USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 72 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.000429 USER MOD Single : A 4 THR OG1 : rot 122:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.397 K(o=-0.4,f=-4.1!) USER MOD Single : A 11 GLN : amide:sc=-0.000934 K(o=-0.00093,f=-1.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -159:sc= 0.0622 USER MOD Single : A 33 HIS : no HE2:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 47 GLN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 56 HIS : no HD1:sc= 0.11 K(o=0.11,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-6.8!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 70 SER OG : rot 30:sc= 0.462 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.19) USER MOD Single : A 97 LYS NZ :NH3+ 129:sc= 1.24 (180deg=0.0841) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.739 -6.927 -5.911 1.00 0.00 N ATOM 12 CA LEU A 2 9.687 -6.407 -6.791 1.00 0.00 C ATOM 13 C LEU A 2 8.879 -7.528 -7.462 1.00 0.00 C ATOM 14 O LEU A 2 9.373 -8.145 -8.398 1.00 0.00 O ATOM 15 CB LEU A 2 10.322 -5.497 -7.862 1.00 0.00 C ATOM 16 CG LEU A 2 11.033 -4.239 -7.331 1.00 0.00 C ATOM 17 CD1 LEU A 2 11.721 -3.509 -8.489 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.045 -3.318 -6.608 1.00 0.00 C ATOM 0 HA LEU A 2 8.990 -5.836 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.041 -6.085 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.542 -5.185 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 2 11.790 -4.539 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.224 -2.619 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.454 -4.170 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.976 -3.218 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.571 -2.436 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.260 -3.011 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.600 -3.850 -5.767 1.00 0.00 H new ATOM 30 N THR A 3 7.664 -7.806 -6.981 1.00 0.00 N ATOM 31 CA THR A 3 6.758 -8.845 -7.484 1.00 0.00 C ATOM 32 C THR A 3 5.308 -8.362 -7.283 1.00 0.00 C ATOM 33 O THR A 3 5.099 -7.354 -6.597 1.00 0.00 O ATOM 34 CB THR A 3 7.088 -10.154 -6.720 1.00 0.00 C ATOM 35 OG1 THR A 3 8.430 -10.537 -6.954 1.00 0.00 O ATOM 36 CG2 THR A 3 6.227 -11.368 -7.077 1.00 0.00 C ATOM 0 H THR A 3 7.267 -7.291 -6.196 1.00 0.00 H new ATOM 0 HA THR A 3 6.880 -9.041 -8.549 1.00 0.00 H new ATOM 0 HB THR A 3 6.886 -9.897 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.624 -11.363 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.544 -12.226 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.181 -11.147 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.342 -11.597 -8.137 1.00 0.00 H new ATOM 44 N THR A 4 4.307 -9.033 -7.868 1.00 0.00 N ATOM 45 CA THR A 4 2.890 -8.679 -7.743 1.00 0.00 C ATOM 46 C THR A 4 2.113 -9.855 -7.131 1.00 0.00 C ATOM 47 O THR A 4 2.640 -10.968 -7.041 1.00 0.00 O ATOM 48 CB THR A 4 2.302 -8.223 -9.100 1.00 0.00 C ATOM 49 OG1 THR A 4 2.169 -9.298 -10.004 1.00 0.00 O ATOM 50 CG2 THR A 4 3.148 -7.161 -9.812 1.00 0.00 C ATOM 0 H THR A 4 4.465 -9.854 -8.453 1.00 0.00 H new ATOM 0 HA THR A 4 2.793 -7.828 -7.069 1.00 0.00 H new ATOM 0 HB THR A 4 1.332 -7.802 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.234 -9.374 -10.286 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.674 -6.891 -10.755 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.229 -6.277 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.143 -7.560 -10.007 1.00 0.00 H new ATOM 58 N ILE A 5 0.882 -9.610 -6.676 1.00 0.00 N ATOM 59 CA ILE A 5 -0.015 -10.597 -6.076 1.00 0.00 C ATOM 60 C ILE A 5 -1.465 -10.257 -6.462 1.00 0.00 C ATOM 61 O ILE A 5 -1.722 -9.200 -7.052 1.00 0.00 O ATOM 62 CB ILE A 5 0.182 -10.727 -4.541 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.387 -9.571 -3.684 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.635 -11.040 -4.137 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.128 -8.168 -4.011 1.00 0.00 C ATOM 0 H ILE A 5 0.467 -8.679 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 5 0.230 -11.582 -6.473 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.437 -11.592 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.472 -9.570 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.167 -9.781 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.702 -11.118 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.943 -11.983 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.290 -10.241 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.342 -7.444 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.209 -8.137 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.116 -7.923 -5.045 1.00 0.00 H new ATOM 77 N SER A 6 -2.409 -11.148 -6.154 1.00 0.00 N ATOM 78 CA SER A 6 -3.831 -10.971 -6.441 1.00 0.00 C ATOM 79 C SER A 6 -4.433 -9.868 -5.559 1.00 0.00 C ATOM 80 O SER A 6 -3.895 -9.593 -4.484 1.00 0.00 O ATOM 81 CB SER A 6 -4.563 -12.294 -6.191 1.00 0.00 C ATOM 82 OG SER A 6 -4.004 -13.325 -6.977 1.00 0.00 O ATOM 0 H SER A 6 -2.200 -12.031 -5.688 1.00 0.00 H new ATOM 0 HA SER A 6 -3.946 -10.674 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.499 -12.558 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.621 -12.181 -6.428 1.00 0.00 H new ATOM 0 HG SER A 6 -4.481 -14.163 -6.804 1.00 0.00 H new ATOM 88 N PRO A 7 -5.602 -9.304 -5.920 1.00 0.00 N ATOM 89 CA PRO A 7 -6.243 -8.246 -5.152 1.00 0.00 C ATOM 90 C PRO A 7 -6.414 -8.537 -3.652 1.00 0.00 C ATOM 91 O PRO A 7 -6.238 -7.610 -2.860 1.00 0.00 O ATOM 92 CB PRO A 7 -7.566 -7.924 -5.863 1.00 0.00 C ATOM 93 CG PRO A 7 -7.757 -9.043 -6.884 1.00 0.00 C ATOM 94 CD PRO A 7 -6.338 -9.529 -7.154 1.00 0.00 C ATOM 0 HA PRO A 7 -5.587 -7.376 -5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.395 -7.891 -5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.524 -6.950 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.386 -9.841 -6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.236 -8.679 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.331 -10.584 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.888 -8.983 -7.983 1.00 0.00 H new ATOM 102 N HIS A 8 -6.747 -9.769 -3.243 1.00 0.00 N ATOM 103 CA HIS A 8 -6.948 -10.107 -1.828 1.00 0.00 C ATOM 104 C HIS A 8 -5.684 -10.655 -1.148 1.00 0.00 C ATOM 105 O HIS A 8 -5.567 -10.584 0.079 1.00 0.00 O ATOM 106 CB HIS A 8 -8.092 -11.126 -1.730 1.00 0.00 C ATOM 107 CG HIS A 8 -8.743 -11.266 -0.369 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.098 -11.264 0.844 1.00 0.00 N ATOM 109 CD2 HIS A 8 -10.072 -11.480 -0.119 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.009 -11.450 1.808 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.235 -11.586 1.271 1.00 0.00 N ATOM 0 H HIS A 8 -6.884 -10.554 -3.879 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.197 -9.188 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.861 -10.850 -2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.709 -12.102 -2.030 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.095 -11.142 0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.855 -11.554 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.791 -11.486 2.865 1.00 0.00 H new ATOM 119 N ASP A 9 -4.727 -11.184 -1.916 1.00 0.00 N ATOM 120 CA ASP A 9 -3.479 -11.753 -1.378 1.00 0.00 C ATOM 121 C ASP A 9 -2.762 -10.764 -0.464 1.00 0.00 C ATOM 122 O ASP A 9 -2.158 -11.166 0.526 1.00 0.00 O ATOM 123 CB ASP A 9 -2.508 -12.180 -2.486 1.00 0.00 C ATOM 124 CG ASP A 9 -2.542 -13.675 -2.772 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.970 -14.051 -3.884 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.142 -14.485 -1.909 1.00 0.00 O ATOM 0 H ASP A 9 -4.792 -11.232 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.777 -12.634 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.748 -11.637 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.495 -11.894 -2.202 1.00 0.00 H new ATOM 131 N ALA A 10 -2.835 -9.469 -0.776 1.00 0.00 N ATOM 132 CA ALA A 10 -2.212 -8.429 0.026 1.00 0.00 C ATOM 133 C ALA A 10 -2.693 -8.523 1.478 1.00 0.00 C ATOM 134 O ALA A 10 -1.871 -8.566 2.395 1.00 0.00 O ATOM 135 CB ALA A 10 -2.558 -7.069 -0.572 1.00 0.00 C ATOM 0 H ALA A 10 -3.330 -9.117 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.130 -8.557 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.095 -6.282 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.187 -7.016 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.640 -6.936 -0.571 1.00 0.00 H new ATOM 141 N GLN A 11 -4.016 -8.555 1.680 1.00 0.00 N ATOM 142 CA GLN A 11 -4.665 -8.641 2.978 1.00 0.00 C ATOM 143 C GLN A 11 -4.174 -9.867 3.736 1.00 0.00 C ATOM 144 O GLN A 11 -3.788 -9.761 4.896 1.00 0.00 O ATOM 145 CB GLN A 11 -6.180 -8.661 2.766 1.00 0.00 C ATOM 146 CG GLN A 11 -6.937 -8.166 4.004 1.00 0.00 C ATOM 147 CD GLN A 11 -7.467 -9.275 4.921 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.034 -10.425 4.896 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.432 -8.960 5.769 1.00 0.00 N ATOM 0 H GLN A 11 -4.683 -8.520 0.909 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.412 -7.774 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.435 -8.036 1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.500 -9.675 2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.276 -7.521 4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.776 -7.552 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.797 -8.008 5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.811 -9.669 6.396 1.00 0.00 H new ATOM 158 N GLU A 12 -4.165 -11.010 3.057 1.00 0.00 N ATOM 159 CA GLU A 12 -3.717 -12.288 3.585 1.00 0.00 C ATOM 160 C GLU A 12 -2.279 -12.173 4.070 1.00 0.00 C ATOM 161 O GLU A 12 -1.933 -12.738 5.101 1.00 0.00 O ATOM 162 CB GLU A 12 -3.859 -13.328 2.466 1.00 0.00 C ATOM 163 CG GLU A 12 -3.803 -14.759 2.988 1.00 0.00 C ATOM 164 CD GLU A 12 -4.071 -15.772 1.875 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.120 -16.245 1.214 1.00 0.00 O ATOM 166 OE2 GLU A 12 -5.238 -16.191 1.703 1.00 0.00 O ATOM 0 H GLU A 12 -4.482 -11.071 2.089 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.319 -12.594 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.804 -13.171 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.065 -13.180 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.823 -14.949 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.538 -14.887 3.782 1.00 0.00 H new ATOM 173 N LEU A 13 -1.422 -11.424 3.383 1.00 0.00 N ATOM 174 CA LEU A 13 -0.037 -11.312 3.814 1.00 0.00 C ATOM 175 C LEU A 13 0.037 -10.411 5.028 1.00 0.00 C ATOM 176 O LEU A 13 0.731 -10.756 5.980 1.00 0.00 O ATOM 177 CB LEU A 13 0.854 -10.877 2.657 1.00 0.00 C ATOM 178 CG LEU A 13 0.868 -11.976 1.571 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.331 -11.379 0.249 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.739 -13.171 1.971 1.00 0.00 C ATOM 0 H LEU A 13 -1.657 -10.896 2.542 1.00 0.00 H new ATOM 0 HA LEU A 13 0.348 -12.284 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.489 -9.940 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.867 -10.692 3.015 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.147 -12.356 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.341 -12.155 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.649 -10.583 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.335 -10.972 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.718 -13.918 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.765 -12.837 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.355 -13.609 2.892 1.00 0.00 H new ATOM 192 N ILE A 14 -0.685 -9.288 5.038 1.00 0.00 N ATOM 193 CA ILE A 14 -0.711 -8.368 6.177 1.00 0.00 C ATOM 194 C ILE A 14 -1.170 -9.180 7.398 1.00 0.00 C ATOM 195 O ILE A 14 -0.565 -9.093 8.470 1.00 0.00 O ATOM 196 CB ILE A 14 -1.594 -7.145 5.849 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.980 -6.301 4.709 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.758 -6.214 7.053 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.059 -5.679 3.820 1.00 0.00 C ATOM 0 H ILE A 14 -1.268 -8.991 4.256 1.00 0.00 H new ATOM 0 HA ILE A 14 0.270 -7.949 6.402 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.562 -7.551 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.360 -5.512 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.327 -6.929 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.387 -5.368 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.225 -6.759 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.780 -5.851 7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.587 -5.094 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.663 -6.469 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.696 -5.031 4.421 1.00 0.00 H new ATOM 211 N ALA A 15 -2.183 -10.033 7.219 1.00 0.00 N ATOM 212 CA ALA A 15 -2.721 -10.892 8.255 1.00 0.00 C ATOM 213 C ALA A 15 -1.650 -11.865 8.752 1.00 0.00 C ATOM 214 O ALA A 15 -1.461 -12.009 9.962 1.00 0.00 O ATOM 215 CB ALA A 15 -3.920 -11.668 7.704 1.00 0.00 C ATOM 0 H ALA A 15 -2.658 -10.141 6.323 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.043 -10.276 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.325 -12.314 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.689 -10.967 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.602 -12.276 6.857 1.00 0.00 H new ATOM 221 N ARG A 16 -0.922 -12.510 7.839 1.00 0.00 N ATOM 222 CA ARG A 16 0.122 -13.478 8.171 1.00 0.00 C ATOM 223 C ARG A 16 1.359 -12.832 8.790 1.00 0.00 C ATOM 224 O ARG A 16 2.124 -13.530 9.456 1.00 0.00 O ATOM 225 CB ARG A 16 0.508 -14.262 6.915 1.00 0.00 C ATOM 226 CG ARG A 16 -0.616 -15.160 6.362 1.00 0.00 C ATOM 227 CD ARG A 16 -0.266 -15.508 4.912 1.00 0.00 C ATOM 228 NE ARG A 16 -0.880 -16.746 4.418 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.812 -17.143 3.143 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.107 -16.446 2.254 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.451 -18.242 2.775 1.00 0.00 N ATOM 0 H ARG A 16 -1.043 -12.372 6.836 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.287 -14.150 8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.811 -13.558 6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.376 -14.882 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.710 -16.066 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.575 -14.645 6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.574 -14.683 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.817 -15.594 4.824 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.385 -17.334 5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.387 -15.602 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.061 -16.756 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.987 -18.774 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.408 -18.557 1.806 1.00 0.00 H new ATOM 245 N GLY A 17 1.574 -11.531 8.589 1.00 0.00 N ATOM 246 CA GLY A 17 2.715 -10.819 9.150 1.00 0.00 C ATOM 247 C GLY A 17 3.340 -9.748 8.261 1.00 0.00 C ATOM 248 O GLY A 17 4.515 -9.449 8.472 1.00 0.00 O ATOM 0 H GLY A 17 0.957 -10.942 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.402 -10.351 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.485 -11.548 9.402 1.00 0.00 H new ATOM 252 N ALA A 18 2.635 -9.191 7.270 1.00 0.00 N ATOM 253 CA ALA A 18 3.183 -8.144 6.404 1.00 0.00 C ATOM 254 C ALA A 18 2.682 -6.752 6.840 1.00 0.00 C ATOM 255 O ALA A 18 1.984 -6.612 7.848 1.00 0.00 O ATOM 256 CB ALA A 18 2.861 -8.446 4.934 1.00 0.00 C ATOM 0 H ALA A 18 1.674 -9.452 7.047 1.00 0.00 H new ATOM 0 HA ALA A 18 4.268 -8.133 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.274 -7.660 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.300 -9.404 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.780 -8.489 4.800 1.00 0.00 H new ATOM 262 N LYS A 19 3.048 -5.698 6.103 1.00 0.00 N ATOM 263 CA LYS A 19 2.665 -4.295 6.333 1.00 0.00 C ATOM 264 C LYS A 19 2.127 -3.708 5.027 1.00 0.00 C ATOM 265 O LYS A 19 2.379 -4.260 3.958 1.00 0.00 O ATOM 266 CB LYS A 19 3.859 -3.463 6.845 1.00 0.00 C ATOM 267 CG LYS A 19 3.834 -3.104 8.341 1.00 0.00 C ATOM 268 CD LYS A 19 2.587 -2.344 8.820 1.00 0.00 C ATOM 269 CE LYS A 19 2.809 -1.673 10.184 1.00 0.00 C ATOM 270 NZ LYS A 19 3.119 -2.622 11.276 1.00 0.00 N ATOM 0 H LYS A 19 3.651 -5.803 5.287 1.00 0.00 H new ATOM 0 HA LYS A 19 1.892 -4.261 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.776 -4.014 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.906 -2.538 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.921 -4.024 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.714 -2.501 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.319 -1.587 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.746 -3.034 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.625 -0.956 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.915 -1.108 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.256 -2.097 12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.332 -3.292 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.988 -3.145 11.045 1.00 0.00 H new ATOM 284 N LEU A 20 1.467 -2.549 5.087 1.00 0.00 N ATOM 285 CA LEU A 20 0.882 -1.902 3.917 1.00 0.00 C ATOM 286 C LEU A 20 1.197 -0.411 3.876 1.00 0.00 C ATOM 287 O LEU A 20 0.847 0.318 4.812 1.00 0.00 O ATOM 288 CB LEU A 20 -0.621 -2.151 3.981 1.00 0.00 C ATOM 289 CG LEU A 20 -1.381 -1.535 2.807 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.866 -1.987 1.443 1.00 0.00 C ATOM 291 CD2 LEU A 20 -2.846 -1.934 2.946 1.00 0.00 C ATOM 0 H LEU A 20 1.324 -2.033 5.955 1.00 0.00 H new ATOM 0 HA LEU A 20 1.305 -2.318 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.805 -3.225 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.012 -1.743 4.913 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.239 -0.455 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.452 -1.510 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.181 -1.704 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.959 -3.070 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.419 -1.509 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.931 -3.020 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.237 -1.558 3.891 1.00 0.00 H new ATOM 303 N ILE A 21 1.866 0.030 2.803 1.00 0.00 N ATOM 304 CA ILE A 21 2.282 1.408 2.583 1.00 0.00 C ATOM 305 C ILE A 21 1.614 1.965 1.326 1.00 0.00 C ATOM 306 O ILE A 21 1.857 1.531 0.195 1.00 0.00 O ATOM 307 CB ILE A 21 3.831 1.490 2.509 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.554 1.343 3.863 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.278 2.855 1.956 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.226 0.089 4.669 1.00 0.00 C ATOM 0 H ILE A 21 2.139 -0.591 2.041 1.00 0.00 H new ATOM 0 HA ILE A 21 1.961 2.026 3.422 1.00 0.00 H new ATOM 0 HB ILE A 21 4.101 0.652 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.629 1.362 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.318 2.214 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.367 2.891 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.870 2.993 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.914 3.649 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.793 0.096 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.160 0.070 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.491 -0.796 4.090 1.00 0.00 H new ATOM 322 N ASP A 22 0.811 3.000 1.526 1.00 0.00 N ATOM 323 CA ASP A 22 0.093 3.698 0.476 1.00 0.00 C ATOM 324 C ASP A 22 1.003 4.858 0.100 1.00 0.00 C ATOM 325 O ASP A 22 1.177 5.797 0.881 1.00 0.00 O ATOM 326 CB ASP A 22 -1.293 4.183 0.931 1.00 0.00 C ATOM 327 CG ASP A 22 -1.882 3.314 2.031 1.00 0.00 C ATOM 328 OD1 ASP A 22 -1.742 3.746 3.195 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.354 2.199 1.724 1.00 0.00 O ATOM 0 H ASP A 22 0.638 3.387 2.454 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.117 3.044 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.216 5.211 1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.970 4.191 0.077 1.00 0.00 H new ATOM 334 N ILE A 23 1.634 4.784 -1.072 1.00 0.00 N ATOM 335 CA ILE A 23 2.549 5.828 -1.552 1.00 0.00 C ATOM 336 C ILE A 23 1.813 6.996 -2.230 1.00 0.00 C ATOM 337 O ILE A 23 2.455 7.897 -2.782 1.00 0.00 O ATOM 338 CB ILE A 23 3.666 5.216 -2.425 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.100 4.556 -3.700 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.499 4.227 -1.590 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.186 3.933 -4.575 1.00 0.00 C ATOM 0 H ILE A 23 1.528 4.001 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 23 3.033 6.273 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 23 4.321 6.020 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.382 3.787 -3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.556 5.302 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.285 3.799 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.948 4.751 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.854 3.430 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.729 3.484 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.891 4.705 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.714 3.165 -4.009 1.00 0.00 H new ATOM 353 N ARG A 24 0.477 6.941 -2.282 1.00 0.00 N ATOM 354 CA ARG A 24 -0.373 7.973 -2.871 1.00 0.00 C ATOM 355 C ARG A 24 -0.361 9.220 -1.980 1.00 0.00 C ATOM 356 O ARG A 24 0.187 9.207 -0.882 1.00 0.00 O ATOM 357 CB ARG A 24 -1.825 7.487 -2.953 1.00 0.00 C ATOM 358 CG ARG A 24 -2.133 6.234 -3.779 1.00 0.00 C ATOM 359 CD ARG A 24 -3.635 6.113 -4.134 1.00 0.00 C ATOM 360 NE ARG A 24 -4.510 6.592 -3.052 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.844 6.646 -2.995 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.629 6.048 -3.883 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.394 7.282 -1.976 1.00 0.00 N ATOM 0 H ARG A 24 -0.053 6.155 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 24 0.009 8.197 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.172 7.306 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.425 8.304 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.546 6.255 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.822 5.350 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.838 6.683 -5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.870 5.072 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.026 6.934 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.218 5.518 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.643 6.118 -3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.803 7.712 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.409 7.343 -1.901 1.00 0.00 H new ATOM 377 N ASP A 25 -0.990 10.292 -2.456 1.00 0.00 N ATOM 378 CA ASP A 25 -1.094 11.560 -1.736 1.00 0.00 C ATOM 379 C ASP A 25 -1.904 11.334 -0.457 1.00 0.00 C ATOM 380 O ASP A 25 -2.905 10.607 -0.470 1.00 0.00 O ATOM 381 CB ASP A 25 -1.780 12.634 -2.594 1.00 0.00 C ATOM 382 CG ASP A 25 -0.910 13.113 -3.751 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.114 13.787 -3.493 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.246 12.772 -4.910 1.00 0.00 O ATOM 0 H ASP A 25 -1.449 10.305 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.090 11.911 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.714 12.234 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.039 13.485 -1.964 1.00 0.00 H new ATOM 389 N ALA A 26 -1.498 11.980 0.639 1.00 0.00 N ATOM 390 CA ALA A 26 -2.155 11.867 1.937 1.00 0.00 C ATOM 391 C ALA A 26 -3.621 12.299 1.881 1.00 0.00 C ATOM 392 O ALA A 26 -4.484 11.616 2.422 1.00 0.00 O ATOM 393 CB ALA A 26 -1.400 12.705 2.974 1.00 0.00 C ATOM 0 H ALA A 26 -0.692 12.605 0.646 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.137 10.816 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.894 12.618 3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.375 12.345 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.394 13.750 2.663 1.00 0.00 H new ATOM 399 N ASP A 27 -3.916 13.393 1.178 1.00 0.00 N ATOM 400 CA ASP A 27 -5.263 13.945 1.042 1.00 0.00 C ATOM 401 C ASP A 27 -6.281 12.949 0.499 1.00 0.00 C ATOM 402 O ASP A 27 -7.467 13.049 0.814 1.00 0.00 O ATOM 403 CB ASP A 27 -5.224 15.169 0.124 1.00 0.00 C ATOM 404 CG ASP A 27 -6.613 15.769 -0.046 1.00 0.00 C ATOM 405 OD1 ASP A 27 -7.238 15.583 -1.113 1.00 0.00 O ATOM 406 OD2 ASP A 27 -7.102 16.443 0.891 1.00 0.00 O ATOM 0 H ASP A 27 -3.209 13.931 0.677 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.588 14.214 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.549 15.918 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.825 14.885 -0.850 1.00 0.00 H new ATOM 411 N GLU A 28 -5.837 11.997 -0.317 1.00 0.00 N ATOM 412 CA GLU A 28 -6.720 10.997 -0.888 1.00 0.00 C ATOM 413 C GLU A 28 -6.915 9.810 0.061 1.00 0.00 C ATOM 414 O GLU A 28 -7.920 9.114 -0.040 1.00 0.00 O ATOM 415 CB GLU A 28 -6.191 10.587 -2.258 1.00 0.00 C ATOM 416 CG GLU A 28 -6.324 11.734 -3.283 1.00 0.00 C ATOM 417 CD GLU A 28 -6.810 11.249 -4.651 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.575 11.973 -5.335 1.00 0.00 O ATOM 419 OE2 GLU A 28 -6.435 10.135 -5.077 1.00 0.00 O ATOM 0 H GLU A 28 -4.861 11.901 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.714 11.422 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.145 10.294 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.738 9.714 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.019 12.481 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.359 12.227 -3.398 1.00 0.00 H new ATOM 426 N TYR A 29 -5.979 9.560 0.981 1.00 0.00 N ATOM 427 CA TYR A 29 -6.083 8.469 1.957 1.00 0.00 C ATOM 428 C TYR A 29 -7.206 8.814 2.952 1.00 0.00 C ATOM 429 O TYR A 29 -7.921 7.941 3.442 1.00 0.00 O ATOM 430 CB TYR A 29 -4.727 8.251 2.662 1.00 0.00 C ATOM 431 CG TYR A 29 -4.739 7.324 3.863 1.00 0.00 C ATOM 432 CD1 TYR A 29 -5.132 7.808 5.127 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.266 6.006 3.743 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.038 6.985 6.262 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.179 5.175 4.874 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.542 5.666 6.146 1.00 0.00 C ATOM 437 OH TYR A 29 -4.447 4.878 7.258 1.00 0.00 O ATOM 0 H TYR A 29 -5.125 10.110 1.071 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.332 7.531 1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.020 7.857 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.347 9.221 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.507 8.816 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.967 5.629 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.346 7.361 7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.833 4.157 4.769 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.805 4.156 7.094 1.00 0.00 H new ATOM 447 N LEU A 30 -7.383 10.109 3.222 1.00 0.00 N ATOM 448 CA LEU A 30 -8.391 10.661 4.123 1.00 0.00 C ATOM 449 C LEU A 30 -9.816 10.463 3.603 1.00 0.00 C ATOM 450 O LEU A 30 -10.767 10.402 4.383 1.00 0.00 O ATOM 451 CB LEU A 30 -8.128 12.162 4.255 1.00 0.00 C ATOM 452 CG LEU A 30 -6.802 12.504 4.959 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.586 14.015 4.989 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.734 11.965 6.387 1.00 0.00 C ATOM 0 H LEU A 30 -6.801 10.832 2.799 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.315 10.141 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.126 12.609 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.950 12.618 4.808 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.015 12.021 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.644 14.238 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.554 14.398 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.406 14.489 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.777 12.236 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.544 12.394 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.832 10.880 6.371 1.00 0.00 H new ATOM 466 N ARG A 31 -9.954 10.419 2.278 1.00 0.00 N ATOM 467 CA ARG A 31 -11.216 10.222 1.571 1.00 0.00 C ATOM 468 C ARG A 31 -11.746 8.841 1.922 1.00 0.00 C ATOM 469 O ARG A 31 -12.786 8.718 2.567 1.00 0.00 O ATOM 470 CB ARG A 31 -11.049 10.377 0.058 1.00 0.00 C ATOM 471 CG ARG A 31 -10.563 11.778 -0.310 1.00 0.00 C ATOM 472 CD ARG A 31 -10.613 11.922 -1.824 1.00 0.00 C ATOM 473 NE ARG A 31 -10.269 13.285 -2.264 1.00 0.00 N ATOM 474 CZ ARG A 31 -10.959 14.020 -3.144 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.061 13.558 -3.733 1.00 0.00 N ATOM 476 NH2 ARG A 31 -10.568 15.251 -3.425 1.00 0.00 N ATOM 0 H ARG A 31 -9.160 10.524 1.646 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.927 10.987 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.339 9.636 -0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.000 10.179 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.190 12.533 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.547 11.934 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.923 11.210 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.612 11.669 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.431 13.706 -1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.400 12.620 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.566 14.142 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.741 15.640 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.093 15.812 -4.096 1.00 0.00 H new ATOM 490 N GLU A 32 -11.052 7.805 1.454 1.00 0.00 N ATOM 491 CA GLU A 32 -11.395 6.418 1.694 1.00 0.00 C ATOM 492 C GLU A 32 -10.174 5.561 1.390 1.00 0.00 C ATOM 493 O GLU A 32 -9.659 5.555 0.267 1.00 0.00 O ATOM 494 CB GLU A 32 -12.629 5.980 0.887 1.00 0.00 C ATOM 495 CG GLU A 32 -12.589 6.090 -0.642 1.00 0.00 C ATOM 496 CD GLU A 32 -14.020 6.033 -1.173 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.640 7.116 -1.304 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.580 4.926 -1.369 1.00 0.00 O ATOM 0 H GLU A 32 -10.214 7.918 0.883 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.673 6.289 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.835 4.939 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.478 6.567 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.111 7.023 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.996 5.278 -1.064 1.00 0.00 H new ATOM 505 N HIS A 33 -9.672 4.854 2.399 1.00 0.00 N ATOM 506 CA HIS A 33 -8.515 3.988 2.222 1.00 0.00 C ATOM 507 C HIS A 33 -8.599 2.750 3.090 1.00 0.00 C ATOM 508 O HIS A 33 -9.633 2.488 3.697 1.00 0.00 O ATOM 509 CB HIS A 33 -7.194 4.762 2.340 1.00 0.00 C ATOM 510 CG HIS A 33 -6.333 4.489 1.142 1.00 0.00 C ATOM 511 ND1 HIS A 33 -6.726 4.752 -0.149 1.00 0.00 N ATOM 512 CD2 HIS A 33 -5.120 3.855 1.102 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.765 4.278 -0.953 1.00 0.00 C ATOM 514 NE2 HIS A 33 -4.760 3.753 -0.246 1.00 0.00 N ATOM 0 H HIS A 33 -10.050 4.865 3.346 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.528 3.615 1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.394 5.831 2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.670 4.468 3.250 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.585 5.219 -0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.550 3.501 1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.798 4.315 -2.032 1.00 0.00 H new ATOM 522 N ILE A 34 -7.549 1.944 3.080 1.00 0.00 N ATOM 523 CA ILE A 34 -7.479 0.702 3.824 1.00 0.00 C ATOM 524 C ILE A 34 -7.216 1.000 5.307 1.00 0.00 C ATOM 525 O ILE A 34 -6.398 1.874 5.609 1.00 0.00 O ATOM 526 CB ILE A 34 -6.387 -0.183 3.184 1.00 0.00 C ATOM 527 CG1 ILE A 34 -6.728 -0.395 1.688 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.311 -1.533 3.915 1.00 0.00 C ATOM 529 CD1 ILE A 34 -5.647 -1.089 0.872 1.00 0.00 C ATOM 0 H ILE A 34 -6.705 2.142 2.542 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.423 0.159 3.781 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.416 0.306 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.645 -0.980 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.935 0.576 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.539 -2.151 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.068 -1.365 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.273 -2.041 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.980 -1.191 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.732 -0.497 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.454 -2.077 1.290 1.00 0.00 H new ATOM 541 N PRO A 35 -7.874 0.291 6.240 1.00 0.00 N ATOM 542 CA PRO A 35 -7.678 0.487 7.665 1.00 0.00 C ATOM 543 C PRO A 35 -6.306 -0.032 8.111 1.00 0.00 C ATOM 544 O PRO A 35 -5.625 0.673 8.856 1.00 0.00 O ATOM 545 CB PRO A 35 -8.825 -0.261 8.341 1.00 0.00 C ATOM 546 CG PRO A 35 -9.178 -1.367 7.354 1.00 0.00 C ATOM 547 CD PRO A 35 -8.866 -0.745 6.004 1.00 0.00 C ATOM 0 HA PRO A 35 -7.688 1.543 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.522 -0.669 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.675 0.395 8.526 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.587 -2.266 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.226 -1.655 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.485 -1.495 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.766 -0.324 5.555 1.00 0.00 H new ATOM 555 N GLU A 36 -5.858 -1.211 7.646 1.00 0.00 N ATOM 556 CA GLU A 36 -4.565 -1.762 8.024 1.00 0.00 C ATOM 557 C GLU A 36 -3.350 -0.933 7.584 1.00 0.00 C ATOM 558 O GLU A 36 -2.267 -1.125 8.145 1.00 0.00 O ATOM 559 CB GLU A 36 -4.425 -3.150 7.398 1.00 0.00 C ATOM 560 CG GLU A 36 -5.457 -4.154 7.919 1.00 0.00 C ATOM 561 CD GLU A 36 -6.778 -4.274 7.170 1.00 0.00 C ATOM 562 OE1 GLU A 36 -7.008 -3.522 6.202 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.580 -5.171 7.532 1.00 0.00 O ATOM 0 H GLU A 36 -6.386 -1.799 7.001 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.559 -1.774 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.525 -3.065 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.424 -3.532 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.989 -5.138 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.682 -3.895 8.954 1.00 0.00 H new ATOM 570 N ALA A 37 -3.473 -0.055 6.584 1.00 0.00 N ATOM 571 CA ALA A 37 -2.326 0.721 6.135 1.00 0.00 C ATOM 572 C ALA A 37 -1.944 1.840 7.098 1.00 0.00 C ATOM 573 O ALA A 37 -2.748 2.328 7.900 1.00 0.00 O ATOM 574 CB ALA A 37 -2.525 1.254 4.729 1.00 0.00 C ATOM 0 H ALA A 37 -4.341 0.130 6.081 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.486 0.027 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.648 1.828 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.666 0.421 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.405 1.897 4.705 1.00 0.00 H new ATOM 580 N ASP A 38 -0.698 2.286 6.958 1.00 0.00 N ATOM 581 CA ASP A 38 -0.101 3.333 7.797 1.00 0.00 C ATOM 582 C ASP A 38 0.040 4.690 7.109 1.00 0.00 C ATOM 583 O ASP A 38 0.163 5.711 7.783 1.00 0.00 O ATOM 584 CB ASP A 38 1.297 2.843 8.153 1.00 0.00 C ATOM 585 CG ASP A 38 1.763 3.228 9.559 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.694 2.369 10.467 1.00 0.00 O ATOM 587 OD2 ASP A 38 2.337 4.323 9.749 1.00 0.00 O ATOM 0 H ASP A 38 -0.060 1.927 6.247 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.757 3.492 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.323 1.757 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.005 3.243 7.427 1.00 0.00 H new ATOM 592 N LEU A 39 0.012 4.673 5.772 1.00 0.00 N ATOM 593 CA LEU A 39 0.133 5.773 4.804 1.00 0.00 C ATOM 594 C LEU A 39 1.535 6.373 4.804 1.00 0.00 C ATOM 595 O LEU A 39 2.125 6.602 5.860 1.00 0.00 O ATOM 596 CB LEU A 39 -0.939 6.846 5.053 1.00 0.00 C ATOM 597 CG LEU A 39 -0.720 8.193 4.332 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.913 8.066 2.817 1.00 0.00 C ATOM 599 CD2 LEU A 39 -1.672 9.251 4.897 1.00 0.00 C ATOM 0 H LEU A 39 -0.110 3.785 5.284 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.036 5.357 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.906 6.445 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.996 7.034 6.125 1.00 0.00 H new ATOM 0 HG LEU A 39 0.311 8.500 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.750 9.036 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.199 7.345 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.927 7.727 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.510 10.198 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.703 8.929 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.482 9.380 5.962 1.00 0.00 H new ATOM 611 N ALA A 40 2.095 6.623 3.618 1.00 0.00 N ATOM 612 CA ALA A 40 3.424 7.216 3.484 1.00 0.00 C ATOM 613 C ALA A 40 3.658 7.700 2.044 1.00 0.00 C ATOM 614 O ALA A 40 4.256 6.963 1.255 1.00 0.00 O ATOM 615 CB ALA A 40 4.528 6.247 3.927 1.00 0.00 C ATOM 0 H ALA A 40 1.640 6.420 2.728 1.00 0.00 H new ATOM 0 HA ALA A 40 3.469 8.079 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.500 6.726 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.378 5.978 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.491 5.348 3.312 1.00 0.00 H new ATOM 621 N PRO A 41 3.224 8.923 1.687 1.00 0.00 N ATOM 622 CA PRO A 41 3.413 9.455 0.345 1.00 0.00 C ATOM 623 C PRO A 41 4.898 9.511 -0.016 1.00 0.00 C ATOM 624 O PRO A 41 5.755 9.733 0.849 1.00 0.00 O ATOM 625 CB PRO A 41 2.788 10.856 0.330 1.00 0.00 C ATOM 626 CG PRO A 41 2.517 11.198 1.793 1.00 0.00 C ATOM 627 CD PRO A 41 2.511 9.865 2.531 1.00 0.00 C ATOM 0 HA PRO A 41 2.937 8.814 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.463 11.582 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.867 10.869 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.285 11.862 2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.563 11.712 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.995 9.958 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.491 9.527 2.713 1.00 0.00 H new ATOM 635 N LEU A 42 5.201 9.400 -1.317 1.00 0.00 N ATOM 636 CA LEU A 42 6.584 9.445 -1.803 1.00 0.00 C ATOM 637 C LEU A 42 7.261 10.743 -1.338 1.00 0.00 C ATOM 638 O LEU A 42 8.425 10.733 -0.957 1.00 0.00 O ATOM 639 CB LEU A 42 6.653 9.313 -3.334 1.00 0.00 C ATOM 640 CG LEU A 42 7.907 8.627 -3.932 1.00 0.00 C ATOM 641 CD1 LEU A 42 9.096 8.354 -3.001 1.00 0.00 C ATOM 642 CD2 LEU A 42 7.445 7.299 -4.527 1.00 0.00 C ATOM 0 H LEU A 42 4.504 9.278 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 42 7.118 8.594 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.775 8.758 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.579 10.312 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 42 8.307 9.345 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.895 7.871 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.460 9.296 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.779 7.701 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.298 6.779 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.005 6.683 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.701 7.486 -5.302 1.00 0.00 H new ATOM 654 N SER A 43 6.509 11.845 -1.284 1.00 0.00 N ATOM 655 CA SER A 43 6.974 13.160 -0.861 1.00 0.00 C ATOM 656 C SER A 43 7.547 13.175 0.569 1.00 0.00 C ATOM 657 O SER A 43 8.261 14.112 0.924 1.00 0.00 O ATOM 658 CB SER A 43 5.807 14.143 -0.979 1.00 0.00 C ATOM 659 OG SER A 43 5.048 13.917 -2.164 1.00 0.00 O ATOM 0 H SER A 43 5.523 11.841 -1.544 1.00 0.00 H new ATOM 0 HA SER A 43 7.798 13.451 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.159 14.046 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.189 15.164 -0.980 1.00 0.00 H new ATOM 0 HG SER A 43 4.310 14.560 -2.207 1.00 0.00 H new ATOM 665 N VAL A 44 7.226 12.180 1.405 1.00 0.00 N ATOM 666 CA VAL A 44 7.726 12.064 2.772 1.00 0.00 C ATOM 667 C VAL A 44 8.872 11.052 2.756 1.00 0.00 C ATOM 668 O VAL A 44 9.837 11.226 3.497 1.00 0.00 O ATOM 669 CB VAL A 44 6.592 11.696 3.751 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.111 11.502 5.186 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.552 12.823 3.787 1.00 0.00 C ATOM 0 H VAL A 44 6.599 11.420 1.141 1.00 0.00 H new ATOM 0 HA VAL A 44 8.107 13.019 3.135 1.00 0.00 H new ATOM 0 HB VAL A 44 6.157 10.762 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.279 11.244 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.848 10.699 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.574 12.426 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.753 12.559 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.028 13.747 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.135 12.966 2.790 1.00 0.00 H new ATOM 681 N LEU A 45 8.806 10.017 1.914 1.00 0.00 N ATOM 682 CA LEU A 45 9.847 9.006 1.792 1.00 0.00 C ATOM 683 C LEU A 45 11.131 9.655 1.288 1.00 0.00 C ATOM 684 O LEU A 45 12.172 9.526 1.917 1.00 0.00 O ATOM 685 CB LEU A 45 9.370 7.918 0.834 1.00 0.00 C ATOM 686 CG LEU A 45 8.464 6.918 1.560 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.635 6.157 0.546 1.00 0.00 C ATOM 688 CD2 LEU A 45 9.313 5.922 2.339 1.00 0.00 C ATOM 0 H LEU A 45 8.014 9.860 1.291 1.00 0.00 H new ATOM 0 HA LEU A 45 10.052 8.554 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.829 8.370 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.229 7.397 0.410 1.00 0.00 H new ATOM 0 HG LEU A 45 7.813 7.463 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.991 5.446 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.021 6.857 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.296 5.620 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.663 5.214 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.965 5.383 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.919 6.455 3.071 1.00 0.00 H new ATOM 700 N GLU A 46 11.040 10.409 0.198 1.00 0.00 N ATOM 701 CA GLU A 46 12.149 11.127 -0.409 1.00 0.00 C ATOM 702 C GLU A 46 12.832 12.109 0.559 1.00 0.00 C ATOM 703 O GLU A 46 13.979 12.491 0.333 1.00 0.00 O ATOM 704 CB GLU A 46 11.591 11.901 -1.616 1.00 0.00 C ATOM 705 CG GLU A 46 11.717 11.056 -2.889 1.00 0.00 C ATOM 706 CD GLU A 46 13.041 11.315 -3.619 1.00 0.00 C ATOM 707 OE1 GLU A 46 14.059 11.603 -2.949 1.00 0.00 O ATOM 708 OE2 GLU A 46 13.135 11.093 -4.848 1.00 0.00 O ATOM 0 H GLU A 46 10.161 10.540 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 46 12.910 10.404 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.546 12.157 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.133 12.839 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.645 9.999 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.885 11.279 -3.557 1.00 0.00 H new ATOM 715 N GLN A 47 12.147 12.558 1.616 1.00 0.00 N ATOM 716 CA GLN A 47 12.670 13.511 2.592 1.00 0.00 C ATOM 717 C GLN A 47 13.111 12.863 3.908 1.00 0.00 C ATOM 718 O GLN A 47 14.262 13.004 4.332 1.00 0.00 O ATOM 719 CB GLN A 47 11.592 14.567 2.878 1.00 0.00 C ATOM 720 CG GLN A 47 11.254 15.444 1.672 1.00 0.00 C ATOM 721 CD GLN A 47 10.469 16.676 2.110 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.064 17.642 2.591 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.158 16.674 1.952 1.00 0.00 N ATOM 0 H GLN A 47 11.193 12.260 1.818 1.00 0.00 H new ATOM 0 HA GLN A 47 13.563 13.959 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.685 14.065 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.928 15.204 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.171 15.750 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.671 14.871 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.694 15.859 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.609 17.487 2.231 1.00 0.00 H new ATOM 732 N SER A 48 12.159 12.230 4.580 1.00 0.00 N ATOM 733 CA SER A 48 12.290 11.554 5.851 1.00 0.00 C ATOM 734 C SER A 48 12.674 10.085 5.652 1.00 0.00 C ATOM 735 O SER A 48 13.656 9.633 6.242 1.00 0.00 O ATOM 736 CB SER A 48 10.959 11.731 6.591 1.00 0.00 C ATOM 737 OG SER A 48 11.067 11.431 7.966 1.00 0.00 O ATOM 0 H SER A 48 11.207 12.175 4.219 1.00 0.00 H new ATOM 0 HA SER A 48 13.095 11.981 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.613 12.758 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.206 11.086 6.139 1.00 0.00 H new ATOM 0 HG SER A 48 10.197 11.559 8.398 1.00 0.00 H new ATOM 743 N GLY A 49 11.938 9.337 4.824 1.00 0.00 N ATOM 744 CA GLY A 49 12.205 7.928 4.576 1.00 0.00 C ATOM 745 C GLY A 49 11.248 7.047 5.364 1.00 0.00 C ATOM 746 O GLY A 49 10.502 7.524 6.227 1.00 0.00 O ATOM 0 H GLY A 49 11.137 9.700 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.106 7.717 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.233 7.694 4.853 1.00 0.00 H new ATOM 750 N LEU A 50 11.254 5.753 5.040 1.00 0.00 N ATOM 751 CA LEU A 50 10.419 4.747 5.679 1.00 0.00 C ATOM 752 C LEU A 50 10.779 4.704 7.181 1.00 0.00 C ATOM 753 O LEU A 50 11.976 4.660 7.495 1.00 0.00 O ATOM 754 CB LEU A 50 10.599 3.418 4.917 1.00 0.00 C ATOM 755 CG LEU A 50 9.470 2.407 5.187 1.00 0.00 C ATOM 756 CD1 LEU A 50 9.267 1.416 4.049 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.728 1.609 6.450 1.00 0.00 C ATOM 0 H LEU A 50 11.855 5.372 4.309 1.00 0.00 H new ATOM 0 HA LEU A 50 9.354 4.975 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.646 3.623 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.553 2.972 5.198 1.00 0.00 H new ATOM 0 HG LEU A 50 8.571 3.014 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.457 0.732 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.013 1.956 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.185 0.850 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.911 0.905 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.665 1.061 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.794 2.287 7.301 1.00 0.00 H new ATOM 769 N PRO A 51 9.795 4.773 8.102 1.00 0.00 N ATOM 770 CA PRO A 51 10.015 4.762 9.547 1.00 0.00 C ATOM 771 C PRO A 51 10.315 3.370 10.100 1.00 0.00 C ATOM 772 O PRO A 51 9.808 2.360 9.611 1.00 0.00 O ATOM 773 CB PRO A 51 8.702 5.262 10.159 1.00 0.00 C ATOM 774 CG PRO A 51 7.645 4.804 9.161 1.00 0.00 C ATOM 775 CD PRO A 51 8.370 4.838 7.813 1.00 0.00 C ATOM 0 HA PRO A 51 10.881 5.378 9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.532 4.835 11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.701 6.346 10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.283 3.803 9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.779 5.465 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.063 4.000 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.127 5.749 7.266 1.00 0.00 H new ATOM 783 N ALA A 52 10.979 3.318 11.256 1.00 0.00 N ATOM 784 CA ALA A 52 11.342 2.062 11.914 1.00 0.00 C ATOM 785 C ALA A 52 10.142 1.167 12.259 1.00 0.00 C ATOM 786 O ALA A 52 10.325 -0.011 12.560 1.00 0.00 O ATOM 787 CB ALA A 52 12.132 2.358 13.185 1.00 0.00 C ATOM 0 H ALA A 52 11.281 4.149 11.764 1.00 0.00 H new ATOM 0 HA ALA A 52 11.946 1.507 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.401 1.421 13.673 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.038 2.908 12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.522 2.957 13.861 1.00 0.00 H new ATOM 793 N LYS A 53 8.923 1.712 12.256 1.00 0.00 N ATOM 794 CA LYS A 53 7.713 0.959 12.556 1.00 0.00 C ATOM 795 C LYS A 53 7.149 0.248 11.328 1.00 0.00 C ATOM 796 O LYS A 53 6.489 -0.772 11.483 1.00 0.00 O ATOM 797 CB LYS A 53 6.602 1.897 13.035 1.00 0.00 C ATOM 798 CG LYS A 53 6.942 2.908 14.129 1.00 0.00 C ATOM 799 CD LYS A 53 7.498 2.279 15.406 1.00 0.00 C ATOM 800 CE LYS A 53 7.610 3.330 16.514 1.00 0.00 C ATOM 801 NZ LYS A 53 8.613 4.372 16.211 1.00 0.00 N ATOM 0 H LYS A 53 8.752 2.695 12.043 1.00 0.00 H new ATOM 0 HA LYS A 53 8.001 0.234 13.317 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.236 2.450 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.776 1.282 13.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.671 3.618 13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.045 3.475 14.377 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.848 1.466 15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.478 1.844 15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.638 3.800 16.664 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.874 2.838 17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.685 5.029 17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.538 3.926 16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.323 4.896 15.361 1.00 0.00 H new ATOM 815 N LEU A 54 7.373 0.766 10.115 1.00 0.00 N ATOM 816 CA LEU A 54 6.833 0.169 8.887 1.00 0.00 C ATOM 817 C LEU A 54 7.758 -0.819 8.189 1.00 0.00 C ATOM 818 O LEU A 54 7.313 -1.510 7.280 1.00 0.00 O ATOM 819 CB LEU A 54 6.464 1.287 7.889 1.00 0.00 C ATOM 820 CG LEU A 54 5.115 1.939 8.221 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.912 3.238 7.430 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.957 0.962 7.963 1.00 0.00 C ATOM 0 H LEU A 54 7.930 1.606 9.957 1.00 0.00 H new ATOM 0 HA LEU A 54 5.961 -0.402 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.244 2.048 7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.428 0.874 6.881 1.00 0.00 H new ATOM 0 HG LEU A 54 5.123 2.191 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.947 3.674 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.707 3.942 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.938 3.022 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.011 1.447 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.956 0.668 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.082 0.077 8.587 1.00 0.00 H new ATOM 834 N ARG A 55 9.021 -0.908 8.591 1.00 0.00 N ATOM 835 CA ARG A 55 10.065 -1.772 8.020 1.00 0.00 C ATOM 836 C ARG A 55 9.916 -3.267 8.333 1.00 0.00 C ATOM 837 O ARG A 55 10.913 -3.972 8.488 1.00 0.00 O ATOM 838 CB ARG A 55 11.434 -1.240 8.455 1.00 0.00 C ATOM 839 CG ARG A 55 11.592 -1.309 9.970 1.00 0.00 C ATOM 840 CD ARG A 55 12.956 -1.828 10.363 1.00 0.00 C ATOM 841 NE ARG A 55 13.099 -3.252 10.040 1.00 0.00 N ATOM 842 CZ ARG A 55 13.764 -4.173 10.734 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.488 -3.837 11.798 1.00 0.00 N ATOM 844 NH2 ARG A 55 13.668 -5.444 10.363 1.00 0.00 N ATOM 0 H ARG A 55 9.371 -0.349 9.369 1.00 0.00 H new ATOM 0 HA ARG A 55 9.958 -1.723 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.222 -1.821 7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.550 -0.209 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.442 -0.318 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.821 -1.957 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.727 -1.257 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.110 -1.678 11.432 1.00 0.00 H new ATOM 0 HE ARG A 55 12.637 -3.572 9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.539 -2.862 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.992 -4.555 12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.093 -5.699 9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.169 -6.166 10.881 1.00 0.00 H new ATOM 858 N HIS A 56 8.682 -3.715 8.512 1.00 0.00 N ATOM 859 CA HIS A 56 8.321 -5.104 8.801 1.00 0.00 C ATOM 860 C HIS A 56 9.012 -6.048 7.804 1.00 0.00 C ATOM 861 O HIS A 56 9.410 -5.643 6.711 1.00 0.00 O ATOM 862 CB HIS A 56 6.790 -5.288 8.766 1.00 0.00 C ATOM 863 CG HIS A 56 6.215 -6.371 9.663 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.899 -7.236 10.493 1.00 0.00 N ATOM 865 CD2 HIS A 56 4.879 -6.624 9.849 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.999 -7.989 11.142 1.00 0.00 C ATOM 867 NE2 HIS A 56 4.747 -7.630 10.813 1.00 0.00 N ATOM 0 H HIS A 56 7.870 -3.100 8.459 1.00 0.00 H new ATOM 0 HA HIS A 56 8.664 -5.353 9.805 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.326 -4.339 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.496 -5.505 7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.066 -6.130 9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.247 -8.778 11.836 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.879 -8.012 11.188 1.00 0.00 H new ATOM 875 N GLU A 57 9.097 -7.327 8.172 1.00 0.00 N ATOM 876 CA GLU A 57 9.721 -8.409 7.412 1.00 0.00 C ATOM 877 C GLU A 57 9.314 -8.394 5.937 1.00 0.00 C ATOM 878 O GLU A 57 10.155 -8.655 5.069 1.00 0.00 O ATOM 879 CB GLU A 57 9.388 -9.741 8.103 1.00 0.00 C ATOM 880 CG GLU A 57 10.108 -9.849 9.460 1.00 0.00 C ATOM 881 CD GLU A 57 9.479 -10.903 10.371 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.075 -10.546 11.501 1.00 0.00 O ATOM 883 OE2 GLU A 57 9.392 -12.090 9.984 1.00 0.00 O ATOM 0 H GLU A 57 8.711 -7.653 9.058 1.00 0.00 H new ATOM 0 HA GLU A 57 10.802 -8.270 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.311 -9.820 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.684 -10.572 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.157 -10.096 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.084 -8.880 9.959 1.00 0.00 H new ATOM 890 N GLN A 58 8.042 -8.098 5.656 1.00 0.00 N ATOM 891 CA GLN A 58 7.471 -8.005 4.323 1.00 0.00 C ATOM 892 C GLN A 58 6.453 -6.880 4.339 1.00 0.00 C ATOM 893 O GLN A 58 5.734 -6.715 5.327 1.00 0.00 O ATOM 894 CB GLN A 58 6.791 -9.309 3.884 1.00 0.00 C ATOM 895 CG GLN A 58 7.652 -10.548 4.118 1.00 0.00 C ATOM 896 CD GLN A 58 7.110 -11.756 3.367 1.00 0.00 C ATOM 897 OE1 GLN A 58 5.965 -12.184 3.527 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.913 -12.320 2.485 1.00 0.00 N ATOM 0 H GLN A 58 7.358 -7.910 6.388 1.00 0.00 H new ATOM 0 HA GLN A 58 8.273 -7.814 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.851 -9.421 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.543 -9.242 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.674 -10.348 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.691 -10.769 5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.860 -11.963 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.587 -13.113 1.933 1.00 0.00 H new ATOM 907 N ILE A 59 6.383 -6.098 3.267 1.00 0.00 N ATOM 908 CA ILE A 59 5.450 -5.003 3.138 1.00 0.00 C ATOM 909 C ILE A 59 4.926 -5.000 1.698 1.00 0.00 C ATOM 910 O ILE A 59 5.492 -5.650 0.813 1.00 0.00 O ATOM 911 CB ILE A 59 6.112 -3.666 3.567 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.815 -2.962 2.391 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.093 -3.797 4.754 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.366 -1.575 2.709 1.00 0.00 C ATOM 0 H ILE A 59 6.987 -6.216 2.454 1.00 0.00 H new ATOM 0 HA ILE A 59 4.598 -5.126 3.807 1.00 0.00 H new ATOM 0 HB ILE A 59 5.278 -3.052 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.635 -3.592 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.110 -2.876 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.511 -2.819 4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.562 -4.184 5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.899 -4.481 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.842 -1.160 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.551 -0.923 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.099 -1.650 3.512 1.00 0.00 H new ATOM 926 N ILE A 60 3.879 -4.226 1.432 1.00 0.00 N ATOM 927 CA ILE A 60 3.283 -4.101 0.103 1.00 0.00 C ATOM 928 C ILE A 60 3.046 -2.611 -0.160 1.00 0.00 C ATOM 929 O ILE A 60 2.722 -1.865 0.767 1.00 0.00 O ATOM 930 CB ILE A 60 1.986 -4.945 -0.011 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.161 -6.430 0.398 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.444 -4.936 -1.453 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.314 -6.813 1.611 1.00 0.00 C ATOM 0 H ILE A 60 3.413 -3.660 2.141 1.00 0.00 H new ATOM 0 HA ILE A 60 3.953 -4.496 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 60 1.293 -4.471 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.892 -7.068 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.211 -6.620 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.535 -5.535 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.221 -3.912 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.193 -5.355 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.477 -7.864 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.600 -6.197 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.260 -6.652 1.384 1.00 0.00 H new ATOM 945 N PHE A 61 3.243 -2.169 -1.407 1.00 0.00 N ATOM 946 CA PHE A 61 3.031 -0.795 -1.844 1.00 0.00 C ATOM 947 C PHE A 61 1.720 -0.779 -2.624 1.00 0.00 C ATOM 948 O PHE A 61 1.467 -1.688 -3.425 1.00 0.00 O ATOM 949 CB PHE A 61 4.183 -0.258 -2.714 1.00 0.00 C ATOM 950 CG PHE A 61 5.502 -0.016 -2.002 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.533 0.810 -0.862 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.708 -0.547 -2.506 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.750 1.106 -0.229 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.929 -0.235 -1.879 1.00 0.00 C ATOM 955 CZ PHE A 61 7.948 0.596 -0.749 1.00 0.00 C ATOM 0 H PHE A 61 3.564 -2.780 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 61 2.993 -0.140 -0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.356 -0.963 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.862 0.679 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.613 1.219 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.694 -1.192 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.764 1.725 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.853 -0.636 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.888 0.844 -0.278 1.00 0.00 H new ATOM 965 N HIS A 62 0.883 0.236 -2.412 1.00 0.00 N ATOM 966 CA HIS A 62 -0.396 0.379 -3.102 1.00 0.00 C ATOM 967 C HIS A 62 -0.520 1.784 -3.688 1.00 0.00 C ATOM 968 O HIS A 62 -0.006 2.769 -3.148 1.00 0.00 O ATOM 969 CB HIS A 62 -1.587 0.098 -2.164 1.00 0.00 C ATOM 970 CG HIS A 62 -1.906 -1.357 -1.909 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.014 -2.406 -1.923 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.107 -1.847 -1.462 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.659 -3.489 -1.454 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.935 -3.201 -1.188 1.00 0.00 N ATOM 0 H HIS A 62 1.076 0.988 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.422 -0.358 -3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.389 0.579 -1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.473 0.575 -2.583 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.021 -1.284 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.206 -4.459 -1.312 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.647 -3.848 -0.849 1.00 0.00 H new ATOM 982 N CYS A 63 -1.187 1.862 -4.838 1.00 0.00 N ATOM 983 CA CYS A 63 -1.486 3.067 -5.587 1.00 0.00 C ATOM 984 C CYS A 63 -2.784 2.819 -6.369 1.00 0.00 C ATOM 985 O CYS A 63 -3.363 1.736 -6.278 1.00 0.00 O ATOM 986 CB CYS A 63 -0.311 3.503 -6.479 1.00 0.00 C ATOM 987 SG CYS A 63 -0.125 2.445 -7.947 1.00 0.00 S ATOM 0 H CYS A 63 -1.554 1.027 -5.295 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.634 3.907 -4.909 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.462 4.535 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.611 3.479 -5.898 1.00 0.00 H new ATOM 0 HG CYS A 63 0.879 2.864 -8.659 1.00 0.00 H new ATOM 993 N GLN A 64 -3.208 3.808 -7.158 1.00 0.00 N ATOM 994 CA GLN A 64 -4.413 3.800 -7.985 1.00 0.00 C ATOM 995 C GLN A 64 -4.682 2.483 -8.737 1.00 0.00 C ATOM 996 O GLN A 64 -5.502 1.682 -8.298 1.00 0.00 O ATOM 997 CB GLN A 64 -4.417 5.019 -8.935 1.00 0.00 C ATOM 998 CG GLN A 64 -3.054 5.317 -9.607 1.00 0.00 C ATOM 999 CD GLN A 64 -3.162 5.905 -11.015 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -2.625 6.978 -11.289 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -3.801 5.192 -11.932 1.00 0.00 N ATOM 0 H GLN A 64 -2.691 4.683 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.250 3.879 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.162 4.854 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.731 5.899 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.496 6.011 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.476 4.394 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.237 4.306 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.857 5.529 -12.893 1.00 0.00 H new ATOM 1087 N SER A 70 5.309 0.769 -9.914 1.00 0.00 N ATOM 1088 CA SER A 70 6.346 0.227 -10.801 1.00 0.00 C ATOM 1089 C SER A 70 7.245 1.310 -11.416 1.00 0.00 C ATOM 1090 O SER A 70 8.318 1.023 -11.948 1.00 0.00 O ATOM 1091 CB SER A 70 5.651 -0.576 -11.909 1.00 0.00 C ATOM 1092 OG SER A 70 4.630 -1.377 -11.349 1.00 0.00 O ATOM 0 HA SER A 70 7.005 -0.406 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.229 0.101 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.377 -1.204 -12.426 1.00 0.00 H new ATOM 0 HG SER A 70 4.274 -0.940 -10.548 1.00 0.00 H new ATOM 1098 N ASN A 71 6.779 2.554 -11.342 1.00 0.00 N ATOM 1099 CA ASN A 71 7.422 3.765 -11.836 1.00 0.00 C ATOM 1100 C ASN A 71 8.657 4.189 -11.033 1.00 0.00 C ATOM 1101 O ASN A 71 9.599 4.722 -11.622 1.00 0.00 O ATOM 1102 CB ASN A 71 6.382 4.882 -11.805 1.00 0.00 C ATOM 1103 CG ASN A 71 6.936 6.191 -12.343 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.934 7.198 -11.637 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.337 6.232 -13.599 1.00 0.00 N ATOM 0 H ASN A 71 5.880 2.755 -10.905 1.00 0.00 H new ATOM 0 HA ASN A 71 7.784 3.562 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.514 4.586 -12.395 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.037 5.028 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.655 7.112 -14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.330 5.383 -14.165 1.00 0.00 H new ATOM 1112 N ASN A 72 8.653 4.004 -9.706 1.00 0.00 N ATOM 1113 CA ASN A 72 9.780 4.349 -8.819 1.00 0.00 C ATOM 1114 C ASN A 72 10.231 3.102 -8.062 1.00 0.00 C ATOM 1115 O ASN A 72 10.902 3.216 -7.046 1.00 0.00 O ATOM 1116 CB ASN A 72 9.487 5.496 -7.821 1.00 0.00 C ATOM 1117 CG ASN A 72 9.183 6.831 -8.486 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.899 7.278 -9.377 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.118 7.500 -8.083 1.00 0.00 N ATOM 0 H ASN A 72 7.857 3.605 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 72 10.572 4.722 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.641 5.212 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.346 5.618 -7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.885 8.395 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.528 7.121 -7.342 1.00 0.00 H new ATOM 1126 N ALA A 73 9.866 1.909 -8.526 1.00 0.00 N ATOM 1127 CA ALA A 73 10.196 0.626 -7.935 1.00 0.00 C ATOM 1128 C ALA A 73 11.687 0.469 -7.622 1.00 0.00 C ATOM 1129 O ALA A 73 12.015 -0.238 -6.679 1.00 0.00 O ATOM 1130 CB ALA A 73 9.714 -0.453 -8.895 1.00 0.00 C ATOM 0 H ALA A 73 9.302 1.813 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 73 9.698 0.541 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.945 -1.436 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.637 -0.362 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.215 -0.335 -9.856 1.00 0.00 H new ATOM 1136 N ASP A 74 12.572 1.137 -8.364 1.00 0.00 N ATOM 1137 CA ASP A 74 14.019 1.110 -8.193 1.00 0.00 C ATOM 1138 C ASP A 74 14.338 1.637 -6.791 1.00 0.00 C ATOM 1139 O ASP A 74 14.791 0.887 -5.924 1.00 0.00 O ATOM 1140 CB ASP A 74 14.648 1.990 -9.290 1.00 0.00 C ATOM 1141 CG ASP A 74 15.229 1.229 -10.486 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.065 1.846 -11.191 1.00 0.00 O ATOM 1143 OD2 ASP A 74 14.764 0.102 -10.769 1.00 0.00 O ATOM 0 H ASP A 74 12.282 1.738 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 74 14.425 0.103 -8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.891 2.684 -9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.440 2.590 -8.842 1.00 0.00 H new ATOM 1148 N LYS A 75 14.062 2.928 -6.568 1.00 0.00 N ATOM 1149 CA LYS A 75 14.271 3.619 -5.298 1.00 0.00 C ATOM 1150 C LYS A 75 13.374 3.060 -4.223 1.00 0.00 C ATOM 1151 O LYS A 75 13.828 2.844 -3.108 1.00 0.00 O ATOM 1152 CB LYS A 75 14.107 5.122 -5.368 1.00 0.00 C ATOM 1153 CG LYS A 75 12.914 5.624 -6.108 1.00 0.00 C ATOM 1154 CD LYS A 75 13.096 5.671 -7.622 1.00 0.00 C ATOM 1155 CE LYS A 75 12.752 7.100 -8.079 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.083 7.399 -9.484 1.00 0.00 N ATOM 0 H LYS A 75 13.676 3.535 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 75 15.316 3.435 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.066 5.509 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.999 5.542 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.060 4.987 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.672 6.625 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.120 5.416 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.446 4.944 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.685 7.267 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.279 7.807 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.817 8.381 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.105 7.276 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.561 6.752 -10.109 1.00 0.00 H new ATOM 1170 N LEU A 76 12.108 2.826 -4.555 1.00 0.00 N ATOM 1171 CA LEU A 76 11.155 2.288 -3.584 1.00 0.00 C ATOM 1172 C LEU A 76 11.670 0.975 -3.005 1.00 0.00 C ATOM 1173 O LEU A 76 11.634 0.811 -1.786 1.00 0.00 O ATOM 1174 CB LEU A 76 9.748 2.138 -4.177 1.00 0.00 C ATOM 1175 CG LEU A 76 9.026 3.487 -4.307 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.717 3.314 -5.080 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.672 4.062 -2.924 1.00 0.00 C ATOM 0 H LEU A 76 11.718 2.998 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 76 11.067 3.007 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.817 1.669 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.159 1.472 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 76 9.700 4.164 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.215 4.278 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.931 2.927 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.071 2.614 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.162 5.017 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.018 3.367 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.585 4.210 -2.347 1.00 0.00 H new ATOM 1189 N ALA A 77 12.154 0.055 -3.848 1.00 0.00 N ATOM 1190 CA ALA A 77 12.697 -1.208 -3.345 1.00 0.00 C ATOM 1191 C ALA A 77 13.875 -0.933 -2.389 1.00 0.00 C ATOM 1192 O ALA A 77 13.954 -1.546 -1.324 1.00 0.00 O ATOM 1193 CB ALA A 77 13.152 -2.097 -4.497 1.00 0.00 C ATOM 0 H ALA A 77 12.180 0.159 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 77 11.910 -1.729 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.552 -3.030 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.304 -2.313 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.926 -1.584 -5.068 1.00 0.00 H new ATOM 1199 N ALA A 78 14.772 -0.004 -2.753 1.00 0.00 N ATOM 1200 CA ALA A 78 15.944 0.364 -1.960 1.00 0.00 C ATOM 1201 C ALA A 78 15.570 0.963 -0.598 1.00 0.00 C ATOM 1202 O ALA A 78 16.117 0.543 0.424 1.00 0.00 O ATOM 1203 CB ALA A 78 16.813 1.347 -2.753 1.00 0.00 C ATOM 0 H ALA A 78 14.697 0.520 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 78 16.504 -0.549 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.686 1.620 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.137 0.878 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.234 2.242 -2.981 1.00 0.00 H new ATOM 1209 N ILE A 79 14.655 1.943 -0.588 1.00 0.00 N ATOM 1210 CA ILE A 79 14.183 2.629 0.613 1.00 0.00 C ATOM 1211 C ILE A 79 13.554 1.603 1.565 1.00 0.00 C ATOM 1212 O ILE A 79 13.769 1.697 2.775 1.00 0.00 O ATOM 1213 CB ILE A 79 13.179 3.774 0.270 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.789 4.961 -0.515 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.603 4.354 1.576 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.765 5.877 -1.223 1.00 0.00 C ATOM 0 H ILE A 79 14.214 2.286 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 79 15.034 3.101 1.104 1.00 0.00 H new ATOM 0 HB ILE A 79 12.426 3.309 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.379 5.566 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.477 4.566 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.901 5.154 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.086 3.568 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.414 4.751 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.291 6.677 -1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.190 5.293 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.090 6.308 -0.483 1.00 0.00 H new ATOM 1228 N ALA A 80 12.776 0.651 1.040 1.00 0.00 N ATOM 1229 CA ALA A 80 12.120 -0.361 1.850 1.00 0.00 C ATOM 1230 C ALA A 80 13.089 -1.371 2.463 1.00 0.00 C ATOM 1231 O ALA A 80 12.915 -1.732 3.630 1.00 0.00 O ATOM 1232 CB ALA A 80 11.084 -1.097 1.003 1.00 0.00 C ATOM 0 H ALA A 80 12.588 0.567 0.041 1.00 0.00 H new ATOM 0 HA ALA A 80 11.644 0.160 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.591 -1.857 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.342 -0.387 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.578 -1.573 0.156 1.00 0.00 H new ATOM 1238 N ALA A 81 14.076 -1.841 1.698 1.00 0.00 N ATOM 1239 CA ALA A 81 15.053 -2.821 2.159 1.00 0.00 C ATOM 1240 C ALA A 81 15.750 -2.396 3.460 1.00 0.00 C ATOM 1241 O ALA A 81 15.958 -1.195 3.652 1.00 0.00 O ATOM 1242 CB ALA A 81 16.086 -3.063 1.054 1.00 0.00 C ATOM 0 H ALA A 81 14.218 -1.547 0.732 1.00 0.00 H new ATOM 0 HA ALA A 81 14.518 -3.744 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.818 -3.795 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.584 -3.439 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.592 -2.127 0.817 1.00 0.00 H new ATOM 1248 N PRO A 82 16.189 -3.329 4.329 1.00 0.00 N ATOM 1249 CA PRO A 82 16.078 -4.784 4.227 1.00 0.00 C ATOM 1250 C PRO A 82 14.669 -5.244 4.636 1.00 0.00 C ATOM 1251 O PRO A 82 14.280 -5.152 5.800 1.00 0.00 O ATOM 1252 CB PRO A 82 17.146 -5.341 5.174 1.00 0.00 C ATOM 1253 CG PRO A 82 17.234 -4.280 6.271 1.00 0.00 C ATOM 1254 CD PRO A 82 16.939 -2.978 5.528 1.00 0.00 C ATOM 0 HA PRO A 82 16.231 -5.139 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.859 -6.312 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.102 -5.476 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.510 -4.462 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.220 -4.263 6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.364 -2.298 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.865 -2.465 5.267 1.00 0.00 H new ATOM 1262 N ALA A 83 13.877 -5.684 3.662 1.00 0.00 N ATOM 1263 CA ALA A 83 12.511 -6.180 3.766 1.00 0.00 C ATOM 1264 C ALA A 83 12.177 -6.759 2.388 1.00 0.00 C ATOM 1265 O ALA A 83 13.050 -6.835 1.521 1.00 0.00 O ATOM 1266 CB ALA A 83 11.549 -5.030 4.118 1.00 0.00 C ATOM 0 H ALA A 83 14.205 -5.704 2.696 1.00 0.00 H new ATOM 0 HA ALA A 83 12.411 -6.930 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.532 -5.416 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.841 -4.591 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.592 -4.268 3.339 1.00 0.00 H new ATOM 1272 N GLU A 84 10.925 -7.121 2.150 1.00 0.00 N ATOM 1273 CA GLU A 84 10.411 -7.648 0.892 1.00 0.00 C ATOM 1274 C GLU A 84 9.269 -6.700 0.515 1.00 0.00 C ATOM 1275 O GLU A 84 8.518 -6.291 1.402 1.00 0.00 O ATOM 1276 CB GLU A 84 9.933 -9.099 1.075 1.00 0.00 C ATOM 1277 CG GLU A 84 10.939 -10.147 0.582 1.00 0.00 C ATOM 1278 CD GLU A 84 12.306 -10.099 1.278 1.00 0.00 C ATOM 1279 OE1 GLU A 84 13.289 -9.734 0.598 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.401 -10.503 2.462 1.00 0.00 O ATOM 0 H GLU A 84 10.202 -7.052 2.866 1.00 0.00 H new ATOM 0 HA GLU A 84 11.164 -7.688 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.728 -9.274 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.992 -9.232 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.509 -11.139 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.087 -10.013 -0.490 1.00 0.00 H new ATOM 1287 N ILE A 85 9.127 -6.344 -0.767 1.00 0.00 N ATOM 1288 CA ILE A 85 8.098 -5.434 -1.257 1.00 0.00 C ATOM 1289 C ILE A 85 7.333 -6.038 -2.423 1.00 0.00 C ATOM 1290 O ILE A 85 7.933 -6.620 -3.331 1.00 0.00 O ATOM 1291 CB ILE A 85 8.647 -4.049 -1.670 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.891 -4.065 -2.578 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.835 -3.153 -0.445 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.210 -4.226 -1.828 1.00 0.00 C ATOM 0 H ILE A 85 9.740 -6.691 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 85 7.425 -5.282 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 85 7.877 -3.620 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.792 -4.879 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.922 -3.137 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.222 -2.184 -0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.877 -3.016 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.540 -3.620 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.035 -4.227 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.335 -3.399 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.203 -5.167 -1.278 1.00 0.00 H new ATOM 1306 N PHE A 86 6.023 -5.806 -2.452 1.00 0.00 N ATOM 1307 CA PHE A 86 5.124 -6.277 -3.499 1.00 0.00 C ATOM 1308 C PHE A 86 4.311 -5.098 -4.013 1.00 0.00 C ATOM 1309 O PHE A 86 4.144 -4.101 -3.304 1.00 0.00 O ATOM 1310 CB PHE A 86 4.233 -7.400 -2.974 1.00 0.00 C ATOM 1311 CG PHE A 86 5.039 -8.595 -2.529 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.518 -8.651 -1.209 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.342 -9.622 -3.440 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.365 -9.701 -0.820 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.170 -10.684 -3.042 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.703 -10.708 -1.742 1.00 0.00 C ATOM 0 H PHE A 86 5.546 -5.270 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 86 5.698 -6.692 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.638 -7.031 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.534 -7.703 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.236 -7.890 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.940 -9.594 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.757 -9.735 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.397 -11.481 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.374 -11.502 -1.450 1.00 0.00 H new ATOM 1326 N LEU A 87 3.803 -5.211 -5.239 1.00 0.00 N ATOM 1327 CA LEU A 87 3.012 -4.188 -5.905 1.00 0.00 C ATOM 1328 C LEU A 87 1.641 -4.766 -6.205 1.00 0.00 C ATOM 1329 O LEU A 87 1.535 -5.778 -6.898 1.00 0.00 O ATOM 1330 CB LEU A 87 3.668 -3.731 -7.224 1.00 0.00 C ATOM 1331 CG LEU A 87 5.145 -3.323 -7.147 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.613 -2.776 -8.497 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.387 -2.258 -6.077 1.00 0.00 C ATOM 0 H LEU A 87 3.937 -6.045 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 87 2.939 -3.320 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.574 -4.539 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.100 -2.886 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 87 5.710 -4.217 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.663 -2.490 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.495 -3.544 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.016 -1.904 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.445 -1.998 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.799 -1.370 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.089 -2.646 -5.103 1.00 0.00 H new ATOM 1345 N LEU A 88 0.591 -4.143 -5.674 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.774 -4.599 -5.922 1.00 0.00 C ATOM 1347 C LEU A 88 -1.126 -4.107 -7.326 1.00 0.00 C ATOM 1348 O LEU A 88 -1.652 -3.001 -7.484 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.739 -4.067 -4.853 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.142 -4.697 -4.987 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.156 -6.076 -4.330 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -4.221 -3.835 -4.331 1.00 0.00 C ATOM 0 H LEU A 88 0.659 -3.323 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.858 -5.684 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.338 -4.280 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.817 -2.983 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.360 -4.775 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.149 -6.516 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.424 -6.719 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.905 -5.978 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.192 -4.316 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.999 -3.720 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.242 -2.854 -4.806 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.805 -4.882 -8.356 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.040 -4.555 -9.753 1.00 0.00 C ATOM 1366 C GLU A 89 -2.496 -4.236 -10.086 1.00 0.00 C ATOM 1367 O GLU A 89 -2.759 -3.365 -10.922 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.518 -5.701 -10.616 1.00 0.00 C ATOM 1369 CG GLU A 89 -1.226 -7.050 -10.422 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.634 -8.116 -11.339 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.451 -7.836 -12.546 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.348 -9.228 -10.837 1.00 0.00 O ATOM 0 H GLU A 89 -0.357 -5.790 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.499 -3.633 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.604 -5.412 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.544 -5.834 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.134 -7.367 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.291 -6.939 -10.628 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.447 -4.892 -9.415 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.866 -4.657 -9.667 1.00 0.00 C ATOM 1381 C ASP A 90 -5.282 -3.249 -9.220 1.00 0.00 C ATOM 1382 O ASP A 90 -6.252 -2.680 -9.727 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.726 -5.736 -9.008 1.00 0.00 C ATOM 1384 CG ASP A 90 -7.142 -5.704 -9.581 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -7.312 -5.530 -10.810 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -8.117 -5.889 -8.827 1.00 0.00 O ATOM 0 H ASP A 90 -3.257 -5.589 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.032 -4.718 -10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.281 -6.717 -9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.758 -5.578 -7.930 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.461 -2.620 -8.376 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.666 -1.291 -7.841 1.00 0.00 C ATOM 1393 C GLY A 91 -5.476 -1.347 -6.561 1.00 0.00 C ATOM 1394 O GLY A 91 -6.166 -2.333 -6.304 1.00 0.00 O ATOM 0 H GLY A 91 -3.600 -3.050 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.703 -0.819 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.181 -0.673 -8.576 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.402 -0.288 -5.748 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.161 -0.198 -4.494 1.00 0.00 C ATOM 1400 C ILE A 92 -7.664 -0.264 -4.818 1.00 0.00 C ATOM 1401 O ILE A 92 -8.490 -0.645 -3.996 1.00 0.00 O ATOM 1402 CB ILE A 92 -5.715 1.056 -3.718 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.081 1.002 -2.219 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.137 2.358 -4.415 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.450 1.551 -1.794 1.00 0.00 C ATOM 0 H ILE A 92 -4.818 0.527 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.959 -1.039 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.625 1.058 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.023 -0.038 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.316 1.549 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.799 3.211 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.690 2.401 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.223 2.387 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.565 1.446 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.520 2.604 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.238 0.993 -2.299 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.009 0.053 -6.064 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.338 0.023 -6.647 1.00 0.00 C ATOM 1419 C ASP A 93 -9.904 -1.396 -6.426 1.00 0.00 C ATOM 1420 O ASP A 93 -11.045 -1.572 -5.998 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.171 0.377 -8.139 1.00 0.00 C ATOM 1422 CG ASP A 93 -8.997 1.878 -8.416 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.555 2.634 -7.520 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -9.272 2.327 -9.552 1.00 0.00 O ATOM 0 H ASP A 93 -7.309 0.360 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.034 0.732 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.305 -0.156 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.043 0.017 -8.686 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.065 -2.422 -6.628 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.395 -3.830 -6.465 1.00 0.00 C ATOM 1431 C GLY A 94 -9.587 -4.261 -5.008 1.00 0.00 C ATOM 1432 O GLY A 94 -10.035 -5.382 -4.769 1.00 0.00 O ATOM 0 H GLY A 94 -8.099 -2.279 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.308 -4.045 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.603 -4.432 -6.910 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.223 -3.431 -4.024 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.390 -3.735 -2.603 1.00 0.00 C ATOM 1438 C TRP A 95 -10.893 -3.769 -2.313 1.00 0.00 C ATOM 1439 O TRP A 95 -11.432 -4.729 -1.760 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.659 -2.698 -1.736 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.510 -3.081 -0.297 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.397 -2.834 0.695 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.394 -3.783 0.333 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.906 -3.332 1.886 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.683 -3.945 1.720 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.146 -4.263 -0.121 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.802 -4.588 2.605 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.237 -4.865 0.771 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.565 -5.041 2.126 1.00 0.00 C ATOM 0 H TRP A 95 -8.799 -2.519 -4.197 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.950 -4.702 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.668 -2.526 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.198 -1.752 -1.792 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.342 -2.326 0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.390 -3.255 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.885 -4.167 -1.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.074 -4.731 3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.275 -5.196 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.867 -5.523 2.795 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.584 -2.707 -2.743 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.020 -2.552 -2.564 1.00 0.00 C ATOM 1462 C LYS A 96 -13.773 -3.690 -3.246 1.00 0.00 C ATOM 1463 O LYS A 96 -14.663 -4.278 -2.637 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.475 -1.184 -3.104 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.927 -0.012 -2.268 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.252 1.371 -2.855 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.761 1.611 -2.967 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.083 3.017 -3.287 1.00 0.00 N ATOM 0 H LYS A 96 -11.149 -1.924 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.248 -2.594 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.145 -1.076 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.564 -1.143 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.336 -0.074 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.845 -0.115 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.808 2.144 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.797 1.461 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.174 0.961 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.241 1.335 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.050 3.074 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.013 3.594 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.412 3.374 -3.997 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.391 -4.012 -4.484 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.981 -5.055 -5.317 1.00 0.00 C ATOM 1484 C LYS A 97 -14.087 -6.382 -4.575 1.00 0.00 C ATOM 1485 O LYS A 97 -15.180 -6.942 -4.505 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.150 -5.188 -6.603 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.603 -6.360 -7.490 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.721 -6.537 -8.730 1.00 0.00 C ATOM 1489 CE LYS A 97 -11.265 -6.855 -8.360 1.00 0.00 C ATOM 1490 NZ LYS A 97 -10.448 -7.191 -9.540 1.00 0.00 N ATOM 0 H LYS A 97 -12.625 -3.528 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.002 -4.772 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.219 -4.261 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.101 -5.323 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.589 -7.280 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.634 -6.196 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.122 -7.340 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.752 -5.627 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.827 -5.997 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.245 -7.688 -7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.582 -6.615 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.194 -8.199 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.991 -6.996 -10.405 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.982 -6.877 -4.010 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.966 -8.150 -3.289 1.00 0.00 C ATOM 1506 C ALA A 98 -13.903 -8.184 -2.079 1.00 0.00 C ATOM 1507 O ALA A 98 -14.191 -9.266 -1.561 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.548 -8.436 -2.809 1.00 0.00 C ATOM 0 H ALA A 98 -12.077 -6.407 -4.040 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.318 -8.906 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.530 -9.384 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.878 -8.493 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.220 -7.636 -2.145 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.366 -7.024 -1.609 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.261 -6.924 -0.466 1.00 0.00 C ATOM 1516 C GLY A 99 -14.522 -6.583 0.821 1.00 0.00 C ATOM 1517 O GLY A 99 -15.111 -6.656 1.903 1.00 0.00 O ATOM 0 H GLY A 99 -14.125 -6.122 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.014 -6.161 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.790 -7.868 -0.339 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.227 -6.271 0.740 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.445 -5.915 1.913 1.00 0.00 C ATOM 1523 C LEU A 100 -12.973 -4.575 2.454 1.00 0.00 C ATOM 1524 O LEU A 100 -13.571 -3.801 1.694 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.959 -5.831 1.550 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.322 -7.161 1.111 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.910 -6.923 0.581 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.244 -8.140 2.285 1.00 0.00 C ATOM 0 H LEU A 100 -12.700 -6.259 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.544 -6.676 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.837 -5.104 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.411 -5.449 2.411 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.948 -7.585 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.472 -7.873 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.951 -6.249 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.298 -6.477 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.790 -9.073 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.638 -7.706 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.248 -8.339 2.660 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.808 -4.297 3.755 1.00 0.00 N ATOM 1541 CA PRO A 101 -13.273 -3.063 4.366 1.00 0.00 C ATOM 1542 C PRO A 101 -12.413 -1.867 3.937 1.00 0.00 C ATOM 1543 O PRO A 101 -11.363 -2.004 3.306 1.00 0.00 O ATOM 1544 CB PRO A 101 -13.226 -3.318 5.877 1.00 0.00 C ATOM 1545 CG PRO A 101 -12.127 -4.363 6.043 1.00 0.00 C ATOM 1546 CD PRO A 101 -12.132 -5.140 4.725 1.00 0.00 C ATOM 0 HA PRO A 101 -14.283 -2.802 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.996 -2.406 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.183 -3.683 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.159 -3.895 6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.328 -5.018 6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.115 -5.365 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.648 -6.093 4.838 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.889 -0.670 4.276 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.249 0.606 3.988 1.00 0.00 C ATOM 1556 C VAL A 102 -12.625 1.588 5.105 1.00 0.00 C ATOM 1557 O VAL A 102 -13.549 1.346 5.881 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.652 1.145 2.590 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.767 0.591 1.464 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.123 0.886 2.236 1.00 0.00 C ATOM 0 H VAL A 102 -13.769 -0.562 4.780 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.167 0.478 3.960 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.502 2.222 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.094 1.002 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.730 0.873 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.848 -0.496 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.335 1.289 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.315 -0.187 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.765 1.372 2.971 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.910 2.703 5.182 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.028 3.810 6.118 1.00 0.00 C ATOM 1572 C ALA A 103 -13.167 4.745 5.703 1.00 0.00 C ATOM 1573 O ALA A 103 -12.961 5.935 5.474 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.677 4.536 6.163 1.00 0.00 C ATOM 0 H ALA A 103 -11.153 2.870 4.519 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.273 3.446 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.737 5.373 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.903 3.844 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.431 4.908 5.169 1.00 0.00 H new