USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Set 1.1: A 12 GLN : amide:sc= 0.356 K(o=1.4,f=-0.078) USER MOD Set 1.2: A 16 GLN : amide:sc= 1 K(o=1.4,f=-0.0072) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0165 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -79:sc= 0.279 USER MOD Single : A 25 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.081) USER MOD Single : A 26 ASN : amide:sc= 0.129 K(o=0.13,f=-1.6) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 1.54 (180deg=1.48) USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.14 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0231) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : B 17 TYR OH : rot -161:sc= 0.58 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -160:sc= -0.196 USER MOD Single : B 25 HIS : no HD1:sc= 0.0232 X(o=0.023,f=-0.44) USER MOD Single : B 26 ASN :FLIP amide:sc= -0.145 F(o=-0.72,f=-0.15) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.983) USER MOD Single : B 39 HIS : no HE2:sc= -0.502 K(o=-0.5,f=-3.5) USER MOD Single : B 45 THR OG1 : rot 80:sc= 0.157 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.329 12.970 -12.062 1.00 0.00 C HETATM 2 O ACE A 0 3.654 13.071 -13.244 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.564 14.082 -11.382 1.00 0.00 C HETATM 0 H1 ACE A 0 1.608 13.700 -11.025 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.142 14.458 -10.538 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.390 14.891 -12.092 1.00 0.00 H new ATOM 7 N ASP A 1 3.613 11.910 -11.308 1.00 0.00 N ATOM 8 CA ASP A 1 4.394 10.742 -11.760 1.00 0.00 C ATOM 9 C ASP A 1 3.960 9.416 -11.111 1.00 0.00 C ATOM 10 O ASP A 1 3.978 8.359 -11.747 1.00 0.00 O ATOM 11 CB ASP A 1 5.877 11.011 -11.459 1.00 0.00 C ATOM 12 CG ASP A 1 6.803 9.923 -12.029 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.961 9.852 -13.271 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.401 9.160 -11.232 1.00 0.00 O ATOM 0 H ASP A 1 3.302 11.830 -10.340 1.00 0.00 H new ATOM 0 HA ASP A 1 4.216 10.621 -12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.159 11.978 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.019 11.075 -10.380 1.00 0.00 H new ATOM 19 N TYR A 2 3.513 9.483 -9.854 1.00 0.00 N ATOM 20 CA TYR A 2 3.093 8.332 -9.041 1.00 0.00 C ATOM 21 C TYR A 2 2.008 7.458 -9.693 1.00 0.00 C ATOM 22 O TYR A 2 2.005 6.245 -9.505 1.00 0.00 O ATOM 23 CB TYR A 2 2.629 8.816 -7.659 1.00 0.00 C ATOM 24 CG TYR A 2 1.263 9.481 -7.617 1.00 0.00 C ATOM 25 CD1 TYR A 2 1.128 10.853 -7.915 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.122 8.713 -7.310 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.149 11.444 -7.962 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.155 9.304 -7.345 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.295 10.663 -7.695 1.00 0.00 C ATOM 30 OH TYR A 2 -2.537 11.194 -7.841 1.00 0.00 O ATOM 0 H TYR A 2 3.430 10.369 -9.355 1.00 0.00 H new ATOM 0 HA TYR A 2 3.969 7.690 -8.948 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.618 7.963 -6.981 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.367 9.520 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.006 11.452 -8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.227 7.671 -7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.252 12.492 -8.202 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.028 8.716 -7.104 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.210 10.518 -7.617 1.00 0.00 H new ATOM 40 N LEU A 3 1.110 8.063 -10.474 1.00 0.00 N ATOM 41 CA LEU A 3 0.021 7.383 -11.200 1.00 0.00 C ATOM 42 C LEU A 3 0.543 6.441 -12.290 1.00 0.00 C ATOM 43 O LEU A 3 0.096 5.295 -12.393 1.00 0.00 O ATOM 44 CB LEU A 3 -0.909 8.421 -11.856 1.00 0.00 C ATOM 45 CG LEU A 3 -1.743 9.227 -10.854 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.466 10.368 -11.569 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.783 8.356 -10.143 1.00 0.00 C ATOM 0 H LEU A 3 1.116 9.071 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.521 6.789 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.308 9.109 -12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.581 7.909 -12.544 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.053 9.622 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.055 10.934 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.734 11.027 -12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.125 9.958 -12.334 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.352 8.967 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.460 7.924 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.278 7.556 -9.601 1.00 0.00 H new ATOM 59 N ARG A 4 1.507 6.919 -13.087 1.00 0.00 N ATOM 60 CA ARG A 4 2.189 6.090 -14.090 1.00 0.00 C ATOM 61 C ARG A 4 2.981 4.979 -13.412 1.00 0.00 C ATOM 62 O ARG A 4 2.887 3.830 -13.832 1.00 0.00 O ATOM 63 CB ARG A 4 3.071 6.949 -15.013 1.00 0.00 C ATOM 64 CG ARG A 4 3.574 6.115 -16.203 1.00 0.00 C ATOM 65 CD ARG A 4 4.363 6.960 -17.208 1.00 0.00 C ATOM 66 NE ARG A 4 4.730 6.158 -18.393 1.00 0.00 N ATOM 67 CZ ARG A 4 5.272 6.601 -19.515 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.596 7.852 -19.683 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.499 5.783 -20.502 1.00 0.00 N ATOM 0 H ARG A 4 1.835 7.884 -13.056 1.00 0.00 H new ATOM 0 HA ARG A 4 1.436 5.619 -14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.503 7.806 -15.376 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.919 7.343 -14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.205 5.306 -15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.724 5.654 -16.706 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.767 7.819 -17.515 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.264 7.350 -16.734 1.00 0.00 H new ATOM 0 HE ARG A 4 4.546 5.156 -18.340 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.433 8.526 -18.935 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.012 8.157 -20.563 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.259 4.796 -20.412 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.917 6.129 -21.365 1.00 0.00 H new ATOM 83 N GLU A 5 3.691 5.292 -12.328 1.00 0.00 N ATOM 84 CA GLU A 5 4.381 4.276 -11.517 1.00 0.00 C ATOM 85 C GLU A 5 3.416 3.193 -10.978 1.00 0.00 C ATOM 86 O GLU A 5 3.733 2.003 -11.033 1.00 0.00 O ATOM 87 CB GLU A 5 5.159 4.987 -10.400 1.00 0.00 C ATOM 88 CG GLU A 5 5.966 4.062 -9.481 1.00 0.00 C ATOM 89 CD GLU A 5 7.046 3.226 -10.204 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.648 3.704 -11.196 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.327 2.087 -9.759 1.00 0.00 O ATOM 0 H GLU A 5 3.807 6.246 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 5 5.084 3.732 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.840 5.707 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.454 5.554 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.446 4.665 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.279 3.385 -8.974 1.00 0.00 H new ATOM 98 N LEU A 6 2.215 3.588 -10.532 1.00 0.00 N ATOM 99 CA LEU A 6 1.149 2.704 -10.041 1.00 0.00 C ATOM 100 C LEU A 6 0.713 1.670 -11.089 1.00 0.00 C ATOM 101 O LEU A 6 0.819 0.464 -10.855 1.00 0.00 O ATOM 102 CB LEU A 6 -0.054 3.562 -9.570 1.00 0.00 C ATOM 103 CG LEU A 6 -0.541 3.297 -8.136 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.518 3.602 -7.073 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.741 4.206 -7.853 1.00 0.00 C ATOM 0 H LEU A 6 1.949 4.572 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 6 1.544 2.135 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.219 4.614 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.886 3.394 -10.254 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.788 2.237 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.111 3.394 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.395 2.977 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.803 4.652 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.099 4.030 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.440 5.249 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.539 3.987 -8.563 1.00 0.00 H new ATOM 117 N LEU A 7 0.242 2.125 -12.256 1.00 0.00 N ATOM 118 CA LEU A 7 -0.305 1.253 -13.282 1.00 0.00 C ATOM 119 C LEU A 7 0.789 0.469 -14.024 1.00 0.00 C ATOM 120 O LEU A 7 0.569 -0.701 -14.350 1.00 0.00 O ATOM 121 CB LEU A 7 -1.321 2.029 -14.147 1.00 0.00 C ATOM 122 CG LEU A 7 -0.996 2.162 -15.634 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.265 2.430 -16.439 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.021 3.305 -15.901 1.00 0.00 C ATOM 0 H LEU A 7 0.233 3.113 -12.509 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.886 0.452 -12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.291 1.541 -14.053 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.427 3.031 -13.731 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.540 1.220 -15.939 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.013 2.522 -17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.963 1.604 -16.303 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.726 3.356 -16.094 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.184 3.366 -16.970 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.459 4.244 -15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.909 3.123 -15.363 1.00 0.00 H new ATOM 136 N LYS A 8 1.984 1.052 -14.228 1.00 0.00 N ATOM 137 CA LYS A 8 3.133 0.321 -14.784 1.00 0.00 C ATOM 138 C LYS A 8 3.529 -0.875 -13.904 1.00 0.00 C ATOM 139 O LYS A 8 3.895 -1.933 -14.416 1.00 0.00 O ATOM 140 CB LYS A 8 4.272 1.332 -14.952 1.00 0.00 C ATOM 141 CG LYS A 8 5.534 0.747 -15.588 1.00 0.00 C ATOM 142 CD LYS A 8 6.620 1.829 -15.608 1.00 0.00 C ATOM 143 CE LYS A 8 7.962 1.211 -15.985 1.00 0.00 C ATOM 144 NZ LYS A 8 8.117 1.016 -17.452 1.00 0.00 N ATOM 0 H LYS A 8 2.178 2.030 -14.015 1.00 0.00 H new ATOM 0 HA LYS A 8 2.880 -0.114 -15.751 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.920 2.162 -15.565 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.527 1.743 -13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.875 -0.120 -15.023 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.323 0.404 -16.601 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.355 2.609 -16.322 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.691 2.304 -14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.766 1.851 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.068 0.250 -15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.046 0.593 -17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.368 0.383 -17.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.045 1.935 -17.934 1.00 0.00 H new ATOM 158 N GLY A 9 3.400 -0.722 -12.584 1.00 0.00 N ATOM 159 CA GLY A 9 3.817 -1.694 -11.581 1.00 0.00 C ATOM 160 C GLY A 9 2.791 -2.751 -11.202 1.00 0.00 C ATOM 161 O GLY A 9 3.160 -3.827 -10.736 1.00 0.00 O ATOM 0 H GLY A 9 2.986 0.115 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.711 -2.200 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.102 -1.154 -10.678 1.00 0.00 H new ATOM 165 N GLU A 10 1.509 -2.494 -11.434 1.00 0.00 N ATOM 166 CA GLU A 10 0.492 -3.557 -11.324 1.00 0.00 C ATOM 167 C GLU A 10 0.488 -4.518 -12.529 1.00 0.00 C ATOM 168 O GLU A 10 0.153 -5.690 -12.345 1.00 0.00 O ATOM 169 CB GLU A 10 -0.900 -2.949 -11.084 1.00 0.00 C ATOM 170 CG GLU A 10 -1.076 -2.334 -9.683 1.00 0.00 C ATOM 171 CD GLU A 10 -1.952 -3.204 -8.777 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.662 -4.311 -8.299 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.127 -2.977 -8.429 1.00 0.00 O ATOM 0 H GLU A 10 1.144 -1.578 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 10 0.761 -4.164 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.085 -2.180 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.654 -3.723 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.098 -2.201 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.522 -1.344 -9.776 1.00 0.00 H new ATOM 180 N LEU A 11 0.922 -4.113 -13.737 1.00 0.00 N ATOM 181 CA LEU A 11 0.919 -5.025 -14.899 1.00 0.00 C ATOM 182 C LEU A 11 1.994 -6.125 -14.752 1.00 0.00 C ATOM 183 O LEU A 11 1.834 -7.259 -15.207 1.00 0.00 O ATOM 184 CB LEU A 11 1.050 -4.127 -16.154 1.00 0.00 C ATOM 185 CG LEU A 11 1.761 -4.752 -17.352 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.958 -5.877 -18.018 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.041 -3.700 -18.426 1.00 0.00 C ATOM 0 H LEU A 11 1.274 -3.176 -13.934 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.005 -5.598 -14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.050 -3.825 -16.467 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.584 -3.219 -15.873 1.00 0.00 H new ATOM 0 HG LEU A 11 2.684 -5.169 -16.949 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.521 -6.276 -18.861 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.776 -6.672 -17.294 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.005 -5.484 -18.372 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.548 -4.168 -19.270 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.100 -3.265 -18.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.675 -2.916 -18.011 1.00 0.00 H new ATOM 199 N GLN A 12 3.046 -5.800 -14.008 1.00 0.00 N ATOM 200 CA GLN A 12 4.147 -6.653 -13.573 1.00 0.00 C ATOM 201 C GLN A 12 3.645 -7.902 -12.821 1.00 0.00 C ATOM 202 O GLN A 12 4.276 -8.958 -12.890 1.00 0.00 O ATOM 203 CB GLN A 12 5.113 -5.744 -12.765 1.00 0.00 C ATOM 204 CG GLN A 12 5.842 -6.337 -11.540 1.00 0.00 C ATOM 205 CD GLN A 12 6.837 -7.469 -11.821 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.879 -8.479 -11.130 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.701 -7.347 -12.806 1.00 0.00 N ATOM 0 H GLN A 12 3.160 -4.847 -13.663 1.00 0.00 H new ATOM 0 HA GLN A 12 4.691 -7.080 -14.416 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.872 -5.375 -13.454 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.544 -4.879 -12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.375 -5.531 -11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.091 -6.707 -10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.687 -6.515 -13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.385 -8.084 -12.979 1.00 0.00 H new ATOM 216 N GLY A 13 2.483 -7.820 -12.160 1.00 0.00 N ATOM 217 CA GLY A 13 1.943 -8.896 -11.331 1.00 0.00 C ATOM 218 C GLY A 13 0.893 -9.732 -12.053 1.00 0.00 C ATOM 219 O GLY A 13 0.865 -10.949 -11.861 1.00 0.00 O ATOM 0 H GLY A 13 1.887 -6.993 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.758 -9.544 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.503 -8.468 -10.430 1.00 0.00 H new ATOM 223 N ILE A 14 0.068 -9.122 -12.924 1.00 0.00 N ATOM 224 CA ILE A 14 -1.062 -9.859 -13.542 1.00 0.00 C ATOM 225 C ILE A 14 -0.558 -11.060 -14.344 1.00 0.00 C ATOM 226 O ILE A 14 -1.054 -12.180 -14.194 1.00 0.00 O ATOM 227 CB ILE A 14 -1.934 -8.968 -14.459 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.533 -7.771 -13.700 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.082 -9.789 -15.094 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.105 -6.705 -14.641 1.00 0.00 C ATOM 0 H ILE A 14 0.153 -8.148 -13.213 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.685 -10.198 -12.715 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.277 -8.588 -15.241 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.321 -8.124 -13.035 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.764 -7.321 -13.072 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.681 -9.142 -15.734 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.663 -10.601 -15.689 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.711 -10.204 -14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.515 -5.883 -14.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.313 -6.329 -15.289 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.895 -7.144 -15.251 1.00 0.00 H new ATOM 242 N LYS A 15 0.452 -10.825 -15.192 1.00 0.00 N ATOM 243 CA LYS A 15 0.903 -11.829 -16.160 1.00 0.00 C ATOM 244 C LYS A 15 1.682 -12.975 -15.505 1.00 0.00 C ATOM 245 O LYS A 15 1.657 -14.102 -15.998 1.00 0.00 O ATOM 246 CB LYS A 15 1.677 -11.152 -17.306 1.00 0.00 C ATOM 247 CG LYS A 15 1.600 -11.980 -18.600 1.00 0.00 C ATOM 248 CD LYS A 15 2.285 -11.267 -19.773 1.00 0.00 C ATOM 249 CE LYS A 15 2.066 -12.058 -21.069 1.00 0.00 C ATOM 250 NZ LYS A 15 2.734 -11.410 -22.230 1.00 0.00 N ATOM 0 H LYS A 15 0.971 -9.948 -15.226 1.00 0.00 H new ATOM 0 HA LYS A 15 0.021 -12.302 -16.591 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.270 -10.157 -17.484 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.720 -11.023 -17.016 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.070 -12.950 -18.439 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.556 -12.169 -18.849 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.884 -10.259 -19.880 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.352 -11.166 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.451 -13.070 -20.947 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.997 -12.145 -21.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.564 -11.973 -23.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.349 -10.453 -22.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.757 -11.350 -22.053 1.00 0.00 H new ATOM 264 N GLN A 16 2.320 -12.708 -14.362 1.00 0.00 N ATOM 265 CA GLN A 16 3.062 -13.701 -13.594 1.00 0.00 C ATOM 266 C GLN A 16 2.159 -14.636 -12.789 1.00 0.00 C ATOM 267 O GLN A 16 2.397 -15.843 -12.742 1.00 0.00 O ATOM 268 CB GLN A 16 4.061 -13.014 -12.669 1.00 0.00 C ATOM 269 CG GLN A 16 5.433 -13.029 -13.351 1.00 0.00 C ATOM 270 CD GLN A 16 6.443 -12.271 -12.519 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.398 -12.800 -11.964 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.218 -10.990 -12.396 1.00 0.00 N ATOM 0 H GLN A 16 2.333 -11.779 -13.941 1.00 0.00 H new ATOM 0 HA GLN A 16 3.592 -14.321 -14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.749 -11.990 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.108 -13.529 -11.710 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.766 -14.058 -13.490 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.359 -12.581 -14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.418 -10.565 -12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.842 -10.414 -11.831 1.00 0.00 H new ATOM 281 N TYR A 17 1.091 -14.098 -12.197 1.00 0.00 N ATOM 282 CA TYR A 17 0.114 -14.883 -11.440 1.00 0.00 C ATOM 283 C TYR A 17 -0.546 -15.979 -12.276 1.00 0.00 C ATOM 284 O TYR A 17 -0.858 -17.052 -11.756 1.00 0.00 O ATOM 285 CB TYR A 17 -0.973 -13.952 -10.883 1.00 0.00 C ATOM 286 CG TYR A 17 -0.681 -13.324 -9.533 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.277 -14.114 -8.435 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.897 -11.945 -9.356 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.066 -13.518 -7.177 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.679 -11.344 -8.104 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.264 -12.131 -7.009 1.00 0.00 C ATOM 292 OH TYR A 17 -0.156 -11.575 -5.772 1.00 0.00 O ATOM 0 H TYR A 17 0.879 -13.101 -12.229 1.00 0.00 H new ATOM 0 HA TYR A 17 0.658 -15.373 -10.632 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.144 -13.153 -11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.903 -14.516 -10.806 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.130 -15.177 -8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.233 -11.344 -10.188 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.248 -14.123 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.829 -10.282 -7.981 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.321 -10.611 -5.831 1.00 0.00 H new ATOM 302 N ARG A 18 -0.728 -15.732 -13.579 1.00 0.00 N ATOM 303 CA ARG A 18 -1.355 -16.697 -14.490 1.00 0.00 C ATOM 304 C ARG A 18 -0.458 -17.906 -14.798 1.00 0.00 C ATOM 305 O ARG A 18 -0.958 -18.935 -15.249 1.00 0.00 O ATOM 306 CB ARG A 18 -1.891 -15.966 -15.730 1.00 0.00 C ATOM 307 CG ARG A 18 -3.283 -16.475 -16.153 1.00 0.00 C ATOM 308 CD ARG A 18 -4.081 -15.418 -16.929 1.00 0.00 C ATOM 309 NE ARG A 18 -3.446 -15.041 -18.206 1.00 0.00 N ATOM 310 CZ ARG A 18 -3.737 -13.982 -18.941 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.643 -13.113 -18.584 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.118 -13.772 -20.067 1.00 0.00 N ATOM 0 H ARG A 18 -0.446 -14.862 -14.030 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.212 -17.146 -13.989 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.945 -14.897 -15.524 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.192 -16.097 -16.556 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.169 -17.366 -16.770 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.844 -16.771 -15.266 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.083 -15.799 -17.126 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.195 -14.529 -16.309 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.712 -15.657 -18.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.154 -13.239 -17.711 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.840 -12.308 -19.178 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.404 -14.427 -20.386 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.347 -12.953 -20.630 1.00 0.00 H new ATOM 326 N GLU A 19 0.840 -17.824 -14.485 1.00 0.00 N ATOM 327 CA GLU A 19 1.754 -18.976 -14.482 1.00 0.00 C ATOM 328 C GLU A 19 1.581 -19.897 -13.251 1.00 0.00 C ATOM 329 O GLU A 19 1.774 -21.109 -13.333 1.00 0.00 O ATOM 330 CB GLU A 19 3.195 -18.441 -14.476 1.00 0.00 C ATOM 331 CG GLU A 19 4.170 -19.278 -15.316 1.00 0.00 C ATOM 332 CD GLU A 19 4.005 -18.997 -16.825 1.00 0.00 C ATOM 333 OE1 GLU A 19 3.153 -19.639 -17.485 1.00 0.00 O ATOM 334 OE2 GLU A 19 4.737 -18.130 -17.367 1.00 0.00 O ATOM 0 H GLU A 19 1.292 -16.948 -14.224 1.00 0.00 H new ATOM 0 HA GLU A 19 1.528 -19.571 -15.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.194 -17.417 -14.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.555 -18.404 -13.448 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.194 -19.057 -15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.002 -20.337 -15.122 1.00 0.00 H new ATOM 341 N ALA A 20 1.257 -19.323 -12.087 1.00 0.00 N ATOM 342 CA ALA A 20 1.501 -19.929 -10.771 1.00 0.00 C ATOM 343 C ALA A 20 0.528 -21.060 -10.397 1.00 0.00 C ATOM 344 O ALA A 20 0.843 -21.900 -9.548 1.00 0.00 O ATOM 345 CB ALA A 20 1.477 -18.809 -9.721 1.00 0.00 C ATOM 0 H ALA A 20 0.810 -18.408 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 20 2.476 -20.416 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.656 -19.233 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.254 -18.080 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.504 -18.318 -9.735 1.00 0.00 H new ATOM 351 N LEU A 21 -0.636 -21.131 -11.048 1.00 0.00 N ATOM 352 CA LEU A 21 -1.592 -22.232 -10.892 1.00 0.00 C ATOM 353 C LEU A 21 -0.997 -23.564 -11.357 1.00 0.00 C ATOM 354 O LEU A 21 -1.431 -24.606 -10.876 1.00 0.00 O ATOM 355 CB LEU A 21 -2.912 -21.858 -11.584 1.00 0.00 C ATOM 356 CG LEU A 21 -4.122 -22.726 -11.172 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.388 -21.871 -11.088 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.405 -23.855 -12.166 1.00 0.00 C ATOM 0 H LEU A 21 -0.946 -20.417 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.815 -22.385 -9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.139 -20.814 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.776 -21.936 -12.663 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.864 -23.156 -10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.231 -22.497 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.247 -21.084 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.589 -21.422 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.265 -24.432 -11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.617 -23.431 -13.147 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.534 -24.507 -12.233 1.00 0.00 H new ATOM 370 N GLU A 22 0.053 -23.552 -12.191 1.00 0.00 N ATOM 371 CA GLU A 22 0.749 -24.796 -12.560 1.00 0.00 C ATOM 372 C GLU A 22 1.415 -25.519 -11.382 1.00 0.00 C ATOM 373 O GLU A 22 1.501 -26.750 -11.387 1.00 0.00 O ATOM 374 CB GLU A 22 1.815 -24.515 -13.623 1.00 0.00 C ATOM 375 CG GLU A 22 1.235 -24.434 -15.040 1.00 0.00 C ATOM 376 CD GLU A 22 2.339 -24.594 -16.104 1.00 0.00 C ATOM 377 OE1 GLU A 22 3.189 -23.684 -16.260 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.366 -25.640 -16.800 1.00 0.00 O ATOM 0 H GLU A 22 0.436 -22.708 -12.618 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.029 -25.455 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.318 -23.577 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.571 -25.300 -13.589 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.483 -25.212 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.732 -23.477 -15.176 1.00 0.00 H new ATOM 385 N TYR A 23 1.840 -24.770 -10.362 1.00 0.00 N ATOM 386 CA TYR A 23 2.457 -25.317 -9.146 1.00 0.00 C ATOM 387 C TYR A 23 1.519 -25.301 -7.933 1.00 0.00 C ATOM 388 O TYR A 23 1.552 -26.232 -7.126 1.00 0.00 O ATOM 389 CB TYR A 23 3.754 -24.556 -8.841 1.00 0.00 C ATOM 390 CG TYR A 23 4.855 -24.816 -9.850 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.530 -26.054 -9.838 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.194 -23.841 -10.809 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.540 -26.321 -10.782 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.207 -24.102 -11.752 1.00 0.00 C ATOM 395 CZ TYR A 23 6.882 -25.343 -11.743 1.00 0.00 C ATOM 396 OH TYR A 23 7.859 -25.592 -12.659 1.00 0.00 O ATOM 0 H TYR A 23 1.765 -23.753 -10.355 1.00 0.00 H new ATOM 0 HA TYR A 23 2.680 -26.366 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.542 -23.487 -8.813 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.107 -24.837 -7.849 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.271 -26.800 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.677 -22.893 -10.821 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.052 -27.272 -10.772 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.468 -23.352 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 23 7.965 -24.813 -13.244 1.00 0.00 H new ATOM 406 N THR A 24 0.658 -24.286 -7.802 1.00 0.00 N ATOM 407 CA THR A 24 -0.244 -24.157 -6.642 1.00 0.00 C ATOM 408 C THR A 24 -1.561 -24.919 -6.788 1.00 0.00 C ATOM 409 O THR A 24 -2.099 -25.367 -5.778 1.00 0.00 O ATOM 410 CB THR A 24 -0.586 -22.695 -6.331 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.289 -22.146 -7.412 1.00 0.00 O ATOM 412 CG2 THR A 24 0.630 -21.812 -6.056 1.00 0.00 C ATOM 0 H THR A 24 0.563 -23.536 -8.487 1.00 0.00 H new ATOM 0 HA THR A 24 0.326 -24.599 -5.825 1.00 0.00 H new ATOM 0 HB THR A 24 -1.181 -22.714 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.659 -21.904 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.301 -20.795 -5.845 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.176 -22.202 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.282 -21.809 -6.929 1.00 0.00 H new ATOM 420 N HIS A 25 -2.094 -25.071 -8.010 1.00 0.00 N ATOM 421 CA HIS A 25 -3.428 -25.636 -8.312 1.00 0.00 C ATOM 422 C HIS A 25 -4.553 -25.180 -7.343 1.00 0.00 C ATOM 423 O HIS A 25 -5.393 -25.984 -6.929 1.00 0.00 O ATOM 424 CB HIS A 25 -3.303 -27.166 -8.475 1.00 0.00 C ATOM 425 CG HIS A 25 -2.693 -27.569 -9.796 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.398 -27.968 -10.919 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.365 -27.556 -10.128 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.515 -28.192 -11.912 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.271 -27.958 -11.447 1.00 0.00 N ATOM 0 H HIS A 25 -1.591 -24.794 -8.853 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.767 -25.221 -9.261 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.694 -27.564 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.291 -27.618 -8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.545 -27.283 -9.481 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.763 -28.507 -12.915 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.407 -28.060 -11.979 1.00 0.00 H new ATOM 438 N ASN A 26 -4.570 -23.896 -6.959 1.00 0.00 N ATOM 439 CA ASN A 26 -5.475 -23.339 -5.935 1.00 0.00 C ATOM 440 C ASN A 26 -6.528 -22.364 -6.511 1.00 0.00 C ATOM 441 O ASN A 26 -6.230 -21.629 -7.457 1.00 0.00 O ATOM 442 CB ASN A 26 -4.629 -22.640 -4.848 1.00 0.00 C ATOM 443 CG ASN A 26 -4.449 -23.502 -3.615 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.245 -23.476 -2.689 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.401 -24.283 -3.556 1.00 0.00 N ATOM 0 H ASN A 26 -3.943 -23.198 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.039 -24.168 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.651 -22.388 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.107 -21.702 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.248 -24.871 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.737 -24.304 -4.330 1.00 0.00 H new ATOM 452 N PRO A 27 -7.723 -22.259 -5.886 1.00 0.00 N ATOM 453 CA PRO A 27 -8.776 -21.308 -6.268 1.00 0.00 C ATOM 454 C PRO A 27 -8.488 -19.857 -5.836 1.00 0.00 C ATOM 455 O PRO A 27 -9.309 -18.968 -6.058 1.00 0.00 O ATOM 456 CB PRO A 27 -10.043 -21.842 -5.585 1.00 0.00 C ATOM 457 CG PRO A 27 -9.503 -22.455 -4.296 1.00 0.00 C ATOM 458 CD PRO A 27 -8.176 -23.059 -4.749 1.00 0.00 C ATOM 0 HA PRO A 27 -8.862 -21.249 -7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.760 -21.046 -5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.553 -22.582 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.363 -21.705 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.177 -23.211 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.444 -23.036 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.302 -24.103 -5.035 1.00 0.00 H new ATOM 466 N VAL A 28 -7.342 -19.589 -5.199 1.00 0.00 N ATOM 467 CA VAL A 28 -7.002 -18.293 -4.610 1.00 0.00 C ATOM 468 C VAL A 28 -6.368 -17.377 -5.653 1.00 0.00 C ATOM 469 O VAL A 28 -6.634 -16.182 -5.656 1.00 0.00 O ATOM 470 CB VAL A 28 -6.108 -18.520 -3.383 1.00 0.00 C ATOM 471 CG1 VAL A 28 -5.841 -17.212 -2.660 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.747 -19.475 -2.361 1.00 0.00 C ATOM 0 H VAL A 28 -6.608 -20.287 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.904 -17.783 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.185 -18.956 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.206 -17.398 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.340 -16.519 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.785 -16.779 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.075 -19.602 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.693 -19.058 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.927 -20.442 -2.830 1.00 0.00 H new ATOM 482 N LEU A 29 -5.638 -17.918 -6.633 1.00 0.00 N ATOM 483 CA LEU A 29 -5.199 -17.171 -7.815 1.00 0.00 C ATOM 484 C LEU A 29 -6.390 -16.655 -8.646 1.00 0.00 C ATOM 485 O LEU A 29 -6.358 -15.523 -9.128 1.00 0.00 O ATOM 486 CB LEU A 29 -4.278 -18.081 -8.637 1.00 0.00 C ATOM 487 CG LEU A 29 -2.937 -18.385 -7.951 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.216 -19.468 -8.736 1.00 0.00 C ATOM 489 CD2 LEU A 29 -2.016 -17.172 -7.867 1.00 0.00 C ATOM 0 H LEU A 29 -5.334 -18.891 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.652 -16.281 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.794 -19.020 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.084 -17.611 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.168 -18.699 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.263 -19.691 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.829 -20.369 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.038 -19.122 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.087 -17.454 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.797 -16.811 -8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.505 -16.382 -7.297 1.00 0.00 H new ATOM 501 N ALA A 30 -7.483 -17.428 -8.696 1.00 0.00 N ATOM 502 CA ALA A 30 -8.789 -17.032 -9.239 1.00 0.00 C ATOM 503 C ALA A 30 -9.546 -15.975 -8.387 1.00 0.00 C ATOM 504 O ALA A 30 -10.691 -15.638 -8.697 1.00 0.00 O ATOM 505 CB ALA A 30 -9.623 -18.300 -9.470 1.00 0.00 C ATOM 0 H ALA A 30 -7.481 -18.386 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.615 -16.520 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.598 -18.026 -9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.108 -18.951 -10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.757 -18.825 -8.524 1.00 0.00 H new ATOM 511 N LYS A 31 -8.901 -15.421 -7.349 1.00 0.00 N ATOM 512 CA LYS A 31 -9.299 -14.225 -6.596 1.00 0.00 C ATOM 513 C LYS A 31 -8.219 -13.141 -6.647 1.00 0.00 C ATOM 514 O LYS A 31 -8.541 -11.981 -6.890 1.00 0.00 O ATOM 515 CB LYS A 31 -9.629 -14.578 -5.133 1.00 0.00 C ATOM 516 CG LYS A 31 -10.743 -15.625 -4.963 1.00 0.00 C ATOM 517 CD LYS A 31 -10.973 -15.929 -3.475 1.00 0.00 C ATOM 518 CE LYS A 31 -12.074 -16.984 -3.314 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.321 -17.305 -1.883 1.00 0.00 N ATOM 0 H LYS A 31 -8.034 -15.822 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.197 -13.830 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.725 -14.947 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.921 -13.667 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.666 -15.259 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.473 -16.540 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.048 -16.286 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.254 -15.017 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.995 -16.622 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.790 -17.891 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.071 -18.022 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.448 -17.674 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.616 -16.444 -1.380 1.00 0.00 H new ATOM 533 N ILE A 32 -6.943 -13.513 -6.505 1.00 0.00 N ATOM 534 CA ILE A 32 -5.817 -12.569 -6.487 1.00 0.00 C ATOM 535 C ILE A 32 -5.677 -11.859 -7.836 1.00 0.00 C ATOM 536 O ILE A 32 -5.920 -10.657 -7.926 1.00 0.00 O ATOM 537 CB ILE A 32 -4.485 -13.238 -6.071 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.482 -13.871 -4.661 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.396 -12.155 -6.084 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.388 -14.945 -4.520 1.00 0.00 C ATOM 0 H ILE A 32 -6.658 -14.487 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.044 -11.824 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.318 -14.050 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.326 -13.093 -3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.457 -14.316 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.442 -12.595 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.313 -11.735 -7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.660 -11.365 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.419 -15.366 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.559 -15.736 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.411 -14.494 -4.695 1.00 0.00 H new ATOM 552 N LEU A 33 -5.322 -12.586 -8.901 1.00 0.00 N ATOM 553 CA LEU A 33 -5.139 -11.976 -10.224 1.00 0.00 C ATOM 554 C LEU A 33 -6.481 -11.602 -10.864 1.00 0.00 C ATOM 555 O LEU A 33 -6.529 -10.699 -11.692 1.00 0.00 O ATOM 556 CB LEU A 33 -4.245 -12.863 -11.109 1.00 0.00 C ATOM 557 CG LEU A 33 -4.985 -13.872 -12.006 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.100 -13.401 -13.456 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.321 -15.249 -12.022 1.00 0.00 C ATOM 0 H LEU A 33 -5.156 -13.592 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.609 -11.031 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.638 -12.217 -11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.559 -13.413 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.977 -13.946 -11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.630 -14.152 -14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.649 -12.460 -13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.103 -13.255 -13.871 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.886 -15.918 -12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.301 -15.157 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.301 -15.655 -11.011 1.00 0.00 H new ATOM 571 N GLU A 34 -7.572 -12.251 -10.439 1.00 0.00 N ATOM 572 CA GLU A 34 -8.932 -11.825 -10.764 1.00 0.00 C ATOM 573 C GLU A 34 -9.141 -10.359 -10.355 1.00 0.00 C ATOM 574 O GLU A 34 -9.675 -9.575 -11.139 1.00 0.00 O ATOM 575 CB GLU A 34 -9.939 -12.790 -10.117 1.00 0.00 C ATOM 576 CG GLU A 34 -11.383 -12.289 -9.941 1.00 0.00 C ATOM 577 CD GLU A 34 -12.070 -11.801 -11.231 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.912 -12.436 -12.302 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.820 -10.797 -11.148 1.00 0.00 O ATOM 0 H GLU A 34 -7.532 -13.089 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.097 -11.867 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.968 -13.699 -10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.556 -13.068 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.980 -13.094 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.382 -11.473 -9.218 1.00 0.00 H new ATOM 586 N ASP A 35 -8.645 -9.953 -9.181 1.00 0.00 N ATOM 587 CA ASP A 35 -8.633 -8.549 -8.783 1.00 0.00 C ATOM 588 C ASP A 35 -7.567 -7.700 -9.473 1.00 0.00 C ATOM 589 O ASP A 35 -7.913 -6.637 -9.988 1.00 0.00 O ATOM 590 CB ASP A 35 -8.505 -8.461 -7.268 1.00 0.00 C ATOM 591 CG ASP A 35 -9.694 -9.038 -6.480 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.834 -9.091 -7.017 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.465 -9.397 -5.300 1.00 0.00 O ATOM 0 H ASP A 35 -8.245 -10.586 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.580 -8.123 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.599 -8.985 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.377 -7.415 -6.989 1.00 0.00 H new ATOM 598 N GLU A 36 -6.307 -8.139 -9.576 1.00 0.00 N ATOM 599 CA GLU A 36 -5.282 -7.366 -10.289 1.00 0.00 C ATOM 600 C GLU A 36 -5.660 -7.057 -11.751 1.00 0.00 C ATOM 601 O GLU A 36 -5.227 -6.038 -12.287 1.00 0.00 O ATOM 602 CB GLU A 36 -3.922 -8.083 -10.235 1.00 0.00 C ATOM 603 CG GLU A 36 -3.377 -8.473 -8.849 1.00 0.00 C ATOM 604 CD GLU A 36 -3.010 -7.311 -7.926 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.521 -6.174 -8.084 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.219 -7.478 -6.958 1.00 0.00 O ATOM 0 H GLU A 36 -5.974 -9.017 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.211 -6.409 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.996 -8.990 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.185 -7.442 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.123 -9.089 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.492 -9.094 -8.989 1.00 0.00 H new ATOM 613 N GLU A 37 -6.518 -7.871 -12.377 1.00 0.00 N ATOM 614 CA GLU A 37 -6.975 -7.661 -13.762 1.00 0.00 C ATOM 615 C GLU A 37 -7.916 -6.449 -13.876 1.00 0.00 C ATOM 616 O GLU A 37 -7.929 -5.747 -14.890 1.00 0.00 O ATOM 617 CB GLU A 37 -7.651 -8.942 -14.278 1.00 0.00 C ATOM 618 CG GLU A 37 -7.869 -8.933 -15.797 1.00 0.00 C ATOM 619 CD GLU A 37 -8.347 -10.309 -16.304 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.577 -10.554 -16.340 1.00 0.00 O ATOM 621 OE2 GLU A 37 -7.496 -11.146 -16.698 1.00 0.00 O ATOM 0 H GLU A 37 -6.919 -8.699 -11.937 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.107 -7.441 -14.383 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.039 -9.803 -14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.612 -9.066 -13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.605 -8.172 -16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.940 -8.661 -16.298 1.00 0.00 H new ATOM 628 N LYS A 38 -8.665 -6.176 -12.801 1.00 0.00 N ATOM 629 CA LYS A 38 -9.529 -4.999 -12.630 1.00 0.00 C ATOM 630 C LYS A 38 -8.748 -3.794 -12.132 1.00 0.00 C ATOM 631 O LYS A 38 -8.965 -2.702 -12.638 1.00 0.00 O ATOM 632 CB LYS A 38 -10.668 -5.327 -11.645 1.00 0.00 C ATOM 633 CG LYS A 38 -11.559 -6.463 -12.167 1.00 0.00 C ATOM 634 CD LYS A 38 -12.637 -6.940 -11.185 1.00 0.00 C ATOM 635 CE LYS A 38 -11.981 -7.574 -9.953 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.804 -8.641 -9.334 1.00 0.00 N ATOM 0 H LYS A 38 -8.687 -6.795 -11.991 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.945 -4.746 -13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.245 -5.609 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.274 -4.436 -11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.045 -6.132 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.926 -7.311 -12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.262 -6.100 -10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.290 -7.664 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.014 -7.990 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.788 -6.798 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.346 -8.970 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.748 -8.266 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.896 -9.437 -9.997 1.00 0.00 H new ATOM 650 N HIS A 39 -7.823 -3.979 -11.189 1.00 0.00 N ATOM 651 CA HIS A 39 -7.113 -2.932 -10.463 1.00 0.00 C ATOM 652 C HIS A 39 -6.462 -1.853 -11.342 1.00 0.00 C ATOM 653 O HIS A 39 -6.624 -0.666 -11.056 1.00 0.00 O ATOM 654 CB HIS A 39 -6.062 -3.632 -9.616 1.00 0.00 C ATOM 655 CG HIS A 39 -6.513 -4.210 -8.306 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.627 -4.467 -7.255 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.787 -4.539 -7.932 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.407 -4.927 -6.256 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.698 -4.970 -6.630 1.00 0.00 N ATOM 0 H HIS A 39 -7.536 -4.913 -10.898 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.841 -2.380 -9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.630 -4.437 -10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.261 -2.920 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.680 -4.473 -8.536 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.043 -5.222 -5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.479 -5.271 -6.047 1.00 0.00 H new ATOM 667 N ILE A 40 -5.763 -2.242 -12.416 1.00 0.00 N ATOM 668 CA ILE A 40 -5.170 -1.281 -13.373 1.00 0.00 C ATOM 669 C ILE A 40 -6.230 -0.366 -13.987 1.00 0.00 C ATOM 670 O ILE A 40 -6.065 0.850 -13.977 1.00 0.00 O ATOM 671 CB ILE A 40 -4.380 -2.014 -14.482 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.123 -2.628 -13.849 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.956 -1.084 -15.637 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.271 -3.418 -14.838 1.00 0.00 C ATOM 0 H ILE A 40 -5.590 -3.220 -12.650 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.476 -0.656 -12.811 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.034 -2.774 -14.909 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.518 -1.832 -13.414 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.421 -3.285 -13.032 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.406 -1.658 -16.383 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.843 -0.647 -16.097 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.320 -0.289 -15.249 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.400 -3.824 -14.324 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.860 -4.235 -15.254 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.944 -2.760 -15.643 1.00 0.00 H new ATOM 686 N GLU A 41 -7.325 -0.924 -14.505 1.00 0.00 N ATOM 687 CA GLU A 41 -8.409 -0.114 -15.069 1.00 0.00 C ATOM 688 C GLU A 41 -9.193 0.632 -13.984 1.00 0.00 C ATOM 689 O GLU A 41 -9.601 1.771 -14.200 1.00 0.00 O ATOM 690 CB GLU A 41 -9.323 -0.967 -15.961 1.00 0.00 C ATOM 691 CG GLU A 41 -8.597 -1.369 -17.255 1.00 0.00 C ATOM 692 CD GLU A 41 -9.535 -2.104 -18.233 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.402 -1.447 -18.858 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.397 -3.340 -18.405 1.00 0.00 O ATOM 0 H GLU A 41 -7.486 -1.930 -14.546 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.956 0.651 -15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.636 -1.861 -15.421 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.227 -0.408 -16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.194 -0.478 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.750 -2.011 -17.012 1.00 0.00 H new ATOM 701 N TRP A 42 -9.332 0.054 -12.790 1.00 0.00 N ATOM 702 CA TRP A 42 -9.921 0.690 -11.608 1.00 0.00 C ATOM 703 C TRP A 42 -9.217 1.984 -11.152 1.00 0.00 C ATOM 704 O TRP A 42 -9.909 2.913 -10.739 1.00 0.00 O ATOM 705 CB TRP A 42 -10.009 -0.381 -10.503 1.00 0.00 C ATOM 706 CG TRP A 42 -11.223 -1.259 -10.514 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.199 -1.271 -11.452 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.606 -2.271 -9.530 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.172 -2.184 -11.099 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.860 -2.830 -9.920 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.017 -2.779 -8.350 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.504 -3.826 -9.170 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.644 -3.792 -7.600 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.887 -4.312 -8.004 1.00 0.00 C ATOM 0 H TRP A 42 -9.027 -0.903 -12.612 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.917 1.050 -11.864 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.127 -1.018 -10.575 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.961 0.122 -9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.214 -0.659 -12.342 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.017 -2.360 -11.642 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.069 -2.383 -8.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.461 -4.214 -9.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.168 -4.172 -6.709 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.367 -5.083 -7.419 1.00 0.00 H new ATOM 725 N LEU A 43 -7.891 2.114 -11.296 1.00 0.00 N ATOM 726 CA LEU A 43 -7.151 3.371 -11.046 1.00 0.00 C ATOM 727 C LEU A 43 -6.923 4.252 -12.288 1.00 0.00 C ATOM 728 O LEU A 43 -6.497 5.391 -12.127 1.00 0.00 O ATOM 729 CB LEU A 43 -5.865 3.098 -10.250 1.00 0.00 C ATOM 730 CG LEU A 43 -4.821 2.287 -11.026 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.786 3.170 -11.724 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.069 1.352 -10.092 1.00 0.00 C ATOM 0 H LEU A 43 -7.290 1.345 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.806 3.985 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.424 4.049 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.121 2.563 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.377 1.729 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.072 2.542 -12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.288 3.830 -12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.258 3.769 -10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.332 0.785 -10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.563 1.936 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.772 0.665 -9.622 1.00 0.00 H new ATOM 744 N GLU A 44 -7.237 3.786 -13.501 1.00 0.00 N ATOM 745 CA GLU A 44 -7.189 4.578 -14.743 1.00 0.00 C ATOM 746 C GLU A 44 -8.533 5.227 -15.075 1.00 0.00 C ATOM 747 O GLU A 44 -8.571 6.369 -15.534 1.00 0.00 O ATOM 748 CB GLU A 44 -6.799 3.650 -15.906 1.00 0.00 C ATOM 749 CG GLU A 44 -5.492 4.047 -16.597 1.00 0.00 C ATOM 750 CD GLU A 44 -5.689 5.193 -17.609 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.236 4.946 -18.712 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.273 6.341 -17.324 1.00 0.00 O ATOM 0 H GLU A 44 -7.540 2.824 -13.655 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.458 5.374 -14.598 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.706 2.631 -15.531 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.603 3.647 -16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.764 4.351 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.077 3.180 -17.110 1.00 0.00 H new ATOM 759 N THR A 45 -9.639 4.525 -14.806 1.00 0.00 N ATOM 760 CA THR A 45 -11.008 5.012 -15.007 1.00 0.00 C ATOM 761 C THR A 45 -11.226 6.378 -14.349 1.00 0.00 C ATOM 762 O THR A 45 -11.855 7.268 -14.925 1.00 0.00 O ATOM 763 CB THR A 45 -12.026 3.980 -14.497 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.941 2.795 -15.258 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.477 4.451 -14.592 1.00 0.00 C ATOM 0 H THR A 45 -9.606 3.577 -14.432 1.00 0.00 H new ATOM 0 HA THR A 45 -11.161 5.145 -16.078 1.00 0.00 H new ATOM 0 HB THR A 45 -11.772 3.823 -13.449 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.138 2.297 -14.999 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.138 3.671 -14.214 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.606 5.355 -13.997 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.723 4.663 -15.632 1.00 0.00 H new ATOM 773 N ILE A 46 -10.641 6.565 -13.161 1.00 0.00 N ATOM 774 CA ILE A 46 -10.718 7.807 -12.373 1.00 0.00 C ATOM 775 C ILE A 46 -10.056 9.004 -13.072 1.00 0.00 C ATOM 776 O ILE A 46 -10.513 10.141 -12.938 1.00 0.00 O ATOM 777 CB ILE A 46 -10.088 7.601 -10.971 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.458 6.262 -10.292 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.451 8.762 -10.026 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.941 5.857 -10.367 1.00 0.00 C ATOM 0 H ILE A 46 -10.086 5.840 -12.706 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.778 8.041 -12.271 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.013 7.576 -11.152 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.862 5.470 -10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.169 6.317 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.997 8.592 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.080 9.699 -10.441 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.534 8.817 -9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.084 4.903 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.551 6.620 -9.885 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.239 5.760 -11.411 1.00 0.00 H new ATOM 792 N LEU A 47 -8.978 8.758 -13.823 1.00 0.00 N ATOM 793 CA LEU A 47 -8.084 9.795 -14.347 1.00 0.00 C ATOM 794 C LEU A 47 -8.634 10.543 -15.578 1.00 0.00 C ATOM 795 O LEU A 47 -8.089 11.581 -15.964 1.00 0.00 O ATOM 796 CB LEU A 47 -6.695 9.193 -14.644 1.00 0.00 C ATOM 797 CG LEU A 47 -6.108 8.333 -13.509 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.706 7.846 -13.880 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.042 9.061 -12.163 1.00 0.00 C ATOM 0 H LEU A 47 -8.697 7.814 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.002 10.551 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.764 8.583 -15.545 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.001 10.005 -14.861 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.789 7.490 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.305 7.240 -13.068 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.758 7.247 -14.789 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.055 8.704 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.619 8.396 -11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.414 9.947 -12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.046 9.359 -11.861 1.00 0.00 H new ATOM 811 N GLY A 48 -9.708 10.034 -16.191 1.00 0.00 N ATOM 812 CA GLY A 48 -10.393 10.660 -17.330 1.00 0.00 C ATOM 813 C GLY A 48 -11.325 9.724 -18.115 1.00 0.00 C ATOM 814 O GLY A 48 -12.208 10.185 -18.838 1.00 0.00 O ATOM 0 H GLY A 48 -10.136 9.154 -15.903 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.975 11.507 -16.965 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.643 11.059 -18.013 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.175 8.409 -17.985 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.773 -18.887 -6.619 1.00 0.00 C HETATM 823 O ACE B 0 10.089 -18.334 -5.761 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.674 -20.379 -6.828 1.00 0.00 C HETATM 0 H1 ACE B 0 10.354 -20.583 -7.850 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.648 -20.836 -6.655 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.948 -20.797 -6.130 1.00 0.00 H new ATOM 828 N ASP B 1 11.610 -18.234 -7.423 1.00 0.00 N ATOM 829 CA ASP B 1 11.877 -16.783 -7.376 1.00 0.00 C ATOM 830 C ASP B 1 10.612 -15.912 -7.470 1.00 0.00 C ATOM 831 O ASP B 1 10.545 -14.819 -6.904 1.00 0.00 O ATOM 832 CB ASP B 1 12.842 -16.436 -8.517 1.00 0.00 C ATOM 833 CG ASP B 1 13.387 -15.000 -8.410 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.146 -14.711 -7.455 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.092 -14.171 -9.304 1.00 0.00 O ATOM 0 H ASP B 1 12.143 -18.709 -8.152 1.00 0.00 H new ATOM 0 HA ASP B 1 12.312 -16.561 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.675 -17.139 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.330 -16.557 -9.472 1.00 0.00 H new ATOM 840 N TYR B 2 9.583 -16.434 -8.140 1.00 0.00 N ATOM 841 CA TYR B 2 8.261 -15.815 -8.262 1.00 0.00 C ATOM 842 C TYR B 2 7.659 -15.446 -6.907 1.00 0.00 C ATOM 843 O TYR B 2 7.106 -14.365 -6.763 1.00 0.00 O ATOM 844 CB TYR B 2 7.276 -16.759 -8.976 1.00 0.00 C ATOM 845 CG TYR B 2 7.867 -17.651 -10.047 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.473 -17.090 -11.185 1.00 0.00 C ATOM 847 CD2 TYR B 2 7.835 -19.051 -9.879 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.055 -17.928 -12.154 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.410 -19.891 -10.849 1.00 0.00 C ATOM 850 CZ TYR B 2 9.025 -19.333 -11.992 1.00 0.00 C ATOM 851 OH TYR B 2 9.586 -20.150 -12.925 1.00 0.00 O ATOM 0 H TYR B 2 9.648 -17.327 -8.628 1.00 0.00 H new ATOM 0 HA TYR B 2 8.411 -14.905 -8.842 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.802 -17.392 -8.226 1.00 0.00 H new ATOM 0 HB3 TYR B 2 6.489 -16.156 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.492 -16.018 -11.315 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.368 -19.479 -9.004 1.00 0.00 H new ATOM 0 HE1 TYR B 2 9.526 -17.497 -13.025 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.382 -20.963 -10.720 1.00 0.00 H new ATOM 0 HH TYR B 2 9.474 -21.084 -12.651 1.00 0.00 H new ATOM 861 N LEU B 3 7.770 -16.329 -5.910 1.00 0.00 N ATOM 862 CA LEU B 3 7.133 -16.173 -4.597 1.00 0.00 C ATOM 863 C LEU B 3 7.711 -14.984 -3.817 1.00 0.00 C ATOM 864 O LEU B 3 6.965 -14.218 -3.204 1.00 0.00 O ATOM 865 CB LEU B 3 7.278 -17.480 -3.799 1.00 0.00 C ATOM 866 CG LEU B 3 6.558 -18.675 -4.449 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.888 -19.953 -3.679 1.00 0.00 C ATOM 868 CD2 LEU B 3 5.039 -18.490 -4.487 1.00 0.00 C ATOM 0 H LEU B 3 8.314 -17.188 -5.993 1.00 0.00 H new ATOM 0 HA LEU B 3 6.075 -15.961 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.337 -17.717 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.883 -17.330 -2.794 1.00 0.00 H new ATOM 0 HG LEU B 3 6.910 -18.745 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.377 -20.798 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.964 -20.123 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.558 -19.850 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.578 -19.360 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.660 -18.381 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.796 -17.597 -5.063 1.00 0.00 H new ATOM 880 N ARG B 4 9.034 -14.792 -3.906 1.00 0.00 N ATOM 881 CA ARG B 4 9.740 -13.606 -3.397 1.00 0.00 C ATOM 882 C ARG B 4 9.263 -12.333 -4.100 1.00 0.00 C ATOM 883 O ARG B 4 8.966 -11.342 -3.434 1.00 0.00 O ATOM 884 CB ARG B 4 11.258 -13.819 -3.564 1.00 0.00 C ATOM 885 CG ARG B 4 12.130 -12.676 -3.002 1.00 0.00 C ATOM 886 CD ARG B 4 13.080 -13.147 -1.893 1.00 0.00 C ATOM 887 NE ARG B 4 12.344 -13.530 -0.671 1.00 0.00 N ATOM 888 CZ ARG B 4 12.762 -14.337 0.289 1.00 0.00 C ATOM 889 NH1 ARG B 4 13.934 -14.908 0.260 1.00 0.00 N ATOM 890 NH2 ARG B 4 12.000 -14.586 1.315 1.00 0.00 N ATOM 0 H ARG B 4 9.658 -15.471 -4.343 1.00 0.00 H new ATOM 0 HA ARG B 4 9.516 -13.476 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.538 -14.749 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.481 -13.941 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.713 -12.237 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.484 -11.890 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.662 -13.997 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.788 -12.352 -1.658 1.00 0.00 H new ATOM 0 HE ARG B 4 11.413 -13.129 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.565 -14.738 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.220 -15.525 1.021 1.00 0.00 H new ATOM 0 HH21 ARG B 4 11.077 -14.158 1.380 1.00 0.00 H new ATOM 0 HH22 ARG B 4 12.327 -15.209 2.053 1.00 0.00 H new ATOM 904 N GLU B 5 9.145 -12.367 -5.428 1.00 0.00 N ATOM 905 CA GLU B 5 8.713 -11.210 -6.227 1.00 0.00 C ATOM 906 C GLU B 5 7.245 -10.824 -5.944 1.00 0.00 C ATOM 907 O GLU B 5 6.916 -9.644 -5.798 1.00 0.00 O ATOM 908 CB GLU B 5 8.939 -11.540 -7.710 1.00 0.00 C ATOM 909 CG GLU B 5 8.679 -10.372 -8.667 1.00 0.00 C ATOM 910 CD GLU B 5 9.693 -9.224 -8.480 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.864 -9.366 -8.910 1.00 0.00 O ATOM 912 OE2 GLU B 5 9.333 -8.168 -7.906 1.00 0.00 O ATOM 0 H GLU B 5 9.346 -13.198 -5.985 1.00 0.00 H new ATOM 0 HA GLU B 5 9.305 -10.338 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU B 5 9.967 -11.879 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.291 -12.372 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.725 -10.731 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.670 -9.992 -8.507 1.00 0.00 H new ATOM 919 N LEU B 6 6.379 -11.830 -5.800 1.00 0.00 N ATOM 920 CA LEU B 6 4.966 -11.732 -5.432 1.00 0.00 C ATOM 921 C LEU B 6 4.757 -11.005 -4.099 1.00 0.00 C ATOM 922 O LEU B 6 4.044 -10.007 -4.030 1.00 0.00 O ATOM 923 CB LEU B 6 4.401 -13.169 -5.363 1.00 0.00 C ATOM 924 CG LEU B 6 3.472 -13.532 -6.525 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.066 -13.347 -7.926 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.040 -14.996 -6.402 1.00 0.00 C ATOM 0 H LEU B 6 6.666 -12.798 -5.947 1.00 0.00 H new ATOM 0 HA LEU B 6 4.441 -11.141 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.232 -13.874 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.857 -13.290 -4.426 1.00 0.00 H new ATOM 0 HG LEU B 6 2.640 -12.833 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.327 -13.632 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.343 -12.303 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.951 -13.975 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.379 -15.251 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.920 -15.639 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.513 -15.142 -5.459 1.00 0.00 H new ATOM 938 N LEU B 7 5.392 -11.508 -3.042 1.00 0.00 N ATOM 939 CA LEU B 7 5.323 -10.995 -1.687 1.00 0.00 C ATOM 940 C LEU B 7 5.910 -9.562 -1.560 1.00 0.00 C ATOM 941 O LEU B 7 5.266 -8.666 -1.006 1.00 0.00 O ATOM 942 CB LEU B 7 6.051 -12.046 -0.831 1.00 0.00 C ATOM 943 CG LEU B 7 6.349 -11.591 0.592 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.107 -11.211 1.396 1.00 0.00 C ATOM 945 CD2 LEU B 7 7.104 -12.679 1.353 1.00 0.00 C ATOM 0 H LEU B 7 5.997 -12.325 -3.118 1.00 0.00 H new ATOM 0 HA LEU B 7 4.295 -10.864 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.444 -12.951 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.988 -12.311 -1.320 1.00 0.00 H new ATOM 0 HG LEU B 7 6.956 -10.692 0.485 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.403 -10.898 2.397 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.588 -10.391 0.899 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.442 -12.072 1.467 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.309 -12.338 2.368 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.498 -13.584 1.390 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.044 -12.892 0.845 1.00 0.00 H new ATOM 957 N LYS B 8 7.138 -9.340 -2.050 1.00 0.00 N ATOM 958 CA LYS B 8 8.000 -8.187 -1.706 1.00 0.00 C ATOM 959 C LYS B 8 7.794 -6.969 -2.623 1.00 0.00 C ATOM 960 O LYS B 8 8.667 -6.615 -3.422 1.00 0.00 O ATOM 961 CB LYS B 8 9.458 -8.673 -1.715 1.00 0.00 C ATOM 962 CG LYS B 8 10.429 -7.734 -0.975 1.00 0.00 C ATOM 963 CD LYS B 8 11.882 -7.904 -1.453 1.00 0.00 C ATOM 964 CE LYS B 8 12.150 -7.265 -2.827 1.00 0.00 C ATOM 965 NZ LYS B 8 12.137 -5.777 -2.771 1.00 0.00 N ATOM 0 H LYS B 8 7.577 -9.974 -2.717 1.00 0.00 H new ATOM 0 HA LYS B 8 7.724 -7.827 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.505 -9.662 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.789 -8.782 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.118 -6.700 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.376 -7.930 0.096 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.553 -7.461 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.119 -8.967 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.116 -7.604 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.397 -7.606 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.422 -5.392 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.179 -5.447 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.802 -5.451 -2.041 1.00 0.00 H new ATOM 979 N GLY B 9 6.633 -6.325 -2.523 1.00 0.00 N ATOM 980 CA GLY B 9 6.262 -5.196 -3.370 1.00 0.00 C ATOM 981 C GLY B 9 4.777 -4.892 -3.500 1.00 0.00 C ATOM 982 O GLY B 9 4.399 -3.802 -3.913 1.00 0.00 O ATOM 0 H GLY B 9 5.916 -6.576 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.758 -4.305 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.660 -5.376 -4.369 1.00 0.00 H new ATOM 986 N GLU B 10 3.919 -5.810 -3.074 1.00 0.00 N ATOM 987 CA GLU B 10 2.471 -5.591 -2.968 1.00 0.00 C ATOM 988 C GLU B 10 2.141 -4.373 -2.066 1.00 0.00 C ATOM 989 O GLU B 10 1.260 -3.582 -2.389 1.00 0.00 O ATOM 990 CB GLU B 10 1.857 -6.932 -2.508 1.00 0.00 C ATOM 991 CG GLU B 10 1.668 -7.943 -3.652 1.00 0.00 C ATOM 992 CD GLU B 10 0.385 -7.724 -4.451 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.164 -6.824 -5.283 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.679 -8.363 -4.335 1.00 0.00 O ATOM 0 H GLU B 10 4.208 -6.745 -2.786 1.00 0.00 H new ATOM 0 HA GLU B 10 2.026 -5.316 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.498 -7.374 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.891 -6.739 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.522 -7.881 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.662 -8.951 -3.238 1.00 0.00 H new ATOM 1001 N LEU B 11 2.940 -4.118 -1.021 1.00 0.00 N ATOM 1002 CA LEU B 11 2.979 -2.936 -0.158 1.00 0.00 C ATOM 1003 C LEU B 11 3.745 -1.721 -0.683 1.00 0.00 C ATOM 1004 O LEU B 11 3.525 -0.623 -0.177 1.00 0.00 O ATOM 1005 CB LEU B 11 3.446 -3.438 1.208 1.00 0.00 C ATOM 1006 CG LEU B 11 4.960 -3.582 1.377 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.233 -4.037 2.805 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.593 -4.584 0.407 1.00 0.00 C ATOM 0 H LEU B 11 3.641 -4.801 -0.734 1.00 0.00 H new ATOM 0 HA LEU B 11 1.981 -2.499 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.077 -2.754 1.972 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.984 -4.407 1.397 1.00 0.00 H new ATOM 0 HG LEU B 11 5.408 -2.613 1.158 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.307 -4.148 2.953 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.845 -3.295 3.504 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.742 -4.994 2.982 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.667 -4.634 0.585 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.153 -5.569 0.563 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.410 -4.263 -0.618 1.00 0.00 H new ATOM 1020 N GLN B 12 4.521 -1.865 -1.756 1.00 0.00 N ATOM 1021 CA GLN B 12 4.870 -0.741 -2.618 1.00 0.00 C ATOM 1022 C GLN B 12 3.625 -0.235 -3.384 1.00 0.00 C ATOM 1023 O GLN B 12 3.600 0.912 -3.825 1.00 0.00 O ATOM 1024 CB GLN B 12 6.041 -1.132 -3.538 1.00 0.00 C ATOM 1025 CG GLN B 12 6.887 0.081 -3.964 1.00 0.00 C ATOM 1026 CD GLN B 12 8.138 -0.299 -4.762 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.382 -1.443 -5.127 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.001 0.652 -5.056 1.00 0.00 N ATOM 0 H GLN B 12 4.921 -2.756 -2.049 1.00 0.00 H new ATOM 0 HA GLN B 12 5.212 0.099 -2.013 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.678 -1.852 -3.024 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.651 -1.628 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.272 0.751 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.187 0.636 -3.075 1.00 0.00 H new ATOM 0 HE21 GLN B 12 8.821 1.612 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.849 0.428 -5.576 1.00 0.00 H new ATOM 1037 N GLY B 13 2.556 -1.047 -3.460 1.00 0.00 N ATOM 1038 CA GLY B 13 1.213 -0.631 -3.867 1.00 0.00 C ATOM 1039 C GLY B 13 0.365 -0.155 -2.683 1.00 0.00 C ATOM 1040 O GLY B 13 -0.058 0.999 -2.684 1.00 0.00 O ATOM 0 H GLY B 13 2.610 -2.040 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.291 0.172 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.711 -1.464 -4.358 1.00 0.00 H new ATOM 1044 N ILE B 14 0.161 -0.986 -1.644 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.723 -0.673 -0.486 1.00 0.00 C ATOM 1046 C ILE B 14 -0.404 0.705 0.111 1.00 0.00 C ATOM 1047 O ILE B 14 -1.298 1.539 0.277 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.661 -1.751 0.633 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.054 -3.160 0.142 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.578 -1.389 1.819 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.530 -4.300 1.026 1.00 0.00 C ATOM 0 H ILE B 14 0.604 -1.902 -1.576 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.737 -0.666 -0.886 1.00 0.00 H new ATOM 0 HB ILE B 14 0.382 -1.768 0.948 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.141 -3.225 0.090 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.678 -3.298 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.509 -2.164 2.582 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.265 -0.435 2.243 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.608 -1.312 1.472 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.849 -5.257 0.613 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.559 -4.264 1.059 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.927 -4.190 2.035 1.00 0.00 H new ATOM 1063 N LYS B 15 0.878 0.965 0.404 1.00 0.00 N ATOM 1064 CA LYS B 15 1.321 2.200 1.061 1.00 0.00 C ATOM 1065 C LYS B 15 1.178 3.435 0.167 1.00 0.00 C ATOM 1066 O LYS B 15 0.884 4.520 0.667 1.00 0.00 O ATOM 1067 CB LYS B 15 2.759 2.043 1.588 1.00 0.00 C ATOM 1068 CG LYS B 15 2.853 0.962 2.685 1.00 0.00 C ATOM 1069 CD LYS B 15 4.292 0.674 3.139 1.00 0.00 C ATOM 1070 CE LYS B 15 4.957 1.898 3.783 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.317 1.576 4.292 1.00 0.00 N ATOM 0 H LYS B 15 1.639 0.321 0.190 1.00 0.00 H new ATOM 0 HA LYS B 15 0.658 2.369 1.909 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.422 1.782 0.763 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.106 2.996 1.987 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.265 1.278 3.547 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.406 0.040 2.314 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.287 -0.151 3.852 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.883 0.351 2.282 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.023 2.704 3.052 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.337 2.261 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.737 2.425 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.251 0.824 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.915 1.254 3.505 1.00 0.00 H new ATOM 1085 N GLN B 16 1.328 3.273 -1.149 1.00 0.00 N ATOM 1086 CA GLN B 16 1.142 4.335 -2.128 1.00 0.00 C ATOM 1087 C GLN B 16 -0.331 4.642 -2.408 1.00 0.00 C ATOM 1088 O GLN B 16 -0.699 5.812 -2.488 1.00 0.00 O ATOM 1089 CB GLN B 16 1.888 3.977 -3.419 1.00 0.00 C ATOM 1090 CG GLN B 16 3.400 4.236 -3.298 1.00 0.00 C ATOM 1091 CD GLN B 16 4.058 4.469 -4.660 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.657 3.594 -5.270 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.989 5.677 -5.185 1.00 0.00 N ATOM 0 H GLN B 16 1.588 2.380 -1.568 1.00 0.00 H new ATOM 0 HA GLN B 16 1.560 5.249 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.717 2.927 -3.658 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.484 4.562 -4.246 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.568 5.105 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.874 3.386 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.494 6.420 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.431 5.868 -6.084 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.199 3.632 -2.460 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.648 3.814 -2.558 1.00 0.00 C ATOM 1104 C TYR B 17 -3.211 4.637 -1.398 1.00 0.00 C ATOM 1105 O TYR B 17 -4.044 5.523 -1.601 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.343 2.450 -2.577 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.272 1.701 -3.895 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.654 2.348 -5.086 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.854 0.355 -3.933 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.585 1.667 -6.311 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.784 -0.332 -5.162 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.147 0.330 -6.354 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.173 -0.328 -7.542 1.00 0.00 O ATOM 0 H TYR B 17 -0.913 2.653 -2.435 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.839 4.357 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.902 1.826 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.392 2.592 -2.315 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.001 3.370 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.587 -0.151 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.869 2.170 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.454 -1.360 -5.191 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.133 -1.294 -7.382 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.715 4.379 -0.184 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.112 5.103 1.031 1.00 0.00 C ATOM 1125 C ARG B 18 -2.810 6.611 0.946 1.00 0.00 C ATOM 1126 O ARG B 18 -3.486 7.418 1.580 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.432 4.460 2.256 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.393 3.969 3.349 1.00 0.00 C ATOM 1129 CD ARG B 18 -4.229 5.099 3.972 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.620 4.795 5.364 1.00 0.00 N ATOM 1131 CZ ARG B 18 -5.588 4.001 5.791 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -6.382 3.363 4.979 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.773 3.831 7.069 1.00 0.00 N ATOM 0 H ARG B 18 -2.018 3.654 -0.014 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.194 5.021 1.135 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.830 3.617 1.917 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.747 5.185 2.695 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.063 3.221 2.925 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.819 3.475 4.133 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.658 6.027 3.950 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -5.124 5.262 3.371 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.073 5.257 6.090 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -6.270 3.466 3.970 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -7.116 2.761 5.352 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.172 4.310 7.739 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -6.519 3.219 7.399 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.808 6.981 0.146 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.333 8.354 -0.084 1.00 0.00 C ATOM 1149 C GLU B 19 -1.959 9.002 -1.338 1.00 0.00 C ATOM 1150 O GLU B 19 -2.197 10.206 -1.379 1.00 0.00 O ATOM 1151 CB GLU B 19 0.196 8.280 -0.248 1.00 0.00 C ATOM 1152 CG GLU B 19 0.907 9.545 0.238 1.00 0.00 C ATOM 1153 CD GLU B 19 2.434 9.413 0.068 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.102 8.830 0.957 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.981 9.900 -0.952 1.00 0.00 O ATOM 0 H GLU B 19 -1.275 6.296 -0.390 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.627 8.977 0.761 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.575 7.421 0.305 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.437 8.114 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.547 10.408 -0.322 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.667 9.723 1.286 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.259 8.203 -2.361 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.829 8.610 -3.648 1.00 0.00 C ATOM 1164 C ALA B 20 -4.238 9.201 -3.520 1.00 0.00 C ATOM 1165 O ALA B 20 -4.567 10.142 -4.242 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.839 7.388 -4.577 1.00 0.00 C ATOM 0 H ALA B 20 -2.102 7.196 -2.313 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.209 9.406 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.260 7.668 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.819 7.029 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.445 6.598 -4.133 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.035 8.711 -2.562 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.356 9.252 -2.221 1.00 0.00 C ATOM 1174 C LEU B 21 -6.307 10.746 -1.871 1.00 0.00 C ATOM 1175 O LEU B 21 -7.304 11.435 -2.070 1.00 0.00 O ATOM 1176 CB LEU B 21 -6.999 8.381 -1.127 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.435 8.767 -0.711 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.235 7.519 -0.332 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.456 9.694 0.510 1.00 0.00 C ATOM 0 H LEU B 21 -4.773 7.909 -1.989 1.00 0.00 H new ATOM 0 HA LEU B 21 -6.997 9.204 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.008 7.347 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.364 8.417 -0.242 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.871 9.278 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.245 7.809 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.283 6.844 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.748 7.014 0.502 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.488 9.938 0.764 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -7.982 9.194 1.355 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -7.913 10.611 0.280 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.163 11.283 -1.432 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.043 12.737 -1.206 1.00 0.00 C ATOM 1193 C GLU B 22 -5.149 13.583 -2.489 1.00 0.00 C ATOM 1194 O GLU B 22 -5.529 14.753 -2.428 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.743 13.082 -0.466 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.000 13.618 0.950 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.674 15.007 0.942 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -5.923 15.083 0.829 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -3.958 16.031 1.066 1.00 0.00 O ATOM 0 H GLU B 22 -4.319 10.749 -1.228 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.901 12.997 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.115 12.193 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.189 13.826 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.631 12.914 1.493 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.055 13.679 1.489 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.865 12.988 -3.649 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.085 13.579 -4.970 1.00 0.00 C ATOM 1208 C TYR B 23 -6.313 13.000 -5.702 1.00 0.00 C ATOM 1209 O TYR B 23 -7.064 13.762 -6.313 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.818 13.366 -5.801 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.591 14.071 -5.255 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.448 15.461 -5.432 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.604 13.345 -4.558 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.321 16.127 -4.913 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.475 14.007 -4.037 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.330 15.402 -4.212 1.00 0.00 C ATOM 1217 OH TYR B 23 0.754 16.055 -3.711 1.00 0.00 O ATOM 0 H TYR B 23 -4.463 12.052 -3.696 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.296 14.640 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.612 12.297 -5.862 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.001 13.714 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.204 16.017 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.714 12.279 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.214 17.193 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.280 13.448 -3.504 1.00 0.00 H new ATOM 0 HH TYR B 23 1.340 15.415 -3.256 1.00 0.00 H new ATOM 1227 N THR B 24 -6.562 11.684 -5.636 1.00 0.00 N ATOM 1228 CA THR B 24 -7.657 11.022 -6.379 1.00 0.00 C ATOM 1229 C THR B 24 -9.020 11.081 -5.677 1.00 0.00 C ATOM 1230 O THR B 24 -10.046 11.024 -6.353 1.00 0.00 O ATOM 1231 CB THR B 24 -7.337 9.552 -6.692 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.147 8.840 -5.496 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.077 9.383 -7.542 1.00 0.00 C ATOM 0 H THR B 24 -6.011 11.042 -5.066 1.00 0.00 H new ATOM 0 HA THR B 24 -7.730 11.597 -7.302 1.00 0.00 H new ATOM 0 HB THR B 24 -8.187 9.168 -7.257 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.646 8.018 -5.681 1.00 0.00 H new ATOM 0 HG21 THR B 24 -5.904 8.323 -7.729 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.206 9.903 -8.491 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.222 9.802 -7.012 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.051 11.239 -4.344 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.245 11.395 -3.485 1.00 0.00 C ATOM 1243 C HIS B 25 -11.432 10.435 -3.788 1.00 0.00 C ATOM 1244 O HIS B 25 -12.595 10.840 -3.699 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.620 12.894 -3.406 1.00 0.00 C ATOM 1246 CG HIS B 25 -9.821 13.621 -2.350 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.132 13.678 -1.000 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.622 14.255 -2.523 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.131 14.322 -0.365 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.206 14.684 -1.274 1.00 0.00 N ATOM 0 H HIS B 25 -8.189 11.263 -3.799 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.972 11.055 -2.486 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.450 13.362 -4.376 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.683 12.991 -3.187 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.098 14.395 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.080 14.515 0.696 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.343 15.190 -1.076 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.171 9.164 -4.133 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.188 8.225 -4.655 1.00 0.00 C ATOM 1261 C ASN B 26 -12.436 6.969 -3.786 1.00 0.00 C ATOM 1262 O ASN B 26 -11.515 6.479 -3.130 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.818 7.854 -6.109 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.705 8.586 -7.110 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.405 7.873 -7.961 1.00 0.00 O flip ATOM 1266 ND2 ASN B 26 -12.835 9.800 -7.109 1.00 0.00 N flip ATOM 0 H ASN B 26 -10.241 8.752 -4.058 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.145 8.746 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.773 8.103 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.919 6.778 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.299 10.370 -6.454 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.480 10.244 -7.763 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.658 6.384 -3.838 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.014 5.160 -3.106 1.00 0.00 C ATOM 1275 C PRO B 27 -13.405 3.885 -3.713 1.00 0.00 C ATOM 1276 O PRO B 27 -13.391 2.838 -3.074 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.546 5.099 -3.151 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.880 5.765 -4.484 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.824 6.865 -4.577 1.00 0.00 C ATOM 0 HA PRO B 27 -13.617 5.200 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.910 4.072 -3.111 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.995 5.629 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.811 5.065 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.891 6.171 -4.493 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.567 7.070 -5.616 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.196 7.797 -4.151 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.882 3.952 -4.940 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.262 2.811 -5.644 1.00 0.00 C ATOM 1289 C VAL B 28 -11.049 2.254 -4.922 1.00 0.00 C ATOM 1290 O VAL B 28 -10.828 1.049 -4.921 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.933 3.204 -7.096 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.592 3.926 -7.290 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -11.994 1.976 -7.995 1.00 0.00 C ATOM 0 H VAL B 28 -12.874 4.813 -5.487 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.990 2.000 -5.656 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.695 3.931 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.454 4.160 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.589 4.849 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.780 3.282 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.760 2.263 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.270 1.237 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.996 1.547 -7.958 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.295 3.103 -4.231 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.173 2.663 -3.415 1.00 0.00 C ATOM 1305 C LEU B 29 -9.627 1.798 -2.225 1.00 0.00 C ATOM 1306 O LEU B 29 -8.915 0.867 -1.855 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.339 3.875 -2.990 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.712 4.632 -4.181 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.524 5.867 -4.579 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.296 5.098 -3.862 1.00 0.00 C ATOM 0 H LEU B 29 -10.445 4.112 -4.222 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.536 2.013 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.969 4.561 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.545 3.544 -2.320 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.703 3.920 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.041 6.364 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.531 5.564 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.579 6.554 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.885 5.627 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.318 5.766 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.671 4.234 -3.635 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.853 1.998 -1.724 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.516 1.104 -0.762 1.00 0.00 C ATOM 1324 C ALA B 30 -11.985 -0.242 -1.378 1.00 0.00 C ATOM 1325 O ALA B 30 -12.632 -1.042 -0.703 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.660 1.862 -0.071 1.00 0.00 C ATOM 0 H ALA B 30 -11.425 2.803 -1.981 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.776 0.813 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.154 1.203 0.643 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.258 2.729 0.454 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.381 2.193 -0.819 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.624 -0.515 -2.642 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.641 -1.824 -3.300 1.00 0.00 C ATOM 1334 C LYS B 31 -10.222 -2.258 -3.667 1.00 0.00 C ATOM 1335 O LYS B 31 -9.817 -3.359 -3.316 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.525 -1.808 -4.567 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.939 -1.239 -4.372 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.694 -1.228 -5.710 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.087 -0.613 -5.528 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.835 -0.561 -6.811 1.00 0.00 N ATOM 0 H LYS B 31 -11.293 0.220 -3.267 1.00 0.00 H new ATOM 0 HA LYS B 31 -12.065 -2.539 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.019 -1.225 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.610 -2.827 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.484 -1.840 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.880 -0.227 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.131 -0.658 -6.449 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.785 -2.244 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.651 -1.197 -4.801 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.990 0.394 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.772 -0.140 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.309 0.017 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.949 -1.524 -7.186 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.443 -1.373 -4.297 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.084 -1.672 -4.787 1.00 0.00 C ATOM 1356 C ILE B 32 -7.154 -2.035 -3.625 1.00 0.00 C ATOM 1357 O ILE B 32 -6.756 -3.194 -3.507 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.511 -0.528 -5.650 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.384 -0.200 -6.882 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.118 -0.933 -6.147 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.975 1.121 -7.546 1.00 0.00 C ATOM 0 H ILE B 32 -9.738 -0.415 -4.486 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.154 -2.541 -5.441 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.480 0.361 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.304 -1.009 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.430 -0.144 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.703 -0.132 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.465 -1.113 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.195 -1.842 -6.743 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.616 1.309 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.080 1.936 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.937 1.058 -7.874 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.838 -1.082 -2.739 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.959 -1.349 -1.594 1.00 0.00 C ATOM 1375 C LEU B 33 -6.620 -2.278 -0.575 1.00 0.00 C ATOM 1376 O LEU B 33 -5.925 -3.034 0.104 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.374 -0.046 -1.011 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.147 0.654 0.125 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.810 0.114 1.519 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.812 2.147 0.161 1.00 0.00 C ATOM 0 H LEU B 33 -7.177 -0.122 -2.793 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.091 -1.907 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.371 -0.265 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.266 0.666 -1.829 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.198 0.465 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.390 0.653 2.268 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.053 -0.948 1.566 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.747 0.252 1.716 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.366 2.625 0.969 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.743 2.276 0.329 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.088 2.605 -0.789 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.958 -2.282 -0.517 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.689 -3.261 0.290 1.00 0.00 C ATOM 1394 C GLU B 34 -8.407 -4.706 -0.164 1.00 0.00 C ATOM 1395 O GLU B 34 -8.255 -5.595 0.677 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.193 -2.943 0.328 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.920 -3.820 1.359 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.370 -3.362 1.614 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.581 -2.441 2.442 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.313 -3.971 1.049 1.00 0.00 O ATOM 0 H GLU B 34 -8.552 -1.621 -1.018 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.321 -3.183 1.313 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.339 -1.891 0.574 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.626 -3.103 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.926 -4.853 1.011 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.367 -3.803 2.298 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.256 -4.955 -1.471 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.847 -6.261 -1.976 1.00 0.00 C ATOM 1409 C ASP B 35 -6.353 -6.548 -1.824 1.00 0.00 C ATOM 1410 O ASP B 35 -6.009 -7.649 -1.402 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.245 -6.433 -3.437 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.747 -6.403 -3.749 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.565 -6.860 -2.907 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.078 -5.980 -4.884 1.00 0.00 O ATOM 0 H ASP B 35 -8.414 -4.259 -2.199 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.376 -6.983 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.761 -5.647 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.843 -7.383 -3.790 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.453 -5.593 -2.082 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.015 -5.800 -1.857 1.00 0.00 C ATOM 1421 C GLU B 36 -3.687 -6.199 -0.407 1.00 0.00 C ATOM 1422 O GLU B 36 -2.704 -6.899 -0.161 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.239 -4.523 -2.191 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.401 -3.957 -3.601 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.906 -4.849 -4.731 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.335 -5.951 -4.542 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.089 -4.484 -5.915 1.00 0.00 O ATOM 0 H GLU B 36 -5.692 -4.671 -2.446 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.719 -6.620 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.536 -3.751 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.180 -4.718 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.457 -3.743 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.871 -3.006 -3.654 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.530 -5.800 0.551 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.373 -6.152 1.969 1.00 0.00 C ATOM 1436 C GLU B 37 -4.627 -7.651 2.211 1.00 0.00 C ATOM 1437 O GLU B 37 -3.990 -8.269 3.068 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.323 -5.282 2.810 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.991 -5.325 4.306 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.864 -4.332 5.098 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -7.006 -4.689 5.478 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.408 -3.194 5.366 1.00 0.00 O ATOM 0 H GLU B 37 -5.347 -5.219 0.364 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.344 -5.957 2.271 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.272 -4.251 2.460 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.348 -5.619 2.659 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.146 -6.334 4.687 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.938 -5.087 4.455 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.515 -8.251 1.405 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.755 -9.700 1.345 1.00 0.00 C ATOM 1451 C LYS B 38 -4.692 -10.408 0.516 1.00 0.00 C ATOM 1452 O LYS B 38 -4.186 -11.429 0.962 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.147 -9.997 0.757 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.279 -9.371 1.584 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.682 -9.579 0.989 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.796 -8.796 -0.323 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.167 -8.739 -0.883 1.00 0.00 N ATOM 0 H LYS B 38 -6.103 -7.726 0.758 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.706 -10.078 2.366 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.195 -9.619 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.293 -11.076 0.704 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.256 -9.793 2.589 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -8.093 -8.302 1.683 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.860 -10.639 0.810 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.442 -9.243 1.694 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.441 -7.779 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.133 -9.248 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.185 -8.084 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.452 -9.687 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.827 -8.406 -0.152 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.322 -9.875 -0.654 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.479 -10.506 -1.664 1.00 0.00 C ATOM 1473 C HIS B 39 -2.157 -11.079 -1.135 1.00 0.00 C ATOM 1474 O HIS B 39 -1.805 -12.206 -1.487 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.203 -9.452 -2.734 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.308 -9.133 -3.700 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.139 -8.325 -4.827 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.602 -9.557 -3.641 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.344 -8.279 -5.419 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.232 -9.031 -4.744 1.00 0.00 N ATOM 0 H HIS B 39 -4.622 -8.941 -0.932 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.015 -11.372 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.921 -8.528 -2.230 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.337 -9.778 -3.310 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.282 -7.867 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.044 -10.182 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.569 -7.716 -6.313 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.449 -10.339 -0.273 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.197 -10.818 0.343 1.00 0.00 C ATOM 1490 C ILE B 40 -0.438 -12.091 1.160 1.00 0.00 C ATOM 1491 O ILE B 40 0.227 -13.103 0.955 1.00 0.00 O ATOM 1492 CB ILE B 40 0.463 -9.719 1.213 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.889 -8.537 0.318 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.682 -10.292 1.961 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.539 -7.360 1.061 1.00 0.00 C ATOM 0 H ILE B 40 -1.721 -9.400 0.018 1.00 0.00 H new ATOM 0 HA ILE B 40 0.494 -11.060 -0.464 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.258 -9.365 1.950 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.589 -8.904 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.012 -8.170 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.137 -9.510 2.569 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.362 -11.111 2.605 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.411 -10.661 1.240 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.803 -6.580 0.347 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.837 -6.960 1.793 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.439 -7.704 1.571 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.402 -12.068 2.080 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.708 -13.228 2.925 1.00 0.00 C ATOM 1509 C GLU B 41 -2.383 -14.357 2.132 1.00 0.00 C ATOM 1510 O GLU B 41 -2.098 -15.530 2.370 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.529 -12.778 4.144 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.634 -12.003 5.130 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.427 -11.384 6.298 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.223 -12.097 6.958 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.231 -10.180 6.593 1.00 0.00 O ATOM 0 H GLU B 41 -1.989 -11.254 2.262 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.773 -13.653 3.290 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.358 -12.148 3.821 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.963 -13.646 4.640 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.874 -12.675 5.529 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.110 -11.212 4.593 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.187 -14.021 1.121 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.748 -14.951 0.141 1.00 0.00 C ATOM 1524 C TRP B 42 -2.692 -15.791 -0.587 1.00 0.00 C ATOM 1525 O TRP B 42 -2.879 -17.007 -0.677 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.649 -14.154 -0.819 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.059 -13.923 -0.368 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.598 -14.308 0.812 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.136 -13.273 -1.109 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.942 -13.985 0.831 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.331 -13.358 -0.335 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.219 -12.614 -2.354 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.555 -12.846 -0.795 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.430 -12.061 -2.809 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.602 -12.192 -2.040 1.00 0.00 C ATOM 0 H TRP B 42 -3.476 -13.057 0.957 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.346 -15.695 0.667 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.184 -13.185 -0.999 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.677 -14.677 -1.775 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.061 -14.792 1.614 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.569 -14.185 1.611 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.335 -12.533 -2.970 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.450 -12.953 -0.200 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.461 -11.534 -3.751 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.536 -11.791 -2.405 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.569 -15.217 -1.047 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.502 -16.039 -1.640 1.00 0.00 C ATOM 1548 C LEU B 43 0.362 -16.763 -0.586 1.00 0.00 C ATOM 1549 O LEU B 43 0.799 -17.887 -0.828 1.00 0.00 O ATOM 1550 CB LEU B 43 0.285 -15.268 -2.709 1.00 0.00 C ATOM 1551 CG LEU B 43 1.325 -14.291 -2.154 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.731 -14.897 -2.092 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.362 -13.039 -3.021 1.00 0.00 C ATOM 0 H LEU B 43 -1.378 -14.215 -1.022 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.982 -16.856 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.789 -15.984 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.419 -14.715 -3.331 1.00 0.00 H new ATOM 0 HG LEU B 43 1.025 -14.049 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.427 -14.160 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.720 -15.775 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU B 43 3.047 -15.187 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.103 -12.344 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.629 -13.311 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.381 -12.565 -3.017 1.00 0.00 H new ATOM 1565 N GLU B 44 0.571 -16.171 0.596 1.00 0.00 N ATOM 1566 CA GLU B 44 1.371 -16.777 1.676 1.00 0.00 C ATOM 1567 C GLU B 44 0.699 -18.018 2.299 1.00 0.00 C ATOM 1568 O GLU B 44 1.383 -19.005 2.578 1.00 0.00 O ATOM 1569 CB GLU B 44 1.681 -15.722 2.757 1.00 0.00 C ATOM 1570 CG GLU B 44 3.129 -15.763 3.270 1.00 0.00 C ATOM 1571 CD GLU B 44 3.467 -17.017 4.101 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.852 -17.220 5.177 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.392 -17.769 3.715 1.00 0.00 O ATOM 0 H GLU B 44 0.190 -15.255 0.835 1.00 0.00 H new ATOM 0 HA GLU B 44 2.302 -17.125 1.230 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.477 -14.731 2.352 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.004 -15.868 3.598 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.807 -15.711 2.418 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.313 -14.877 3.878 1.00 0.00 H new ATOM 1580 N THR B 45 -0.634 -18.023 2.458 1.00 0.00 N ATOM 1581 CA THR B 45 -1.399 -19.163 3.006 1.00 0.00 C ATOM 1582 C THR B 45 -1.163 -20.473 2.239 1.00 0.00 C ATOM 1583 O THR B 45 -1.159 -21.549 2.842 1.00 0.00 O ATOM 1584 CB THR B 45 -2.900 -18.808 3.073 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.092 -17.881 4.122 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.835 -19.982 3.380 1.00 0.00 C ATOM 0 H THR B 45 -1.221 -17.228 2.208 1.00 0.00 H new ATOM 0 HA THR B 45 -1.031 -19.344 4.016 1.00 0.00 H new ATOM 0 HB THR B 45 -3.149 -18.433 2.081 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.849 -16.983 3.814 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.866 -19.629 3.405 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.731 -20.742 2.606 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.575 -20.411 4.348 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.897 -20.402 0.928 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.604 -21.572 0.079 1.00 0.00 C ATOM 1596 C ILE B 46 0.710 -22.274 0.476 1.00 0.00 C ATOM 1597 O ILE B 46 0.840 -23.490 0.325 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.562 -21.145 -1.409 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.794 -20.321 -1.855 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.404 -22.363 -2.337 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.152 -20.924 -1.474 1.00 0.00 C ATOM 0 H ILE B 46 -0.878 -19.519 0.417 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.406 -22.295 0.229 1.00 0.00 H new ATOM 0 HB ILE B 46 0.311 -20.497 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.722 -19.324 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.758 -20.200 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.378 -22.029 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.524 -22.883 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.246 -23.040 -2.195 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -3.951 -20.274 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.254 -21.908 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.217 -21.019 -0.390 1.00 0.00 H new ATOM 1613 N LEU B 47 1.687 -21.520 0.988 1.00 0.00 N ATOM 1614 CA LEU B 47 3.071 -21.977 1.179 1.00 0.00 C ATOM 1615 C LEU B 47 3.302 -22.715 2.513 1.00 0.00 C ATOM 1616 O LEU B 47 4.314 -23.404 2.667 1.00 0.00 O ATOM 1617 CB LEU B 47 4.023 -20.768 1.056 1.00 0.00 C ATOM 1618 CG LEU B 47 3.801 -19.876 -0.182 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.852 -18.768 -0.227 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.854 -20.662 -1.495 1.00 0.00 C ATOM 0 H LEU B 47 1.538 -20.557 1.288 1.00 0.00 H new ATOM 0 HA LEU B 47 3.279 -22.709 0.399 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.919 -20.153 1.950 1.00 0.00 H new ATOM 0 HB3 LEU B 47 5.049 -21.135 1.039 1.00 0.00 H new ATOM 0 HG LEU B 47 2.801 -19.453 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.686 -18.144 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.775 -18.157 0.672 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.846 -19.212 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.691 -19.983 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.830 -21.136 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.078 -21.427 -1.492 1.00 0.00 H new ATOM 1632 N GLY B 48 2.373 -22.584 3.467 1.00 0.00 N ATOM 1633 CA GLY B 48 2.395 -23.256 4.775 1.00 0.00 C ATOM 1634 C GLY B 48 1.928 -22.379 5.947 1.00 0.00 C ATOM 1635 O GLY B 48 1.602 -22.891 7.018 1.00 0.00 O ATOM 0 H GLY B 48 1.555 -21.986 3.347 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.762 -24.142 4.725 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.410 -23.600 4.976 1.00 0.00 H new HETATM 1639 N NH2 B 49 1.869 -21.063 5.780 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.348 -4.519 -7.615 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.570 -7.258 -5.374 1.00 0.00 ZN