USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 770 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 53 THR OG1 : rot 144:sc= -0.0921 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.526 K(o=-0.62,f=1.8) USER MOD Set 2.1: A 38 TYR OH : rot -1:sc= 1.34 USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.394 K(o=1.7,f=-5.5!) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0086 (180deg=-0.167) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0572 (180deg=-0.0226) USER MOD Single : A 2 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.061) USER MOD Single : A 4 ASN : amide:sc= -0.715 X(o=-0.72,f=-1.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 8 ASN : amide:sc= -8.2! C(o=-8.2!,f=-12!) USER MOD Single : A 9 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 21 THR OG1 : rot 84:sc= -0.0841 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00898 X(o=-0.009,f=-0.27) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 35 ASN : amide:sc= -0.81 K(o=-0.81,f=-4.6!) USER MOD Single : A 36 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.5!) USER MOD Single : A 42 LYS NZ :NH3+ -109:sc= 0.0921 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-1.3) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 1:sc= -3.44! USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.00013) USER MOD Single : A 64 SER OG : rot -19:sc= 0.876 USER MOD Single : A 68 GLN : amide:sc= 0.294 X(o=0.29,f=-0.2) USER MOD Single : A 70 MET CE :methyl 171:sc= -12.3! (180deg=-12.6!) USER MOD Single : A 71 TYR OH : rot -18:sc= -0.706 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.34) USER MOD Single : A 86 THR OG1 : rot -21:sc= 0.405 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -15.8! C(o=-16!,f=-12!) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= 0.211 (180deg=-1.11) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.159 -12.172 -8.564 1.00 0.00 N ATOM 2 CA MET A 1 -0.259 -12.832 -7.583 1.00 0.00 C ATOM 3 C MET A 1 0.506 -11.804 -6.757 1.00 0.00 C ATOM 4 O MET A 1 0.509 -10.615 -7.077 1.00 0.00 O ATOM 5 CB MET A 1 0.716 -13.730 -8.344 1.00 0.00 C ATOM 6 CG MET A 1 0.046 -14.897 -9.051 1.00 0.00 C ATOM 7 SD MET A 1 1.226 -16.135 -9.620 1.00 0.00 S ATOM 8 CE MET A 1 2.184 -15.178 -10.792 1.00 0.00 C ATOM 0 H1 MET A 1 -2.138 -12.480 -8.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.097 -11.140 -8.452 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.872 -12.433 -9.529 1.00 0.00 H new ATOM 0 HA MET A 1 -0.857 -13.427 -6.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.251 -13.129 -9.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.459 -14.117 -7.647 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.668 -15.366 -8.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.521 -14.523 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.836 -15.843 -11.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.511 -14.661 -11.476 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.789 -14.446 -10.256 1.00 0.00 H new ATOM 20 N GLN A 2 1.157 -12.270 -5.695 1.00 0.00 N ATOM 21 CA GLN A 2 1.930 -11.394 -4.819 1.00 0.00 C ATOM 22 C GLN A 2 1.015 -10.448 -4.046 1.00 0.00 C ATOM 23 O GLN A 2 0.864 -10.573 -2.831 1.00 0.00 O ATOM 24 CB GLN A 2 2.952 -10.591 -5.629 1.00 0.00 C ATOM 25 CG GLN A 2 4.280 -10.403 -4.914 1.00 0.00 C ATOM 26 CD GLN A 2 4.732 -8.956 -4.892 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.040 -8.405 -3.834 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.771 -8.330 -6.062 1.00 0.00 N ATOM 0 H GLN A 2 1.165 -13.252 -5.419 1.00 0.00 H new ATOM 0 HA GLN A 2 2.461 -12.021 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.128 -11.096 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.532 -9.612 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.192 -10.768 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.041 -11.010 -5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.507 -8.825 -6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.065 -7.354 -6.109 1.00 0.00 H new ATOM 37 N LEU A 3 0.406 -9.505 -4.758 1.00 0.00 N ATOM 38 CA LEU A 3 -0.494 -8.542 -4.136 1.00 0.00 C ATOM 39 C LEU A 3 -1.895 -8.640 -4.732 1.00 0.00 C ATOM 40 O LEU A 3 -2.053 -8.836 -5.938 1.00 0.00 O ATOM 41 CB LEU A 3 0.048 -7.119 -4.301 1.00 0.00 C ATOM 42 CG LEU A 3 -0.005 -6.563 -5.727 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.062 -5.043 -5.705 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.195 -7.044 -6.533 1.00 0.00 C ATOM 0 H LEU A 3 0.520 -9.388 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.555 -8.776 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.517 -6.454 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.083 -7.099 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.911 -6.933 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.099 -4.665 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.953 -4.720 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.825 -4.653 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.140 -6.639 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.114 -6.705 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.190 -8.133 -6.578 1.00 0.00 H new ATOM 56 N ASN A 4 -2.909 -8.504 -3.883 1.00 0.00 N ATOM 57 CA ASN A 4 -4.295 -8.579 -4.329 1.00 0.00 C ATOM 58 C ASN A 4 -5.141 -7.497 -3.667 1.00 0.00 C ATOM 59 O ASN A 4 -4.870 -7.087 -2.539 1.00 0.00 O ATOM 60 CB ASN A 4 -4.878 -9.959 -4.022 1.00 0.00 C ATOM 61 CG ASN A 4 -4.559 -10.975 -5.100 1.00 0.00 C ATOM 62 OD1 ASN A 4 -3.788 -10.699 -6.020 1.00 0.00 O ATOM 63 ND2 ASN A 4 -5.151 -12.159 -4.992 1.00 0.00 N ATOM 0 H ASN A 4 -2.796 -8.341 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.312 -8.417 -5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.487 -10.311 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.959 -9.877 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.974 -12.883 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.783 -12.344 -4.213 1.00 0.00 H new ATOM 70 N ILE A 5 -6.170 -7.039 -4.376 1.00 0.00 N ATOM 71 CA ILE A 5 -7.058 -6.005 -3.855 1.00 0.00 C ATOM 72 C ILE A 5 -8.491 -6.513 -3.756 1.00 0.00 C ATOM 73 O ILE A 5 -8.908 -7.381 -4.523 1.00 0.00 O ATOM 74 CB ILE A 5 -7.042 -4.746 -4.742 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.607 -4.366 -5.114 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.733 -3.590 -4.033 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.522 -3.160 -6.024 1.00 0.00 C ATOM 0 H ILE A 5 -6.409 -7.368 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.690 -5.748 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.586 -4.965 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.044 -4.165 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.129 -5.215 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.714 -2.707 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.767 -3.860 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.214 -3.373 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.477 -2.946 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.057 -3.365 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.971 -2.299 -5.529 1.00 0.00 H new ATOM 89 N THR A 6 -9.245 -5.962 -2.810 1.00 0.00 N ATOM 90 CA THR A 6 -10.636 -6.355 -2.615 1.00 0.00 C ATOM 91 C THR A 6 -11.566 -5.168 -2.841 1.00 0.00 C ATOM 92 O THR A 6 -11.479 -4.157 -2.145 1.00 0.00 O ATOM 93 CB THR A 6 -10.836 -6.916 -1.205 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.919 -7.965 -0.948 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.230 -7.456 -0.970 1.00 0.00 C ATOM 0 H THR A 6 -8.916 -5.242 -2.167 1.00 0.00 H new ATOM 0 HA THR A 6 -10.878 -7.130 -3.342 1.00 0.00 H new ATOM 0 HB THR A 6 -10.671 -6.075 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.061 -8.309 -0.042 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.305 -7.838 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.958 -6.658 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.432 -8.262 -1.676 1.00 0.00 H new ATOM 103 N GLY A 7 -12.455 -5.297 -3.820 1.00 0.00 N ATOM 104 CA GLY A 7 -13.385 -4.226 -4.122 1.00 0.00 C ATOM 105 C GLY A 7 -14.704 -4.376 -3.391 1.00 0.00 C ATOM 106 O GLY A 7 -15.494 -5.267 -3.700 1.00 0.00 O ATOM 0 H GLY A 7 -12.548 -6.124 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.933 -3.271 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.570 -4.202 -5.196 1.00 0.00 H new ATOM 110 N ASN A 8 -14.944 -3.499 -2.421 1.00 0.00 N ATOM 111 CA ASN A 8 -16.178 -3.531 -1.643 1.00 0.00 C ATOM 112 C ASN A 8 -16.978 -2.251 -1.859 1.00 0.00 C ATOM 113 O ASN A 8 -16.583 -1.178 -1.404 1.00 0.00 O ATOM 114 CB ASN A 8 -15.870 -3.708 -0.151 1.00 0.00 C ATOM 115 CG ASN A 8 -14.592 -3.009 0.272 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.625 -2.029 1.013 1.00 0.00 O ATOM 117 ND2 ASN A 8 -13.456 -3.514 -0.194 1.00 0.00 N ATOM 0 H ASN A 8 -14.298 -2.756 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.772 -4.380 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.702 -3.320 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.789 -4.771 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.566 -3.087 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.474 -4.329 -0.807 1.00 0.00 H new ATOM 124 N ASN A 9 -18.099 -2.368 -2.564 1.00 0.00 N ATOM 125 CA ASN A 9 -18.946 -1.214 -2.844 1.00 0.00 C ATOM 126 C ASN A 9 -18.165 -0.145 -3.603 1.00 0.00 C ATOM 127 O ASN A 9 -18.426 1.049 -3.460 1.00 0.00 O ATOM 128 CB ASN A 9 -19.499 -0.631 -1.542 1.00 0.00 C ATOM 129 CG ASN A 9 -20.715 0.244 -1.771 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.523 -0.015 -2.665 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.855 1.289 -0.963 1.00 0.00 N ATOM 0 H ASN A 9 -18.441 -3.248 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.778 -1.545 -3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.762 -1.444 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.722 -0.046 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.655 1.913 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.163 1.467 -0.235 1.00 0.00 H new ATOM 138 N VAL A 10 -17.205 -0.587 -4.409 1.00 0.00 N ATOM 139 CA VAL A 10 -16.383 0.326 -5.193 1.00 0.00 C ATOM 140 C VAL A 10 -15.892 -0.343 -6.474 1.00 0.00 C ATOM 141 O VAL A 10 -15.450 -1.492 -6.455 1.00 0.00 O ATOM 142 CB VAL A 10 -15.173 0.826 -4.384 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.299 -0.341 -3.968 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.374 1.847 -5.183 1.00 0.00 C ATOM 0 H VAL A 10 -16.977 -1.573 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.010 1.179 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.539 1.319 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.447 0.028 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.879 -1.028 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.942 -0.863 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.524 2.187 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.015 1.388 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.010 2.698 -5.425 1.00 0.00 H new ATOM 154 N GLU A 11 -15.970 0.382 -7.586 1.00 0.00 N ATOM 155 CA GLU A 11 -15.534 -0.146 -8.873 1.00 0.00 C ATOM 156 C GLU A 11 -14.027 0.022 -9.050 1.00 0.00 C ATOM 157 O GLU A 11 -13.521 1.141 -9.113 1.00 0.00 O ATOM 158 CB GLU A 11 -16.274 0.557 -10.012 1.00 0.00 C ATOM 159 CG GLU A 11 -15.994 2.048 -10.089 1.00 0.00 C ATOM 160 CD GLU A 11 -17.180 2.839 -10.603 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.291 2.667 -10.056 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.001 3.632 -11.552 1.00 0.00 O ATOM 0 H GLU A 11 -16.331 1.335 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.767 -1.210 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.993 0.094 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.346 0.403 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.720 2.414 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.138 2.220 -10.741 1.00 0.00 H new ATOM 169 N ILE A 12 -13.318 -1.100 -9.134 1.00 0.00 N ATOM 170 CA ILE A 12 -11.870 -1.077 -9.308 1.00 0.00 C ATOM 171 C ILE A 12 -11.497 -0.585 -10.703 1.00 0.00 C ATOM 172 O ILE A 12 -11.706 -1.283 -11.695 1.00 0.00 O ATOM 173 CB ILE A 12 -11.255 -2.475 -9.078 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.518 -2.942 -7.642 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.759 -2.463 -9.372 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.671 -2.235 -6.604 1.00 0.00 C ATOM 0 H ILE A 12 -13.722 -2.035 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.467 -0.389 -8.565 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.729 -3.176 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.571 -2.786 -7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.333 -4.014 -7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.347 -3.458 -9.203 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.594 -2.173 -10.410 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.264 -1.749 -8.713 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.914 -2.619 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.616 -2.412 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.873 -1.164 -6.638 1.00 0.00 H new ATOM 188 N THR A 13 -10.940 0.620 -10.770 1.00 0.00 N ATOM 189 CA THR A 13 -10.533 1.205 -12.042 1.00 0.00 C ATOM 190 C THR A 13 -9.017 1.148 -12.203 1.00 0.00 C ATOM 191 O THR A 13 -8.278 1.409 -11.255 1.00 0.00 O ATOM 192 CB THR A 13 -11.015 2.653 -12.138 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.774 3.343 -10.925 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.491 2.774 -12.451 1.00 0.00 C ATOM 0 H THR A 13 -10.760 1.210 -9.958 1.00 0.00 H new ATOM 0 HA THR A 13 -10.988 0.625 -12.845 1.00 0.00 H new ATOM 0 HB THR A 13 -10.450 3.091 -12.960 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.088 4.268 -11.007 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.766 3.827 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.701 2.295 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.070 2.287 -11.667 1.00 0.00 H new ATOM 202 N GLU A 14 -8.567 0.790 -13.405 1.00 0.00 N ATOM 203 CA GLU A 14 -7.138 0.678 -13.709 1.00 0.00 C ATOM 204 C GLU A 14 -6.305 1.722 -12.966 1.00 0.00 C ATOM 205 O GLU A 14 -5.244 1.407 -12.424 1.00 0.00 O ATOM 206 CB GLU A 14 -6.908 0.816 -15.215 1.00 0.00 C ATOM 207 CG GLU A 14 -7.637 -0.234 -16.040 1.00 0.00 C ATOM 208 CD GLU A 14 -7.086 -0.355 -17.447 1.00 0.00 C ATOM 209 OE1 GLU A 14 -5.859 -0.528 -17.591 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.884 -0.278 -18.405 1.00 0.00 O ATOM 0 H GLU A 14 -9.177 0.570 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.814 -0.307 -13.372 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.232 1.807 -15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.839 0.749 -15.419 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.562 -1.200 -15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.696 0.019 -16.089 1.00 0.00 H new ATOM 217 N ALA A 15 -6.785 2.962 -12.942 1.00 0.00 N ATOM 218 CA ALA A 15 -6.074 4.038 -12.264 1.00 0.00 C ATOM 219 C ALA A 15 -5.947 3.763 -10.769 1.00 0.00 C ATOM 220 O ALA A 15 -4.868 3.899 -10.192 1.00 0.00 O ATOM 221 CB ALA A 15 -6.781 5.365 -12.500 1.00 0.00 C ATOM 0 H ALA A 15 -7.660 3.245 -13.383 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.068 4.092 -12.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.240 6.161 -11.988 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.812 5.576 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.798 5.309 -12.112 1.00 0.00 H new ATOM 227 N LEU A 16 -7.057 3.378 -10.146 1.00 0.00 N ATOM 228 CA LEU A 16 -7.069 3.086 -8.717 1.00 0.00 C ATOM 229 C LEU A 16 -6.086 1.971 -8.375 1.00 0.00 C ATOM 230 O LEU A 16 -5.117 2.189 -7.649 1.00 0.00 O ATOM 231 CB LEU A 16 -8.479 2.696 -8.266 1.00 0.00 C ATOM 232 CG LEU A 16 -8.897 3.248 -6.901 1.00 0.00 C ATOM 233 CD1 LEU A 16 -7.880 2.865 -5.834 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.062 4.758 -6.966 1.00 0.00 C ATOM 0 H LEU A 16 -7.959 3.261 -10.608 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.761 3.988 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.192 3.041 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.548 1.609 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.857 2.808 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.195 3.266 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.812 1.779 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.905 3.275 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.359 5.134 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.117 5.215 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.828 5.009 -7.699 1.00 0.00 H new ATOM 246 N ARG A 17 -6.342 0.777 -8.901 1.00 0.00 N ATOM 247 CA ARG A 17 -5.478 -0.373 -8.647 1.00 0.00 C ATOM 248 C ARG A 17 -4.023 -0.046 -8.974 1.00 0.00 C ATOM 249 O ARG A 17 -3.115 -0.387 -8.215 1.00 0.00 O ATOM 250 CB ARG A 17 -5.941 -1.580 -9.464 1.00 0.00 C ATOM 251 CG ARG A 17 -5.836 -1.376 -10.967 1.00 0.00 C ATOM 252 CD ARG A 17 -6.509 -2.507 -11.730 1.00 0.00 C ATOM 253 NE ARG A 17 -5.660 -3.693 -11.811 1.00 0.00 N ATOM 254 CZ ARG A 17 -5.849 -4.680 -12.684 1.00 0.00 C ATOM 255 NH1 ARG A 17 -6.854 -4.628 -13.549 1.00 0.00 N ATOM 256 NH2 ARG A 17 -5.029 -5.723 -12.693 1.00 0.00 N ATOM 0 H ARG A 17 -7.140 0.580 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.546 -0.617 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.346 -2.449 -9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.976 -1.806 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.297 -0.427 -11.240 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.786 -1.315 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.448 -2.766 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.756 -2.169 -12.736 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.877 -3.769 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.487 -3.828 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.993 -5.388 -14.215 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.254 -5.768 -12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.173 -6.480 -13.362 1.00 0.00 H new ATOM 270 N GLU A 18 -3.811 0.617 -10.106 1.00 0.00 N ATOM 271 CA GLU A 18 -2.467 0.991 -10.531 1.00 0.00 C ATOM 272 C GLU A 18 -1.774 1.831 -9.462 1.00 0.00 C ATOM 273 O GLU A 18 -0.613 1.593 -9.127 1.00 0.00 O ATOM 274 CB GLU A 18 -2.523 1.766 -11.849 1.00 0.00 C ATOM 275 CG GLU A 18 -1.153 2.142 -12.391 1.00 0.00 C ATOM 276 CD GLU A 18 -0.268 0.934 -12.630 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.405 0.300 -13.696 1.00 0.00 O ATOM 278 OE2 GLU A 18 0.560 0.622 -11.749 1.00 0.00 O ATOM 0 H GLU A 18 -4.552 0.906 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.892 0.077 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.047 1.165 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.109 2.674 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.274 2.690 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.661 2.815 -11.689 1.00 0.00 H new ATOM 285 N PHE A 19 -2.494 2.815 -8.931 1.00 0.00 N ATOM 286 CA PHE A 19 -1.951 3.690 -7.898 1.00 0.00 C ATOM 287 C PHE A 19 -1.484 2.886 -6.689 1.00 0.00 C ATOM 288 O PHE A 19 -0.405 3.125 -6.151 1.00 0.00 O ATOM 289 CB PHE A 19 -3.001 4.716 -7.468 1.00 0.00 C ATOM 290 CG PHE A 19 -2.495 5.704 -6.454 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.602 6.697 -6.821 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.912 5.634 -5.134 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.135 7.606 -5.890 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.448 6.540 -4.199 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.558 7.527 -4.577 1.00 0.00 C ATOM 0 H PHE A 19 -3.455 3.026 -9.199 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.090 4.212 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.350 5.257 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.862 4.191 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.267 6.762 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.607 4.864 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.440 8.377 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.781 6.477 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.194 8.235 -3.848 1.00 0.00 H new ATOM 305 N VAL A 20 -2.304 1.927 -6.268 1.00 0.00 N ATOM 306 CA VAL A 20 -1.972 1.087 -5.124 1.00 0.00 C ATOM 307 C VAL A 20 -0.729 0.252 -5.407 1.00 0.00 C ATOM 308 O VAL A 20 0.266 0.338 -4.688 1.00 0.00 O ATOM 309 CB VAL A 20 -3.136 0.147 -4.756 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.848 -0.574 -3.448 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.441 0.923 -4.670 1.00 0.00 C ATOM 0 H VAL A 20 -3.202 1.713 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.780 1.755 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.236 -0.602 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.681 -1.233 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.937 -1.164 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.719 0.157 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.252 0.243 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.355 1.696 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.652 1.387 -5.633 1.00 0.00 H new ATOM 321 N THR A 21 -0.792 -0.557 -6.461 1.00 0.00 N ATOM 322 CA THR A 21 0.330 -1.405 -6.841 1.00 0.00 C ATOM 323 C THR A 21 1.570 -0.566 -7.133 1.00 0.00 C ATOM 324 O THR A 21 2.698 -1.016 -6.929 1.00 0.00 O ATOM 325 CB THR A 21 -0.032 -2.246 -8.066 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.275 -2.899 -7.876 1.00 0.00 O ATOM 327 CG2 THR A 21 0.998 -3.308 -8.390 1.00 0.00 C ATOM 0 H THR A 21 -1.609 -0.642 -7.066 1.00 0.00 H new ATOM 0 HA THR A 21 0.551 -2.070 -6.006 1.00 0.00 H new ATOM 0 HB THR A 21 -0.077 -1.541 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.005 -2.286 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.679 -3.868 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.959 -2.834 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.098 -3.988 -7.544 1.00 0.00 H new ATOM 335 N ALA A 22 1.352 0.656 -7.609 1.00 0.00 N ATOM 336 CA ALA A 22 2.452 1.559 -7.927 1.00 0.00 C ATOM 337 C ALA A 22 3.323 1.811 -6.701 1.00 0.00 C ATOM 338 O ALA A 22 4.550 1.761 -6.778 1.00 0.00 O ATOM 339 CB ALA A 22 1.914 2.872 -8.474 1.00 0.00 C ATOM 0 H ALA A 22 0.424 1.043 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 22 3.071 1.087 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.746 3.537 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.338 2.680 -9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.272 3.341 -7.728 1.00 0.00 H new ATOM 345 N LYS A 23 2.678 2.078 -5.570 1.00 0.00 N ATOM 346 CA LYS A 23 3.393 2.332 -4.324 1.00 0.00 C ATOM 347 C LYS A 23 4.048 1.055 -3.809 1.00 0.00 C ATOM 348 O LYS A 23 5.232 1.045 -3.468 1.00 0.00 O ATOM 349 CB LYS A 23 2.439 2.894 -3.268 1.00 0.00 C ATOM 350 CG LYS A 23 1.619 4.076 -3.757 1.00 0.00 C ATOM 351 CD LYS A 23 2.408 5.373 -3.673 1.00 0.00 C ATOM 352 CE LYS A 23 1.881 6.410 -4.651 1.00 0.00 C ATOM 353 NZ LYS A 23 2.979 7.216 -5.254 1.00 0.00 N ATOM 0 H LYS A 23 1.662 2.124 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 23 4.173 3.067 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.763 2.103 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.016 3.199 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.309 3.904 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.711 4.162 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.354 5.768 -2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.459 5.175 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.321 5.911 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.185 7.073 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.577 7.911 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.498 7.713 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.630 6.587 -5.767 1.00 0.00 H new ATOM 367 N PHE A 24 3.271 -0.023 -3.759 1.00 0.00 N ATOM 368 CA PHE A 24 3.775 -1.311 -3.289 1.00 0.00 C ATOM 369 C PHE A 24 5.056 -1.690 -4.026 1.00 0.00 C ATOM 370 O PHE A 24 6.058 -2.046 -3.405 1.00 0.00 O ATOM 371 CB PHE A 24 2.715 -2.398 -3.481 1.00 0.00 C ATOM 372 CG PHE A 24 1.992 -2.760 -2.216 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.555 -3.643 -1.309 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.747 -2.219 -1.935 1.00 0.00 C ATOM 375 CE1 PHE A 24 1.890 -3.979 -0.143 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.079 -2.552 -0.772 1.00 0.00 C ATOM 377 CZ PHE A 24 0.652 -3.433 0.125 1.00 0.00 C ATOM 0 H PHE A 24 2.290 -0.031 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 24 4.001 -1.223 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.989 -2.060 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.191 -3.291 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.524 -4.074 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.294 -1.530 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.340 -4.668 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.890 -2.124 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.131 -3.694 1.035 1.00 0.00 H new ATOM 387 N ALA A 25 5.017 -1.607 -5.353 1.00 0.00 N ATOM 388 CA ALA A 25 6.178 -1.936 -6.172 1.00 0.00 C ATOM 389 C ALA A 25 7.408 -1.157 -5.713 1.00 0.00 C ATOM 390 O ALA A 25 8.469 -1.735 -5.480 1.00 0.00 O ATOM 391 CB ALA A 25 5.888 -1.653 -7.638 1.00 0.00 C ATOM 0 H ALA A 25 4.195 -1.315 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 25 6.387 -2.999 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.764 -1.903 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.041 -2.256 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.652 -0.597 -7.765 1.00 0.00 H new ATOM 397 N LYS A 26 7.256 0.158 -5.587 1.00 0.00 N ATOM 398 CA LYS A 26 8.352 1.018 -5.154 1.00 0.00 C ATOM 399 C LYS A 26 8.951 0.520 -3.841 1.00 0.00 C ATOM 400 O LYS A 26 10.140 0.706 -3.581 1.00 0.00 O ATOM 401 CB LYS A 26 7.864 2.460 -4.995 1.00 0.00 C ATOM 402 CG LYS A 26 8.359 3.392 -6.088 1.00 0.00 C ATOM 403 CD LYS A 26 8.684 4.772 -5.540 1.00 0.00 C ATOM 404 CE LYS A 26 10.092 4.827 -4.970 1.00 0.00 C ATOM 405 NZ LYS A 26 11.120 4.967 -6.038 1.00 0.00 N ATOM 0 H LYS A 26 6.384 0.651 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 26 9.129 0.988 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.774 2.468 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.191 2.841 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.247 2.967 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.600 3.478 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.582 5.513 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.965 5.035 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.171 5.666 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.287 3.921 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.066 5.001 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.063 4.154 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.951 5.844 -6.570 1.00 0.00 H new ATOM 419 N LEU A 27 8.124 -0.120 -3.020 1.00 0.00 N ATOM 420 CA LEU A 27 8.582 -0.651 -1.741 1.00 0.00 C ATOM 421 C LEU A 27 9.365 -1.943 -1.947 1.00 0.00 C ATOM 422 O LEU A 27 10.286 -2.252 -1.191 1.00 0.00 O ATOM 423 CB LEU A 27 7.397 -0.901 -0.807 1.00 0.00 C ATOM 424 CG LEU A 27 6.931 0.321 -0.011 1.00 0.00 C ATOM 425 CD1 LEU A 27 5.941 1.141 -0.823 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.314 -0.109 1.311 1.00 0.00 C ATOM 0 H LEU A 27 7.137 -0.283 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 27 9.239 0.088 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.560 -1.271 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.667 -1.691 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 27 7.799 0.945 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.621 2.005 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.417 1.479 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.074 0.527 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.988 0.772 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.457 -0.755 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.054 -0.653 1.898 1.00 0.00 H new ATOM 438 N GLU A 28 8.993 -2.690 -2.981 1.00 0.00 N ATOM 439 CA GLU A 28 9.658 -3.948 -3.302 1.00 0.00 C ATOM 440 C GLU A 28 11.138 -3.732 -3.619 1.00 0.00 C ATOM 441 O GLU A 28 11.917 -4.685 -3.651 1.00 0.00 O ATOM 442 CB GLU A 28 8.962 -4.628 -4.485 1.00 0.00 C ATOM 443 CG GLU A 28 8.097 -5.812 -4.082 1.00 0.00 C ATOM 444 CD GLU A 28 8.650 -7.135 -4.577 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.746 -7.526 -4.124 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.987 -7.779 -5.416 1.00 0.00 O ATOM 0 H GLU A 28 8.231 -2.445 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 28 9.591 -4.593 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.343 -3.895 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.717 -4.965 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.012 -5.842 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.091 -5.673 -4.477 1.00 0.00 H new ATOM 453 N GLN A 29 11.525 -2.479 -3.850 1.00 0.00 N ATOM 454 CA GLN A 29 12.911 -2.153 -4.160 1.00 0.00 C ATOM 455 C GLN A 29 13.793 -2.292 -2.921 1.00 0.00 C ATOM 456 O GLN A 29 14.755 -3.058 -2.918 1.00 0.00 O ATOM 457 CB GLN A 29 13.011 -0.730 -4.713 1.00 0.00 C ATOM 458 CG GLN A 29 14.426 -0.323 -5.093 1.00 0.00 C ATOM 459 CD GLN A 29 14.597 1.182 -5.173 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.216 1.911 -4.258 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.173 1.652 -6.273 1.00 0.00 N ATOM 0 H GLN A 29 10.897 -1.675 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 29 13.263 -2.855 -4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.369 -0.644 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.629 -0.032 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.125 -0.726 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.682 -0.766 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.473 1.009 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.315 2.656 -6.385 1.00 0.00 H new ATOM 470 N TYR A 30 13.460 -1.545 -1.871 1.00 0.00 N ATOM 471 CA TYR A 30 14.232 -1.592 -0.631 1.00 0.00 C ATOM 472 C TYR A 30 13.741 -2.706 0.291 1.00 0.00 C ATOM 473 O TYR A 30 14.489 -3.184 1.145 1.00 0.00 O ATOM 474 CB TYR A 30 14.193 -0.241 0.099 1.00 0.00 C ATOM 475 CG TYR A 30 12.885 0.511 -0.035 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.784 0.174 0.740 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.761 1.567 -0.928 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.593 0.866 0.626 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.573 2.263 -1.049 1.00 0.00 C ATOM 480 CZ TYR A 30 10.492 1.909 -0.270 1.00 0.00 C ATOM 481 OH TYR A 30 9.308 2.601 -0.386 1.00 0.00 O ATOM 0 H TYR A 30 12.667 -0.904 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 30 15.265 -1.807 -0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.394 -0.409 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.998 0.387 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.859 -0.642 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.606 1.849 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.745 0.591 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.492 3.080 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 30 9.405 3.305 -1.060 1.00 0.00 H new ATOM 491 N PHE A 31 12.491 -3.126 0.115 1.00 0.00 N ATOM 492 CA PHE A 31 11.928 -4.196 0.935 1.00 0.00 C ATOM 493 C PHE A 31 11.981 -5.527 0.193 1.00 0.00 C ATOM 494 O PHE A 31 11.384 -5.680 -0.871 1.00 0.00 O ATOM 495 CB PHE A 31 10.481 -3.879 1.329 1.00 0.00 C ATOM 496 CG PHE A 31 10.335 -2.699 2.254 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.356 -2.342 3.121 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.169 -1.950 2.254 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.216 -1.258 3.969 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.024 -0.867 3.099 1.00 0.00 C ATOM 501 CZ PHE A 31 10.049 -0.521 3.958 1.00 0.00 C ATOM 0 H PHE A 31 11.852 -2.745 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 31 12.528 -4.272 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.903 -3.690 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.046 -4.757 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.271 -2.916 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.364 -2.216 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.019 -0.989 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.110 -0.291 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.937 0.325 4.620 1.00 0.00 H new ATOM 511 N ASP A 32 12.701 -6.488 0.763 1.00 0.00 N ATOM 512 CA ASP A 32 12.833 -7.807 0.155 1.00 0.00 C ATOM 513 C ASP A 32 12.028 -8.859 0.919 1.00 0.00 C ATOM 514 O ASP A 32 12.081 -10.045 0.597 1.00 0.00 O ATOM 515 CB ASP A 32 14.306 -8.220 0.103 1.00 0.00 C ATOM 516 CG ASP A 32 14.995 -7.742 -1.161 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.837 -6.553 -1.509 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.693 -8.556 -1.802 1.00 0.00 O ATOM 0 H ASP A 32 13.202 -6.378 1.645 1.00 0.00 H new ATOM 0 HA ASP A 32 12.436 -7.746 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.825 -7.816 0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.379 -9.306 0.165 1.00 0.00 H new ATOM 523 N ARG A 33 11.283 -8.420 1.932 1.00 0.00 N ATOM 524 CA ARG A 33 10.474 -9.332 2.732 1.00 0.00 C ATOM 525 C ARG A 33 8.990 -9.169 2.409 1.00 0.00 C ATOM 526 O ARG A 33 8.203 -8.738 3.251 1.00 0.00 O ATOM 527 CB ARG A 33 10.715 -9.084 4.223 1.00 0.00 C ATOM 528 CG ARG A 33 12.181 -8.902 4.581 1.00 0.00 C ATOM 529 CD ARG A 33 12.926 -10.228 4.573 1.00 0.00 C ATOM 530 NE ARG A 33 14.237 -10.116 3.939 1.00 0.00 N ATOM 531 CZ ARG A 33 15.206 -11.019 4.075 1.00 0.00 C ATOM 532 NH1 ARG A 33 15.015 -12.099 4.822 1.00 0.00 N ATOM 533 NH2 ARG A 33 16.368 -10.841 3.462 1.00 0.00 N ATOM 0 H ARG A 33 11.224 -7.442 2.216 1.00 0.00 H new ATOM 0 HA ARG A 33 10.770 -10.352 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.162 -8.196 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.312 -9.922 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.647 -8.217 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.262 -8.444 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.048 -10.582 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.331 -10.975 4.047 1.00 0.00 H new ATOM 0 HE ARG A 33 14.421 -9.298 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.123 -12.240 5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.761 -12.788 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.519 -10.013 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.111 -11.532 3.566 1.00 0.00 H new ATOM 547 N ILE A 34 8.617 -9.516 1.181 1.00 0.00 N ATOM 548 CA ILE A 34 7.231 -9.408 0.745 1.00 0.00 C ATOM 549 C ILE A 34 6.821 -10.616 -0.090 1.00 0.00 C ATOM 550 O ILE A 34 7.254 -10.769 -1.232 1.00 0.00 O ATOM 551 CB ILE A 34 6.996 -8.127 -0.077 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.595 -6.915 0.641 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.510 -7.921 -0.326 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.699 -5.685 -0.234 1.00 0.00 C ATOM 0 H ILE A 34 9.256 -9.874 0.471 1.00 0.00 H new ATOM 0 HA ILE A 34 6.620 -9.368 1.647 1.00 0.00 H new ATOM 0 HB ILE A 34 7.494 -8.237 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.984 -6.680 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.588 -7.175 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.361 -7.012 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.112 -8.773 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.990 -7.830 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.132 -4.866 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.335 -5.902 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.706 -5.400 -0.581 1.00 0.00 H new ATOM 566 N ASN A 35 5.981 -11.471 0.485 1.00 0.00 N ATOM 567 CA ASN A 35 5.511 -12.665 -0.209 1.00 0.00 C ATOM 568 C ASN A 35 4.042 -12.528 -0.599 1.00 0.00 C ATOM 569 O ASN A 35 3.688 -12.645 -1.771 1.00 0.00 O ATOM 570 CB ASN A 35 5.709 -13.906 0.666 1.00 0.00 C ATOM 571 CG ASN A 35 5.333 -13.666 2.114 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.890 -12.790 2.775 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.381 -14.446 2.616 1.00 0.00 N ATOM 0 H ASN A 35 5.612 -11.359 1.429 1.00 0.00 H new ATOM 0 HA ASN A 35 6.099 -12.778 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.108 -14.725 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.751 -14.221 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.085 -14.330 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.946 -15.160 2.032 1.00 0.00 H new ATOM 580 N GLN A 36 3.189 -12.279 0.391 1.00 0.00 N ATOM 581 CA GLN A 36 1.760 -12.128 0.148 1.00 0.00 C ATOM 582 C GLN A 36 1.230 -10.853 0.792 1.00 0.00 C ATOM 583 O GLN A 36 1.387 -10.640 1.994 1.00 0.00 O ATOM 584 CB GLN A 36 0.994 -13.337 0.687 1.00 0.00 C ATOM 585 CG GLN A 36 -0.420 -13.455 0.139 1.00 0.00 C ATOM 586 CD GLN A 36 -0.605 -14.676 -0.739 1.00 0.00 C ATOM 587 OE1 GLN A 36 0.363 -15.240 -1.252 1.00 0.00 O ATOM 588 NE2 GLN A 36 -1.853 -15.092 -0.920 1.00 0.00 N ATOM 0 H GLN A 36 3.464 -12.178 1.368 1.00 0.00 H new ATOM 0 HA GLN A 36 1.609 -12.062 -0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.546 -14.245 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.949 -13.273 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.125 -13.499 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.659 -12.560 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.626 -14.595 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.039 -15.908 -1.503 1.00 0.00 H new ATOM 597 N VAL A 37 0.598 -10.012 -0.016 1.00 0.00 N ATOM 598 CA VAL A 37 0.037 -8.758 0.471 1.00 0.00 C ATOM 599 C VAL A 37 -1.387 -8.569 -0.034 1.00 0.00 C ATOM 600 O VAL A 37 -1.682 -8.823 -1.202 1.00 0.00 O ATOM 601 CB VAL A 37 0.887 -7.545 0.043 1.00 0.00 C ATOM 602 CG1 VAL A 37 1.980 -7.272 1.064 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.483 -7.756 -1.341 1.00 0.00 C ATOM 0 H VAL A 37 0.461 -10.176 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 37 0.036 -8.816 1.559 1.00 0.00 H new ATOM 0 HB VAL A 37 0.234 -6.674 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.570 -6.413 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.528 -7.062 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.627 -8.145 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.078 -6.885 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.119 -8.642 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.680 -7.893 -2.066 1.00 0.00 H new ATOM 613 N TYR A 38 -2.269 -8.120 0.851 1.00 0.00 N ATOM 614 CA TYR A 38 -3.662 -7.894 0.489 1.00 0.00 C ATOM 615 C TYR A 38 -4.143 -6.538 0.996 1.00 0.00 C ATOM 616 O TYR A 38 -3.745 -6.089 2.071 1.00 0.00 O ATOM 617 CB TYR A 38 -4.555 -9.017 1.030 1.00 0.00 C ATOM 618 CG TYR A 38 -4.107 -9.584 2.360 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.955 -10.354 2.459 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.843 -9.352 3.518 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.548 -10.880 3.672 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.441 -9.872 4.734 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.295 -10.635 4.804 1.00 0.00 C ATOM 624 OH TYR A 38 -2.894 -11.155 6.014 1.00 0.00 O ATOM 0 H TYR A 38 -2.044 -7.906 1.823 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.730 -7.896 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.572 -8.638 1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.588 -9.823 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.367 -10.545 1.574 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.742 -8.756 3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.651 -11.479 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.022 -9.682 5.625 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.075 -11.679 5.890 1.00 0.00 H new ATOM 634 N VAL A 39 -4.993 -5.891 0.209 1.00 0.00 N ATOM 635 CA VAL A 39 -5.524 -4.580 0.569 1.00 0.00 C ATOM 636 C VAL A 39 -7.023 -4.497 0.302 1.00 0.00 C ATOM 637 O VAL A 39 -7.526 -5.073 -0.662 1.00 0.00 O ATOM 638 CB VAL A 39 -4.815 -3.456 -0.209 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.213 -2.093 0.335 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.305 -3.639 -0.153 1.00 0.00 C ATOM 0 H VAL A 39 -5.330 -6.252 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.341 -4.449 1.636 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.128 -3.510 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.701 -1.313 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.291 -1.963 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.933 -2.025 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.820 -2.836 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.974 -3.614 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.038 -4.598 -0.596 1.00 0.00 H new ATOM 650 N VAL A 40 -7.729 -3.771 1.163 1.00 0.00 N ATOM 651 CA VAL A 40 -9.171 -3.604 1.022 1.00 0.00 C ATOM 652 C VAL A 40 -9.581 -2.172 1.328 1.00 0.00 C ATOM 653 O VAL A 40 -9.153 -1.587 2.322 1.00 0.00 O ATOM 654 CB VAL A 40 -9.945 -4.567 1.942 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.430 -4.542 1.619 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.391 -5.978 1.824 1.00 0.00 C ATOM 0 H VAL A 40 -7.326 -3.289 1.966 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.421 -3.838 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.817 -4.235 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.958 -5.229 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.816 -3.533 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.582 -4.846 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.950 -6.644 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.485 -6.321 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.340 -5.982 2.113 1.00 0.00 H new ATOM 666 N LEU A 41 -10.397 -1.611 0.448 1.00 0.00 N ATOM 667 CA LEU A 41 -10.853 -0.239 0.595 1.00 0.00 C ATOM 668 C LEU A 41 -12.366 -0.120 0.425 1.00 0.00 C ATOM 669 O LEU A 41 -12.930 -0.559 -0.576 1.00 0.00 O ATOM 670 CB LEU A 41 -10.129 0.660 -0.413 1.00 0.00 C ATOM 671 CG LEU A 41 -9.778 0.003 -1.757 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.757 -1.109 -1.570 1.00 0.00 C ATOM 673 CD2 LEU A 41 -11.028 -0.522 -2.447 1.00 0.00 C ATOM 0 H LEU A 41 -10.758 -2.088 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.615 0.086 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.752 1.533 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.209 1.022 0.045 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.333 0.765 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.526 -1.557 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.847 -0.698 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.166 -1.870 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.754 -0.982 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.511 -1.263 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.716 0.303 -2.630 1.00 0.00 H new ATOM 685 N LYS A 42 -13.015 0.487 1.413 1.00 0.00 N ATOM 686 CA LYS A 42 -14.459 0.680 1.377 1.00 0.00 C ATOM 687 C LYS A 42 -14.790 2.139 1.082 1.00 0.00 C ATOM 688 O LYS A 42 -14.073 3.047 1.505 1.00 0.00 O ATOM 689 CB LYS A 42 -15.093 0.240 2.701 1.00 0.00 C ATOM 690 CG LYS A 42 -16.554 0.639 2.848 1.00 0.00 C ATOM 691 CD LYS A 42 -17.160 0.081 4.126 1.00 0.00 C ATOM 692 CE LYS A 42 -16.414 0.569 5.359 1.00 0.00 C ATOM 693 NZ LYS A 42 -17.241 0.449 6.592 1.00 0.00 N ATOM 0 H LYS A 42 -12.562 0.854 2.250 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.872 0.063 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.012 -0.843 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.524 0.670 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.637 1.726 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.119 0.278 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.207 0.377 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.138 -1.008 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.496 -0.007 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.121 1.609 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.524 1.397 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.090 -0.115 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.687 -0.018 7.338 1.00 0.00 H new ATOM 707 N VAL A 43 -15.880 2.355 0.353 1.00 0.00 N ATOM 708 CA VAL A 43 -16.306 3.702 -0.004 1.00 0.00 C ATOM 709 C VAL A 43 -17.730 3.973 0.464 1.00 0.00 C ATOM 710 O VAL A 43 -18.691 3.449 -0.098 1.00 0.00 O ATOM 711 CB VAL A 43 -16.227 3.931 -1.525 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.487 5.392 -1.861 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.876 3.484 -2.062 1.00 0.00 C ATOM 0 H VAL A 43 -16.484 1.614 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.625 4.390 0.497 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.000 3.330 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.427 5.533 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.481 5.674 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.740 6.017 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.838 3.653 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.085 4.055 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.736 2.423 -1.856 1.00 0.00 H new ATOM 723 N GLU A 44 -17.858 4.798 1.496 1.00 0.00 N ATOM 724 CA GLU A 44 -19.164 5.145 2.042 1.00 0.00 C ATOM 725 C GLU A 44 -19.350 6.659 2.070 1.00 0.00 C ATOM 726 O GLU A 44 -18.380 7.412 2.150 1.00 0.00 O ATOM 727 CB GLU A 44 -19.332 4.567 3.449 1.00 0.00 C ATOM 728 CG GLU A 44 -18.073 4.643 4.297 1.00 0.00 C ATOM 729 CD GLU A 44 -18.222 3.929 5.627 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.365 3.820 6.117 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.195 3.480 6.177 1.00 0.00 O ATOM 0 H GLU A 44 -17.072 5.240 1.972 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.927 4.712 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.134 5.101 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.643 3.525 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.241 4.206 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.822 5.689 4.476 1.00 0.00 H new ATOM 738 N LYS A 45 -20.602 7.096 1.993 1.00 0.00 N ATOM 739 CA LYS A 45 -20.923 8.520 2.000 1.00 0.00 C ATOM 740 C LYS A 45 -20.324 9.235 3.211 1.00 0.00 C ATOM 741 O LYS A 45 -20.216 10.461 3.219 1.00 0.00 O ATOM 742 CB LYS A 45 -22.441 8.715 1.982 1.00 0.00 C ATOM 743 CG LYS A 45 -22.865 10.173 1.887 1.00 0.00 C ATOM 744 CD LYS A 45 -23.436 10.675 3.204 1.00 0.00 C ATOM 745 CE LYS A 45 -24.486 11.752 2.983 1.00 0.00 C ATOM 746 NZ LYS A 45 -23.969 13.108 3.310 1.00 0.00 N ATOM 0 H LYS A 45 -21.414 6.483 1.925 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.484 8.959 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.860 8.167 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.866 8.280 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.008 10.784 1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.610 10.286 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.878 9.842 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.631 11.072 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.815 11.730 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.360 11.539 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.716 13.813 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.678 13.137 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.151 13.323 2.705 1.00 0.00 H new ATOM 760 N VAL A 46 -19.941 8.476 4.236 1.00 0.00 N ATOM 761 CA VAL A 46 -19.361 9.068 5.441 1.00 0.00 C ATOM 762 C VAL A 46 -17.843 9.213 5.328 1.00 0.00 C ATOM 763 O VAL A 46 -17.342 10.274 4.954 1.00 0.00 O ATOM 764 CB VAL A 46 -19.706 8.264 6.718 1.00 0.00 C ATOM 765 CG1 VAL A 46 -20.916 8.867 7.416 1.00 0.00 C ATOM 766 CG2 VAL A 46 -19.950 6.797 6.403 1.00 0.00 C ATOM 0 H VAL A 46 -20.020 7.459 4.258 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.807 10.059 5.528 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.849 8.322 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.145 8.289 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.699 9.898 7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.773 8.846 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.190 6.262 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.782 6.708 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.054 6.367 5.956 1.00 0.00 H new ATOM 776 N THR A 47 -17.111 8.150 5.658 1.00 0.00 N ATOM 777 CA THR A 47 -15.652 8.178 5.593 1.00 0.00 C ATOM 778 C THR A 47 -15.104 6.990 4.808 1.00 0.00 C ATOM 779 O THR A 47 -15.702 5.916 4.789 1.00 0.00 O ATOM 780 CB THR A 47 -15.062 8.185 7.004 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.769 9.084 7.839 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.601 8.575 7.041 1.00 0.00 C ATOM 0 H THR A 47 -17.503 7.262 5.972 1.00 0.00 H new ATOM 0 HA THR A 47 -15.360 9.090 5.073 1.00 0.00 H new ATOM 0 HB THR A 47 -15.155 7.159 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.378 9.073 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.246 8.560 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.021 7.869 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.482 9.578 6.631 1.00 0.00 H new ATOM 790 N HIS A 48 -13.953 7.188 4.172 1.00 0.00 N ATOM 791 CA HIS A 48 -13.315 6.129 3.398 1.00 0.00 C ATOM 792 C HIS A 48 -12.403 5.292 4.289 1.00 0.00 C ATOM 793 O HIS A 48 -11.686 5.829 5.132 1.00 0.00 O ATOM 794 CB HIS A 48 -12.511 6.723 2.239 1.00 0.00 C ATOM 795 CG HIS A 48 -13.362 7.376 1.196 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.409 6.946 -0.115 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.202 8.436 1.272 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.241 7.712 -0.797 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.736 8.623 0.020 1.00 0.00 N ATOM 0 H HIS A 48 -13.444 8.072 4.178 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.095 5.486 2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.807 7.456 2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.922 5.933 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.413 9.025 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.477 7.610 -1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.406 9.348 -0.237 1.00 0.00 H new ATOM 808 N THR A 49 -12.444 3.976 4.109 1.00 0.00 N ATOM 809 CA THR A 49 -11.624 3.076 4.915 1.00 0.00 C ATOM 810 C THR A 49 -10.764 2.165 4.045 1.00 0.00 C ATOM 811 O THR A 49 -11.253 1.549 3.099 1.00 0.00 O ATOM 812 CB THR A 49 -12.511 2.232 5.831 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.374 3.056 6.594 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.727 1.370 6.797 1.00 0.00 C ATOM 0 H THR A 49 -13.032 3.510 3.417 1.00 0.00 H new ATOM 0 HA THR A 49 -10.957 3.691 5.519 1.00 0.00 H new ATOM 0 HB THR A 49 -13.075 1.581 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.934 2.497 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.417 0.798 7.417 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.088 0.686 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.110 2.005 7.433 1.00 0.00 H new ATOM 822 N SER A 50 -9.481 2.081 4.382 1.00 0.00 N ATOM 823 CA SER A 50 -8.543 1.240 3.645 1.00 0.00 C ATOM 824 C SER A 50 -7.634 0.485 4.609 1.00 0.00 C ATOM 825 O SER A 50 -7.168 1.045 5.602 1.00 0.00 O ATOM 826 CB SER A 50 -7.702 2.090 2.691 1.00 0.00 C ATOM 827 OG SER A 50 -7.089 3.171 3.374 1.00 0.00 O ATOM 0 H SER A 50 -9.065 2.587 5.164 1.00 0.00 H new ATOM 0 HA SER A 50 -9.114 0.517 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.936 1.469 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.333 2.474 1.889 1.00 0.00 H new ATOM 0 HG SER A 50 -7.324 3.133 4.325 1.00 0.00 H new ATOM 833 N ASP A 51 -7.389 -0.790 4.322 1.00 0.00 N ATOM 834 CA ASP A 51 -6.541 -1.613 5.178 1.00 0.00 C ATOM 835 C ASP A 51 -5.442 -2.302 4.373 1.00 0.00 C ATOM 836 O ASP A 51 -5.611 -2.591 3.188 1.00 0.00 O ATOM 837 CB ASP A 51 -7.385 -2.659 5.911 1.00 0.00 C ATOM 838 CG ASP A 51 -8.016 -3.666 4.968 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.851 -3.513 3.738 1.00 0.00 O ATOM 840 OD2 ASP A 51 -8.676 -4.606 5.458 1.00 0.00 O ATOM 0 H ASP A 51 -7.764 -1.274 3.506 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.067 -0.957 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.759 -3.185 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.169 -2.156 6.477 1.00 0.00 H new ATOM 845 N ALA A 52 -4.317 -2.565 5.033 1.00 0.00 N ATOM 846 CA ALA A 52 -3.185 -3.224 4.392 1.00 0.00 C ATOM 847 C ALA A 52 -2.555 -4.255 5.324 1.00 0.00 C ATOM 848 O ALA A 52 -2.433 -4.025 6.527 1.00 0.00 O ATOM 849 CB ALA A 52 -2.151 -2.194 3.962 1.00 0.00 C ATOM 0 H ALA A 52 -4.166 -2.331 6.014 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.549 -3.746 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.311 -2.699 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.603 -1.497 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.797 -1.647 4.836 1.00 0.00 H new ATOM 855 N THR A 53 -2.163 -5.393 4.761 1.00 0.00 N ATOM 856 CA THR A 53 -1.551 -6.460 5.546 1.00 0.00 C ATOM 857 C THR A 53 -0.409 -7.129 4.786 1.00 0.00 C ATOM 858 O THR A 53 -0.635 -7.849 3.815 1.00 0.00 O ATOM 859 CB THR A 53 -2.601 -7.507 5.921 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.887 -6.919 6.003 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.322 -8.189 7.243 1.00 0.00 C ATOM 0 H THR A 53 -2.258 -5.600 3.767 1.00 0.00 H new ATOM 0 HA THR A 53 -1.142 -6.012 6.451 1.00 0.00 H new ATOM 0 HB THR A 53 -2.558 -8.255 5.130 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.559 -7.555 5.679 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.105 -8.919 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.358 -8.695 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.302 -7.445 8.039 1.00 0.00 H new ATOM 869 N LEU A 54 0.821 -6.887 5.236 1.00 0.00 N ATOM 870 CA LEU A 54 1.995 -7.472 4.596 1.00 0.00 C ATOM 871 C LEU A 54 2.528 -8.650 5.409 1.00 0.00 C ATOM 872 O LEU A 54 2.469 -8.645 6.640 1.00 0.00 O ATOM 873 CB LEU A 54 3.092 -6.419 4.427 1.00 0.00 C ATOM 874 CG LEU A 54 2.622 -5.079 3.860 1.00 0.00 C ATOM 875 CD1 LEU A 54 2.123 -4.172 4.974 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.746 -4.411 3.083 1.00 0.00 C ATOM 0 H LEU A 54 1.029 -6.292 6.038 1.00 0.00 H new ATOM 0 HA LEU A 54 1.696 -7.835 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.557 -6.243 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.864 -6.823 3.772 1.00 0.00 H new ATOM 0 HG LEU A 54 1.793 -5.263 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.793 -3.223 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.288 -4.651 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.929 -3.991 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.397 -3.458 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.594 -4.239 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.054 -5.057 2.261 1.00 0.00 H new ATOM 888 N HIS A 55 3.048 -9.654 4.711 1.00 0.00 N ATOM 889 CA HIS A 55 3.594 -10.838 5.364 1.00 0.00 C ATOM 890 C HIS A 55 5.120 -10.812 5.354 1.00 0.00 C ATOM 891 O HIS A 55 5.736 -10.479 4.342 1.00 0.00 O ATOM 892 CB HIS A 55 3.090 -12.106 4.673 1.00 0.00 C ATOM 893 CG HIS A 55 1.690 -12.479 5.050 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.363 -13.678 5.646 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.525 -11.800 4.911 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.060 -13.722 5.858 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.471 -12.596 5.422 1.00 0.00 N ATOM 0 H HIS A 55 3.103 -9.671 3.693 1.00 0.00 H new ATOM 0 HA HIS A 55 3.256 -10.838 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.141 -11.966 3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.756 -12.933 4.919 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.024 -14.416 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.403 -10.818 4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.479 -14.541 6.311 1.00 0.00 H new ATOM 906 N VAL A 56 5.722 -11.163 6.485 1.00 0.00 N ATOM 907 CA VAL A 56 7.175 -11.179 6.605 1.00 0.00 C ATOM 908 C VAL A 56 7.648 -12.388 7.405 1.00 0.00 C ATOM 909 O VAL A 56 6.882 -12.983 8.161 1.00 0.00 O ATOM 910 CB VAL A 56 7.697 -9.896 7.278 1.00 0.00 C ATOM 911 CG1 VAL A 56 7.409 -8.680 6.410 1.00 0.00 C ATOM 912 CG2 VAL A 56 7.084 -9.731 8.661 1.00 0.00 C ATOM 0 H VAL A 56 5.226 -11.440 7.332 1.00 0.00 H new ATOM 0 HA VAL A 56 7.575 -11.238 5.593 1.00 0.00 H new ATOM 0 HB VAL A 56 8.778 -9.982 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.785 -7.784 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.901 -8.797 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.333 -8.587 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.465 -8.819 9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.999 -9.668 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.348 -10.588 9.281 1.00 0.00 H new ATOM 922 N ASN A 57 8.918 -12.744 7.234 1.00 0.00 N ATOM 923 CA ASN A 57 9.495 -13.881 7.941 1.00 0.00 C ATOM 924 C ASN A 57 9.707 -13.553 9.414 1.00 0.00 C ATOM 925 O ASN A 57 10.644 -12.840 9.774 1.00 0.00 O ATOM 926 CB ASN A 57 10.826 -14.285 7.300 1.00 0.00 C ATOM 927 CG ASN A 57 10.647 -14.846 5.904 1.00 0.00 C ATOM 928 OD1 ASN A 57 9.964 -15.851 5.708 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.265 -14.198 4.923 1.00 0.00 N ATOM 0 H ASN A 57 9.566 -12.261 6.612 1.00 0.00 H new ATOM 0 HA ASN A 57 8.797 -14.715 7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.484 -13.417 7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.318 -15.029 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.183 -14.530 3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.821 -13.369 5.131 1.00 0.00 H new ATOM 936 N GLY A 58 8.829 -14.078 10.265 1.00 0.00 N ATOM 937 CA GLY A 58 8.937 -13.828 11.690 1.00 0.00 C ATOM 938 C GLY A 58 7.676 -13.217 12.270 1.00 0.00 C ATOM 939 O GLY A 58 7.437 -13.299 13.475 1.00 0.00 O ATOM 0 H GLY A 58 8.046 -14.672 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.153 -14.764 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.779 -13.161 11.876 1.00 0.00 H new ATOM 943 N GLY A 59 6.868 -12.604 11.411 1.00 0.00 N ATOM 944 CA GLY A 59 5.634 -11.988 11.865 1.00 0.00 C ATOM 945 C GLY A 59 4.819 -11.412 10.724 1.00 0.00 C ATOM 946 O GLY A 59 5.159 -11.597 9.555 1.00 0.00 O ATOM 0 H GLY A 59 7.045 -12.523 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.036 -12.728 12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.867 -11.196 12.577 1.00 0.00 H new ATOM 950 N GLU A 60 3.743 -10.713 11.064 1.00 0.00 N ATOM 951 CA GLU A 60 2.876 -10.105 10.060 1.00 0.00 C ATOM 952 C GLU A 60 2.413 -8.724 10.509 1.00 0.00 C ATOM 953 O GLU A 60 1.982 -8.543 11.648 1.00 0.00 O ATOM 954 CB GLU A 60 1.665 -11.001 9.791 1.00 0.00 C ATOM 955 CG GLU A 60 1.989 -12.228 8.954 1.00 0.00 C ATOM 956 CD GLU A 60 0.996 -13.354 9.164 1.00 0.00 C ATOM 957 OE1 GLU A 60 -0.166 -13.063 9.517 1.00 0.00 O ATOM 958 OE2 GLU A 60 1.381 -14.527 8.975 1.00 0.00 O ATOM 0 H GLU A 60 3.449 -10.553 12.027 1.00 0.00 H new ATOM 0 HA GLU A 60 3.448 -9.995 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.243 -11.322 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.898 -10.417 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.002 -11.951 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.990 -12.580 9.203 1.00 0.00 H new ATOM 965 N ILE A 61 2.506 -7.750 9.611 1.00 0.00 N ATOM 966 CA ILE A 61 2.099 -6.385 9.922 1.00 0.00 C ATOM 967 C ILE A 61 0.731 -6.074 9.323 1.00 0.00 C ATOM 968 O ILE A 61 0.450 -6.424 8.176 1.00 0.00 O ATOM 969 CB ILE A 61 3.120 -5.356 9.398 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.536 -5.740 9.838 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.767 -3.961 9.890 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.564 -5.612 8.735 1.00 0.00 C ATOM 0 H ILE A 61 2.859 -7.880 8.663 1.00 0.00 H new ATOM 0 HA ILE A 61 2.048 -6.311 11.008 1.00 0.00 H new ATOM 0 HB ILE A 61 3.086 -5.355 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.832 -5.108 10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.529 -6.768 10.201 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.497 -3.246 9.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.774 -3.689 9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.776 -3.946 10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.544 -5.900 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.291 -6.265 7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.598 -4.579 8.388 1.00 0.00 H new ATOM 984 N HIS A 62 -0.112 -5.405 10.103 1.00 0.00 N ATOM 985 CA HIS A 62 -1.446 -5.036 9.648 1.00 0.00 C ATOM 986 C HIS A 62 -1.745 -3.577 9.986 1.00 0.00 C ATOM 987 O HIS A 62 -1.884 -3.219 11.154 1.00 0.00 O ATOM 988 CB HIS A 62 -2.498 -5.946 10.287 1.00 0.00 C ATOM 989 CG HIS A 62 -3.890 -5.686 9.805 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.984 -5.648 10.644 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.365 -5.449 8.559 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.071 -5.399 9.936 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.724 -5.275 8.669 1.00 0.00 N ATOM 0 H HIS A 62 0.106 -5.107 11.054 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.483 -5.158 8.566 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.240 -6.985 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.468 -5.818 11.369 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.785 -5.405 7.649 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.074 -5.312 10.328 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.361 -5.081 7.896 1.00 0.00 H new ATOM 1002 N ALA A 63 -1.845 -2.743 8.959 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.129 -1.326 9.155 1.00 0.00 C ATOM 1004 C ALA A 63 -3.407 -0.919 8.429 1.00 0.00 C ATOM 1005 O ALA A 63 -3.814 -1.566 7.466 1.00 0.00 O ATOM 1006 CB ALA A 63 -0.955 -0.482 8.681 1.00 0.00 C ATOM 0 H ALA A 63 -1.734 -3.021 7.984 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.277 -1.153 10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.181 0.573 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.063 -0.748 9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.779 -0.666 7.621 1.00 0.00 H new ATOM 1012 N SER A 64 -4.031 0.159 8.891 1.00 0.00 N ATOM 1013 CA SER A 64 -5.257 0.657 8.279 1.00 0.00 C ATOM 1014 C SER A 64 -5.244 2.182 8.246 1.00 0.00 C ATOM 1015 O SER A 64 -4.678 2.823 9.130 1.00 0.00 O ATOM 1016 CB SER A 64 -6.480 0.160 9.051 1.00 0.00 C ATOM 1017 OG SER A 64 -7.546 -0.151 8.171 1.00 0.00 O ATOM 0 H SER A 64 -3.707 0.706 9.689 1.00 0.00 H new ATOM 0 HA SER A 64 -5.313 0.280 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.214 -0.723 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.801 0.923 9.761 1.00 0.00 H new ATOM 0 HG SER A 64 -7.396 0.287 7.307 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.862 2.760 7.224 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.905 4.211 7.094 1.00 0.00 C ATOM 1025 C ALA A 65 -7.178 4.676 6.396 1.00 0.00 C ATOM 1026 O ALA A 65 -7.928 3.874 5.841 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.678 4.705 6.340 1.00 0.00 C ATOM 0 H ALA A 65 -6.337 2.251 6.478 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.905 4.636 8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.720 5.790 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.778 4.421 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.657 4.257 5.346 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.407 5.984 6.429 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.579 6.578 5.801 1.00 0.00 C ATOM 1035 C GLU A 66 -8.204 7.886 5.112 1.00 0.00 C ATOM 1036 O GLU A 66 -7.165 8.476 5.408 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.670 6.831 6.844 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.152 7.449 8.131 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.070 8.529 8.670 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.221 8.204 9.031 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.637 9.699 8.733 1.00 0.00 O ATOM 0 H GLU A 66 -6.792 6.656 6.887 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.961 5.883 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.426 7.488 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.163 5.887 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.035 6.669 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.163 7.873 7.954 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.048 8.335 4.190 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.771 9.570 3.481 1.00 0.00 C ATOM 1050 C GLY A 67 -10.009 10.177 2.853 1.00 0.00 C ATOM 1051 O GLY A 67 -11.071 9.555 2.824 1.00 0.00 O ATOM 0 H GLY A 67 -9.915 7.869 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.330 10.289 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.031 9.379 2.704 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.870 11.401 2.354 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.982 12.105 1.724 1.00 0.00 C ATOM 1057 C GLN A 68 -11.438 11.405 0.443 1.00 0.00 C ATOM 1058 O GLN A 68 -12.496 11.722 -0.099 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.577 13.548 1.413 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.680 14.363 0.756 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.915 14.482 1.626 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.131 15.501 2.280 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -13.733 13.436 1.639 1.00 0.00 N ATOM 0 H GLN A 68 -8.996 11.927 2.374 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.818 12.102 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.276 14.039 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.705 13.539 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.303 15.360 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.952 13.901 -0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.515 12.611 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.580 13.458 2.207 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.641 10.451 -0.037 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.980 9.716 -1.251 1.00 0.00 C ATOM 1074 C ASP A 69 -10.271 8.365 -1.278 1.00 0.00 C ATOM 1075 O ASP A 69 -9.480 8.051 -0.388 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.603 10.531 -2.492 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.228 11.160 -2.377 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.992 11.903 -1.402 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.386 10.912 -3.266 1.00 0.00 O ATOM 0 H ASP A 69 -9.760 10.171 0.395 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.056 9.544 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.631 9.885 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.345 11.314 -2.648 1.00 0.00 H new ATOM 1084 N MET A 70 -10.559 7.568 -2.302 1.00 0.00 N ATOM 1085 CA MET A 70 -9.946 6.251 -2.441 1.00 0.00 C ATOM 1086 C MET A 70 -8.436 6.359 -2.651 1.00 0.00 C ATOM 1087 O MET A 70 -7.712 5.376 -2.496 1.00 0.00 O ATOM 1088 CB MET A 70 -10.579 5.490 -3.607 1.00 0.00 C ATOM 1089 CG MET A 70 -10.228 4.011 -3.629 1.00 0.00 C ATOM 1090 SD MET A 70 -11.625 2.954 -3.199 1.00 0.00 S ATOM 1091 CE MET A 70 -11.477 1.677 -4.446 1.00 0.00 C ATOM 0 H MET A 70 -11.212 7.810 -3.047 1.00 0.00 H new ATOM 0 HA MET A 70 -10.123 5.704 -1.515 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.662 5.597 -3.555 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.258 5.945 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.867 3.743 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.410 3.826 -2.932 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.169 0.865 -4.220 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.715 2.094 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.457 1.293 -4.454 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.967 7.553 -3.002 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.544 7.776 -3.228 1.00 0.00 C ATOM 1103 C TYR A 71 -5.843 8.173 -1.931 1.00 0.00 C ATOM 1104 O TYR A 71 -4.730 7.725 -1.654 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.340 8.864 -4.288 1.00 0.00 C ATOM 1106 CG TYR A 71 -5.876 8.330 -5.624 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.531 7.268 -6.235 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -4.785 8.891 -6.276 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.111 6.778 -7.457 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -4.359 8.408 -7.499 1.00 0.00 C ATOM 1111 CZ TYR A 71 -5.025 7.352 -8.085 1.00 0.00 C ATOM 1112 OH TYR A 71 -4.604 6.866 -9.303 1.00 0.00 O ATOM 0 H TYR A 71 -8.551 8.379 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.106 6.844 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.277 9.403 -4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.609 9.584 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.383 6.818 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.261 9.718 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.630 5.950 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.509 8.855 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.973 5.969 -9.442 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.503 9.012 -1.140 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.944 9.468 0.126 1.00 0.00 C ATOM 1124 C ALA A 72 -5.730 8.300 1.082 1.00 0.00 C ATOM 1125 O ALA A 72 -4.674 8.178 1.704 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.854 10.510 0.758 1.00 0.00 C ATOM 0 H ALA A 72 -7.426 9.390 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.974 9.922 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.425 10.842 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.954 11.362 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.836 10.073 0.939 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.740 7.443 1.199 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.667 6.283 2.081 1.00 0.00 C ATOM 1134 C ALA A 73 -5.423 5.446 1.797 1.00 0.00 C ATOM 1135 O ALA A 73 -4.782 4.939 2.718 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.922 5.434 1.938 1.00 0.00 C ATOM 0 H ALA A 73 -7.621 7.531 0.692 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.598 6.644 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.855 4.572 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.796 6.029 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.015 5.093 0.907 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.087 5.304 0.519 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.920 4.528 0.117 1.00 0.00 C ATOM 1144 C ILE A 74 -2.628 5.256 0.473 1.00 0.00 C ATOM 1145 O ILE A 74 -1.612 4.626 0.769 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.936 4.234 -1.397 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.276 3.619 -1.805 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.785 3.311 -1.773 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.528 2.257 -1.192 1.00 0.00 C ATOM 0 H ILE A 74 -5.607 5.716 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.962 3.585 0.661 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.810 5.174 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.080 4.294 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.311 3.532 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.812 3.114 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.839 3.786 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.880 2.371 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.496 1.882 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.744 1.567 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.526 2.341 -0.105 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.670 6.582 0.441 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.499 7.391 0.762 1.00 0.00 C ATOM 1163 C ASP A 75 -1.100 7.214 2.225 1.00 0.00 C ATOM 1164 O ASP A 75 0.030 6.827 2.530 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.776 8.867 0.472 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.583 9.569 -0.147 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.034 8.990 -1.066 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.267 10.695 0.287 1.00 0.00 O ATOM 0 H ASP A 75 -3.501 7.120 0.196 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.673 7.054 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.631 8.948 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.050 9.371 1.399 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.036 7.493 3.126 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.764 7.354 4.545 1.00 0.00 C ATOM 1175 C GLY A 76 -1.549 5.911 4.953 1.00 0.00 C ATOM 1176 O GLY A 76 -0.802 5.627 5.891 1.00 0.00 O ATOM 0 H GLY A 76 -2.978 7.813 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.879 7.937 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.596 7.770 5.114 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.201 4.996 4.243 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.078 3.573 4.532 1.00 0.00 C ATOM 1182 C LEU A 77 -0.709 3.051 4.108 1.00 0.00 C ATOM 1183 O LEU A 77 -0.017 2.397 4.884 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.183 2.791 3.817 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.071 1.265 3.910 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.849 0.831 5.352 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.316 0.603 3.338 1.00 0.00 C ATOM 0 H LEU A 77 -2.820 5.216 3.463 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.182 3.432 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.145 3.094 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.184 3.075 2.765 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.211 0.947 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.772 -0.255 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.928 1.276 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.688 1.161 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.219 -0.480 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.192 0.928 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.430 0.886 2.292 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.320 3.361 2.878 1.00 0.00 N ATOM 1200 CA ILE A 78 0.971 2.931 2.356 1.00 0.00 C ATOM 1201 C ILE A 78 2.116 3.628 3.092 1.00 0.00 C ATOM 1202 O ILE A 78 3.261 3.176 3.048 1.00 0.00 O ATOM 1203 CB ILE A 78 1.084 3.206 0.841 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.069 2.357 0.076 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.497 2.927 0.340 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.334 0.870 0.173 1.00 0.00 C ATOM 0 H ILE A 78 -0.879 3.908 2.224 1.00 0.00 H new ATOM 0 HA ILE A 78 1.045 1.856 2.520 1.00 0.00 H new ATOM 0 HB ILE A 78 0.866 4.260 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.930 2.566 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.077 2.652 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.550 3.128 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.203 3.570 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.749 1.883 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.424 0.328 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.320 0.649 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.297 0.561 1.218 1.00 0.00 H new ATOM 1218 N ASP A 79 1.795 4.715 3.788 1.00 0.00 N ATOM 1219 CA ASP A 79 2.797 5.448 4.548 1.00 0.00 C ATOM 1220 C ASP A 79 3.149 4.680 5.815 1.00 0.00 C ATOM 1221 O ASP A 79 4.318 4.402 6.085 1.00 0.00 O ATOM 1222 CB ASP A 79 2.285 6.848 4.899 1.00 0.00 C ATOM 1223 CG ASP A 79 3.176 7.944 4.346 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.414 7.788 4.403 1.00 0.00 O ATOM 1225 OD2 ASP A 79 2.636 8.959 3.856 1.00 0.00 O ATOM 0 H ASP A 79 0.854 5.104 3.840 1.00 0.00 H new ATOM 0 HA ASP A 79 3.694 5.554 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.275 6.972 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.221 6.948 5.983 1.00 0.00 H new ATOM 1230 N LYS A 80 2.122 4.332 6.585 1.00 0.00 N ATOM 1231 CA LYS A 80 2.311 3.583 7.820 1.00 0.00 C ATOM 1232 C LYS A 80 2.985 2.245 7.539 1.00 0.00 C ATOM 1233 O LYS A 80 3.826 1.788 8.312 1.00 0.00 O ATOM 1234 CB LYS A 80 0.967 3.354 8.514 1.00 0.00 C ATOM 1235 CG LYS A 80 0.468 4.560 9.295 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.770 4.222 10.113 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.871 5.252 9.915 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.976 6.183 11.071 1.00 0.00 N ATOM 0 H LYS A 80 1.150 4.558 6.374 1.00 0.00 H new ATOM 0 HA LYS A 80 2.955 4.167 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.223 3.084 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.058 2.506 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.256 4.917 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.239 5.372 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.138 3.236 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.506 4.170 11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.675 5.822 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.824 4.742 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.738 6.869 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.188 5.643 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.076 6.689 11.192 1.00 0.00 H new ATOM 1252 N LEU A 81 2.611 1.622 6.424 1.00 0.00 N ATOM 1253 CA LEU A 81 3.181 0.337 6.037 1.00 0.00 C ATOM 1254 C LEU A 81 4.697 0.430 5.890 1.00 0.00 C ATOM 1255 O LEU A 81 5.433 -0.359 6.483 1.00 0.00 O ATOM 1256 CB LEU A 81 2.562 -0.152 4.722 1.00 0.00 C ATOM 1257 CG LEU A 81 1.274 -0.971 4.859 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.180 -0.175 5.552 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.803 -1.442 3.490 1.00 0.00 C ATOM 0 H LEU A 81 1.916 1.987 5.773 1.00 0.00 H new ATOM 0 HA LEU A 81 2.953 -0.378 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.355 0.715 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.301 -0.756 4.196 1.00 0.00 H new ATOM 0 HG LEU A 81 1.493 -1.841 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.719 -0.786 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.514 0.111 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.041 0.721 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.113 -2.023 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.610 -0.578 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.574 -2.063 3.034 1.00 0.00 H new ATOM 1271 N ALA A 82 5.158 1.397 5.103 1.00 0.00 N ATOM 1272 CA ALA A 82 6.591 1.582 4.887 1.00 0.00 C ATOM 1273 C ALA A 82 7.335 1.690 6.216 1.00 0.00 C ATOM 1274 O ALA A 82 8.218 0.884 6.512 1.00 0.00 O ATOM 1275 CB ALA A 82 6.845 2.815 4.031 1.00 0.00 C ATOM 0 H ALA A 82 4.565 2.062 4.606 1.00 0.00 H new ATOM 0 HA ALA A 82 6.970 0.707 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.917 2.938 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.354 2.695 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.446 3.696 4.534 1.00 0.00 H new ATOM 1281 N ARG A 83 6.974 2.693 7.010 1.00 0.00 N ATOM 1282 CA ARG A 83 7.608 2.914 8.309 1.00 0.00 C ATOM 1283 C ARG A 83 7.680 1.619 9.117 1.00 0.00 C ATOM 1284 O ARG A 83 8.637 1.389 9.857 1.00 0.00 O ATOM 1285 CB ARG A 83 6.841 3.977 9.099 1.00 0.00 C ATOM 1286 CG ARG A 83 6.595 5.256 8.317 1.00 0.00 C ATOM 1287 CD ARG A 83 7.381 6.425 8.892 1.00 0.00 C ATOM 1288 NE ARG A 83 8.824 6.213 8.798 1.00 0.00 N ATOM 1289 CZ ARG A 83 9.724 7.188 8.893 1.00 0.00 C ATOM 1290 NH1 ARG A 83 9.336 8.442 9.087 1.00 0.00 N ATOM 1291 NH2 ARG A 83 11.016 6.908 8.797 1.00 0.00 N ATOM 0 H ARG A 83 6.245 3.368 6.778 1.00 0.00 H new ATOM 0 HA ARG A 83 8.625 3.262 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.883 3.563 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.398 4.216 10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.876 5.105 7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.531 5.491 8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.113 7.338 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.103 6.570 9.936 1.00 0.00 H new ATOM 0 HE ARG A 83 9.161 5.262 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.343 8.663 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.031 9.185 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.320 5.945 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.707 7.655 8.870 1.00 0.00 H new ATOM 1305 N GLN A 84 6.665 0.772 8.966 1.00 0.00 N ATOM 1306 CA GLN A 84 6.618 -0.499 9.680 1.00 0.00 C ATOM 1307 C GLN A 84 7.597 -1.499 9.075 1.00 0.00 C ATOM 1308 O GLN A 84 8.350 -2.158 9.793 1.00 0.00 O ATOM 1309 CB GLN A 84 5.200 -1.073 9.649 1.00 0.00 C ATOM 1310 CG GLN A 84 4.395 -0.775 10.904 1.00 0.00 C ATOM 1311 CD GLN A 84 4.987 -1.424 12.141 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.226 -2.630 12.168 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.227 -0.621 13.172 1.00 0.00 N ATOM 0 H GLN A 84 5.865 0.943 8.356 1.00 0.00 H new ATOM 0 HA GLN A 84 6.906 -0.317 10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.672 -0.669 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.257 -2.153 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.345 0.304 11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.372 -1.126 10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.013 0.374 13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.626 -0.999 14.031 1.00 0.00 H new ATOM 1322 N LEU A 85 7.586 -1.603 7.750 1.00 0.00 N ATOM 1323 CA LEU A 85 8.474 -2.520 7.045 1.00 0.00 C ATOM 1324 C LEU A 85 9.935 -2.225 7.373 1.00 0.00 C ATOM 1325 O LEU A 85 10.717 -3.137 7.639 1.00 0.00 O ATOM 1326 CB LEU A 85 8.249 -2.425 5.534 1.00 0.00 C ATOM 1327 CG LEU A 85 7.139 -3.319 4.969 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.615 -4.761 4.871 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.876 -3.229 5.817 1.00 0.00 C ATOM 0 H LEU A 85 6.971 -1.062 7.142 1.00 0.00 H new ATOM 0 HA LEU A 85 8.243 -3.533 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.018 -1.389 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.183 -2.674 5.030 1.00 0.00 H new ATOM 0 HG LEU A 85 6.897 -2.964 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.815 -5.382 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.482 -4.814 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.890 -5.122 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.106 -3.873 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.097 -3.550 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.520 -2.199 5.831 1.00 0.00 H new ATOM 1341 N THR A 86 10.297 -0.947 7.354 1.00 0.00 N ATOM 1342 CA THR A 86 11.666 -0.536 7.648 1.00 0.00 C ATOM 1343 C THR A 86 12.061 -0.922 9.069 1.00 0.00 C ATOM 1344 O THR A 86 13.155 -1.438 9.301 1.00 0.00 O ATOM 1345 CB THR A 86 11.816 0.975 7.458 1.00 0.00 C ATOM 1346 OG1 THR A 86 11.321 1.375 6.193 1.00 0.00 O ATOM 1347 CG2 THR A 86 13.249 1.450 7.560 1.00 0.00 C ATOM 0 H THR A 86 9.663 -0.178 7.138 1.00 0.00 H new ATOM 0 HA THR A 86 12.330 -1.053 6.955 1.00 0.00 H new ATOM 0 HB THR A 86 11.240 1.426 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.307 0.604 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.286 2.530 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.645 1.202 8.545 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.850 0.961 6.793 1.00 0.00 H new ATOM 1355 N LYS A 87 11.165 -0.668 10.019 1.00 0.00 N ATOM 1356 CA LYS A 87 11.423 -0.985 11.421 1.00 0.00 C ATOM 1357 C LYS A 87 11.869 -2.436 11.594 1.00 0.00 C ATOM 1358 O LYS A 87 12.994 -2.704 12.014 1.00 0.00 O ATOM 1359 CB LYS A 87 10.171 -0.719 12.261 1.00 0.00 C ATOM 1360 CG LYS A 87 10.284 0.510 13.149 1.00 0.00 C ATOM 1361 CD LYS A 87 9.974 0.182 14.602 1.00 0.00 C ATOM 1362 CE LYS A 87 11.213 -0.294 15.343 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.914 -1.436 16.250 1.00 0.00 N ATOM 0 H LYS A 87 10.254 -0.244 9.844 1.00 0.00 H new ATOM 0 HA LYS A 87 12.233 -0.341 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.316 -0.599 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.970 -1.590 12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.291 0.922 13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.598 1.280 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.570 1.065 15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.204 -0.589 14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.974 -0.593 14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.628 0.530 15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.785 -1.730 16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.206 -1.144 16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.542 -2.232 15.694 1.00 0.00 H new ATOM 1377 N HIS A 88 10.977 -3.368 11.274 1.00 0.00 N ATOM 1378 CA HIS A 88 11.282 -4.790 11.404 1.00 0.00 C ATOM 1379 C HIS A 88 12.387 -5.208 10.435 1.00 0.00 C ATOM 1380 O HIS A 88 13.134 -6.151 10.702 1.00 0.00 O ATOM 1381 CB HIS A 88 10.018 -5.635 11.185 1.00 0.00 C ATOM 1382 CG HIS A 88 9.707 -5.933 9.749 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.565 -5.487 9.119 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.389 -6.649 8.822 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.557 -5.917 7.869 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.652 -6.623 7.664 1.00 0.00 N ATOM 0 H HIS A 88 10.040 -3.166 10.924 1.00 0.00 H new ATOM 0 HA HIS A 88 11.643 -4.966 12.417 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.129 -6.577 11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.168 -5.115 11.627 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.336 -7.147 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.785 -5.723 7.139 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.910 -7.076 6.787 1.00 0.00 H new ATOM 1395 N LYS A 89 12.489 -4.503 9.313 1.00 0.00 N ATOM 1396 CA LYS A 89 13.506 -4.806 8.311 1.00 0.00 C ATOM 1397 C LYS A 89 14.907 -4.522 8.846 1.00 0.00 C ATOM 1398 O LYS A 89 15.894 -5.056 8.339 1.00 0.00 O ATOM 1399 CB LYS A 89 13.257 -3.995 7.036 1.00 0.00 C ATOM 1400 CG LYS A 89 14.312 -4.204 5.961 1.00 0.00 C ATOM 1401 CD LYS A 89 15.090 -2.929 5.680 1.00 0.00 C ATOM 1402 CE LYS A 89 16.433 -2.926 6.392 1.00 0.00 C ATOM 1403 NZ LYS A 89 17.262 -4.107 6.020 1.00 0.00 N ATOM 0 H LYS A 89 11.881 -3.719 9.074 1.00 0.00 H new ATOM 0 HA LYS A 89 13.439 -5.868 8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.281 -4.262 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.217 -2.936 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.001 -4.989 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.834 -4.548 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.246 -2.826 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.505 -2.067 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.973 -2.012 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.272 -2.920 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.268 -3.846 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.089 -4.879 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 17.008 -4.421 5.062 1.00 0.00 H new ATOM 1417 N ASP A 90 14.993 -3.680 9.872 1.00 0.00 N ATOM 1418 CA ASP A 90 16.277 -3.333 10.471 1.00 0.00 C ATOM 1419 C ASP A 90 16.826 -4.496 11.292 1.00 0.00 C ATOM 1420 O ASP A 90 18.038 -4.678 11.397 1.00 0.00 O ATOM 1421 CB ASP A 90 16.134 -2.093 11.353 1.00 0.00 C ATOM 1422 CG ASP A 90 17.475 -1.507 11.749 1.00 0.00 C ATOM 1423 OD1 ASP A 90 18.152 -2.103 12.612 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.849 -0.451 11.194 1.00 0.00 O ATOM 0 H ASP A 90 14.189 -3.226 10.305 1.00 0.00 H new ATOM 0 HA ASP A 90 16.979 -3.117 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.553 -1.338 10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.574 -2.352 12.252 1.00 0.00 H new ATOM 1429 N LYS A 91 15.922 -5.279 11.874 1.00 0.00 N ATOM 1430 CA LYS A 91 16.310 -6.428 12.691 1.00 0.00 C ATOM 1431 C LYS A 91 17.330 -7.303 11.965 1.00 0.00 C ATOM 1432 O LYS A 91 18.141 -7.980 12.597 1.00 0.00 O ATOM 1433 CB LYS A 91 15.078 -7.257 13.054 1.00 0.00 C ATOM 1434 CG LYS A 91 14.379 -6.786 14.319 1.00 0.00 C ATOM 1435 CD LYS A 91 12.874 -6.981 14.231 1.00 0.00 C ATOM 1436 CE LYS A 91 12.289 -7.415 15.565 1.00 0.00 C ATOM 1437 NZ LYS A 91 10.970 -8.089 15.400 1.00 0.00 N ATOM 0 H LYS A 91 14.915 -5.140 11.796 1.00 0.00 H new ATOM 0 HA LYS A 91 16.772 -6.051 13.603 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.371 -7.225 12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.375 -8.298 13.179 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.768 -7.335 15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.601 -5.732 14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.404 -6.051 13.912 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.647 -7.730 13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.983 -8.092 16.063 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.174 -6.545 16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.605 -8.370 16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.300 -7.435 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.084 -8.934 14.804 1.00 0.00 H new ATOM 1451 N LEU A 92 17.284 -7.284 10.636 1.00 0.00 N ATOM 1452 CA LEU A 92 18.205 -8.076 9.830 1.00 0.00 C ATOM 1453 C LEU A 92 19.456 -7.272 9.486 1.00 0.00 C ATOM 1454 O LEU A 92 19.801 -7.109 8.314 1.00 0.00 O ATOM 1455 CB LEU A 92 17.515 -8.547 8.547 1.00 0.00 C ATOM 1456 CG LEU A 92 16.156 -9.218 8.752 1.00 0.00 C ATOM 1457 CD1 LEU A 92 15.059 -8.171 8.878 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.855 -10.170 7.606 1.00 0.00 C ATOM 0 H LEU A 92 16.620 -6.730 10.096 1.00 0.00 H new ATOM 0 HA LEU A 92 18.505 -8.947 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.384 -7.689 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 18.175 -9.246 8.033 1.00 0.00 H new ATOM 0 HG LEU A 92 16.191 -9.793 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.099 -8.666 9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.268 -7.526 9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.024 -7.570 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.884 -10.639 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.838 -9.616 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.626 -10.939 7.560 1.00 0.00 H new ATOM 1470 N LYS A 93 20.135 -6.774 10.514 1.00 0.00 N ATOM 1471 CA LYS A 93 21.348 -5.988 10.319 1.00 0.00 C ATOM 1472 C LYS A 93 22.583 -6.788 10.715 1.00 0.00 C ATOM 1473 O LYS A 93 22.503 -7.992 10.967 1.00 0.00 O ATOM 1474 CB LYS A 93 21.280 -4.694 11.135 1.00 0.00 C ATOM 1475 CG LYS A 93 21.728 -3.463 10.364 1.00 0.00 C ATOM 1476 CD LYS A 93 21.142 -2.190 10.953 1.00 0.00 C ATOM 1477 CE LYS A 93 22.208 -1.126 11.158 1.00 0.00 C ATOM 1478 NZ LYS A 93 21.659 0.091 11.819 1.00 0.00 N ATOM 0 H LYS A 93 19.866 -6.901 11.490 1.00 0.00 H new ATOM 0 HA LYS A 93 21.423 -5.738 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.256 -4.544 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.902 -4.802 12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.816 -3.402 10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.424 -3.556 9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.366 -1.806 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.664 -2.416 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.017 -1.535 11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.638 -0.853 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.417 0.792 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.904 0.496 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.271 -0.164 12.750 1.00 0.00 H new ATOM 1492 N GLN A 94 23.728 -6.113 10.768 1.00 0.00 N ATOM 1493 CA GLN A 94 24.983 -6.762 11.133 1.00 0.00 C ATOM 1494 C GLN A 94 25.681 -6.000 12.255 1.00 0.00 C ATOM 1495 O GLN A 94 26.910 -5.967 12.325 1.00 0.00 O ATOM 1496 CB GLN A 94 25.903 -6.858 9.916 1.00 0.00 C ATOM 1497 CG GLN A 94 26.047 -5.548 9.157 1.00 0.00 C ATOM 1498 CD GLN A 94 27.166 -5.586 8.135 1.00 0.00 C ATOM 1499 OE1 GLN A 94 27.917 -4.623 7.984 1.00 0.00 O ATOM 1500 NE2 GLN A 94 27.281 -6.701 7.423 1.00 0.00 N ATOM 0 H GLN A 94 23.812 -5.117 10.563 1.00 0.00 H new ATOM 0 HA GLN A 94 24.756 -7.767 11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 94 26.889 -7.190 10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 94 25.518 -7.620 9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 94 25.108 -5.319 8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 94 26.234 -4.741 9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 94 26.637 -7.476 7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 94 28.014 -6.783 6.718 1.00 0.00 H new ATOM 1509 N HIS A 95 24.890 -5.387 13.129 1.00 0.00 N ATOM 1510 CA HIS A 95 25.433 -4.624 14.248 1.00 0.00 C ATOM 1511 C HIS A 95 26.287 -3.462 13.751 1.00 0.00 C ATOM 1512 O HIS A 95 27.196 -3.036 14.495 1.00 0.00 O ATOM 1513 CB HIS A 95 26.262 -5.532 15.158 1.00 0.00 C ATOM 1514 CG HIS A 95 26.037 -5.286 16.618 1.00 0.00 C ATOM 1515 ND1 HIS A 95 26.613 -4.235 17.301 1.00 0.00 N ATOM 1516 CD2 HIS A 95 25.290 -5.958 17.527 1.00 0.00 C ATOM 1517 CE1 HIS A 95 26.234 -4.273 18.566 1.00 0.00 C ATOM 1518 NE2 HIS A 95 25.431 -5.308 18.728 1.00 0.00 N ATOM 1519 OXT HIS A 95 26.042 -2.990 12.622 1.00 0.00 O ATOM 0 H HIS A 95 23.871 -5.403 13.085 1.00 0.00 H new ATOM 0 HA HIS A 95 24.597 -4.218 14.818 1.00 0.00 H new ATOM 0 HB2 HIS A 95 26.025 -6.572 14.933 1.00 0.00 H new ATOM 0 HB3 HIS A 95 27.319 -5.390 14.933 1.00 0.00 H new ATOM 0 HD2 HIS A 95 24.695 -6.840 17.341 1.00 0.00 H new ATOM 0 HE1 HIS A 95 26.531 -3.576 19.336 1.00 0.00 H new ATOM 0 HE2 HIS A 95 24.987 -5.581 19.605 1.00 0.00 H new TER 1528 HIS A 95