USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 92:sc= 1.06 USER MOD Set 1.2: A 115 HIS : no HE2:sc= 0.669 K(o=1.7,f=-3.8) USER MOD Set 2.1: A 62 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0486) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -2.69! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.575 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -10:sc= 0.587 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= 0.712 (180deg=0.435) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 71 SER OG : rot -156:sc= 1.21 USER MOD Single : A 74 SER OG : rot 132:sc= 0.152 USER MOD Single : A 80 THR OG1 : rot -125:sc= -3.75! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -130:sc= -0.248 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.277 0.768 14.841 1.00 0.00 N ATOM 21 CA LYS A 2 -0.640 0.502 13.556 1.00 0.00 C ATOM 22 C LYS A 2 -1.651 -0.049 12.554 1.00 0.00 C ATOM 23 O LYS A 2 -2.327 -1.041 12.821 1.00 0.00 O ATOM 24 CB LYS A 2 0.518 -0.485 13.730 1.00 0.00 C ATOM 25 CG LYS A 2 1.385 -0.210 14.948 1.00 0.00 C ATOM 26 CD LYS A 2 2.525 0.739 14.617 1.00 0.00 C ATOM 27 CE LYS A 2 3.543 0.804 15.744 1.00 0.00 C ATOM 28 NZ LYS A 2 4.941 0.752 15.234 1.00 0.00 N ATOM 0 HA LYS A 2 -0.248 1.443 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.114 -1.495 13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.143 -0.457 12.838 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.773 0.218 15.742 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.790 -1.148 15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.016 0.413 13.700 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.126 1.736 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.398 1.723 16.312 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.376 -0.025 16.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.604 0.799 16.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.088 -0.137 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.109 1.557 14.598 1.00 0.00 H new ATOM 42 N ARG A 3 -1.751 0.605 11.400 1.00 0.00 N ATOM 43 CA ARG A 3 -2.682 0.183 10.358 1.00 0.00 C ATOM 44 C ARG A 3 -2.106 0.451 8.972 1.00 0.00 C ATOM 45 O ARG A 3 -1.578 1.531 8.710 1.00 0.00 O ATOM 46 CB ARG A 3 -4.020 0.911 10.510 1.00 0.00 C ATOM 47 CG ARG A 3 -4.457 1.096 11.954 1.00 0.00 C ATOM 48 CD ARG A 3 -3.847 2.349 12.563 1.00 0.00 C ATOM 49 NE ARG A 3 -4.674 3.530 12.327 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.834 3.758 12.941 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.305 2.888 13.826 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.523 4.858 12.669 1.00 0.00 N ATOM 0 H ARG A 3 -1.199 1.429 11.163 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.843 -0.889 10.467 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.947 1.889 10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.789 0.353 9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.544 1.159 12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.162 0.225 12.539 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.718 2.205 13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.855 2.511 12.142 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.344 4.220 11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.778 2.041 14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.194 3.067 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.165 5.529 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.411 5.033 13.139 1.00 0.00 H new ATOM 66 N VAL A 4 -2.214 -0.534 8.084 1.00 0.00 N ATOM 67 CA VAL A 4 -1.704 -0.388 6.726 1.00 0.00 C ATOM 68 C VAL A 4 -2.804 -0.649 5.700 1.00 0.00 C ATOM 69 O VAL A 4 -3.755 -1.381 5.970 1.00 0.00 O ATOM 70 CB VAL A 4 -0.521 -1.342 6.460 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.213 -0.940 5.190 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.434 -1.357 7.646 1.00 0.00 C ATOM 0 H VAL A 4 -2.648 -1.436 8.280 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.353 0.639 6.626 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.917 -2.349 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.044 -1.624 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.473 -0.983 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.595 0.075 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.261 -2.036 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.822 -0.352 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.097 -1.694 8.536 1.00 0.00 H new ATOM 82 N LEU A 5 -2.676 -0.037 4.529 1.00 0.00 N ATOM 83 CA LEU A 5 -3.666 -0.197 3.470 1.00 0.00 C ATOM 84 C LEU A 5 -3.148 -1.111 2.366 1.00 0.00 C ATOM 85 O LEU A 5 -2.061 -0.899 1.835 1.00 0.00 O ATOM 86 CB LEU A 5 -4.032 1.164 2.876 1.00 0.00 C ATOM 87 CG LEU A 5 -5.128 1.129 1.809 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.419 0.586 2.396 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.347 2.516 1.224 1.00 0.00 C ATOM 0 H LEU A 5 -1.896 0.575 4.288 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.553 -0.652 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.353 1.822 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.136 1.607 2.441 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.809 0.466 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.189 0.567 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.253 -0.425 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.743 1.226 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.130 2.472 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.647 3.202 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.422 2.869 0.769 1.00 0.00 H new ATOM 101 N VAL A 6 -3.933 -2.124 2.021 1.00 0.00 N ATOM 102 CA VAL A 6 -3.538 -3.061 0.970 1.00 0.00 C ATOM 103 C VAL A 6 -4.448 -2.953 -0.250 1.00 0.00 C ATOM 104 O VAL A 6 -5.482 -3.615 -0.327 1.00 0.00 O ATOM 105 CB VAL A 6 -3.552 -4.518 1.466 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.949 -5.444 0.419 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.812 -4.642 2.789 1.00 0.00 C ATOM 0 H VAL A 6 -4.839 -2.319 2.447 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.521 -2.788 0.690 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.588 -4.816 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.967 -6.470 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.529 -5.378 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.919 -5.148 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.834 -5.680 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.778 -4.324 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.294 -4.011 3.536 1.00 0.00 H new ATOM 117 N VAL A 7 -4.050 -2.124 -1.209 1.00 0.00 N ATOM 118 CA VAL A 7 -4.828 -1.943 -2.430 1.00 0.00 C ATOM 119 C VAL A 7 -4.590 -3.098 -3.396 1.00 0.00 C ATOM 120 O VAL A 7 -3.478 -3.287 -3.889 1.00 0.00 O ATOM 121 CB VAL A 7 -4.476 -0.611 -3.125 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.359 -0.382 -4.343 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.595 0.547 -2.148 1.00 0.00 C ATOM 0 H VAL A 7 -3.196 -1.568 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.880 -1.922 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.442 -0.668 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.091 0.563 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.216 -1.196 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.404 -0.349 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.343 1.478 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.617 0.603 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.910 0.391 -1.314 1.00 0.00 H new ATOM 133 N ASP A 8 -5.640 -3.872 -3.659 1.00 0.00 N ATOM 134 CA ASP A 8 -5.537 -5.011 -4.560 1.00 0.00 C ATOM 135 C ASP A 8 -6.905 -5.379 -5.127 1.00 0.00 C ATOM 136 O ASP A 8 -7.934 -5.086 -4.522 1.00 0.00 O ATOM 137 CB ASP A 8 -4.934 -6.211 -3.826 1.00 0.00 C ATOM 138 CG ASP A 8 -4.732 -7.406 -4.736 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.073 -7.250 -5.786 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.234 -8.500 -4.400 1.00 0.00 O ATOM 0 H ASP A 8 -6.568 -3.730 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.884 -4.734 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.977 -5.923 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.587 -6.493 -3.000 1.00 0.00 H new ATOM 145 N ASP A 9 -6.908 -6.022 -6.289 1.00 0.00 N ATOM 146 CA ASP A 9 -8.150 -6.428 -6.937 1.00 0.00 C ATOM 147 C ASP A 9 -8.590 -7.809 -6.458 1.00 0.00 C ATOM 148 O ASP A 9 -8.903 -8.687 -7.262 1.00 0.00 O ATOM 149 CB ASP A 9 -7.978 -6.429 -8.458 1.00 0.00 C ATOM 150 CG ASP A 9 -9.263 -6.771 -9.186 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.331 -6.271 -8.772 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.203 -7.536 -10.170 1.00 0.00 O ATOM 0 H ASP A 9 -6.063 -6.274 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.924 -5.710 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.630 -5.448 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.206 -7.148 -8.733 1.00 0.00 H new ATOM 157 N GLU A 10 -8.610 -7.994 -5.143 1.00 0.00 N ATOM 158 CA GLU A 10 -9.011 -9.268 -4.556 1.00 0.00 C ATOM 159 C GLU A 10 -10.116 -9.073 -3.522 1.00 0.00 C ATOM 160 O GLU A 10 -10.395 -7.950 -3.099 1.00 0.00 O ATOM 161 CB GLU A 10 -7.808 -9.955 -3.908 1.00 0.00 C ATOM 162 CG GLU A 10 -6.995 -10.799 -4.876 1.00 0.00 C ATOM 163 CD GLU A 10 -6.090 -11.788 -4.169 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.543 -12.409 -3.184 1.00 0.00 O ATOM 165 OE2 GLU A 10 -4.928 -11.942 -4.598 1.00 0.00 O ATOM 0 H GLU A 10 -8.353 -7.278 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.397 -9.900 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.160 -9.197 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.157 -10.588 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.672 -11.340 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.391 -10.144 -5.504 1.00 0.00 H new ATOM 217 N THR A 14 -5.879 -9.469 0.785 1.00 0.00 N ATOM 218 CA THR A 14 -5.124 -10.133 -0.265 1.00 0.00 C ATOM 219 C THR A 14 -4.779 -11.553 0.180 1.00 0.00 C ATOM 220 O THR A 14 -4.963 -11.899 1.347 1.00 0.00 O ATOM 221 CB THR A 14 -3.861 -9.337 -0.597 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.109 -9.078 0.573 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.152 -8.002 -1.254 1.00 0.00 C ATOM 0 HA THR A 14 -5.729 -10.187 -1.170 1.00 0.00 H new ATOM 0 HB THR A 14 -3.304 -9.960 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.234 -8.713 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.214 -7.487 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.692 -8.165 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.759 -7.392 -0.585 1.00 0.00 H new ATOM 231 N SER A 15 -4.304 -12.381 -0.742 1.00 0.00 N ATOM 232 CA SER A 15 -3.969 -13.765 -0.416 1.00 0.00 C ATOM 233 C SER A 15 -2.702 -13.864 0.431 1.00 0.00 C ATOM 234 O SER A 15 -1.652 -13.338 0.061 1.00 0.00 O ATOM 235 CB SER A 15 -3.798 -14.581 -1.699 1.00 0.00 C ATOM 236 OG SER A 15 -4.319 -15.889 -1.546 1.00 0.00 O ATOM 0 H SER A 15 -4.142 -12.123 -1.715 1.00 0.00 H new ATOM 0 HA SER A 15 -4.793 -14.169 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.305 -14.079 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.741 -14.636 -1.960 1.00 0.00 H new ATOM 0 HG SER A 15 -4.199 -16.389 -2.380 1.00 0.00 H new ATOM 242 N SER A 16 -2.812 -14.564 1.563 1.00 0.00 N ATOM 243 CA SER A 16 -1.682 -14.773 2.478 1.00 0.00 C ATOM 244 C SER A 16 -1.433 -13.568 3.386 1.00 0.00 C ATOM 245 O SER A 16 -1.101 -13.732 4.561 1.00 0.00 O ATOM 246 CB SER A 16 -0.410 -15.101 1.696 1.00 0.00 C ATOM 247 OG SER A 16 0.567 -15.689 2.538 1.00 0.00 O ATOM 0 H SER A 16 -3.681 -15.000 1.872 1.00 0.00 H new ATOM 0 HA SER A 16 -1.948 -15.616 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.647 -15.781 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.009 -14.191 1.248 1.00 0.00 H new ATOM 0 HG SER A 16 1.371 -15.891 2.015 1.00 0.00 H new ATOM 253 N LEU A 17 -1.575 -12.363 2.842 1.00 0.00 N ATOM 254 CA LEU A 17 -1.345 -11.141 3.608 1.00 0.00 C ATOM 255 C LEU A 17 -2.010 -11.179 4.978 1.00 0.00 C ATOM 256 O LEU A 17 -1.338 -11.074 6.002 1.00 0.00 O ATOM 257 CB LEU A 17 -1.849 -9.929 2.834 1.00 0.00 C ATOM 258 CG LEU A 17 -1.160 -8.598 3.167 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.190 -7.495 3.282 1.00 0.00 C ATOM 260 CD2 LEU A 17 -0.353 -8.694 4.457 1.00 0.00 C ATOM 0 H LEU A 17 -1.849 -12.206 1.872 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.269 -11.064 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.728 -10.124 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.918 -9.821 3.019 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.470 -8.367 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.692 -6.555 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.723 -7.395 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.898 -7.739 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.121 -7.734 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.016 -8.955 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.413 -9.462 4.350 1.00 0.00 H new ATOM 272 N SER A 18 -3.333 -11.302 4.993 1.00 0.00 N ATOM 273 CA SER A 18 -4.086 -11.322 6.244 1.00 0.00 C ATOM 274 C SER A 18 -3.364 -12.124 7.325 1.00 0.00 C ATOM 275 O SER A 18 -2.998 -11.584 8.365 1.00 0.00 O ATOM 276 CB SER A 18 -5.487 -11.891 6.017 1.00 0.00 C ATOM 277 OG SER A 18 -6.454 -11.182 6.772 1.00 0.00 O ATOM 0 H SER A 18 -3.907 -11.389 4.154 1.00 0.00 H new ATOM 0 HA SER A 18 -4.170 -10.292 6.591 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.737 -11.837 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.505 -12.945 6.296 1.00 0.00 H new ATOM 0 HG SER A 18 -7.341 -11.564 6.608 1.00 0.00 H new ATOM 283 N ALA A 19 -3.148 -13.409 7.072 1.00 0.00 N ATOM 284 CA ALA A 19 -2.455 -14.267 8.031 1.00 0.00 C ATOM 285 C ALA A 19 -1.174 -13.604 8.527 1.00 0.00 C ATOM 286 O ALA A 19 -0.789 -13.746 9.687 1.00 0.00 O ATOM 287 CB ALA A 19 -2.135 -15.607 7.394 1.00 0.00 C ATOM 0 H ALA A 19 -3.440 -13.880 6.216 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.112 -14.425 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.619 -16.239 8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.060 -16.092 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.496 -15.453 6.524 1.00 0.00 H new ATOM 293 N ILE A 20 -0.520 -12.886 7.623 1.00 0.00 N ATOM 294 CA ILE A 20 0.727 -12.192 7.930 1.00 0.00 C ATOM 295 C ILE A 20 0.490 -10.922 8.741 1.00 0.00 C ATOM 296 O ILE A 20 0.821 -10.859 9.923 1.00 0.00 O ATOM 297 CB ILE A 20 1.476 -11.821 6.635 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.879 -13.077 5.875 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.693 -10.961 6.939 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.797 -12.913 4.375 1.00 0.00 C ATOM 0 H ILE A 20 -0.836 -12.768 6.660 1.00 0.00 H new ATOM 0 HA ILE A 20 1.328 -12.879 8.526 1.00 0.00 H new ATOM 0 HB ILE A 20 0.803 -11.239 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.898 -13.350 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.235 -13.902 6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.204 -10.713 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.376 -10.044 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.372 -11.510 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.097 -13.842 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.773 -12.669 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.462 -12.109 4.060 1.00 0.00 H new ATOM 312 N LEU A 21 -0.075 -9.910 8.093 1.00 0.00 N ATOM 313 CA LEU A 21 -0.349 -8.638 8.743 1.00 0.00 C ATOM 314 C LEU A 21 -1.099 -8.861 10.057 1.00 0.00 C ATOM 315 O LEU A 21 -0.941 -8.096 11.010 1.00 0.00 O ATOM 316 CB LEU A 21 -1.098 -7.723 7.760 1.00 0.00 C ATOM 317 CG LEU A 21 -2.549 -7.446 8.070 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.327 -8.740 8.022 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.668 -6.762 9.418 1.00 0.00 C ATOM 0 H LEU A 21 -0.353 -9.948 7.112 1.00 0.00 H new ATOM 0 HA LEU A 21 0.581 -8.137 9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.571 -6.770 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.040 -8.169 6.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.970 -6.772 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.375 -8.543 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.244 -9.178 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.923 -9.435 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.718 -6.565 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.253 -7.408 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.119 -5.820 9.398 1.00 0.00 H new ATOM 331 N GLU A 22 -1.893 -9.924 10.116 1.00 0.00 N ATOM 332 CA GLU A 22 -2.637 -10.249 11.319 1.00 0.00 C ATOM 333 C GLU A 22 -1.711 -10.820 12.388 1.00 0.00 C ATOM 334 O GLU A 22 -1.987 -10.713 13.582 1.00 0.00 O ATOM 335 CB GLU A 22 -3.748 -11.244 11.001 1.00 0.00 C ATOM 336 CG GLU A 22 -4.893 -11.199 11.992 1.00 0.00 C ATOM 337 CD GLU A 22 -5.356 -12.579 12.415 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.549 -13.315 13.023 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.522 -12.925 12.137 1.00 0.00 O ATOM 0 H GLU A 22 -2.036 -10.573 9.342 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.084 -9.332 11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.133 -11.041 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.331 -12.251 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.583 -10.638 12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.730 -10.659 11.549 1.00 0.00 H new ATOM 346 N GLU A 23 -0.603 -11.418 11.951 1.00 0.00 N ATOM 347 CA GLU A 23 0.365 -11.991 12.872 1.00 0.00 C ATOM 348 C GLU A 23 1.270 -10.898 13.431 1.00 0.00 C ATOM 349 O GLU A 23 1.647 -10.928 14.602 1.00 0.00 O ATOM 350 CB GLU A 23 1.194 -13.064 12.158 1.00 0.00 C ATOM 351 CG GLU A 23 2.446 -13.476 12.913 1.00 0.00 C ATOM 352 CD GLU A 23 2.613 -14.982 12.996 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.718 -15.648 13.555 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.639 -15.493 12.500 1.00 0.00 O ATOM 0 H GLU A 23 -0.358 -11.516 10.966 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.166 -12.456 13.703 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.571 -13.944 11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.480 -12.693 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.319 -13.045 12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.410 -13.063 13.921 1.00 0.00 H new ATOM 361 N GLU A 24 1.609 -9.929 12.584 1.00 0.00 N ATOM 362 CA GLU A 24 2.466 -8.823 12.994 1.00 0.00 C ATOM 363 C GLU A 24 1.764 -7.943 14.023 1.00 0.00 C ATOM 364 O GLU A 24 2.410 -7.318 14.864 1.00 0.00 O ATOM 365 CB GLU A 24 2.872 -7.983 11.786 1.00 0.00 C ATOM 366 CG GLU A 24 4.007 -8.589 10.976 1.00 0.00 C ATOM 367 CD GLU A 24 5.326 -8.578 11.725 1.00 0.00 C ATOM 368 OE1 GLU A 24 6.035 -7.551 11.663 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.649 -9.596 12.372 1.00 0.00 O ATOM 0 H GLU A 24 1.303 -9.888 11.612 1.00 0.00 H new ATOM 0 HA GLU A 24 3.362 -9.245 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.005 -7.851 11.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.170 -6.991 12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.752 -9.615 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.118 -8.037 10.043 1.00 0.00 H new ATOM 376 N GLY A 25 0.437 -7.898 13.951 1.00 0.00 N ATOM 377 CA GLY A 25 -0.330 -7.092 14.879 1.00 0.00 C ATOM 378 C GLY A 25 -0.685 -5.734 14.307 1.00 0.00 C ATOM 379 O GLY A 25 -0.589 -4.717 14.995 1.00 0.00 O ATOM 0 H GLY A 25 -0.120 -8.407 13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.245 -7.621 15.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.241 -6.958 15.798 1.00 0.00 H new ATOM 383 N TYR A 26 -1.095 -5.717 13.043 1.00 0.00 N ATOM 384 CA TYR A 26 -1.466 -4.474 12.374 1.00 0.00 C ATOM 385 C TYR A 26 -2.954 -4.452 12.039 1.00 0.00 C ATOM 386 O TYR A 26 -3.690 -5.388 12.353 1.00 0.00 O ATOM 387 CB TYR A 26 -0.657 -4.299 11.086 1.00 0.00 C ATOM 388 CG TYR A 26 0.798 -3.963 11.309 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.187 -2.672 11.636 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.783 -4.935 11.187 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.517 -2.357 11.834 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.115 -4.629 11.384 1.00 0.00 C ATOM 393 CZ TYR A 26 3.477 -3.338 11.708 1.00 0.00 C ATOM 394 OH TYR A 26 4.803 -3.028 11.905 1.00 0.00 O ATOM 0 H TYR A 26 -1.179 -6.550 12.461 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.247 -3.654 13.058 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.721 -5.218 10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.113 -3.510 10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.438 -1.901 11.737 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.502 -5.947 10.934 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.804 -1.347 12.086 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.869 -5.396 11.285 1.00 0.00 H new ATOM 0 HH TYR A 26 5.349 -3.832 11.779 1.00 0.00 H new ATOM 404 N HIS A 27 -3.378 -3.380 11.383 1.00 0.00 N ATOM 405 CA HIS A 27 -4.768 -3.220 10.975 1.00 0.00 C ATOM 406 C HIS A 27 -4.839 -2.966 9.471 1.00 0.00 C ATOM 407 O HIS A 27 -4.479 -1.886 9.002 1.00 0.00 O ATOM 408 CB HIS A 27 -5.419 -2.062 11.734 1.00 0.00 C ATOM 409 CG HIS A 27 -6.878 -2.267 12.001 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.365 -2.735 13.203 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.960 -2.066 11.212 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.683 -2.814 13.142 1.00 0.00 C ATOM 413 NE2 HIS A 27 -9.068 -2.412 11.945 1.00 0.00 N ATOM 0 H HIS A 27 -2.773 -2.602 11.120 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.310 -4.136 11.210 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.900 -1.923 12.683 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.288 -1.144 11.161 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.953 -1.701 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.334 -3.150 13.936 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.033 -2.366 11.618 1.00 0.00 H new ATOM 422 N PRO A 28 -5.283 -3.963 8.688 1.00 0.00 N ATOM 423 CA PRO A 28 -5.371 -3.849 7.242 1.00 0.00 C ATOM 424 C PRO A 28 -6.739 -3.379 6.758 1.00 0.00 C ATOM 425 O PRO A 28 -7.769 -3.942 7.130 1.00 0.00 O ATOM 426 CB PRO A 28 -5.099 -5.275 6.790 1.00 0.00 C ATOM 427 CG PRO A 28 -5.622 -6.145 7.892 1.00 0.00 C ATOM 428 CD PRO A 28 -5.715 -5.293 9.140 1.00 0.00 C ATOM 0 HA PRO A 28 -4.681 -3.106 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.600 -5.491 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.034 -5.441 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.600 -6.549 7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.960 -6.995 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.731 -5.271 9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.073 -5.674 9.934 1.00 0.00 H new ATOM 436 N ASP A 29 -6.738 -2.344 5.925 1.00 0.00 N ATOM 437 CA ASP A 29 -7.988 -1.805 5.393 1.00 0.00 C ATOM 438 C ASP A 29 -8.172 -2.151 3.926 1.00 0.00 C ATOM 439 O ASP A 29 -9.102 -1.675 3.278 1.00 0.00 O ATOM 440 CB ASP A 29 -8.071 -0.297 5.604 1.00 0.00 C ATOM 441 CG ASP A 29 -9.503 0.191 5.707 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.104 0.046 6.793 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.025 0.717 4.702 1.00 0.00 O ATOM 0 H ASP A 29 -5.896 -1.865 5.605 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.801 -2.274 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.532 -0.029 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.575 0.211 4.777 1.00 0.00 H new ATOM 448 N THR A 30 -7.263 -2.977 3.427 1.00 0.00 N ATOM 449 CA THR A 30 -7.242 -3.442 2.033 1.00 0.00 C ATOM 450 C THR A 30 -8.415 -2.939 1.197 1.00 0.00 C ATOM 451 O THR A 30 -9.580 -3.135 1.542 1.00 0.00 O ATOM 452 CB THR A 30 -7.204 -4.968 1.991 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.513 -5.508 2.061 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.399 -5.573 3.118 1.00 0.00 C ATOM 0 H THR A 30 -6.499 -3.355 3.987 1.00 0.00 H new ATOM 0 HA THR A 30 -6.340 -3.022 1.589 1.00 0.00 H new ATOM 0 HB THR A 30 -6.726 -5.219 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.149 -4.796 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.411 -6.659 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.371 -5.216 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.834 -5.280 4.074 1.00 0.00 H new ATOM 462 N ALA A 31 -8.083 -2.310 0.080 1.00 0.00 N ATOM 463 CA ALA A 31 -9.083 -1.785 -0.838 1.00 0.00 C ATOM 464 C ALA A 31 -9.205 -2.676 -2.070 1.00 0.00 C ATOM 465 O ALA A 31 -8.773 -3.829 -2.054 1.00 0.00 O ATOM 466 CB ALA A 31 -8.731 -0.359 -1.240 1.00 0.00 C ATOM 0 H ALA A 31 -7.120 -2.150 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.048 -1.775 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.487 0.022 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.697 0.272 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.757 -0.349 -1.730 1.00 0.00 H new ATOM 472 N LYS A 32 -9.793 -2.144 -3.137 1.00 0.00 N ATOM 473 CA LYS A 32 -9.963 -2.906 -4.369 1.00 0.00 C ATOM 474 C LYS A 32 -9.047 -2.379 -5.469 1.00 0.00 C ATOM 475 O LYS A 32 -8.455 -3.152 -6.221 1.00 0.00 O ATOM 476 CB LYS A 32 -11.420 -2.854 -4.835 1.00 0.00 C ATOM 477 CG LYS A 32 -12.426 -2.986 -3.705 1.00 0.00 C ATOM 478 CD LYS A 32 -13.857 -2.930 -4.219 1.00 0.00 C ATOM 479 CE LYS A 32 -14.533 -4.290 -4.146 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.222 -4.638 -5.420 1.00 0.00 N ATOM 0 H LYS A 32 -10.158 -1.192 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.693 -3.941 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.593 -1.912 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.590 -3.653 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.264 -3.928 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.267 -2.187 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.426 -2.208 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.860 -2.577 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.789 -5.053 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.256 -4.293 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.670 -5.572 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.949 -3.924 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.529 -4.661 -6.195 1.00 0.00 H new ATOM 494 N THR A 33 -8.934 -1.059 -5.553 1.00 0.00 N ATOM 495 CA THR A 33 -8.089 -0.427 -6.559 1.00 0.00 C ATOM 496 C THR A 33 -7.665 0.965 -6.109 1.00 0.00 C ATOM 497 O THR A 33 -7.968 1.386 -4.993 1.00 0.00 O ATOM 498 CB THR A 33 -8.827 -0.344 -7.897 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.228 -0.294 -7.695 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.535 -1.512 -8.815 1.00 0.00 C ATOM 0 H THR A 33 -9.417 -0.405 -4.937 1.00 0.00 H new ATOM 0 HA THR A 33 -7.195 -1.037 -6.686 1.00 0.00 H new ATOM 0 HB THR A 33 -8.465 0.568 -8.371 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.682 -0.239 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.090 -1.391 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.467 -1.547 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.838 -2.440 -8.330 1.00 0.00 H new ATOM 508 N LEU A 34 -6.965 1.678 -6.984 1.00 0.00 N ATOM 509 CA LEU A 34 -6.504 3.023 -6.670 1.00 0.00 C ATOM 510 C LEU A 34 -7.685 3.951 -6.411 1.00 0.00 C ATOM 511 O LEU A 34 -7.693 4.702 -5.435 1.00 0.00 O ATOM 512 CB LEU A 34 -5.639 3.568 -7.807 1.00 0.00 C ATOM 513 CG LEU A 34 -4.238 2.959 -7.894 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.496 3.487 -9.112 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.457 3.248 -6.620 1.00 0.00 C ATOM 0 H LEU A 34 -6.705 1.347 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.900 2.975 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.154 3.396 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.544 4.647 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.337 1.879 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.502 3.041 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.049 3.228 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.404 4.571 -9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.462 2.809 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.369 4.326 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.980 2.816 -5.767 1.00 0.00 H new ATOM 527 N ARG A 35 -8.688 3.886 -7.280 1.00 0.00 N ATOM 528 CA ARG A 35 -9.878 4.713 -7.127 1.00 0.00 C ATOM 529 C ARG A 35 -10.578 4.386 -5.812 1.00 0.00 C ATOM 530 O ARG A 35 -10.945 5.281 -5.049 1.00 0.00 O ATOM 531 CB ARG A 35 -10.835 4.491 -8.301 1.00 0.00 C ATOM 532 CG ARG A 35 -11.905 5.564 -8.425 1.00 0.00 C ATOM 533 CD ARG A 35 -12.482 5.615 -9.830 1.00 0.00 C ATOM 534 NE ARG A 35 -13.078 4.340 -10.223 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.917 4.199 -11.247 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.260 5.249 -11.983 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.414 3.005 -11.536 1.00 0.00 N ATOM 0 H ARG A 35 -8.700 3.272 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.576 5.760 -7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.260 4.455 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.317 3.520 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.703 5.368 -7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.480 6.535 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.236 6.400 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.695 5.880 -10.536 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.837 3.510 -9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.880 6.170 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.903 5.135 -12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.154 2.195 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.057 2.896 -12.320 1.00 0.00 H new ATOM 551 N GLU A 36 -10.744 3.093 -5.550 1.00 0.00 N ATOM 552 CA GLU A 36 -11.385 2.639 -4.325 1.00 0.00 C ATOM 553 C GLU A 36 -10.505 2.948 -3.118 1.00 0.00 C ATOM 554 O GLU A 36 -11.005 3.186 -2.020 1.00 0.00 O ATOM 555 CB GLU A 36 -11.667 1.137 -4.395 1.00 0.00 C ATOM 556 CG GLU A 36 -12.966 0.729 -3.719 1.00 0.00 C ATOM 557 CD GLU A 36 -14.187 1.309 -4.405 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.464 2.511 -4.206 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.866 0.563 -5.141 1.00 0.00 O ATOM 0 H GLU A 36 -10.443 2.342 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.331 3.170 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.699 0.830 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.841 0.599 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.041 -0.358 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.948 1.056 -2.679 1.00 0.00 H new ATOM 566 N ALA A 37 -9.192 2.948 -3.332 1.00 0.00 N ATOM 567 CA ALA A 37 -8.248 3.233 -2.260 1.00 0.00 C ATOM 568 C ALA A 37 -8.298 4.706 -1.877 1.00 0.00 C ATOM 569 O ALA A 37 -8.092 5.061 -0.717 1.00 0.00 O ATOM 570 CB ALA A 37 -6.837 2.838 -2.673 1.00 0.00 C ATOM 0 H ALA A 37 -8.760 2.754 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.532 2.643 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.145 3.058 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.808 1.771 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.546 3.402 -3.560 1.00 0.00 H new ATOM 576 N GLU A 38 -8.590 5.557 -2.853 1.00 0.00 N ATOM 577 CA GLU A 38 -8.684 6.988 -2.605 1.00 0.00 C ATOM 578 C GLU A 38 -9.922 7.286 -1.773 1.00 0.00 C ATOM 579 O GLU A 38 -9.889 8.112 -0.862 1.00 0.00 O ATOM 580 CB GLU A 38 -8.734 7.762 -3.921 1.00 0.00 C ATOM 581 CG GLU A 38 -7.432 7.715 -4.704 1.00 0.00 C ATOM 582 CD GLU A 38 -7.609 8.123 -6.154 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.646 7.764 -6.749 1.00 0.00 O ATOM 584 OE2 GLU A 38 -6.710 8.802 -6.693 1.00 0.00 O ATOM 0 H GLU A 38 -8.765 5.281 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.798 7.306 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.535 7.359 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.985 8.802 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.704 8.374 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.023 6.706 -4.662 1.00 0.00 H new ATOM 591 N LYS A 39 -11.012 6.593 -2.088 1.00 0.00 N ATOM 592 CA LYS A 39 -12.262 6.768 -1.362 1.00 0.00 C ATOM 593 C LYS A 39 -12.101 6.317 0.086 1.00 0.00 C ATOM 594 O LYS A 39 -12.704 6.885 0.996 1.00 0.00 O ATOM 595 CB LYS A 39 -13.385 5.978 -2.041 1.00 0.00 C ATOM 596 CG LYS A 39 -14.685 5.954 -1.252 1.00 0.00 C ATOM 597 CD LYS A 39 -14.686 4.838 -0.221 1.00 0.00 C ATOM 598 CE LYS A 39 -16.080 4.266 -0.019 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.331 3.902 1.403 1.00 0.00 N ATOM 0 H LYS A 39 -11.053 5.906 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.524 7.826 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.576 6.408 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.050 4.953 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.828 6.913 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.524 5.822 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.009 4.045 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.307 5.218 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.822 4.996 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.205 3.384 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.356 3.859 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.907 2.974 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.906 4.619 2.025 1.00 0.00 H new ATOM 613 N LYS A 40 -11.278 5.291 0.292 1.00 0.00 N ATOM 614 CA LYS A 40 -11.032 4.765 1.628 1.00 0.00 C ATOM 615 C LYS A 40 -10.116 5.696 2.417 1.00 0.00 C ATOM 616 O LYS A 40 -10.291 5.882 3.622 1.00 0.00 O ATOM 617 CB LYS A 40 -10.413 3.372 1.545 1.00 0.00 C ATOM 618 CG LYS A 40 -11.381 2.302 1.064 1.00 0.00 C ATOM 619 CD LYS A 40 -11.002 0.928 1.594 1.00 0.00 C ATOM 620 CE LYS A 40 -12.018 -0.127 1.186 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.312 -1.074 2.297 1.00 0.00 N ATOM 0 H LYS A 40 -10.771 4.809 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.988 4.698 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.556 3.404 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.035 3.092 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.391 2.552 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.391 2.283 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.017 0.651 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.930 0.964 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.941 0.360 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.641 -0.681 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.009 -1.777 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.437 -1.558 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.696 -0.549 3.108 1.00 0.00 H new ATOM 635 N ILE A 41 -9.139 6.278 1.729 1.00 0.00 N ATOM 636 CA ILE A 41 -8.195 7.192 2.361 1.00 0.00 C ATOM 637 C ILE A 41 -8.836 8.552 2.626 1.00 0.00 C ATOM 638 O ILE A 41 -8.421 9.279 3.529 1.00 0.00 O ATOM 639 CB ILE A 41 -6.937 7.387 1.490 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.274 6.038 1.201 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.953 8.328 2.168 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.582 5.981 -0.143 1.00 0.00 C ATOM 0 H ILE A 41 -8.980 6.132 0.732 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.905 6.742 3.311 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.242 7.835 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.547 5.824 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.030 5.254 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.073 8.451 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.426 9.298 2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.654 7.911 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.135 4.997 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.309 6.163 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.803 6.742 -0.184 1.00 0.00 H new ATOM 654 N LYS A 42 -9.846 8.892 1.831 1.00 0.00 N ATOM 655 CA LYS A 42 -10.539 10.168 1.978 1.00 0.00 C ATOM 656 C LYS A 42 -11.410 10.199 3.235 1.00 0.00 C ATOM 657 O LYS A 42 -11.964 11.240 3.586 1.00 0.00 O ATOM 658 CB LYS A 42 -11.396 10.449 0.747 1.00 0.00 C ATOM 659 CG LYS A 42 -11.374 11.904 0.308 1.00 0.00 C ATOM 660 CD LYS A 42 -12.744 12.553 0.442 1.00 0.00 C ATOM 661 CE LYS A 42 -13.064 13.440 -0.751 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.112 12.842 -1.624 1.00 0.00 N ATOM 0 H LYS A 42 -10.203 8.302 1.079 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.779 10.943 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.049 9.825 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.425 10.157 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.650 12.455 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.041 11.967 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.506 11.779 0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.778 13.146 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.399 14.415 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.158 13.606 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.301 13.478 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.783 11.923 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.985 12.707 -1.076 1.00 0.00 H new ATOM 676 N GLU A 43 -11.535 9.056 3.909 1.00 0.00 N ATOM 677 CA GLU A 43 -12.345 8.972 5.117 1.00 0.00 C ATOM 678 C GLU A 43 -11.479 8.718 6.346 1.00 0.00 C ATOM 679 O GLU A 43 -11.813 9.146 7.451 1.00 0.00 O ATOM 680 CB GLU A 43 -13.391 7.865 4.978 1.00 0.00 C ATOM 681 CG GLU A 43 -14.376 8.098 3.845 1.00 0.00 C ATOM 682 CD GLU A 43 -15.399 6.984 3.724 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.051 5.918 3.172 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.545 7.178 4.179 1.00 0.00 O ATOM 0 H GLU A 43 -11.087 8.181 3.638 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.851 9.929 5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.883 6.914 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.942 7.777 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.892 9.045 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.830 8.188 2.906 1.00 0.00 H new ATOM 691 N LEU A 44 -10.368 8.017 6.149 1.00 0.00 N ATOM 692 CA LEU A 44 -9.458 7.705 7.244 1.00 0.00 C ATOM 693 C LEU A 44 -8.026 8.108 6.891 1.00 0.00 C ATOM 694 O LEU A 44 -7.669 8.202 5.716 1.00 0.00 O ATOM 695 CB LEU A 44 -9.533 6.208 7.576 1.00 0.00 C ATOM 696 CG LEU A 44 -8.263 5.592 8.167 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.603 4.378 9.017 1.00 0.00 C ATOM 698 CD2 LEU A 44 -7.293 5.215 7.057 1.00 0.00 C ATOM 0 H LEU A 44 -10.076 7.654 5.241 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.760 8.275 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.351 6.052 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.787 5.666 6.665 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.784 6.333 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.687 3.954 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.262 4.677 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.104 3.631 8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.394 4.778 7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.764 4.490 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.025 6.106 6.490 1.00 0.00 H new ATOM 710 N PHE A 45 -7.213 8.342 7.916 1.00 0.00 N ATOM 711 CA PHE A 45 -5.822 8.732 7.718 1.00 0.00 C ATOM 712 C PHE A 45 -4.906 7.513 7.749 1.00 0.00 C ATOM 713 O PHE A 45 -4.534 7.030 8.818 1.00 0.00 O ATOM 714 CB PHE A 45 -5.392 9.733 8.792 1.00 0.00 C ATOM 715 CG PHE A 45 -3.982 10.224 8.623 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.916 9.495 9.128 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.723 11.412 7.960 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.618 9.943 8.973 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.426 11.865 7.803 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.373 11.130 8.310 1.00 0.00 C ATOM 0 H PHE A 45 -7.494 8.268 8.894 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.740 9.203 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.070 10.586 8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.491 9.267 9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.102 8.567 9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.543 11.991 7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.796 9.366 9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.237 12.793 7.284 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.359 11.482 8.188 1.00 0.00 H new ATOM 730 N PHE A 46 -4.550 7.016 6.569 1.00 0.00 N ATOM 731 CA PHE A 46 -3.684 5.850 6.457 1.00 0.00 C ATOM 732 C PHE A 46 -2.213 6.230 6.637 1.00 0.00 C ATOM 733 O PHE A 46 -1.693 7.072 5.907 1.00 0.00 O ATOM 734 CB PHE A 46 -3.872 5.187 5.093 1.00 0.00 C ATOM 735 CG PHE A 46 -5.093 4.320 5.007 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.122 3.084 5.630 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.208 4.738 4.299 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.242 2.279 5.548 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.331 3.938 4.214 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.347 2.706 4.839 1.00 0.00 C ATOM 0 H PHE A 46 -4.849 7.405 5.675 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.961 5.153 7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.932 5.961 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.992 4.584 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.260 2.745 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.199 5.700 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.253 1.317 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.195 4.275 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.223 2.078 4.773 1.00 0.00 H new ATOM 750 N PRO A 47 -1.517 5.603 7.604 1.00 0.00 N ATOM 751 CA PRO A 47 -0.102 5.874 7.858 1.00 0.00 C ATOM 752 C PRO A 47 0.806 5.091 6.914 1.00 0.00 C ATOM 753 O PRO A 47 1.960 5.457 6.690 1.00 0.00 O ATOM 754 CB PRO A 47 0.077 5.394 9.294 1.00 0.00 C ATOM 755 CG PRO A 47 -0.884 4.263 9.431 1.00 0.00 C ATOM 756 CD PRO A 47 -2.048 4.573 8.521 1.00 0.00 C ATOM 0 HA PRO A 47 0.161 6.920 7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.101 5.070 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.140 6.188 10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.415 3.320 9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.216 4.160 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.378 3.687 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.907 4.942 9.082 1.00 0.00 H new ATOM 764 N VAL A 48 0.272 4.010 6.358 1.00 0.00 N ATOM 765 CA VAL A 48 1.018 3.171 5.435 1.00 0.00 C ATOM 766 C VAL A 48 0.095 2.535 4.404 1.00 0.00 C ATOM 767 O VAL A 48 -0.957 1.998 4.745 1.00 0.00 O ATOM 768 CB VAL A 48 1.761 2.057 6.182 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.882 1.482 5.330 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.291 2.591 7.493 1.00 0.00 C ATOM 0 H VAL A 48 -0.682 3.694 6.534 1.00 0.00 H new ATOM 0 HA VAL A 48 1.738 3.814 4.930 1.00 0.00 H new ATOM 0 HB VAL A 48 1.064 1.246 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.392 0.694 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.465 1.069 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.593 2.271 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.819 1.798 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.976 3.416 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.461 2.945 8.104 1.00 0.00 H new ATOM 780 N ILE A 49 0.505 2.596 3.149 1.00 0.00 N ATOM 781 CA ILE A 49 -0.262 2.022 2.055 1.00 0.00 C ATOM 782 C ILE A 49 0.563 0.954 1.352 1.00 0.00 C ATOM 783 O ILE A 49 1.786 0.926 1.479 1.00 0.00 O ATOM 784 CB ILE A 49 -0.677 3.092 1.026 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.213 4.337 1.734 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.718 2.531 0.068 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.499 4.094 2.493 1.00 0.00 C ATOM 0 H ILE A 49 1.375 3.043 2.859 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.165 1.585 2.481 1.00 0.00 H new ATOM 0 HB ILE A 49 0.203 3.378 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.456 4.706 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.379 5.122 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.001 3.299 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.302 1.673 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.598 2.219 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.821 5.020 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.271 3.755 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.334 3.332 3.255 1.00 0.00 H new ATOM 799 N VAL A 50 -0.103 0.081 0.611 1.00 0.00 N ATOM 800 CA VAL A 50 0.580 -0.983 -0.108 1.00 0.00 C ATOM 801 C VAL A 50 -0.220 -1.402 -1.327 1.00 0.00 C ATOM 802 O VAL A 50 -1.180 -2.166 -1.224 1.00 0.00 O ATOM 803 CB VAL A 50 0.822 -2.209 0.790 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.497 -3.329 0.012 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.655 -1.817 1.996 1.00 0.00 C ATOM 0 H VAL A 50 -1.116 0.089 0.492 1.00 0.00 H new ATOM 0 HA VAL A 50 1.546 -0.590 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.143 -2.578 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.657 -4.184 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.862 -3.627 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.457 -2.980 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.820 -2.692 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.615 -1.423 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.129 -1.053 2.569 1.00 0.00 H new ATOM 815 N LEU A 51 0.180 -0.893 -2.480 1.00 0.00 N ATOM 816 CA LEU A 51 -0.503 -1.212 -3.722 1.00 0.00 C ATOM 817 C LEU A 51 -0.271 -2.668 -4.107 1.00 0.00 C ATOM 818 O LEU A 51 0.602 -3.340 -3.556 1.00 0.00 O ATOM 819 CB LEU A 51 -0.045 -0.284 -4.850 1.00 0.00 C ATOM 820 CG LEU A 51 -0.978 -0.229 -6.064 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.414 0.021 -5.628 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.524 0.847 -7.038 1.00 0.00 C ATOM 0 H LEU A 51 0.972 -0.259 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.571 -1.062 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.064 0.724 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.942 -0.603 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.936 -1.194 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.060 0.056 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.740 -0.784 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.473 0.970 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.199 0.871 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.535 1.817 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.487 0.626 -7.379 1.00 0.00 H new ATOM 834 N ASP A 52 -1.065 -3.143 -5.052 1.00 0.00 N ATOM 835 CA ASP A 52 -0.969 -4.519 -5.524 1.00 0.00 C ATOM 836 C ASP A 52 -1.658 -4.667 -6.873 1.00 0.00 C ATOM 837 O ASP A 52 -2.768 -5.192 -6.963 1.00 0.00 O ATOM 838 CB ASP A 52 -1.595 -5.476 -4.507 1.00 0.00 C ATOM 839 CG ASP A 52 -0.860 -6.801 -4.431 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.277 -6.820 -3.914 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.422 -7.818 -4.889 1.00 0.00 O ATOM 0 H ASP A 52 -1.790 -2.593 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 52 0.085 -4.770 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.595 -5.007 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.636 -5.656 -4.775 1.00 0.00 H new ATOM 846 N VAL A 53 -0.992 -4.191 -7.915 1.00 0.00 N ATOM 847 CA VAL A 53 -1.528 -4.254 -9.267 1.00 0.00 C ATOM 848 C VAL A 53 -1.707 -5.698 -9.734 1.00 0.00 C ATOM 849 O VAL A 53 -0.929 -6.197 -10.546 1.00 0.00 O ATOM 850 CB VAL A 53 -0.611 -3.511 -10.258 1.00 0.00 C ATOM 851 CG1 VAL A 53 -1.212 -3.513 -11.655 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.356 -2.089 -9.783 1.00 0.00 C ATOM 0 H VAL A 53 -0.073 -3.754 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.504 -3.770 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 53 0.344 -4.035 -10.301 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.548 -2.983 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.338 -4.541 -11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.182 -3.017 -11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.293 -1.579 -10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.303 -1.555 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.125 -2.113 -8.805 1.00 0.00 H new ATOM 862 N TRP A 54 -2.744 -6.360 -9.228 1.00 0.00 N ATOM 863 CA TRP A 54 -3.024 -7.738 -9.614 1.00 0.00 C ATOM 864 C TRP A 54 -3.435 -7.790 -11.082 1.00 0.00 C ATOM 865 O TRP A 54 -2.622 -8.096 -11.954 1.00 0.00 O ATOM 866 CB TRP A 54 -4.126 -8.326 -8.725 1.00 0.00 C ATOM 867 CG TRP A 54 -4.554 -9.704 -9.132 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.829 -10.129 -9.369 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.706 -10.837 -9.347 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.826 -11.458 -9.719 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.534 -11.916 -9.713 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.326 -11.045 -9.267 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.027 -13.180 -9.997 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.825 -12.302 -9.549 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.673 -13.355 -9.911 1.00 0.00 C ATOM 0 H TRP A 54 -3.400 -5.967 -8.554 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.122 -8.335 -9.481 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.773 -8.354 -7.694 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.992 -7.664 -8.748 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.712 -9.511 -9.293 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.651 -12.013 -9.946 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.663 -10.238 -8.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.679 -13.994 -10.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.761 -12.475 -9.489 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.250 -14.325 -10.127 1.00 0.00 H new ATOM 886 N MET A 55 -4.696 -7.464 -11.353 1.00 0.00 N ATOM 887 CA MET A 55 -5.203 -7.449 -12.717 1.00 0.00 C ATOM 888 C MET A 55 -6.361 -6.457 -12.869 1.00 0.00 C ATOM 889 O MET A 55 -7.375 -6.777 -13.489 1.00 0.00 O ATOM 890 CB MET A 55 -5.661 -8.852 -13.126 1.00 0.00 C ATOM 891 CG MET A 55 -4.528 -9.739 -13.621 1.00 0.00 C ATOM 892 SD MET A 55 -4.908 -10.543 -15.190 1.00 0.00 S ATOM 893 CE MET A 55 -3.627 -9.858 -16.239 1.00 0.00 C ATOM 0 H MET A 55 -5.383 -7.207 -10.644 1.00 0.00 H new ATOM 0 HA MET A 55 -4.393 -7.129 -13.372 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.142 -9.332 -12.273 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.414 -8.766 -13.910 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.625 -9.139 -13.734 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.313 -10.500 -12.870 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.728 -10.261 -17.247 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.724 -8.773 -16.270 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.648 -10.123 -15.839 1.00 0.00 H new ATOM 903 N PRO A 56 -6.238 -5.236 -12.303 1.00 0.00 N ATOM 904 CA PRO A 56 -7.270 -4.219 -12.377 1.00 0.00 C ATOM 905 C PRO A 56 -7.003 -3.198 -13.485 1.00 0.00 C ATOM 906 O PRO A 56 -7.611 -3.258 -14.555 1.00 0.00 O ATOM 907 CB PRO A 56 -7.171 -3.562 -10.995 1.00 0.00 C ATOM 908 CG PRO A 56 -5.769 -3.831 -10.512 1.00 0.00 C ATOM 909 CD PRO A 56 -5.100 -4.725 -11.534 1.00 0.00 C ATOM 0 HA PRO A 56 -8.253 -4.627 -12.613 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.365 -2.491 -11.056 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.908 -3.980 -10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.217 -2.898 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.786 -4.312 -9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.402 -4.172 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.536 -5.529 -11.062 1.00 0.00 H new ATOM 917 N ASP A 57 -6.089 -2.264 -13.221 1.00 0.00 N ATOM 918 CA ASP A 57 -5.736 -1.232 -14.188 1.00 0.00 C ATOM 919 C ASP A 57 -4.507 -0.459 -13.720 1.00 0.00 C ATOM 920 O ASP A 57 -3.536 -0.307 -14.461 1.00 0.00 O ATOM 921 CB ASP A 57 -6.907 -0.274 -14.396 1.00 0.00 C ATOM 922 CG ASP A 57 -7.826 -0.718 -15.516 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.383 -0.720 -16.683 1.00 0.00 O ATOM 924 OD2 ASP A 57 -8.990 -1.065 -15.225 1.00 0.00 O ATOM 0 H ASP A 57 -5.579 -2.204 -12.340 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.505 -1.717 -15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.478 -0.196 -13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.523 0.722 -14.618 1.00 0.00 H new ATOM 929 N GLY A 58 -4.558 0.021 -12.480 1.00 0.00 N ATOM 930 CA GLY A 58 -3.445 0.769 -11.920 1.00 0.00 C ATOM 931 C GLY A 58 -3.018 1.934 -12.791 1.00 0.00 C ATOM 932 O GLY A 58 -3.850 2.725 -13.234 1.00 0.00 O ATOM 0 H GLY A 58 -5.353 -0.095 -11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.724 1.142 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.598 0.098 -11.779 1.00 0.00 H new ATOM 936 N ASP A 59 -1.714 2.040 -13.034 1.00 0.00 N ATOM 937 CA ASP A 59 -1.171 3.117 -13.854 1.00 0.00 C ATOM 938 C ASP A 59 -1.441 4.475 -13.212 1.00 0.00 C ATOM 939 O ASP A 59 -1.838 5.426 -13.885 1.00 0.00 O ATOM 940 CB ASP A 59 -1.774 3.072 -15.260 1.00 0.00 C ATOM 941 CG ASP A 59 -0.980 2.188 -16.201 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.455 1.152 -15.740 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.882 2.531 -17.398 1.00 0.00 O ATOM 0 H ASP A 59 -1.014 1.392 -12.674 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.092 2.978 -13.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.799 2.707 -15.201 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.818 4.083 -15.666 1.00 0.00 H new ATOM 948 N GLY A 60 -1.223 4.556 -11.903 1.00 0.00 N ATOM 949 CA GLY A 60 -1.447 5.799 -11.187 1.00 0.00 C ATOM 950 C GLY A 60 -0.162 6.412 -10.668 1.00 0.00 C ATOM 951 O GLY A 60 0.062 6.469 -9.459 1.00 0.00 O ATOM 0 H GLY A 60 -0.895 3.782 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.944 6.510 -11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.122 5.616 -10.351 1.00 0.00 H new ATOM 955 N VAL A 61 0.683 6.874 -11.583 1.00 0.00 N ATOM 956 CA VAL A 61 1.948 7.488 -11.218 1.00 0.00 C ATOM 957 C VAL A 61 1.728 8.709 -10.329 1.00 0.00 C ATOM 958 O VAL A 61 2.537 9.003 -9.450 1.00 0.00 O ATOM 959 CB VAL A 61 2.732 7.904 -12.476 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.989 8.665 -12.101 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.073 6.685 -13.319 1.00 0.00 C ATOM 0 H VAL A 61 0.511 6.833 -12.587 1.00 0.00 H new ATOM 0 HA VAL A 61 2.525 6.749 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 61 2.100 8.566 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.526 8.948 -13.006 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.719 9.562 -11.544 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.627 8.032 -11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.627 6.998 -14.204 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.683 5.997 -12.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.154 6.185 -13.624 1.00 0.00 H new ATOM 971 N ASN A 62 0.632 9.418 -10.568 1.00 0.00 N ATOM 972 CA ASN A 62 0.307 10.610 -9.793 1.00 0.00 C ATOM 973 C ASN A 62 -0.414 10.256 -8.490 1.00 0.00 C ATOM 974 O ASN A 62 -0.864 11.143 -7.764 1.00 0.00 O ATOM 975 CB ASN A 62 -0.556 11.562 -10.626 1.00 0.00 C ATOM 976 CG ASN A 62 0.136 12.883 -10.897 1.00 0.00 C ATOM 977 OD1 ASN A 62 0.131 13.784 -10.059 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.737 13.004 -12.075 1.00 0.00 N ATOM 0 H ASN A 62 -0.048 9.188 -11.293 1.00 0.00 H new ATOM 0 HA ASN A 62 1.244 11.103 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.807 11.085 -11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.495 11.747 -10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.220 13.870 -12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.716 12.231 -12.740 1.00 0.00 H new ATOM 985 N PHE A 63 -0.527 8.961 -8.195 1.00 0.00 N ATOM 986 CA PHE A 63 -1.196 8.515 -6.977 1.00 0.00 C ATOM 987 C PHE A 63 -0.348 8.810 -5.743 1.00 0.00 C ATOM 988 O PHE A 63 -0.876 9.128 -4.678 1.00 0.00 O ATOM 989 CB PHE A 63 -1.505 7.019 -7.047 1.00 0.00 C ATOM 990 CG PHE A 63 -2.307 6.524 -5.877 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.440 7.205 -5.462 1.00 0.00 C ATOM 992 CD2 PHE A 63 -1.926 5.383 -5.188 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.179 6.759 -4.384 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.662 4.933 -4.107 1.00 0.00 C ATOM 995 CZ PHE A 63 -3.789 5.623 -3.705 1.00 0.00 C ATOM 0 H PHE A 63 -0.166 8.208 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.132 9.068 -6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.050 6.810 -7.967 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.569 6.463 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.749 8.096 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.046 4.840 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.061 7.299 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.356 4.043 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.364 5.274 -2.860 1.00 0.00 H new ATOM 1005 N ILE A 64 0.969 8.700 -5.893 1.00 0.00 N ATOM 1006 CA ILE A 64 1.889 8.954 -4.787 1.00 0.00 C ATOM 1007 C ILE A 64 1.605 10.301 -4.131 1.00 0.00 C ATOM 1008 O ILE A 64 1.780 10.463 -2.923 1.00 0.00 O ATOM 1009 CB ILE A 64 3.356 8.921 -5.258 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.635 7.638 -6.045 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.300 9.035 -4.069 1.00 0.00 C ATOM 1012 CD1 ILE A 64 4.055 7.890 -7.475 1.00 0.00 C ATOM 0 H ILE A 64 1.423 8.437 -6.768 1.00 0.00 H new ATOM 0 HA ILE A 64 1.732 8.160 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 64 3.528 9.773 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.417 7.073 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.740 7.016 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.332 9.010 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.117 9.975 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.128 8.202 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.237 6.938 -7.974 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.264 8.428 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.968 8.486 -7.487 1.00 0.00 H new ATOM 1024 N ASP A 65 1.161 11.263 -4.932 1.00 0.00 N ATOM 1025 CA ASP A 65 0.847 12.592 -4.423 1.00 0.00 C ATOM 1026 C ASP A 65 -0.455 12.568 -3.632 1.00 0.00 C ATOM 1027 O ASP A 65 -0.615 13.301 -2.657 1.00 0.00 O ATOM 1028 CB ASP A 65 0.743 13.595 -5.574 1.00 0.00 C ATOM 1029 CG ASP A 65 1.103 15.005 -5.147 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.297 15.360 -5.220 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.190 15.751 -4.736 1.00 0.00 O ATOM 0 H ASP A 65 1.011 11.148 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 65 1.654 12.903 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.403 13.284 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.273 13.586 -5.969 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.380 11.712 -4.056 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.665 11.584 -3.381 1.00 0.00 C ATOM 1038 C PHE A 66 -2.460 11.158 -1.932 1.00 0.00 C ATOM 1039 O PHE A 66 -3.100 11.685 -1.022 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.549 10.569 -4.113 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.839 10.267 -3.405 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.883 9.320 -2.395 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.006 10.930 -3.749 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.068 9.039 -1.741 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.193 10.654 -3.099 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.225 9.708 -2.093 1.00 0.00 C ATOM 0 H PHE A 66 -1.263 11.098 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.164 12.553 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.773 10.948 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.991 9.642 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.981 8.795 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.987 11.671 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.090 8.298 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.096 11.178 -3.377 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.152 9.492 -1.583 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.555 10.206 -1.724 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.256 9.720 -0.385 1.00 0.00 C ATOM 1058 C ILE A 67 -0.716 10.856 0.480 1.00 0.00 C ATOM 1059 O ILE A 67 -1.128 11.028 1.627 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.237 8.558 -0.420 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.881 7.308 -1.026 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.292 8.254 0.977 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -0.990 7.352 -2.536 1.00 0.00 C ATOM 0 H ILE A 67 -1.018 9.758 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.184 9.345 0.047 1.00 0.00 H new ATOM 0 HB ILE A 67 0.604 8.861 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.298 6.433 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.877 7.181 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.007 7.433 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.785 9.139 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.537 7.973 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.456 6.434 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.598 8.207 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.005 7.447 -2.970 1.00 0.00 H new ATOM 1075 N LYS A 68 0.200 11.637 -0.085 1.00 0.00 N ATOM 1076 CA LYS A 68 0.785 12.765 0.628 1.00 0.00 C ATOM 1077 C LYS A 68 -0.208 13.922 0.707 1.00 0.00 C ATOM 1078 O LYS A 68 -0.108 14.781 1.583 1.00 0.00 O ATOM 1079 CB LYS A 68 2.070 13.225 -0.064 1.00 0.00 C ATOM 1080 CG LYS A 68 3.162 12.166 -0.088 1.00 0.00 C ATOM 1081 CD LYS A 68 4.247 12.459 0.937 1.00 0.00 C ATOM 1082 CE LYS A 68 5.603 11.954 0.472 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.960 10.655 1.108 1.00 0.00 N ATOM 0 H LYS A 68 0.552 11.509 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 68 1.026 12.442 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.837 13.517 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.448 14.113 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.726 11.188 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.604 12.120 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.299 13.533 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.989 11.990 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.595 11.837 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.367 12.695 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.891 10.345 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.993 10.772 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.245 9.940 0.863 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.169 13.935 -0.215 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.184 14.981 -0.252 1.00 0.00 C ATOM 1099 C GLU A 69 -3.096 14.894 0.966 1.00 0.00 C ATOM 1100 O GLU A 69 -3.505 15.914 1.523 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.012 14.869 -1.531 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.841 16.108 -1.829 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.138 15.784 -2.543 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.080 15.237 -3.664 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -6.215 16.076 -1.979 1.00 0.00 O ATOM 0 H GLU A 69 -1.264 13.231 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.678 15.946 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.344 14.678 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.676 14.008 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.064 16.625 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.255 16.794 -2.441 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.410 13.670 1.375 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.275 13.444 2.530 1.00 0.00 C ATOM 1114 C ASN A 70 -3.585 12.558 3.565 1.00 0.00 C ATOM 1115 O ASN A 70 -4.238 11.981 4.434 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.595 12.801 2.093 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.041 13.264 0.719 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.999 14.027 0.587 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.345 12.804 -0.314 1.00 0.00 N ATOM 0 H ASN A 70 -3.079 12.817 0.924 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.484 14.412 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.483 11.717 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.370 13.039 2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.597 13.081 -1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.558 12.174 -0.159 1.00 0.00 H new ATOM 1126 N SER A 71 -2.263 12.454 3.466 1.00 0.00 N ATOM 1127 CA SER A 71 -1.490 11.637 4.394 1.00 0.00 C ATOM 1128 C SER A 71 0.004 11.928 4.252 1.00 0.00 C ATOM 1129 O SER A 71 0.767 11.091 3.769 1.00 0.00 O ATOM 1130 CB SER A 71 -1.768 10.153 4.150 1.00 0.00 C ATOM 1131 OG SER A 71 -2.449 9.573 5.249 1.00 0.00 O ATOM 0 H SER A 71 -1.706 12.925 2.753 1.00 0.00 H new ATOM 0 HA SER A 71 -1.793 11.888 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.365 10.036 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.828 9.627 3.982 1.00 0.00 H new ATOM 0 HG SER A 71 -2.287 8.607 5.261 1.00 0.00 H new ATOM 1137 N PRO A 72 0.442 13.127 4.672 1.00 0.00 N ATOM 1138 CA PRO A 72 1.848 13.531 4.591 1.00 0.00 C ATOM 1139 C PRO A 72 2.731 12.745 5.549 1.00 0.00 C ATOM 1140 O PRO A 72 3.947 12.671 5.378 1.00 0.00 O ATOM 1141 CB PRO A 72 1.834 15.019 4.975 1.00 0.00 C ATOM 1142 CG PRO A 72 0.397 15.424 4.966 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.393 14.183 5.257 1.00 0.00 C ATOM 0 HA PRO A 72 2.260 13.344 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.278 15.174 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.413 15.612 4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.205 16.192 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.118 15.845 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.540 14.038 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.383 14.216 4.801 1.00 0.00 H new ATOM 1151 N ASP A 73 2.101 12.161 6.553 1.00 0.00 N ATOM 1152 CA ASP A 73 2.811 11.371 7.551 1.00 0.00 C ATOM 1153 C ASP A 73 2.536 9.883 7.363 1.00 0.00 C ATOM 1154 O ASP A 73 2.528 9.115 8.325 1.00 0.00 O ATOM 1155 CB ASP A 73 2.404 11.804 8.959 1.00 0.00 C ATOM 1156 CG ASP A 73 3.294 11.205 10.032 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.173 10.387 9.688 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.111 11.554 11.217 1.00 0.00 O ATOM 0 H ASP A 73 1.093 12.218 6.702 1.00 0.00 H new ATOM 0 HA ASP A 73 3.879 11.543 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.441 12.891 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.371 11.509 9.142 1.00 0.00 H new ATOM 1163 N SER A 74 2.308 9.482 6.116 1.00 0.00 N ATOM 1164 CA SER A 74 2.032 8.087 5.798 1.00 0.00 C ATOM 1165 C SER A 74 3.218 7.451 5.076 1.00 0.00 C ATOM 1166 O SER A 74 4.326 7.985 5.104 1.00 0.00 O ATOM 1167 CB SER A 74 0.774 7.984 4.934 1.00 0.00 C ATOM 1168 OG SER A 74 0.427 6.632 4.692 1.00 0.00 O ATOM 0 H SER A 74 2.309 10.105 5.309 1.00 0.00 H new ATOM 0 HA SER A 74 1.869 7.548 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.053 8.491 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.938 8.495 3.985 1.00 0.00 H new ATOM 0 HG SER A 74 -0.529 6.504 4.863 1.00 0.00 H new ATOM 1174 N VAL A 75 2.982 6.318 4.416 1.00 0.00 N ATOM 1175 CA VAL A 75 4.044 5.641 3.681 1.00 0.00 C ATOM 1176 C VAL A 75 3.504 4.879 2.480 1.00 0.00 C ATOM 1177 O VAL A 75 2.490 4.204 2.566 1.00 0.00 O ATOM 1178 CB VAL A 75 4.826 4.655 4.556 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.910 3.991 3.717 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.420 5.362 5.763 1.00 0.00 C ATOM 0 H VAL A 75 2.074 5.855 4.376 1.00 0.00 H new ATOM 0 HA VAL A 75 4.713 6.435 3.348 1.00 0.00 H new ATOM 0 HB VAL A 75 4.149 3.887 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.469 3.289 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.450 3.457 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.587 4.752 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.971 4.644 6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.097 6.148 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.619 5.802 6.358 1.00 0.00 H new ATOM 1190 N VAL A 76 4.182 5.020 1.352 1.00 0.00 N ATOM 1191 CA VAL A 76 3.756 4.361 0.120 1.00 0.00 C ATOM 1192 C VAL A 76 4.669 3.195 -0.252 1.00 0.00 C ATOM 1193 O VAL A 76 5.854 3.383 -0.530 1.00 0.00 O ATOM 1194 CB VAL A 76 3.710 5.355 -1.056 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.094 4.702 -2.285 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.942 6.611 -0.670 1.00 0.00 C ATOM 0 H VAL A 76 5.028 5.583 1.260 1.00 0.00 H new ATOM 0 HA VAL A 76 2.755 3.974 0.310 1.00 0.00 H new ATOM 0 HB VAL A 76 4.732 5.644 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.070 5.420 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.692 3.838 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.078 4.380 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.922 7.299 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.922 6.344 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.432 7.091 0.177 1.00 0.00 H new ATOM 1206 N ILE A 77 4.101 1.992 -0.264 1.00 0.00 N ATOM 1207 CA ILE A 77 4.850 0.789 -0.614 1.00 0.00 C ATOM 1208 C ILE A 77 4.229 0.085 -1.822 1.00 0.00 C ATOM 1209 O ILE A 77 4.006 -1.126 -1.801 1.00 0.00 O ATOM 1210 CB ILE A 77 4.912 -0.207 0.562 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.233 0.522 1.869 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.944 -1.291 0.285 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.580 1.210 1.868 1.00 0.00 C ATOM 0 H ILE A 77 3.121 1.824 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 77 5.861 1.113 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 77 3.935 -0.679 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.457 1.263 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.201 -0.193 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.976 -1.986 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.671 -1.830 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.925 -0.834 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.737 1.704 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.366 0.472 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.610 1.950 1.069 1.00 0.00 H new ATOM 1225 N VAL A 78 3.957 0.851 -2.876 1.00 0.00 N ATOM 1226 CA VAL A 78 3.365 0.308 -4.100 1.00 0.00 C ATOM 1227 C VAL A 78 4.061 -0.986 -4.525 1.00 0.00 C ATOM 1228 O VAL A 78 5.288 -1.071 -4.528 1.00 0.00 O ATOM 1229 CB VAL A 78 3.451 1.334 -5.251 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.885 0.757 -6.542 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.727 2.617 -4.873 1.00 0.00 C ATOM 0 H VAL A 78 4.138 1.854 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 78 2.318 0.092 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 78 4.502 1.566 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.958 1.501 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.452 -0.131 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.839 0.488 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.797 3.330 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.679 2.397 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.186 3.045 -3.982 1.00 0.00 H new ATOM 1241 N ILE A 79 3.263 -1.989 -4.877 1.00 0.00 N ATOM 1242 CA ILE A 79 3.793 -3.280 -5.296 1.00 0.00 C ATOM 1243 C ILE A 79 3.114 -3.760 -6.576 1.00 0.00 C ATOM 1244 O ILE A 79 2.093 -3.211 -6.990 1.00 0.00 O ATOM 1245 CB ILE A 79 3.603 -4.349 -4.200 1.00 0.00 C ATOM 1246 CG1 ILE A 79 3.760 -3.724 -2.813 1.00 0.00 C ATOM 1247 CG2 ILE A 79 4.593 -5.488 -4.388 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.554 -4.703 -1.677 1.00 0.00 C ATOM 0 H ILE A 79 2.245 -1.931 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 79 4.859 -3.141 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 79 2.595 -4.755 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.756 -3.290 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.047 -2.906 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.444 -6.232 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.436 -5.950 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.610 -5.100 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.681 -4.188 -0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.548 -5.119 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.284 -5.508 -1.754 1.00 0.00 H new ATOM 1260 N THR A 80 3.681 -4.794 -7.194 1.00 0.00 N ATOM 1261 CA THR A 80 3.124 -5.355 -8.423 1.00 0.00 C ATOM 1262 C THR A 80 3.226 -4.361 -9.576 1.00 0.00 C ATOM 1263 O THR A 80 3.314 -3.152 -9.363 1.00 0.00 O ATOM 1264 CB THR A 80 1.662 -5.759 -8.209 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.336 -5.748 -6.833 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.332 -7.136 -8.734 1.00 0.00 C ATOM 0 H THR A 80 4.526 -5.260 -6.864 1.00 0.00 H new ATOM 0 HA THR A 80 3.705 -6.240 -8.681 1.00 0.00 H new ATOM 0 HB THR A 80 1.082 -5.024 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.979 -6.623 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.280 -7.354 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.526 -7.173 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.951 -7.876 -8.228 1.00 0.00 H new ATOM 1317 N VAL A 85 9.632 -3.842 -14.881 1.00 0.00 N ATOM 1318 CA VAL A 85 9.954 -3.022 -13.720 1.00 0.00 C ATOM 1319 C VAL A 85 10.146 -1.560 -14.116 1.00 0.00 C ATOM 1320 O VAL A 85 11.250 -1.021 -14.030 1.00 0.00 O ATOM 1321 CB VAL A 85 11.228 -3.524 -13.011 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.461 -2.756 -11.719 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.136 -5.018 -12.742 1.00 0.00 C ATOM 0 HA VAL A 85 9.112 -3.102 -13.033 1.00 0.00 H new ATOM 0 HB VAL A 85 12.079 -3.348 -13.669 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.365 -3.125 -11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.577 -1.695 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.609 -2.896 -11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.044 -5.354 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.274 -5.221 -12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.024 -5.551 -13.686 1.00 0.00 H new ATOM 1333 N ASP A 86 9.064 -0.924 -14.552 1.00 0.00 N ATOM 1334 CA ASP A 86 9.113 0.475 -14.960 1.00 0.00 C ATOM 1335 C ASP A 86 8.270 1.344 -14.034 1.00 0.00 C ATOM 1336 O ASP A 86 8.782 2.274 -13.412 1.00 0.00 O ATOM 1337 CB ASP A 86 8.633 0.626 -16.404 1.00 0.00 C ATOM 1338 CG ASP A 86 8.727 2.056 -16.899 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.823 2.649 -16.799 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.706 2.584 -17.387 1.00 0.00 O ATOM 0 H ASP A 86 8.143 -1.355 -14.632 1.00 0.00 H new ATOM 0 HA ASP A 86 10.148 0.809 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.228 -0.019 -17.051 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.600 0.286 -16.478 1.00 0.00 H new ATOM 1345 N THR A 87 6.975 1.039 -13.937 1.00 0.00 N ATOM 1346 CA THR A 87 6.075 1.802 -13.075 1.00 0.00 C ATOM 1347 C THR A 87 6.695 1.999 -11.698 1.00 0.00 C ATOM 1348 O THR A 87 6.511 3.035 -11.060 1.00 0.00 O ATOM 1349 CB THR A 87 4.724 1.090 -12.949 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.745 1.964 -12.417 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.766 -0.142 -12.066 1.00 0.00 C ATOM 0 H THR A 87 6.529 0.273 -14.442 1.00 0.00 H new ATOM 0 HA THR A 87 5.914 2.780 -13.527 1.00 0.00 H new ATOM 0 HB THR A 87 4.472 0.778 -13.963 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.889 1.492 -12.346 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.775 -0.593 -12.024 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.475 -0.861 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.079 0.141 -11.061 1.00 0.00 H new ATOM 1359 N ALA A 88 7.447 0.996 -11.257 1.00 0.00 N ATOM 1360 CA ALA A 88 8.116 1.051 -9.968 1.00 0.00 C ATOM 1361 C ALA A 88 9.039 2.257 -9.907 1.00 0.00 C ATOM 1362 O ALA A 88 8.885 3.133 -9.059 1.00 0.00 O ATOM 1363 CB ALA A 88 8.905 -0.225 -9.733 1.00 0.00 C ATOM 0 H ALA A 88 7.607 0.134 -11.778 1.00 0.00 H new ATOM 0 HA ALA A 88 7.363 1.147 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.402 -0.172 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.228 -1.079 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.652 -0.341 -10.518 1.00 0.00 H new ATOM 1369 N VAL A 89 9.995 2.293 -10.824 1.00 0.00 N ATOM 1370 CA VAL A 89 10.945 3.389 -10.891 1.00 0.00 C ATOM 1371 C VAL A 89 10.235 4.713 -11.171 1.00 0.00 C ATOM 1372 O VAL A 89 10.738 5.783 -10.831 1.00 0.00 O ATOM 1373 CB VAL A 89 12.009 3.137 -11.981 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.742 1.834 -11.712 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.376 3.115 -13.367 1.00 0.00 C ATOM 0 H VAL A 89 10.132 1.573 -11.533 1.00 0.00 H new ATOM 0 HA VAL A 89 11.439 3.448 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 89 12.728 3.956 -11.950 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.489 1.670 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.234 1.887 -10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.030 1.009 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.147 2.936 -14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.632 2.320 -13.415 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.896 4.074 -13.563 1.00 0.00 H new ATOM 1385 N LYS A 90 9.064 4.629 -11.797 1.00 0.00 N ATOM 1386 CA LYS A 90 8.282 5.816 -12.129 1.00 0.00 C ATOM 1387 C LYS A 90 7.413 6.257 -10.952 1.00 0.00 C ATOM 1388 O LYS A 90 6.950 7.396 -10.907 1.00 0.00 O ATOM 1389 CB LYS A 90 7.398 5.541 -13.347 1.00 0.00 C ATOM 1390 CG LYS A 90 6.577 6.741 -13.787 1.00 0.00 C ATOM 1391 CD LYS A 90 6.039 6.564 -15.197 1.00 0.00 C ATOM 1392 CE LYS A 90 6.902 7.290 -16.218 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.546 8.732 -16.321 1.00 0.00 N ATOM 0 H LYS A 90 8.635 3.749 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 90 8.980 6.621 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.027 5.218 -14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.725 4.715 -13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.747 6.888 -13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.192 7.640 -13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.999 5.503 -15.442 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.018 6.942 -15.248 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.952 7.194 -15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.786 6.817 -17.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.157 9.191 -17.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.552 8.824 -16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.681 9.190 -15.397 1.00 0.00 H new ATOM 1407 N ALA A 91 7.185 5.348 -10.008 1.00 0.00 N ATOM 1408 CA ALA A 91 6.362 5.653 -8.845 1.00 0.00 C ATOM 1409 C ALA A 91 7.209 5.853 -7.591 1.00 0.00 C ATOM 1410 O ALA A 91 6.855 6.637 -6.711 1.00 0.00 O ATOM 1411 CB ALA A 91 5.344 4.545 -8.620 1.00 0.00 C ATOM 0 H ALA A 91 7.557 4.399 -10.026 1.00 0.00 H new ATOM 0 HA ALA A 91 5.839 6.589 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.734 4.783 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.704 4.456 -9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.864 3.602 -8.453 1.00 0.00 H new ATOM 1417 N ILE A 92 8.322 5.132 -7.508 1.00 0.00 N ATOM 1418 CA ILE A 92 9.205 5.227 -6.352 1.00 0.00 C ATOM 1419 C ILE A 92 10.078 6.480 -6.407 1.00 0.00 C ATOM 1420 O ILE A 92 10.637 6.900 -5.393 1.00 0.00 O ATOM 1421 CB ILE A 92 10.101 3.974 -6.217 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.247 4.003 -7.234 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.269 2.710 -6.394 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.127 2.771 -7.187 1.00 0.00 C ATOM 0 H ILE A 92 8.633 4.477 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 92 8.561 5.293 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 92 10.536 3.974 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.831 4.104 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.861 4.885 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.912 1.835 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.492 2.676 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.808 2.713 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.917 2.859 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.572 2.679 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.526 1.886 -7.398 1.00 0.00 H new ATOM 1436 N LYS A 93 10.193 7.075 -7.590 1.00 0.00 N ATOM 1437 CA LYS A 93 10.999 8.280 -7.761 1.00 0.00 C ATOM 1438 C LYS A 93 10.194 9.535 -7.429 1.00 0.00 C ATOM 1439 O LYS A 93 10.761 10.604 -7.207 1.00 0.00 O ATOM 1440 CB LYS A 93 11.530 8.364 -9.195 1.00 0.00 C ATOM 1441 CG LYS A 93 12.967 7.891 -9.338 1.00 0.00 C ATOM 1442 CD LYS A 93 13.158 7.051 -10.592 1.00 0.00 C ATOM 1443 CE LYS A 93 14.592 7.116 -11.094 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.656 7.227 -12.578 1.00 0.00 N ATOM 0 H LYS A 93 9.740 6.744 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 93 11.840 8.221 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.892 7.766 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.459 9.395 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.633 8.753 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.247 7.306 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.892 6.015 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.482 7.401 -11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.096 7.971 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.130 6.224 -10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.650 7.269 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.198 6.398 -13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.165 8.092 -12.883 1.00 0.00 H new ATOM 1458 N LYS A 94 8.870 9.401 -7.396 1.00 0.00 N ATOM 1459 CA LYS A 94 7.998 10.530 -7.093 1.00 0.00 C ATOM 1460 C LYS A 94 7.928 10.789 -5.590 1.00 0.00 C ATOM 1461 O LYS A 94 7.640 11.905 -5.159 1.00 0.00 O ATOM 1462 CB LYS A 94 6.596 10.284 -7.643 1.00 0.00 C ATOM 1463 CG LYS A 94 5.828 11.562 -7.939 1.00 0.00 C ATOM 1464 CD LYS A 94 4.396 11.270 -8.359 1.00 0.00 C ATOM 1465 CE LYS A 94 3.718 12.504 -8.933 1.00 0.00 C ATOM 1466 NZ LYS A 94 3.543 12.406 -10.408 1.00 0.00 N ATOM 0 H LYS A 94 8.380 8.524 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 94 8.421 11.413 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.671 9.695 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.032 9.689 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.826 12.199 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.334 12.116 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.390 10.472 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.830 10.910 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.745 12.637 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.311 13.387 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.960 13.200 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.474 12.442 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.073 11.508 -10.643 1.00 0.00 H new ATOM 1480 N GLY A 95 8.191 9.755 -4.795 1.00 0.00 N ATOM 1481 CA GLY A 95 8.149 9.908 -3.352 1.00 0.00 C ATOM 1482 C GLY A 95 7.926 8.598 -2.615 1.00 0.00 C ATOM 1483 O GLY A 95 8.181 8.511 -1.414 1.00 0.00 O ATOM 0 H GLY A 95 8.431 8.819 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.085 10.353 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.352 10.604 -3.090 1.00 0.00 H new ATOM 1487 N ALA A 96 7.444 7.579 -3.325 1.00 0.00 N ATOM 1488 CA ALA A 96 7.188 6.277 -2.712 1.00 0.00 C ATOM 1489 C ALA A 96 8.398 5.785 -1.922 1.00 0.00 C ATOM 1490 O ALA A 96 9.443 6.433 -1.895 1.00 0.00 O ATOM 1491 CB ALA A 96 6.792 5.256 -3.770 1.00 0.00 C ATOM 0 H ALA A 96 7.224 7.629 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 96 6.360 6.396 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.605 4.293 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.888 5.591 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.599 5.152 -4.495 1.00 0.00 H new ATOM 1497 N TYR A 97 8.241 4.637 -1.272 1.00 0.00 N ATOM 1498 CA TYR A 97 9.310 4.055 -0.468 1.00 0.00 C ATOM 1499 C TYR A 97 9.962 2.877 -1.184 1.00 0.00 C ATOM 1500 O TYR A 97 10.479 1.959 -0.550 1.00 0.00 O ATOM 1501 CB TYR A 97 8.750 3.601 0.873 1.00 0.00 C ATOM 1502 CG TYR A 97 9.789 3.052 1.824 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.725 3.887 2.419 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.832 1.697 2.126 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.674 3.388 3.289 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.778 1.190 2.994 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.697 2.039 3.574 1.00 0.00 C ATOM 1508 OH TYR A 97 12.642 1.537 4.440 1.00 0.00 O ATOM 0 H TYR A 97 7.381 4.089 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 97 10.073 4.817 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.248 4.443 1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.993 2.836 0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.711 4.944 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.113 1.029 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.395 4.051 3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.798 0.134 3.218 1.00 0.00 H new ATOM 0 HH TYR A 97 12.281 1.532 5.351 1.00 0.00 H new ATOM 1518 N GLU A 98 9.928 2.919 -2.510 1.00 0.00 N ATOM 1519 CA GLU A 98 10.509 1.866 -3.347 1.00 0.00 C ATOM 1520 C GLU A 98 9.553 0.683 -3.479 1.00 0.00 C ATOM 1521 O GLU A 98 8.891 0.294 -2.517 1.00 0.00 O ATOM 1522 CB GLU A 98 11.876 1.413 -2.799 1.00 0.00 C ATOM 1523 CG GLU A 98 11.841 0.122 -1.989 1.00 0.00 C ATOM 1524 CD GLU A 98 12.910 0.081 -0.913 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.427 1.158 -0.548 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.230 -1.028 -0.436 1.00 0.00 O ATOM 0 H GLU A 98 9.500 3.679 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 98 10.669 2.281 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.562 1.283 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.283 2.208 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.860 0.014 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.972 -0.727 -2.659 1.00 0.00 H new ATOM 1533 N PHE A 99 9.488 0.122 -4.681 1.00 0.00 N ATOM 1534 CA PHE A 99 8.614 -1.012 -4.953 1.00 0.00 C ATOM 1535 C PHE A 99 8.960 -2.200 -4.058 1.00 0.00 C ATOM 1536 O PHE A 99 10.126 -2.441 -3.750 1.00 0.00 O ATOM 1537 CB PHE A 99 8.722 -1.412 -6.425 1.00 0.00 C ATOM 1538 CG PHE A 99 7.464 -1.163 -7.210 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.756 0.018 -7.054 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.992 -2.110 -8.106 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.601 0.252 -7.778 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.837 -1.882 -8.830 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.141 -0.700 -8.667 1.00 0.00 C ATOM 0 H PHE A 99 10.032 0.436 -5.485 1.00 0.00 H new ATOM 0 HA PHE A 99 7.588 -0.713 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.542 -0.860 -6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.976 -2.470 -6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.110 0.765 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.533 -3.035 -8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.060 1.178 -7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.478 -2.628 -9.523 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.239 -0.521 -9.233 1.00 0.00 H new ATOM 1553 N LEU A 100 7.933 -2.936 -3.644 1.00 0.00 N ATOM 1554 CA LEU A 100 8.117 -4.099 -2.787 1.00 0.00 C ATOM 1555 C LEU A 100 8.425 -5.341 -3.620 1.00 0.00 C ATOM 1556 O LEU A 100 7.539 -5.907 -4.259 1.00 0.00 O ATOM 1557 CB LEU A 100 6.858 -4.326 -1.944 1.00 0.00 C ATOM 1558 CG LEU A 100 7.064 -5.088 -0.632 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.089 -6.197 -0.804 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.483 -4.134 0.475 1.00 0.00 C ATOM 0 H LEU A 100 6.962 -2.745 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 100 8.963 -3.914 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.418 -3.356 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.132 -4.870 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 100 6.116 -5.548 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.218 -6.723 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.744 -6.897 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.042 -5.767 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.625 -4.691 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.417 -3.644 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.708 -3.382 0.620 1.00 0.00 H new ATOM 1572 N GLU A 101 9.687 -5.757 -3.612 1.00 0.00 N ATOM 1573 CA GLU A 101 10.113 -6.929 -4.370 1.00 0.00 C ATOM 1574 C GLU A 101 9.463 -8.200 -3.829 1.00 0.00 C ATOM 1575 O GLU A 101 9.042 -8.253 -2.675 1.00 0.00 O ATOM 1576 CB GLU A 101 11.638 -7.061 -4.328 1.00 0.00 C ATOM 1577 CG GLU A 101 12.262 -7.323 -5.688 1.00 0.00 C ATOM 1578 CD GLU A 101 12.156 -8.777 -6.110 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.335 -9.660 -5.245 1.00 0.00 O ATOM 1580 OE2 GLU A 101 11.894 -9.031 -7.304 1.00 0.00 O ATOM 0 H GLU A 101 10.434 -5.300 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 101 9.794 -6.796 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.062 -6.147 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.906 -7.873 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.774 -6.696 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.312 -7.031 -5.664 1.00 0.00 H new ATOM 1654 N VAL A 106 3.713 -10.999 0.297 1.00 0.00 N ATOM 1655 CA VAL A 106 4.137 -9.825 1.061 1.00 0.00 C ATOM 1656 C VAL A 106 5.243 -10.164 2.070 1.00 0.00 C ATOM 1657 O VAL A 106 5.473 -9.422 3.023 1.00 0.00 O ATOM 1658 CB VAL A 106 2.936 -9.166 1.784 1.00 0.00 C ATOM 1659 CG1 VAL A 106 1.738 -9.079 0.851 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.560 -9.908 3.062 1.00 0.00 C ATOM 0 HA VAL A 106 4.547 -9.114 0.344 1.00 0.00 H new ATOM 0 HB VAL A 106 3.241 -8.159 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.903 -8.614 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.999 -8.480 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.453 -10.081 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.713 -9.411 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.288 -10.935 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.409 -9.909 3.746 1.00 0.00 H new ATOM 1670 N GLU A 107 5.920 -11.291 1.854 1.00 0.00 N ATOM 1671 CA GLU A 107 6.990 -11.722 2.743 1.00 0.00 C ATOM 1672 C GLU A 107 7.980 -10.582 2.983 1.00 0.00 C ATOM 1673 O GLU A 107 8.267 -10.230 4.127 1.00 0.00 O ATOM 1674 CB GLU A 107 7.699 -12.942 2.145 1.00 0.00 C ATOM 1675 CG GLU A 107 9.099 -13.171 2.684 1.00 0.00 C ATOM 1676 CD GLU A 107 9.417 -14.639 2.880 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.232 -15.420 1.923 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.853 -15.010 3.991 1.00 0.00 O ATOM 0 H GLU A 107 5.744 -11.920 1.070 1.00 0.00 H new ATOM 0 HA GLU A 107 6.562 -12.002 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.097 -13.830 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.753 -12.823 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.824 -12.735 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.208 -12.650 3.635 1.00 0.00 H new ATOM 1685 N ARG A 108 8.483 -9.999 1.901 1.00 0.00 N ATOM 1686 CA ARG A 108 9.422 -8.888 2.003 1.00 0.00 C ATOM 1687 C ARG A 108 8.715 -7.651 2.550 1.00 0.00 C ATOM 1688 O ARG A 108 9.331 -6.798 3.188 1.00 0.00 O ATOM 1689 CB ARG A 108 10.041 -8.582 0.637 1.00 0.00 C ATOM 1690 CG ARG A 108 11.464 -9.093 0.484 1.00 0.00 C ATOM 1691 CD ARG A 108 11.489 -10.551 0.056 1.00 0.00 C ATOM 1692 NE ARG A 108 12.748 -11.203 0.410 1.00 0.00 N ATOM 1693 CZ ARG A 108 12.947 -12.517 0.342 1.00 0.00 C ATOM 1694 NH1 ARG A 108 11.975 -13.323 -0.064 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.124 -13.026 0.680 1.00 0.00 N ATOM 0 H ARG A 108 8.257 -10.276 0.946 1.00 0.00 H new ATOM 0 HA ARG A 108 10.220 -9.170 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.419 -9.025 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.032 -7.504 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.992 -8.487 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.996 -8.981 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.661 -11.081 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.338 -10.615 -1.022 1.00 0.00 H new ATOM 0 HE ARG A 108 13.520 -10.616 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.068 -12.937 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.134 -14.329 -0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.875 -12.411 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.278 -14.033 0.628 1.00 0.00 H new ATOM 1709 N PHE A 109 7.411 -7.572 2.297 1.00 0.00 N ATOM 1710 CA PHE A 109 6.600 -6.454 2.762 1.00 0.00 C ATOM 1711 C PHE A 109 6.614 -6.379 4.288 1.00 0.00 C ATOM 1712 O PHE A 109 6.431 -5.310 4.869 1.00 0.00 O ATOM 1713 CB PHE A 109 5.166 -6.603 2.225 1.00 0.00 C ATOM 1714 CG PHE A 109 4.077 -6.264 3.211 1.00 0.00 C ATOM 1715 CD1 PHE A 109 3.757 -7.141 4.237 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.368 -5.080 3.103 1.00 0.00 C ATOM 1717 CE1 PHE A 109 2.751 -6.842 5.135 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.361 -4.774 4.001 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.053 -5.657 5.017 1.00 0.00 C ATOM 0 H PHE A 109 6.893 -8.274 1.769 1.00 0.00 H new ATOM 0 HA PHE A 109 7.019 -5.522 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.054 -5.964 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.025 -7.631 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.301 -8.069 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.604 -4.387 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.511 -7.534 5.928 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.817 -3.846 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.267 -5.421 5.719 1.00 0.00 H new ATOM 1729 N LEU A 110 6.836 -7.524 4.929 1.00 0.00 N ATOM 1730 CA LEU A 110 6.876 -7.593 6.385 1.00 0.00 C ATOM 1731 C LEU A 110 7.839 -6.559 6.964 1.00 0.00 C ATOM 1732 O LEU A 110 7.502 -5.840 7.904 1.00 0.00 O ATOM 1733 CB LEU A 110 7.285 -8.994 6.830 1.00 0.00 C ATOM 1734 CG LEU A 110 6.482 -9.561 8.000 1.00 0.00 C ATOM 1735 CD1 LEU A 110 6.490 -11.082 7.965 1.00 0.00 C ATOM 1736 CD2 LEU A 110 7.036 -9.052 9.321 1.00 0.00 C ATOM 0 H LEU A 110 6.991 -8.417 4.461 1.00 0.00 H new ATOM 0 HA LEU A 110 5.877 -7.371 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 110 7.189 -9.671 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.339 -8.978 7.107 1.00 0.00 H new ATOM 0 HG LEU A 110 5.450 -9.222 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.913 -11.468 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.046 -11.427 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.517 -11.442 8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.453 -9.465 10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.076 -9.361 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.977 -7.964 9.345 1.00 0.00 H new ATOM 1748 N LEU A 111 9.040 -6.493 6.397 1.00 0.00 N ATOM 1749 CA LEU A 111 10.051 -5.548 6.860 1.00 0.00 C ATOM 1750 C LEU A 111 9.673 -4.117 6.491 1.00 0.00 C ATOM 1751 O LEU A 111 9.642 -3.238 7.350 1.00 0.00 O ATOM 1752 CB LEU A 111 11.419 -5.896 6.269 1.00 0.00 C ATOM 1753 CG LEU A 111 11.900 -7.323 6.547 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.642 -8.219 5.346 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.378 -7.327 6.909 1.00 0.00 C ATOM 0 H LEU A 111 9.336 -7.081 5.618 1.00 0.00 H new ATOM 0 HA LEU A 111 10.105 -5.621 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.381 -5.745 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.157 -5.197 6.663 1.00 0.00 H new ATOM 0 HG LEU A 111 11.337 -7.715 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.991 -9.228 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.573 -8.242 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.177 -7.829 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.702 -8.349 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.956 -6.914 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.536 -6.721 7.801 1.00 0.00 H new ATOM 1767 N THR A 112 9.387 -3.879 5.213 1.00 0.00 N ATOM 1768 CA THR A 112 9.008 -2.544 4.759 1.00 0.00 C ATOM 1769 C THR A 112 8.002 -1.925 5.727 1.00 0.00 C ATOM 1770 O THR A 112 8.030 -0.724 5.991 1.00 0.00 O ATOM 1771 CB THR A 112 8.424 -2.606 3.346 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.415 -3.023 2.420 1.00 0.00 O ATOM 1773 CG2 THR A 112 7.867 -1.280 2.868 1.00 0.00 C ATOM 0 H THR A 112 9.410 -4.587 4.479 1.00 0.00 H new ATOM 0 HA THR A 112 9.899 -1.917 4.735 1.00 0.00 H new ATOM 0 HB THR A 112 7.604 -3.322 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.431 -2.406 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.469 -1.395 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.070 -0.957 3.538 1.00 0.00 H new ATOM 0 HG23 THR A 112 8.661 -0.533 2.862 1.00 0.00 H new ATOM 1781 N ILE A 113 7.131 -2.771 6.268 1.00 0.00 N ATOM 1782 CA ILE A 113 6.128 -2.333 7.228 1.00 0.00 C ATOM 1783 C ILE A 113 6.799 -1.890 8.525 1.00 0.00 C ATOM 1784 O ILE A 113 6.778 -0.711 8.877 1.00 0.00 O ATOM 1785 CB ILE A 113 5.113 -3.458 7.529 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.168 -3.651 6.343 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.323 -3.156 8.794 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.435 -2.389 5.941 1.00 0.00 C ATOM 0 H ILE A 113 7.101 -3.768 6.055 1.00 0.00 H new ATOM 0 HA ILE A 113 5.591 -1.492 6.789 1.00 0.00 H new ATOM 0 HB ILE A 113 5.668 -4.382 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.739 -4.017 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.438 -4.421 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.616 -3.964 8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.007 -3.068 9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.779 -2.220 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.783 -2.601 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.836 -2.033 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.157 -1.623 5.660 1.00 0.00 H new ATOM 1800 N LYS A 114 7.403 -2.847 9.228 1.00 0.00 N ATOM 1801 CA LYS A 114 8.090 -2.556 10.482 1.00 0.00 C ATOM 1802 C LYS A 114 9.156 -1.479 10.291 1.00 0.00 C ATOM 1803 O LYS A 114 9.583 -0.838 11.250 1.00 0.00 O ATOM 1804 CB LYS A 114 8.729 -3.815 11.048 1.00 0.00 C ATOM 1805 CG LYS A 114 9.607 -4.509 10.052 1.00 0.00 C ATOM 1806 CD LYS A 114 11.083 -4.294 10.356 1.00 0.00 C ATOM 1807 CE LYS A 114 11.940 -4.452 9.110 1.00 0.00 C ATOM 1808 NZ LYS A 114 13.365 -4.105 9.369 1.00 0.00 N ATOM 0 H LYS A 114 7.430 -3.828 8.950 1.00 0.00 H new ATOM 0 HA LYS A 114 7.345 -2.186 11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 114 9.317 -3.556 11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.947 -4.499 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.387 -5.577 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.384 -4.140 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.228 -3.298 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.407 -5.007 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.876 -5.480 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.549 -3.814 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.916 -4.226 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.430 -3.116 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.746 -4.730 10.108 1.00 0.00 H new ATOM 1822 N HIS A 115 9.572 -1.280 9.042 1.00 0.00 N ATOM 1823 CA HIS A 115 10.577 -0.276 8.720 1.00 0.00 C ATOM 1824 C HIS A 115 9.917 1.064 8.402 1.00 0.00 C ATOM 1825 O HIS A 115 10.451 2.124 8.725 1.00 0.00 O ATOM 1826 CB HIS A 115 11.426 -0.736 7.538 1.00 0.00 C ATOM 1827 CG HIS A 115 12.704 0.030 7.385 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.748 1.401 7.239 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.992 -0.392 7.357 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.007 1.789 7.125 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.779 0.722 7.195 1.00 0.00 N ATOM 0 H HIS A 115 9.227 -1.803 8.237 1.00 0.00 H new ATOM 0 HA HIS A 115 11.222 -0.147 9.589 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.658 -1.794 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.842 -0.640 6.623 1.00 0.00 H new ATOM 0 HD1 HIS A 115 11.937 2.019 7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.335 -1.412 7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.345 2.807 6.996 1.00 0.00 H new ATOM 1840 N ALA A 116 8.752 1.002 7.764 1.00 0.00 N ATOM 1841 CA ALA A 116 8.009 2.202 7.393 1.00 0.00 C ATOM 1842 C ALA A 116 7.443 2.902 8.624 1.00 0.00 C ATOM 1843 O ALA A 116 7.669 4.093 8.834 1.00 0.00 O ATOM 1844 CB ALA A 116 6.889 1.851 6.428 1.00 0.00 C ATOM 0 H ALA A 116 8.300 0.129 7.492 1.00 0.00 H new ATOM 0 HA ALA A 116 8.700 2.887 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.343 2.755 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.311 1.402 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.209 1.144 6.902 1.00 0.00 H new ATOM 1850 N PHE A 117 6.703 2.152 9.435 1.00 0.00 N ATOM 1851 CA PHE A 117 6.098 2.699 10.645 1.00 0.00 C ATOM 1852 C PHE A 117 7.151 3.328 11.555 1.00 0.00 C ATOM 1853 O PHE A 117 6.843 4.206 12.361 1.00 0.00 O ATOM 1854 CB PHE A 117 5.342 1.602 11.401 1.00 0.00 C ATOM 1855 CG PHE A 117 3.970 1.329 10.853 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.977 2.296 10.918 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.670 0.106 10.274 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.714 2.047 10.417 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.408 -0.148 9.772 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.429 0.824 9.844 1.00 0.00 C ATOM 0 H PHE A 117 6.508 1.164 9.276 1.00 0.00 H new ATOM 0 HA PHE A 117 5.397 3.479 10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.926 0.682 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.255 1.889 12.449 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.194 3.255 11.366 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.432 -0.657 10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.950 2.809 10.474 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.187 -1.105 9.324 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.442 0.627 9.452 1.00 0.00 H new ATOM 1870 N GLU A 118 8.395 2.874 11.422 1.00 0.00 N ATOM 1871 CA GLU A 118 9.491 3.397 12.233 1.00 0.00 C ATOM 1872 C GLU A 118 9.704 4.888 11.986 1.00 0.00 C ATOM 1873 O GLU A 118 10.336 5.574 12.789 1.00 0.00 O ATOM 1874 CB GLU A 118 10.781 2.633 11.941 1.00 0.00 C ATOM 1875 CG GLU A 118 10.809 1.235 12.535 1.00 0.00 C ATOM 1876 CD GLU A 118 11.524 1.184 13.871 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.422 2.023 14.096 1.00 0.00 O ATOM 1878 OE2 GLU A 118 11.186 0.305 14.692 1.00 0.00 O ATOM 0 H GLU A 118 8.669 2.146 10.762 1.00 0.00 H new ATOM 0 HA GLU A 118 9.222 3.260 13.280 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.915 2.563 10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.626 3.201 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.787 0.877 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.301 0.557 11.837 1.00 0.00 H new