USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 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 24 CYS SG : rot -79:sc= -2.3 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 163:sc= -1.35! (180deg=-1.79) USER MOD Set 2.1: A 74 THR OG1 : rot -170:sc= -0.207 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -169:sc= -1.45 (180deg=-1.81) USER MOD Set 2.3: A 77 MET CE :methyl -151:sc= -2.98! (180deg=-2.41!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 25 GLN : amide:sc= -4.52 K(o=-4.5,f=-10!) USER MOD Single : A 31 SER OG : rot -37:sc= -0.0573! USER MOD Single : A 32 THR OG1 : rot -10:sc= 0.824! USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= -0.223 (180deg=-0.409) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.0307 (180deg=-0.181) USER MOD Single : A 42 SER OG : rot 140:sc= 0.95 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -149:sc= -0.864 USER MOD Single : A 48 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-2.3!) USER MOD Single : A 49 MET CE :methyl -120:sc= -3.36 (180deg=-5.16!) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.573 (180deg=-0.884) USER MOD Single : A 54 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-9.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -14.1! C(o=-14!,f=-18!) USER MOD Single : A 69 SER OG : rot -38:sc= 1.18 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 94:sc= 0.0323 USER MOD Single : A 91 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.8!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.4!) USER MOD Single : A 99 GLN : amide:sc= -0.0728 K(o=-0.073,f=0.43) USER MOD Single : A 100 ASN : amide:sc= -0.867 K(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -14.172 -10.264 5.640 1.00 0.00 N ATOM 2 CA GLY A 21 -13.269 -9.085 5.532 1.00 0.00 C ATOM 3 C GLY A 21 -14.031 -7.778 5.424 1.00 0.00 C ATOM 4 O GLY A 21 -14.843 -7.598 4.517 1.00 0.00 O ATOM 0 HA2 GLY A 21 -12.616 -9.050 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.628 -9.201 4.658 1.00 0.00 H new ATOM 8 N TYR A 22 -13.769 -6.865 6.354 1.00 0.00 N ATOM 9 CA TYR A 22 -14.435 -5.567 6.360 1.00 0.00 C ATOM 10 C TYR A 22 -13.746 -4.600 5.403 1.00 0.00 C ATOM 11 O TYR A 22 -12.567 -4.285 5.565 1.00 0.00 O ATOM 12 CB TYR A 22 -14.448 -4.982 7.772 1.00 0.00 C ATOM 13 CG TYR A 22 -13.068 -4.718 8.332 1.00 0.00 C ATOM 14 CD1 TYR A 22 -12.370 -5.710 9.008 1.00 0.00 C ATOM 15 CD2 TYR A 22 -12.464 -3.475 8.184 1.00 0.00 C ATOM 16 CE1 TYR A 22 -11.109 -5.472 9.522 1.00 0.00 C ATOM 17 CE2 TYR A 22 -11.203 -3.229 8.693 1.00 0.00 C ATOM 18 CZ TYR A 22 -10.530 -4.231 9.361 1.00 0.00 C ATOM 19 OH TYR A 22 -9.274 -3.990 9.870 1.00 0.00 O ATOM 0 H TYR A 22 -13.101 -7.000 7.113 1.00 0.00 H new ATOM 0 HA TYR A 22 -15.462 -5.712 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -15.012 -4.049 7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.975 -5.668 8.435 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.820 -6.684 9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.989 -2.688 7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.580 -6.254 10.047 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.747 -2.258 8.569 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.011 -3.067 9.670 1.00 0.00 H new ATOM 29 N GLU A 23 -14.488 -4.131 4.406 1.00 0.00 N ATOM 30 CA GLU A 23 -13.947 -3.199 3.425 1.00 0.00 C ATOM 31 C GLU A 23 -12.765 -3.816 2.683 1.00 0.00 C ATOM 32 O GLU A 23 -12.495 -5.010 2.814 1.00 0.00 O ATOM 33 CB GLU A 23 -13.519 -1.899 4.111 1.00 0.00 C ATOM 34 CG GLU A 23 -14.636 -1.226 4.890 1.00 0.00 C ATOM 35 CD GLU A 23 -14.191 0.061 5.555 1.00 0.00 C ATOM 36 OE1 GLU A 23 -14.296 1.128 4.912 1.00 0.00 O ATOM 37 OE2 GLU A 23 -13.736 0.004 6.716 1.00 0.00 O ATOM 0 H GLU A 23 -15.465 -4.381 4.256 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.728 -2.976 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.692 -2.111 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.145 -1.206 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.467 -1.014 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.009 -1.913 5.650 1.00 0.00 H new ATOM 44 N CYS A 24 -12.063 -2.998 1.908 1.00 0.00 N ATOM 45 CA CYS A 24 -10.913 -3.463 1.148 1.00 0.00 C ATOM 46 C CYS A 24 -9.686 -3.553 2.052 1.00 0.00 C ATOM 47 O CYS A 24 -9.427 -2.655 2.854 1.00 0.00 O ATOM 48 CB CYS A 24 -10.657 -2.525 -0.032 1.00 0.00 C ATOM 49 SG CYS A 24 -12.160 -2.064 -0.925 1.00 0.00 S ATOM 0 H CYS A 24 -12.272 -2.007 1.790 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.119 -4.460 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.168 -1.621 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.965 -3.005 -0.724 1.00 0.00 H new ATOM 0 HG CYS A 24 -12.507 -3.033 -1.719 1.00 0.00 H new ATOM 55 N GLN A 25 -8.935 -4.639 1.917 1.00 0.00 N ATOM 56 CA GLN A 25 -7.751 -4.863 2.737 1.00 0.00 C ATOM 57 C GLN A 25 -6.578 -5.342 1.889 1.00 0.00 C ATOM 58 O GLN A 25 -6.619 -6.427 1.311 1.00 0.00 O ATOM 59 CB GLN A 25 -8.052 -5.903 3.819 1.00 0.00 C ATOM 60 CG GLN A 25 -9.322 -5.625 4.608 1.00 0.00 C ATOM 61 CD GLN A 25 -9.169 -4.472 5.578 1.00 0.00 C ATOM 62 OE1 GLN A 25 -9.446 -3.322 5.242 1.00 0.00 O ATOM 63 NE2 GLN A 25 -8.723 -4.776 6.792 1.00 0.00 N ATOM 0 H GLN A 25 -9.126 -5.381 1.244 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.481 -3.915 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.134 -6.885 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.210 -5.948 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.134 -5.406 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.606 -6.522 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.505 -5.744 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.598 -4.041 7.488 1.00 0.00 H new ATOM 72 N LEU A 26 -5.535 -4.525 1.821 1.00 0.00 N ATOM 73 CA LEU A 26 -4.339 -4.875 1.051 1.00 0.00 C ATOM 74 C LEU A 26 -3.118 -4.953 1.960 1.00 0.00 C ATOM 75 O LEU A 26 -2.957 -4.132 2.863 1.00 0.00 O ATOM 76 CB LEU A 26 -4.101 -3.855 -0.066 1.00 0.00 C ATOM 77 CG LEU A 26 -3.143 -4.312 -1.170 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.492 -3.644 -2.490 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.703 -4.006 -0.789 1.00 0.00 C ATOM 0 H LEU A 26 -5.488 -3.618 2.286 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.500 -5.855 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.060 -3.605 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.710 -2.939 0.377 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.248 -5.390 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.801 -3.981 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.510 -3.909 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.416 -2.562 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.037 -4.338 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.586 -2.932 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.452 -4.528 0.134 1.00 0.00 H new ATOM 91 N ARG A 27 -2.253 -5.938 1.714 1.00 0.00 N ATOM 92 CA ARG A 27 -1.059 -6.119 2.527 1.00 0.00 C ATOM 93 C ARG A 27 0.118 -5.344 1.945 1.00 0.00 C ATOM 94 O ARG A 27 0.382 -5.405 0.747 1.00 0.00 O ATOM 95 CB ARG A 27 -0.709 -7.603 2.637 1.00 0.00 C ATOM 96 CG ARG A 27 -1.794 -8.437 3.298 1.00 0.00 C ATOM 97 CD ARG A 27 -1.401 -9.904 3.374 1.00 0.00 C ATOM 98 NE ARG A 27 -0.168 -10.103 4.132 1.00 0.00 N ATOM 99 CZ ARG A 27 0.483 -11.261 4.198 1.00 0.00 C ATOM 100 NH1 ARG A 27 0.022 -12.327 3.555 1.00 0.00 N ATOM 101 NH2 ARG A 27 1.599 -11.356 4.908 1.00 0.00 N ATOM 0 H ARG A 27 -2.360 -6.618 0.961 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.267 -5.731 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.517 -7.997 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.215 -7.709 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.985 -8.058 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.723 -8.337 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.207 -10.471 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.274 -10.298 2.366 1.00 0.00 H new ATOM 0 HE ARG A 27 0.216 -9.307 4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.836 -12.261 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.525 -13.212 3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.959 -10.541 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.098 -12.244 4.958 1.00 0.00 H new ATOM 115 N LEU A 28 0.825 -4.613 2.797 1.00 0.00 N ATOM 116 CA LEU A 28 1.967 -3.825 2.348 1.00 0.00 C ATOM 117 C LEU A 28 3.277 -4.338 2.924 1.00 0.00 C ATOM 118 O LEU A 28 3.505 -4.244 4.125 1.00 0.00 O ATOM 119 CB LEU A 28 1.795 -2.376 2.773 1.00 0.00 C ATOM 120 CG LEU A 28 0.691 -1.607 2.050 1.00 0.00 C ATOM 121 CD1 LEU A 28 0.984 -1.547 0.560 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.668 -2.243 2.306 1.00 0.00 C ATOM 0 H LEU A 28 0.630 -4.549 3.796 1.00 0.00 H new ATOM 0 HA LEU A 28 2.006 -3.910 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.590 -2.351 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.739 -1.855 2.617 1.00 0.00 H new ATOM 0 HG LEU A 28 0.665 -0.590 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.190 -0.996 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.936 -1.043 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.036 -2.559 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.439 -1.678 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.662 -3.271 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.878 -2.235 3.376 1.00 0.00 H new ATOM 134 N ARG A 29 4.142 -4.860 2.062 1.00 0.00 N ATOM 135 CA ARG A 29 5.445 -5.354 2.502 1.00 0.00 C ATOM 136 C ARG A 29 6.464 -4.224 2.411 1.00 0.00 C ATOM 137 O ARG A 29 6.964 -3.918 1.333 1.00 0.00 O ATOM 138 CB ARG A 29 5.887 -6.545 1.647 1.00 0.00 C ATOM 139 CG ARG A 29 7.267 -7.073 2.010 1.00 0.00 C ATOM 140 CD ARG A 29 7.266 -8.587 2.161 1.00 0.00 C ATOM 141 NE ARG A 29 6.812 -9.261 0.948 1.00 0.00 N ATOM 142 CZ ARG A 29 6.795 -10.584 0.799 1.00 0.00 C ATOM 143 NH1 ARG A 29 7.210 -11.375 1.782 1.00 0.00 N ATOM 144 NH2 ARG A 29 6.362 -11.118 -0.335 1.00 0.00 N ATOM 0 H ARG A 29 3.968 -4.953 1.061 1.00 0.00 H new ATOM 0 HA ARG A 29 5.371 -5.693 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.159 -7.349 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.884 -6.250 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.982 -6.784 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.599 -6.614 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.272 -8.927 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.621 -8.867 2.994 1.00 0.00 H new ATOM 0 HE ARG A 29 6.489 -8.685 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.544 -10.970 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.195 -12.388 1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.042 -10.515 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.349 -12.132 -0.449 1.00 0.00 H new ATOM 158 N LEU A 30 6.778 -3.608 3.546 1.00 0.00 N ATOM 159 CA LEU A 30 7.704 -2.477 3.557 1.00 0.00 C ATOM 160 C LEU A 30 9.116 -2.856 3.976 1.00 0.00 C ATOM 161 O LEU A 30 9.327 -3.852 4.667 1.00 0.00 O ATOM 162 CB LEU A 30 7.211 -1.385 4.499 1.00 0.00 C ATOM 163 CG LEU A 30 5.744 -1.464 4.930 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.455 -0.429 6.003 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.808 -1.270 3.751 1.00 0.00 C ATOM 0 H LEU A 30 6.411 -3.868 4.461 1.00 0.00 H new ATOM 0 HA LEU A 30 7.737 -2.121 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.831 -1.402 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.373 -0.421 4.018 1.00 0.00 H new ATOM 0 HG LEU A 30 5.569 -2.460 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.409 -0.496 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.091 -0.615 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.658 0.568 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.775 -1.332 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.984 -0.292 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.992 -2.047 3.009 1.00 0.00 H new ATOM 177 N SER A 31 10.074 -2.016 3.556 1.00 0.00 N ATOM 178 CA SER A 31 11.497 -2.190 3.869 1.00 0.00 C ATOM 179 C SER A 31 12.057 -3.486 3.292 1.00 0.00 C ATOM 180 O SER A 31 13.173 -3.517 2.776 1.00 0.00 O ATOM 181 CB SER A 31 11.724 -2.153 5.383 1.00 0.00 C ATOM 182 OG SER A 31 11.198 -3.307 6.014 1.00 0.00 O ATOM 0 H SER A 31 9.880 -1.192 2.986 1.00 0.00 H new ATOM 0 HA SER A 31 12.030 -1.361 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.791 -2.078 5.590 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.255 -1.262 5.801 1.00 0.00 H new ATOM 0 HG SER A 31 10.363 -3.569 5.573 1.00 0.00 H new ATOM 188 N THR A 32 11.265 -4.543 3.378 1.00 0.00 N ATOM 189 CA THR A 32 11.651 -5.861 2.891 1.00 0.00 C ATOM 190 C THR A 32 10.759 -6.955 3.482 1.00 0.00 C ATOM 191 O THR A 32 10.836 -8.109 3.060 1.00 0.00 O ATOM 192 CB THR A 32 13.119 -6.197 3.226 1.00 0.00 C ATOM 193 OG1 THR A 32 13.394 -7.564 2.898 1.00 0.00 O ATOM 194 CG2 THR A 32 13.410 -5.955 4.699 1.00 0.00 C ATOM 0 H THR A 32 10.332 -4.512 3.789 1.00 0.00 H new ATOM 0 HA THR A 32 11.531 -5.828 1.808 1.00 0.00 H new ATOM 0 HB THR A 32 13.762 -5.544 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.555 -8.026 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.451 -6.199 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.228 -4.907 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.760 -6.585 5.307 1.00 0.00 H new ATOM 202 N GLY A 33 9.911 -6.602 4.458 1.00 0.00 N ATOM 203 CA GLY A 33 9.049 -7.596 5.061 1.00 0.00 C ATOM 204 C GLY A 33 8.152 -7.003 6.120 1.00 0.00 C ATOM 205 O GLY A 33 7.809 -7.666 7.099 1.00 0.00 O ATOM 0 H GLY A 33 9.813 -5.658 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.438 -8.062 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.659 -8.384 5.503 1.00 0.00 H new ATOM 209 N LYS A 34 7.772 -5.747 5.926 1.00 0.00 N ATOM 210 CA LYS A 34 6.909 -5.062 6.872 1.00 0.00 C ATOM 211 C LYS A 34 5.470 -5.120 6.379 1.00 0.00 C ATOM 212 O LYS A 34 4.887 -4.113 5.990 1.00 0.00 O ATOM 213 CB LYS A 34 7.397 -3.621 7.036 1.00 0.00 C ATOM 214 CG LYS A 34 6.466 -2.710 7.813 1.00 0.00 C ATOM 215 CD LYS A 34 5.995 -3.340 9.111 1.00 0.00 C ATOM 216 CE LYS A 34 4.564 -3.832 8.983 1.00 0.00 C ATOM 217 NZ LYS A 34 3.845 -3.798 10.288 1.00 0.00 N ATOM 0 H LYS A 34 8.049 -5.184 5.122 1.00 0.00 H new ATOM 0 HA LYS A 34 6.945 -5.547 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.365 -3.637 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.556 -3.193 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.977 -1.772 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.602 -2.466 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.648 -4.172 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.063 -2.612 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.032 -3.215 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.564 -4.851 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.292 -4.671 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.535 -3.721 11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.206 -2.978 10.311 1.00 0.00 H new ATOM 231 N ASP A 35 4.903 -6.319 6.415 1.00 0.00 N ATOM 232 CA ASP A 35 3.552 -6.555 5.953 1.00 0.00 C ATOM 233 C ASP A 35 2.528 -6.080 6.958 1.00 0.00 C ATOM 234 O ASP A 35 2.417 -6.597 8.070 1.00 0.00 O ATOM 235 CB ASP A 35 3.342 -8.038 5.660 1.00 0.00 C ATOM 236 CG ASP A 35 3.657 -8.915 6.856 1.00 0.00 C ATOM 237 OD1 ASP A 35 4.824 -9.338 6.991 1.00 0.00 O ATOM 238 OD2 ASP A 35 2.737 -9.179 7.658 1.00 0.00 O ATOM 0 H ASP A 35 5.373 -7.153 6.767 1.00 0.00 H new ATOM 0 HA ASP A 35 3.415 -5.983 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.309 -8.202 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.973 -8.332 4.821 1.00 0.00 H new ATOM 243 N LEU A 36 1.791 -5.086 6.533 1.00 0.00 N ATOM 244 CA LEU A 36 0.729 -4.499 7.322 1.00 0.00 C ATOM 245 C LEU A 36 -0.459 -4.271 6.414 1.00 0.00 C ATOM 246 O LEU A 36 -0.386 -3.487 5.466 1.00 0.00 O ATOM 247 CB LEU A 36 1.169 -3.183 7.963 1.00 0.00 C ATOM 248 CG LEU A 36 0.132 -2.549 8.891 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.210 -3.493 10.034 1.00 0.00 C ATOM 250 CD2 LEU A 36 0.637 -1.221 9.431 1.00 0.00 C ATOM 0 H LEU A 36 1.910 -4.653 5.617 1.00 0.00 H new ATOM 0 HA LEU A 36 0.465 -5.177 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.085 -3.358 8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.413 -2.473 7.173 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.774 -2.363 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.949 -3.025 10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.617 -4.420 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.691 -3.711 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.115 -0.786 10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.559 -1.382 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.830 -0.541 8.602 1.00 0.00 H new ATOM 262 N LYS A 37 -1.540 -4.978 6.680 1.00 0.00 N ATOM 263 CA LYS A 37 -2.723 -4.859 5.858 1.00 0.00 C ATOM 264 C LYS A 37 -3.543 -3.632 6.251 1.00 0.00 C ATOM 265 O LYS A 37 -4.165 -3.590 7.312 1.00 0.00 O ATOM 266 CB LYS A 37 -3.543 -6.152 5.930 1.00 0.00 C ATOM 267 CG LYS A 37 -4.751 -6.101 6.856 1.00 0.00 C ATOM 268 CD LYS A 37 -5.524 -7.410 6.837 1.00 0.00 C ATOM 269 CE LYS A 37 -4.647 -8.583 7.250 1.00 0.00 C ATOM 270 NZ LYS A 37 -4.078 -8.399 8.613 1.00 0.00 N ATOM 0 H LYS A 37 -1.621 -5.637 7.455 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.422 -4.713 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.885 -6.403 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.889 -6.961 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.422 -5.886 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.408 -5.285 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.378 -7.339 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.920 -7.585 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.233 -9.502 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.836 -8.701 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.630 -9.284 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.368 -7.640 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.838 -8.144 9.275 1.00 0.00 H new ATOM 284 N LEU A 38 -3.514 -2.625 5.385 1.00 0.00 N ATOM 285 CA LEU A 38 -4.243 -1.388 5.620 1.00 0.00 C ATOM 286 C LEU A 38 -5.617 -1.442 4.961 1.00 0.00 C ATOM 287 O LEU A 38 -5.815 -2.136 3.957 1.00 0.00 O ATOM 288 CB LEU A 38 -3.443 -0.191 5.083 1.00 0.00 C ATOM 289 CG LEU A 38 -4.261 1.071 4.790 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.649 1.772 6.083 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.477 2.010 3.890 1.00 0.00 C ATOM 0 H LEU A 38 -2.990 -2.644 4.510 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.380 -1.267 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.668 0.060 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.937 -0.496 4.167 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.175 0.777 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.229 2.666 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.248 1.099 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.748 2.055 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.070 2.902 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.548 2.295 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.250 1.507 2.950 1.00 0.00 H new ATOM 303 N VAL A 39 -6.561 -0.706 5.539 1.00 0.00 N ATOM 304 CA VAL A 39 -7.916 -0.644 5.016 1.00 0.00 C ATOM 305 C VAL A 39 -7.997 0.348 3.866 1.00 0.00 C ATOM 306 O VAL A 39 -7.302 1.363 3.857 1.00 0.00 O ATOM 307 CB VAL A 39 -8.923 -0.236 6.108 1.00 0.00 C ATOM 308 CG1 VAL A 39 -10.347 -0.305 5.576 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.763 -1.115 7.339 1.00 0.00 C ATOM 0 H VAL A 39 -6.408 -0.142 6.375 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.173 -1.642 4.660 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.718 0.795 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.044 -0.013 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.452 0.372 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.567 -1.324 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.483 -0.811 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.939 -2.156 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.752 -1.008 7.733 1.00 0.00 H new ATOM 319 N VAL A 40 -8.851 0.049 2.899 1.00 0.00 N ATOM 320 CA VAL A 40 -9.023 0.905 1.737 1.00 0.00 C ATOM 321 C VAL A 40 -10.423 0.732 1.159 1.00 0.00 C ATOM 322 O VAL A 40 -11.145 -0.197 1.527 1.00 0.00 O ATOM 323 CB VAL A 40 -7.956 0.603 0.663 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.617 1.201 1.065 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.817 -0.895 0.435 1.00 0.00 C ATOM 0 H VAL A 40 -9.438 -0.785 2.897 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.898 1.940 2.054 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.280 1.060 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.875 0.980 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.718 2.281 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.297 0.771 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.059 -1.078 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.521 -1.379 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.772 -1.302 0.102 1.00 0.00 H new ATOM 335 N ARG A 41 -10.800 1.610 0.236 1.00 0.00 N ATOM 336 CA ARG A 41 -12.123 1.550 -0.361 1.00 0.00 C ATOM 337 C ARG A 41 -12.159 2.253 -1.713 1.00 0.00 C ATOM 338 O ARG A 41 -12.319 3.467 -1.780 1.00 0.00 O ATOM 339 CB ARG A 41 -13.147 2.176 0.588 1.00 0.00 C ATOM 340 CG ARG A 41 -14.576 1.702 0.358 1.00 0.00 C ATOM 341 CD ARG A 41 -15.086 2.086 -1.023 1.00 0.00 C ATOM 342 NE ARG A 41 -16.506 1.776 -1.181 1.00 0.00 N ATOM 343 CZ ARG A 41 -17.169 1.890 -2.330 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.545 2.303 -3.426 1.00 0.00 N ATOM 345 NH2 ARG A 41 -18.459 1.589 -2.383 1.00 0.00 N ATOM 0 H ARG A 41 -10.210 2.366 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.373 0.502 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.861 1.950 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.113 3.260 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.622 0.619 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.228 2.132 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.926 3.152 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.511 1.557 -1.783 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.020 1.453 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.552 2.535 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.058 2.388 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.943 1.270 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.967 1.676 -3.263 1.00 0.00 H new ATOM 359 N SER A 42 -11.996 1.462 -2.776 1.00 0.00 N ATOM 360 CA SER A 42 -12.016 1.927 -4.174 1.00 0.00 C ATOM 361 C SER A 42 -11.275 3.250 -4.415 1.00 0.00 C ATOM 362 O SER A 42 -10.477 3.351 -5.348 1.00 0.00 O ATOM 363 CB SER A 42 -13.460 2.068 -4.653 1.00 0.00 C ATOM 364 OG SER A 42 -14.137 3.085 -3.936 1.00 0.00 O ATOM 0 H SER A 42 -11.843 0.457 -2.692 1.00 0.00 H new ATOM 0 HA SER A 42 -11.481 1.167 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.472 2.300 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.983 1.120 -4.527 1.00 0.00 H new ATOM 0 HG SER A 42 -14.706 3.595 -4.550 1.00 0.00 H new ATOM 370 N THR A 43 -11.530 4.257 -3.591 1.00 0.00 N ATOM 371 CA THR A 43 -10.865 5.543 -3.731 1.00 0.00 C ATOM 372 C THR A 43 -9.626 5.611 -2.847 1.00 0.00 C ATOM 373 O THR A 43 -8.853 6.566 -2.921 1.00 0.00 O ATOM 374 CB THR A 43 -11.806 6.706 -3.369 1.00 0.00 C ATOM 375 OG1 THR A 43 -12.248 6.575 -2.012 1.00 0.00 O ATOM 376 CG2 THR A 43 -13.010 6.738 -4.298 1.00 0.00 C ATOM 0 H THR A 43 -12.194 4.207 -2.818 1.00 0.00 H new ATOM 0 HA THR A 43 -10.572 5.639 -4.777 1.00 0.00 H new ATOM 0 HB THR A 43 -11.254 7.639 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.845 7.320 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.660 7.568 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.673 6.867 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.561 5.802 -4.212 1.00 0.00 H new ATOM 384 N ASP A 44 -9.441 4.593 -2.008 1.00 0.00 N ATOM 385 CA ASP A 44 -8.292 4.547 -1.115 1.00 0.00 C ATOM 386 C ASP A 44 -7.160 3.716 -1.722 1.00 0.00 C ATOM 387 O ASP A 44 -6.353 3.129 -1.000 1.00 0.00 O ATOM 388 CB ASP A 44 -8.698 3.973 0.243 1.00 0.00 C ATOM 389 CG ASP A 44 -8.141 4.776 1.401 1.00 0.00 C ATOM 390 OD1 ASP A 44 -8.823 5.720 1.851 1.00 0.00 O ATOM 391 OD2 ASP A 44 -7.022 4.461 1.857 1.00 0.00 O ATOM 0 H ASP A 44 -10.070 3.794 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.931 5.566 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.785 3.947 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.349 2.943 0.318 1.00 0.00 H new ATOM 396 N THR A 45 -7.106 3.671 -3.054 1.00 0.00 N ATOM 397 CA THR A 45 -6.072 2.920 -3.768 1.00 0.00 C ATOM 398 C THR A 45 -4.681 3.236 -3.227 1.00 0.00 C ATOM 399 O THR A 45 -4.530 4.109 -2.382 1.00 0.00 O ATOM 400 CB THR A 45 -6.099 3.236 -5.273 1.00 0.00 C ATOM 401 OG1 THR A 45 -5.982 4.647 -5.478 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.386 2.730 -5.903 1.00 0.00 C ATOM 0 H THR A 45 -7.770 4.149 -3.663 1.00 0.00 H new ATOM 0 HA THR A 45 -6.287 1.863 -3.612 1.00 0.00 H new ATOM 0 HB THR A 45 -5.257 2.732 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.466 4.901 -6.291 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.386 2.963 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.457 1.651 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.239 3.213 -5.426 1.00 0.00 H new ATOM 410 N VAL A 46 -3.678 2.528 -3.735 1.00 0.00 N ATOM 411 CA VAL A 46 -2.280 2.702 -3.325 1.00 0.00 C ATOM 412 C VAL A 46 -1.932 4.147 -2.920 1.00 0.00 C ATOM 413 O VAL A 46 -1.059 4.361 -2.081 1.00 0.00 O ATOM 414 CB VAL A 46 -1.331 2.209 -4.445 1.00 0.00 C ATOM 415 CG1 VAL A 46 0.001 2.947 -4.429 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.113 0.706 -4.314 1.00 0.00 C ATOM 0 H VAL A 46 -3.808 1.811 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.142 2.096 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.804 2.423 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.636 2.570 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.172 4.013 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.494 2.787 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.445 0.365 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.669 0.486 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.070 0.191 -4.400 1.00 0.00 H new ATOM 426 N PHE A 47 -2.615 5.130 -3.502 1.00 0.00 N ATOM 427 CA PHE A 47 -2.359 6.534 -3.175 1.00 0.00 C ATOM 428 C PHE A 47 -2.752 6.804 -1.737 1.00 0.00 C ATOM 429 O PHE A 47 -1.980 7.368 -0.961 1.00 0.00 O ATOM 430 CB PHE A 47 -3.133 7.457 -4.114 1.00 0.00 C ATOM 431 CG PHE A 47 -2.840 8.915 -3.901 1.00 0.00 C ATOM 432 CD1 PHE A 47 -1.739 9.508 -4.497 1.00 0.00 C ATOM 433 CD2 PHE A 47 -3.668 9.691 -3.106 1.00 0.00 C ATOM 434 CE1 PHE A 47 -1.467 10.849 -4.302 1.00 0.00 C ATOM 435 CE2 PHE A 47 -3.401 11.033 -2.909 1.00 0.00 C ATOM 436 CZ PHE A 47 -2.300 11.612 -3.507 1.00 0.00 C ATOM 0 H PHE A 47 -3.346 4.984 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.295 6.733 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.896 7.194 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.201 7.286 -3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.086 8.916 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.531 9.243 -2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.605 11.300 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.054 11.628 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.090 12.660 -3.354 1.00 0.00 H new ATOM 446 N HIS A 48 -3.968 6.422 -1.389 1.00 0.00 N ATOM 447 CA HIS A 48 -4.430 6.573 -0.027 1.00 0.00 C ATOM 448 C HIS A 48 -3.841 5.438 0.784 1.00 0.00 C ATOM 449 O HIS A 48 -3.440 5.611 1.933 1.00 0.00 O ATOM 450 CB HIS A 48 -5.945 6.539 0.040 1.00 0.00 C ATOM 451 CG HIS A 48 -6.605 7.608 -0.774 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.400 8.593 -0.225 1.00 0.00 N ATOM 453 CD2 HIS A 48 -6.584 7.846 -2.107 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.842 9.386 -1.184 1.00 0.00 C ATOM 455 NE2 HIS A 48 -7.361 8.955 -2.335 1.00 0.00 N ATOM 0 H HIS A 48 -4.647 6.008 -2.028 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.111 7.536 0.371 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.294 5.565 -0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.257 6.641 1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.055 7.271 -2.852 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.487 10.242 -1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.538 9.377 -3.246 1.00 0.00 H new ATOM 464 N MET A 49 -3.799 4.260 0.167 1.00 0.00 N ATOM 465 CA MET A 49 -3.210 3.094 0.792 1.00 0.00 C ATOM 466 C MET A 49 -1.850 3.473 1.365 1.00 0.00 C ATOM 467 O MET A 49 -1.510 3.140 2.499 1.00 0.00 O ATOM 468 CB MET A 49 -3.050 1.967 -0.225 1.00 0.00 C ATOM 469 CG MET A 49 -3.145 0.581 0.383 1.00 0.00 C ATOM 470 SD MET A 49 -3.019 -0.722 -0.855 1.00 0.00 S ATOM 471 CE MET A 49 -4.429 -0.341 -1.892 1.00 0.00 C ATOM 0 H MET A 49 -4.169 4.094 -0.769 1.00 0.00 H new ATOM 0 HA MET A 49 -3.864 2.745 1.591 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.816 2.071 -0.993 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.085 2.071 -0.721 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.352 0.456 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.092 0.484 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.113 -1.190 -1.902 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.944 0.535 -1.498 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.089 -0.136 -2.907 1.00 0.00 H new ATOM 481 N LYS A 50 -1.084 4.199 0.557 1.00 0.00 N ATOM 482 CA LYS A 50 0.228 4.669 0.959 1.00 0.00 C ATOM 483 C LYS A 50 0.053 5.840 1.918 1.00 0.00 C ATOM 484 O LYS A 50 0.875 6.063 2.807 1.00 0.00 O ATOM 485 CB LYS A 50 1.062 5.082 -0.259 1.00 0.00 C ATOM 486 CG LYS A 50 0.607 6.376 -0.914 1.00 0.00 C ATOM 487 CD LYS A 50 1.533 6.786 -2.047 1.00 0.00 C ATOM 488 CE LYS A 50 1.125 8.126 -2.639 1.00 0.00 C ATOM 489 NZ LYS A 50 1.995 8.519 -3.780 1.00 0.00 N ATOM 0 H LYS A 50 -1.356 4.474 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 50 0.765 3.863 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.103 5.189 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.027 4.282 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.406 6.254 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.571 7.169 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.557 6.846 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.518 6.023 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.089 8.074 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.172 8.893 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.845 9.524 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.992 8.366 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.758 7.942 -4.612 1.00 0.00 H new ATOM 503 N ARG A 51 -1.037 6.591 1.724 1.00 0.00 N ATOM 504 CA ARG A 51 -1.352 7.720 2.588 1.00 0.00 C ATOM 505 C ARG A 51 -1.443 7.237 4.031 1.00 0.00 C ATOM 506 O ARG A 51 -0.629 7.602 4.888 1.00 0.00 O ATOM 507 CB ARG A 51 -2.673 8.375 2.172 1.00 0.00 C ATOM 508 CG ARG A 51 -3.024 9.605 2.993 1.00 0.00 C ATOM 509 CD ARG A 51 -4.393 10.152 2.619 1.00 0.00 C ATOM 510 NE ARG A 51 -4.785 11.276 3.468 1.00 0.00 N ATOM 511 CZ ARG A 51 -6.039 11.704 3.599 1.00 0.00 C ATOM 512 NH1 ARG A 51 -7.024 11.109 2.938 1.00 0.00 N ATOM 513 NH2 ARG A 51 -6.308 12.732 4.393 1.00 0.00 N ATOM 0 H ARG A 51 -1.711 6.433 0.975 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.561 8.465 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.616 8.654 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.477 7.645 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.009 9.353 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.268 10.375 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.383 10.471 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.136 9.358 2.703 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.055 11.761 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.823 10.319 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.982 11.442 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.555 13.194 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.268 13.061 4.494 1.00 0.00 H new ATOM 527 N ARG A 52 -2.440 6.398 4.289 1.00 0.00 N ATOM 528 CA ARG A 52 -2.629 5.833 5.610 1.00 0.00 C ATOM 529 C ARG A 52 -1.402 5.024 6.003 1.00 0.00 C ATOM 530 O ARG A 52 -1.109 4.867 7.188 1.00 0.00 O ATOM 531 CB ARG A 52 -3.883 4.960 5.657 1.00 0.00 C ATOM 532 CG ARG A 52 -5.176 5.752 5.551 1.00 0.00 C ATOM 533 CD ARG A 52 -6.391 4.878 5.814 1.00 0.00 C ATOM 534 NE ARG A 52 -7.630 5.652 5.821 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.760 5.240 6.392 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.813 4.063 7.003 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.840 6.009 6.354 1.00 0.00 N ATOM 0 H ARG A 52 -3.127 6.097 3.598 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.762 6.648 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.842 4.235 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.888 4.394 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.158 6.576 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.253 6.193 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.452 4.103 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.274 4.373 6.773 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.629 6.562 5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.985 3.468 7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.682 3.753 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.805 6.915 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.706 5.694 6.791 1.00 0.00 H new ATOM 551 N LEU A 53 -0.680 4.500 5.005 1.00 0.00 N ATOM 552 CA LEU A 53 0.531 3.738 5.285 1.00 0.00 C ATOM 553 C LEU A 53 1.453 4.559 6.176 1.00 0.00 C ATOM 554 O LEU A 53 1.890 4.092 7.225 1.00 0.00 O ATOM 555 CB LEU A 53 1.238 3.349 3.988 1.00 0.00 C ATOM 556 CG LEU A 53 1.323 1.844 3.721 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.270 1.178 4.705 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.060 1.209 3.796 1.00 0.00 C ATOM 0 H LEU A 53 -0.912 4.590 4.016 1.00 0.00 H new ATOM 0 HA LEU A 53 0.260 2.819 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.719 3.822 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.249 3.757 4.007 1.00 0.00 H new ATOM 0 HG LEU A 53 1.716 1.696 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.316 0.109 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.265 1.611 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.909 1.336 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.020 0.139 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.480 1.369 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.710 1.664 3.049 1.00 0.00 H new ATOM 570 N HIS A 54 1.749 5.787 5.752 1.00 0.00 N ATOM 571 CA HIS A 54 2.576 6.678 6.549 1.00 0.00 C ATOM 572 C HIS A 54 1.910 6.907 7.899 1.00 0.00 C ATOM 573 O HIS A 54 2.571 6.947 8.937 1.00 0.00 O ATOM 574 CB HIS A 54 2.770 8.019 5.834 1.00 0.00 C ATOM 575 CG HIS A 54 3.406 9.070 6.693 1.00 0.00 C ATOM 576 ND1 HIS A 54 4.770 9.232 6.801 1.00 0.00 N ATOM 577 CD2 HIS A 54 2.853 10.010 7.497 1.00 0.00 C ATOM 578 CE1 HIS A 54 5.030 10.223 7.636 1.00 0.00 C ATOM 579 NE2 HIS A 54 3.884 10.713 8.071 1.00 0.00 N ATOM 0 H HIS A 54 1.429 6.181 4.867 1.00 0.00 H new ATOM 0 HA HIS A 54 3.554 6.219 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.386 7.863 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.801 8.381 5.489 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.798 10.176 7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.013 10.573 7.915 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.781 11.488 8.727 1.00 0.00 H new ATOM 588 N ALA A 55 0.588 7.058 7.867 1.00 0.00 N ATOM 589 CA ALA A 55 -0.185 7.279 9.083 1.00 0.00 C ATOM 590 C ALA A 55 0.027 6.157 10.100 1.00 0.00 C ATOM 591 O ALA A 55 0.193 6.417 11.292 1.00 0.00 O ATOM 592 CB ALA A 55 -1.663 7.419 8.751 1.00 0.00 C ATOM 0 H ALA A 55 0.032 7.031 7.012 1.00 0.00 H new ATOM 0 HA ALA A 55 0.168 8.206 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.228 7.584 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.807 8.266 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.015 6.508 8.267 1.00 0.00 H new ATOM 598 N ALA A 56 0.022 4.910 9.629 1.00 0.00 N ATOM 599 CA ALA A 56 0.205 3.764 10.513 1.00 0.00 C ATOM 600 C ALA A 56 1.681 3.418 10.700 1.00 0.00 C ATOM 601 O ALA A 56 2.124 3.129 11.812 1.00 0.00 O ATOM 602 CB ALA A 56 -0.552 2.560 9.972 1.00 0.00 C ATOM 0 H ALA A 56 -0.106 4.671 8.646 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.195 4.034 11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.409 1.710 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.614 2.796 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.176 2.310 8.980 1.00 0.00 H new ATOM 608 N GLU A 57 2.437 3.449 9.608 1.00 0.00 N ATOM 609 CA GLU A 57 3.861 3.124 9.650 1.00 0.00 C ATOM 610 C GLU A 57 4.708 4.364 9.915 1.00 0.00 C ATOM 611 O GLU A 57 5.355 4.479 10.955 1.00 0.00 O ATOM 612 CB GLU A 57 4.295 2.488 8.329 1.00 0.00 C ATOM 613 CG GLU A 57 3.311 1.461 7.800 1.00 0.00 C ATOM 614 CD GLU A 57 3.100 0.313 8.767 1.00 0.00 C ATOM 615 OE1 GLU A 57 2.651 0.571 9.903 1.00 0.00 O ATOM 616 OE2 GLU A 57 3.382 -0.843 8.387 1.00 0.00 O ATOM 0 H GLU A 57 2.089 3.696 8.682 1.00 0.00 H new ATOM 0 HA GLU A 57 4.015 2.419 10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.426 3.272 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.266 2.012 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.355 1.946 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.674 1.070 6.849 1.00 0.00 H new ATOM 623 N GLY A 58 4.696 5.285 8.960 1.00 0.00 N ATOM 624 CA GLY A 58 5.474 6.503 9.085 1.00 0.00 C ATOM 625 C GLY A 58 6.176 6.876 7.790 1.00 0.00 C ATOM 626 O GLY A 58 6.778 7.945 7.691 1.00 0.00 O ATOM 0 H GLY A 58 4.158 5.210 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.819 7.320 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.215 6.378 9.874 1.00 0.00 H new ATOM 630 N VAL A 59 6.109 5.988 6.799 1.00 0.00 N ATOM 631 CA VAL A 59 6.732 6.223 5.509 1.00 0.00 C ATOM 632 C VAL A 59 5.767 6.931 4.551 1.00 0.00 C ATOM 633 O VAL A 59 4.729 6.383 4.185 1.00 0.00 O ATOM 634 CB VAL A 59 7.199 4.885 4.902 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.897 5.096 3.576 1.00 0.00 C ATOM 636 CG2 VAL A 59 8.122 4.171 5.869 1.00 0.00 C ATOM 0 H VAL A 59 5.624 5.094 6.872 1.00 0.00 H new ATOM 0 HA VAL A 59 7.595 6.872 5.658 1.00 0.00 H new ATOM 0 HB VAL A 59 6.318 4.269 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.214 4.133 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.211 5.573 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.769 5.733 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.447 3.227 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.992 4.796 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.592 3.976 6.801 1.00 0.00 H new ATOM 646 N GLU A 60 6.118 8.159 4.167 1.00 0.00 N ATOM 647 CA GLU A 60 5.297 8.966 3.260 1.00 0.00 C ATOM 648 C GLU A 60 5.471 8.541 1.800 1.00 0.00 C ATOM 649 O GLU A 60 6.372 7.770 1.474 1.00 0.00 O ATOM 650 CB GLU A 60 5.658 10.449 3.404 1.00 0.00 C ATOM 651 CG GLU A 60 4.691 11.235 4.275 1.00 0.00 C ATOM 652 CD GLU A 60 4.930 12.731 4.210 1.00 0.00 C ATOM 653 OE1 GLU A 60 4.330 13.389 3.334 1.00 0.00 O ATOM 654 OE2 GLU A 60 5.715 13.242 5.035 1.00 0.00 O ATOM 0 H GLU A 60 6.974 8.621 4.473 1.00 0.00 H new ATOM 0 HA GLU A 60 4.255 8.807 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.660 10.530 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.691 10.903 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.669 11.020 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.785 10.901 5.308 1.00 0.00 H new ATOM 661 N PRO A 61 4.601 9.048 0.900 1.00 0.00 N ATOM 662 CA PRO A 61 4.641 8.739 -0.531 1.00 0.00 C ATOM 663 C PRO A 61 6.059 8.649 -1.088 1.00 0.00 C ATOM 664 O PRO A 61 6.417 7.671 -1.745 1.00 0.00 O ATOM 665 CB PRO A 61 3.889 9.915 -1.180 1.00 0.00 C ATOM 666 CG PRO A 61 3.398 10.779 -0.056 1.00 0.00 C ATOM 667 CD PRO A 61 3.493 9.959 1.199 1.00 0.00 C ATOM 0 HA PRO A 61 4.201 7.763 -0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.547 10.477 -1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.057 9.556 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.001 11.683 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.370 11.096 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.700 10.577 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.568 9.420 1.402 1.00 0.00 H new ATOM 675 N GLY A 62 6.862 9.673 -0.824 1.00 0.00 N ATOM 676 CA GLY A 62 8.227 9.694 -1.319 1.00 0.00 C ATOM 677 C GLY A 62 9.145 8.724 -0.598 1.00 0.00 C ATOM 678 O GLY A 62 10.263 8.476 -1.049 1.00 0.00 O ATOM 0 H GLY A 62 6.593 10.490 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.223 9.457 -2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.626 10.703 -1.219 1.00 0.00 H new ATOM 682 N SER A 63 8.684 8.170 0.520 1.00 0.00 N ATOM 683 CA SER A 63 9.490 7.234 1.287 1.00 0.00 C ATOM 684 C SER A 63 9.063 5.805 1.000 1.00 0.00 C ATOM 685 O SER A 63 9.895 4.909 0.914 1.00 0.00 O ATOM 686 CB SER A 63 9.393 7.544 2.786 1.00 0.00 C ATOM 687 OG SER A 63 9.777 8.881 3.054 1.00 0.00 O ATOM 0 H SER A 63 7.760 8.354 0.911 1.00 0.00 H new ATOM 0 HA SER A 63 10.531 7.344 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.372 7.379 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.032 6.860 3.345 1.00 0.00 H new ATOM 0 HG SER A 63 9.705 9.055 4.016 1.00 0.00 H new ATOM 693 N GLN A 64 7.764 5.593 0.828 1.00 0.00 N ATOM 694 CA GLN A 64 7.257 4.256 0.555 1.00 0.00 C ATOM 695 C GLN A 64 7.041 4.035 -0.935 1.00 0.00 C ATOM 696 O GLN A 64 5.933 4.197 -1.443 1.00 0.00 O ATOM 697 CB GLN A 64 5.953 3.967 1.315 1.00 0.00 C ATOM 698 CG GLN A 64 5.228 5.188 1.860 1.00 0.00 C ATOM 699 CD GLN A 64 4.459 5.941 0.796 1.00 0.00 C ATOM 700 OE1 GLN A 64 4.815 5.917 -0.378 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.398 6.624 1.211 1.00 0.00 N ATOM 0 H GLN A 64 7.051 6.321 0.872 1.00 0.00 H new ATOM 0 HA GLN A 64 8.019 3.561 0.908 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.276 3.431 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.178 3.299 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.540 4.875 2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.953 5.859 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.140 6.615 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.842 7.158 0.543 1.00 0.00 H new ATOM 710 N ARG A 65 8.099 3.649 -1.637 1.00 0.00 N ATOM 711 CA ARG A 65 7.988 3.393 -3.062 1.00 0.00 C ATOM 712 C ARG A 65 7.158 2.135 -3.274 1.00 0.00 C ATOM 713 O ARG A 65 7.600 1.030 -2.967 1.00 0.00 O ATOM 714 CB ARG A 65 9.369 3.240 -3.697 1.00 0.00 C ATOM 715 CG ARG A 65 10.267 4.451 -3.499 1.00 0.00 C ATOM 716 CD ARG A 65 11.621 4.252 -4.162 1.00 0.00 C ATOM 717 NE ARG A 65 12.484 5.421 -4.007 1.00 0.00 N ATOM 718 CZ ARG A 65 13.761 5.455 -4.384 1.00 0.00 C ATOM 719 NH1 ARG A 65 14.326 4.389 -4.938 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.475 6.559 -4.207 1.00 0.00 N ATOM 0 H ARG A 65 9.031 3.509 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 65 7.497 4.239 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.859 2.362 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.250 3.057 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.784 5.336 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.405 4.633 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.111 3.380 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.478 4.045 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 65 12.085 6.260 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.782 3.538 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.304 4.421 -5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.046 7.381 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.453 6.586 -4.496 1.00 0.00 H new ATOM 734 N TRP A 66 5.949 2.327 -3.796 1.00 0.00 N ATOM 735 CA TRP A 66 5.011 1.226 -4.028 1.00 0.00 C ATOM 736 C TRP A 66 5.477 0.306 -5.150 1.00 0.00 C ATOM 737 O TRP A 66 5.756 0.756 -6.261 1.00 0.00 O ATOM 738 CB TRP A 66 3.608 1.765 -4.353 1.00 0.00 C ATOM 739 CG TRP A 66 3.565 3.238 -4.649 1.00 0.00 C ATOM 740 CD1 TRP A 66 3.122 4.226 -3.818 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.989 3.887 -5.854 1.00 0.00 C ATOM 742 NE1 TRP A 66 3.244 5.449 -4.432 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.772 5.267 -5.682 1.00 0.00 C ATOM 744 CE3 TRP A 66 4.531 3.437 -7.062 1.00 0.00 C ATOM 745 CZ2 TRP A 66 4.078 6.198 -6.672 1.00 0.00 C ATOM 746 CZ3 TRP A 66 4.834 4.362 -8.043 1.00 0.00 C ATOM 747 CH2 TRP A 66 4.607 5.729 -7.843 1.00 0.00 C ATOM 0 H TRP A 66 5.592 3.242 -4.069 1.00 0.00 H new ATOM 0 HA TRP A 66 4.972 0.644 -3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.213 1.222 -5.212 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.947 1.556 -3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.732 4.069 -2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.984 6.346 -4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.710 2.385 -7.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.904 7.253 -6.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 5.253 4.025 -8.980 1.00 0.00 H new ATOM 0 HH2 TRP A 66 4.855 6.427 -8.629 1.00 0.00 H new ATOM 758 N PHE A 67 5.519 -0.993 -4.861 1.00 0.00 N ATOM 759 CA PHE A 67 5.962 -1.979 -5.842 1.00 0.00 C ATOM 760 C PHE A 67 5.295 -3.333 -5.613 1.00 0.00 C ATOM 761 O PHE A 67 5.243 -3.828 -4.491 1.00 0.00 O ATOM 762 CB PHE A 67 7.480 -2.146 -5.785 1.00 0.00 C ATOM 763 CG PHE A 67 8.242 -0.950 -6.281 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.201 -0.593 -7.620 1.00 0.00 C ATOM 765 CD2 PHE A 67 9.003 -0.188 -5.411 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.904 0.504 -8.080 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.709 0.910 -5.865 1.00 0.00 C ATOM 768 CZ PHE A 67 9.659 1.256 -7.202 1.00 0.00 C ATOM 0 H PHE A 67 5.252 -1.386 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 67 5.672 -1.612 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.775 -2.351 -4.756 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.763 -3.016 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.613 -1.179 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.045 -0.455 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.863 0.773 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.299 1.497 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.210 2.113 -7.560 1.00 0.00 H new ATOM 778 N PHE A 68 4.794 -3.922 -6.690 1.00 0.00 N ATOM 779 CA PHE A 68 4.140 -5.223 -6.626 1.00 0.00 C ATOM 780 C PHE A 68 4.770 -6.181 -7.634 1.00 0.00 C ATOM 781 O PHE A 68 4.537 -6.072 -8.839 1.00 0.00 O ATOM 782 CB PHE A 68 2.641 -5.082 -6.901 1.00 0.00 C ATOM 783 CG PHE A 68 1.906 -6.393 -6.935 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.900 -7.170 -8.082 1.00 0.00 C ATOM 785 CD2 PHE A 68 1.221 -6.847 -5.818 1.00 0.00 C ATOM 786 CE1 PHE A 68 1.225 -8.375 -8.116 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.544 -8.051 -5.847 1.00 0.00 C ATOM 788 CZ PHE A 68 0.546 -8.816 -6.998 1.00 0.00 C ATOM 0 H PHE A 68 4.828 -3.516 -7.625 1.00 0.00 H new ATOM 0 HA PHE A 68 4.274 -5.628 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.198 -4.447 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.502 -4.573 -7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.429 -6.830 -8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.217 -6.253 -4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.229 -8.971 -9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.014 -8.394 -4.971 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.017 -9.757 -7.023 1.00 0.00 H new ATOM 798 N SER A 69 5.576 -7.111 -7.135 1.00 0.00 N ATOM 799 CA SER A 69 6.242 -8.088 -7.990 1.00 0.00 C ATOM 800 C SER A 69 7.205 -7.411 -8.966 1.00 0.00 C ATOM 801 O SER A 69 7.632 -8.020 -9.946 1.00 0.00 O ATOM 802 CB SER A 69 5.208 -8.907 -8.764 1.00 0.00 C ATOM 803 OG SER A 69 5.836 -9.873 -9.590 1.00 0.00 O ATOM 0 H SER A 69 5.785 -7.210 -6.141 1.00 0.00 H new ATOM 0 HA SER A 69 6.821 -8.752 -7.347 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.536 -9.404 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.597 -8.243 -9.376 1.00 0.00 H new ATOM 0 HG SER A 69 6.653 -9.493 -9.975 1.00 0.00 H new ATOM 809 N GLY A 70 7.545 -6.152 -8.695 1.00 0.00 N ATOM 810 CA GLY A 70 8.459 -5.430 -9.563 1.00 0.00 C ATOM 811 C GLY A 70 7.778 -4.341 -10.373 1.00 0.00 C ATOM 812 O GLY A 70 8.390 -3.757 -11.267 1.00 0.00 O ATOM 0 H GLY A 70 7.205 -5.622 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.249 -4.984 -8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.937 -6.135 -10.243 1.00 0.00 H new ATOM 816 N ARG A 71 6.514 -4.062 -10.065 1.00 0.00 N ATOM 817 CA ARG A 71 5.766 -3.031 -10.779 1.00 0.00 C ATOM 818 C ARG A 71 5.333 -1.917 -9.825 1.00 0.00 C ATOM 819 O ARG A 71 4.794 -2.190 -8.757 1.00 0.00 O ATOM 820 CB ARG A 71 4.538 -3.645 -11.454 1.00 0.00 C ATOM 821 CG ARG A 71 4.878 -4.686 -12.508 1.00 0.00 C ATOM 822 CD ARG A 71 3.625 -5.315 -13.094 1.00 0.00 C ATOM 823 NE ARG A 71 3.934 -6.251 -14.174 1.00 0.00 N ATOM 824 CZ ARG A 71 4.154 -7.553 -13.993 1.00 0.00 C ATOM 825 NH1 ARG A 71 4.121 -8.079 -12.775 1.00 0.00 N ATOM 826 NH2 ARG A 71 4.413 -8.329 -15.036 1.00 0.00 N ATOM 0 H ARG A 71 5.988 -4.533 -9.329 1.00 0.00 H new ATOM 0 HA ARG A 71 6.417 -2.601 -11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.907 -4.104 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.953 -2.850 -11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.460 -4.222 -13.304 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.503 -5.462 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.080 -5.837 -12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.968 -4.531 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 71 3.984 -5.885 -15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.926 -7.486 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.290 -9.076 -12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.444 -7.929 -15.974 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.582 -9.326 -14.901 1.00 0.00 H new ATOM 840 N PRO A 72 5.551 -0.643 -10.200 1.00 0.00 N ATOM 841 CA PRO A 72 5.172 0.496 -9.356 1.00 0.00 C ATOM 842 C PRO A 72 3.659 0.657 -9.269 1.00 0.00 C ATOM 843 O PRO A 72 2.984 0.784 -10.290 1.00 0.00 O ATOM 844 CB PRO A 72 5.794 1.711 -10.064 1.00 0.00 C ATOM 845 CG PRO A 72 6.717 1.152 -11.097 1.00 0.00 C ATOM 846 CD PRO A 72 6.183 -0.205 -11.451 1.00 0.00 C ATOM 0 HA PRO A 72 5.518 0.371 -8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.025 2.333 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.334 2.341 -9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.753 1.797 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.734 1.081 -10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.466 -0.156 -12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.977 -0.884 -11.762 1.00 0.00 H new ATOM 854 N LEU A 73 3.122 0.655 -8.048 1.00 0.00 N ATOM 855 CA LEU A 73 1.675 0.795 -7.867 1.00 0.00 C ATOM 856 C LEU A 73 1.230 2.247 -8.027 1.00 0.00 C ATOM 857 O LEU A 73 1.906 3.171 -7.580 1.00 0.00 O ATOM 858 CB LEU A 73 1.230 0.266 -6.503 1.00 0.00 C ATOM 859 CG LEU A 73 1.393 -1.241 -6.296 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.438 -2.016 -7.190 1.00 0.00 C ATOM 861 CD2 LEU A 73 2.828 -1.670 -6.540 1.00 0.00 C ATOM 0 H LEU A 73 3.655 0.560 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 73 1.200 0.198 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.796 0.785 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.181 0.524 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 73 1.145 -1.467 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.572 -3.085 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.589 -1.738 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.645 -1.781 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.917 -2.745 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.112 -1.425 -7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.487 -1.148 -5.846 1.00 0.00 H new ATOM 872 N THR A 74 0.079 2.434 -8.668 1.00 0.00 N ATOM 873 CA THR A 74 -0.473 3.764 -8.898 1.00 0.00 C ATOM 874 C THR A 74 -1.689 4.033 -8.011 1.00 0.00 C ATOM 875 O THR A 74 -2.081 3.196 -7.202 1.00 0.00 O ATOM 876 CB THR A 74 -0.881 3.949 -10.371 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.917 3.020 -10.714 1.00 0.00 O ATOM 878 CG2 THR A 74 0.313 3.748 -11.292 1.00 0.00 C ATOM 0 H THR A 74 -0.492 1.675 -9.039 1.00 0.00 H new ATOM 0 HA THR A 74 0.314 4.475 -8.645 1.00 0.00 H new ATOM 0 HB THR A 74 -1.251 4.967 -10.498 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.061 3.033 -11.683 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.001 3.884 -12.327 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.087 4.476 -11.048 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.708 2.741 -11.161 1.00 0.00 H new ATOM 886 N ASP A 75 -2.287 5.204 -8.197 1.00 0.00 N ATOM 887 CA ASP A 75 -3.458 5.632 -7.429 1.00 0.00 C ATOM 888 C ASP A 75 -4.747 5.010 -7.973 1.00 0.00 C ATOM 889 O ASP A 75 -5.838 5.538 -7.762 1.00 0.00 O ATOM 890 CB ASP A 75 -3.560 7.161 -7.468 1.00 0.00 C ATOM 891 CG ASP A 75 -4.744 7.696 -6.683 1.00 0.00 C ATOM 892 OD1 ASP A 75 -5.264 6.962 -5.819 1.00 0.00 O ATOM 893 OD2 ASP A 75 -5.152 8.848 -6.938 1.00 0.00 O ATOM 0 H ASP A 75 -1.975 5.888 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.334 5.292 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.642 7.591 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.641 7.488 -8.505 1.00 0.00 H new ATOM 898 N LYS A 76 -4.617 3.894 -8.675 1.00 0.00 N ATOM 899 CA LYS A 76 -5.768 3.207 -9.238 1.00 0.00 C ATOM 900 C LYS A 76 -5.574 1.699 -9.149 1.00 0.00 C ATOM 901 O LYS A 76 -6.057 0.949 -9.994 1.00 0.00 O ATOM 902 CB LYS A 76 -5.970 3.621 -10.696 1.00 0.00 C ATOM 903 CG LYS A 76 -6.334 5.088 -10.870 1.00 0.00 C ATOM 904 CD LYS A 76 -5.096 5.968 -10.950 1.00 0.00 C ATOM 905 CE LYS A 76 -4.582 6.085 -12.377 1.00 0.00 C ATOM 906 NZ LYS A 76 -4.227 4.760 -12.954 1.00 0.00 N ATOM 0 H LYS A 76 -3.722 3.444 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.654 3.485 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.056 3.414 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.757 3.006 -11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.927 5.211 -11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.956 5.410 -10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.329 6.960 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.313 5.554 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.342 6.559 -12.998 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.706 6.734 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.712 4.897 -13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.626 4.239 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.095 4.216 -13.135 1.00 0.00 H new ATOM 920 N MET A 77 -4.853 1.264 -8.120 1.00 0.00 N ATOM 921 CA MET A 77 -4.574 -0.155 -7.931 1.00 0.00 C ATOM 922 C MET A 77 -5.626 -0.868 -7.083 1.00 0.00 C ATOM 923 O MET A 77 -6.084 -1.951 -7.451 1.00 0.00 O ATOM 924 CB MET A 77 -3.191 -0.342 -7.305 1.00 0.00 C ATOM 925 CG MET A 77 -2.053 0.048 -8.232 1.00 0.00 C ATOM 926 SD MET A 77 -2.107 -0.847 -9.800 1.00 0.00 S ATOM 927 CE MET A 77 -0.771 -0.069 -10.702 1.00 0.00 C ATOM 0 H MET A 77 -4.452 1.872 -7.406 1.00 0.00 H new ATOM 0 HA MET A 77 -4.603 -0.610 -8.921 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.129 0.254 -6.394 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.071 -1.385 -7.012 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.097 1.120 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.102 -0.147 -7.737 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.982 -0.108 -11.771 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.677 0.971 -10.388 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.161 -0.595 -10.497 1.00 0.00 H new ATOM 937 N LYS A 78 -6.055 -0.257 -5.980 1.00 0.00 N ATOM 938 CA LYS A 78 -7.022 -0.918 -5.108 1.00 0.00 C ATOM 939 C LYS A 78 -8.295 -1.265 -5.869 1.00 0.00 C ATOM 940 O LYS A 78 -8.581 -2.439 -6.114 1.00 0.00 O ATOM 941 CB LYS A 78 -7.352 -0.066 -3.887 1.00 0.00 C ATOM 942 CG LYS A 78 -8.270 -0.754 -2.890 1.00 0.00 C ATOM 943 CD LYS A 78 -9.735 -0.648 -3.286 1.00 0.00 C ATOM 944 CE LYS A 78 -10.346 -2.016 -3.555 1.00 0.00 C ATOM 945 NZ LYS A 78 -11.779 -1.919 -3.949 1.00 0.00 N ATOM 0 H LYS A 78 -5.758 0.670 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.562 -1.842 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.424 0.207 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.820 0.861 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.993 -1.805 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.129 -0.311 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.292 -0.151 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.827 -0.027 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.785 -2.514 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.256 -2.635 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.078 -2.810 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.360 -1.743 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.901 -1.137 -4.623 1.00 0.00 H new ATOM 959 N PHE A 79 -9.048 -0.244 -6.254 1.00 0.00 N ATOM 960 CA PHE A 79 -10.284 -0.446 -6.997 1.00 0.00 C ATOM 961 C PHE A 79 -10.059 -1.219 -8.303 1.00 0.00 C ATOM 962 O PHE A 79 -11.022 -1.647 -8.939 1.00 0.00 O ATOM 963 CB PHE A 79 -10.930 0.902 -7.320 1.00 0.00 C ATOM 964 CG PHE A 79 -12.280 0.780 -7.971 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.380 0.361 -7.241 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.445 1.083 -9.313 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.621 0.247 -7.838 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.684 0.971 -9.915 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.774 0.552 -9.176 1.00 0.00 C ATOM 0 H PHE A 79 -8.824 0.733 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.942 -1.039 -6.362 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.030 1.478 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.268 1.465 -7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.267 0.121 -6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.596 1.410 -9.895 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.471 -0.081 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.800 1.211 -10.962 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.743 0.463 -9.644 1.00 0.00 H new ATOM 979 N GLU A 80 -8.801 -1.395 -8.712 1.00 0.00 N ATOM 980 CA GLU A 80 -8.508 -2.103 -9.957 1.00 0.00 C ATOM 981 C GLU A 80 -8.328 -3.601 -9.730 1.00 0.00 C ATOM 982 O GLU A 80 -8.576 -4.405 -10.629 1.00 0.00 O ATOM 983 CB GLU A 80 -7.258 -1.513 -10.617 1.00 0.00 C ATOM 984 CG GLU A 80 -6.866 -2.190 -11.923 1.00 0.00 C ATOM 985 CD GLU A 80 -6.144 -3.506 -11.711 1.00 0.00 C ATOM 986 OE1 GLU A 80 -5.058 -3.495 -11.093 1.00 0.00 O ATOM 987 OE2 GLU A 80 -6.663 -4.549 -12.163 1.00 0.00 O ATOM 0 H GLU A 80 -7.980 -1.062 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.363 -1.972 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.426 -0.453 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.424 -1.584 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.762 -2.365 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.227 -1.519 -12.497 1.00 0.00 H new ATOM 994 N GLU A 81 -7.902 -3.977 -8.529 1.00 0.00 N ATOM 995 CA GLU A 81 -7.681 -5.375 -8.208 1.00 0.00 C ATOM 996 C GLU A 81 -8.943 -5.957 -7.611 1.00 0.00 C ATOM 997 O GLU A 81 -9.532 -6.897 -8.144 1.00 0.00 O ATOM 998 CB GLU A 81 -6.509 -5.528 -7.237 1.00 0.00 C ATOM 999 CG GLU A 81 -6.038 -6.963 -7.075 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.669 -7.605 -8.397 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.603 -7.260 -8.948 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -6.446 -8.455 -8.881 1.00 0.00 O ATOM 0 H GLU A 81 -7.704 -3.331 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.432 -5.916 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.676 -4.918 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.802 -5.138 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.175 -6.986 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.824 -7.548 -6.597 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.346 -5.372 -6.487 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.547 -5.774 -5.775 1.00 0.00 C ATOM 1011 C LEU A 82 -10.349 -7.097 -5.038 1.00 0.00 C ATOM 1012 O LEU A 82 -11.118 -7.431 -4.137 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.736 -5.881 -6.731 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.092 -4.610 -7.510 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.148 -3.408 -6.580 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.105 -4.369 -8.639 1.00 0.00 C ATOM 0 H LEU A 82 -8.844 -4.602 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.756 -5.002 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.529 -6.676 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.611 -6.188 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.079 -4.750 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.402 -2.516 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.905 -3.575 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.177 -3.270 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.381 -3.461 -9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.102 -4.257 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.123 -5.216 -9.325 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.315 -7.843 -5.416 1.00 0.00 N ATOM 1029 CA LYS A 83 -9.030 -9.125 -4.789 1.00 0.00 C ATOM 1030 C LYS A 83 -7.841 -9.002 -3.847 1.00 0.00 C ATOM 1031 O LYS A 83 -7.042 -9.925 -3.716 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.735 -10.184 -5.856 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.518 -10.006 -7.150 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.946 -10.501 -7.012 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.822 -9.479 -6.314 1.00 0.00 C ATOM 1036 NZ LYS A 83 -13.208 -9.982 -6.106 1.00 0.00 N ATOM 0 H LYS A 83 -8.662 -7.580 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.906 -9.430 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.669 -10.165 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.956 -11.169 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.523 -8.953 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.021 -10.548 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.354 -10.718 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.956 -11.435 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.381 -9.221 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.853 -8.564 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.774 -9.253 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.638 -10.204 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.181 -10.841 -5.520 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.738 -7.851 -3.196 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.646 -7.580 -2.268 1.00 0.00 C ATOM 1052 C ILE A 84 -6.913 -8.101 -0.849 1.00 0.00 C ATOM 1053 O ILE A 84 -5.966 -8.359 -0.105 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.355 -6.070 -2.191 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.599 -5.313 -1.721 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.894 -5.553 -3.546 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -7.364 -3.833 -1.509 1.00 0.00 C ATOM 0 H ILE A 84 -8.403 -7.084 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.784 -8.115 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.557 -5.903 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.393 -5.445 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.951 -5.754 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.692 -4.484 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.986 -6.076 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.674 -5.728 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.289 -3.362 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.592 -3.692 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.041 -3.378 -2.445 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.189 -8.270 -0.439 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.522 -8.747 0.910 1.00 0.00 C ATOM 1071 C PRO A 85 -7.657 -9.919 1.373 1.00 0.00 C ATOM 1072 O PRO A 85 -7.967 -11.080 1.102 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.980 -9.174 0.771 1.00 0.00 C ATOM 1074 CG PRO A 85 -10.529 -8.255 -0.262 1.00 0.00 C ATOM 1075 CD PRO A 85 -9.408 -8.016 -1.239 1.00 0.00 C ATOM 0 HA PRO A 85 -8.348 -7.978 1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.063 -10.216 0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.516 -9.078 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.393 -8.697 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.863 -7.319 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.473 -8.687 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.427 -6.998 -1.629 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.572 -9.599 2.072 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.659 -10.611 2.600 1.00 0.00 C ATOM 1085 C LYS A 86 -5.061 -11.477 1.491 1.00 0.00 C ATOM 1086 O LYS A 86 -4.541 -12.560 1.756 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.393 -11.494 3.614 1.00 0.00 C ATOM 1088 CG LYS A 86 -5.474 -12.380 4.440 1.00 0.00 C ATOM 1089 CD LYS A 86 -6.253 -13.176 5.474 1.00 0.00 C ATOM 1090 CE LYS A 86 -5.339 -14.080 6.286 1.00 0.00 C ATOM 1091 NZ LYS A 86 -6.096 -14.879 7.289 1.00 0.00 N ATOM 0 H LYS A 86 -6.301 -8.640 2.288 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.836 -10.091 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.968 -10.857 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.107 -12.123 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.937 -13.063 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.726 -11.765 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.777 -12.492 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.012 -13.778 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.804 -14.752 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.589 -13.475 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.437 -15.482 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.586 -14.238 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.794 -15.476 6.802 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.130 -11.005 0.251 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.588 -11.760 -0.874 1.00 0.00 C ATOM 1107 C ASP A 87 -3.398 -11.041 -1.507 1.00 0.00 C ATOM 1108 O ASP A 87 -2.255 -11.479 -1.375 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.672 -12.004 -1.923 1.00 0.00 C ATOM 1110 CG ASP A 87 -5.200 -12.911 -3.043 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -4.545 -12.409 -3.980 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -5.486 -14.125 -2.983 1.00 0.00 O ATOM 0 H ASP A 87 -5.552 -10.111 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.238 -12.719 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.544 -12.448 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.990 -11.049 -2.342 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.673 -9.934 -2.193 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.623 -9.162 -2.851 1.00 0.00 C ATOM 1119 C TYR A 88 -1.812 -8.356 -1.842 1.00 0.00 C ATOM 1120 O TYR A 88 -2.327 -7.926 -0.807 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.224 -8.233 -3.906 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.573 -8.936 -5.199 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.503 -9.965 -5.222 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.965 -8.573 -6.395 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.822 -10.613 -6.401 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.278 -9.216 -7.578 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.207 -10.234 -7.575 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.522 -10.877 -8.750 1.00 0.00 O ATOM 0 H TYR A 88 -4.612 -9.553 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.950 -9.866 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.123 -7.768 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.517 -7.430 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.986 -10.265 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.236 -7.776 -6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.549 -11.412 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.797 -8.922 -8.499 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.222 -10.377 -9.219 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.538 -8.152 -2.159 1.00 0.00 N ATOM 1139 CA VAL A 89 0.356 -7.405 -1.285 1.00 0.00 C ATOM 1140 C VAL A 89 1.334 -6.551 -2.086 1.00 0.00 C ATOM 1141 O VAL A 89 2.019 -7.049 -2.979 1.00 0.00 O ATOM 1142 CB VAL A 89 1.154 -8.356 -0.368 1.00 0.00 C ATOM 1143 CG1 VAL A 89 1.994 -9.317 -1.195 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.030 -7.574 0.603 1.00 0.00 C ATOM 0 H VAL A 89 -0.102 -8.494 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.269 -6.752 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 89 0.441 -8.937 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.549 -9.979 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.342 -9.910 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.693 -8.752 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.581 -8.269 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.734 -6.958 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.403 -6.935 1.225 1.00 0.00 H new ATOM 1154 N VAL A 90 1.394 -5.263 -1.762 1.00 0.00 N ATOM 1155 CA VAL A 90 2.305 -4.351 -2.442 1.00 0.00 C ATOM 1156 C VAL A 90 3.545 -4.120 -1.600 1.00 0.00 C ATOM 1157 O VAL A 90 3.461 -3.644 -0.468 1.00 0.00 O ATOM 1158 CB VAL A 90 1.649 -2.989 -2.750 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.645 -2.055 -3.425 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.420 -3.176 -3.622 1.00 0.00 C ATOM 0 H VAL A 90 0.825 -4.829 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 90 2.573 -4.822 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 90 1.338 -2.537 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.164 -1.100 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.498 -1.895 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.987 -2.501 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.030 -2.205 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.708 -3.650 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.302 -3.807 -3.103 1.00 0.00 H new ATOM 1170 N GLN A 91 4.694 -4.460 -2.157 1.00 0.00 N ATOM 1171 CA GLN A 91 5.947 -4.286 -1.454 1.00 0.00 C ATOM 1172 C GLN A 91 6.495 -2.883 -1.669 1.00 0.00 C ATOM 1173 O GLN A 91 6.709 -2.455 -2.804 1.00 0.00 O ATOM 1174 CB GLN A 91 6.968 -5.327 -1.906 1.00 0.00 C ATOM 1175 CG GLN A 91 8.293 -5.214 -1.177 1.00 0.00 C ATOM 1176 CD GLN A 91 9.314 -4.392 -1.940 1.00 0.00 C ATOM 1177 OE1 GLN A 91 8.963 -3.481 -2.688 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.590 -4.714 -1.755 1.00 0.00 N ATOM 0 H GLN A 91 4.783 -4.857 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 91 5.759 -4.424 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.557 -6.324 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.139 -5.219 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.127 -4.763 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.694 -6.213 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.837 -5.477 -1.125 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.322 -4.198 -2.243 1.00 0.00 H new ATOM 1187 N VAL A 92 6.710 -2.166 -0.574 1.00 0.00 N ATOM 1188 CA VAL A 92 7.235 -0.813 -0.641 1.00 0.00 C ATOM 1189 C VAL A 92 8.695 -0.771 -0.201 1.00 0.00 C ATOM 1190 O VAL A 92 9.170 -1.677 0.485 1.00 0.00 O ATOM 1191 CB VAL A 92 6.420 0.153 0.244 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.929 0.017 -0.030 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.704 -0.092 1.710 1.00 0.00 C ATOM 0 H VAL A 92 6.528 -2.502 0.372 1.00 0.00 H new ATOM 0 HA VAL A 92 7.158 -0.495 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 92 6.725 1.169 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.377 0.709 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.729 0.248 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.612 -1.004 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.118 0.600 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.433 -1.116 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.765 0.063 1.906 1.00 0.00 H new ATOM 1203 N ILE A 93 9.403 0.282 -0.594 1.00 0.00 N ATOM 1204 CA ILE A 93 10.801 0.433 -0.208 1.00 0.00 C ATOM 1205 C ILE A 93 11.119 1.873 0.184 1.00 0.00 C ATOM 1206 O ILE A 93 10.989 2.795 -0.623 1.00 0.00 O ATOM 1207 CB ILE A 93 11.763 -0.023 -1.321 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.465 0.705 -2.630 1.00 0.00 C ATOM 1209 CG2 ILE A 93 11.667 -1.529 -1.515 1.00 0.00 C ATOM 1210 CD1 ILE A 93 12.366 0.280 -3.766 1.00 0.00 C ATOM 0 H ILE A 93 9.037 1.037 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 93 10.950 -0.212 0.658 1.00 0.00 H new ATOM 0 HB ILE A 93 12.780 0.227 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.427 0.524 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.570 1.779 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.352 -1.839 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.933 -2.033 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.648 -1.796 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.102 0.834 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.404 0.486 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.243 -0.788 -3.948 1.00 0.00 H new ATOM 1222 N VAL A 94 11.518 2.055 1.441 1.00 0.00 N ATOM 1223 CA VAL A 94 11.869 3.364 1.964 1.00 0.00 C ATOM 1224 C VAL A 94 13.343 3.410 2.352 1.00 0.00 C ATOM 1225 O VAL A 94 13.723 3.002 3.448 1.00 0.00 O ATOM 1226 CB VAL A 94 10.999 3.729 3.191 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.884 2.543 4.135 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.568 4.934 3.922 1.00 0.00 C ATOM 0 H VAL A 94 11.605 1.299 2.120 1.00 0.00 H new ATOM 0 HA VAL A 94 11.682 4.093 1.175 1.00 0.00 H new ATOM 0 HB VAL A 94 10.002 3.987 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.269 2.818 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.423 1.705 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.877 2.254 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.938 5.170 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.578 4.708 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.596 5.789 3.247 1.00 0.00 H new ATOM 1238 N SER A 95 14.165 3.907 1.438 1.00 0.00 N ATOM 1239 CA SER A 95 15.598 4.023 1.678 1.00 0.00 C ATOM 1240 C SER A 95 15.945 5.404 2.230 1.00 0.00 C ATOM 1241 O SER A 95 17.059 5.895 2.043 1.00 0.00 O ATOM 1242 CB SER A 95 16.377 3.769 0.386 1.00 0.00 C ATOM 1243 OG SER A 95 16.111 2.474 -0.124 1.00 0.00 O ATOM 0 H SER A 95 13.864 4.237 0.521 1.00 0.00 H new ATOM 0 HA SER A 95 15.879 3.272 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.108 4.519 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.445 3.877 0.575 1.00 0.00 H new ATOM 0 HG SER A 95 16.619 2.337 -0.951 1.00 0.00 H new ATOM 1249 N GLN A 96 14.984 6.027 2.909 1.00 0.00 N ATOM 1250 CA GLN A 96 15.187 7.348 3.488 1.00 0.00 C ATOM 1251 C GLN A 96 15.377 7.252 5.001 1.00 0.00 C ATOM 1252 O GLN A 96 14.446 7.501 5.768 1.00 0.00 O ATOM 1253 CB GLN A 96 13.999 8.260 3.166 1.00 0.00 C ATOM 1254 CG GLN A 96 13.774 8.474 1.676 1.00 0.00 C ATOM 1255 CD GLN A 96 14.886 9.273 1.023 1.00 0.00 C ATOM 1256 OE1 GLN A 96 16.039 9.223 1.449 1.00 0.00 O ATOM 1257 NE2 GLN A 96 14.542 10.022 -0.019 1.00 0.00 N ATOM 0 H GLN A 96 14.056 5.635 3.070 1.00 0.00 H new ATOM 0 HA GLN A 96 16.090 7.776 3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 96 13.096 7.833 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.156 9.228 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.691 7.505 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 96 12.826 8.990 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.574 10.035 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.246 10.584 -0.498 1.00 0.00 H new ATOM 1266 N PRO A 97 16.592 6.885 5.448 1.00 0.00 N ATOM 1267 CA PRO A 97 16.902 6.754 6.876 1.00 0.00 C ATOM 1268 C PRO A 97 16.789 8.081 7.618 1.00 0.00 C ATOM 1269 O PRO A 97 16.354 8.125 8.768 1.00 0.00 O ATOM 1270 CB PRO A 97 18.352 6.254 6.890 1.00 0.00 C ATOM 1271 CG PRO A 97 18.906 6.642 5.563 1.00 0.00 C ATOM 1272 CD PRO A 97 17.755 6.574 4.600 1.00 0.00 C ATOM 0 HA PRO A 97 16.205 6.085 7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.919 6.709 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.396 5.175 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.330 7.646 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 97 19.707 5.967 5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.866 7.293 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.669 5.588 4.143 1.00 0.00 H new ATOM 1280 N VAL A 98 17.185 9.160 6.952 1.00 0.00 N ATOM 1281 CA VAL A 98 17.125 10.489 7.548 1.00 0.00 C ATOM 1282 C VAL A 98 15.681 10.967 7.670 1.00 0.00 C ATOM 1283 O VAL A 98 15.350 11.750 8.561 1.00 0.00 O ATOM 1284 CB VAL A 98 17.929 11.513 6.722 1.00 0.00 C ATOM 1285 CG1 VAL A 98 17.952 12.865 7.418 1.00 0.00 C ATOM 1286 CG2 VAL A 98 19.343 11.007 6.476 1.00 0.00 C ATOM 0 H VAL A 98 17.551 9.140 6.000 1.00 0.00 H new ATOM 0 HA VAL A 98 17.566 10.413 8.542 1.00 0.00 H new ATOM 0 HB VAL A 98 17.438 11.638 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 98 18.524 13.573 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 98 16.932 13.231 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 98 18.416 12.761 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 98 19.896 11.742 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 98 19.845 10.851 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 98 19.302 10.065 5.929 1.00 0.00 H new ATOM 1296 N GLN A 99 14.827 10.492 6.769 1.00 0.00 N ATOM 1297 CA GLN A 99 13.418 10.871 6.778 1.00 0.00 C ATOM 1298 C GLN A 99 12.623 10.031 7.777 1.00 0.00 C ATOM 1299 O GLN A 99 11.483 10.359 8.105 1.00 0.00 O ATOM 1300 CB GLN A 99 12.821 10.714 5.378 1.00 0.00 C ATOM 1301 CG GLN A 99 11.362 11.130 5.290 1.00 0.00 C ATOM 1302 CD GLN A 99 11.144 12.579 5.677 1.00 0.00 C ATOM 1303 OE1 GLN A 99 10.907 12.894 6.843 1.00 0.00 O ATOM 1304 NE2 GLN A 99 11.225 13.472 4.697 1.00 0.00 N ATOM 0 H GLN A 99 15.085 9.845 6.024 1.00 0.00 H new ATOM 0 HA GLN A 99 13.355 11.915 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.403 11.309 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.913 9.673 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.004 10.972 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.766 10.490 5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.424 13.167 3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.089 14.463 4.897 1.00 0.00 H new ATOM 1313 N ASN A 100 13.228 8.946 8.258 1.00 0.00 N ATOM 1314 CA ASN A 100 12.571 8.068 9.219 1.00 0.00 C ATOM 1315 C ASN A 100 11.315 7.445 8.616 1.00 0.00 C ATOM 1316 O ASN A 100 11.426 6.356 8.017 1.00 0.00 O ATOM 1317 CB ASN A 100 12.210 8.837 10.494 1.00 0.00 C ATOM 1318 CG ASN A 100 13.375 8.964 11.462 1.00 0.00 C ATOM 1319 OD1 ASN A 100 13.182 8.977 12.678 1.00 0.00 O ATOM 1320 ND2 ASN A 100 14.592 9.064 10.935 1.00 0.00 N ATOM 0 H ASN A 100 14.170 8.656 7.997 1.00 0.00 H new ATOM 0 HA ASN A 100 13.268 7.270 9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.859 9.833 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.383 8.333 10.994 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.405 9.155 11.544 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.712 9.049 9.922 1.00 0.00 H new TER 1327 ASN A 100