USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 762 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 63 CYS SG : rot -148:sc= 1.04 USER MOD Set 1.2: A 69 THR OG1 : rot -79:sc= 0.451 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.013 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.19) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 58 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.026) USER MOD Single : A 62 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-5.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.00055) USER MOD Single : A 72 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.025) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.343) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 12.177 -6.645 -5.473 1.00 0.00 N ATOM 12 CA LEU A 2 11.468 -6.724 -4.229 1.00 0.00 C ATOM 13 C LEU A 2 10.748 -8.063 -4.235 1.00 0.00 C ATOM 14 O LEU A 2 11.380 -9.114 -4.287 1.00 0.00 O ATOM 15 CB LEU A 2 10.578 -5.470 -4.027 1.00 0.00 C ATOM 16 CG LEU A 2 9.645 -4.946 -5.152 1.00 0.00 C ATOM 17 CD1 LEU A 2 8.797 -3.797 -4.597 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.363 -4.378 -6.386 1.00 0.00 C ATOM 0 HA LEU A 2 12.120 -6.704 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.948 -5.665 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.244 -4.649 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 2 9.072 -5.817 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.137 -3.421 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.199 -4.158 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.451 -2.994 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.625 -4.039 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.990 -3.538 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.984 -5.153 -6.835 1.00 0.00 H new ATOM 30 N THR A 3 9.429 -8.042 -4.194 1.00 0.00 N ATOM 31 CA THR A 3 8.570 -9.215 -4.178 1.00 0.00 C ATOM 32 C THR A 3 7.187 -8.773 -4.684 1.00 0.00 C ATOM 33 O THR A 3 6.854 -7.587 -4.611 1.00 0.00 O ATOM 34 CB THR A 3 8.512 -9.781 -2.734 1.00 0.00 C ATOM 35 OG1 THR A 3 9.786 -9.848 -2.108 1.00 0.00 O ATOM 36 CG2 THR A 3 7.928 -11.196 -2.683 1.00 0.00 C ATOM 0 H THR A 3 8.902 -7.169 -4.170 1.00 0.00 H new ATOM 0 HA THR A 3 8.947 -10.010 -4.821 1.00 0.00 H new ATOM 0 HB THR A 3 7.870 -9.077 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.687 -10.210 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.910 -11.545 -1.651 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.913 -11.185 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.545 -11.866 -3.282 1.00 0.00 H new ATOM 44 N THR A 4 6.375 -9.706 -5.168 1.00 0.00 N ATOM 45 CA THR A 4 5.024 -9.505 -5.678 1.00 0.00 C ATOM 46 C THR A 4 4.140 -10.500 -4.913 1.00 0.00 C ATOM 47 O THR A 4 4.609 -11.583 -4.544 1.00 0.00 O ATOM 48 CB THR A 4 4.985 -9.651 -7.221 1.00 0.00 C ATOM 49 OG1 THR A 4 6.192 -10.152 -7.778 1.00 0.00 O ATOM 50 CG2 THR A 4 4.768 -8.294 -7.892 1.00 0.00 C ATOM 0 H THR A 4 6.661 -10.684 -5.218 1.00 0.00 H new ATOM 0 HA THR A 4 4.650 -8.495 -5.509 1.00 0.00 H new ATOM 0 HB THR A 4 4.169 -10.351 -7.404 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.099 -10.221 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.744 -8.423 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.822 -7.869 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.583 -7.621 -7.624 1.00 0.00 H new ATOM 58 N ILE A 5 2.885 -10.154 -4.615 1.00 0.00 N ATOM 59 CA ILE A 5 1.994 -11.031 -3.860 1.00 0.00 C ATOM 60 C ILE A 5 0.541 -10.840 -4.282 1.00 0.00 C ATOM 61 O ILE A 5 0.044 -9.718 -4.422 1.00 0.00 O ATOM 62 CB ILE A 5 2.227 -10.836 -2.335 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.209 -11.620 -1.485 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.288 -9.350 -1.908 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.655 -11.751 -0.027 1.00 0.00 C ATOM 0 H ILE A 5 2.463 -9.266 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 5 2.230 -12.070 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 5 3.215 -11.254 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.242 -11.118 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.070 -12.613 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.453 -9.287 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.107 -8.855 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.348 -8.860 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.906 -12.311 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.609 -12.277 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.768 -10.759 0.409 1.00 0.00 H new ATOM 77 N SER A 6 -0.138 -11.974 -4.441 1.00 0.00 N ATOM 78 CA SER A 6 -1.527 -12.064 -4.823 1.00 0.00 C ATOM 79 C SER A 6 -2.418 -11.393 -3.774 1.00 0.00 C ATOM 80 O SER A 6 -2.054 -11.297 -2.595 1.00 0.00 O ATOM 81 CB SER A 6 -1.904 -13.548 -4.920 1.00 0.00 C ATOM 82 OG SER A 6 -0.919 -14.274 -5.629 1.00 0.00 O ATOM 0 H SER A 6 0.292 -12.888 -4.299 1.00 0.00 H new ATOM 0 HA SER A 6 -1.672 -11.561 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.018 -13.964 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.867 -13.651 -5.420 1.00 0.00 H new ATOM 0 HG SER A 6 -1.179 -15.218 -5.677 1.00 0.00 H new ATOM 88 N PRO A 7 -3.607 -10.930 -4.173 1.00 0.00 N ATOM 89 CA PRO A 7 -4.518 -10.311 -3.238 1.00 0.00 C ATOM 90 C PRO A 7 -5.085 -11.407 -2.342 1.00 0.00 C ATOM 91 O PRO A 7 -5.099 -12.575 -2.730 1.00 0.00 O ATOM 92 CB PRO A 7 -5.581 -9.668 -4.113 1.00 0.00 C ATOM 93 CG PRO A 7 -5.617 -10.541 -5.364 1.00 0.00 C ATOM 94 CD PRO A 7 -4.170 -10.983 -5.511 1.00 0.00 C ATOM 0 HA PRO A 7 -4.064 -9.566 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.549 -9.649 -3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.327 -8.636 -4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.289 -11.391 -5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.960 -9.984 -6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.108 -11.990 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.627 -10.327 -6.191 1.00 0.00 H new ATOM 102 N HIS A 8 -5.615 -11.024 -1.182 1.00 0.00 N ATOM 103 CA HIS A 8 -6.202 -11.888 -0.157 1.00 0.00 C ATOM 104 C HIS A 8 -5.067 -12.490 0.683 1.00 0.00 C ATOM 105 O HIS A 8 -5.172 -12.507 1.907 1.00 0.00 O ATOM 106 CB HIS A 8 -7.135 -12.959 -0.761 1.00 0.00 C ATOM 107 CG HIS A 8 -8.328 -13.377 0.060 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.562 -13.672 -0.472 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.391 -13.614 1.406 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.361 -14.072 0.522 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.686 -14.076 1.686 1.00 0.00 N ATOM 0 H HIS A 8 -5.649 -10.040 -0.915 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.844 -11.295 0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.498 -12.589 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.539 -13.848 -0.968 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.593 -13.472 2.120 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.398 -14.351 0.408 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.046 -14.360 2.597 1.00 0.00 H new ATOM 119 N ASP A 9 -3.959 -12.940 0.082 1.00 0.00 N ATOM 120 CA ASP A 9 -2.824 -13.518 0.817 1.00 0.00 C ATOM 121 C ASP A 9 -2.217 -12.452 1.725 1.00 0.00 C ATOM 122 O ASP A 9 -2.040 -12.660 2.930 1.00 0.00 O ATOM 123 CB ASP A 9 -1.764 -14.067 -0.155 1.00 0.00 C ATOM 124 CG ASP A 9 -2.134 -15.476 -0.613 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.458 -15.631 -1.811 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.095 -16.421 0.207 1.00 0.00 O ATOM 0 H ASP A 9 -3.823 -12.914 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.180 -14.350 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.679 -13.408 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.789 -14.081 0.332 1.00 0.00 H new ATOM 131 N ALA A 10 -1.955 -11.268 1.163 1.00 0.00 N ATOM 132 CA ALA A 10 -1.377 -10.157 1.905 1.00 0.00 C ATOM 133 C ALA A 10 -2.303 -9.585 2.976 1.00 0.00 C ATOM 134 O ALA A 10 -1.854 -8.754 3.756 1.00 0.00 O ATOM 135 CB ALA A 10 -0.918 -9.068 0.929 1.00 0.00 C ATOM 0 H ALA A 10 -2.139 -11.059 0.182 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.518 -10.550 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.486 -8.238 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.169 -9.479 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.772 -8.712 0.353 1.00 0.00 H new ATOM 141 N GLN A 11 -3.587 -9.949 3.009 1.00 0.00 N ATOM 142 CA GLN A 11 -4.509 -9.457 4.021 1.00 0.00 C ATOM 143 C GLN A 11 -4.140 -10.050 5.385 1.00 0.00 C ATOM 144 O GLN A 11 -4.430 -9.438 6.409 1.00 0.00 O ATOM 145 CB GLN A 11 -5.913 -9.941 3.635 1.00 0.00 C ATOM 146 CG GLN A 11 -7.058 -9.449 4.532 1.00 0.00 C ATOM 147 CD GLN A 11 -8.375 -10.161 4.215 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.391 -11.213 3.581 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.509 -9.634 4.644 1.00 0.00 N ATOM 0 H GLN A 11 -4.010 -10.589 2.337 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.467 -8.369 4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.117 -9.626 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.915 -11.031 3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.798 -9.615 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.185 -8.374 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.498 -8.761 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.395 -10.101 4.448 1.00 0.00 H new ATOM 158 N GLU A 12 -3.513 -11.231 5.400 1.00 0.00 N ATOM 159 CA GLU A 12 -3.152 -11.915 6.610 1.00 0.00 C ATOM 160 C GLU A 12 -1.990 -11.199 7.260 1.00 0.00 C ATOM 161 O GLU A 12 -2.173 -10.595 8.310 1.00 0.00 O ATOM 162 CB GLU A 12 -2.910 -13.393 6.270 1.00 0.00 C ATOM 163 CG GLU A 12 -2.601 -14.156 7.552 1.00 0.00 C ATOM 164 CD GLU A 12 -2.729 -15.672 7.396 1.00 0.00 C ATOM 165 OE1 GLU A 12 -3.727 -16.244 7.899 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.789 -16.316 6.870 1.00 0.00 O ATOM 0 H GLU A 12 -3.246 -11.731 4.552 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.946 -11.900 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.789 -13.816 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.081 -13.486 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.589 -13.915 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.276 -13.820 8.339 1.00 0.00 H new ATOM 173 N LEU A 13 -0.822 -11.202 6.614 1.00 0.00 N ATOM 174 CA LEU A 13 0.397 -10.575 7.118 1.00 0.00 C ATOM 175 C LEU A 13 0.185 -9.142 7.624 1.00 0.00 C ATOM 176 O LEU A 13 0.782 -8.726 8.616 1.00 0.00 O ATOM 177 CB LEU A 13 1.548 -10.729 6.104 1.00 0.00 C ATOM 178 CG LEU A 13 1.246 -10.255 4.672 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.378 -8.753 4.462 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.180 -10.924 3.664 1.00 0.00 C ATOM 0 H LEU A 13 -0.697 -11.651 5.707 1.00 0.00 H new ATOM 0 HA LEU A 13 0.699 -11.115 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.411 -10.176 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.835 -11.780 6.066 1.00 0.00 H new ATOM 0 HG LEU A 13 0.204 -10.536 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.147 -8.509 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.684 -8.231 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.398 -8.442 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.945 -10.571 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.213 -10.674 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.049 -12.005 3.708 1.00 0.00 H new ATOM 192 N ILE A 14 -0.725 -8.396 7.007 1.00 0.00 N ATOM 193 CA ILE A 14 -1.037 -7.030 7.393 1.00 0.00 C ATOM 194 C ILE A 14 -1.729 -7.016 8.747 1.00 0.00 C ATOM 195 O ILE A 14 -1.385 -6.205 9.607 1.00 0.00 O ATOM 196 CB ILE A 14 -1.822 -6.385 6.235 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.986 -5.231 5.663 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.299 -6.050 6.501 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.215 -5.129 4.165 1.00 0.00 C ATOM 0 H ILE A 14 -1.273 -8.730 6.214 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.145 -6.421 7.544 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.952 -7.149 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.261 -4.294 6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.071 -5.398 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.737 -5.602 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.840 -6.963 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.369 -5.348 7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.621 -4.309 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.918 -6.063 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.271 -4.942 3.970 1.00 0.00 H new ATOM 211 N ALA A 15 -2.706 -7.900 8.959 1.00 0.00 N ATOM 212 CA ALA A 15 -3.408 -7.985 10.225 1.00 0.00 C ATOM 213 C ALA A 15 -2.423 -8.393 11.325 1.00 0.00 C ATOM 214 O ALA A 15 -2.624 -8.029 12.484 1.00 0.00 O ATOM 215 CB ALA A 15 -4.556 -8.986 10.113 1.00 0.00 C ATOM 0 H ALA A 15 -3.025 -8.569 8.259 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.830 -7.014 10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.080 -9.046 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.249 -8.659 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.159 -9.968 9.855 1.00 0.00 H new ATOM 221 N ARG A 16 -1.359 -9.121 10.957 1.00 0.00 N ATOM 222 CA ARG A 16 -0.332 -9.572 11.897 1.00 0.00 C ATOM 223 C ARG A 16 0.446 -8.370 12.407 1.00 0.00 C ATOM 224 O ARG A 16 0.510 -8.148 13.616 1.00 0.00 O ATOM 225 CB ARG A 16 0.631 -10.588 11.277 1.00 0.00 C ATOM 226 CG ARG A 16 -0.079 -11.777 10.635 1.00 0.00 C ATOM 227 CD ARG A 16 -0.823 -12.626 11.659 1.00 0.00 C ATOM 228 NE ARG A 16 -1.245 -13.913 11.091 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.239 -14.665 11.568 1.00 0.00 C ATOM 230 NH1 ARG A 16 -2.942 -14.281 12.630 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.530 -15.813 10.976 1.00 0.00 N ATOM 0 H ARG A 16 -1.189 -9.413 9.994 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.840 -10.075 12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.241 -10.088 10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.310 -10.952 12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.783 -11.416 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.652 -12.396 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.181 -12.802 12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.697 -12.082 12.017 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.742 -14.257 10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.725 -13.399 13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.698 -14.869 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.996 -16.117 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.288 -16.394 11.334 1.00 0.00 H new ATOM 245 N GLY A 17 1.004 -7.592 11.479 1.00 0.00 N ATOM 246 CA GLY A 17 1.788 -6.411 11.791 1.00 0.00 C ATOM 247 C GLY A 17 2.422 -5.750 10.570 1.00 0.00 C ATOM 248 O GLY A 17 2.925 -4.638 10.715 1.00 0.00 O ATOM 0 H GLY A 17 0.919 -7.772 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.149 -5.685 12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.575 -6.684 12.494 1.00 0.00 H new ATOM 252 N ALA A 18 2.422 -6.378 9.383 1.00 0.00 N ATOM 253 CA ALA A 18 3.015 -5.755 8.202 1.00 0.00 C ATOM 254 C ALA A 18 2.278 -4.448 7.886 1.00 0.00 C ATOM 255 O ALA A 18 1.077 -4.320 8.147 1.00 0.00 O ATOM 256 CB ALA A 18 2.998 -6.710 7.004 1.00 0.00 C ATOM 0 H ALA A 18 2.023 -7.303 9.222 1.00 0.00 H new ATOM 0 HA ALA A 18 4.060 -5.525 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.446 -6.218 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.567 -7.608 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.969 -6.985 6.772 1.00 0.00 H new ATOM 262 N LYS A 19 2.986 -3.473 7.314 1.00 0.00 N ATOM 263 CA LYS A 19 2.420 -2.165 6.972 1.00 0.00 C ATOM 264 C LYS A 19 2.333 -1.968 5.473 1.00 0.00 C ATOM 265 O LYS A 19 3.070 -2.591 4.711 1.00 0.00 O ATOM 266 CB LYS A 19 3.325 -1.045 7.541 1.00 0.00 C ATOM 267 CG LYS A 19 3.119 -0.585 8.997 1.00 0.00 C ATOM 268 CD LYS A 19 2.198 -1.416 9.894 1.00 0.00 C ATOM 269 CE LYS A 19 0.725 -1.013 9.808 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.057 -1.667 10.869 1.00 0.00 N ATOM 0 H LYS A 19 3.973 -3.568 7.073 1.00 0.00 H new ATOM 0 HA LYS A 19 1.418 -2.122 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.359 -1.376 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.209 -0.171 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.098 -0.541 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.731 0.433 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.294 -2.467 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.531 -1.322 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.633 0.070 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.324 -1.288 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.057 -1.712 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.303 -2.631 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.029 -1.121 11.750 1.00 0.00 H new ATOM 284 N LEU A 20 1.462 -1.059 5.057 1.00 0.00 N ATOM 285 CA LEU A 20 1.284 -0.685 3.665 1.00 0.00 C ATOM 286 C LEU A 20 1.481 0.820 3.611 1.00 0.00 C ATOM 287 O LEU A 20 1.112 1.546 4.543 1.00 0.00 O ATOM 288 CB LEU A 20 -0.086 -1.087 3.098 1.00 0.00 C ATOM 289 CG LEU A 20 -0.209 -0.921 1.574 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.587 -2.030 0.924 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.656 -0.983 1.089 1.00 0.00 C ATOM 0 H LEU A 20 0.847 -0.551 5.693 1.00 0.00 H new ATOM 0 HA LEU A 20 2.004 -1.216 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.283 -2.128 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.857 -0.487 3.581 1.00 0.00 H new ATOM 0 HG LEU A 20 0.172 0.064 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.519 -1.939 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.631 -1.956 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.186 -2.995 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.682 -0.860 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.088 -1.948 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.232 -0.186 1.559 1.00 0.00 H new ATOM 303 N ILE A 21 2.057 1.299 2.517 1.00 0.00 N ATOM 304 CA ILE A 21 2.321 2.707 2.311 1.00 0.00 C ATOM 305 C ILE A 21 1.407 3.138 1.174 1.00 0.00 C ATOM 306 O ILE A 21 1.455 2.572 0.079 1.00 0.00 O ATOM 307 CB ILE A 21 3.821 2.941 2.036 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.761 2.103 2.929 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.167 4.429 2.181 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.599 2.324 4.435 1.00 0.00 C ATOM 0 H ILE A 21 2.356 0.709 1.741 1.00 0.00 H new ATOM 0 HA ILE A 21 2.108 3.312 3.192 1.00 0.00 H new ATOM 0 HB ILE A 21 3.987 2.610 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.595 1.048 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.792 2.327 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.229 4.577 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.581 5.010 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.937 4.759 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.303 1.690 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.797 3.369 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.582 2.070 4.733 1.00 0.00 H new ATOM 322 N ASP A 22 0.513 4.077 1.473 1.00 0.00 N ATOM 323 CA ASP A 22 -0.450 4.654 0.547 1.00 0.00 C ATOM 324 C ASP A 22 0.381 5.677 -0.230 1.00 0.00 C ATOM 325 O ASP A 22 0.496 6.840 0.162 1.00 0.00 O ATOM 326 CB ASP A 22 -1.607 5.234 1.388 1.00 0.00 C ATOM 327 CG ASP A 22 -2.723 6.003 0.683 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.853 6.017 1.233 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.487 6.634 -0.364 1.00 0.00 O ATOM 0 H ASP A 22 0.439 4.472 2.410 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.927 3.975 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.068 4.407 1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.171 5.898 2.134 1.00 0.00 H new ATOM 334 N ILE A 23 1.017 5.195 -1.306 1.00 0.00 N ATOM 335 CA ILE A 23 1.900 5.925 -2.222 1.00 0.00 C ATOM 336 C ILE A 23 1.166 6.353 -3.504 1.00 0.00 C ATOM 337 O ILE A 23 1.695 6.238 -4.614 1.00 0.00 O ATOM 338 CB ILE A 23 3.122 5.042 -2.571 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.709 3.712 -3.252 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.023 4.732 -1.372 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.499 3.508 -4.538 1.00 0.00 C ATOM 0 H ILE A 23 0.921 4.216 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 23 2.233 6.834 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 23 3.698 5.645 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.885 2.878 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.641 3.724 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.857 4.109 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.406 5.663 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.448 4.203 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.198 2.570 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.301 4.334 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.564 3.474 -4.309 1.00 0.00 H new ATOM 353 N ARG A 24 -0.083 6.786 -3.396 1.00 0.00 N ATOM 354 CA ARG A 24 -0.907 7.210 -4.523 1.00 0.00 C ATOM 355 C ARG A 24 -1.082 8.718 -4.443 1.00 0.00 C ATOM 356 O ARG A 24 -0.217 9.425 -4.961 1.00 0.00 O ATOM 357 CB ARG A 24 -2.195 6.366 -4.634 1.00 0.00 C ATOM 358 CG ARG A 24 -2.751 5.977 -3.268 1.00 0.00 C ATOM 359 CD ARG A 24 -4.143 5.346 -3.228 1.00 0.00 C ATOM 360 NE ARG A 24 -4.702 5.610 -1.897 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.776 5.077 -1.302 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.443 4.053 -1.827 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.175 5.588 -0.147 1.00 0.00 N ATOM 0 H ARG A 24 -0.565 6.854 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.419 7.014 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.949 6.929 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.987 5.464 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.052 5.280 -2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.769 6.871 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.780 5.771 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.085 4.274 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.197 6.302 -1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.140 3.647 -2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.257 3.673 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.667 6.369 0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.991 5.201 0.328 1.00 0.00 H new ATOM 377 N ASP A 25 -2.172 9.213 -3.871 1.00 0.00 N ATOM 378 CA ASP A 25 -2.441 10.633 -3.736 1.00 0.00 C ATOM 379 C ASP A 25 -3.495 10.825 -2.651 1.00 0.00 C ATOM 380 O ASP A 25 -4.321 9.935 -2.421 1.00 0.00 O ATOM 381 CB ASP A 25 -2.976 11.136 -5.070 1.00 0.00 C ATOM 382 CG ASP A 25 -3.209 12.640 -5.083 1.00 0.00 C ATOM 383 OD1 ASP A 25 -2.218 13.400 -5.227 1.00 0.00 O ATOM 384 OD2 ASP A 25 -4.381 13.056 -4.975 1.00 0.00 O ATOM 0 H ASP A 25 -2.907 8.624 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.539 11.182 -3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.272 10.875 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.912 10.626 -5.296 1.00 0.00 H new ATOM 389 N ALA A 26 -3.487 11.995 -2.017 1.00 0.00 N ATOM 390 CA ALA A 26 -4.405 12.357 -0.945 1.00 0.00 C ATOM 391 C ALA A 26 -5.872 12.389 -1.387 1.00 0.00 C ATOM 392 O ALA A 26 -6.754 12.136 -0.563 1.00 0.00 O ATOM 393 CB ALA A 26 -4.004 13.726 -0.386 1.00 0.00 C ATOM 0 H ALA A 26 -2.823 12.736 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.329 11.584 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.686 14.005 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.987 13.677 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.054 14.472 -1.179 1.00 0.00 H new ATOM 399 N ASP A 27 -6.150 12.694 -2.658 1.00 0.00 N ATOM 400 CA ASP A 27 -7.519 12.757 -3.166 1.00 0.00 C ATOM 401 C ASP A 27 -8.172 11.382 -3.230 1.00 0.00 C ATOM 402 O ASP A 27 -9.394 11.277 -3.193 1.00 0.00 O ATOM 403 CB ASP A 27 -7.554 13.391 -4.559 1.00 0.00 C ATOM 404 CG ASP A 27 -8.934 13.973 -4.832 1.00 0.00 C ATOM 405 OD1 ASP A 27 -9.756 13.384 -5.572 1.00 0.00 O ATOM 406 OD2 ASP A 27 -9.189 15.081 -4.303 1.00 0.00 O ATOM 0 H ASP A 27 -5.437 12.902 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.082 13.373 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.799 14.174 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.310 12.644 -5.314 1.00 0.00 H new ATOM 411 N GLU A 28 -7.370 10.319 -3.324 1.00 0.00 N ATOM 412 CA GLU A 28 -7.891 8.963 -3.389 1.00 0.00 C ATOM 413 C GLU A 28 -8.428 8.573 -2.017 1.00 0.00 C ATOM 414 O GLU A 28 -9.552 8.072 -1.927 1.00 0.00 O ATOM 415 CB GLU A 28 -6.811 7.978 -3.863 1.00 0.00 C ATOM 416 CG GLU A 28 -6.124 8.402 -5.167 1.00 0.00 C ATOM 417 CD GLU A 28 -7.076 8.687 -6.333 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.684 9.444 -7.249 1.00 0.00 O ATOM 419 OE2 GLU A 28 -8.181 8.111 -6.417 1.00 0.00 O ATOM 0 H GLU A 28 -6.352 10.378 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.701 8.922 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.058 7.874 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.263 6.996 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.531 9.296 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.430 7.617 -5.467 1.00 0.00 H new ATOM 426 N TYR A 29 -7.637 8.825 -0.962 1.00 0.00 N ATOM 427 CA TYR A 29 -7.991 8.517 0.422 1.00 0.00 C ATOM 428 C TYR A 29 -9.326 9.162 0.813 1.00 0.00 C ATOM 429 O TYR A 29 -10.039 8.660 1.684 1.00 0.00 O ATOM 430 CB TYR A 29 -6.868 8.972 1.369 1.00 0.00 C ATOM 431 CG TYR A 29 -7.097 8.559 2.815 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.643 7.310 3.273 1.00 0.00 C ATOM 433 CD2 TYR A 29 -7.810 9.397 3.694 1.00 0.00 C ATOM 434 CE1 TYR A 29 -6.907 6.891 4.590 1.00 0.00 C ATOM 435 CE2 TYR A 29 -8.092 8.975 5.007 1.00 0.00 C ATOM 436 CZ TYR A 29 -7.633 7.721 5.469 1.00 0.00 C ATOM 437 OH TYR A 29 -7.925 7.309 6.737 1.00 0.00 O ATOM 0 H TYR A 29 -6.718 9.257 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.110 7.437 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.921 8.556 1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.777 10.057 1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.087 6.666 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.142 10.369 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.552 5.929 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.663 9.613 5.665 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.430 8.010 7.200 1.00 0.00 H new ATOM 447 N LEU A 30 -9.669 10.287 0.181 1.00 0.00 N ATOM 448 CA LEU A 30 -10.890 11.021 0.433 1.00 0.00 C ATOM 449 C LEU A 30 -12.135 10.182 0.161 1.00 0.00 C ATOM 450 O LEU A 30 -13.091 10.253 0.942 1.00 0.00 O ATOM 451 CB LEU A 30 -10.866 12.313 -0.394 1.00 0.00 C ATOM 452 CG LEU A 30 -11.951 13.296 0.071 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.423 14.730 -0.014 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.233 13.167 -0.764 1.00 0.00 C ATOM 0 H LEU A 30 -9.084 10.715 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.942 11.276 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.886 12.783 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.015 12.075 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.199 13.052 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.197 15.423 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.546 14.833 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.150 14.957 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.975 13.879 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.008 13.375 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.627 12.155 -0.672 1.00 0.00 H new ATOM 466 N ARG A 31 -12.158 9.401 -0.924 1.00 0.00 N ATOM 467 CA ARG A 31 -13.324 8.583 -1.255 1.00 0.00 C ATOM 468 C ARG A 31 -13.206 7.157 -0.751 1.00 0.00 C ATOM 469 O ARG A 31 -14.227 6.624 -0.324 1.00 0.00 O ATOM 470 CB ARG A 31 -13.598 8.584 -2.764 1.00 0.00 C ATOM 471 CG ARG A 31 -14.079 9.960 -3.245 1.00 0.00 C ATOM 472 CD ARG A 31 -14.521 9.924 -4.711 1.00 0.00 C ATOM 473 NE ARG A 31 -15.789 9.205 -4.918 1.00 0.00 N ATOM 474 CZ ARG A 31 -16.220 8.706 -6.083 1.00 0.00 C ATOM 475 NH1 ARG A 31 -15.541 8.894 -7.208 1.00 0.00 N ATOM 476 NH2 ARG A 31 -17.352 8.024 -6.113 1.00 0.00 N ATOM 0 H ARG A 31 -11.385 9.320 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.167 9.043 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.691 8.306 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.350 7.831 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.909 10.293 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.277 10.689 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.626 10.945 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.741 9.450 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.390 9.076 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.672 9.428 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.888 8.505 -8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.886 7.883 -5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.692 7.638 -6.994 1.00 0.00 H new ATOM 490 N GLU A 32 -12.026 6.537 -0.787 1.00 0.00 N ATOM 491 CA GLU A 32 -11.855 5.152 -0.328 1.00 0.00 C ATOM 492 C GLU A 32 -10.487 4.932 0.303 1.00 0.00 C ATOM 493 O GLU A 32 -9.569 5.710 0.038 1.00 0.00 O ATOM 494 CB GLU A 32 -11.949 4.150 -1.496 1.00 0.00 C ATOM 495 CG GLU A 32 -13.031 4.374 -2.565 1.00 0.00 C ATOM 496 CD GLU A 32 -13.007 3.290 -3.651 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.091 2.783 -4.025 1.00 0.00 O ATOM 498 OE2 GLU A 32 -11.914 2.911 -4.135 1.00 0.00 O ATOM 0 H GLU A 32 -11.169 6.972 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.652 4.988 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.982 4.135 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.102 3.158 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.012 4.388 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.887 5.351 -3.026 1.00 0.00 H new ATOM 505 N HIS A 33 -10.310 3.854 1.081 1.00 0.00 N ATOM 506 CA HIS A 33 -9.005 3.585 1.686 1.00 0.00 C ATOM 507 C HIS A 33 -8.393 2.346 1.048 1.00 0.00 C ATOM 508 O HIS A 33 -8.327 2.306 -0.179 1.00 0.00 O ATOM 509 CB HIS A 33 -8.997 3.622 3.215 1.00 0.00 C ATOM 510 CG HIS A 33 -7.605 3.562 3.826 1.00 0.00 C ATOM 511 ND1 HIS A 33 -7.309 3.226 5.129 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.406 3.779 3.190 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.972 3.249 5.276 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.385 3.576 4.116 1.00 0.00 N ATOM 0 H HIS A 33 -11.036 3.172 1.300 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.340 4.417 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.491 4.535 3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.585 2.785 3.592 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.987 2.999 5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.278 4.058 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.447 3.035 6.195 1.00 0.00 H new ATOM 522 N ILE A 34 -7.946 1.364 1.841 1.00 0.00 N ATOM 523 CA ILE A 34 -7.290 0.160 1.356 1.00 0.00 C ATOM 524 C ILE A 34 -7.019 -0.839 2.505 1.00 0.00 C ATOM 525 O ILE A 34 -7.262 -0.483 3.665 1.00 0.00 O ATOM 526 CB ILE A 34 -5.934 0.675 0.750 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.841 0.276 -0.735 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.692 0.449 1.635 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.476 -0.128 -1.278 1.00 0.00 C ATOM 0 H ILE A 34 -8.036 1.392 2.857 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.905 -0.374 0.632 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.939 1.765 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.527 -0.554 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.204 1.114 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.809 0.838 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.823 0.966 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.565 -0.618 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.565 -0.382 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.778 0.701 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.107 -0.993 -0.727 1.00 0.00 H new ATOM 541 N PRO A 35 -6.492 -2.051 2.205 1.00 0.00 N ATOM 542 CA PRO A 35 -6.105 -3.059 3.182 1.00 0.00 C ATOM 543 C PRO A 35 -4.886 -2.541 3.963 1.00 0.00 C ATOM 544 O PRO A 35 -3.746 -2.748 3.558 1.00 0.00 O ATOM 545 CB PRO A 35 -5.839 -4.349 2.393 1.00 0.00 C ATOM 546 CG PRO A 35 -5.630 -3.926 0.938 1.00 0.00 C ATOM 547 CD PRO A 35 -6.217 -2.535 0.858 1.00 0.00 C ATOM 0 HA PRO A 35 -6.874 -3.267 3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.960 -4.866 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.678 -5.039 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.573 -3.926 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.131 -4.608 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.523 -1.863 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.134 -2.548 0.269 1.00 0.00 H new ATOM 555 N GLU A 36 -5.175 -1.853 5.066 1.00 0.00 N ATOM 556 CA GLU A 36 -4.293 -1.251 6.063 1.00 0.00 C ATOM 557 C GLU A 36 -3.043 -0.509 5.564 1.00 0.00 C ATOM 558 O GLU A 36 -1.964 -1.094 5.486 1.00 0.00 O ATOM 559 CB GLU A 36 -3.928 -2.370 7.049 1.00 0.00 C ATOM 560 CG GLU A 36 -4.022 -2.008 8.537 1.00 0.00 C ATOM 561 CD GLU A 36 -3.147 -0.867 9.062 1.00 0.00 C ATOM 562 OE1 GLU A 36 -3.164 0.245 8.490 1.00 0.00 O ATOM 563 OE2 GLU A 36 -2.594 -1.041 10.176 1.00 0.00 O ATOM 0 H GLU A 36 -6.151 -1.685 5.310 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.850 -0.432 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.581 -3.222 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.910 -2.696 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.060 -1.757 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.783 -2.902 9.113 1.00 0.00 H new ATOM 570 N ALA A 37 -3.174 0.781 5.240 1.00 0.00 N ATOM 571 CA ALA A 37 -2.074 1.626 4.784 1.00 0.00 C ATOM 572 C ALA A 37 -2.062 2.938 5.574 1.00 0.00 C ATOM 573 O ALA A 37 -2.903 3.145 6.452 1.00 0.00 O ATOM 574 CB ALA A 37 -2.203 1.922 3.291 1.00 0.00 C ATOM 0 H ALA A 37 -4.066 1.273 5.289 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.138 1.094 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.373 2.553 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.183 0.987 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.144 2.438 3.102 1.00 0.00 H new ATOM 580 N ASP A 38 -1.111 3.819 5.256 1.00 0.00 N ATOM 581 CA ASP A 38 -0.957 5.138 5.866 1.00 0.00 C ATOM 582 C ASP A 38 -0.501 6.082 4.751 1.00 0.00 C ATOM 583 O ASP A 38 0.381 5.713 3.965 1.00 0.00 O ATOM 584 CB ASP A 38 0.046 5.090 7.012 1.00 0.00 C ATOM 585 CG ASP A 38 -0.520 5.659 8.304 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.944 4.860 9.169 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.453 6.899 8.478 1.00 0.00 O ATOM 0 H ASP A 38 -0.406 3.626 4.545 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.894 5.487 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.355 4.058 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.939 5.649 6.733 1.00 0.00 H new ATOM 592 N LEU A 39 -1.103 7.274 4.677 1.00 0.00 N ATOM 593 CA LEU A 39 -0.876 8.315 3.675 1.00 0.00 C ATOM 594 C LEU A 39 0.544 8.869 3.641 1.00 0.00 C ATOM 595 O LEU A 39 0.958 9.614 4.537 1.00 0.00 O ATOM 596 CB LEU A 39 -1.930 9.432 3.811 1.00 0.00 C ATOM 597 CG LEU A 39 -1.835 10.533 2.733 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.096 9.973 1.332 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.862 11.637 2.990 1.00 0.00 C ATOM 0 H LEU A 39 -1.807 7.553 5.361 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.995 7.830 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.923 8.985 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.829 9.893 4.794 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.823 10.933 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.021 10.776 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.358 9.204 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.095 9.539 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.776 12.401 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.866 11.212 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.678 12.085 3.966 1.00 0.00 H new ATOM 611 N ALA A 40 1.272 8.521 2.580 1.00 0.00 N ATOM 612 CA ALA A 40 2.634 8.932 2.286 1.00 0.00 C ATOM 613 C ALA A 40 2.813 8.846 0.761 1.00 0.00 C ATOM 614 O ALA A 40 3.409 7.879 0.283 1.00 0.00 O ATOM 615 CB ALA A 40 3.631 8.056 3.057 1.00 0.00 C ATOM 0 H ALA A 40 0.896 7.904 1.860 1.00 0.00 H new ATOM 0 HA ALA A 40 2.827 9.955 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.648 8.374 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.452 8.157 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.502 7.014 2.764 1.00 0.00 H new ATOM 621 N PRO A 41 2.298 9.820 -0.020 1.00 0.00 N ATOM 622 CA PRO A 41 2.436 9.815 -1.474 1.00 0.00 C ATOM 623 C PRO A 41 3.917 9.834 -1.881 1.00 0.00 C ATOM 624 O PRO A 41 4.795 10.135 -1.066 1.00 0.00 O ATOM 625 CB PRO A 41 1.651 11.029 -1.987 1.00 0.00 C ATOM 626 CG PRO A 41 1.557 11.957 -0.779 1.00 0.00 C ATOM 627 CD PRO A 41 1.564 11.000 0.413 1.00 0.00 C ATOM 0 HA PRO A 41 2.033 8.906 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.164 11.511 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.663 10.741 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.397 12.651 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.648 12.558 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.041 11.460 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.548 10.740 0.710 1.00 0.00 H new ATOM 635 N LEU A 42 4.189 9.561 -3.164 1.00 0.00 N ATOM 636 CA LEU A 42 5.536 9.514 -3.738 1.00 0.00 C ATOM 637 C LEU A 42 6.404 10.710 -3.319 1.00 0.00 C ATOM 638 O LEU A 42 7.598 10.530 -3.085 1.00 0.00 O ATOM 639 CB LEU A 42 5.442 9.343 -5.268 1.00 0.00 C ATOM 640 CG LEU A 42 6.797 9.354 -5.995 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.673 8.181 -5.566 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.607 9.313 -7.514 1.00 0.00 C ATOM 0 H LEU A 42 3.458 9.362 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 42 6.052 8.644 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.935 8.403 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.820 10.142 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 42 7.296 10.283 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.622 8.221 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.858 8.238 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.166 7.244 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.581 9.322 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.071 8.405 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.033 10.183 -7.833 1.00 0.00 H new ATOM 654 N SER A 43 5.839 11.914 -3.192 1.00 0.00 N ATOM 655 CA SER A 43 6.591 13.094 -2.775 1.00 0.00 C ATOM 656 C SER A 43 7.302 12.880 -1.433 1.00 0.00 C ATOM 657 O SER A 43 8.474 13.215 -1.298 1.00 0.00 O ATOM 658 CB SER A 43 5.648 14.300 -2.711 1.00 0.00 C ATOM 659 OG SER A 43 5.072 14.524 -3.985 1.00 0.00 O ATOM 0 H SER A 43 4.852 12.095 -3.375 1.00 0.00 H new ATOM 0 HA SER A 43 7.371 13.282 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.865 14.123 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.196 15.185 -2.388 1.00 0.00 H new ATOM 0 HG SER A 43 4.468 15.295 -3.940 1.00 0.00 H new ATOM 665 N VAL A 44 6.619 12.300 -0.448 1.00 0.00 N ATOM 666 CA VAL A 44 7.150 12.044 0.885 1.00 0.00 C ATOM 667 C VAL A 44 8.268 10.987 0.837 1.00 0.00 C ATOM 668 O VAL A 44 9.311 11.124 1.484 1.00 0.00 O ATOM 669 CB VAL A 44 5.988 11.624 1.817 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.385 11.809 3.282 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.698 12.434 1.601 1.00 0.00 C ATOM 0 H VAL A 44 5.655 11.987 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 44 7.601 12.952 1.284 1.00 0.00 H new ATOM 0 HB VAL A 44 5.793 10.580 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.557 11.509 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.257 11.193 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.625 12.857 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.929 12.083 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.896 13.490 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.354 12.303 0.575 1.00 0.00 H new ATOM 681 N LEU A 45 8.073 9.933 0.044 1.00 0.00 N ATOM 682 CA LEU A 45 9.028 8.830 -0.111 1.00 0.00 C ATOM 683 C LEU A 45 10.347 9.293 -0.723 1.00 0.00 C ATOM 684 O LEU A 45 11.412 8.793 -0.376 1.00 0.00 O ATOM 685 CB LEU A 45 8.426 7.755 -1.020 1.00 0.00 C ATOM 686 CG LEU A 45 7.366 6.839 -0.390 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.991 5.559 0.177 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.519 7.440 0.737 1.00 0.00 C ATOM 0 H LEU A 45 7.231 9.818 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 45 9.229 8.435 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.980 8.249 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.238 7.131 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 45 6.703 6.652 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.211 4.936 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.487 5.011 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.720 5.819 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.810 6.694 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.169 7.747 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.975 8.306 0.361 1.00 0.00 H new ATOM 700 N GLU A 46 10.275 10.235 -1.644 1.00 0.00 N ATOM 701 CA GLU A 46 11.400 10.809 -2.345 1.00 0.00 C ATOM 702 C GLU A 46 12.078 11.836 -1.426 1.00 0.00 C ATOM 703 O GLU A 46 13.308 11.881 -1.339 1.00 0.00 O ATOM 704 CB GLU A 46 10.824 11.423 -3.622 1.00 0.00 C ATOM 705 CG GLU A 46 10.374 10.366 -4.655 1.00 0.00 C ATOM 706 CD GLU A 46 11.340 10.137 -5.821 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.527 11.078 -6.624 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.806 8.988 -6.007 1.00 0.00 O ATOM 0 H GLU A 46 9.385 10.638 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 46 12.169 10.084 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.974 12.054 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.574 12.070 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.223 9.418 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.407 10.666 -5.059 1.00 0.00 H new ATOM 715 N GLN A 47 11.274 12.621 -0.696 1.00 0.00 N ATOM 716 CA GLN A 47 11.722 13.639 0.242 1.00 0.00 C ATOM 717 C GLN A 47 12.552 13.031 1.367 1.00 0.00 C ATOM 718 O GLN A 47 13.606 13.588 1.692 1.00 0.00 O ATOM 719 CB GLN A 47 10.509 14.340 0.892 1.00 0.00 C ATOM 720 CG GLN A 47 10.051 15.619 0.185 1.00 0.00 C ATOM 721 CD GLN A 47 10.968 16.796 0.504 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.714 17.282 -0.348 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.979 17.272 1.738 1.00 0.00 N ATOM 0 H GLN A 47 10.258 12.556 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 47 12.326 14.348 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.675 13.639 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.758 14.582 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.032 15.453 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.032 15.858 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.362 16.871 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.604 18.040 1.983 1.00 0.00 H new ATOM 732 N SER A 48 12.074 11.930 1.958 1.00 0.00 N ATOM 733 CA SER A 48 12.775 11.296 3.081 1.00 0.00 C ATOM 734 C SER A 48 12.559 9.788 3.221 1.00 0.00 C ATOM 735 O SER A 48 13.259 9.146 4.012 1.00 0.00 O ATOM 736 CB SER A 48 12.347 12.006 4.380 1.00 0.00 C ATOM 737 OG SER A 48 13.443 12.651 5.001 1.00 0.00 O ATOM 0 H SER A 48 11.211 11.462 1.680 1.00 0.00 H new ATOM 0 HA SER A 48 13.841 11.407 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.571 12.738 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.913 11.280 5.067 1.00 0.00 H new ATOM 0 HG SER A 48 13.140 13.094 5.821 1.00 0.00 H new ATOM 743 N GLY A 49 11.614 9.192 2.501 1.00 0.00 N ATOM 744 CA GLY A 49 11.385 7.759 2.582 1.00 0.00 C ATOM 745 C GLY A 49 10.389 7.352 3.656 1.00 0.00 C ATOM 746 O GLY A 49 9.554 8.139 4.106 1.00 0.00 O ATOM 0 H GLY A 49 10.995 9.682 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.027 7.403 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.335 7.260 2.774 1.00 0.00 H new ATOM 750 N LEU A 50 10.466 6.072 4.012 1.00 0.00 N ATOM 751 CA LEU A 50 9.638 5.384 4.993 1.00 0.00 C ATOM 752 C LEU A 50 9.635 6.079 6.369 1.00 0.00 C ATOM 753 O LEU A 50 10.714 6.266 6.944 1.00 0.00 O ATOM 754 CB LEU A 50 10.176 3.951 5.115 1.00 0.00 C ATOM 755 CG LEU A 50 9.249 2.993 5.884 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.029 2.652 5.024 1.00 0.00 C ATOM 757 CD2 LEU A 50 10.020 1.711 6.209 1.00 0.00 C ATOM 0 H LEU A 50 11.156 5.448 3.593 1.00 0.00 H new ATOM 0 HA LEU A 50 8.602 5.395 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.344 3.551 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.145 3.980 5.614 1.00 0.00 H new ATOM 0 HG LEU A 50 8.913 3.468 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.375 1.974 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.485 3.566 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.357 2.173 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.372 1.025 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.350 1.240 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.888 1.954 6.822 1.00 0.00 H new ATOM 769 N PRO A 51 8.470 6.480 6.910 1.00 0.00 N ATOM 770 CA PRO A 51 8.391 7.128 8.214 1.00 0.00 C ATOM 771 C PRO A 51 8.517 6.108 9.348 1.00 0.00 C ATOM 772 O PRO A 51 8.143 4.944 9.188 1.00 0.00 O ATOM 773 CB PRO A 51 6.990 7.738 8.281 1.00 0.00 C ATOM 774 CG PRO A 51 6.157 6.838 7.371 1.00 0.00 C ATOM 775 CD PRO A 51 7.145 6.327 6.328 1.00 0.00 C ATOM 0 HA PRO A 51 9.191 7.859 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.604 7.743 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.986 8.771 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.709 6.016 7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.340 7.391 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.946 5.284 6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.060 6.894 5.401 1.00 0.00 H new ATOM 783 N ALA A 52 8.907 6.579 10.538 1.00 0.00 N ATOM 784 CA ALA A 52 9.057 5.739 11.724 1.00 0.00 C ATOM 785 C ALA A 52 7.747 5.018 12.058 1.00 0.00 C ATOM 786 O ALA A 52 7.755 3.840 12.400 1.00 0.00 O ATOM 787 CB ALA A 52 9.544 6.580 12.904 1.00 0.00 C ATOM 0 H ALA A 52 9.128 7.561 10.703 1.00 0.00 H new ATOM 0 HA ALA A 52 9.804 4.974 11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.653 5.945 13.783 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.507 7.028 12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.820 7.368 13.113 1.00 0.00 H new ATOM 793 N LYS A 53 6.593 5.677 11.901 1.00 0.00 N ATOM 794 CA LYS A 53 5.307 5.042 12.190 1.00 0.00 C ATOM 795 C LYS A 53 5.061 3.790 11.346 1.00 0.00 C ATOM 796 O LYS A 53 4.270 2.952 11.777 1.00 0.00 O ATOM 797 CB LYS A 53 4.142 6.034 12.061 1.00 0.00 C ATOM 798 CG LYS A 53 3.906 6.558 10.636 1.00 0.00 C ATOM 799 CD LYS A 53 3.704 8.067 10.555 1.00 0.00 C ATOM 800 CE LYS A 53 2.508 8.538 11.387 1.00 0.00 C ATOM 801 NZ LYS A 53 2.345 9.997 11.271 1.00 0.00 N ATOM 0 H LYS A 53 6.525 6.642 11.578 1.00 0.00 H new ATOM 0 HA LYS A 53 5.357 4.716 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.230 5.552 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.329 6.882 12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.757 6.282 10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.030 6.062 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.606 8.571 10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.557 8.356 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.601 8.036 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.653 8.264 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.530 10.302 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.204 10.471 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.185 10.250 10.275 1.00 0.00 H new ATOM 815 N LEU A 54 5.716 3.630 10.188 1.00 0.00 N ATOM 816 CA LEU A 54 5.539 2.469 9.316 1.00 0.00 C ATOM 817 C LEU A 54 6.903 1.849 9.024 1.00 0.00 C ATOM 818 O LEU A 54 7.095 1.242 7.977 1.00 0.00 O ATOM 819 CB LEU A 54 4.895 2.914 7.978 1.00 0.00 C ATOM 820 CG LEU A 54 3.742 3.922 8.083 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.433 4.574 6.734 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.504 3.322 8.745 1.00 0.00 C ATOM 0 H LEU A 54 6.388 4.310 9.831 1.00 0.00 H new ATOM 0 HA LEU A 54 4.894 1.742 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.674 3.348 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.528 2.026 7.462 1.00 0.00 H new ATOM 0 HG LEU A 54 4.077 4.721 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.611 5.281 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.316 5.101 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.151 3.805 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.717 4.075 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.155 2.471 8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.755 2.991 9.753 1.00 0.00 H new ATOM 834 N ARG A 55 7.804 1.852 10.005 1.00 0.00 N ATOM 835 CA ARG A 55 9.147 1.287 9.859 1.00 0.00 C ATOM 836 C ARG A 55 9.205 -0.216 10.136 1.00 0.00 C ATOM 837 O ARG A 55 10.311 -0.750 10.206 1.00 0.00 O ATOM 838 CB ARG A 55 10.137 2.073 10.726 1.00 0.00 C ATOM 839 CG ARG A 55 9.942 1.819 12.231 1.00 0.00 C ATOM 840 CD ARG A 55 11.097 1.015 12.808 1.00 0.00 C ATOM 841 NE ARG A 55 10.860 0.632 14.204 1.00 0.00 N ATOM 842 CZ ARG A 55 11.664 -0.176 14.900 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.707 -0.760 14.316 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.425 -0.414 16.186 1.00 0.00 N ATOM 0 H ARG A 55 7.624 2.248 10.928 1.00 0.00 H new ATOM 0 HA ARG A 55 9.435 1.391 8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.155 1.801 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.024 3.138 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.861 2.771 12.755 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.006 1.284 12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.249 0.118 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.014 1.601 12.744 1.00 0.00 H new ATOM 0 HE ARG A 55 10.033 1.005 14.670 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.898 -0.592 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.315 -1.375 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.625 0.021 16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.042 -1.032 16.714 1.00 0.00 H new ATOM 858 N HIS A 56 8.053 -0.861 10.342 1.00 0.00 N ATOM 859 CA HIS A 56 7.924 -2.287 10.622 1.00 0.00 C ATOM 860 C HIS A 56 8.865 -3.103 9.735 1.00 0.00 C ATOM 861 O HIS A 56 9.070 -2.782 8.569 1.00 0.00 O ATOM 862 CB HIS A 56 6.471 -2.761 10.425 1.00 0.00 C ATOM 863 CG HIS A 56 5.776 -3.186 11.694 1.00 0.00 C ATOM 864 ND1 HIS A 56 4.769 -2.498 12.323 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.958 -4.362 12.376 1.00 0.00 C ATOM 866 CE1 HIS A 56 4.337 -3.247 13.347 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.053 -4.386 13.447 1.00 0.00 N ATOM 0 H HIS A 56 7.153 -0.382 10.317 1.00 0.00 H new ATOM 0 HA HIS A 56 8.201 -2.445 11.664 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.899 -1.956 9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.466 -3.597 9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.673 -5.134 12.131 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.524 -2.975 14.004 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.956 -5.114 14.155 1.00 0.00 H new ATOM 875 N GLU A 57 9.351 -4.218 10.272 1.00 0.00 N ATOM 876 CA GLU A 57 10.274 -5.165 9.648 1.00 0.00 C ATOM 877 C GLU A 57 9.754 -5.740 8.319 1.00 0.00 C ATOM 878 O GLU A 57 10.507 -6.340 7.550 1.00 0.00 O ATOM 879 CB GLU A 57 10.551 -6.269 10.681 1.00 0.00 C ATOM 880 CG GLU A 57 11.876 -7.003 10.473 1.00 0.00 C ATOM 881 CD GLU A 57 12.071 -8.062 11.560 1.00 0.00 C ATOM 882 OE1 GLU A 57 11.861 -9.259 11.263 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.397 -7.708 12.721 1.00 0.00 O ATOM 0 H GLU A 57 9.095 -4.504 11.217 1.00 0.00 H new ATOM 0 HA GLU A 57 11.193 -4.647 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.545 -5.828 11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.738 -6.994 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.889 -7.474 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.702 -6.292 10.496 1.00 0.00 H new ATOM 890 N GLN A 58 8.464 -5.561 8.044 1.00 0.00 N ATOM 891 CA GLN A 58 7.770 -5.999 6.858 1.00 0.00 C ATOM 892 C GLN A 58 6.789 -4.920 6.452 1.00 0.00 C ATOM 893 O GLN A 58 5.928 -4.510 7.239 1.00 0.00 O ATOM 894 CB GLN A 58 7.016 -7.304 7.149 1.00 0.00 C ATOM 895 CG GLN A 58 7.937 -8.528 7.046 1.00 0.00 C ATOM 896 CD GLN A 58 7.191 -9.838 6.808 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.522 -10.855 7.414 1.00 0.00 O ATOM 898 NE2 GLN A 58 6.225 -9.864 5.902 1.00 0.00 N ATOM 0 H GLN A 58 7.845 -5.074 8.692 1.00 0.00 H new ATOM 0 HA GLN A 58 8.482 -6.179 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.582 -7.258 8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.189 -7.411 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.646 -8.371 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.518 -8.613 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.965 -9.010 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.742 -10.738 5.697 1.00 0.00 H new ATOM 907 N ILE A 59 6.953 -4.441 5.227 1.00 0.00 N ATOM 908 CA ILE A 59 6.105 -3.443 4.632 1.00 0.00 C ATOM 909 C ILE A 59 5.716 -3.952 3.232 1.00 0.00 C ATOM 910 O ILE A 59 6.150 -5.025 2.802 1.00 0.00 O ATOM 911 CB ILE A 59 6.698 -2.020 4.712 1.00 0.00 C ATOM 912 CG1 ILE A 59 7.580 -1.624 3.517 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.444 -1.649 6.009 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.060 -0.387 2.796 1.00 0.00 C ATOM 0 H ILE A 59 7.704 -4.751 4.610 1.00 0.00 H new ATOM 0 HA ILE A 59 5.184 -3.312 5.199 1.00 0.00 H new ATOM 0 HB ILE A 59 5.775 -1.440 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.596 -1.438 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.631 -2.456 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.811 -0.625 5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.764 -1.732 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.286 -2.327 6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.718 -0.149 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.054 -0.579 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.035 0.454 3.489 1.00 0.00 H new ATOM 926 N ILE A 60 4.861 -3.220 2.529 1.00 0.00 N ATOM 927 CA ILE A 60 4.331 -3.500 1.193 1.00 0.00 C ATOM 928 C ILE A 60 4.005 -2.141 0.552 1.00 0.00 C ATOM 929 O ILE A 60 3.893 -1.117 1.235 1.00 0.00 O ATOM 930 CB ILE A 60 3.088 -4.451 1.269 1.00 0.00 C ATOM 931 CG1 ILE A 60 3.440 -5.761 2.002 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.499 -4.761 -0.132 1.00 0.00 C ATOM 933 CD1 ILE A 60 2.394 -6.864 2.013 1.00 0.00 C ATOM 0 H ILE A 60 4.489 -2.347 2.904 1.00 0.00 H new ATOM 0 HA ILE A 60 5.059 -4.029 0.578 1.00 0.00 H new ATOM 0 HB ILE A 60 2.322 -3.923 1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.348 -6.164 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.678 -5.514 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.640 -5.424 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.185 -3.832 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.258 -5.245 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.777 -7.724 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.487 -6.500 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.167 -7.160 0.989 1.00 0.00 H new ATOM 945 N PHE A 61 3.803 -2.137 -0.761 1.00 0.00 N ATOM 946 CA PHE A 61 3.476 -0.976 -1.572 1.00 0.00 C ATOM 947 C PHE A 61 2.267 -1.278 -2.461 1.00 0.00 C ATOM 948 O PHE A 61 2.214 -2.328 -3.110 1.00 0.00 O ATOM 949 CB PHE A 61 4.710 -0.632 -2.417 1.00 0.00 C ATOM 950 CG PHE A 61 5.771 0.155 -1.678 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.461 1.392 -1.086 1.00 0.00 C ATOM 952 CD2 PHE A 61 7.075 -0.353 -1.580 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.450 2.107 -0.391 1.00 0.00 C ATOM 954 CE2 PHE A 61 8.056 0.344 -0.857 1.00 0.00 C ATOM 955 CZ PHE A 61 7.749 1.586 -0.277 1.00 0.00 C ATOM 0 H PHE A 61 3.867 -2.991 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 61 3.213 -0.127 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.152 -1.557 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.391 -0.060 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.461 1.793 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.326 -1.286 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.211 3.060 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.046 -0.074 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.510 2.138 0.255 1.00 0.00 H new ATOM 965 N HIS A 62 1.298 -0.358 -2.496 1.00 0.00 N ATOM 966 CA HIS A 62 0.076 -0.440 -3.291 1.00 0.00 C ATOM 967 C HIS A 62 -0.249 1.016 -3.655 1.00 0.00 C ATOM 968 O HIS A 62 -0.131 1.897 -2.802 1.00 0.00 O ATOM 969 CB HIS A 62 -1.040 -1.139 -2.485 1.00 0.00 C ATOM 970 CG HIS A 62 -1.990 -2.024 -3.254 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.855 -2.455 -4.551 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.060 -2.697 -2.722 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.831 -3.348 -4.789 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.618 -3.509 -3.715 1.00 0.00 N ATOM 0 H HIS A 62 1.349 0.500 -1.946 1.00 0.00 H new ATOM 0 HA HIS A 62 0.182 -1.041 -4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.570 -1.742 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.626 -0.370 -1.981 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.142 -2.152 -5.215 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.413 -2.614 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.964 -3.869 -5.725 1.00 0.00 H new ATOM 982 N CYS A 63 -0.589 1.296 -4.915 1.00 0.00 N ATOM 983 CA CYS A 63 -0.901 2.642 -5.400 1.00 0.00 C ATOM 984 C CYS A 63 -2.351 2.724 -5.878 1.00 0.00 C ATOM 985 O CYS A 63 -3.203 2.043 -5.324 1.00 0.00 O ATOM 986 CB CYS A 63 0.115 3.023 -6.489 1.00 0.00 C ATOM 987 SG CYS A 63 -0.013 1.910 -7.930 1.00 0.00 S ATOM 0 H CYS A 63 -0.656 0.581 -5.639 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.814 3.367 -4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.055 4.052 -6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.124 2.978 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 63 1.157 1.779 -8.482 1.00 0.00 H new ATOM 1073 N THR A 69 3.045 1.627 -9.007 1.00 0.00 N ATOM 1074 CA THR A 69 3.893 0.871 -8.105 1.00 0.00 C ATOM 1075 C THR A 69 5.041 0.310 -8.945 1.00 0.00 C ATOM 1076 O THR A 69 6.155 0.830 -8.902 1.00 0.00 O ATOM 1077 CB THR A 69 3.099 -0.270 -7.433 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.051 -0.767 -8.256 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.565 0.160 -6.074 1.00 0.00 C ATOM 0 HA THR A 69 4.272 1.507 -7.305 1.00 0.00 H new ATOM 0 HB THR A 69 3.800 -1.091 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.286 -0.156 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.010 -0.663 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.398 0.434 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.904 1.018 -6.198 1.00 0.00 H new ATOM 1087 N SER A 70 4.752 -0.727 -9.741 1.00 0.00 N ATOM 1088 CA SER A 70 5.678 -1.438 -10.621 1.00 0.00 C ATOM 1089 C SER A 70 6.468 -0.487 -11.532 1.00 0.00 C ATOM 1090 O SER A 70 7.626 -0.754 -11.864 1.00 0.00 O ATOM 1091 CB SER A 70 4.875 -2.472 -11.429 1.00 0.00 C ATOM 1092 OG SER A 70 5.501 -3.739 -11.412 1.00 0.00 O ATOM 0 H SER A 70 3.809 -1.112 -9.788 1.00 0.00 H new ATOM 0 HA SER A 70 6.429 -1.946 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.869 -2.556 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.771 -2.130 -12.459 1.00 0.00 H new ATOM 0 HG SER A 70 4.967 -4.375 -11.932 1.00 0.00 H new ATOM 1098 N ASN A 71 5.863 0.653 -11.866 1.00 0.00 N ATOM 1099 CA ASN A 71 6.426 1.698 -12.715 1.00 0.00 C ATOM 1100 C ASN A 71 7.817 2.147 -12.270 1.00 0.00 C ATOM 1101 O ASN A 71 8.680 2.342 -13.126 1.00 0.00 O ATOM 1102 CB ASN A 71 5.467 2.898 -12.706 1.00 0.00 C ATOM 1103 CG ASN A 71 5.591 3.848 -13.892 1.00 0.00 C ATOM 1104 OD1 ASN A 71 4.589 4.428 -14.295 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.765 4.075 -14.454 1.00 0.00 N ATOM 0 H ASN A 71 4.925 0.881 -11.536 1.00 0.00 H new ATOM 0 HA ASN A 71 6.540 1.288 -13.719 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.444 2.523 -12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.632 3.465 -11.790 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.841 4.736 -15.227 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.595 3.590 -14.114 1.00 0.00 H new ATOM 1112 N ASN A 72 8.030 2.345 -10.964 1.00 0.00 N ATOM 1113 CA ASN A 72 9.290 2.800 -10.360 1.00 0.00 C ATOM 1114 C ASN A 72 9.498 2.112 -9.000 1.00 0.00 C ATOM 1115 O ASN A 72 10.028 2.702 -8.052 1.00 0.00 O ATOM 1116 CB ASN A 72 9.255 4.334 -10.186 1.00 0.00 C ATOM 1117 CG ASN A 72 9.065 5.148 -11.462 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.203 6.017 -11.532 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.839 4.880 -12.496 1.00 0.00 N ATOM 0 H ASN A 72 7.300 2.186 -10.270 1.00 0.00 H new ATOM 0 HA ASN A 72 10.121 2.536 -11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.448 4.583 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.186 4.647 -9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.724 5.398 -13.367 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.552 4.155 -12.425 1.00 0.00 H new ATOM 1126 N ALA A 73 9.055 0.859 -8.891 1.00 0.00 N ATOM 1127 CA ALA A 73 9.128 0.053 -7.679 1.00 0.00 C ATOM 1128 C ALA A 73 10.530 -0.190 -7.128 1.00 0.00 C ATOM 1129 O ALA A 73 10.667 -0.373 -5.919 1.00 0.00 O ATOM 1130 CB ALA A 73 8.468 -1.302 -7.934 1.00 0.00 C ATOM 0 H ALA A 73 8.622 0.364 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 73 8.608 0.639 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.520 -1.908 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.424 -1.152 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.988 -1.813 -8.744 1.00 0.00 H new ATOM 1136 N ASP A 74 11.568 -0.189 -7.965 1.00 0.00 N ATOM 1137 CA ASP A 74 12.927 -0.452 -7.476 1.00 0.00 C ATOM 1138 C ASP A 74 13.406 0.616 -6.495 1.00 0.00 C ATOM 1139 O ASP A 74 14.095 0.332 -5.515 1.00 0.00 O ATOM 1140 CB ASP A 74 13.909 -0.592 -8.645 1.00 0.00 C ATOM 1141 CG ASP A 74 14.920 -1.720 -8.446 1.00 0.00 C ATOM 1142 OD1 ASP A 74 15.046 -2.273 -7.335 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.488 -2.148 -9.476 1.00 0.00 O ATOM 0 H ASP A 74 11.500 -0.013 -8.967 1.00 0.00 H new ATOM 0 HA ASP A 74 12.893 -1.396 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.349 -0.772 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.444 0.348 -8.777 1.00 0.00 H new ATOM 1148 N LYS A 75 13.042 1.874 -6.748 1.00 0.00 N ATOM 1149 CA LYS A 75 13.404 2.988 -5.890 1.00 0.00 C ATOM 1150 C LYS A 75 12.694 2.809 -4.551 1.00 0.00 C ATOM 1151 O LYS A 75 13.323 2.908 -3.501 1.00 0.00 O ATOM 1152 CB LYS A 75 12.980 4.300 -6.578 1.00 0.00 C ATOM 1153 CG LYS A 75 14.144 5.248 -6.880 1.00 0.00 C ATOM 1154 CD LYS A 75 14.786 5.757 -5.589 1.00 0.00 C ATOM 1155 CE LYS A 75 15.637 6.992 -5.884 1.00 0.00 C ATOM 1156 NZ LYS A 75 16.240 7.554 -4.661 1.00 0.00 N ATOM 0 H LYS A 75 12.485 2.143 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 75 14.479 3.024 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.468 4.061 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.260 4.816 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.891 4.732 -7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.787 6.092 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.013 6.002 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.404 4.976 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.426 6.729 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.020 7.751 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.808 8.390 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.488 7.830 -3.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.850 6.839 -4.215 1.00 0.00 H new ATOM 1170 N LEU A 76 11.384 2.532 -4.602 1.00 0.00 N ATOM 1171 CA LEU A 76 10.534 2.333 -3.429 1.00 0.00 C ATOM 1172 C LEU A 76 11.091 1.238 -2.518 1.00 0.00 C ATOM 1173 O LEU A 76 11.057 1.393 -1.300 1.00 0.00 O ATOM 1174 CB LEU A 76 9.093 1.998 -3.851 1.00 0.00 C ATOM 1175 CG LEU A 76 8.354 3.117 -4.600 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.013 2.586 -5.120 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.092 4.340 -3.709 1.00 0.00 C ATOM 0 H LEU A 76 10.878 2.439 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 76 10.524 3.266 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.114 1.111 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.521 1.740 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 76 8.993 3.432 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.489 3.380 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.190 1.751 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.405 2.248 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.568 5.103 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.481 4.045 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.041 4.741 -3.354 1.00 0.00 H new ATOM 1189 N ALA A 77 11.610 0.155 -3.102 1.00 0.00 N ATOM 1190 CA ALA A 77 12.187 -0.973 -2.384 1.00 0.00 C ATOM 1191 C ALA A 77 13.298 -0.491 -1.449 1.00 0.00 C ATOM 1192 O ALA A 77 13.163 -0.591 -0.227 1.00 0.00 O ATOM 1193 CB ALA A 77 12.682 -2.025 -3.384 1.00 0.00 C ATOM 0 H ALA A 77 11.639 0.040 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 77 11.426 -1.444 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.113 -2.867 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.845 -2.373 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.440 -1.584 -4.031 1.00 0.00 H new ATOM 1199 N ALA A 78 14.356 0.095 -2.018 1.00 0.00 N ATOM 1200 CA ALA A 78 15.490 0.595 -1.249 1.00 0.00 C ATOM 1201 C ALA A 78 15.048 1.640 -0.220 1.00 0.00 C ATOM 1202 O ALA A 78 15.546 1.646 0.908 1.00 0.00 O ATOM 1203 CB ALA A 78 16.539 1.176 -2.200 1.00 0.00 C ATOM 0 H ALA A 78 14.446 0.234 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 78 15.930 -0.236 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.386 1.549 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.880 0.399 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.100 1.994 -2.770 1.00 0.00 H new ATOM 1209 N ILE A 79 14.109 2.512 -0.597 1.00 0.00 N ATOM 1210 CA ILE A 79 13.559 3.570 0.243 1.00 0.00 C ATOM 1211 C ILE A 79 12.991 3.009 1.560 1.00 0.00 C ATOM 1212 O ILE A 79 13.133 3.647 2.609 1.00 0.00 O ATOM 1213 CB ILE A 79 12.506 4.349 -0.584 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.194 5.462 -1.397 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.364 4.915 0.270 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.281 6.054 -2.478 1.00 0.00 C ATOM 0 H ILE A 79 13.698 2.497 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 79 14.348 4.260 0.542 1.00 0.00 H new ATOM 0 HB ILE A 79 12.043 3.636 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.513 6.256 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.093 5.062 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.661 5.449 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.847 4.098 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.771 5.601 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.817 6.833 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.983 5.269 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.394 6.481 -2.011 1.00 0.00 H new ATOM 1228 N ALA A 80 12.347 1.840 1.534 1.00 0.00 N ATOM 1229 CA ALA A 80 11.737 1.226 2.708 1.00 0.00 C ATOM 1230 C ALA A 80 12.582 0.135 3.374 1.00 0.00 C ATOM 1231 O ALA A 80 12.159 -0.410 4.390 1.00 0.00 O ATOM 1232 CB ALA A 80 10.316 0.823 2.341 1.00 0.00 C ATOM 0 H ALA A 80 12.235 1.288 0.683 1.00 0.00 H new ATOM 0 HA ALA A 80 11.690 1.959 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.835 0.360 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.753 1.707 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.341 0.113 1.515 1.00 0.00 H new ATOM 1238 N ALA A 81 13.780 -0.162 2.859 1.00 0.00 N ATOM 1239 CA ALA A 81 14.670 -1.158 3.458 1.00 0.00 C ATOM 1240 C ALA A 81 15.069 -0.670 4.882 1.00 0.00 C ATOM 1241 O ALA A 81 14.866 0.516 5.185 1.00 0.00 O ATOM 1242 CB ALA A 81 15.872 -1.310 2.512 1.00 0.00 C ATOM 0 H ALA A 81 14.157 0.279 2.020 1.00 0.00 H new ATOM 0 HA ALA A 81 14.201 -2.134 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.565 -2.046 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.525 -1.642 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.379 -0.351 2.411 1.00 0.00 H new ATOM 1248 N PRO A 82 15.650 -1.494 5.779 1.00 0.00 N ATOM 1249 CA PRO A 82 16.009 -2.895 5.604 1.00 0.00 C ATOM 1250 C PRO A 82 14.826 -3.857 5.631 1.00 0.00 C ATOM 1251 O PRO A 82 15.040 -5.035 5.345 1.00 0.00 O ATOM 1252 CB PRO A 82 16.994 -3.204 6.733 1.00 0.00 C ATOM 1253 CG PRO A 82 16.561 -2.272 7.855 1.00 0.00 C ATOM 1254 CD PRO A 82 16.042 -1.050 7.108 1.00 0.00 C ATOM 0 HA PRO A 82 16.437 -3.041 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.939 -4.249 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.023 -3.014 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.788 -2.722 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.393 -2.019 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.194 -0.610 7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.812 -0.281 7.045 1.00 0.00 H new ATOM 1262 N ALA A 83 13.621 -3.383 5.955 1.00 0.00 N ATOM 1263 CA ALA A 83 12.423 -4.201 6.002 1.00 0.00 C ATOM 1264 C ALA A 83 12.181 -4.882 4.654 1.00 0.00 C ATOM 1265 O ALA A 83 12.735 -4.475 3.627 1.00 0.00 O ATOM 1266 CB ALA A 83 11.238 -3.294 6.347 1.00 0.00 C ATOM 0 H ALA A 83 13.455 -2.405 6.194 1.00 0.00 H new ATOM 0 HA ALA A 83 12.540 -4.979 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.325 -3.888 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.409 -2.824 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.135 -2.523 5.583 1.00 0.00 H new ATOM 1272 N GLU A 84 11.383 -5.943 4.651 1.00 0.00 N ATOM 1273 CA GLU A 84 11.039 -6.664 3.432 1.00 0.00 C ATOM 1274 C GLU A 84 9.887 -5.908 2.787 1.00 0.00 C ATOM 1275 O GLU A 84 8.926 -5.560 3.476 1.00 0.00 O ATOM 1276 CB GLU A 84 10.610 -8.098 3.717 1.00 0.00 C ATOM 1277 CG GLU A 84 11.797 -8.987 4.080 1.00 0.00 C ATOM 1278 CD GLU A 84 11.454 -10.445 3.799 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.973 -11.135 4.726 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.679 -10.889 2.646 1.00 0.00 O ATOM 0 H GLU A 84 10.956 -6.328 5.494 1.00 0.00 H new ATOM 0 HA GLU A 84 11.911 -6.719 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.888 -8.105 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.105 -8.506 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.674 -8.692 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.050 -8.860 5.132 1.00 0.00 H new ATOM 1287 N ILE A 85 9.983 -5.645 1.484 1.00 0.00 N ATOM 1288 CA ILE A 85 8.996 -4.913 0.706 1.00 0.00 C ATOM 1289 C ILE A 85 8.347 -5.860 -0.304 1.00 0.00 C ATOM 1290 O ILE A 85 8.987 -6.752 -0.862 1.00 0.00 O ATOM 1291 CB ILE A 85 9.704 -3.706 0.030 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.829 -2.442 0.892 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.993 -3.246 -1.242 1.00 0.00 C ATOM 1294 CD1 ILE A 85 10.371 -2.703 2.288 1.00 0.00 C ATOM 0 H ILE A 85 10.781 -5.949 0.925 1.00 0.00 H new ATOM 0 HA ILE A 85 8.197 -4.524 1.337 1.00 0.00 H new ATOM 0 HB ILE A 85 10.695 -4.117 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.482 -1.731 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.849 -1.971 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.529 -2.401 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.968 -4.065 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.974 -2.944 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.431 -1.763 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.707 -3.389 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.365 -3.145 2.216 1.00 0.00 H new ATOM 1306 N PHE A 86 7.059 -5.641 -0.565 1.00 0.00 N ATOM 1307 CA PHE A 86 6.279 -6.415 -1.515 1.00 0.00 C ATOM 1308 C PHE A 86 5.390 -5.474 -2.322 1.00 0.00 C ATOM 1309 O PHE A 86 5.308 -4.277 -2.031 1.00 0.00 O ATOM 1310 CB PHE A 86 5.444 -7.531 -0.845 1.00 0.00 C ATOM 1311 CG PHE A 86 6.119 -8.542 0.079 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.772 -8.145 1.265 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.006 -9.918 -0.202 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.356 -9.099 2.117 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.584 -10.872 0.654 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.271 -10.465 1.808 1.00 0.00 C ATOM 0 H PHE A 86 6.522 -4.903 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 86 6.976 -6.925 -2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.655 -7.045 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.958 -8.094 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.824 -7.097 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.471 -10.243 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.871 -8.780 3.011 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.499 -11.923 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.731 -11.198 2.454 1.00 0.00 H new ATOM 1326 N LEU A 87 4.699 -6.034 -3.311 1.00 0.00 N ATOM 1327 CA LEU A 87 3.800 -5.346 -4.216 1.00 0.00 C ATOM 1328 C LEU A 87 2.493 -6.112 -4.254 1.00 0.00 C ATOM 1329 O LEU A 87 2.448 -7.175 -4.877 1.00 0.00 O ATOM 1330 CB LEU A 87 4.382 -5.308 -5.645 1.00 0.00 C ATOM 1331 CG LEU A 87 5.582 -4.384 -5.864 1.00 0.00 C ATOM 1332 CD1 LEU A 87 6.116 -4.544 -7.292 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.209 -2.919 -5.644 1.00 0.00 C ATOM 0 H LEU A 87 4.758 -7.033 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 87 3.656 -4.324 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.675 -6.321 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.589 -5.007 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 87 6.346 -4.666 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.970 -3.882 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.426 -5.577 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.332 -4.287 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.085 -2.292 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.423 -2.635 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.852 -2.784 -4.623 1.00 0.00 H new ATOM 1345 N LEU A 88 1.470 -5.647 -3.530 1.00 0.00 N ATOM 1346 CA LEU A 88 0.176 -6.319 -3.584 1.00 0.00 C ATOM 1347 C LEU A 88 -0.313 -6.002 -4.999 1.00 0.00 C ATOM 1348 O LEU A 88 -0.309 -4.837 -5.406 1.00 0.00 O ATOM 1349 CB LEU A 88 -0.805 -5.816 -2.504 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.059 -6.707 -2.279 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.976 -6.081 -1.215 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.922 -6.974 -3.520 1.00 0.00 C ATOM 0 H LEU A 88 1.512 -4.832 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 88 0.249 -7.388 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.267 -5.729 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.136 -4.814 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.641 -7.665 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.850 -6.716 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.432 -5.989 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.297 -5.094 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.768 -7.605 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.289 -6.028 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.323 -7.479 -4.278 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.704 -7.031 -5.732 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.216 -7.051 -7.091 1.00 0.00 C ATOM 1366 C GLU A 89 -1.924 -5.757 -7.563 1.00 0.00 C ATOM 1367 O GLU A 89 -3.130 -5.602 -7.378 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.133 -8.284 -7.170 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.489 -8.694 -8.597 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.450 -9.620 -9.209 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.280 -9.205 -9.324 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.816 -10.740 -9.636 1.00 0.00 O ATOM 0 H GLU A 89 -0.666 -7.975 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.377 -7.108 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.645 -9.122 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.052 -8.078 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.460 -9.190 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.586 -7.802 -9.215 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.204 -4.841 -8.224 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.676 -3.560 -8.789 1.00 0.00 C ATOM 1381 C ASP A 90 -1.712 -2.392 -7.793 1.00 0.00 C ATOM 1382 O ASP A 90 -0.715 -2.099 -7.132 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.951 -3.709 -9.650 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.742 -4.683 -10.801 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -1.753 -4.531 -11.552 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -3.587 -5.580 -10.999 1.00 0.00 O ATOM 0 H ASP A 90 -0.208 -4.980 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.896 -3.261 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.774 -4.056 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.239 -2.735 -10.045 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.837 -1.676 -7.702 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.037 -0.530 -6.813 1.00 0.00 C ATOM 1393 C GLY A 91 -4.266 -0.704 -5.932 1.00 0.00 C ATOM 1394 O GLY A 91 -4.231 -0.492 -4.726 1.00 0.00 O ATOM 0 H GLY A 91 -3.661 -1.887 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.156 -0.399 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.142 0.377 -7.408 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.372 -1.099 -6.545 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.630 -1.353 -5.852 1.00 0.00 C ATOM 1400 C ILE A 92 -7.379 -2.478 -6.571 1.00 0.00 C ATOM 1401 O ILE A 92 -8.266 -3.109 -5.995 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.427 -0.040 -5.684 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.527 -0.164 -4.613 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.006 0.488 -6.996 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.943 -0.008 -3.216 1.00 0.00 C ATOM 0 H ILE A 92 -5.423 -1.255 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.457 -1.705 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.700 0.696 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.290 0.596 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.018 -1.133 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.553 1.411 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.196 0.684 -7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.682 -0.254 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.739 -0.099 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.198 -0.784 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.474 0.972 -3.125 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.992 -2.768 -7.822 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.595 -3.820 -8.625 1.00 0.00 C ATOM 1419 C ASP A 93 -7.390 -5.163 -7.904 1.00 0.00 C ATOM 1420 O ASP A 93 -8.312 -5.974 -7.831 1.00 0.00 O ATOM 1421 CB ASP A 93 -7.023 -3.714 -10.046 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.615 -4.774 -10.977 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.826 -4.653 -11.253 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.898 -5.666 -11.492 1.00 0.00 O ATOM 0 H ASP A 93 -6.243 -2.268 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.675 -3.725 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.229 -2.722 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.939 -3.825 -10.011 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.233 -5.337 -7.246 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.900 -6.531 -6.485 1.00 0.00 C ATOM 1431 C GLY A 94 -6.760 -6.617 -5.239 1.00 0.00 C ATOM 1432 O GLY A 94 -7.429 -7.629 -5.062 1.00 0.00 O ATOM 0 H GLY A 94 -5.495 -4.633 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.051 -7.417 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.846 -6.512 -6.207 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.782 -5.582 -4.383 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.608 -5.624 -3.170 1.00 0.00 C ATOM 1438 C TRP A 95 -9.040 -6.074 -3.530 1.00 0.00 C ATOM 1439 O TRP A 95 -9.625 -6.955 -2.896 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.662 -4.276 -2.457 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.520 -4.316 -1.222 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.566 -3.503 -0.970 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.477 -5.247 -0.090 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.103 -3.810 0.258 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.441 -4.839 0.872 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -7.668 -6.349 0.261 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -9.581 -5.453 2.124 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -7.786 -6.974 1.515 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -8.737 -6.524 2.451 1.00 0.00 C ATOM 0 H TRP A 95 -6.247 -4.722 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.147 -6.338 -2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.652 -3.971 -2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.049 -3.521 -3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.927 -2.729 -1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -10.903 -3.326 0.665 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.943 -6.720 -0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.326 -5.107 2.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.142 -7.805 1.762 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -8.816 -7.002 3.416 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.597 -5.482 -4.594 1.00 0.00 N ATOM 1461 CA LYS A 96 -10.935 -5.791 -5.078 1.00 0.00 C ATOM 1462 C LYS A 96 -11.049 -7.204 -5.661 1.00 0.00 C ATOM 1463 O LYS A 96 -12.125 -7.786 -5.537 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.354 -4.706 -6.076 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.812 -4.861 -6.522 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.196 -3.759 -7.505 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.582 -4.054 -8.072 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.066 -2.911 -8.861 1.00 0.00 N ATOM 0 H LYS A 96 -9.120 -4.768 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.625 -5.789 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.217 -3.725 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.703 -4.747 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.953 -5.836 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.469 -4.825 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.193 -2.791 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.464 -3.703 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.544 -4.946 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.277 -4.264 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.010 -3.126 -9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.121 -2.068 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.410 -2.729 -9.647 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.008 -7.792 -6.271 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.074 -9.160 -6.821 1.00 0.00 C ATOM 1484 C LYS A 97 -10.531 -10.134 -5.746 1.00 0.00 C ATOM 1485 O LYS A 97 -11.322 -11.028 -6.032 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.714 -9.663 -7.313 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.351 -9.321 -8.755 1.00 0.00 C ATOM 1488 CD LYS A 97 -6.947 -9.880 -8.999 1.00 0.00 C ATOM 1489 CE LYS A 97 -6.576 -9.826 -10.473 1.00 0.00 C ATOM 1490 NZ LYS A 97 -5.118 -9.927 -10.640 1.00 0.00 N ATOM 0 H LYS A 97 -9.103 -7.339 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.772 -9.114 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.942 -9.257 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.689 -10.747 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.068 -9.759 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.371 -8.243 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.221 -9.310 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.898 -10.911 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.067 -10.639 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.935 -8.894 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.897 -10.160 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.676 -9.019 -10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.748 -10.674 -10.018 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.033 -9.967 -4.520 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.378 -10.812 -3.386 1.00 0.00 C ATOM 1506 C ALA A 98 -11.846 -10.653 -2.959 1.00 0.00 C ATOM 1507 O ALA A 98 -12.298 -11.350 -2.052 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.444 -10.451 -2.227 1.00 0.00 C ATOM 0 H ALA A 98 -9.369 -9.228 -4.288 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.255 -11.856 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.681 -11.071 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.410 -10.625 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.575 -9.400 -1.968 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.600 -9.736 -3.573 1.00 0.00 N ATOM 1515 CA GLY A 99 -13.992 -9.458 -3.264 1.00 0.00 C ATOM 1516 C GLY A 99 -14.098 -8.733 -1.924 1.00 0.00 C ATOM 1517 O GLY A 99 -15.147 -8.782 -1.278 1.00 0.00 O ATOM 0 H GLY A 99 -12.238 -9.150 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.433 -8.848 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.558 -10.389 -3.228 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.023 -8.071 -1.486 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.951 -7.354 -0.224 1.00 0.00 C ATOM 1523 C LEU A 100 -13.149 -5.853 -0.455 1.00 0.00 C ATOM 1524 O LEU A 100 -12.600 -5.305 -1.417 1.00 0.00 O ATOM 1525 CB LEU A 100 -11.585 -7.614 0.424 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.302 -9.097 0.737 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -9.822 -9.286 1.062 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.158 -9.599 1.905 1.00 0.00 C ATOM 0 H LEU A 100 -12.156 -8.022 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.741 -7.706 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.805 -7.240 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.520 -7.041 1.349 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.562 -9.681 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.629 -10.336 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.220 -8.978 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.559 -8.679 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.932 -10.648 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.938 -9.011 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.213 -9.496 1.653 1.00 0.00 H new ATOM 1540 N PRO A 101 -13.901 -5.160 0.414 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.149 -3.735 0.297 1.00 0.00 C ATOM 1542 C PRO A 101 -13.085 -2.895 1.014 1.00 0.00 C ATOM 1543 O PRO A 101 -12.348 -3.362 1.881 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.491 -3.547 0.988 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.397 -4.525 2.156 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.611 -5.696 1.566 1.00 0.00 C ATOM 0 HA PRO A 101 -14.131 -3.412 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.633 -2.521 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.325 -3.782 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.883 -4.084 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.383 -4.835 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.915 -6.107 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.279 -6.506 1.271 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.979 -1.630 0.629 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.101 -0.599 1.135 1.00 0.00 C ATOM 1556 C VAL A 102 -12.727 -0.007 2.407 1.00 0.00 C ATOM 1557 O VAL A 102 -13.903 -0.257 2.693 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.015 0.486 0.030 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.818 0.201 -0.868 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.273 0.584 -0.873 1.00 0.00 C ATOM 0 H VAL A 102 -13.569 -1.271 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.110 -0.983 1.377 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.922 1.435 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.757 0.963 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.905 0.215 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.935 -0.779 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.127 1.367 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.435 -0.369 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.143 0.823 -0.261 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.965 0.771 3.185 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.513 1.419 4.372 1.00 0.00 C ATOM 1572 C ALA A 103 -13.152 2.696 3.817 1.00 0.00 C ATOM 1573 O ALA A 103 -12.472 3.703 3.617 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.465 1.677 5.463 1.00 0.00 C ATOM 0 H ALA A 103 -10.978 0.963 3.013 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.235 0.792 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.940 2.161 6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.028 0.730 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.681 2.324 5.069 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.416 2.612 3.416 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.212 3.693 2.851 1.00 0.00 C ATOM 1582 C VAL A 104 -16.186 4.232 3.894 1.00 0.00 C ATOM 1583 O VAL A 104 -16.395 3.614 4.940 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.935 3.211 1.575 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.958 3.250 0.401 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.546 1.814 1.699 1.00 0.00 C ATOM 0 H VAL A 104 -14.940 1.739 3.481 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.556 4.514 2.564 1.00 0.00 H new ATOM 0 HB VAL A 104 -16.771 3.890 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.463 2.911 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.603 4.270 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.111 2.597 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.036 1.547 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.760 1.091 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.278 1.808 2.506 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.774 5.391 3.612 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.738 6.064 4.474 1.00 0.00 C ATOM 1598 C ASN A 105 -19.048 6.330 3.743 1.00 0.00 C ATOM 1599 O ASN A 105 -20.061 6.546 4.402 1.00 0.00 O ATOM 1600 CB ASN A 105 -17.169 7.398 4.963 1.00 0.00 C ATOM 1601 CG ASN A 105 -16.152 7.245 6.072 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -14.948 7.202 5.823 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -16.597 7.154 7.307 1.00 0.00 N ATOM 0 H ASN A 105 -16.586 5.903 2.750 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.933 5.406 5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.706 7.917 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.987 8.027 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -15.940 7.046 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.599 7.192 7.492 1.00 0.00 H new