.008 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.390 1.529 7.741 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.153 4.041 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.281 2.937 9.779 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.278 0.027 5.107 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.189 -0.290 4.131 1.00 0.00 C ATOM 1312 C GLN A 82 -1.729 -0.137 2.712 1.00 0.00 C ATOM 1313 O GLN A 82 -2.913 -0.278 2.476 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.728 -1.734 4.340 1.00 0.00 C ATOM 1315 CG GLN A 82 0.072 -1.836 5.637 1.00 0.00 C ATOM 1316 CD GLN A 82 1.415 -1.133 5.457 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.141 -1.418 4.525 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.775 -0.218 6.312 1.00 0.00 N ATOM 0 H GLN A 82 -3.201 -0.322 4.849 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.350 0.389 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.591 -2.399 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.116 -2.056 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.483 -1.380 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.228 -2.882 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.163 0.019 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.668 0.261 6.200 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.874 0.144 1.758 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.349 0.301 0.344 1.00 0.00 C ATOM 1329 C VAL A 83 -0.974 -0.963 -0.441 1.00 0.00 C ATOM 1330 O VAL A 83 0.190 -1.252 -0.645 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.669 1.527 -0.293 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.502 2.043 -1.470 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.519 2.640 0.747 1.00 0.00 C ATOM 0 H VAL A 83 0.129 0.271 1.895 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.429 0.444 0.325 1.00 0.00 H new ATOM 0 HB VAL A 83 0.316 1.230 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.010 2.910 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.597 1.258 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.493 2.329 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.037 3.504 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.503 2.927 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.090 2.283 1.577 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.950 -1.722 -0.874 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.653 -2.976 -1.638 1.00 0.00 C ATOM 1345 C GLN A 84 -1.902 -2.733 -3.124 1.00 0.00 C ATOM 1346 O GLN A 84 -2.900 -2.159 -3.509 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.575 -4.097 -1.153 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.119 -4.579 0.224 1.00 0.00 C ATOM 1349 CD GLN A 84 -2.341 -3.469 1.254 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.560 -3.310 2.169 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.378 -2.682 1.137 1.00 0.00 N ATOM 0 H GLN A 84 -2.941 -1.528 -0.732 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.613 -3.261 -1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.603 -3.739 -1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.561 -4.925 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.675 -5.472 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.065 -4.856 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.035 -2.815 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.530 -1.935 1.815 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.000 -3.171 -3.964 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.173 -2.976 -5.435 1.00 0.00 C ATOM 1362 C VAL A 85 -1.627 -4.298 -6.059 1.00 0.00 C ATOM 1363 O VAL A 85 -1.037 -5.340 -5.823 1.00 0.00 O ATOM 1364 CB VAL A 85 0.162 -2.550 -6.044 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.027 -2.235 -7.527 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.682 -1.307 -5.316 1.00 0.00 C ATOM 0 H VAL A 85 -0.146 -3.658 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.919 -2.205 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 85 0.883 -3.360 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.927 -1.931 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.393 -3.122 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.749 -1.426 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.634 -1.003 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.039 -0.496 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.822 -1.536 -4.259 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.682 -4.263 -6.840 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.209 -5.513 -7.479 1.00 0.00 C ATOM 1378 C ASN A 86 -3.211 -5.363 -9.001 1.00 0.00 C ATOM 1379 O ASN A 86 -2.728 -4.392 -9.547 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.640 -5.762 -6.995 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.475 -4.495 -7.180 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.257 -3.738 -8.104 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.430 -4.229 -6.332 1.00 0.00 N ATOM 0 H ASN A 86 -3.204 -3.416 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.571 -6.352 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.084 -6.586 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.633 -6.054 -5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.993 -3.386 -6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.614 -4.864 -5.555 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.751 -6.334 -9.683 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.792 -6.287 -11.172 1.00 0.00 C ATOM 1392 C LYS A 87 -4.610 -5.077 -11.639 1.00 0.00 C ATOM 1393 O LYS A 87 -4.245 -4.395 -12.577 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.447 -7.569 -11.684 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.392 -7.606 -13.210 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.981 -8.929 -13.701 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.899 -8.991 -15.226 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.692 -7.875 -15.811 1.00 0.00 N ATOM 0 H LYS A 87 -4.170 -7.167 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.778 -6.199 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.936 -8.439 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.482 -7.618 -11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.951 -6.768 -13.627 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.362 -7.503 -13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.437 -9.766 -13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.018 -9.019 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.860 -8.921 -15.548 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.280 -9.948 -15.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.923 -8.095 -16.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.571 -7.753 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.136 -6.997 -15.772 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.713 -4.808 -10.998 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.555 -3.647 -11.416 1.00 0.00 C ATOM 1414 C ASN A 88 -5.792 -2.340 -11.175 1.00 0.00 C ATOM 1415 O ASN A 88 -6.266 -1.266 -11.488 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.841 -3.634 -10.591 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.729 -4.807 -11.002 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.561 -5.371 -12.065 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.674 -5.202 -10.196 1.00 0.00 N ATOM 0 H ASN A 88 -6.069 -5.340 -10.204 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.793 -3.738 -12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.604 -3.700 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.371 -2.694 -10.742 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.273 -5.985 -10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.814 -4.728 -9.304 1.00 0.00 H new ATOM 1426 N SER A 89 -4.612 -2.426 -10.624 1.00 0.00 N ATOM 1427 CA SER A 89 -3.809 -1.195 -10.362 1.00 0.00 C ATOM 1428 C SER A 89 -2.934 -0.882 -11.579 1.00 0.00 C ATOM 1429 O SER A 89 -2.687 -1.732 -12.413 1.00 0.00 O ATOM 1430 CB SER A 89 -2.920 -1.419 -9.140 1.00 0.00 C ATOM 1431 OG SER A 89 -3.700 -1.966 -8.085 1.00 0.00 O ATOM 0 H SER A 89 -4.167 -3.299 -10.342 1.00 0.00 H new ATOM 0 HA SER A 89 -4.481 -0.357 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.102 -2.094 -9.390 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.471 -0.477 -8.825 1.00 0.00 H new ATOM 0 HG SER A 89 -4.274 -2.678 -8.438 1.00 0.00 H new ATOM 1437 N SER A 90 -2.458 0.335 -11.685 1.00 0.00 N ATOM 1438 CA SER A 90 -1.586 0.723 -12.840 1.00 0.00 C ATOM 1439 C SER A 90 -0.370 1.478 -12.298 1.00 0.00 C ATOM 1440 O SER A 90 -0.443 2.120 -11.265 1.00 0.00 O ATOM 1441 CB SER A 90 -2.367 1.633 -13.786 1.00 0.00 C ATOM 1442 OG SER A 90 -1.580 1.900 -14.941 1.00 0.00 O ATOM 0 H SER A 90 -2.638 1.083 -11.015 1.00 0.00 H new ATOM 0 HA SER A 90 -1.266 -0.167 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.305 1.158 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.623 2.566 -13.283 1.00 0.00 H new ATOM 0 HG SER A 90 -2.080 2.482 -15.550 1.00 0.00 H new ATOM 1448 N ILE A 91 0.754 1.424 -12.983 1.00 0.00 N ATOM 1449 CA ILE A 91 1.971 2.154 -12.507 1.00 0.00 C ATOM 1450 C ILE A 91 2.628 2.859 -13.695 1.00 0.00 C ATOM 1451 O ILE A 91 2.890 2.248 -14.714 1.00 0.00 O ATOM 1452 CB ILE A 91 2.966 1.160 -11.908 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.353 0.516 -10.662 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.261 1.891 -11.533 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.242 -0.635 -10.191 1.00 0.00 C ATOM 0 H ILE A 91 0.877 0.904 -13.852 1.00 0.00 H new ATOM 0 HA ILE A 91 1.683 2.883 -11.750 1.00 0.00 H new ATOM 0 HB ILE A 91 3.193 0.385 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.250 1.258 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.352 0.148 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.969 1.181 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.694 2.344 -12.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.041 2.668 -10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.805 -1.093 -9.304 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.322 -1.380 -10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.234 -0.253 -9.951 1.00 0.00 H new ATOM 1467 N GLU A 92 2.900 4.138 -13.583 1.00 0.00 N ATOM 1468 CA GLU A 92 3.545 4.881 -14.716 1.00 0.00 C ATOM 1469 C GLU A 92 4.757 5.650 -14.186 1.00 0.00 C ATOM 1470 O GLU A 92 4.699 6.273 -13.145 1.00 0.00 O ATOM 1471 CB GLU A 92 2.541 5.873 -15.308 1.00 0.00 C ATOM 1472 CG GLU A 92 1.191 5.181 -15.492 1.00 0.00 C ATOM 1473 CD GLU A 92 0.203 6.150 -16.143 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.603 7.267 -16.429 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.933 5.759 -16.346 1.00 0.00 O ATOM 0 H GLU A 92 2.703 4.701 -12.755 1.00 0.00 H new ATOM 0 HA GLU A 92 3.861 4.176 -15.485 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.433 6.735 -14.649 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.904 6.247 -16.265 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.308 4.293 -16.113 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.807 4.848 -14.528 1.00 0.00 H new ATOM 1482 N LYS A 93 5.854 5.609 -14.889 1.00 0.00 N ATOM 1483 CA LYS A 93 7.069 6.336 -14.422 1.00 0.00 C ATOM 1484 C LYS A 93 6.936 7.819 -14.769 1.00 0.00 C ATOM 1485 O LYS A 93 6.635 8.174 -15.891 1.00 0.00 O ATOM 1486 CB LYS A 93 8.298 5.753 -15.121 1.00 0.00 C ATOM 1487 CG LYS A 93 9.565 6.454 -14.626 1.00 0.00 C ATOM 1488 CD LYS A 93 10.777 5.845 -15.331 1.00 0.00 C ATOM 1489 CE LYS A 93 12.050 6.546 -14.860 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.271 6.255 -13.417 1.00 0.00 N ATOM 0 H LYS A 93 5.963 5.103 -15.768 1.00 0.00 H new ATOM 0 HA LYS A 93 7.175 6.226 -13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.365 4.683 -14.925 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.204 5.874 -16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.508 7.523 -14.830 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.661 6.340 -13.546 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.837 4.778 -15.117 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.672 5.948 -16.411 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.904 6.205 -15.446 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.965 7.621 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.241 7.142 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.527 5.615 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.200 5.804 -13.292 1.00 0.00 H new ATOM 1504 N LEU A 94 7.155 8.689 -13.815 1.00 0.00 N ATOM 1505 CA LEU A 94 7.040 10.158 -14.086 1.00 0.00 C ATOM 1506 C LEU A 94 8.431 10.780 -14.190 1.00 0.00 C ATOM 1507 O LEU A 94 9.310 10.527 -13.389 1.00 0.00 O ATOM 1508 CB LEU A 94 6.245 10.825 -12.948 1.00 0.00 C ATOM 1509 CG LEU A 94 4.729 10.724 -13.218 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.311 11.666 -14.367 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.367 9.277 -13.576 1.00 0.00 C ATOM 0 H LEU A 94 7.409 8.446 -12.857 1.00 0.00 H new ATOM 0 HA LEU A 94 6.518 10.313 -15.030 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.484 10.345 -11.999 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.536 11.872 -12.858 1.00 0.00 H new ATOM 0 HG LEU A 94 4.195 11.024 -12.317 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.238 11.577 -14.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.552 12.695 -14.100 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.848 11.392 -15.275 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.296 9.206 -13.767 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.915 8.975 -14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.632 8.620 -12.748 1.00 0.00 H new ATOM 1523 N SER A 95 8.623 11.600 -15.182 1.00 0.00 N ATOM 1524 CA SER A 95 9.937 12.267 -15.374 1.00 0.00 C ATOM 1525 C SER A 95 10.023 13.485 -14.458 1.00 0.00 C ATOM 1526 O SER A 95 11.028 14.166 -14.410 1.00 0.00 O ATOM 1527 CB SER A 95 10.073 12.720 -16.829 1.00 0.00 C ATOM 1528 OG SER A 95 9.635 11.678 -17.690 1.00 0.00 O ATOM 0 H SER A 95 7.916 11.839 -15.877 1.00 0.00 H new ATOM 0 HA SER A 95 10.738 11.568 -15.134 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.481 13.620 -16.998 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.110 12.975 -17.047 1.00 0.00 H new ATOM 0 HG SER A 95 9.720 11.967 -18.623 1.00 0.00 H new ATOM 1534 N GLU A 96 8.974 13.784 -13.735 1.00 0.00 N ATOM 1535 CA GLU A 96 9.010 14.976 -12.838 1.00 0.00 C ATOM 1536 C GLU A 96 9.489 14.551 -11.433 1.00 0.00 C ATOM 1537 O GLU A 96 8.888 13.688 -10.822 1.00 0.00 O ATOM 1538 CB GLU A 96 7.599 15.560 -12.725 1.00 0.00 C ATOM 1539 CG GLU A 96 7.663 16.864 -11.932 1.00 0.00 C ATOM 1540 CD GLU A 96 6.314 17.582 -12.009 1.00 0.00 C ATOM 1541 OE1 GLU A 96 6.007 18.115 -13.063 1.00 0.00 O ATOM 1542 OE2 GLU A 96 5.611 17.586 -11.012 1.00 0.00 O ATOM 0 H GLU A 96 8.100 13.258 -13.727 1.00 0.00 H new ATOM 0 HA GLU A 96 9.692 15.720 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.186 15.743 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.936 14.850 -12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.916 16.656 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.450 17.505 -12.330 1.00 0.00 H new ATOM 1549 N PRO A 97 10.554 15.138 -10.909 1.00 0.00 N ATOM 1550 CA PRO A 97 11.067 14.771 -9.554 1.00 0.00 C ATOM 1551 C PRO A 97 10.210 15.363 -8.422 1.00 0.00 C ATOM 1552 O PRO A 97 9.734 16.477 -8.508 1.00 0.00 O ATOM 1553 CB PRO A 97 12.487 15.354 -9.541 1.00 0.00 C ATOM 1554 CG PRO A 97 12.428 16.537 -10.455 1.00 0.00 C ATOM 1555 CD PRO A 97 11.382 16.200 -11.528 1.00 0.00 C ATOM 0 HA PRO A 97 11.041 13.695 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.784 15.648 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.217 14.623 -9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.148 17.437 -9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.401 16.728 -10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.782 17.072 -11.787 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.853 15.853 -12.448 1.00 0.00 H new ATOM 1563 N ILE A 98 10.013 14.613 -7.361 1.00 0.00 N ATOM 1564 CA ILE A 98 9.182 15.102 -6.208 1.00 0.00 C ATOM 1565 C ILE A 98 10.087 15.317 -4.991 1.00 0.00 C ATOM 1566 O ILE A 98 11.003 14.560 -4.746 1.00 0.00 O ATOM 1567 CB ILE A 98 8.100 14.064 -5.884 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.228 13.866 -7.124 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.223 14.568 -4.731 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.310 12.657 -6.930 1.00 0.00 C ATOM 0 H ILE A 98 10.395 13.675 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 98 8.702 16.045 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 98 8.569 13.124 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.632 14.760 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.857 13.718 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.457 13.826 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.841 14.731 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.747 15.506 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.692 12.523 -7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.914 11.764 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.669 12.822 -6.064 1.00 0.00 H new ATOM 1582 N GLU A 99 9.845 16.349 -4.229 1.00 0.00 N ATOM 1583 CA GLU A 99 10.698 16.612 -3.031 1.00 0.00 C ATOM 1584 C GLU A 99 10.846 15.318 -2.223 1.00 0.00 C ATOM 1585 O GLU A 99 11.811 14.595 -2.380 1.00 0.00 O ATOM 1586 CB GLU A 99 10.043 17.704 -2.155 1.00 0.00 C ATOM 1587 CG GLU A 99 8.516 17.676 -2.333 1.00 0.00 C ATOM 1588 CD GLU A 99 8.116 18.439 -3.601 1.00 0.00 C ATOM 1589 OE1 GLU A 99 8.755 19.436 -3.898 1.00 0.00 O ATOM 1590 OE2 GLU A 99 7.181 18.008 -4.255 1.00 0.00 O ATOM 0 H GLU A 99 9.094 17.022 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 99 11.682 16.956 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.298 17.543 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.432 18.684 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.169 16.645 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.033 18.122 -1.464 1.00 0.00 H new ATOM 1597 N VAL A 100 9.891 15.026 -1.361 1.00 0.00 N ATOM 1598 CA VAL A 100 9.947 13.784 -0.520 1.00 0.00 C ATOM 1599 C VAL A 100 11.400 13.443 -0.172 1.00 0.00 C ATOM 1600 O VAL A 100 11.800 12.295 -0.154 1.00 0.00 O ATOM 1601 CB VAL A 100 9.288 12.623 -1.275 1.00 0.00 C ATOM 1602 CG1 VAL A 100 7.782 12.895 -1.404 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.899 12.480 -2.670 1.00 0.00 C ATOM 0 H VAL A 100 9.066 15.605 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 100 9.405 13.955 0.410 1.00 0.00 H new ATOM 0 HB VAL A 100 9.455 11.699 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.308 12.073 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.342 12.982 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.626 13.824 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.421 11.652 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.744 13.402 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.968 12.284 -2.581 1.00 0.00 H new ATOM 1613 N GLY A 101 12.188 14.453 0.089 1.00 0.00 N ATOM 1614 CA GLY A 101 13.621 14.228 0.420 1.00 0.00 C ATOM 1615 C GLY A 101 14.400 14.058 -0.886 1.00 0.00 C ATOM 1616 O GLY A 101 14.724 12.956 -1.279 1.00 0.00 O ATOM 0 H GLY A 101 11.895 15.430 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.015 15.070 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.731 13.342 1.045 1.00 0.00 H new ATOM 1620 N LEU A 102 14.694 15.142 -1.571 1.00 0.00 N ATOM 1621 CA LEU A 102 15.444 15.045 -2.865 1.00 0.00 C ATOM 1622 C LEU A 102 16.872 15.549 -2.657 1.00 0.00 C ATOM 1623 O LEU A 102 17.106 16.724 -2.456 1.00 0.00 O ATOM 1624 CB LEU A 102 14.747 15.909 -3.929 1.00 0.00 C ATOM 1625 CG LEU A 102 15.177 15.462 -5.337 1.00 0.00 C ATOM 1626 CD1 LEU A 102 14.378 16.251 -6.376 1.00 0.00 C ATOM 1627 CD2 LEU A 102 16.682 15.710 -5.542 1.00 0.00 C ATOM 0 H LEU A 102 14.446 16.090 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 102 15.465 14.008 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.665 15.824 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.000 16.959 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 102 14.983 14.395 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.677 15.940 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.314 16.059 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.574 17.316 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.971 15.389 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.895 16.773 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 102 17.248 15.144 -4.802 1.00 0.00 H new ATOM 1639 N GLU A 103 17.823 14.662 -2.719 1.00 0.00 N ATOM 1640 CA GLU A 103 19.253 15.051 -2.541 1.00 0.00 C ATOM 1641 C GLU A 103 19.397 16.087 -1.420 1.00 0.00 C ATOM 1642 O GLU A 103 19.545 15.746 -0.262 1.00 0.00 O ATOM 1643 CB GLU A 103 19.791 15.631 -3.853 1.00 0.00 C ATOM 1644 CG GLU A 103 21.271 15.989 -3.692 1.00 0.00 C ATOM 1645 CD GLU A 103 21.825 16.484 -5.029 1.00 0.00 C ATOM 1646 OE1 GLU A 103 21.183 17.322 -5.640 1.00 0.00 O ATOM 1647 OE2 GLU A 103 22.883 16.018 -5.418 1.00 0.00 O ATOM 0 H GLU A 103 17.670 13.668 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 103 19.826 14.165 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.668 14.908 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.221 16.518 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.389 16.759 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.832 15.118 -3.354 1.00 0.00 H new ATOM 1654 N HIS A 104 19.369 17.350 -1.753 1.00 0.00 N ATOM 1655 CA HIS A 104 19.519 18.399 -0.707 1.00 0.00 C ATOM 1656 C HIS A 104 20.745 18.072 0.152 1.00 0.00 C ATOM 1657 O HIS A 104 20.950 18.637 1.209 1.00 0.00 O ATOM 1658 CB HIS A 104 18.262 18.439 0.168 1.00 0.00 C ATOM 1659 CG HIS A 104 18.241 19.717 0.959 1.00 0.00 C ATOM 1660 ND1 HIS A 104 18.823 19.823 2.212 1.00 0.00 N ATOM 1661 CD2 HIS A 104 17.718 20.955 0.683 1.00 0.00 C ATOM 1662 CE1 HIS A 104 18.638 21.085 2.640 1.00 0.00 C ATOM 1663 NE2 HIS A 104 17.969 21.818 1.745 1.00 0.00 N ATOM 0 H HIS A 104 19.249 17.699 -2.704 1.00 0.00 H new ATOM 0 HA HIS A 104 19.651 19.374 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.370 18.370 -0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 104 18.248 17.582 0.841 1.00 0.00 H new ATOM 0 HD1 HIS A 104 19.304 19.079 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.191 21.220 -0.222 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.987 21.460 3.591 1.00 0.00 H new ATOM 1671 N HIS A 105 21.563 17.162 -0.301 1.00 0.00 N ATOM 1672 CA HIS A 105 22.780 16.790 0.471 1.00 0.00 C ATOM 1673 C HIS A 105 23.663 18.026 0.645 1.00 0.00 C ATOM 1674 O HIS A 105 24.228 18.255 1.696 1.00 0.00 O ATOM 1675 CB HIS A 105 23.554 15.713 -0.292 1.00 0.00 C ATOM 1676 CG HIS A 105 22.773 14.427 -0.286 1.00 0.00 C ATOM 1677 ND1 HIS A 105 22.665 13.623 -1.409 1.00 0.00 N ATOM 1678 CD2 HIS A 105 22.057 13.792 0.699 1.00 0.00 C ATOM 1679 CE1 HIS A 105 21.909 12.561 -1.076 1.00 0.00 C ATOM 1680 NE2 HIS A 105 21.512 12.614 0.198 1.00 0.00 N ATOM 0 H HIS A 105 21.439 16.657 -1.179 1.00 0.00 H new ATOM 0 HA HIS A 105 22.492 16.406 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.732 16.037 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 105 24.530 15.559 0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.935 14.153 1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.654 11.762 -1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.934 11.937 0.696 1.00 0.00 H new ATOM 1688 N HIS A 106 23.788 18.826 -0.385 1.00 0.00 N ATOM 1689 CA HIS A 106 24.635 20.056 -0.294 1.00 0.00 C ATOM 1690 C HIS A 106 23.925 21.221 -0.986 1.00 0.00 C ATOM 1691 O HIS A 106 23.277 21.056 -2.001 1.00 0.00 O ATOM 1692 CB HIS A 106 25.982 19.796 -0.970 1.00 0.00 C ATOM 1693 CG HIS A 106 26.712 18.717 -0.219 1.00 0.00 C ATOM 1694 ND1 HIS A 106 27.155 18.896 1.082 1.00 0.00 N ATOM 1695 CD2 HIS A 106 27.081 17.442 -0.568 1.00 0.00 C ATOM 1696 CE1 HIS A 106 27.758 17.756 1.466 1.00 0.00 C ATOM 1697 NE2 HIS A 106 27.741 16.836 0.498 1.00 0.00 N ATOM 0 H HIS A 106 23.338 18.680 -1.289 1.00 0.00 H new ATOM 0 HA HIS A 106 24.799 20.309 0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 106 25.830 19.495 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 106 26.576 20.710 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 106 26.889 16.979 -1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 106 28.202 17.604 2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 106 28.128 15.893 0.532 1.00 0.00 H new ATOM 1705 N HIS A 107 24.039 22.397 -0.436 1.00 0.00 N ATOM 1706 CA HIS A 107 23.371 23.583 -1.045 1.00 0.00 C ATOM 1707 C HIS A 107 23.984 23.878 -2.416 1.00 0.00 C ATOM 1708 O HIS A 107 23.287 24.160 -3.372 1.00 0.00 O ATOM 1709 CB HIS A 107 23.571 24.788 -0.125 1.00 0.00 C ATOM 1710 CG HIS A 107 22.820 25.971 -0.668 1.00 0.00 C ATOM 1711 ND1 HIS A 107 23.416 26.904 -1.500 1.00 0.00 N ATOM 1712 CD2 HIS A 107 21.524 26.389 -0.501 1.00 0.00 C ATOM 1713 CE1 HIS A 107 22.488 27.829 -1.800 1.00 0.00 C ATOM 1714 NE2 HIS A 107 21.316 27.564 -1.218 1.00 0.00 N ATOM 0 H HIS A 107 24.569 22.590 0.414 1.00 0.00 H new ATOM 0 HA HIS A 107 22.307 23.382 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.220 24.553 0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 107 24.632 25.024 -0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 107 20.779 25.884 0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.669 28.684 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.454 28.106 -1.284 1.00 0.00 H new ATOM 1722 N HIS A 108 25.283 23.822 -2.519 1.00 0.00 N ATOM 1723 CA HIS A 108 25.947 24.103 -3.827 1.00 0.00 C ATOM 1724 C HIS A 108 27.255 23.316 -3.904 1.00 0.00 C ATOM 1725 O HIS A 108 27.817 23.128 -4.965 1.00 0.00 O ATOM 1726 CB HIS A 108 26.247 25.600 -3.927 1.00 0.00 C ATOM 1727 CG HIS A 108 26.821 25.910 -5.282 1.00 0.00 C ATOM 1728 ND1 HIS A 108 26.053 25.874 -6.435 1.00 0.00 N ATOM 1729 CD2 HIS A 108 28.084 26.266 -5.684 1.00 0.00 C ATOM 1730 CE1 HIS A 108 26.855 26.198 -7.467 1.00 0.00 C ATOM 1731 NE2 HIS A 108 28.103 26.447 -7.063 1.00 0.00 N ATOM 0 H HIS A 108 25.916 23.593 -1.753 1.00 0.00 H new ATOM 0 HA HIS A 108 25.292 23.806 -4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 108 25.335 26.175 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 108 26.950 25.893 -3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 108 28.934 26.387 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 108 26.529 26.250 -8.495 1.00 0.00 H new ATOM 0 HE2 HIS A 108 28.900 26.713 -7.642 1.00 0.00 H new ATOM 1739 N HIS A 109 27.740 22.852 -2.786 1.00 0.00 N ATOM 1740 CA HIS A 109 29.011 22.075 -2.786 1.00 0.00 C ATOM 1741 C HIS A 109 29.257 21.507 -1.386 1.00 0.00 C ATOM 1742 O HIS A 109 29.310 20.296 -1.261 1.00 0.00 O ATOM 1743 CB HIS A 109 30.173 22.990 -3.177 1.00 0.00 C ATOM 1744 CG HIS A 109 31.461 22.216 -3.136 1.00 0.00 C ATOM 1745 ND1 HIS A 109 31.796 21.284 -4.107 1.00 0.00 N ATOM 1746 CD2 HIS A 109 32.511 22.228 -2.251 1.00 0.00 C ATOM 1747 CE1 HIS A 109 33.003 20.780 -3.786 1.00 0.00 C ATOM 1748 NE2 HIS A 109 33.482 21.321 -2.663 1.00 0.00 N ATOM 1749 OXT HIS A 109 29.386 22.296 -0.463 1.00 0.00 O ATOM 0 H HIS A 109 27.310 22.978 -1.870 1.00 0.00 H new ATOM 0 HA HIS A 109 28.938 21.259 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 109 30.011 23.393 -4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 109 30.226 23.839 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 109 32.573 22.848 -1.369 1.00 0.00 H new ATOM 0 HE1 HIS A 109 33.520 20.030 -4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 109 34.370 21.114 -2.205 1.00 0.00 H new TER 1757 HIS A 109