USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 782 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 70 HIS : no HD1:sc= -0.54! C(o=-2.8!,f=-11!) USER MOD Set 1.2: A 90 GLN : amide:sc= -4.17! C(o=-2.8!,f=-12!) USER MOD Set 1.3: A 91 LYS NZ :NH3+ -169:sc= 1.86 (180deg=1.34) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.86! C(o=-3!,f=-3.8!) USER MOD Set 2.2: A 64 ASN : amide:sc= -1.14 K(o=-3,f=-4.2) USER MOD Set 2.3: A 94 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 LYS NZ :NH3+ -145:sc= 0.624 (180deg=0) USER MOD Set 3.2: A 21 SER OG : rot -150:sc= -0.567 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0157 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0393) USER MOD Single : A 6 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.024) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.96! C(o=-2!,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.762) USER MOD Single : A 24 SER OG : rot 22:sc= 0.502 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.437 F(o=-3,f=-0.44) USER MOD Single : A 32 SER OG : rot 180:sc= 0.157 USER MOD Single : A 33 TYR OH : rot 146:sc= 0.024 USER MOD Single : A 34 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.2!) USER MOD Single : A 37 SER OG : rot 81:sc= 0.958 USER MOD Single : A 38 ASN : amide:sc= -11.1! C(o=-11!,f=-14!) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.859 F(o=-1.9,f=-0.86) USER MOD Single : A 44 SER OG : rot 87:sc= 0.0934 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.108 F(o=-1.4,f=-0.11) USER MOD Single : A 67 MET CE :methyl 138:sc= -0.198 (180deg=-0.871) USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= 1.05 (180deg=0.954) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 1.48 (180deg=0.304) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00739 USER MOD Single : A 98 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.88) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.667 6.262 4.515 1.00 0.00 N ATOM 2 CA GLY A 1 -31.436 5.157 5.475 1.00 0.00 C ATOM 3 C GLY A 1 -30.269 4.291 5.056 1.00 0.00 C ATOM 4 O GLY A 1 -30.067 4.047 3.865 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.375 7.163 4.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.111 6.094 3.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.677 6.306 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.247 5.569 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.335 4.546 5.550 1.00 0.00 H new ATOM 10 N SER A 2 -29.496 3.831 6.029 1.00 0.00 N ATOM 11 CA SER A 2 -28.305 3.039 5.760 1.00 0.00 C ATOM 12 C SER A 2 -28.659 1.598 5.386 1.00 0.00 C ATOM 13 O SER A 2 -28.344 0.659 6.117 1.00 0.00 O ATOM 14 CB SER A 2 -27.387 3.057 6.984 1.00 0.00 C ATOM 15 OG SER A 2 -27.061 4.388 7.352 1.00 0.00 O ATOM 0 H SER A 2 -29.675 3.995 7.020 1.00 0.00 H new ATOM 0 HA SER A 2 -27.788 3.482 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.876 2.554 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.475 2.501 6.768 1.00 0.00 H new ATOM 0 HG SER A 2 -26.475 4.376 8.137 1.00 0.00 H new ATOM 21 N GLU A 3 -29.326 1.427 4.252 1.00 0.00 N ATOM 22 CA GLU A 3 -29.587 0.096 3.722 1.00 0.00 C ATOM 23 C GLU A 3 -28.514 -0.268 2.702 1.00 0.00 C ATOM 24 O GLU A 3 -28.313 -1.435 2.376 1.00 0.00 O ATOM 25 CB GLU A 3 -30.973 0.020 3.072 1.00 0.00 C ATOM 26 CG GLU A 3 -31.134 0.931 1.867 1.00 0.00 C ATOM 27 CD GLU A 3 -32.434 0.695 1.129 1.00 0.00 C ATOM 28 OE1 GLU A 3 -33.470 1.253 1.546 1.00 0.00 O ATOM 29 OE2 GLU A 3 -32.427 -0.047 0.124 1.00 0.00 O ATOM 0 H GLU A 3 -29.695 2.190 3.684 1.00 0.00 H new ATOM 0 HA GLU A 3 -29.563 -0.614 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -31.165 -1.009 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -31.728 0.278 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -31.089 1.970 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -30.299 0.775 1.184 1.00 0.00 H new ATOM 36 N LYS A 4 -27.828 0.753 2.206 1.00 0.00 N ATOM 37 CA LYS A 4 -26.778 0.571 1.217 1.00 0.00 C ATOM 38 C LYS A 4 -25.414 0.672 1.884 1.00 0.00 C ATOM 39 O LYS A 4 -24.844 1.757 1.989 1.00 0.00 O ATOM 40 CB LYS A 4 -26.902 1.629 0.118 1.00 0.00 C ATOM 41 CG LYS A 4 -28.281 1.685 -0.521 1.00 0.00 C ATOM 42 CD LYS A 4 -28.393 2.830 -1.515 1.00 0.00 C ATOM 43 CE LYS A 4 -29.808 2.964 -2.058 1.00 0.00 C ATOM 44 NZ LYS A 4 -30.219 1.780 -2.855 1.00 0.00 N ATOM 0 H LYS A 4 -27.983 1.724 2.477 1.00 0.00 H new ATOM 0 HA LYS A 4 -26.882 -0.417 0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -26.666 2.607 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.161 1.426 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.486 0.742 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -29.037 1.801 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.098 3.762 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -27.700 2.665 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -30.502 3.100 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -29.874 3.858 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -31.155 1.952 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -29.526 1.614 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -30.264 0.944 -2.237 1.00 0.00 H new ATOM 58 N ARG A 5 -24.905 -0.456 2.354 1.00 0.00 N ATOM 59 CA ARG A 5 -23.617 -0.486 3.028 1.00 0.00 C ATOM 60 C ARG A 5 -22.833 -1.721 2.596 1.00 0.00 C ATOM 61 O ARG A 5 -21.883 -1.611 1.822 1.00 0.00 O ATOM 62 CB ARG A 5 -23.819 -0.461 4.550 1.00 0.00 C ATOM 63 CG ARG A 5 -22.526 -0.478 5.348 1.00 0.00 C ATOM 64 CD ARG A 5 -22.791 -0.301 6.836 1.00 0.00 C ATOM 65 NE ARG A 5 -23.307 1.038 7.140 1.00 0.00 N ATOM 66 CZ ARG A 5 -24.015 1.348 8.229 1.00 0.00 C ATOM 67 NH1 ARG A 5 -24.333 0.411 9.116 1.00 0.00 N ATOM 68 NH2 ARG A 5 -24.416 2.600 8.416 1.00 0.00 N ATOM 0 H ARG A 5 -25.365 -1.364 2.281 1.00 0.00 H new ATOM 0 HA ARG A 5 -23.042 0.397 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -24.386 0.431 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.423 -1.321 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -22.005 -1.420 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -21.869 0.318 4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -23.508 -1.051 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -21.869 -0.471 7.392 1.00 0.00 H new ATOM 0 HE ARG A 5 -23.111 1.784 6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -24.036 -0.553 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -24.874 0.656 9.945 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -24.183 3.318 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -24.957 2.844 9.246 1.00 0.00 H new ATOM 82 N GLN A 6 -23.271 -2.885 3.081 1.00 0.00 N ATOM 83 CA GLN A 6 -22.670 -4.177 2.738 1.00 0.00 C ATOM 84 C GLN A 6 -21.226 -4.277 3.236 1.00 0.00 C ATOM 85 O GLN A 6 -20.337 -3.575 2.759 1.00 0.00 O ATOM 86 CB GLN A 6 -22.720 -4.411 1.223 1.00 0.00 C ATOM 87 CG GLN A 6 -22.346 -5.825 0.801 1.00 0.00 C ATOM 88 CD GLN A 6 -23.384 -6.852 1.211 1.00 0.00 C ATOM 89 OE1 GLN A 6 -24.324 -7.128 0.468 1.00 0.00 O ATOM 90 NE2 GLN A 6 -23.218 -7.437 2.389 1.00 0.00 N ATOM 0 H GLN A 6 -24.057 -2.959 3.727 1.00 0.00 H new ATOM 0 HA GLN A 6 -23.254 -4.950 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -23.726 -4.190 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -22.046 -3.707 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -22.219 -5.855 -0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -21.385 -6.089 1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.425 -7.182 2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -23.883 -8.142 2.706 1.00 0.00 H new ATOM 99 N HIS A 7 -20.983 -5.184 4.175 1.00 0.00 N ATOM 100 CA HIS A 7 -19.635 -5.384 4.705 1.00 0.00 C ATOM 101 C HIS A 7 -18.757 -6.167 3.730 1.00 0.00 C ATOM 102 O HIS A 7 -17.733 -6.726 4.109 1.00 0.00 O ATOM 103 CB HIS A 7 -19.677 -6.080 6.065 1.00 0.00 C ATOM 104 CG HIS A 7 -19.959 -5.146 7.198 1.00 0.00 C ATOM 105 ND1 HIS A 7 -21.225 -4.720 7.523 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.126 -4.549 8.082 1.00 0.00 C ATOM 107 CE1 HIS A 7 -21.161 -3.905 8.556 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.900 -3.784 8.915 1.00 0.00 N ATOM 0 H HIS A 7 -21.694 -5.790 4.584 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.190 -4.398 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -20.441 -6.857 6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.723 -6.576 6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.052 -4.656 8.123 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.001 -3.418 9.029 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.555 -3.214 9.687 1.00 0.00 H new ATOM 117 N SER A 8 -19.173 -6.210 2.478 1.00 0.00 N ATOM 118 CA SER A 8 -18.336 -6.727 1.415 1.00 0.00 C ATOM 119 C SER A 8 -17.609 -5.563 0.750 1.00 0.00 C ATOM 120 O SER A 8 -16.562 -5.735 0.125 1.00 0.00 O ATOM 121 CB SER A 8 -19.183 -7.488 0.393 1.00 0.00 C ATOM 122 OG SER A 8 -19.982 -8.472 1.030 1.00 0.00 O ATOM 0 H SER A 8 -20.092 -5.890 2.172 1.00 0.00 H new ATOM 0 HA SER A 8 -17.605 -7.422 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.822 -6.790 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.533 -7.962 -0.343 1.00 0.00 H new ATOM 0 HG SER A 8 -20.516 -8.945 0.358 1.00 0.00 H new ATOM 128 N SER A 9 -18.156 -4.363 0.939 1.00 0.00 N ATOM 129 CA SER A 9 -17.606 -3.160 0.341 1.00 0.00 C ATOM 130 C SER A 9 -16.606 -2.521 1.297 1.00 0.00 C ATOM 131 O SER A 9 -16.687 -1.336 1.622 1.00 0.00 O ATOM 132 CB SER A 9 -18.734 -2.179 0.014 1.00 0.00 C ATOM 133 OG SER A 9 -19.803 -2.840 -0.646 1.00 0.00 O ATOM 0 H SER A 9 -18.987 -4.204 1.508 1.00 0.00 H new ATOM 0 HA SER A 9 -17.091 -3.420 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.098 -1.717 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 9 -18.352 -1.376 -0.617 1.00 0.00 H new ATOM 0 HG SER A 9 -20.514 -2.195 -0.844 1.00 0.00 H new ATOM 139 N GLN A 10 -15.655 -3.322 1.741 1.00 0.00 N ATOM 140 CA GLN A 10 -14.660 -2.868 2.685 1.00 0.00 C ATOM 141 C GLN A 10 -13.341 -2.741 1.958 1.00 0.00 C ATOM 142 O GLN A 10 -12.332 -3.338 2.343 1.00 0.00 O ATOM 143 CB GLN A 10 -14.543 -3.826 3.872 1.00 0.00 C ATOM 144 CG GLN A 10 -15.877 -4.135 4.537 1.00 0.00 C ATOM 145 CD GLN A 10 -15.722 -4.677 5.947 1.00 0.00 C ATOM 146 OE1 GLN A 10 -16.525 -5.490 6.406 1.00 0.00 O ATOM 147 NE2 GLN A 10 -14.706 -4.217 6.653 1.00 0.00 N ATOM 0 H GLN A 10 -15.554 -4.297 1.458 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.954 -1.900 3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.090 -4.758 3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.869 -3.395 4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.482 -3.229 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.420 -4.861 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.061 -3.544 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.566 -4.535 7.612 1.00 0.00 H new ATOM 156 N ASP A 11 -13.404 -2.019 0.849 1.00 0.00 N ATOM 157 CA ASP A 11 -12.237 -1.696 0.047 1.00 0.00 C ATOM 158 C ASP A 11 -11.112 -1.152 0.908 1.00 0.00 C ATOM 159 O ASP A 11 -11.346 -0.430 1.881 1.00 0.00 O ATOM 160 CB ASP A 11 -12.585 -0.668 -1.039 1.00 0.00 C ATOM 161 CG ASP A 11 -13.071 0.659 -0.486 1.00 0.00 C ATOM 162 OD1 ASP A 11 -14.281 0.780 -0.201 1.00 0.00 O ATOM 163 OD2 ASP A 11 -12.252 1.594 -0.358 1.00 0.00 O ATOM 0 H ASP A 11 -14.275 -1.638 0.479 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.906 -2.620 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.705 -0.494 -1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.354 -1.085 -1.689 1.00 0.00 H new ATOM 168 N VAL A 12 -9.892 -1.515 0.563 1.00 0.00 N ATOM 169 CA VAL A 12 -8.742 -0.972 1.244 1.00 0.00 C ATOM 170 C VAL A 12 -7.808 -0.339 0.244 1.00 0.00 C ATOM 171 O VAL A 12 -7.528 -0.896 -0.824 1.00 0.00 O ATOM 172 CB VAL A 12 -7.961 -2.013 2.082 1.00 0.00 C ATOM 173 CG1 VAL A 12 -8.868 -2.672 3.111 1.00 0.00 C ATOM 174 CG2 VAL A 12 -7.286 -3.048 1.190 1.00 0.00 C ATOM 0 H VAL A 12 -9.676 -2.179 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.127 -0.231 1.944 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.174 -1.487 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.296 -3.399 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.269 -1.912 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.689 -3.177 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.746 -3.765 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.041 -3.571 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.587 -2.549 0.518 1.00 0.00 H new ATOM 184 N HIS A 13 -7.368 0.845 0.571 1.00 0.00 N ATOM 185 CA HIS A 13 -6.344 1.495 -0.193 1.00 0.00 C ATOM 186 C HIS A 13 -5.054 1.403 0.606 1.00 0.00 C ATOM 187 O HIS A 13 -4.835 2.173 1.540 1.00 0.00 O ATOM 188 CB HIS A 13 -6.743 2.955 -0.441 1.00 0.00 C ATOM 189 CG HIS A 13 -5.940 3.638 -1.497 1.00 0.00 C ATOM 190 ND1 HIS A 13 -5.165 4.750 -1.255 1.00 0.00 N ATOM 191 CD2 HIS A 13 -5.819 3.374 -2.816 1.00 0.00 C ATOM 192 CE1 HIS A 13 -4.601 5.141 -2.379 1.00 0.00 C ATOM 193 NE2 HIS A 13 -4.976 4.323 -3.344 1.00 0.00 N ATOM 0 H HIS A 13 -7.708 1.382 1.369 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.208 1.020 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.796 2.989 -0.722 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.643 3.510 0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.295 2.568 -3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.942 5.989 -2.492 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.688 4.385 -4.321 1.00 0.00 H new ATOM 202 N VAL A 14 -4.198 0.468 0.229 1.00 0.00 N ATOM 203 CA VAL A 14 -2.997 0.203 0.999 1.00 0.00 C ATOM 204 C VAL A 14 -1.786 0.800 0.316 1.00 0.00 C ATOM 205 O VAL A 14 -1.495 0.518 -0.847 1.00 0.00 O ATOM 206 CB VAL A 14 -2.776 -1.306 1.276 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.850 -1.836 2.210 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.754 -2.117 -0.009 1.00 0.00 C ATOM 0 H VAL A 14 -4.312 -0.116 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.136 0.681 1.969 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.802 -1.412 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.681 -2.897 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.811 -1.293 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.830 -1.699 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.597 -3.169 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.705 -2.000 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.945 -1.764 -0.648 1.00 0.00 H new ATOM 218 N VAL A 15 -1.104 1.660 1.039 1.00 0.00 N ATOM 219 CA VAL A 15 0.033 2.360 0.497 1.00 0.00 C ATOM 220 C VAL A 15 1.265 1.484 0.523 1.00 0.00 C ATOM 221 O VAL A 15 1.590 0.868 1.538 1.00 0.00 O ATOM 222 CB VAL A 15 0.296 3.684 1.256 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.710 3.425 2.699 1.00 0.00 C ATOM 224 CG2 VAL A 15 1.338 4.528 0.533 1.00 0.00 C ATOM 0 H VAL A 15 -1.321 1.890 2.009 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.197 2.607 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.639 4.244 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.887 4.375 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.084 2.884 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.624 2.831 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.505 5.452 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.273 3.972 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.983 4.764 -0.470 1.00 0.00 H new ATOM 234 N LEU A 16 1.912 1.390 -0.615 1.00 0.00 N ATOM 235 CA LEU A 16 3.195 0.747 -0.694 1.00 0.00 C ATOM 236 C LEU A 16 4.223 1.789 -1.064 1.00 0.00 C ATOM 237 O LEU A 16 4.160 2.383 -2.132 1.00 0.00 O ATOM 238 CB LEU A 16 3.202 -0.386 -1.725 1.00 0.00 C ATOM 239 CG LEU A 16 4.229 -1.493 -1.460 1.00 0.00 C ATOM 240 CD1 LEU A 16 4.196 -2.545 -2.548 1.00 0.00 C ATOM 241 CD2 LEU A 16 5.634 -0.939 -1.344 1.00 0.00 C ATOM 0 H LEU A 16 1.565 1.754 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 16 3.427 0.301 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.208 -0.833 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.394 0.040 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 16 3.954 -1.951 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.935 -3.316 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.204 -2.995 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.425 -2.083 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.332 -1.755 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.905 -0.436 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.678 -0.227 -0.520 1.00 0.00 H new ATOM 253 N LYS A 17 5.165 2.005 -0.185 1.00 0.00 N ATOM 254 CA LYS A 17 6.201 2.967 -0.439 1.00 0.00 C ATOM 255 C LYS A 17 7.475 2.248 -0.838 1.00 0.00 C ATOM 256 O LYS A 17 7.865 1.247 -0.232 1.00 0.00 O ATOM 257 CB LYS A 17 6.417 3.853 0.785 1.00 0.00 C ATOM 258 CG LYS A 17 5.186 4.656 1.175 1.00 0.00 C ATOM 259 CD LYS A 17 5.363 5.302 2.537 1.00 0.00 C ATOM 260 CE LYS A 17 4.188 6.189 2.910 1.00 0.00 C ATOM 261 NZ LYS A 17 4.121 7.413 2.073 1.00 0.00 N ATOM 0 H LYS A 17 5.235 1.527 0.713 1.00 0.00 H new ATOM 0 HA LYS A 17 5.901 3.615 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.717 3.229 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.241 4.539 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.998 5.425 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.312 4.004 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.484 4.525 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.278 5.894 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.261 5.626 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.268 6.473 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.693 8.186 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.081 7.686 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.542 7.226 1.230 1.00 0.00 H new ATOM 275 N LEU A 18 8.101 2.776 -1.865 1.00 0.00 N ATOM 276 CA LEU A 18 9.272 2.182 -2.475 1.00 0.00 C ATOM 277 C LEU A 18 10.500 2.912 -1.964 1.00 0.00 C ATOM 278 O LEU A 18 10.707 4.083 -2.273 1.00 0.00 O ATOM 279 CB LEU A 18 9.139 2.326 -3.998 1.00 0.00 C ATOM 280 CG LEU A 18 10.388 2.039 -4.829 1.00 0.00 C ATOM 281 CD1 LEU A 18 10.656 0.549 -4.920 1.00 0.00 C ATOM 282 CD2 LEU A 18 10.241 2.646 -6.217 1.00 0.00 C ATOM 0 H LEU A 18 7.806 3.646 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 18 9.364 1.125 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.346 1.658 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.812 3.343 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 18 11.243 2.498 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.551 0.376 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.804 0.144 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.805 0.054 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.136 2.436 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.373 2.213 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.108 3.724 -6.130 1.00 0.00 H new ATOM 294 N TRP A 19 11.283 2.226 -1.148 1.00 0.00 N ATOM 295 CA TRP A 19 12.399 2.844 -0.457 1.00 0.00 C ATOM 296 C TRP A 19 13.717 2.510 -1.143 1.00 0.00 C ATOM 297 O TRP A 19 13.728 1.987 -2.250 1.00 0.00 O ATOM 298 CB TRP A 19 12.454 2.346 0.980 1.00 0.00 C ATOM 299 CG TRP A 19 11.144 2.379 1.693 1.00 0.00 C ATOM 300 CD1 TRP A 19 10.373 1.312 2.026 1.00 0.00 C ATOM 301 CD2 TRP A 19 10.446 3.531 2.147 1.00 0.00 C ATOM 302 NE1 TRP A 19 9.283 1.728 2.739 1.00 0.00 N ATOM 303 CE2 TRP A 19 9.297 3.088 2.810 1.00 0.00 C ATOM 304 CE3 TRP A 19 10.691 4.891 2.072 1.00 0.00 C ATOM 305 CZ2 TRP A 19 8.399 3.960 3.409 1.00 0.00 C ATOM 306 CZ3 TRP A 19 9.790 5.762 2.647 1.00 0.00 C ATOM 307 CH2 TRP A 19 8.660 5.296 3.315 1.00 0.00 C ATOM 0 H TRP A 19 11.163 1.233 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 19 12.252 3.924 -0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 19 12.830 1.323 0.983 1.00 0.00 H new ATOM 0 HB3 TRP A 19 13.171 2.951 1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 19 10.589 0.286 1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 19 8.575 1.119 3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 19 11.573 5.264 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.526 3.595 3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.964 6.826 2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.980 6.003 3.766 1.00 0.00 H new ATOM 318 N LYS A 20 14.831 2.805 -0.486 1.00 0.00 N ATOM 319 CA LYS A 20 16.130 2.472 -1.047 1.00 0.00 C ATOM 320 C LYS A 20 16.504 1.014 -0.788 1.00 0.00 C ATOM 321 O LYS A 20 17.064 0.352 -1.660 1.00 0.00 O ATOM 322 CB LYS A 20 17.228 3.431 -0.557 1.00 0.00 C ATOM 323 CG LYS A 20 17.201 3.763 0.933 1.00 0.00 C ATOM 324 CD LYS A 20 17.939 2.733 1.768 1.00 0.00 C ATOM 325 CE LYS A 20 18.143 3.224 3.190 1.00 0.00 C ATOM 326 NZ LYS A 20 18.868 2.233 4.025 1.00 0.00 N ATOM 0 H LYS A 20 14.861 3.267 0.423 1.00 0.00 H new ATOM 0 HA LYS A 20 16.050 2.598 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 20 18.198 2.995 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.149 4.362 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.648 4.744 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.166 3.826 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.376 1.800 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.906 2.517 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.701 4.160 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.174 3.438 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.505 2.268 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.724 1.279 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.884 2.457 4.026 1.00 0.00 H new ATOM 340 N SER A 21 16.177 0.510 0.394 1.00 0.00 N ATOM 341 CA SER A 21 16.517 -0.865 0.749 1.00 0.00 C ATOM 342 C SER A 21 15.358 -1.814 0.469 1.00 0.00 C ATOM 343 O SER A 21 15.567 -2.968 0.093 1.00 0.00 O ATOM 344 CB SER A 21 16.916 -0.959 2.225 1.00 0.00 C ATOM 345 OG SER A 21 18.061 -0.172 2.498 1.00 0.00 O ATOM 0 H SER A 21 15.680 1.026 1.120 1.00 0.00 H new ATOM 0 HA SER A 21 17.363 -1.162 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.087 -0.628 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 21 17.116 -1.999 2.485 1.00 0.00 H new ATOM 0 HG SER A 21 18.568 -0.576 3.233 1.00 0.00 H new ATOM 351 N GLY A 22 14.135 -1.329 0.634 1.00 0.00 N ATOM 352 CA GLY A 22 12.992 -2.201 0.495 1.00 0.00 C ATOM 353 C GLY A 22 11.709 -1.473 0.172 1.00 0.00 C ATOM 354 O GLY A 22 11.723 -0.404 -0.434 1.00 0.00 O ATOM 0 H GLY A 22 13.918 -0.358 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.194 -2.928 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.859 -2.761 1.421 1.00 0.00 H new ATOM 358 N PHE A 23 10.603 -2.068 0.578 1.00 0.00 N ATOM 359 CA PHE A 23 9.280 -1.538 0.300 1.00 0.00 C ATOM 360 C PHE A 23 8.361 -1.798 1.495 1.00 0.00 C ATOM 361 O PHE A 23 8.488 -2.822 2.161 1.00 0.00 O ATOM 362 CB PHE A 23 8.727 -2.197 -0.974 1.00 0.00 C ATOM 363 CG PHE A 23 8.593 -3.696 -0.875 1.00 0.00 C ATOM 364 CD1 PHE A 23 9.646 -4.525 -1.227 1.00 0.00 C ATOM 365 CD2 PHE A 23 7.418 -4.272 -0.425 1.00 0.00 C ATOM 366 CE1 PHE A 23 9.529 -5.896 -1.128 1.00 0.00 C ATOM 367 CE2 PHE A 23 7.297 -5.642 -0.323 1.00 0.00 C ATOM 368 CZ PHE A 23 8.353 -6.456 -0.675 1.00 0.00 C ATOM 0 H PHE A 23 10.596 -2.937 1.112 1.00 0.00 H new ATOM 0 HA PHE A 23 9.335 -0.461 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.750 -1.768 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.382 -1.955 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.569 -4.093 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.586 -3.641 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.358 -6.530 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.375 -6.077 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.259 -7.529 -0.596 1.00 0.00 H new ATOM 378 N SER A 24 7.467 -0.864 1.789 1.00 0.00 N ATOM 379 CA SER A 24 6.529 -1.028 2.899 1.00 0.00 C ATOM 380 C SER A 24 5.103 -0.786 2.450 1.00 0.00 C ATOM 381 O SER A 24 4.816 0.191 1.764 1.00 0.00 O ATOM 382 CB SER A 24 6.860 -0.058 4.025 1.00 0.00 C ATOM 383 OG SER A 24 6.717 1.281 3.589 1.00 0.00 O ATOM 0 H SER A 24 7.369 0.013 1.278 1.00 0.00 H new ATOM 0 HA SER A 24 6.622 -2.054 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.203 -0.241 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.880 -0.227 4.369 1.00 0.00 H new ATOM 0 HG SER A 24 6.118 1.311 2.814 1.00 0.00 H new ATOM 389 N LEU A 25 4.218 -1.664 2.866 1.00 0.00 N ATOM 390 CA LEU A 25 2.812 -1.561 2.539 1.00 0.00 C ATOM 391 C LEU A 25 2.013 -1.574 3.827 1.00 0.00 C ATOM 392 O LEU A 25 2.497 -2.064 4.836 1.00 0.00 O ATOM 393 CB LEU A 25 2.365 -2.673 1.573 1.00 0.00 C ATOM 394 CG LEU A 25 3.091 -4.022 1.658 1.00 0.00 C ATOM 395 CD1 LEU A 25 2.348 -5.025 0.802 1.00 0.00 C ATOM 396 CD2 LEU A 25 4.535 -3.922 1.184 1.00 0.00 C ATOM 0 H LEU A 25 4.453 -2.472 3.442 1.00 0.00 H new ATOM 0 HA LEU A 25 2.632 -0.623 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.302 -2.853 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.472 -2.297 0.555 1.00 0.00 H new ATOM 0 HG LEU A 25 3.109 -4.338 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.852 -5.990 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.327 -5.130 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.329 -4.678 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.012 -4.899 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.555 -3.589 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.073 -3.206 1.805 1.00 0.00 H new ATOM 408 N ASP A 26 0.798 -1.032 3.788 1.00 0.00 N ATOM 409 CA ASP A 26 0.057 -0.673 5.010 1.00 0.00 C ATOM 410 C ASP A 26 -0.229 -1.866 5.945 1.00 0.00 C ATOM 411 O ASP A 26 -0.734 -1.684 7.051 1.00 0.00 O ATOM 412 CB ASP A 26 -1.252 0.031 4.649 1.00 0.00 C ATOM 413 CG ASP A 26 -1.913 0.671 5.860 1.00 0.00 C ATOM 414 OD1 ASP A 26 -1.182 1.180 6.742 1.00 0.00 O ATOM 415 OD2 ASP A 26 -3.158 0.652 5.945 1.00 0.00 O ATOM 0 H ASP A 26 0.298 -0.828 2.923 1.00 0.00 H new ATOM 0 HA ASP A 26 0.709 0.001 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.056 0.796 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.938 -0.688 4.201 1.00 0.00 H new ATOM 420 N ASN A 27 0.108 -3.075 5.522 1.00 0.00 N ATOM 421 CA ASN A 27 -0.088 -4.253 6.366 1.00 0.00 C ATOM 422 C ASN A 27 1.184 -4.557 7.167 1.00 0.00 C ATOM 423 O ASN A 27 1.176 -5.414 8.050 1.00 0.00 O ATOM 424 CB ASN A 27 -0.476 -5.478 5.522 1.00 0.00 C ATOM 425 CG ASN A 27 0.679 -5.962 4.664 1.00 0.00 C ATOM 426 OD1 ASN A 27 0.850 -5.359 3.503 1.00 0.00 O flip ATOM 427 ND2 ASN A 27 1.420 -6.861 5.047 1.00 0.00 N flip ATOM 0 H ASN A 27 0.516 -3.270 4.607 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.902 -4.036 7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.802 -6.284 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.322 -5.226 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.258 -7.305 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.198 -7.165 4.462 1.00 0.00 H new ATOM 434 N GLY A 28 2.271 -3.851 6.858 1.00 0.00 N ATOM 435 CA GLY A 28 3.537 -4.078 7.539 1.00 0.00 C ATOM 436 C GLY A 28 4.496 -2.912 7.371 1.00 0.00 C ATOM 437 O GLY A 28 4.078 -1.808 7.029 1.00 0.00 O ATOM 0 H GLY A 28 2.297 -3.122 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.352 -4.244 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.999 -4.985 7.150 1.00 0.00 H new ATOM 441 N GLU A 29 5.779 -3.147 7.611 1.00 0.00 N ATOM 442 CA GLU A 29 6.776 -2.092 7.482 1.00 0.00 C ATOM 443 C GLU A 29 7.765 -2.363 6.341 1.00 0.00 C ATOM 444 O GLU A 29 7.575 -3.290 5.552 1.00 0.00 O ATOM 445 CB GLU A 29 7.517 -1.891 8.805 1.00 0.00 C ATOM 446 CG GLU A 29 6.608 -1.429 9.930 1.00 0.00 C ATOM 447 CD GLU A 29 7.371 -0.845 11.104 1.00 0.00 C ATOM 448 OE1 GLU A 29 7.948 0.252 10.952 1.00 0.00 O ATOM 449 OE2 GLU A 29 7.376 -1.464 12.190 1.00 0.00 O ATOM 0 H GLU A 29 6.153 -4.053 7.894 1.00 0.00 H new ATOM 0 HA GLU A 29 6.245 -1.174 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.995 -2.827 9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.311 -1.158 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.914 -0.681 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.009 -2.272 10.276 1.00 0.00 H new ATOM 456 N LEU A 30 8.802 -1.523 6.256 1.00 0.00 N ATOM 457 CA LEU A 30 9.798 -1.574 5.188 1.00 0.00 C ATOM 458 C LEU A 30 10.478 -2.940 5.139 1.00 0.00 C ATOM 459 O LEU A 30 11.163 -3.351 6.077 1.00 0.00 O ATOM 460 CB LEU A 30 10.816 -0.428 5.403 1.00 0.00 C ATOM 461 CG LEU A 30 11.836 -0.149 4.283 1.00 0.00 C ATOM 462 CD1 LEU A 30 12.660 1.078 4.592 1.00 0.00 C ATOM 463 CD2 LEU A 30 12.768 -1.300 4.041 1.00 0.00 C ATOM 0 H LEU A 30 8.972 -0.782 6.936 1.00 0.00 H new ATOM 0 HA LEU A 30 9.312 -1.436 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.254 0.489 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.372 -0.642 6.316 1.00 0.00 H new ATOM 0 HG LEU A 30 11.245 0.010 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.372 1.251 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.003 1.943 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.201 0.927 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.463 -1.044 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.327 -1.514 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.193 -2.180 3.753 1.00 0.00 H new ATOM 475 N ARG A 31 10.271 -3.629 4.032 1.00 0.00 N ATOM 476 CA ARG A 31 10.876 -4.925 3.792 1.00 0.00 C ATOM 477 C ARG A 31 11.830 -4.853 2.603 1.00 0.00 C ATOM 478 O ARG A 31 11.413 -4.521 1.494 1.00 0.00 O ATOM 479 CB ARG A 31 9.785 -5.951 3.507 1.00 0.00 C ATOM 480 CG ARG A 31 8.902 -6.281 4.696 1.00 0.00 C ATOM 481 CD ARG A 31 7.864 -7.320 4.315 1.00 0.00 C ATOM 482 NE ARG A 31 7.064 -7.764 5.456 1.00 0.00 N ATOM 483 CZ ARG A 31 6.651 -9.019 5.623 1.00 0.00 C ATOM 484 NH1 ARG A 31 7.052 -9.970 4.790 1.00 0.00 N ATOM 485 NH2 ARG A 31 5.861 -9.327 6.640 1.00 0.00 N ATOM 0 H ARG A 31 9.675 -3.303 3.271 1.00 0.00 H new ATOM 0 HA ARG A 31 11.438 -5.221 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.157 -5.579 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.252 -6.870 3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.513 -6.653 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.407 -5.377 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.204 -6.906 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.364 -8.181 3.870 1.00 0.00 H new ATOM 0 HE ARG A 31 6.808 -7.074 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.679 -9.741 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.734 -10.930 4.921 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.568 -8.603 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.545 -10.288 6.767 1.00 0.00 H new ATOM 499 N SER A 32 13.102 -5.153 2.834 1.00 0.00 N ATOM 500 CA SER A 32 14.112 -5.108 1.780 1.00 0.00 C ATOM 501 C SER A 32 13.829 -6.150 0.697 1.00 0.00 C ATOM 502 O SER A 32 13.348 -7.247 0.982 1.00 0.00 O ATOM 503 CB SER A 32 15.492 -5.329 2.393 1.00 0.00 C ATOM 504 OG SER A 32 15.393 -5.511 3.796 1.00 0.00 O ATOM 0 H SER A 32 13.462 -5.432 3.747 1.00 0.00 H new ATOM 0 HA SER A 32 14.080 -4.127 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.961 -6.202 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.133 -4.474 2.176 1.00 0.00 H new ATOM 0 HG SER A 32 16.287 -5.653 4.171 1.00 0.00 H new ATOM 510 N TYR A 33 14.150 -5.797 -0.548 1.00 0.00 N ATOM 511 CA TYR A 33 13.802 -6.621 -1.707 1.00 0.00 C ATOM 512 C TYR A 33 14.569 -7.940 -1.697 1.00 0.00 C ATOM 513 O TYR A 33 14.205 -8.889 -2.389 1.00 0.00 O ATOM 514 CB TYR A 33 14.125 -5.888 -3.011 1.00 0.00 C ATOM 515 CG TYR A 33 13.765 -4.416 -3.032 1.00 0.00 C ATOM 516 CD1 TYR A 33 12.441 -3.980 -3.057 1.00 0.00 C ATOM 517 CD2 TYR A 33 14.767 -3.459 -3.038 1.00 0.00 C ATOM 518 CE1 TYR A 33 12.140 -2.632 -3.083 1.00 0.00 C ATOM 519 CE2 TYR A 33 14.473 -2.116 -3.063 1.00 0.00 C ATOM 520 CZ TYR A 33 13.162 -1.708 -3.089 1.00 0.00 C ATOM 521 OH TYR A 33 12.877 -0.372 -3.109 1.00 0.00 O ATOM 0 H TYR A 33 14.653 -4.941 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 33 12.732 -6.820 -1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 33 15.192 -5.987 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 33 13.601 -6.385 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.641 -4.705 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 33 15.800 -3.774 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.111 -2.305 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.269 -1.386 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 33 13.554 0.115 -2.594 1.00 0.00 H new ATOM 531 N GLN A 34 15.641 -7.974 -0.920 1.00 0.00 N ATOM 532 CA GLN A 34 16.535 -9.124 -0.864 1.00 0.00 C ATOM 533 C GLN A 34 15.893 -10.314 -0.153 1.00 0.00 C ATOM 534 O GLN A 34 16.153 -11.469 -0.495 1.00 0.00 O ATOM 535 CB GLN A 34 17.814 -8.726 -0.133 1.00 0.00 C ATOM 536 CG GLN A 34 18.522 -7.537 -0.761 1.00 0.00 C ATOM 537 CD GLN A 34 19.600 -6.958 0.131 1.00 0.00 C ATOM 538 OE1 GLN A 34 19.508 -7.017 1.358 1.00 0.00 O ATOM 539 NE2 GLN A 34 20.625 -6.389 -0.475 1.00 0.00 N ATOM 0 H GLN A 34 15.917 -7.205 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 34 16.756 -9.430 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.573 -8.490 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 34 18.494 -9.577 -0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.966 -7.843 -1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 34 17.790 -6.762 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 34 20.664 -6.361 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 34 21.379 -5.977 0.076 1.00 0.00 H new ATOM 548 N ASP A 35 15.052 -10.025 0.831 1.00 0.00 N ATOM 549 CA ASP A 35 14.485 -11.064 1.688 1.00 0.00 C ATOM 550 C ASP A 35 13.453 -11.902 0.938 1.00 0.00 C ATOM 551 O ASP A 35 12.532 -11.363 0.321 1.00 0.00 O ATOM 552 CB ASP A 35 13.843 -10.437 2.923 1.00 0.00 C ATOM 553 CG ASP A 35 13.519 -11.459 3.992 1.00 0.00 C ATOM 554 OD1 ASP A 35 12.540 -12.210 3.829 1.00 0.00 O ATOM 555 OD2 ASP A 35 14.251 -11.513 5.003 1.00 0.00 O ATOM 0 H ASP A 35 14.745 -9.079 1.058 1.00 0.00 H new ATOM 0 HA ASP A 35 15.298 -11.721 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.516 -9.685 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.929 -9.920 2.630 1.00 0.00 H new ATOM 560 N PRO A 36 13.594 -13.239 0.992 1.00 0.00 N ATOM 561 CA PRO A 36 12.713 -14.168 0.277 1.00 0.00 C ATOM 562 C PRO A 36 11.267 -14.154 0.780 1.00 0.00 C ATOM 563 O PRO A 36 10.377 -14.690 0.121 1.00 0.00 O ATOM 564 CB PRO A 36 13.346 -15.544 0.525 1.00 0.00 C ATOM 565 CG PRO A 36 14.724 -15.264 1.016 1.00 0.00 C ATOM 566 CD PRO A 36 14.638 -13.957 1.741 1.00 0.00 C ATOM 0 HA PRO A 36 12.639 -13.895 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.775 -16.112 1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.368 -16.137 -0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.072 -16.057 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.431 -15.207 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.365 -14.092 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.588 -13.422 1.726 1.00 0.00 H new ATOM 574 N SER A 37 11.018 -13.548 1.938 1.00 0.00 N ATOM 575 CA SER A 37 9.664 -13.468 2.462 1.00 0.00 C ATOM 576 C SER A 37 8.949 -12.321 1.774 1.00 0.00 C ATOM 577 O SER A 37 7.735 -12.331 1.578 1.00 0.00 O ATOM 578 CB SER A 37 9.689 -13.228 3.970 1.00 0.00 C ATOM 579 OG SER A 37 10.665 -14.043 4.602 1.00 0.00 O ATOM 0 H SER A 37 11.730 -13.111 2.523 1.00 0.00 H new ATOM 0 HA SER A 37 9.143 -14.407 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.902 -12.178 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.706 -13.440 4.391 1.00 0.00 H new ATOM 0 HG SER A 37 11.549 -13.633 4.501 1.00 0.00 H new ATOM 585 N ASN A 38 9.741 -11.338 1.390 1.00 0.00 N ATOM 586 CA ASN A 38 9.239 -10.142 0.745 1.00 0.00 C ATOM 587 C ASN A 38 9.134 -10.375 -0.750 1.00 0.00 C ATOM 588 O ASN A 38 8.427 -9.656 -1.459 1.00 0.00 O ATOM 589 CB ASN A 38 10.170 -8.970 1.037 1.00 0.00 C ATOM 590 CG ASN A 38 10.544 -8.893 2.505 1.00 0.00 C ATOM 591 OD1 ASN A 38 9.805 -9.355 3.376 1.00 0.00 O ATOM 592 ND2 ASN A 38 11.688 -8.302 2.793 1.00 0.00 N ATOM 0 H ASN A 38 10.753 -11.347 1.517 1.00 0.00 H new ATOM 0 HA ASN A 38 8.248 -9.907 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.075 -9.068 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.687 -8.040 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.987 -8.216 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.273 -7.932 2.044 1.00 0.00 H new ATOM 599 N ALA A 39 9.846 -11.394 -1.220 1.00 0.00 N ATOM 600 CA ALA A 39 9.768 -11.818 -2.610 1.00 0.00 C ATOM 601 C ALA A 39 8.343 -12.223 -2.975 1.00 0.00 C ATOM 602 O ALA A 39 7.953 -12.148 -4.136 1.00 0.00 O ATOM 603 CB ALA A 39 10.725 -12.969 -2.867 1.00 0.00 C ATOM 0 H ALA A 39 10.489 -11.945 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 39 10.056 -10.976 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.655 -13.274 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.744 -12.650 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.464 -13.810 -2.225 1.00 0.00 H new ATOM 609 N GLN A 40 7.576 -12.654 -1.973 1.00 0.00 N ATOM 610 CA GLN A 40 6.158 -12.960 -2.152 1.00 0.00 C ATOM 611 C GLN A 40 5.425 -11.740 -2.702 1.00 0.00 C ATOM 612 O GLN A 40 4.691 -11.829 -3.691 1.00 0.00 O ATOM 613 CB GLN A 40 5.549 -13.401 -0.810 1.00 0.00 C ATOM 614 CG GLN A 40 4.034 -13.583 -0.823 1.00 0.00 C ATOM 615 CD GLN A 40 3.292 -12.417 -0.181 1.00 0.00 C ATOM 616 OE1 GLN A 40 2.893 -11.440 -0.983 1.00 0.00 O flip ATOM 617 NE2 GLN A 40 3.060 -12.404 1.027 1.00 0.00 N flip ATOM 0 H GLN A 40 7.917 -12.800 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 40 6.052 -13.775 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.011 -14.341 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.805 -12.662 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.696 -13.700 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.779 -14.503 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.381 -13.172 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.546 -11.625 1.439 1.00 0.00 H new ATOM 626 N PHE A 41 5.641 -10.599 -2.053 1.00 0.00 N ATOM 627 CA PHE A 41 5.062 -9.340 -2.493 1.00 0.00 C ATOM 628 C PHE A 41 5.575 -8.995 -3.871 1.00 0.00 C ATOM 629 O PHE A 41 4.804 -8.900 -4.819 1.00 0.00 O ATOM 630 CB PHE A 41 5.423 -8.212 -1.530 1.00 0.00 C ATOM 631 CG PHE A 41 4.875 -8.397 -0.151 1.00 0.00 C ATOM 632 CD1 PHE A 41 3.553 -8.096 0.120 1.00 0.00 C ATOM 633 CD2 PHE A 41 5.676 -8.881 0.870 1.00 0.00 C ATOM 634 CE1 PHE A 41 3.039 -8.268 1.392 1.00 0.00 C ATOM 635 CE2 PHE A 41 5.167 -9.056 2.142 1.00 0.00 C ATOM 636 CZ PHE A 41 3.847 -8.753 2.402 1.00 0.00 C ATOM 0 H PHE A 41 6.218 -10.524 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 41 3.978 -9.453 -2.516 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.508 -8.130 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.054 -7.270 -1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.916 -7.723 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.709 -9.124 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.007 -8.023 1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.802 -9.430 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.445 -8.895 3.394 1.00 0.00 H new ATOM 646 N LEU A 42 6.890 -8.847 -3.968 1.00 0.00 N ATOM 647 CA LEU A 42 7.536 -8.453 -5.208 1.00 0.00 C ATOM 648 C LEU A 42 7.067 -9.308 -6.381 1.00 0.00 C ATOM 649 O LEU A 42 6.778 -8.783 -7.446 1.00 0.00 O ATOM 650 CB LEU A 42 9.056 -8.535 -5.064 1.00 0.00 C ATOM 651 CG LEU A 42 9.682 -7.469 -4.169 1.00 0.00 C ATOM 652 CD1 LEU A 42 11.175 -7.714 -4.017 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.426 -6.079 -4.737 1.00 0.00 C ATOM 0 H LEU A 42 7.534 -8.997 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 42 7.254 -7.421 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.315 -9.517 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.503 -8.463 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 42 9.219 -7.530 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.606 -6.945 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.339 -8.694 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.651 -7.679 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.879 -5.331 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.863 -6.007 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.352 -5.903 -4.799 1.00 0.00 H new ATOM 665 N GLU A 43 6.959 -10.616 -6.177 1.00 0.00 N ATOM 666 CA GLU A 43 6.539 -11.509 -7.246 1.00 0.00 C ATOM 667 C GLU A 43 5.108 -11.204 -7.670 1.00 0.00 C ATOM 668 O GLU A 43 4.863 -10.886 -8.832 1.00 0.00 O ATOM 669 CB GLU A 43 6.660 -12.973 -6.824 1.00 0.00 C ATOM 670 CG GLU A 43 6.438 -13.941 -7.973 1.00 0.00 C ATOM 671 CD GLU A 43 6.710 -15.376 -7.592 1.00 0.00 C ATOM 672 OE1 GLU A 43 7.871 -15.698 -7.263 1.00 0.00 O ATOM 673 OE2 GLU A 43 5.766 -16.195 -7.625 1.00 0.00 O ATOM 0 H GLU A 43 7.155 -11.077 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 43 7.202 -11.342 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.649 -13.143 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.935 -13.180 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.410 -13.852 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.084 -13.663 -8.806 1.00 0.00 H new ATOM 680 N SER A 44 4.170 -11.272 -6.725 1.00 0.00 N ATOM 681 CA SER A 44 2.767 -11.018 -7.023 1.00 0.00 C ATOM 682 C SER A 44 2.580 -9.635 -7.641 1.00 0.00 C ATOM 683 O SER A 44 1.844 -9.473 -8.615 1.00 0.00 O ATOM 684 CB SER A 44 1.938 -11.143 -5.748 1.00 0.00 C ATOM 685 OG SER A 44 2.012 -12.456 -5.220 1.00 0.00 O ATOM 0 H SER A 44 4.359 -11.501 -5.749 1.00 0.00 H new ATOM 0 HA SER A 44 2.428 -11.759 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.295 -10.428 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.899 -10.890 -5.959 1.00 0.00 H new ATOM 0 HG SER A 44 2.798 -12.531 -4.639 1.00 0.00 H new ATOM 691 N ILE A 45 3.285 -8.655 -7.096 1.00 0.00 N ATOM 692 CA ILE A 45 3.179 -7.278 -7.556 1.00 0.00 C ATOM 693 C ILE A 45 3.749 -7.129 -8.974 1.00 0.00 C ATOM 694 O ILE A 45 3.225 -6.365 -9.784 1.00 0.00 O ATOM 695 CB ILE A 45 3.890 -6.322 -6.567 1.00 0.00 C ATOM 696 CG1 ILE A 45 3.255 -6.443 -5.177 1.00 0.00 C ATOM 697 CG2 ILE A 45 3.816 -4.881 -7.041 1.00 0.00 C ATOM 698 CD1 ILE A 45 3.994 -5.682 -4.098 1.00 0.00 C ATOM 0 H ILE A 45 3.942 -8.790 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 45 2.124 -7.008 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 45 4.940 -6.610 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.228 -6.081 -5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.210 -7.496 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.324 -4.236 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.298 -4.793 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.772 -4.579 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.484 -5.816 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.014 -6.059 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.017 -4.622 -4.351 1.00 0.00 H new ATOM 710 N ARG A 46 4.801 -7.889 -9.284 1.00 0.00 N ATOM 711 CA ARG A 46 5.377 -7.881 -10.633 1.00 0.00 C ATOM 712 C ARG A 46 4.495 -8.656 -11.610 1.00 0.00 C ATOM 713 O ARG A 46 4.487 -8.375 -12.807 1.00 0.00 O ATOM 714 CB ARG A 46 6.795 -8.471 -10.638 1.00 0.00 C ATOM 715 CG ARG A 46 7.812 -7.631 -9.884 1.00 0.00 C ATOM 716 CD ARG A 46 9.164 -8.324 -9.800 1.00 0.00 C ATOM 717 NE ARG A 46 9.891 -8.295 -11.070 1.00 0.00 N ATOM 718 CZ ARG A 46 10.954 -9.057 -11.338 1.00 0.00 C ATOM 719 NH1 ARG A 46 11.368 -9.960 -10.456 1.00 0.00 N ATOM 720 NH2 ARG A 46 11.602 -8.917 -12.487 1.00 0.00 N ATOM 0 H ARG A 46 5.269 -8.513 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 46 5.431 -6.841 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.765 -9.468 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.127 -8.586 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.927 -6.667 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.443 -7.430 -8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.767 -7.844 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.019 -9.360 -9.492 1.00 0.00 H new ATOM 0 HE ARG A 46 9.566 -7.654 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.873 -10.073 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.180 -10.541 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.288 -8.226 -13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.414 -9.501 -12.689 1.00 0.00 H new ATOM 734 N ARG A 47 3.755 -9.636 -11.100 1.00 0.00 N ATOM 735 CA ARG A 47 2.841 -10.407 -11.936 1.00 0.00 C ATOM 736 C ARG A 47 1.606 -9.588 -12.282 1.00 0.00 C ATOM 737 O ARG A 47 0.933 -9.854 -13.277 1.00 0.00 O ATOM 738 CB ARG A 47 2.399 -11.698 -11.239 1.00 0.00 C ATOM 739 CG ARG A 47 3.535 -12.627 -10.853 1.00 0.00 C ATOM 740 CD ARG A 47 4.521 -12.817 -11.991 1.00 0.00 C ATOM 741 NE ARG A 47 3.868 -13.250 -13.226 1.00 0.00 N ATOM 742 CZ ARG A 47 4.457 -13.229 -14.418 1.00 0.00 C ATOM 743 NH1 ARG A 47 5.739 -12.896 -14.518 1.00 0.00 N ATOM 744 NH2 ARG A 47 3.771 -13.575 -15.498 1.00 0.00 N ATOM 0 H ARG A 47 3.770 -9.914 -10.119 1.00 0.00 H new ATOM 0 HA ARG A 47 3.381 -10.662 -12.848 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.839 -11.437 -10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.715 -12.235 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.056 -12.223 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.129 -13.595 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.049 -11.881 -12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.269 -13.554 -11.701 1.00 0.00 H new ATOM 0 HE ARG A 47 2.907 -13.587 -13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.271 -12.657 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.192 -12.880 -15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.794 -13.856 -15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.220 -13.560 -16.414 1.00 0.00 H new ATOM 758 N GLY A 48 1.322 -8.590 -11.460 1.00 0.00 N ATOM 759 CA GLY A 48 0.120 -7.800 -11.636 1.00 0.00 C ATOM 760 C GLY A 48 -1.006 -8.299 -10.755 1.00 0.00 C ATOM 761 O GLY A 48 -2.180 -8.001 -10.993 1.00 0.00 O ATOM 0 H GLY A 48 1.905 -8.311 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.332 -6.757 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.190 -7.836 -12.680 1.00 0.00 H new ATOM 765 N GLU A 49 -0.642 -9.065 -9.740 1.00 0.00 N ATOM 766 CA GLU A 49 -1.603 -9.629 -8.810 1.00 0.00 C ATOM 767 C GLU A 49 -1.531 -8.909 -7.477 1.00 0.00 C ATOM 768 O GLU A 49 -0.606 -8.137 -7.219 1.00 0.00 O ATOM 769 CB GLU A 49 -1.335 -11.117 -8.596 1.00 0.00 C ATOM 770 CG GLU A 49 -1.513 -11.960 -9.848 1.00 0.00 C ATOM 771 CD GLU A 49 -1.219 -13.426 -9.614 1.00 0.00 C ATOM 772 OE1 GLU A 49 -1.967 -14.075 -8.851 1.00 0.00 O ATOM 773 OE2 GLU A 49 -0.233 -13.936 -10.192 1.00 0.00 O ATOM 0 H GLU A 49 0.327 -9.312 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.599 -9.504 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.318 -11.244 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.005 -11.489 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.535 -11.852 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.855 -11.583 -10.631 1.00 0.00 H new ATOM 780 N VAL A 50 -2.511 -9.168 -6.636 1.00 0.00 N ATOM 781 CA VAL A 50 -2.568 -8.562 -5.326 1.00 0.00 C ATOM 782 C VAL A 50 -2.008 -9.507 -4.265 1.00 0.00 C ATOM 783 O VAL A 50 -2.430 -10.659 -4.160 1.00 0.00 O ATOM 784 CB VAL A 50 -4.016 -8.155 -4.975 1.00 0.00 C ATOM 785 CG1 VAL A 50 -4.955 -9.359 -4.976 1.00 0.00 C ATOM 786 CG2 VAL A 50 -4.063 -7.429 -3.637 1.00 0.00 C ATOM 0 H VAL A 50 -3.285 -9.800 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.952 -7.663 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.363 -7.470 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.964 -9.033 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.957 -9.818 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.615 -10.087 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.092 -7.152 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.682 -8.085 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.448 -6.531 -3.689 1.00 0.00 H new ATOM 796 N PRO A 51 -1.012 -9.038 -3.495 1.00 0.00 N ATOM 797 CA PRO A 51 -0.451 -9.802 -2.381 1.00 0.00 C ATOM 798 C PRO A 51 -1.527 -10.214 -1.382 1.00 0.00 C ATOM 799 O PRO A 51 -2.357 -9.397 -0.967 1.00 0.00 O ATOM 800 CB PRO A 51 0.533 -8.822 -1.733 1.00 0.00 C ATOM 801 CG PRO A 51 0.880 -7.860 -2.802 1.00 0.00 C ATOM 802 CD PRO A 51 -0.345 -7.733 -3.664 1.00 0.00 C ATOM 0 HA PRO A 51 0.015 -10.731 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.081 -8.317 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.419 -9.339 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.162 -6.895 -2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.731 -8.215 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.982 -6.910 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.087 -7.545 -4.706 1.00 0.00 H new ATOM 810 N ALA A 52 -1.492 -11.487 -0.997 1.00 0.00 N ATOM 811 CA ALA A 52 -2.491 -12.069 -0.116 1.00 0.00 C ATOM 812 C ALA A 52 -2.585 -11.314 1.198 1.00 0.00 C ATOM 813 O ALA A 52 -3.635 -11.279 1.810 1.00 0.00 O ATOM 814 CB ALA A 52 -2.180 -13.535 0.138 1.00 0.00 C ATOM 0 H ALA A 52 -0.767 -12.142 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.458 -11.991 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.936 -13.958 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.181 -14.076 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.199 -13.623 0.605 1.00 0.00 H new ATOM 820 N GLU A 53 -1.490 -10.695 1.615 1.00 0.00 N ATOM 821 CA GLU A 53 -1.469 -9.913 2.850 1.00 0.00 C ATOM 822 C GLU A 53 -2.514 -8.795 2.829 1.00 0.00 C ATOM 823 O GLU A 53 -3.017 -8.384 3.876 1.00 0.00 O ATOM 824 CB GLU A 53 -0.073 -9.326 3.067 1.00 0.00 C ATOM 825 CG GLU A 53 0.999 -10.385 3.280 1.00 0.00 C ATOM 826 CD GLU A 53 0.695 -11.316 4.438 1.00 0.00 C ATOM 827 OE1 GLU A 53 0.030 -12.349 4.216 1.00 0.00 O ATOM 828 OE2 GLU A 53 1.122 -11.021 5.574 1.00 0.00 O ATOM 0 H GLU A 53 -0.600 -10.717 1.117 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.717 -10.580 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.195 -8.716 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.096 -8.663 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.107 -10.972 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.956 -9.894 3.458 1.00 0.00 H new ATOM 835 N LEU A 54 -2.839 -8.310 1.635 1.00 0.00 N ATOM 836 CA LEU A 54 -3.795 -7.222 1.485 1.00 0.00 C ATOM 837 C LEU A 54 -5.191 -7.794 1.379 1.00 0.00 C ATOM 838 O LEU A 54 -6.141 -7.297 1.982 1.00 0.00 O ATOM 839 CB LEU A 54 -3.487 -6.404 0.234 1.00 0.00 C ATOM 840 CG LEU A 54 -2.012 -6.202 -0.062 1.00 0.00 C ATOM 841 CD1 LEU A 54 -1.855 -5.482 -1.385 1.00 0.00 C ATOM 842 CD2 LEU A 54 -1.351 -5.418 1.056 1.00 0.00 C ATOM 0 H LEU A 54 -2.453 -8.655 0.756 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.723 -6.570 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.949 -6.894 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.958 -5.426 0.334 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.523 -7.174 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.796 -5.337 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.306 -6.077 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.350 -4.512 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.294 -5.282 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.831 -4.444 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.453 -5.965 1.993 1.00 0.00 H new ATOM 854 N ARG A 55 -5.291 -8.846 0.583 1.00 0.00 N ATOM 855 CA ARG A 55 -6.549 -9.531 0.347 1.00 0.00 C ATOM 856 C ARG A 55 -7.025 -10.211 1.635 1.00 0.00 C ATOM 857 O ARG A 55 -8.221 -10.284 1.905 1.00 0.00 O ATOM 858 CB ARG A 55 -6.366 -10.539 -0.799 1.00 0.00 C ATOM 859 CG ARG A 55 -7.656 -10.963 -1.490 1.00 0.00 C ATOM 860 CD ARG A 55 -8.476 -11.894 -0.624 1.00 0.00 C ATOM 861 NE ARG A 55 -9.709 -12.307 -1.289 1.00 0.00 N ATOM 862 CZ ARG A 55 -10.775 -12.800 -0.664 1.00 0.00 C ATOM 863 NH1 ARG A 55 -10.777 -12.940 0.658 1.00 0.00 N ATOM 864 NH2 ARG A 55 -11.844 -13.149 -1.368 1.00 0.00 N ATOM 0 H ARG A 55 -4.499 -9.249 0.082 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.318 -8.816 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.698 -10.105 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.872 -11.428 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.246 -10.079 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.419 -11.457 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.884 -12.775 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.718 -11.397 0.316 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.756 -12.211 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.957 -12.669 1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.598 -13.319 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.845 -13.039 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.665 -13.528 -0.895 1.00 0.00 H new ATOM 878 N ARG A 56 -6.080 -10.694 2.431 1.00 0.00 N ATOM 879 CA ARG A 56 -6.385 -11.252 3.740 1.00 0.00 C ATOM 880 C ARG A 56 -6.414 -10.144 4.790 1.00 0.00 C ATOM 881 O ARG A 56 -6.005 -10.338 5.932 1.00 0.00 O ATOM 882 CB ARG A 56 -5.362 -12.326 4.133 1.00 0.00 C ATOM 883 CG ARG A 56 -5.213 -13.436 3.106 1.00 0.00 C ATOM 884 CD ARG A 56 -6.543 -14.089 2.784 1.00 0.00 C ATOM 885 NE ARG A 56 -6.433 -15.020 1.667 1.00 0.00 N ATOM 886 CZ ARG A 56 -7.472 -15.577 1.053 1.00 0.00 C ATOM 887 NH1 ARG A 56 -8.710 -15.297 1.448 1.00 0.00 N ATOM 888 NH2 ARG A 56 -7.270 -16.410 0.039 1.00 0.00 N ATOM 0 H ARG A 56 -5.089 -10.710 2.190 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.368 -11.721 3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.392 -11.852 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.657 -12.763 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.777 -13.030 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.520 -14.189 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.910 -14.618 3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.277 -13.320 2.545 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.498 -15.259 1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.864 -14.653 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.505 -15.726 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.320 -16.621 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.065 -16.839 -0.434 1.00 0.00 H new ATOM 902 N LEU A 57 -6.857 -8.972 4.369 1.00 0.00 N ATOM 903 CA LEU A 57 -7.071 -7.839 5.254 1.00 0.00 C ATOM 904 C LEU A 57 -8.363 -7.173 4.818 1.00 0.00 C ATOM 905 O LEU A 57 -9.331 -7.083 5.575 1.00 0.00 O ATOM 906 CB LEU A 57 -5.890 -6.866 5.166 1.00 0.00 C ATOM 907 CG LEU A 57 -5.837 -5.764 6.232 1.00 0.00 C ATOM 908 CD1 LEU A 57 -4.421 -5.223 6.347 1.00 0.00 C ATOM 909 CD2 LEU A 57 -6.798 -4.629 5.906 1.00 0.00 C ATOM 0 H LEU A 57 -7.081 -8.778 3.393 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.143 -8.160 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.967 -7.442 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.909 -6.392 4.185 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.140 -6.201 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.391 -4.441 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.745 -6.030 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.110 -4.810 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.735 -3.865 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.532 -4.192 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.816 -5.016 5.860 1.00 0.00 H new ATOM 921 N ALA A 58 -8.363 -6.724 3.571 1.00 0.00 N ATOM 922 CA ALA A 58 -9.593 -6.315 2.901 1.00 0.00 C ATOM 923 C ALA A 58 -10.532 -7.498 2.765 1.00 0.00 C ATOM 924 O ALA A 58 -10.130 -8.649 2.910 1.00 0.00 O ATOM 925 CB ALA A 58 -9.285 -5.751 1.526 1.00 0.00 C ATOM 0 H ALA A 58 -7.523 -6.633 3.000 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.072 -5.542 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.213 -5.451 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.631 -4.885 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.789 -6.512 0.923 1.00 0.00 H new ATOM 931 N HIS A 59 -11.782 -7.211 2.469 1.00 0.00 N ATOM 932 CA HIS A 59 -12.785 -8.257 2.286 1.00 0.00 C ATOM 933 C HIS A 59 -12.706 -8.874 0.891 1.00 0.00 C ATOM 934 O HIS A 59 -13.708 -9.348 0.359 1.00 0.00 O ATOM 935 CB HIS A 59 -14.188 -7.707 2.537 1.00 0.00 C ATOM 936 CG HIS A 59 -14.794 -8.206 3.810 1.00 0.00 C ATOM 937 ND1 HIS A 59 -15.795 -9.155 3.846 1.00 0.00 N ATOM 938 CD2 HIS A 59 -14.535 -7.885 5.098 1.00 0.00 C ATOM 939 CE1 HIS A 59 -16.123 -9.394 5.103 1.00 0.00 C ATOM 940 NE2 HIS A 59 -15.374 -8.637 5.880 1.00 0.00 N ATOM 0 H HIS A 59 -12.136 -6.262 2.348 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.575 -9.041 3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.146 -6.618 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.834 -7.980 1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.804 -7.170 5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.877 -10.091 5.437 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.412 -8.614 6.899 1.00 0.00 H new ATOM 949 N GLY A 60 -11.511 -8.848 0.306 1.00 0.00 N ATOM 950 CA GLY A 60 -11.286 -9.453 -0.994 1.00 0.00 C ATOM 951 C GLY A 60 -12.027 -8.765 -2.119 1.00 0.00 C ATOM 952 O GLY A 60 -12.264 -9.365 -3.168 1.00 0.00 O ATOM 0 H GLY A 60 -10.685 -8.412 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.218 -9.439 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.590 -10.499 -0.956 1.00 0.00 H new ATOM 956 N GLY A 61 -12.412 -7.517 -1.903 1.00 0.00 N ATOM 957 CA GLY A 61 -13.008 -6.751 -2.969 1.00 0.00 C ATOM 958 C GLY A 61 -11.993 -5.854 -3.628 1.00 0.00 C ATOM 959 O GLY A 61 -10.998 -6.335 -4.171 1.00 0.00 O ATOM 0 H GLY A 61 -12.322 -7.026 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.436 -7.426 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.827 -6.150 -2.574 1.00 0.00 H new ATOM 963 N GLN A 62 -12.239 -4.554 -3.595 1.00 0.00 N ATOM 964 CA GLN A 62 -11.265 -3.587 -4.053 1.00 0.00 C ATOM 965 C GLN A 62 -10.034 -3.592 -3.154 1.00 0.00 C ATOM 966 O GLN A 62 -9.924 -2.807 -2.206 1.00 0.00 O ATOM 967 CB GLN A 62 -11.889 -2.205 -4.076 1.00 0.00 C ATOM 968 CG GLN A 62 -10.983 -1.133 -4.662 1.00 0.00 C ATOM 969 CD GLN A 62 -11.649 0.222 -4.714 1.00 0.00 C ATOM 970 OE1 GLN A 62 -11.529 0.968 -3.633 1.00 0.00 O flip ATOM 971 NE2 GLN A 62 -12.276 0.586 -5.708 1.00 0.00 N flip ATOM 0 H GLN A 62 -13.110 -4.147 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.952 -3.858 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.812 -2.243 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.161 -1.922 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.073 -1.065 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.683 -1.426 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.342 -0.026 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.730 1.499 -5.718 1.00 0.00 H new ATOM 980 N VAL A 63 -9.134 -4.510 -3.435 1.00 0.00 N ATOM 981 CA VAL A 63 -7.844 -4.538 -2.790 1.00 0.00 C ATOM 982 C VAL A 63 -6.860 -3.744 -3.644 1.00 0.00 C ATOM 983 O VAL A 63 -6.375 -4.225 -4.668 1.00 0.00 O ATOM 984 CB VAL A 63 -7.356 -5.994 -2.611 1.00 0.00 C ATOM 985 CG1 VAL A 63 -8.115 -6.659 -1.484 1.00 0.00 C ATOM 986 CG2 VAL A 63 -7.537 -6.791 -3.896 1.00 0.00 C ATOM 0 H VAL A 63 -9.278 -5.255 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.918 -4.091 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.294 -5.970 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.765 -7.684 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.948 -6.109 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.180 -6.664 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.186 -7.812 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.592 -6.807 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.962 -6.326 -4.697 1.00 0.00 H new ATOM 996 N ASN A 64 -6.582 -2.518 -3.241 1.00 0.00 N ATOM 997 CA ASN A 64 -5.768 -1.636 -4.056 1.00 0.00 C ATOM 998 C ASN A 64 -4.510 -1.212 -3.329 1.00 0.00 C ATOM 999 O ASN A 64 -4.569 -0.598 -2.263 1.00 0.00 O ATOM 1000 CB ASN A 64 -6.572 -0.403 -4.449 1.00 0.00 C ATOM 1001 CG ASN A 64 -5.853 0.470 -5.466 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -6.016 1.690 -5.477 1.00 0.00 O ATOM 1003 ND2 ASN A 64 -5.059 -0.141 -6.333 1.00 0.00 N ATOM 0 H ASN A 64 -6.905 -2.113 -2.362 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.474 -2.185 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.532 -0.716 -4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.784 0.186 -3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.560 0.402 -7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.947 -1.154 -6.296 1.00 0.00 H new ATOM 1010 N LEU A 65 -3.377 -1.537 -3.920 1.00 0.00 N ATOM 1011 CA LEU A 65 -2.092 -1.155 -3.376 1.00 0.00 C ATOM 1012 C LEU A 65 -1.504 -0.012 -4.194 1.00 0.00 C ATOM 1013 O LEU A 65 -1.355 -0.113 -5.413 1.00 0.00 O ATOM 1014 CB LEU A 65 -1.167 -2.378 -3.333 1.00 0.00 C ATOM 1015 CG LEU A 65 0.292 -2.115 -2.968 1.00 0.00 C ATOM 1016 CD1 LEU A 65 0.847 -3.291 -2.185 1.00 0.00 C ATOM 1017 CD2 LEU A 65 1.125 -1.893 -4.222 1.00 0.00 C ATOM 0 H LEU A 65 -3.323 -2.071 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.208 -0.796 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.575 -3.090 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.193 -2.860 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 65 0.340 -1.216 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.888 -3.098 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.267 -3.427 -1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.785 -4.194 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.162 -1.707 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.073 -2.779 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.737 -1.034 -4.769 1.00 0.00 H new ATOM 1029 N ASP A 66 -1.193 1.077 -3.512 1.00 0.00 N ATOM 1030 CA ASP A 66 -0.751 2.298 -4.166 1.00 0.00 C ATOM 1031 C ASP A 66 0.738 2.494 -3.954 1.00 0.00 C ATOM 1032 O ASP A 66 1.183 2.706 -2.828 1.00 0.00 O ATOM 1033 CB ASP A 66 -1.515 3.492 -3.598 1.00 0.00 C ATOM 1034 CG ASP A 66 -1.781 4.561 -4.637 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -0.867 5.351 -4.935 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -2.918 4.615 -5.155 1.00 0.00 O ATOM 0 H ASP A 66 -1.239 1.141 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.948 2.219 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.463 3.148 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.946 3.924 -2.775 1.00 0.00 H new ATOM 1041 N MET A 67 1.505 2.414 -5.029 1.00 0.00 N ATOM 1042 CA MET A 67 2.951 2.528 -4.931 1.00 0.00 C ATOM 1043 C MET A 67 3.391 3.985 -4.925 1.00 0.00 C ATOM 1044 O MET A 67 3.171 4.720 -5.889 1.00 0.00 O ATOM 1045 CB MET A 67 3.643 1.778 -6.070 1.00 0.00 C ATOM 1046 CG MET A 67 3.423 0.274 -6.030 1.00 0.00 C ATOM 1047 SD MET A 67 4.375 -0.609 -7.280 1.00 0.00 S ATOM 1048 CE MET A 67 6.046 -0.220 -6.767 1.00 0.00 C ATOM 0 H MET A 67 1.153 2.271 -5.976 1.00 0.00 H new ATOM 0 HA MET A 67 3.247 2.074 -3.985 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.280 2.165 -7.022 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.713 1.982 -6.031 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.693 -0.101 -5.043 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.363 0.063 -6.172 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.667 -1.112 -6.843 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.452 0.561 -7.410 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.038 0.129 -5.734 1.00 0.00 H new ATOM 1058 N GLU A 68 4.004 4.387 -3.827 1.00 0.00 N ATOM 1059 CA GLU A 68 4.564 5.717 -3.688 1.00 0.00 C ATOM 1060 C GLU A 68 6.084 5.598 -3.634 1.00 0.00 C ATOM 1061 O GLU A 68 6.607 4.672 -3.021 1.00 0.00 O ATOM 1062 CB GLU A 68 4.042 6.375 -2.409 1.00 0.00 C ATOM 1063 CG GLU A 68 4.122 7.889 -2.422 1.00 0.00 C ATOM 1064 CD GLU A 68 3.743 8.506 -1.092 1.00 0.00 C ATOM 1065 OE1 GLU A 68 3.132 7.811 -0.260 1.00 0.00 O ATOM 1066 OE2 GLU A 68 4.096 9.681 -0.856 1.00 0.00 O ATOM 0 H GLU A 68 4.128 3.797 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 68 4.270 6.335 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.005 6.077 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.611 5.998 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.136 8.193 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.463 8.277 -3.199 1.00 0.00 H new ATOM 1073 N ASP A 69 6.792 6.529 -4.245 1.00 0.00 N ATOM 1074 CA ASP A 69 8.244 6.421 -4.359 1.00 0.00 C ATOM 1075 C ASP A 69 8.947 7.334 -3.363 1.00 0.00 C ATOM 1076 O ASP A 69 8.683 8.529 -3.301 1.00 0.00 O ATOM 1077 CB ASP A 69 8.674 6.739 -5.795 1.00 0.00 C ATOM 1078 CG ASP A 69 10.161 7.003 -5.939 1.00 0.00 C ATOM 1079 OD1 ASP A 69 10.970 6.294 -5.313 1.00 0.00 O ATOM 1080 OD2 ASP A 69 10.524 7.938 -6.684 1.00 0.00 O ATOM 0 H ASP A 69 6.393 7.366 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 69 8.537 5.398 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.397 5.906 -6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.123 7.612 -6.146 1.00 0.00 H new ATOM 1085 N HIS A 70 9.824 6.741 -2.564 1.00 0.00 N ATOM 1086 CA HIS A 70 10.579 7.464 -1.542 1.00 0.00 C ATOM 1087 C HIS A 70 11.917 6.795 -1.328 1.00 0.00 C ATOM 1088 O HIS A 70 12.383 6.668 -0.194 1.00 0.00 O ATOM 1089 CB HIS A 70 9.849 7.477 -0.202 1.00 0.00 C ATOM 1090 CG HIS A 70 8.625 8.319 -0.151 1.00 0.00 C ATOM 1091 ND1 HIS A 70 8.652 9.662 0.124 1.00 0.00 N ATOM 1092 CD2 HIS A 70 7.329 7.985 -0.286 1.00 0.00 C ATOM 1093 CE1 HIS A 70 7.421 10.121 0.170 1.00 0.00 C ATOM 1094 NE2 HIS A 70 6.590 9.127 -0.083 1.00 0.00 N ATOM 0 H HIS A 70 10.034 5.744 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 70 10.700 8.488 -1.896 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.576 6.453 0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.540 7.824 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.941 7.003 -0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.137 11.142 0.380 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.573 9.194 -0.121 1.00 0.00 H new ATOM 1103 N ARG A 71 12.527 6.365 -2.410 1.00 0.00 N ATOM 1104 CA ARG A 71 13.742 5.577 -2.327 1.00 0.00 C ATOM 1105 C ARG A 71 14.847 6.341 -1.614 1.00 0.00 C ATOM 1106 O ARG A 71 15.475 5.815 -0.700 1.00 0.00 O ATOM 1107 CB ARG A 71 14.183 5.113 -3.715 1.00 0.00 C ATOM 1108 CG ARG A 71 13.204 4.129 -4.344 1.00 0.00 C ATOM 1109 CD ARG A 71 13.589 3.747 -5.762 1.00 0.00 C ATOM 1110 NE ARG A 71 14.969 3.274 -5.855 1.00 0.00 N ATOM 1111 CZ ARG A 71 15.805 3.628 -6.827 1.00 0.00 C ATOM 1112 NH1 ARG A 71 15.384 4.409 -7.813 1.00 0.00 N ATOM 1113 NH2 ARG A 71 17.056 3.187 -6.829 1.00 0.00 N ATOM 0 H ARG A 71 12.203 6.547 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 71 13.530 4.688 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.290 5.980 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.165 4.646 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.154 3.230 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.206 4.568 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.916 2.969 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.458 4.609 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 71 15.310 2.637 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.419 4.738 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.026 4.680 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.381 2.573 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.692 3.462 -7.577 1.00 0.00 H new ATOM 1127 N ASP A 72 15.050 7.597 -1.974 1.00 0.00 N ATOM 1128 CA ASP A 72 16.105 8.381 -1.344 1.00 0.00 C ATOM 1129 C ASP A 72 15.590 9.102 -0.095 1.00 0.00 C ATOM 1130 O ASP A 72 16.300 9.911 0.501 1.00 0.00 O ATOM 1131 CB ASP A 72 16.715 9.378 -2.336 1.00 0.00 C ATOM 1132 CG ASP A 72 15.800 10.539 -2.666 1.00 0.00 C ATOM 1133 OD1 ASP A 72 14.912 10.377 -3.530 1.00 0.00 O ATOM 1134 OD2 ASP A 72 15.987 11.627 -2.084 1.00 0.00 O ATOM 0 H ASP A 72 14.511 8.091 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 72 16.889 7.691 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.646 9.766 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.969 8.853 -3.257 1.00 0.00 H new ATOM 1139 N GLU A 73 14.364 8.780 0.317 1.00 0.00 N ATOM 1140 CA GLU A 73 13.766 9.382 1.511 1.00 0.00 C ATOM 1141 C GLU A 73 14.083 8.575 2.764 1.00 0.00 C ATOM 1142 O GLU A 73 14.139 9.127 3.867 1.00 0.00 O ATOM 1143 CB GLU A 73 12.244 9.471 1.380 1.00 0.00 C ATOM 1144 CG GLU A 73 11.713 10.866 1.107 1.00 0.00 C ATOM 1145 CD GLU A 73 11.824 11.279 -0.340 1.00 0.00 C ATOM 1146 OE1 GLU A 73 10.869 11.026 -1.099 1.00 0.00 O ATOM 1147 OE2 GLU A 73 12.844 11.879 -0.718 1.00 0.00 O ATOM 0 H GLU A 73 13.764 8.105 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 73 14.194 10.380 1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.923 8.810 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.791 9.098 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.667 10.914 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.258 11.581 1.724 1.00 0.00 H new ATOM 1154 N ASP A 74 14.290 7.269 2.571 1.00 0.00 N ATOM 1155 CA ASP A 74 14.358 6.289 3.667 1.00 0.00 C ATOM 1156 C ASP A 74 12.957 6.118 4.262 1.00 0.00 C ATOM 1157 O ASP A 74 12.031 6.812 3.860 1.00 0.00 O ATOM 1158 CB ASP A 74 15.342 6.703 4.768 1.00 0.00 C ATOM 1159 CG ASP A 74 15.897 5.523 5.546 1.00 0.00 C ATOM 1160 OD1 ASP A 74 15.160 4.940 6.369 1.00 0.00 O ATOM 1161 OD2 ASP A 74 17.081 5.181 5.352 1.00 0.00 O ATOM 0 H ASP A 74 14.416 6.857 1.647 1.00 0.00 H new ATOM 0 HA ASP A 74 14.722 5.348 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.168 7.256 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.841 7.382 5.458 1.00 0.00 H new ATOM 1166 N PHE A 75 12.829 5.248 5.253 1.00 0.00 N ATOM 1167 CA PHE A 75 11.526 4.712 5.678 1.00 0.00 C ATOM 1168 C PHE A 75 10.673 5.728 6.449 1.00 0.00 C ATOM 1169 O PHE A 75 10.558 5.664 7.675 1.00 0.00 O ATOM 1170 CB PHE A 75 11.744 3.449 6.524 1.00 0.00 C ATOM 1171 CG PHE A 75 10.493 2.681 6.888 1.00 0.00 C ATOM 1172 CD1 PHE A 75 9.379 2.677 6.062 1.00 0.00 C ATOM 1173 CD2 PHE A 75 10.448 1.933 8.051 1.00 0.00 C ATOM 1174 CE1 PHE A 75 8.253 1.954 6.390 1.00 0.00 C ATOM 1175 CE2 PHE A 75 9.324 1.204 8.380 1.00 0.00 C ATOM 1176 CZ PHE A 75 8.226 1.214 7.548 1.00 0.00 C ATOM 0 H PHE A 75 13.618 4.889 5.790 1.00 0.00 H new ATOM 0 HA PHE A 75 10.968 4.471 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 75 12.413 2.781 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 75 12.254 3.734 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 75 9.394 3.250 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.304 1.920 8.710 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.392 1.969 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.305 0.625 9.291 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.347 0.642 7.805 1.00 0.00 H new ATOM 1186 N VAL A 76 10.068 6.652 5.720 1.00 0.00 N ATOM 1187 CA VAL A 76 9.059 7.539 6.280 1.00 0.00 C ATOM 1188 C VAL A 76 7.669 6.921 6.141 1.00 0.00 C ATOM 1189 O VAL A 76 6.928 7.188 5.189 1.00 0.00 O ATOM 1190 CB VAL A 76 9.068 8.928 5.616 1.00 0.00 C ATOM 1191 CG1 VAL A 76 10.246 9.752 6.107 1.00 0.00 C ATOM 1192 CG2 VAL A 76 9.099 8.803 4.102 1.00 0.00 C ATOM 0 H VAL A 76 10.260 6.808 4.731 1.00 0.00 H new ATOM 0 HA VAL A 76 9.304 7.669 7.334 1.00 0.00 H new ATOM 0 HB VAL A 76 8.149 9.442 5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.233 10.729 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.176 9.879 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.176 9.239 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.105 9.797 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.997 8.264 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.218 8.258 3.764 1.00 0.00 H new ATOM 1202 N LYS A 77 7.322 6.088 7.095 1.00 0.00 N ATOM 1203 CA LYS A 77 6.080 5.342 7.037 1.00 0.00 C ATOM 1204 C LYS A 77 4.905 6.178 7.541 1.00 0.00 C ATOM 1205 O LYS A 77 5.079 7.111 8.326 1.00 0.00 O ATOM 1206 CB LYS A 77 6.213 4.083 7.883 1.00 0.00 C ATOM 1207 CG LYS A 77 6.011 4.336 9.368 1.00 0.00 C ATOM 1208 CD LYS A 77 6.736 3.319 10.227 1.00 0.00 C ATOM 1209 CE LYS A 77 8.232 3.554 10.195 1.00 0.00 C ATOM 1210 NZ LYS A 77 8.947 2.675 11.160 1.00 0.00 N ATOM 0 H LYS A 77 7.884 5.907 7.927 1.00 0.00 H new ATOM 0 HA LYS A 77 5.884 5.078 5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.484 3.347 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.201 3.650 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.365 5.337 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.946 4.309 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.376 3.381 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.514 2.313 9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.608 3.371 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.442 4.598 10.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.912 2.495 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.991 3.142 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.438 1.772 11.250 1.00 0.00 H new ATOM 1224 N PRO A 78 3.689 5.846 7.094 1.00 0.00 N ATOM 1225 CA PRO A 78 2.457 6.456 7.608 1.00 0.00 C ATOM 1226 C PRO A 78 2.235 6.079 9.064 1.00 0.00 C ATOM 1227 O PRO A 78 1.831 6.897 9.884 1.00 0.00 O ATOM 1228 CB PRO A 78 1.360 5.818 6.749 1.00 0.00 C ATOM 1229 CG PRO A 78 2.062 5.285 5.550 1.00 0.00 C ATOM 1230 CD PRO A 78 3.408 4.858 6.045 1.00 0.00 C ATOM 0 HA PRO A 78 2.480 7.545 7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.848 5.023 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.603 6.551 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.518 4.447 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.150 6.045 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.392 3.842 6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.158 4.882 5.254 1.00 0.00 H new ATOM 1238 N LYS A 79 2.527 4.818 9.346 1.00 0.00 N ATOM 1239 CA LYS A 79 2.298 4.203 10.650 1.00 0.00 C ATOM 1240 C LYS A 79 2.901 5.004 11.808 1.00 0.00 C ATOM 1241 O LYS A 79 2.179 5.619 12.596 1.00 0.00 O ATOM 1242 CB LYS A 79 2.890 2.790 10.656 1.00 0.00 C ATOM 1243 CG LYS A 79 2.665 2.024 9.362 1.00 0.00 C ATOM 1244 CD LYS A 79 2.724 0.528 9.605 1.00 0.00 C ATOM 1245 CE LYS A 79 1.861 -0.233 8.613 1.00 0.00 C ATOM 1246 NZ LYS A 79 0.416 0.099 8.762 1.00 0.00 N ATOM 0 H LYS A 79 2.937 4.180 8.664 1.00 0.00 H new ATOM 0 HA LYS A 79 1.219 4.178 10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.961 2.856 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.454 2.227 11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.696 2.291 8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.421 2.308 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.756 0.186 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.391 0.310 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.184 -0.000 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.004 -1.304 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.160 -0.705 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.207 0.297 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.191 0.937 8.188 1.00 0.00 H new ATOM 1260 N GLY A 80 4.222 4.975 11.918 1.00 0.00 N ATOM 1261 CA GLY A 80 4.881 5.555 13.070 1.00 0.00 C ATOM 1262 C GLY A 80 5.467 6.926 12.809 1.00 0.00 C ATOM 1263 O GLY A 80 5.675 7.695 13.745 1.00 0.00 O ATOM 0 H GLY A 80 4.849 4.560 11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.166 5.625 13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.677 4.886 13.398 1.00 0.00 H new ATOM 1267 N ALA A 81 5.748 7.239 11.552 1.00 0.00 N ATOM 1268 CA ALA A 81 6.320 8.536 11.221 1.00 0.00 C ATOM 1269 C ALA A 81 5.214 9.557 11.003 1.00 0.00 C ATOM 1270 O ALA A 81 5.258 10.657 11.548 1.00 0.00 O ATOM 1271 CB ALA A 81 7.230 8.443 10.004 1.00 0.00 C ATOM 0 H ALA A 81 5.592 6.622 10.755 1.00 0.00 H new ATOM 0 HA ALA A 81 6.933 8.865 12.060 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.642 9.427 9.782 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.043 7.747 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.657 8.088 9.148 1.00 0.00 H new ATOM 1277 N PHE A 82 4.231 9.165 10.186 1.00 0.00 N ATOM 1278 CA PHE A 82 2.967 9.897 10.045 1.00 0.00 C ATOM 1279 C PHE A 82 3.178 11.275 9.410 1.00 0.00 C ATOM 1280 O PHE A 82 2.297 12.136 9.443 1.00 0.00 O ATOM 1281 CB PHE A 82 2.288 10.019 11.420 1.00 0.00 C ATOM 1282 CG PHE A 82 0.852 10.458 11.371 1.00 0.00 C ATOM 1283 CD1 PHE A 82 -0.111 9.660 10.773 1.00 0.00 C ATOM 1284 CD2 PHE A 82 0.465 11.669 11.921 1.00 0.00 C ATOM 1285 CE1 PHE A 82 -1.432 10.061 10.727 1.00 0.00 C ATOM 1286 CE2 PHE A 82 -0.853 12.075 11.877 1.00 0.00 C ATOM 1287 CZ PHE A 82 -1.803 11.271 11.280 1.00 0.00 C ATOM 0 H PHE A 82 4.289 8.330 9.603 1.00 0.00 H new ATOM 0 HA PHE A 82 2.316 9.337 9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.342 9.054 11.924 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.851 10.728 12.027 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.175 8.714 10.338 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.203 12.303 12.390 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.173 9.430 10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.141 13.022 12.310 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.835 11.588 11.245 1.00 0.00 H new ATOM 1297 N LYS A 83 4.340 11.466 8.801 1.00 0.00 N ATOM 1298 CA LYS A 83 4.689 12.751 8.220 1.00 0.00 C ATOM 1299 C LYS A 83 5.383 12.574 6.868 1.00 0.00 C ATOM 1300 O LYS A 83 6.589 12.773 6.732 1.00 0.00 O ATOM 1301 CB LYS A 83 5.573 13.541 9.197 1.00 0.00 C ATOM 1302 CG LYS A 83 6.819 12.790 9.631 1.00 0.00 C ATOM 1303 CD LYS A 83 7.456 13.403 10.869 1.00 0.00 C ATOM 1304 CE LYS A 83 8.542 12.501 11.429 1.00 0.00 C ATOM 1305 NZ LYS A 83 9.120 13.032 12.693 1.00 0.00 N ATOM 0 H LYS A 83 5.056 10.747 8.697 1.00 0.00 H new ATOM 0 HA LYS A 83 3.773 13.315 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.869 14.480 8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.987 13.796 10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.563 11.750 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.542 12.787 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.880 14.376 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.693 13.573 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.130 11.508 11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.334 12.387 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.856 12.383 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.538 13.968 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.370 13.116 13.409 1.00 0.00 H new ATOM 1319 N ALA A 84 4.615 12.186 5.863 1.00 0.00 N ATOM 1320 CA ALA A 84 5.134 12.112 4.506 1.00 0.00 C ATOM 1321 C ALA A 84 5.069 13.497 3.873 1.00 0.00 C ATOM 1322 O ALA A 84 4.254 13.756 2.988 1.00 0.00 O ATOM 1323 CB ALA A 84 4.354 11.090 3.688 1.00 0.00 C ATOM 0 H ALA A 84 3.635 11.919 5.959 1.00 0.00 H new ATOM 0 HA ALA A 84 6.173 11.783 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.757 11.050 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.442 10.108 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.304 11.380 3.649 1.00 0.00 H new ATOM 1329 N PHE A 85 5.934 14.387 4.345 1.00 0.00 N ATOM 1330 CA PHE A 85 5.841 15.802 4.010 1.00 0.00 C ATOM 1331 C PHE A 85 6.623 16.166 2.743 1.00 0.00 C ATOM 1332 O PHE A 85 7.072 17.303 2.595 1.00 0.00 O ATOM 1333 CB PHE A 85 6.322 16.657 5.197 1.00 0.00 C ATOM 1334 CG PHE A 85 7.768 16.452 5.579 1.00 0.00 C ATOM 1335 CD1 PHE A 85 8.145 15.389 6.384 1.00 0.00 C ATOM 1336 CD2 PHE A 85 8.748 17.328 5.134 1.00 0.00 C ATOM 1337 CE1 PHE A 85 9.468 15.205 6.739 1.00 0.00 C ATOM 1338 CE2 PHE A 85 10.071 17.149 5.485 1.00 0.00 C ATOM 1339 CZ PHE A 85 10.432 16.084 6.287 1.00 0.00 C ATOM 0 H PHE A 85 6.710 14.152 4.963 1.00 0.00 H new ATOM 0 HA PHE A 85 4.792 16.013 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.170 17.709 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.697 16.436 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.396 14.696 6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.472 18.161 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.748 14.374 7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.822 17.840 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.467 15.939 6.560 1.00 0.00 H new ATOM 1349 N THR A 86 6.772 15.228 1.819 1.00 0.00 N ATOM 1350 CA THR A 86 7.541 15.492 0.616 1.00 0.00 C ATOM 1351 C THR A 86 7.124 14.565 -0.521 1.00 0.00 C ATOM 1352 O THR A 86 6.653 13.448 -0.284 1.00 0.00 O ATOM 1353 CB THR A 86 9.057 15.352 0.894 1.00 0.00 C ATOM 1354 OG1 THR A 86 9.816 15.687 -0.272 1.00 0.00 O ATOM 1355 CG2 THR A 86 9.408 13.940 1.343 1.00 0.00 C ATOM 0 H THR A 86 6.376 14.290 1.879 1.00 0.00 H new ATOM 0 HA THR A 86 7.335 16.518 0.310 1.00 0.00 H new ATOM 0 HB THR A 86 9.308 16.044 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.772 15.595 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.480 13.874 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.864 13.703 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.132 13.231 0.563 1.00 0.00 H new ATOM 1363 N GLY A 87 7.282 15.046 -1.750 1.00 0.00 N ATOM 1364 CA GLY A 87 6.983 14.239 -2.913 1.00 0.00 C ATOM 1365 C GLY A 87 5.699 14.654 -3.600 1.00 0.00 C ATOM 1366 O GLY A 87 4.623 14.159 -3.268 1.00 0.00 O ATOM 0 H GLY A 87 7.614 15.987 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.808 14.311 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.909 13.193 -2.615 1.00 0.00 H new ATOM 1370 N GLU A 88 5.816 15.543 -4.573 1.00 0.00 N ATOM 1371 CA GLU A 88 4.655 16.069 -5.277 1.00 0.00 C ATOM 1372 C GLU A 88 4.056 15.023 -6.220 1.00 0.00 C ATOM 1373 O GLU A 88 2.904 14.609 -6.052 1.00 0.00 O ATOM 1374 CB GLU A 88 5.043 17.327 -6.053 1.00 0.00 C ATOM 1375 CG GLU A 88 3.900 17.937 -6.842 1.00 0.00 C ATOM 1376 CD GLU A 88 4.292 19.225 -7.534 1.00 0.00 C ATOM 1377 OE1 GLU A 88 5.501 19.545 -7.581 1.00 0.00 O ATOM 1378 OE2 GLU A 88 3.388 19.934 -8.022 1.00 0.00 O ATOM 0 H GLU A 88 6.708 15.918 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 88 3.895 16.324 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.427 18.070 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.856 17.084 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.554 17.220 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.063 18.130 -6.171 1.00 0.00 H new ATOM 1385 N GLY A 89 4.850 14.571 -7.185 1.00 0.00 N ATOM 1386 CA GLY A 89 4.357 13.643 -8.193 1.00 0.00 C ATOM 1387 C GLY A 89 4.264 12.211 -7.690 1.00 0.00 C ATOM 1388 O GLY A 89 4.634 11.267 -8.392 1.00 0.00 O ATOM 0 H GLY A 89 5.831 14.831 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.372 13.969 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.016 13.675 -9.061 1.00 0.00 H new ATOM 1392 N GLN A 90 3.770 12.048 -6.474 1.00 0.00 N ATOM 1393 CA GLN A 90 3.620 10.729 -5.877 1.00 0.00 C ATOM 1394 C GLN A 90 2.173 10.500 -5.469 1.00 0.00 C ATOM 1395 O GLN A 90 1.759 9.370 -5.219 1.00 0.00 O ATOM 1396 CB GLN A 90 4.507 10.591 -4.641 1.00 0.00 C ATOM 1397 CG GLN A 90 5.900 11.170 -4.806 1.00 0.00 C ATOM 1398 CD GLN A 90 6.674 11.163 -3.507 1.00 0.00 C ATOM 1399 OE1 GLN A 90 6.087 11.181 -2.425 1.00 0.00 O ATOM 1400 NE2 GLN A 90 7.990 11.185 -3.599 1.00 0.00 N ATOM 0 H GLN A 90 3.464 12.817 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 90 3.918 9.989 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.018 11.084 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.593 9.535 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.445 10.596 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.826 12.192 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.438 11.169 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.560 11.218 -2.754 1.00 0.00 H new ATOM 1409 N LYS A 91 1.409 11.582 -5.395 1.00 0.00 N ATOM 1410 CA LYS A 91 0.029 11.511 -4.943 1.00 0.00 C ATOM 1411 C LYS A 91 -0.877 11.001 -6.058 1.00 0.00 C ATOM 1412 O LYS A 91 -1.224 9.821 -6.082 1.00 0.00 O ATOM 1413 CB LYS A 91 -0.452 12.882 -4.448 1.00 0.00 C ATOM 1414 CG LYS A 91 -0.110 13.198 -2.992 1.00 0.00 C ATOM 1415 CD LYS A 91 1.389 13.340 -2.746 1.00 0.00 C ATOM 1416 CE LYS A 91 1.995 12.077 -2.142 1.00 0.00 C ATOM 1417 NZ LYS A 91 3.403 12.286 -1.702 1.00 0.00 N ATOM 0 H LYS A 91 1.724 12.520 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.019 10.809 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.018 13.654 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.533 12.938 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.609 14.122 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.504 12.408 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.890 13.567 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.568 14.182 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.393 11.758 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.961 11.272 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.835 11.368 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.942 12.741 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.417 12.895 -0.859 1.00 0.00 H new ATOM 1431 N LEU A 92 -1.233 11.888 -6.986 1.00 0.00 N ATOM 1432 CA LEU A 92 -2.117 11.553 -8.106 1.00 0.00 C ATOM 1433 C LEU A 92 -3.468 11.017 -7.623 1.00 0.00 C ATOM 1434 O LEU A 92 -4.398 11.788 -7.375 1.00 0.00 O ATOM 1435 CB LEU A 92 -1.457 10.549 -9.069 1.00 0.00 C ATOM 1436 CG LEU A 92 -0.366 11.116 -9.990 1.00 0.00 C ATOM 1437 CD1 LEU A 92 -0.870 12.356 -10.712 1.00 0.00 C ATOM 1438 CD2 LEU A 92 0.906 11.423 -9.214 1.00 0.00 C ATOM 0 H LEU A 92 -0.918 12.858 -6.985 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.296 12.480 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.023 9.742 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.236 10.107 -9.691 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.125 10.357 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.084 12.744 -11.360 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.742 12.098 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.146 13.116 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.659 11.823 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.691 12.158 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.281 10.509 -8.754 1.00 0.00 H new ATOM 1450 N GLY A 93 -3.564 9.700 -7.470 1.00 0.00 N ATOM 1451 CA GLY A 93 -4.806 9.087 -7.040 1.00 0.00 C ATOM 1452 C GLY A 93 -4.729 8.571 -5.619 1.00 0.00 C ATOM 1453 O GLY A 93 -5.733 8.152 -5.046 1.00 0.00 O ATOM 0 H GLY A 93 -2.800 9.045 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.614 9.815 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.054 8.264 -7.710 1.00 0.00 H new ATOM 1457 N SER A 94 -3.532 8.616 -5.047 1.00 0.00 N ATOM 1458 CA SER A 94 -3.303 8.123 -3.695 1.00 0.00 C ATOM 1459 C SER A 94 -4.061 8.970 -2.673 1.00 0.00 C ATOM 1460 O SER A 94 -4.434 8.493 -1.598 1.00 0.00 O ATOM 1461 CB SER A 94 -1.800 8.124 -3.382 1.00 0.00 C ATOM 1462 OG SER A 94 -1.515 7.436 -2.175 1.00 0.00 O ATOM 0 H SER A 94 -2.700 8.992 -5.502 1.00 0.00 H new ATOM 0 HA SER A 94 -3.676 7.101 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.257 7.657 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.444 9.152 -3.308 1.00 0.00 H new ATOM 0 HG SER A 94 -0.550 7.455 -2.008 1.00 0.00 H new ATOM 1468 N THR A 95 -4.304 10.222 -3.028 1.00 0.00 N ATOM 1469 CA THR A 95 -5.002 11.149 -2.152 1.00 0.00 C ATOM 1470 C THR A 95 -6.438 11.394 -2.616 1.00 0.00 C ATOM 1471 O THR A 95 -7.063 12.386 -2.231 1.00 0.00 O ATOM 1472 CB THR A 95 -4.251 12.490 -2.075 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.743 12.839 -3.371 1.00 0.00 O ATOM 1474 CG2 THR A 95 -3.108 12.412 -1.077 1.00 0.00 C ATOM 0 H THR A 95 -4.025 10.622 -3.924 1.00 0.00 H new ATOM 0 HA THR A 95 -5.035 10.693 -1.162 1.00 0.00 H new ATOM 0 HB THR A 95 -4.949 13.257 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.267 13.694 -3.317 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.592 13.371 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.503 12.174 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.408 11.635 -1.385 1.00 0.00 H new ATOM 1482 N ALA A 96 -6.959 10.485 -3.433 1.00 0.00 N ATOM 1483 CA ALA A 96 -8.322 10.599 -3.938 1.00 0.00 C ATOM 1484 C ALA A 96 -9.251 9.648 -3.189 1.00 0.00 C ATOM 1485 O ALA A 96 -9.220 8.437 -3.405 1.00 0.00 O ATOM 1486 CB ALA A 96 -8.359 10.314 -5.434 1.00 0.00 C ATOM 0 H ALA A 96 -6.457 9.660 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.668 11.619 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.383 10.403 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.726 11.031 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.995 9.304 -5.621 1.00 0.00 H new ATOM 1492 N PRO A 97 -10.092 10.190 -2.293 1.00 0.00 N ATOM 1493 CA PRO A 97 -10.994 9.391 -1.456 1.00 0.00 C ATOM 1494 C PRO A 97 -12.179 8.822 -2.235 1.00 0.00 C ATOM 1495 O PRO A 97 -12.836 7.884 -1.780 1.00 0.00 O ATOM 1496 CB PRO A 97 -11.488 10.386 -0.392 1.00 0.00 C ATOM 1497 CG PRO A 97 -10.660 11.618 -0.569 1.00 0.00 C ATOM 1498 CD PRO A 97 -10.220 11.621 -2.002 1.00 0.00 C ATOM 0 HA PRO A 97 -10.482 8.521 -1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.548 10.605 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.370 9.976 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -11.238 12.513 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.801 11.610 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.951 12.104 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.276 12.149 -2.136 1.00 0.00 H new ATOM 1506 N GLN A 98 -12.452 9.393 -3.401 1.00 0.00 N ATOM 1507 CA GLN A 98 -13.570 8.954 -4.226 1.00 0.00 C ATOM 1508 C GLN A 98 -13.203 8.936 -5.702 1.00 0.00 C ATOM 1509 O GLN A 98 -12.814 9.955 -6.272 1.00 0.00 O ATOM 1510 CB GLN A 98 -14.790 9.854 -4.014 1.00 0.00 C ATOM 1511 CG GLN A 98 -15.642 9.459 -2.820 1.00 0.00 C ATOM 1512 CD GLN A 98 -16.232 8.066 -2.962 1.00 0.00 C ATOM 1513 OE1 GLN A 98 -16.483 7.594 -4.073 1.00 0.00 O ATOM 1514 NE2 GLN A 98 -16.465 7.404 -1.840 1.00 0.00 N ATOM 0 H GLN A 98 -11.913 10.163 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 98 -13.815 7.938 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.453 10.882 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.407 9.832 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.036 9.503 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.449 10.181 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -16.243 7.831 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.867 6.467 -1.875 1.00 0.00 H new ATOM 1523 N VAL A 99 -13.320 7.764 -6.308 1.00 0.00 N ATOM 1524 CA VAL A 99 -13.144 7.618 -7.746 1.00 0.00 C ATOM 1525 C VAL A 99 -14.451 7.963 -8.464 1.00 0.00 C ATOM 1526 O VAL A 99 -14.464 8.291 -9.651 1.00 0.00 O ATOM 1527 CB VAL A 99 -12.693 6.180 -8.115 1.00 0.00 C ATOM 1528 CG1 VAL A 99 -13.763 5.155 -7.753 1.00 0.00 C ATOM 1529 CG2 VAL A 99 -12.334 6.079 -9.589 1.00 0.00 C ATOM 0 H VAL A 99 -13.538 6.894 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.362 8.306 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.800 5.957 -7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.417 4.157 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.956 5.194 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.681 5.381 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.022 5.060 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -13.203 6.337 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.519 6.767 -9.813 1.00 0.00 H new ATOM 1539 N LEU A 100 -15.551 7.903 -7.719 1.00 0.00 N ATOM 1540 CA LEU A 100 -16.864 8.231 -8.255 1.00 0.00 C ATOM 1541 C LEU A 100 -16.958 9.737 -8.473 1.00 0.00 C ATOM 1542 O LEU A 100 -17.319 10.200 -9.556 1.00 0.00 O ATOM 1543 CB LEU A 100 -17.957 7.750 -7.286 1.00 0.00 C ATOM 1544 CG LEU A 100 -19.337 7.468 -7.900 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -20.249 6.821 -6.869 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -19.978 8.741 -8.428 1.00 0.00 C ATOM 0 H LEU A 100 -15.556 7.628 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 100 -17.009 7.728 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -17.606 6.839 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -18.077 8.502 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 100 -19.196 6.785 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.224 6.626 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -19.810 5.882 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.368 7.491 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -20.953 8.507 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -20.101 9.452 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -19.340 9.178 -9.196 1.00 0.00 H new ATOM 1558 N SER A 101 -16.616 10.492 -7.442 1.00 0.00 N ATOM 1559 CA SER A 101 -16.610 11.941 -7.524 1.00 0.00 C ATOM 1560 C SER A 101 -15.186 12.463 -7.372 1.00 0.00 C ATOM 1561 O SER A 101 -14.621 12.426 -6.282 1.00 0.00 O ATOM 1562 CB SER A 101 -17.510 12.535 -6.440 1.00 0.00 C ATOM 1563 OG SER A 101 -18.824 12.006 -6.525 1.00 0.00 O ATOM 0 H SER A 101 -16.337 10.121 -6.534 1.00 0.00 H new ATOM 0 HA SER A 101 -16.995 12.242 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 101 -17.091 12.321 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.543 13.620 -6.544 1.00 0.00 H new ATOM 0 HG SER A 101 -19.381 12.399 -5.821 1.00 0.00 H new ATOM 1569 N THR A 102 -14.603 12.915 -8.473 1.00 0.00 N ATOM 1570 CA THR A 102 -13.249 13.440 -8.458 1.00 0.00 C ATOM 1571 C THR A 102 -13.262 14.957 -8.271 1.00 0.00 C ATOM 1572 O THR A 102 -13.160 15.411 -7.113 1.00 0.00 O ATOM 1573 CB THR A 102 -12.509 13.083 -9.761 1.00 0.00 C ATOM 1574 OG1 THR A 102 -12.634 11.677 -10.016 1.00 0.00 O ATOM 1575 CG2 THR A 102 -11.034 13.451 -9.674 1.00 0.00 C ATOM 1576 OXT THR A 102 -13.379 15.690 -9.277 1.00 0.00 O ATOM 0 H THR A 102 -15.050 12.928 -9.390 1.00 0.00 H new ATOM 0 HA THR A 102 -12.723 12.984 -7.619 1.00 0.00 H new ATOM 0 HB THR A 102 -12.959 13.652 -10.575 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.164 11.452 -10.846 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.538 13.187 -10.608 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.936 14.523 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.571 12.907 -8.851 1.00 0.00 H new TER 1584 THR A 102