USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 140:sc= -2.11! USER MOD Set 1.2: A 77 ASN : amide:sc= -3.9 K(o=-6,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 1.3 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0791 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.9!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 30:sc= 0.339 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 29 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 1.05 (180deg=-0.351) USER MOD Single : A 36 HIS : no HE2:sc= -2.43! C(o=-2.4!,f=-3.8!) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.33 F(o=-3!,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= 0.266 USER MOD Single : A 55 ASN : amide:sc= -5.46! C(o=-5.5!,f=-7.6!) USER MOD Single : A 63 SER OG : rot -72:sc= 0.966 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 110:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.714 -1.113 25.621 1.00 0.00 N ATOM 2 CA GLY A 1 -11.931 -2.185 24.667 1.00 0.00 C ATOM 3 C GLY A 1 -13.051 -3.116 25.086 1.00 0.00 C ATOM 4 O GLY A 1 -12.801 -4.232 25.542 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.939 -0.505 25.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.583 -0.548 25.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.465 -1.517 26.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.164 -1.758 23.692 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.010 -2.757 24.553 1.00 0.00 H new ATOM 8 N SER A 2 -14.289 -2.657 24.934 1.00 0.00 N ATOM 9 CA SER A 2 -15.451 -3.456 25.305 1.00 0.00 C ATOM 10 C SER A 2 -15.487 -4.762 24.518 1.00 0.00 C ATOM 11 O SER A 2 -15.523 -5.848 25.097 1.00 0.00 O ATOM 12 CB SER A 2 -16.738 -2.665 25.061 1.00 0.00 C ATOM 13 OG SER A 2 -16.744 -1.459 25.805 1.00 0.00 O ATOM 0 H SER A 2 -14.513 -1.736 24.557 1.00 0.00 H new ATOM 0 HA SER A 2 -15.374 -3.694 26.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.835 -2.441 23.999 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.600 -3.272 25.339 1.00 0.00 H new ATOM 0 HG SER A 2 -17.576 -0.971 25.631 1.00 0.00 H new ATOM 19 N SER A 3 -15.477 -4.649 23.194 1.00 0.00 N ATOM 20 CA SER A 3 -15.513 -5.820 22.326 1.00 0.00 C ATOM 21 C SER A 3 -15.160 -5.443 20.890 1.00 0.00 C ATOM 22 O SER A 3 -15.138 -4.266 20.533 1.00 0.00 O ATOM 23 CB SER A 3 -16.896 -6.471 22.368 1.00 0.00 C ATOM 24 OG SER A 3 -17.020 -7.333 23.487 1.00 0.00 O ATOM 0 H SER A 3 -15.444 -3.758 22.699 1.00 0.00 H new ATOM 0 HA SER A 3 -14.773 -6.533 22.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.664 -5.699 22.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.064 -7.035 21.450 1.00 0.00 H new ATOM 0 HG SER A 3 -16.453 -7.006 24.216 1.00 0.00 H new ATOM 30 N GLY A 4 -14.883 -6.452 20.071 1.00 0.00 N ATOM 31 CA GLY A 4 -14.534 -6.208 18.683 1.00 0.00 C ATOM 32 C GLY A 4 -15.207 -7.181 17.736 1.00 0.00 C ATOM 33 O GLY A 4 -15.883 -8.113 18.170 1.00 0.00 O ATOM 0 H GLY A 4 -14.894 -7.435 20.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.816 -5.190 18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.453 -6.280 18.565 1.00 0.00 H new ATOM 37 N SER A 5 -15.022 -6.964 16.438 1.00 0.00 N ATOM 38 CA SER A 5 -15.621 -7.827 15.426 1.00 0.00 C ATOM 39 C SER A 5 -14.565 -8.330 14.447 1.00 0.00 C ATOM 40 O SER A 5 -13.415 -7.891 14.477 1.00 0.00 O ATOM 41 CB SER A 5 -16.718 -7.075 14.669 1.00 0.00 C ATOM 42 OG SER A 5 -17.478 -7.959 13.862 1.00 0.00 O ATOM 0 H SER A 5 -14.462 -6.198 16.062 1.00 0.00 H new ATOM 0 HA SER A 5 -16.062 -8.687 15.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.374 -6.571 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.269 -6.302 14.045 1.00 0.00 H new ATOM 0 HG SER A 5 -18.173 -7.455 13.390 1.00 0.00 H new ATOM 48 N SER A 6 -14.964 -9.254 13.579 1.00 0.00 N ATOM 49 CA SER A 6 -14.052 -9.821 12.592 1.00 0.00 C ATOM 50 C SER A 6 -14.803 -10.225 11.327 1.00 0.00 C ATOM 51 O SER A 6 -16.032 -10.181 11.280 1.00 0.00 O ATOM 52 CB SER A 6 -13.325 -11.034 13.177 1.00 0.00 C ATOM 53 OG SER A 6 -14.177 -12.165 13.224 1.00 0.00 O ATOM 0 H SER A 6 -15.913 -9.626 13.539 1.00 0.00 H new ATOM 0 HA SER A 6 -13.319 -9.058 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.446 -11.261 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.970 -10.800 14.181 1.00 0.00 H new ATOM 0 HG SER A 6 -13.689 -12.927 13.600 1.00 0.00 H new ATOM 59 N GLY A 7 -14.054 -10.620 10.302 1.00 0.00 N ATOM 60 CA GLY A 7 -14.664 -11.026 9.050 1.00 0.00 C ATOM 61 C GLY A 7 -13.650 -11.182 7.934 1.00 0.00 C ATOM 62 O GLY A 7 -12.541 -10.657 8.017 1.00 0.00 O ATOM 0 H GLY A 7 -13.035 -10.666 10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.189 -11.970 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.411 -10.288 8.757 1.00 0.00 H new ATOM 66 N ASN A 8 -14.031 -11.908 6.888 1.00 0.00 N ATOM 67 CA ASN A 8 -13.145 -12.134 5.751 1.00 0.00 C ATOM 68 C ASN A 8 -13.943 -12.500 4.504 1.00 0.00 C ATOM 69 O ASN A 8 -14.948 -13.209 4.582 1.00 0.00 O ATOM 70 CB ASN A 8 -12.142 -13.243 6.073 1.00 0.00 C ATOM 71 CG ASN A 8 -10.959 -12.738 6.876 1.00 0.00 C ATOM 72 OD1 ASN A 8 -11.030 -12.619 8.099 1.00 0.00 O ATOM 73 ND2 ASN A 8 -9.862 -12.439 6.189 1.00 0.00 N ATOM 0 H ASN A 8 -14.947 -12.350 6.804 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.603 -11.209 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.645 -14.033 6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.784 -13.686 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.034 -12.095 6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.848 -12.553 5.176 1.00 0.00 H new ATOM 80 N LEU A 9 -13.490 -12.014 3.354 1.00 0.00 N ATOM 81 CA LEU A 9 -14.161 -12.290 2.088 1.00 0.00 C ATOM 82 C LEU A 9 -13.365 -11.727 0.915 1.00 0.00 C ATOM 83 O LEU A 9 -12.989 -10.554 0.914 1.00 0.00 O ATOM 84 CB LEU A 9 -15.570 -11.696 2.095 1.00 0.00 C ATOM 85 CG LEU A 9 -16.571 -12.330 1.128 1.00 0.00 C ATOM 86 CD1 LEU A 9 -16.952 -13.726 1.595 1.00 0.00 C ATOM 87 CD2 LEU A 9 -17.808 -11.455 0.991 1.00 0.00 C ATOM 0 H LEU A 9 -12.660 -11.426 3.272 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.230 -13.371 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.971 -11.776 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.496 -10.633 1.864 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.099 -12.413 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.665 -14.162 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.060 -14.351 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.405 -13.668 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.509 -11.922 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.282 -11.340 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.520 -10.475 0.610 1.00 0.00 H new ATOM 99 N ASP A 10 -13.113 -12.569 -0.081 1.00 0.00 N ATOM 100 CA ASP A 10 -12.365 -12.154 -1.262 1.00 0.00 C ATOM 101 C ASP A 10 -12.955 -12.774 -2.524 1.00 0.00 C ATOM 102 O ASP A 10 -12.988 -13.996 -2.671 1.00 0.00 O ATOM 103 CB ASP A 10 -10.894 -12.549 -1.124 1.00 0.00 C ATOM 104 CG ASP A 10 -10.719 -13.942 -0.551 1.00 0.00 C ATOM 105 OD1 ASP A 10 -11.429 -14.863 -1.006 1.00 0.00 O ATOM 106 OD2 ASP A 10 -9.874 -14.110 0.353 1.00 0.00 O ATOM 0 H ASP A 10 -13.416 -13.543 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.436 -11.069 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.414 -12.499 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.386 -11.829 -0.482 1.00 0.00 H new ATOM 111 N ALA A 11 -13.420 -11.924 -3.433 1.00 0.00 N ATOM 112 CA ALA A 11 -14.008 -12.388 -4.684 1.00 0.00 C ATOM 113 C ALA A 11 -13.213 -11.886 -5.884 1.00 0.00 C ATOM 114 O ALA A 11 -12.891 -12.652 -6.793 1.00 0.00 O ATOM 115 CB ALA A 11 -15.459 -11.939 -4.784 1.00 0.00 C ATOM 0 H ALA A 11 -13.401 -10.910 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.975 -13.477 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.885 -12.292 -5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.026 -12.352 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.506 -10.851 -4.751 1.00 0.00 H new ATOM 121 N LEU A 12 -12.900 -10.595 -5.882 1.00 0.00 N ATOM 122 CA LEU A 12 -12.142 -9.990 -6.972 1.00 0.00 C ATOM 123 C LEU A 12 -10.655 -10.301 -6.840 1.00 0.00 C ATOM 124 O LEU A 12 -10.191 -10.728 -5.782 1.00 0.00 O ATOM 125 CB LEU A 12 -12.358 -8.475 -6.990 1.00 0.00 C ATOM 126 CG LEU A 12 -13.595 -7.983 -7.740 1.00 0.00 C ATOM 127 CD1 LEU A 12 -13.517 -8.367 -9.210 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.861 -8.543 -7.108 1.00 0.00 C ATOM 0 H LEU A 12 -13.159 -9.947 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.501 -10.414 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.419 -8.125 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.479 -8.008 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.628 -6.896 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.407 -8.008 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.631 -7.917 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.458 -9.452 -9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.731 -8.182 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.835 -9.632 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.924 -8.217 -6.070 1.00 0.00 H new ATOM 140 N ARG A 13 -9.912 -10.083 -7.920 1.00 0.00 N ATOM 141 CA ARG A 13 -8.476 -10.340 -7.924 1.00 0.00 C ATOM 142 C ARG A 13 -7.691 -9.042 -7.760 1.00 0.00 C ATOM 143 O ARG A 13 -6.665 -8.841 -8.408 1.00 0.00 O ATOM 144 CB ARG A 13 -8.065 -11.036 -9.223 1.00 0.00 C ATOM 145 CG ARG A 13 -8.289 -10.189 -10.465 1.00 0.00 C ATOM 146 CD ARG A 13 -7.978 -10.968 -11.734 1.00 0.00 C ATOM 147 NE ARG A 13 -6.567 -10.878 -12.100 1.00 0.00 N ATOM 148 CZ ARG A 13 -5.948 -11.771 -12.863 1.00 0.00 C ATOM 149 NH1 ARG A 13 -6.611 -12.816 -13.339 1.00 0.00 N ATOM 150 NH2 ARG A 13 -4.661 -11.621 -13.152 1.00 0.00 N ATOM 0 H ARG A 13 -10.280 -9.729 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.247 -10.992 -7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.011 -11.306 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.627 -11.965 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.323 -9.846 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.660 -9.300 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.250 -12.014 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.590 -10.587 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.028 -10.086 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.600 -12.936 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.132 -13.500 -13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.147 -10.819 -12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.187 -12.308 -13.738 1.00 0.00 H new ATOM 164 N GLU A 14 -8.183 -8.165 -6.890 1.00 0.00 N ATOM 165 CA GLU A 14 -7.528 -6.886 -6.643 1.00 0.00 C ATOM 166 C GLU A 14 -7.126 -6.756 -5.176 1.00 0.00 C ATOM 167 O GLU A 14 -7.735 -7.366 -4.297 1.00 0.00 O ATOM 168 CB GLU A 14 -8.451 -5.731 -7.034 1.00 0.00 C ATOM 169 CG GLU A 14 -7.743 -4.389 -7.123 1.00 0.00 C ATOM 170 CD GLU A 14 -7.014 -4.200 -8.439 1.00 0.00 C ATOM 171 OE1 GLU A 14 -5.831 -4.590 -8.524 1.00 0.00 O ATOM 172 OE2 GLU A 14 -7.628 -3.664 -9.385 1.00 0.00 O ATOM 0 H GLU A 14 -9.032 -8.317 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.627 -6.844 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.911 -5.954 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.258 -5.659 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.472 -3.589 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.031 -4.303 -6.302 1.00 0.00 H new ATOM 179 N VAL A 15 -6.095 -5.956 -4.920 1.00 0.00 N ATOM 180 CA VAL A 15 -5.611 -5.745 -3.561 1.00 0.00 C ATOM 181 C VAL A 15 -6.229 -4.495 -2.946 1.00 0.00 C ATOM 182 O VAL A 15 -5.547 -3.712 -2.284 1.00 0.00 O ATOM 183 CB VAL A 15 -4.076 -5.615 -3.526 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.421 -6.865 -4.096 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.629 -4.376 -4.286 1.00 0.00 C ATOM 0 H VAL A 15 -5.579 -5.444 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.908 -6.618 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.761 -5.510 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.337 -6.755 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.716 -7.732 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.740 -7.004 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.542 -4.300 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.954 -4.449 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.070 -3.490 -3.829 1.00 0.00 H new ATOM 195 N LEU A 16 -7.526 -4.313 -3.168 1.00 0.00 N ATOM 196 CA LEU A 16 -8.239 -3.158 -2.634 1.00 0.00 C ATOM 197 C LEU A 16 -7.976 -2.997 -1.140 1.00 0.00 C ATOM 198 O LEU A 16 -8.133 -1.910 -0.586 1.00 0.00 O ATOM 199 CB LEU A 16 -9.741 -3.299 -2.887 1.00 0.00 C ATOM 200 CG LEU A 16 -10.154 -3.598 -4.328 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.557 -4.185 -4.371 1.00 0.00 C ATOM 202 CD2 LEU A 16 -10.075 -2.338 -5.178 1.00 0.00 C ATOM 0 H LEU A 16 -8.105 -4.951 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.872 -2.268 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.123 -4.095 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.230 -2.376 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.462 -4.333 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.834 -4.391 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.582 -5.111 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.262 -3.473 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.372 -2.570 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.743 -1.580 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.053 -1.960 -5.174 1.00 0.00 H new ATOM 214 N GLU A 17 -7.573 -4.088 -0.495 1.00 0.00 N ATOM 215 CA GLU A 17 -7.286 -4.067 0.934 1.00 0.00 C ATOM 216 C GLU A 17 -5.793 -4.244 1.192 1.00 0.00 C ATOM 217 O GLU A 17 -5.106 -4.962 0.465 1.00 0.00 O ATOM 218 CB GLU A 17 -8.073 -5.166 1.651 1.00 0.00 C ATOM 219 CG GLU A 17 -9.438 -4.716 2.144 1.00 0.00 C ATOM 220 CD GLU A 17 -10.408 -5.869 2.310 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.032 -6.871 2.955 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.541 -5.771 1.796 1.00 0.00 O ATOM 0 H GLU A 17 -7.438 -4.996 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.592 -3.097 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.201 -6.010 0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.490 -5.524 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.324 -4.202 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.854 -3.994 1.441 1.00 0.00 H new ATOM 229 N CYS A 18 -5.296 -3.583 2.233 1.00 0.00 N ATOM 230 CA CYS A 18 -3.884 -3.665 2.588 1.00 0.00 C ATOM 231 C CYS A 18 -3.466 -5.114 2.825 1.00 0.00 C ATOM 232 O CYS A 18 -4.164 -5.889 3.479 1.00 0.00 O ATOM 233 CB CYS A 18 -3.602 -2.831 3.839 1.00 0.00 C ATOM 234 SG CYS A 18 -1.857 -2.840 4.362 1.00 0.00 S ATOM 0 H CYS A 18 -5.851 -2.985 2.845 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.302 -3.268 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.909 -1.802 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.217 -3.204 4.658 1.00 0.00 H new ATOM 239 N PRO A 19 -2.299 -5.489 2.280 1.00 0.00 N ATOM 240 CA PRO A 19 -1.761 -6.846 2.419 1.00 0.00 C ATOM 241 C PRO A 19 -1.306 -7.146 3.843 1.00 0.00 C ATOM 242 O PRO A 19 -0.842 -8.248 4.136 1.00 0.00 O ATOM 243 CB PRO A 19 -0.566 -6.853 1.462 1.00 0.00 C ATOM 244 CG PRO A 19 -0.153 -5.425 1.363 1.00 0.00 C ATOM 245 CD PRO A 19 -1.415 -4.618 1.488 1.00 0.00 C ATOM 0 HA PRO A 19 -2.509 -7.606 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.244 -7.474 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.842 -7.254 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.554 -5.168 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.344 -5.228 0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.236 -3.666 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.844 -4.390 0.513 1.00 0.00 H new ATOM 253 N ILE A 20 -1.441 -6.160 4.723 1.00 0.00 N ATOM 254 CA ILE A 20 -1.045 -6.320 6.116 1.00 0.00 C ATOM 255 C ILE A 20 -2.258 -6.289 7.040 1.00 0.00 C ATOM 256 O ILE A 20 -2.679 -7.320 7.565 1.00 0.00 O ATOM 257 CB ILE A 20 -0.055 -5.222 6.550 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.154 -5.196 5.612 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.388 -5.447 7.988 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.138 -4.091 5.926 1.00 0.00 C ATOM 0 H ILE A 20 -1.822 -5.241 4.496 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.556 -7.291 6.195 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.557 -4.256 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.668 -6.156 5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.805 -5.080 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.087 -4.663 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.481 -5.421 8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.876 -6.418 8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.969 -4.133 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.640 -3.125 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.516 -4.217 6.941 1.00 0.00 H new ATOM 272 N CYS A 21 -2.817 -5.099 7.234 1.00 0.00 N ATOM 273 CA CYS A 21 -3.983 -4.932 8.093 1.00 0.00 C ATOM 274 C CYS A 21 -5.248 -5.423 7.395 1.00 0.00 C ATOM 275 O CYS A 21 -6.192 -5.872 8.043 1.00 0.00 O ATOM 276 CB CYS A 21 -4.143 -3.464 8.491 1.00 0.00 C ATOM 277 SG CYS A 21 -4.195 -2.313 7.080 1.00 0.00 S ATOM 0 H CYS A 21 -2.481 -4.236 6.807 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.830 -5.530 8.991 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.060 -3.353 9.070 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.317 -3.184 9.145 1.00 0.00 H new ATOM 282 N MET A 22 -5.258 -5.332 6.069 1.00 0.00 N ATOM 283 CA MET A 22 -6.406 -5.768 5.282 1.00 0.00 C ATOM 284 C MET A 22 -7.594 -4.835 5.492 1.00 0.00 C ATOM 285 O MET A 22 -8.726 -5.287 5.664 1.00 0.00 O ATOM 286 CB MET A 22 -6.794 -7.200 5.656 1.00 0.00 C ATOM 287 CG MET A 22 -5.625 -8.171 5.635 1.00 0.00 C ATOM 288 SD MET A 22 -6.126 -9.852 5.216 1.00 0.00 S ATOM 289 CE MET A 22 -5.766 -9.885 3.462 1.00 0.00 C ATOM 0 H MET A 22 -4.485 -4.961 5.517 1.00 0.00 H new ATOM 0 HA MET A 22 -6.126 -5.739 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.237 -7.199 6.652 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.561 -7.552 4.966 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.884 -7.826 4.914 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.142 -8.173 6.612 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.023 -10.863 3.056 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.351 -9.117 2.956 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.704 -9.695 3.305 1.00 0.00 H new ATOM 299 N GLU A 23 -7.329 -3.533 5.478 1.00 0.00 N ATOM 300 CA GLU A 23 -8.377 -2.538 5.668 1.00 0.00 C ATOM 301 C GLU A 23 -8.564 -1.696 4.409 1.00 0.00 C ATOM 302 O GLU A 23 -7.615 -1.096 3.904 1.00 0.00 O ATOM 303 CB GLU A 23 -8.043 -1.632 6.855 1.00 0.00 C ATOM 304 CG GLU A 23 -8.556 -2.157 8.185 1.00 0.00 C ATOM 305 CD GLU A 23 -8.607 -1.084 9.255 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.537 -0.544 9.605 1.00 0.00 O ATOM 307 OE2 GLU A 23 -9.717 -0.785 9.743 1.00 0.00 O ATOM 0 H GLU A 23 -6.397 -3.143 5.337 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.309 -3.065 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.962 -1.510 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.466 -0.643 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.553 -2.574 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.914 -2.971 8.522 1.00 0.00 H new ATOM 314 N SER A 24 -9.794 -1.658 3.907 1.00 0.00 N ATOM 315 CA SER A 24 -10.106 -0.894 2.704 1.00 0.00 C ATOM 316 C SER A 24 -9.268 0.380 2.638 1.00 0.00 C ATOM 317 O SER A 24 -9.307 1.210 3.546 1.00 0.00 O ATOM 318 CB SER A 24 -11.594 -0.542 2.669 1.00 0.00 C ATOM 319 OG SER A 24 -11.970 0.200 3.817 1.00 0.00 O ATOM 0 H SER A 24 -10.591 -2.147 4.314 1.00 0.00 H new ATOM 0 HA SER A 24 -9.866 -1.512 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.813 0.036 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.186 -1.456 2.613 1.00 0.00 H new ATOM 0 HG SER A 24 -11.207 0.731 4.128 1.00 0.00 H new ATOM 325 N PHE A 25 -8.511 0.526 1.555 1.00 0.00 N ATOM 326 CA PHE A 25 -7.663 1.698 1.369 1.00 0.00 C ATOM 327 C PHE A 25 -8.496 2.976 1.358 1.00 0.00 C ATOM 328 O PHE A 25 -9.195 3.268 0.388 1.00 0.00 O ATOM 329 CB PHE A 25 -6.873 1.579 0.064 1.00 0.00 C ATOM 330 CG PHE A 25 -5.698 0.648 0.157 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.763 0.791 1.169 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.529 -0.370 -0.768 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.680 -0.064 1.257 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.448 -1.228 -0.685 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.524 -1.075 0.329 1.00 0.00 C ATOM 0 H PHE A 25 -8.468 -0.152 0.794 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.965 1.748 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.540 1.231 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.521 2.568 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.881 1.579 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.250 -0.495 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.957 0.058 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.327 -2.017 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.680 -1.745 0.397 1.00 0.00 H new ATOM 345 N THR A 26 -8.416 3.736 2.446 1.00 0.00 N ATOM 346 CA THR A 26 -9.163 4.983 2.564 1.00 0.00 C ATOM 347 C THR A 26 -8.260 6.188 2.330 1.00 0.00 C ATOM 348 O THR A 26 -7.167 6.274 2.888 1.00 0.00 O ATOM 349 CB THR A 26 -9.824 5.112 3.949 1.00 0.00 C ATOM 350 OG1 THR A 26 -8.828 5.358 4.947 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.599 3.850 4.299 1.00 0.00 C ATOM 0 H THR A 26 -7.842 3.510 3.258 1.00 0.00 H new ATOM 0 HA THR A 26 -9.940 4.961 1.800 1.00 0.00 H new ATOM 0 HB THR A 26 -10.520 5.950 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.257 5.440 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.057 3.965 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.376 3.682 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.920 2.998 4.313 1.00 0.00 H new ATOM 359 N GLU A 27 -8.726 7.118 1.502 1.00 0.00 N ATOM 360 CA GLU A 27 -7.959 8.320 1.194 1.00 0.00 C ATOM 361 C GLU A 27 -7.877 9.239 2.410 1.00 0.00 C ATOM 362 O GLU A 27 -7.035 10.134 2.468 1.00 0.00 O ATOM 363 CB GLU A 27 -8.590 9.067 0.018 1.00 0.00 C ATOM 364 CG GLU A 27 -8.333 10.565 0.040 1.00 0.00 C ATOM 365 CD GLU A 27 -6.900 10.917 -0.309 1.00 0.00 C ATOM 366 OE1 GLU A 27 -6.383 10.374 -1.308 1.00 0.00 O ATOM 367 OE2 GLU A 27 -6.296 11.734 0.416 1.00 0.00 O ATOM 0 H GLU A 27 -9.630 7.062 1.033 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.949 8.016 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.203 8.654 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.666 8.891 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.005 11.055 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.568 10.956 1.030 1.00 0.00 H new ATOM 374 N GLU A 28 -8.759 9.010 3.378 1.00 0.00 N ATOM 375 CA GLU A 28 -8.787 9.818 4.591 1.00 0.00 C ATOM 376 C GLU A 28 -7.560 9.544 5.456 1.00 0.00 C ATOM 377 O GLU A 28 -6.818 10.462 5.805 1.00 0.00 O ATOM 378 CB GLU A 28 -10.061 9.534 5.390 1.00 0.00 C ATOM 379 CG GLU A 28 -11.338 9.883 4.645 1.00 0.00 C ATOM 380 CD GLU A 28 -11.610 8.947 3.483 1.00 0.00 C ATOM 381 OE1 GLU A 28 -11.985 7.783 3.736 1.00 0.00 O ATOM 382 OE2 GLU A 28 -11.449 9.379 2.322 1.00 0.00 O ATOM 0 H GLU A 28 -9.463 8.272 3.346 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.776 10.868 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.084 8.478 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.028 10.098 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.179 9.850 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.270 10.906 4.275 1.00 0.00 H new ATOM 389 N GLN A 29 -7.355 8.277 5.797 1.00 0.00 N ATOM 390 CA GLN A 29 -6.219 7.882 6.622 1.00 0.00 C ATOM 391 C GLN A 29 -5.404 6.788 5.940 1.00 0.00 C ATOM 392 O GLN A 29 -4.288 7.027 5.477 1.00 0.00 O ATOM 393 CB GLN A 29 -6.699 7.399 7.992 1.00 0.00 C ATOM 394 CG GLN A 29 -5.647 7.518 9.082 1.00 0.00 C ATOM 395 CD GLN A 29 -5.013 8.894 9.133 1.00 0.00 C ATOM 396 OE1 GLN A 29 -3.820 9.051 8.870 1.00 0.00 O ATOM 397 NE2 GLN A 29 -5.809 9.901 9.474 1.00 0.00 N ATOM 0 H GLN A 29 -7.960 7.506 5.515 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.580 8.755 6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.578 7.974 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.011 6.358 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.102 7.296 10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.871 6.771 8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.792 9.726 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.438 10.850 9.526 1.00 0.00 H new ATOM 406 N LEU A 30 -5.969 5.587 5.882 1.00 0.00 N ATOM 407 CA LEU A 30 -5.295 4.454 5.256 1.00 0.00 C ATOM 408 C LEU A 30 -5.116 4.686 3.760 1.00 0.00 C ATOM 409 O LEU A 30 -5.890 4.183 2.946 1.00 0.00 O ATOM 410 CB LEU A 30 -6.090 3.169 5.493 1.00 0.00 C ATOM 411 CG LEU A 30 -6.479 2.877 6.943 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.457 1.715 7.010 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.241 2.584 7.778 1.00 0.00 C ATOM 0 H LEU A 30 -6.892 5.372 6.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.309 4.353 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.001 3.214 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.504 2.329 5.119 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.969 3.760 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.722 1.522 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.356 1.963 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.995 0.825 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.536 2.378 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.723 1.716 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.575 3.447 7.757 1.00 0.00 H new ATOM 425 N ARG A 31 -4.088 5.450 3.403 1.00 0.00 N ATOM 426 CA ARG A 31 -3.807 5.748 2.004 1.00 0.00 C ATOM 427 C ARG A 31 -2.901 4.683 1.394 1.00 0.00 C ATOM 428 O ARG A 31 -1.880 4.299 1.965 1.00 0.00 O ATOM 429 CB ARG A 31 -3.152 7.125 1.876 1.00 0.00 C ATOM 430 CG ARG A 31 -4.146 8.256 1.677 1.00 0.00 C ATOM 431 CD ARG A 31 -4.384 8.536 0.201 1.00 0.00 C ATOM 432 NE ARG A 31 -3.132 8.649 -0.543 1.00 0.00 N ATOM 433 CZ ARG A 31 -2.431 9.773 -0.636 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.856 10.875 -0.035 1.00 0.00 N ATOM 435 NH2 ARG A 31 -1.301 9.796 -1.331 1.00 0.00 N ATOM 0 H ARG A 31 -3.436 5.874 4.064 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.752 5.751 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.564 7.323 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.458 7.111 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.091 8.000 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.775 9.158 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.989 7.737 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.954 9.459 0.094 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.777 7.819 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.724 10.861 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.315 11.737 -0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.970 8.950 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.763 10.660 -1.402 1.00 0.00 H new ATOM 449 N PRO A 32 -3.281 4.194 0.204 1.00 0.00 N ATOM 450 CA PRO A 32 -2.517 3.167 -0.510 1.00 0.00 C ATOM 451 C PRO A 32 -1.190 3.696 -1.042 1.00 0.00 C ATOM 452 O PRO A 32 -1.159 4.501 -1.974 1.00 0.00 O ATOM 453 CB PRO A 32 -3.440 2.778 -1.668 1.00 0.00 C ATOM 454 CG PRO A 32 -4.296 3.978 -1.889 1.00 0.00 C ATOM 455 CD PRO A 32 -4.486 4.606 -0.536 1.00 0.00 C ATOM 0 HA PRO A 32 -2.251 2.333 0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.869 2.528 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.041 1.903 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.820 4.675 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.254 3.699 -2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.564 5.691 -0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.396 4.251 -0.052 1.00 0.00 H new ATOM 463 N LYS A 33 -0.094 3.240 -0.446 1.00 0.00 N ATOM 464 CA LYS A 33 1.238 3.666 -0.860 1.00 0.00 C ATOM 465 C LYS A 33 1.975 2.534 -1.568 1.00 0.00 C ATOM 466 O LYS A 33 1.979 1.394 -1.102 1.00 0.00 O ATOM 467 CB LYS A 33 2.045 4.136 0.352 1.00 0.00 C ATOM 468 CG LYS A 33 1.290 5.101 1.249 1.00 0.00 C ATOM 469 CD LYS A 33 0.925 6.378 0.512 1.00 0.00 C ATOM 470 CE LYS A 33 1.980 7.456 0.708 1.00 0.00 C ATOM 471 NZ LYS A 33 1.937 8.478 -0.375 1.00 0.00 N ATOM 0 H LYS A 33 -0.102 2.574 0.327 1.00 0.00 H new ATOM 0 HA LYS A 33 1.127 4.496 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.344 3.267 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.960 4.616 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.384 4.622 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.900 5.344 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.813 6.166 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.039 6.742 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.828 7.942 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.968 6.997 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.896 8.842 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.569 8.045 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.316 9.261 -0.089 1.00 0.00 H new ATOM 485 N LEU A 34 2.599 2.855 -2.696 1.00 0.00 N ATOM 486 CA LEU A 34 3.342 1.865 -3.468 1.00 0.00 C ATOM 487 C LEU A 34 4.840 1.982 -3.206 1.00 0.00 C ATOM 488 O LEU A 34 5.432 3.046 -3.390 1.00 0.00 O ATOM 489 CB LEU A 34 3.059 2.038 -4.962 1.00 0.00 C ATOM 490 CG LEU A 34 3.300 0.807 -5.837 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.778 -0.446 -5.151 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.645 0.985 -7.199 1.00 0.00 C ATOM 0 H LEU A 34 2.605 3.793 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 34 3.014 0.874 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.020 2.346 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.679 2.853 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 34 4.374 0.694 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.958 -1.312 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.293 -0.582 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.708 -0.344 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.827 0.100 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.571 1.124 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.067 1.859 -7.694 1.00 0.00 H new ATOM 504 N LEU A 35 5.448 0.882 -2.777 1.00 0.00 N ATOM 505 CA LEU A 35 6.878 0.859 -2.491 1.00 0.00 C ATOM 506 C LEU A 35 7.688 0.736 -3.778 1.00 0.00 C ATOM 507 O LEU A 35 7.159 0.357 -4.823 1.00 0.00 O ATOM 508 CB LEU A 35 7.212 -0.300 -1.551 1.00 0.00 C ATOM 509 CG LEU A 35 6.542 -0.265 -0.177 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.841 -1.540 0.595 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.999 0.956 0.608 1.00 0.00 C ATOM 0 H LEU A 35 4.973 -0.007 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 35 7.142 1.799 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.936 -1.232 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.292 -0.324 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 35 5.464 -0.197 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.356 -1.497 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.464 -2.399 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.918 -1.640 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.512 0.965 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.080 0.918 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.733 1.861 0.061 1.00 0.00 H new ATOM 523 N HIS A 36 8.976 1.056 -3.693 1.00 0.00 N ATOM 524 CA HIS A 36 9.861 0.979 -4.850 1.00 0.00 C ATOM 525 C HIS A 36 9.977 -0.458 -5.349 1.00 0.00 C ATOM 526 O HIS A 36 10.586 -0.718 -6.387 1.00 0.00 O ATOM 527 CB HIS A 36 11.245 1.523 -4.497 1.00 0.00 C ATOM 528 CG HIS A 36 11.283 3.012 -4.344 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.449 3.745 -4.402 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.288 3.906 -4.137 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.171 5.026 -4.235 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.866 5.150 -4.072 1.00 0.00 N ATOM 0 H HIS A 36 9.430 1.371 -2.835 1.00 0.00 H new ATOM 0 HA HIS A 36 9.433 1.588 -5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.581 1.062 -3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.951 1.228 -5.273 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.381 3.359 -4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.236 3.683 -4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.888 5.834 -4.232 1.00 0.00 H new ATOM 540 N CYS A 37 9.391 -1.388 -4.603 1.00 0.00 N ATOM 541 CA CYS A 37 9.429 -2.799 -4.968 1.00 0.00 C ATOM 542 C CYS A 37 8.244 -3.164 -5.857 1.00 0.00 C ATOM 543 O CYS A 37 8.401 -3.839 -6.873 1.00 0.00 O ATOM 544 CB CYS A 37 9.426 -3.673 -3.712 1.00 0.00 C ATOM 545 SG CYS A 37 7.923 -3.510 -2.696 1.00 0.00 S ATOM 0 H CYS A 37 8.883 -1.190 -3.741 1.00 0.00 H new ATOM 0 HA CYS A 37 10.348 -2.979 -5.526 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.540 -4.716 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.293 -3.418 -3.103 1.00 0.00 H new ATOM 550 N GLY A 38 7.056 -2.710 -5.467 1.00 0.00 N ATOM 551 CA GLY A 38 5.862 -2.998 -6.239 1.00 0.00 C ATOM 552 C GLY A 38 4.659 -3.283 -5.361 1.00 0.00 C ATOM 553 O GLY A 38 3.522 -3.009 -5.746 1.00 0.00 O ATOM 0 H GLY A 38 6.900 -2.148 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.641 -2.152 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.049 -3.856 -6.884 1.00 0.00 H new ATOM 557 N HIS A 39 4.909 -3.835 -4.178 1.00 0.00 N ATOM 558 CA HIS A 39 3.836 -4.158 -3.244 1.00 0.00 C ATOM 559 C HIS A 39 3.156 -2.890 -2.738 1.00 0.00 C ATOM 560 O HIS A 39 3.786 -1.838 -2.623 1.00 0.00 O ATOM 561 CB HIS A 39 4.384 -4.961 -2.064 1.00 0.00 C ATOM 562 CG HIS A 39 4.788 -6.358 -2.426 1.00 0.00 C ATOM 563 ND1 HIS A 39 6.008 -6.901 -2.084 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.124 -7.324 -3.102 1.00 0.00 C ATOM 565 CE1 HIS A 39 6.078 -8.140 -2.536 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.947 -8.422 -3.157 1.00 0.00 N ATOM 0 H HIS A 39 5.844 -4.068 -3.844 1.00 0.00 H new ATOM 0 HA HIS A 39 3.097 -4.760 -3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.246 -4.439 -1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.628 -5.002 -1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.131 -7.246 -3.520 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.918 -8.809 -2.418 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.722 -9.310 -3.604 1.00 0.00 H new ATOM 574 N THR A 40 1.865 -2.995 -2.439 1.00 0.00 N ATOM 575 CA THR A 40 1.098 -1.857 -1.949 1.00 0.00 C ATOM 576 C THR A 40 0.770 -2.012 -0.468 1.00 0.00 C ATOM 577 O THR A 40 0.400 -3.096 -0.015 1.00 0.00 O ATOM 578 CB THR A 40 -0.213 -1.681 -2.738 1.00 0.00 C ATOM 579 OG1 THR A 40 0.075 -1.306 -4.089 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.096 -0.624 -2.090 1.00 0.00 C ATOM 0 H THR A 40 1.328 -3.858 -2.528 1.00 0.00 H new ATOM 0 HA THR A 40 1.719 -0.973 -2.090 1.00 0.00 H new ATOM 0 HB THR A 40 -0.746 -2.632 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.535 -1.776 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.016 -0.517 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.337 -0.926 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.568 0.329 -2.070 1.00 0.00 H new ATOM 588 N ILE A 41 0.907 -0.923 0.281 1.00 0.00 N ATOM 589 CA ILE A 41 0.623 -0.940 1.710 1.00 0.00 C ATOM 590 C ILE A 41 0.026 0.388 2.167 1.00 0.00 C ATOM 591 O ILE A 41 0.359 1.447 1.635 1.00 0.00 O ATOM 592 CB ILE A 41 1.892 -1.229 2.533 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.642 -2.428 1.949 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.532 -1.481 3.990 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.811 -2.880 2.796 1.00 0.00 C ATOM 0 H ILE A 41 1.213 -0.019 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.099 -1.739 1.879 1.00 0.00 H new ATOM 0 HB ILE A 41 2.545 -0.357 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.947 -3.259 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.003 -2.171 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.439 -1.684 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.036 -0.601 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.863 -2.339 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.296 -3.733 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.527 -2.064 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.454 -3.169 3.784 1.00 0.00 H new ATOM 607 N CYS A 42 -0.856 0.323 3.159 1.00 0.00 N ATOM 608 CA CYS A 42 -1.499 1.519 3.690 1.00 0.00 C ATOM 609 C CYS A 42 -0.505 2.368 4.476 1.00 0.00 C ATOM 610 O CYS A 42 0.257 1.852 5.294 1.00 0.00 O ATOM 611 CB CYS A 42 -2.678 1.134 4.586 1.00 0.00 C ATOM 612 SG CYS A 42 -2.191 0.417 6.188 1.00 0.00 S ATOM 0 H CYS A 42 -1.142 -0.545 3.611 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.867 2.107 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.288 2.019 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.305 0.418 4.055 1.00 0.00 H new ATOM 617 N ARG A 43 -0.518 3.672 4.221 1.00 0.00 N ATOM 618 CA ARG A 43 0.384 4.593 4.903 1.00 0.00 C ATOM 619 C ARG A 43 0.529 4.220 6.376 1.00 0.00 C ATOM 620 O ARG A 43 1.610 4.336 6.951 1.00 0.00 O ATOM 621 CB ARG A 43 -0.129 6.029 4.778 1.00 0.00 C ATOM 622 CG ARG A 43 -1.187 6.390 5.807 1.00 0.00 C ATOM 623 CD ARG A 43 -0.564 6.968 7.068 1.00 0.00 C ATOM 624 NE ARG A 43 -0.001 8.297 6.841 1.00 0.00 N ATOM 625 CZ ARG A 43 0.174 9.195 7.803 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.166 8.909 9.052 1.00 0.00 N ATOM 627 NH2 ARG A 43 0.692 10.383 7.517 1.00 0.00 N ATOM 0 H ARG A 43 -1.143 4.115 3.547 1.00 0.00 H new ATOM 0 HA ARG A 43 1.363 4.522 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.711 6.716 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.542 6.173 3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.881 7.113 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.767 5.503 6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.319 7.023 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.219 6.299 7.425 1.00 0.00 H new ATOM 0 HE ARG A 43 0.273 8.549 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.563 7.997 9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.030 9.601 9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.956 10.607 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.826 11.072 8.257 1.00 0.00 H new ATOM 641 N GLN A 44 -0.568 3.773 6.979 1.00 0.00 N ATOM 642 CA GLN A 44 -0.563 3.385 8.384 1.00 0.00 C ATOM 643 C GLN A 44 0.547 2.377 8.666 1.00 0.00 C ATOM 644 O GLN A 44 1.384 2.589 9.544 1.00 0.00 O ATOM 645 CB GLN A 44 -1.917 2.792 8.777 1.00 0.00 C ATOM 646 CG GLN A 44 -1.873 1.963 10.050 1.00 0.00 C ATOM 647 CD GLN A 44 -3.251 1.692 10.619 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.086 1.007 9.847 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.563 2.095 11.740 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.471 3.671 6.516 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.379 4.279 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.635 3.602 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.282 2.169 7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.376 1.015 9.844 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.272 2.482 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.889 2.618 12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.495 1.906 12.109 1.00 0.00 H new ATOM 658 N CYS A 45 0.547 1.280 7.917 1.00 0.00 N ATOM 659 CA CYS A 45 1.553 0.238 8.086 1.00 0.00 C ATOM 660 C CYS A 45 2.924 0.725 7.624 1.00 0.00 C ATOM 661 O CYS A 45 3.944 0.420 8.243 1.00 0.00 O ATOM 662 CB CYS A 45 1.156 -1.016 7.305 1.00 0.00 C ATOM 663 SG CYS A 45 -0.313 -1.868 7.965 1.00 0.00 S ATOM 0 H CYS A 45 -0.139 1.089 7.186 1.00 0.00 H new ATOM 0 HA CYS A 45 1.612 -0.006 9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.968 -0.741 6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.996 -1.711 7.303 1.00 0.00 H new ATOM 668 N LEU A 46 2.939 1.484 6.534 1.00 0.00 N ATOM 669 CA LEU A 46 4.184 2.014 5.988 1.00 0.00 C ATOM 670 C LEU A 46 4.845 2.973 6.973 1.00 0.00 C ATOM 671 O LEU A 46 6.070 3.068 7.033 1.00 0.00 O ATOM 672 CB LEU A 46 3.918 2.729 4.662 1.00 0.00 C ATOM 673 CG LEU A 46 5.141 3.328 3.966 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.762 2.316 3.015 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.762 4.600 3.222 1.00 0.00 C ATOM 0 H LEU A 46 2.104 1.746 6.011 1.00 0.00 H new ATOM 0 HA LEU A 46 4.861 1.178 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.446 2.022 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.199 3.528 4.841 1.00 0.00 H new ATOM 0 HG LEU A 46 5.880 3.583 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.631 2.759 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.071 1.433 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.030 2.030 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.645 5.012 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.005 4.371 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.364 5.329 3.928 1.00 0.00 H new ATOM 687 N GLU A 47 4.025 3.681 7.743 1.00 0.00 N ATOM 688 CA GLU A 47 4.531 4.632 8.726 1.00 0.00 C ATOM 689 C GLU A 47 5.215 3.907 9.882 1.00 0.00 C ATOM 690 O GLU A 47 6.311 4.279 10.301 1.00 0.00 O ATOM 691 CB GLU A 47 3.392 5.504 9.259 1.00 0.00 C ATOM 692 CG GLU A 47 3.000 6.633 8.321 1.00 0.00 C ATOM 693 CD GLU A 47 4.003 7.771 8.327 1.00 0.00 C ATOM 694 OE1 GLU A 47 5.195 7.511 8.059 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.597 8.919 8.600 1.00 0.00 O ATOM 0 H GLU A 47 3.008 3.614 7.705 1.00 0.00 H new ATOM 0 HA GLU A 47 5.266 5.269 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.520 4.876 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.688 5.927 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.905 6.242 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.020 7.015 8.608 1.00 0.00 H new ATOM 702 N LYS A 48 4.560 2.870 10.393 1.00 0.00 N ATOM 703 CA LYS A 48 5.102 2.092 11.500 1.00 0.00 C ATOM 704 C LYS A 48 6.503 1.584 11.172 1.00 0.00 C ATOM 705 O LYS A 48 7.355 1.469 12.055 1.00 0.00 O ATOM 706 CB LYS A 48 4.183 0.911 11.819 1.00 0.00 C ATOM 707 CG LYS A 48 3.143 1.220 12.882 1.00 0.00 C ATOM 708 CD LYS A 48 1.856 1.743 12.268 1.00 0.00 C ATOM 709 CE LYS A 48 0.648 1.397 13.126 1.00 0.00 C ATOM 710 NZ LYS A 48 0.057 0.084 12.747 1.00 0.00 N ATOM 0 H LYS A 48 3.652 2.549 10.057 1.00 0.00 H new ATOM 0 HA LYS A 48 5.164 2.742 12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.676 0.599 10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.790 0.068 12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.932 0.319 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.541 1.958 13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.922 2.825 12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.729 1.320 11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.942 1.374 14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.106 2.178 13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.763 -0.116 13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.247 0.114 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.768 -0.665 12.869 1.00 0.00 H new ATOM 724 N LEU A 49 6.736 1.284 9.899 1.00 0.00 N ATOM 725 CA LEU A 49 8.035 0.790 9.455 1.00 0.00 C ATOM 726 C LEU A 49 9.019 1.941 9.266 1.00 0.00 C ATOM 727 O LEU A 49 10.138 1.906 9.780 1.00 0.00 O ATOM 728 CB LEU A 49 7.887 0.011 8.147 1.00 0.00 C ATOM 729 CG LEU A 49 7.184 -1.343 8.250 1.00 0.00 C ATOM 730 CD1 LEU A 49 7.017 -1.964 6.871 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.959 -2.278 9.167 1.00 0.00 C ATOM 0 H LEU A 49 6.043 1.374 9.156 1.00 0.00 H new ATOM 0 HA LEU A 49 8.426 0.124 10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.337 0.631 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.880 -0.148 7.728 1.00 0.00 H new ATOM 0 HG LEU A 49 6.194 -1.185 8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.515 -2.927 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.420 -1.302 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.997 -2.108 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.444 -3.237 9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.962 -2.430 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.027 -1.838 10.162 1.00 0.00 H new ATOM 743 N LEU A 50 8.594 2.960 8.527 1.00 0.00 N ATOM 744 CA LEU A 50 9.437 4.123 8.271 1.00 0.00 C ATOM 745 C LEU A 50 9.921 4.743 9.579 1.00 0.00 C ATOM 746 O LEU A 50 11.070 5.170 9.687 1.00 0.00 O ATOM 747 CB LEU A 50 8.670 5.163 7.454 1.00 0.00 C ATOM 748 CG LEU A 50 9.520 6.122 6.620 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.731 6.635 5.425 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.010 7.282 7.475 1.00 0.00 C ATOM 0 H LEU A 50 7.671 3.005 8.095 1.00 0.00 H new ATOM 0 HA LEU A 50 10.307 3.793 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.988 4.639 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.057 5.752 8.137 1.00 0.00 H new ATOM 0 HG LEU A 50 10.388 5.577 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.353 7.316 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.431 5.794 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.844 7.163 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.613 7.954 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.154 7.825 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.614 6.898 8.297 1.00 0.00 H new ATOM 762 N ALA A 51 9.036 4.786 10.570 1.00 0.00 N ATOM 763 CA ALA A 51 9.374 5.349 11.871 1.00 0.00 C ATOM 764 C ALA A 51 10.558 4.618 12.495 1.00 0.00 C ATOM 765 O ALA A 51 11.613 5.209 12.726 1.00 0.00 O ATOM 766 CB ALA A 51 8.170 5.295 12.799 1.00 0.00 C ATOM 0 H ALA A 51 8.080 4.438 10.496 1.00 0.00 H new ATOM 0 HA ALA A 51 9.660 6.391 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.437 5.719 13.767 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.351 5.868 12.366 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.858 4.259 12.930 1.00 0.00 H new ATOM 772 N SER A 52 10.376 3.330 12.766 1.00 0.00 N ATOM 773 CA SER A 52 11.428 2.519 13.368 1.00 0.00 C ATOM 774 C SER A 52 12.691 2.545 12.512 1.00 0.00 C ATOM 775 O SER A 52 13.806 2.578 13.032 1.00 0.00 O ATOM 776 CB SER A 52 10.950 1.077 13.548 1.00 0.00 C ATOM 777 OG SER A 52 11.768 0.380 14.472 1.00 0.00 O ATOM 0 H SER A 52 9.510 2.825 12.578 1.00 0.00 H new ATOM 0 HA SER A 52 11.663 2.941 14.345 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.917 1.074 13.897 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.963 0.564 12.587 1.00 0.00 H new ATOM 0 HG SER A 52 11.441 -0.538 14.571 1.00 0.00 H new ATOM 783 N SER A 53 12.506 2.531 11.195 1.00 0.00 N ATOM 784 CA SER A 53 13.629 2.549 10.266 1.00 0.00 C ATOM 785 C SER A 53 14.483 3.797 10.470 1.00 0.00 C ATOM 786 O SER A 53 14.239 4.587 11.382 1.00 0.00 O ATOM 787 CB SER A 53 13.125 2.492 8.822 1.00 0.00 C ATOM 788 OG SER A 53 12.872 1.157 8.423 1.00 0.00 O ATOM 0 H SER A 53 11.589 2.507 10.748 1.00 0.00 H new ATOM 0 HA SER A 53 14.246 1.672 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.213 3.082 8.728 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.864 2.940 8.158 1.00 0.00 H new ATOM 0 HG SER A 53 13.025 1.069 7.459 1.00 0.00 H new ATOM 794 N ILE A 54 15.486 3.966 9.614 1.00 0.00 N ATOM 795 CA ILE A 54 16.375 5.118 9.699 1.00 0.00 C ATOM 796 C ILE A 54 16.125 6.092 8.553 1.00 0.00 C ATOM 797 O ILE A 54 15.937 7.288 8.771 1.00 0.00 O ATOM 798 CB ILE A 54 17.854 4.689 9.679 1.00 0.00 C ATOM 799 CG1 ILE A 54 18.727 5.814 9.118 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.027 3.419 8.859 1.00 0.00 C ATOM 801 CD1 ILE A 54 20.162 5.760 9.594 1.00 0.00 C ATOM 0 H ILE A 54 15.703 3.320 8.855 1.00 0.00 H new ATOM 0 HA ILE A 54 16.160 5.613 10.646 1.00 0.00 H new ATOM 0 HB ILE A 54 18.171 4.484 10.702 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.712 5.766 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.295 6.774 9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.078 3.129 8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.431 2.619 9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 54 17.696 3.598 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.722 6.587 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.188 5.839 10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.612 4.815 9.288 1.00 0.00 H new ATOM 813 N ASN A 55 16.121 5.570 7.330 1.00 0.00 N ATOM 814 CA ASN A 55 15.892 6.394 6.149 1.00 0.00 C ATOM 815 C ASN A 55 14.907 5.719 5.198 1.00 0.00 C ATOM 816 O ASN A 55 13.957 6.342 4.727 1.00 0.00 O ATOM 817 CB ASN A 55 17.213 6.664 5.425 1.00 0.00 C ATOM 818 CG ASN A 55 18.237 7.332 6.322 1.00 0.00 C ATOM 819 OD1 ASN A 55 17.901 7.853 7.386 1.00 0.00 O ATOM 820 ND2 ASN A 55 19.494 7.319 5.895 1.00 0.00 N ATOM 0 H ASN A 55 16.274 4.581 7.132 1.00 0.00 H new ATOM 0 HA ASN A 55 15.464 7.342 6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.619 5.724 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 55 17.026 7.297 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.228 7.753 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.726 6.875 5.006 1.00 0.00 H new ATOM 827 N GLY A 56 15.142 4.440 4.921 1.00 0.00 N ATOM 828 CA GLY A 56 14.268 3.702 4.029 1.00 0.00 C ATOM 829 C GLY A 56 13.358 2.743 4.771 1.00 0.00 C ATOM 830 O GLY A 56 13.628 2.379 5.915 1.00 0.00 O ATOM 0 H GLY A 56 15.922 3.902 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.662 4.404 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.872 3.145 3.313 1.00 0.00 H new ATOM 834 N VAL A 57 12.275 2.332 4.118 1.00 0.00 N ATOM 835 CA VAL A 57 11.322 1.409 4.723 1.00 0.00 C ATOM 836 C VAL A 57 11.515 -0.007 4.193 1.00 0.00 C ATOM 837 O VAL A 57 11.566 -0.226 2.983 1.00 0.00 O ATOM 838 CB VAL A 57 9.870 1.850 4.461 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.892 0.860 5.073 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.633 3.252 5.003 1.00 0.00 C ATOM 0 H VAL A 57 12.036 2.624 3.170 1.00 0.00 H new ATOM 0 HA VAL A 57 11.509 1.420 5.797 1.00 0.00 H new ATOM 0 HB VAL A 57 9.703 1.869 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.871 1.189 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.047 -0.125 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.056 0.805 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.602 3.548 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.818 3.263 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.309 3.951 4.511 1.00 0.00 H new ATOM 850 N ARG A 58 11.622 -0.966 5.107 1.00 0.00 N ATOM 851 CA ARG A 58 11.810 -2.362 4.732 1.00 0.00 C ATOM 852 C ARG A 58 10.468 -3.044 4.483 1.00 0.00 C ATOM 853 O ARG A 58 9.599 -3.065 5.356 1.00 0.00 O ATOM 854 CB ARG A 58 12.578 -3.107 5.825 1.00 0.00 C ATOM 855 CG ARG A 58 12.666 -4.606 5.594 1.00 0.00 C ATOM 856 CD ARG A 58 13.535 -5.282 6.643 1.00 0.00 C ATOM 857 NE ARG A 58 14.902 -4.766 6.636 1.00 0.00 N ATOM 858 CZ ARG A 58 15.945 -5.442 7.106 1.00 0.00 C ATOM 859 NH1 ARG A 58 15.778 -6.654 7.617 1.00 0.00 N ATOM 860 NH2 ARG A 58 17.157 -4.905 7.065 1.00 0.00 N ATOM 0 H ARG A 58 11.582 -0.801 6.113 1.00 0.00 H new ATOM 0 HA ARG A 58 12.388 -2.389 3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.586 -2.698 5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.096 -2.924 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.665 -5.038 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.075 -4.799 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.096 -5.132 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.552 -6.357 6.462 1.00 0.00 H new ATOM 0 HE ARG A 58 15.065 -3.836 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.847 -7.070 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.580 -7.171 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.289 -3.973 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.957 -5.424 7.426 1.00 0.00 H new ATOM 874 N CYS A 59 10.305 -3.600 3.287 1.00 0.00 N ATOM 875 CA CYS A 59 9.070 -4.281 2.922 1.00 0.00 C ATOM 876 C CYS A 59 9.065 -5.716 3.444 1.00 0.00 C ATOM 877 O CYS A 59 9.925 -6.529 3.105 1.00 0.00 O ATOM 878 CB CYS A 59 8.891 -4.279 1.403 1.00 0.00 C ATOM 879 SG CYS A 59 7.211 -4.714 0.851 1.00 0.00 S ATOM 0 H CYS A 59 11.014 -3.592 2.554 1.00 0.00 H new ATOM 0 HA CYS A 59 8.240 -3.743 3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.143 -3.290 1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.599 -4.981 0.964 1.00 0.00 H new ATOM 884 N PRO A 60 8.074 -6.034 4.289 1.00 0.00 N ATOM 885 CA PRO A 60 7.932 -7.371 4.875 1.00 0.00 C ATOM 886 C PRO A 60 7.521 -8.415 3.844 1.00 0.00 C ATOM 887 O PRO A 60 7.264 -9.571 4.184 1.00 0.00 O ATOM 888 CB PRO A 60 6.828 -7.185 5.919 1.00 0.00 C ATOM 889 CG PRO A 60 6.035 -6.023 5.428 1.00 0.00 C ATOM 890 CD PRO A 60 7.014 -5.115 4.738 1.00 0.00 C ATOM 0 HA PRO A 60 8.872 -7.737 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.210 -8.078 6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.246 -6.990 6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.253 -6.347 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.542 -5.510 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.554 -4.591 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.402 -4.354 5.415 1.00 0.00 H new ATOM 898 N PHE A 61 7.460 -8.003 2.582 1.00 0.00 N ATOM 899 CA PHE A 61 7.080 -8.904 1.500 1.00 0.00 C ATOM 900 C PHE A 61 8.296 -9.303 0.671 1.00 0.00 C ATOM 901 O PHE A 61 8.622 -10.485 0.553 1.00 0.00 O ATOM 902 CB PHE A 61 6.031 -8.243 0.603 1.00 0.00 C ATOM 903 CG PHE A 61 4.802 -7.799 1.344 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.174 -8.647 2.242 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.275 -6.534 1.142 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.043 -8.242 2.924 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.143 -6.123 1.822 1.00 0.00 C ATOM 908 CZ PHE A 61 2.527 -6.978 2.715 1.00 0.00 C ATOM 0 H PHE A 61 7.669 -7.050 2.283 1.00 0.00 H new ATOM 0 HA PHE A 61 6.654 -9.804 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.479 -7.381 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.740 -8.944 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.573 -9.636 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.753 -5.861 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.563 -8.913 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.741 -5.135 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.644 -6.659 3.249 1.00 0.00 H new ATOM 918 N CYS A 62 8.966 -8.308 0.097 1.00 0.00 N ATOM 919 CA CYS A 62 10.146 -8.553 -0.723 1.00 0.00 C ATOM 920 C CYS A 62 11.420 -8.204 0.041 1.00 0.00 C ATOM 921 O CYS A 62 12.524 -8.547 -0.383 1.00 0.00 O ATOM 922 CB CYS A 62 10.073 -7.738 -2.015 1.00 0.00 C ATOM 923 SG CYS A 62 9.881 -5.946 -1.754 1.00 0.00 S ATOM 0 H CYS A 62 8.711 -7.324 0.185 1.00 0.00 H new ATOM 0 HA CYS A 62 10.172 -9.614 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.979 -7.915 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.236 -8.099 -2.613 1.00 0.00 H new ATOM 928 N SER A 63 11.259 -7.519 1.169 1.00 0.00 N ATOM 929 CA SER A 63 12.396 -7.120 1.990 1.00 0.00 C ATOM 930 C SER A 63 13.271 -6.110 1.252 1.00 0.00 C ATOM 931 O SER A 63 14.493 -6.106 1.398 1.00 0.00 O ATOM 932 CB SER A 63 13.227 -8.344 2.378 1.00 0.00 C ATOM 933 OG SER A 63 14.205 -8.630 1.392 1.00 0.00 O ATOM 0 H SER A 63 10.352 -7.229 1.535 1.00 0.00 H new ATOM 0 HA SER A 63 12.012 -6.649 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.714 -8.168 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.572 -9.206 2.506 1.00 0.00 H new ATOM 0 HG SER A 63 13.767 -8.988 0.591 1.00 0.00 H new ATOM 939 N LYS A 64 12.635 -5.254 0.460 1.00 0.00 N ATOM 940 CA LYS A 64 13.352 -4.238 -0.301 1.00 0.00 C ATOM 941 C LYS A 64 13.320 -2.894 0.421 1.00 0.00 C ATOM 942 O LYS A 64 12.249 -2.340 0.673 1.00 0.00 O ATOM 943 CB LYS A 64 12.744 -4.093 -1.698 1.00 0.00 C ATOM 944 CG LYS A 64 13.115 -5.222 -2.643 1.00 0.00 C ATOM 945 CD LYS A 64 12.652 -4.937 -4.062 1.00 0.00 C ATOM 946 CE LYS A 64 13.588 -3.969 -4.769 1.00 0.00 C ATOM 947 NZ LYS A 64 13.596 -4.183 -6.243 1.00 0.00 N ATOM 0 H LYS A 64 11.624 -5.244 0.328 1.00 0.00 H new ATOM 0 HA LYS A 64 14.390 -4.556 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.659 -4.046 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.070 -3.147 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.196 -5.365 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.667 -6.152 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.600 -5.870 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.645 -4.521 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.283 -2.945 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.599 -4.090 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.246 -3.504 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.911 -5.152 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.637 -4.042 -6.619 1.00 0.00 H new ATOM 961 N ILE A 65 14.498 -2.376 0.749 1.00 0.00 N ATOM 962 CA ILE A 65 14.604 -1.096 1.439 1.00 0.00 C ATOM 963 C ILE A 65 14.192 0.055 0.528 1.00 0.00 C ATOM 964 O ILE A 65 14.860 0.347 -0.464 1.00 0.00 O ATOM 965 CB ILE A 65 16.036 -0.847 1.947 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.417 -1.891 2.998 1.00 0.00 C ATOM 967 CG2 ILE A 65 16.158 0.557 2.519 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.579 -1.817 4.255 1.00 0.00 C ATOM 0 H ILE A 65 15.393 -2.823 0.548 1.00 0.00 H new ATOM 0 HA ILE A 65 13.928 -1.141 2.293 1.00 0.00 H new ATOM 0 HB ILE A 65 16.724 -0.937 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.318 -2.886 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.466 -1.762 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 65 17.176 0.718 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.924 1.287 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.461 0.673 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.905 -2.586 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.697 -0.835 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.531 -1.976 4.003 1.00 0.00 H new ATOM 980 N THR A 66 13.087 0.709 0.873 1.00 0.00 N ATOM 981 CA THR A 66 12.585 1.830 0.088 1.00 0.00 C ATOM 982 C THR A 66 13.070 3.159 0.655 1.00 0.00 C ATOM 983 O THR A 66 12.495 3.685 1.608 1.00 0.00 O ATOM 984 CB THR A 66 11.045 1.837 0.039 1.00 0.00 C ATOM 985 OG1 THR A 66 10.556 0.510 -0.189 1.00 0.00 O ATOM 986 CG2 THR A 66 10.543 2.764 -1.058 1.00 0.00 C ATOM 0 H THR A 66 12.522 0.481 1.691 1.00 0.00 H new ATOM 0 HA THR A 66 12.973 1.706 -0.923 1.00 0.00 H new ATOM 0 HB THR A 66 10.674 2.200 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.121 0.177 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.453 2.753 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.893 3.778 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.923 2.426 -2.022 1.00 0.00 H new ATOM 994 N ARG A 67 14.130 3.698 0.062 1.00 0.00 N ATOM 995 CA ARG A 67 14.692 4.967 0.508 1.00 0.00 C ATOM 996 C ARG A 67 13.719 6.114 0.251 1.00 0.00 C ATOM 997 O ARG A 67 13.719 6.711 -0.825 1.00 0.00 O ATOM 998 CB ARG A 67 16.019 5.240 -0.203 1.00 0.00 C ATOM 999 CG ARG A 67 17.138 4.300 0.213 1.00 0.00 C ATOM 1000 CD ARG A 67 17.277 3.136 -0.756 1.00 0.00 C ATOM 1001 NE ARG A 67 17.725 3.573 -2.076 1.00 0.00 N ATOM 1002 CZ ARG A 67 17.956 2.742 -3.086 1.00 0.00 C ATOM 1003 NH1 ARG A 67 17.782 1.437 -2.928 1.00 0.00 N ATOM 1004 NH2 ARG A 67 18.362 3.216 -4.257 1.00 0.00 N ATOM 0 H ARG A 67 14.617 3.276 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 67 14.870 4.899 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.868 5.158 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.325 6.267 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 67 18.078 4.850 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.941 3.919 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.986 2.412 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.318 2.625 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 67 17.868 4.571 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.470 1.069 -2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.960 0.801 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.497 4.219 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.539 2.577 -5.032 1.00 0.00 H new ATOM 1018 N ILE A 68 12.891 6.415 1.246 1.00 0.00 N ATOM 1019 CA ILE A 68 11.914 7.490 1.127 1.00 0.00 C ATOM 1020 C ILE A 68 11.519 8.028 2.498 1.00 0.00 C ATOM 1021 O ILE A 68 10.776 7.385 3.240 1.00 0.00 O ATOM 1022 CB ILE A 68 10.647 7.019 0.389 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.131 5.714 0.997 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.934 6.842 -1.095 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.958 5.906 1.933 1.00 0.00 C ATOM 0 H ILE A 68 12.877 5.930 2.143 1.00 0.00 H new ATOM 0 HA ILE A 68 12.387 8.284 0.550 1.00 0.00 H new ATOM 0 HB ILE A 68 9.875 7.780 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 68 9.837 5.039 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.943 5.229 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.029 6.509 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.259 7.792 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.719 6.098 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.645 4.939 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.253 6.555 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.130 6.362 1.390 1.00 0.00 H new ATOM 1037 N THR A 69 12.021 9.214 2.830 1.00 0.00 N ATOM 1038 CA THR A 69 11.721 9.839 4.111 1.00 0.00 C ATOM 1039 C THR A 69 10.259 10.266 4.186 1.00 0.00 C ATOM 1040 O THR A 69 9.639 10.205 5.247 1.00 0.00 O ATOM 1041 CB THR A 69 12.616 11.069 4.359 1.00 0.00 C ATOM 1042 OG1 THR A 69 12.221 11.726 5.569 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.530 12.044 3.195 1.00 0.00 C ATOM 0 H THR A 69 12.637 9.760 2.228 1.00 0.00 H new ATOM 0 HA THR A 69 11.919 9.093 4.881 1.00 0.00 H new ATOM 0 HB THR A 69 13.647 10.728 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.795 12.506 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.170 12.904 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.859 11.549 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.499 12.378 3.076 1.00 0.00 H new ATOM 1051 N SER A 70 9.715 10.696 3.053 1.00 0.00 N ATOM 1052 CA SER A 70 8.325 11.136 2.991 1.00 0.00 C ATOM 1053 C SER A 70 7.459 10.100 2.280 1.00 0.00 C ATOM 1054 O SER A 70 7.856 9.538 1.258 1.00 0.00 O ATOM 1055 CB SER A 70 8.226 12.482 2.271 1.00 0.00 C ATOM 1056 OG SER A 70 8.526 13.553 3.149 1.00 0.00 O ATOM 0 H SER A 70 10.214 10.749 2.165 1.00 0.00 H new ATOM 0 HA SER A 70 7.959 11.251 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.914 12.497 1.425 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.222 12.609 1.867 1.00 0.00 H new ATOM 0 HG SER A 70 8.457 14.402 2.665 1.00 0.00 H new ATOM 1062 N LEU A 71 6.274 9.854 2.827 1.00 0.00 N ATOM 1063 CA LEU A 71 5.350 8.886 2.246 1.00 0.00 C ATOM 1064 C LEU A 71 5.018 9.249 0.802 1.00 0.00 C ATOM 1065 O LEU A 71 4.564 8.407 0.026 1.00 0.00 O ATOM 1066 CB LEU A 71 4.066 8.817 3.074 1.00 0.00 C ATOM 1067 CG LEU A 71 4.249 8.725 4.589 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.904 8.802 5.295 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.976 7.442 4.962 1.00 0.00 C ATOM 0 H LEU A 71 5.930 10.311 3.672 1.00 0.00 H new ATOM 0 HA LEU A 71 5.833 7.909 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.467 9.701 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.491 7.952 2.744 1.00 0.00 H new ATOM 0 HG LEU A 71 4.856 9.570 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.054 8.735 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.420 9.749 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.272 7.978 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.097 7.394 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.396 6.584 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.957 7.428 4.486 1.00 0.00 H new ATOM 1081 N THR A 72 5.250 10.509 0.445 1.00 0.00 N ATOM 1082 CA THR A 72 4.977 10.983 -0.905 1.00 0.00 C ATOM 1083 C THR A 72 6.106 10.609 -1.858 1.00 0.00 C ATOM 1084 O THR A 72 5.877 10.378 -3.045 1.00 0.00 O ATOM 1085 CB THR A 72 4.781 12.511 -0.935 1.00 0.00 C ATOM 1086 OG1 THR A 72 4.498 12.943 -2.271 1.00 0.00 O ATOM 1087 CG2 THR A 72 6.020 13.226 -0.417 1.00 0.00 C ATOM 0 H THR A 72 5.626 11.219 1.073 1.00 0.00 H new ATOM 0 HA THR A 72 4.056 10.499 -1.229 1.00 0.00 H new ATOM 0 HB THR A 72 3.940 12.760 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.373 13.915 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.858 14.303 -0.448 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.215 12.918 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.876 12.970 -1.042 1.00 0.00 H new ATOM 1095 N GLN A 73 7.324 10.549 -1.331 1.00 0.00 N ATOM 1096 CA GLN A 73 8.489 10.202 -2.136 1.00 0.00 C ATOM 1097 C GLN A 73 8.237 8.929 -2.937 1.00 0.00 C ATOM 1098 O GLN A 73 8.205 8.953 -4.168 1.00 0.00 O ATOM 1099 CB GLN A 73 9.718 10.023 -1.243 1.00 0.00 C ATOM 1100 CG GLN A 73 10.438 11.324 -0.930 1.00 0.00 C ATOM 1101 CD GLN A 73 11.923 11.128 -0.694 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.334 10.610 0.345 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.736 11.541 -1.659 1.00 0.00 N ATOM 0 H GLN A 73 7.530 10.736 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 73 8.673 11.018 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.412 9.553 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.414 9.340 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.294 12.022 -1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.991 11.779 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.351 11.965 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.745 11.434 -1.556 1.00 0.00 H new ATOM 1112 N LEU A 74 8.059 7.818 -2.231 1.00 0.00 N ATOM 1113 CA LEU A 74 7.810 6.533 -2.876 1.00 0.00 C ATOM 1114 C LEU A 74 6.659 6.638 -3.872 1.00 0.00 C ATOM 1115 O LEU A 74 6.009 7.678 -3.979 1.00 0.00 O ATOM 1116 CB LEU A 74 7.497 5.465 -1.827 1.00 0.00 C ATOM 1117 CG LEU A 74 6.451 5.842 -0.778 1.00 0.00 C ATOM 1118 CD1 LEU A 74 5.153 6.269 -1.447 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.205 4.679 0.173 1.00 0.00 C ATOM 0 H LEU A 74 8.082 7.781 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 74 8.711 6.246 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.158 4.566 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.423 5.208 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 74 6.832 6.684 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.421 6.534 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.340 7.132 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.768 5.447 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.458 4.966 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.846 3.818 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.135 4.420 0.679 1.00 0.00 H new ATOM 1131 N THR A 75 6.411 5.552 -4.598 1.00 0.00 N ATOM 1132 CA THR A 75 5.338 5.520 -5.583 1.00 0.00 C ATOM 1133 C THR A 75 3.973 5.439 -4.908 1.00 0.00 C ATOM 1134 O THR A 75 3.797 4.712 -3.930 1.00 0.00 O ATOM 1135 CB THR A 75 5.494 4.328 -6.546 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.734 4.430 -7.255 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.340 4.278 -7.536 1.00 0.00 C ATOM 0 H THR A 75 6.939 4.683 -4.522 1.00 0.00 H new ATOM 0 HA THR A 75 5.404 6.448 -6.152 1.00 0.00 H new ATOM 0 HB THR A 75 5.487 3.410 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.826 3.668 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.472 3.428 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.400 4.171 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.320 5.199 -8.118 1.00 0.00 H new ATOM 1145 N ASP A 76 3.012 6.188 -5.436 1.00 0.00 N ATOM 1146 CA ASP A 76 1.661 6.198 -4.885 1.00 0.00 C ATOM 1147 C ASP A 76 0.795 5.132 -5.548 1.00 0.00 C ATOM 1148 O ASP A 76 1.004 4.783 -6.709 1.00 0.00 O ATOM 1149 CB ASP A 76 1.024 7.577 -5.067 1.00 0.00 C ATOM 1150 CG ASP A 76 1.846 8.683 -4.436 1.00 0.00 C ATOM 1151 OD1 ASP A 76 3.091 8.606 -4.498 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.245 9.625 -3.879 1.00 0.00 O ATOM 0 H ASP A 76 3.142 6.796 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 76 1.728 5.974 -3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.903 7.780 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.027 7.574 -4.628 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.177 4.618 -4.802 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.073 3.590 -5.317 1.00 0.00 C ATOM 1159 C ASN A 77 -2.527 4.046 -5.238 1.00 0.00 C ATOM 1160 O ASN A 77 -3.325 3.487 -4.486 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.893 2.287 -4.534 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.817 1.188 -5.021 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -2.973 1.103 -4.604 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.311 0.339 -5.907 1.00 0.00 N ATOM 0 H ASN A 77 -0.364 4.897 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.821 3.416 -6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.141 1.954 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.080 2.473 -3.476 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.885 -0.422 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.348 0.447 -6.225 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.864 5.066 -6.021 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.222 5.598 -6.041 1.00 0.00 C ATOM 1173 C LEU A 78 -5.118 4.769 -6.955 1.00 0.00 C ATOM 1174 O LEU A 78 -6.165 5.236 -7.407 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.212 7.057 -6.503 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.386 7.359 -7.754 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.940 7.648 -7.382 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.465 6.200 -8.738 1.00 0.00 C ATOM 0 H LEU A 78 -2.216 5.540 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.621 5.547 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.241 7.366 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.836 7.673 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.800 8.246 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.368 7.861 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.901 8.510 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.514 6.781 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.871 6.432 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.077 5.296 -8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.503 6.040 -9.030 1.00 0.00 H new ATOM 1190 N THR A 79 -4.702 3.535 -7.223 1.00 0.00 N ATOM 1191 CA THR A 79 -5.467 2.641 -8.082 1.00 0.00 C ATOM 1192 C THR A 79 -6.545 1.908 -7.292 1.00 0.00 C ATOM 1193 O THR A 79 -7.601 1.571 -7.827 1.00 0.00 O ATOM 1194 CB THR A 79 -4.556 1.605 -8.769 1.00 0.00 C ATOM 1195 OG1 THR A 79 -5.317 0.821 -9.695 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.903 0.694 -7.741 1.00 0.00 C ATOM 0 H THR A 79 -3.839 3.132 -6.857 1.00 0.00 H new ATOM 0 HA THR A 79 -5.938 3.262 -8.844 1.00 0.00 H new ATOM 0 HB THR A 79 -3.773 2.141 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.731 0.166 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.265 -0.029 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.301 1.291 -7.056 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.674 0.166 -7.180 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.272 1.663 -6.014 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.220 0.972 -5.149 1.00 0.00 C ATOM 1206 C VAL A 80 -8.365 1.892 -4.741 1.00 0.00 C ATOM 1207 O VAL A 80 -9.459 1.431 -4.411 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.532 0.433 -3.880 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.645 -0.756 -4.217 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.728 1.533 -3.203 1.00 0.00 C ATOM 0 H VAL A 80 -5.402 1.933 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.618 0.134 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.302 0.096 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.168 -1.123 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.251 -1.550 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.880 -0.449 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.249 1.135 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.966 1.902 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.393 2.351 -2.925 1.00 0.00 H new ATOM 1220 N LEU A 81 -8.107 3.195 -4.766 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.117 4.182 -4.399 1.00 0.00 C ATOM 1222 C LEU A 81 -10.175 4.309 -5.490 1.00 0.00 C ATOM 1223 O LEU A 81 -11.365 4.443 -5.204 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.462 5.541 -4.147 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.440 5.593 -3.011 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.531 6.803 -3.166 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.144 5.622 -1.662 1.00 0.00 C ATOM 0 H LEU A 81 -7.207 3.593 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.604 3.845 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.971 5.861 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.247 6.267 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.825 4.694 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.810 6.824 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.001 6.740 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.130 7.713 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.402 5.659 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.783 6.503 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.752 4.725 -1.550 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.735 4.263 -6.743 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.643 4.369 -7.879 1.00 0.00 C ATOM 1241 C LYS A 82 -11.091 2.989 -8.348 1.00 0.00 C ATOM 1242 O LYS A 82 -10.326 2.026 -8.294 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.968 5.117 -9.030 1.00 0.00 C ATOM 1244 CG LYS A 82 -8.736 4.414 -9.573 1.00 0.00 C ATOM 1245 CD LYS A 82 -9.090 3.462 -10.703 1.00 0.00 C ATOM 1246 CE LYS A 82 -7.865 3.095 -11.527 1.00 0.00 C ATOM 1247 NZ LYS A 82 -8.209 2.190 -12.659 1.00 0.00 N ATOM 0 H LYS A 82 -8.753 4.153 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 82 -11.523 4.927 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.687 5.248 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.687 6.113 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.021 5.155 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.248 3.862 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.537 2.557 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.839 3.923 -11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.403 4.003 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.128 2.611 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.348 1.963 -13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.627 1.313 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.893 2.661 -13.285 1.00 0.00 H new ATOM 1261 N SER A 83 -12.334 2.901 -8.810 1.00 0.00 N ATOM 1262 CA SER A 83 -12.884 1.637 -9.287 1.00 0.00 C ATOM 1263 C SER A 83 -12.978 1.626 -10.810 1.00 0.00 C ATOM 1264 O SER A 83 -12.470 0.719 -11.468 1.00 0.00 O ATOM 1265 CB SER A 83 -14.267 1.396 -8.678 1.00 0.00 C ATOM 1266 OG SER A 83 -14.760 0.113 -9.024 1.00 0.00 O ATOM 0 H SER A 83 -12.979 3.689 -8.864 1.00 0.00 H new ATOM 0 HA SER A 83 -12.213 0.836 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.211 1.487 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.960 2.162 -9.027 1.00 0.00 H new ATOM 0 HG SER A 83 -15.644 -0.017 -8.621 1.00 0.00 H new ATOM 1272 N GLY A 84 -13.632 2.643 -11.364 1.00 0.00 N ATOM 1273 CA GLY A 84 -13.781 2.732 -12.805 1.00 0.00 C ATOM 1274 C GLY A 84 -13.835 4.165 -13.295 1.00 0.00 C ATOM 1275 O GLY A 84 -13.868 5.112 -12.508 1.00 0.00 O ATOM 0 H GLY A 84 -14.061 3.406 -10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.948 2.218 -13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.692 2.214 -13.106 1.00 0.00 H new ATOM 1279 N PRO A 85 -13.844 4.340 -14.625 1.00 0.00 N ATOM 1280 CA PRO A 85 -13.893 5.666 -15.248 1.00 0.00 C ATOM 1281 C PRO A 85 -15.242 6.350 -15.051 1.00 0.00 C ATOM 1282 O PRO A 85 -16.250 5.692 -14.792 1.00 0.00 O ATOM 1283 CB PRO A 85 -13.655 5.370 -16.731 1.00 0.00 C ATOM 1284 CG PRO A 85 -14.111 3.963 -16.914 1.00 0.00 C ATOM 1285 CD PRO A 85 -13.806 3.257 -15.622 1.00 0.00 C ATOM 0 HA PRO A 85 -13.163 6.348 -14.813 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -14.217 6.054 -17.367 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.603 5.483 -16.993 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.177 3.924 -17.137 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.593 3.490 -17.749 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.542 2.483 -15.403 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.831 2.771 -15.650 1.00 0.00 H new ATOM 1293 N SER A 86 -15.253 7.673 -15.176 1.00 0.00 N ATOM 1294 CA SER A 86 -16.478 8.446 -15.008 1.00 0.00 C ATOM 1295 C SER A 86 -16.951 9.011 -16.344 1.00 0.00 C ATOM 1296 O SER A 86 -16.249 8.923 -17.351 1.00 0.00 O ATOM 1297 CB SER A 86 -16.256 9.583 -14.010 1.00 0.00 C ATOM 1298 OG SER A 86 -15.352 10.545 -14.525 1.00 0.00 O ATOM 0 H SER A 86 -14.428 8.232 -15.393 1.00 0.00 H new ATOM 0 HA SER A 86 -17.249 7.779 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.208 10.061 -13.781 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.868 9.179 -13.075 1.00 0.00 H new ATOM 0 HG SER A 86 -15.228 11.262 -13.869 1.00 0.00 H new ATOM 1304 N SER A 87 -18.146 9.593 -16.344 1.00 0.00 N ATOM 1305 CA SER A 87 -18.716 10.170 -17.556 1.00 0.00 C ATOM 1306 C SER A 87 -19.397 11.501 -17.255 1.00 0.00 C ATOM 1307 O SER A 87 -20.184 11.611 -16.315 1.00 0.00 O ATOM 1308 CB SER A 87 -19.719 9.201 -18.184 1.00 0.00 C ATOM 1309 OG SER A 87 -20.419 9.815 -19.253 1.00 0.00 O ATOM 0 H SER A 87 -18.738 9.677 -15.518 1.00 0.00 H new ATOM 0 HA SER A 87 -17.904 10.349 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 87 -19.196 8.316 -18.548 1.00 0.00 H new ATOM 0 HB3 SER A 87 -20.427 8.864 -17.427 1.00 0.00 H new ATOM 0 HG SER A 87 -21.053 9.175 -19.639 1.00 0.00 H new ATOM 1315 N GLY A 88 -19.088 12.513 -18.061 1.00 0.00 N ATOM 1316 CA GLY A 88 -19.678 13.824 -17.865 1.00 0.00 C ATOM 1317 C GLY A 88 -21.169 13.755 -17.600 1.00 0.00 C ATOM 1318 O GLY A 88 -21.872 14.726 -17.876 1.00 0.00 O ATOM 0 H GLY A 88 -18.440 12.448 -18.846 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.186 14.319 -17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -19.497 14.436 -18.748 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -2.021 -1.829 6.440 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.648 -5.408 -1.375 1.00 0.00 ZN