USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 19 HIS : no HD1:sc=-0.00211 X(o=-0.0021,f=0.41) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -148:sc= 0.665 (180deg=0) USER MOD Set 2.2: B 17 ASN : amide:sc= 0.182 K(o=0.85,f=-2.3) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.139 K(o=0.75,f=-2.1) USER MOD Set 3.2: B 16 LYS NZ :NH3+ -150:sc= 0.611 (180deg=0) USER MOD Set 4.1: A 15 SER OG : rot 180:sc=-0.00635 USER MOD Set 4.2: A 19 HIS : no HD1:sc= -0.0107 X(o=-0.017,f=0.48) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 3 MET CE :methyl 141:sc= -0.0907 (180deg=-0.544) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0206 (180deg=-0.278) USER MOD Single : A 5 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= -0.744 (180deg=-2.66!) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0194 USER MOD Single : B 3 MET CE :methyl 139:sc= -0.081 (180deg=-0.524) USER MOD Single : B 4 LYS NZ :NH3+ -166:sc= -0.0207 (180deg=-0.274) USER MOD Single : B 5 GLN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -1.02 X(o=-1,f=-0.9) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 141:sc= -0.763 (180deg=-2.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.597 5.686 -6.083 1.00 0.00 N ATOM 2 CA GLY A 1 23.964 5.434 -4.768 1.00 0.00 C ATOM 3 C GLY A 1 23.061 4.218 -4.796 1.00 0.00 C ATOM 4 O GLY A 1 22.113 4.158 -5.579 1.00 0.00 O ATOM 0 H1 GLY A 1 25.206 6.526 -6.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.170 4.862 -6.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.859 5.846 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.738 5.293 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.385 6.309 -4.471 1.00 0.00 H new ATOM 10 N SER A 2 23.341 3.250 -3.939 1.00 0.00 N ATOM 11 CA SER A 2 22.566 2.023 -3.902 1.00 0.00 C ATOM 12 C SER A 2 21.325 2.209 -3.036 1.00 0.00 C ATOM 13 O SER A 2 20.199 1.971 -3.475 1.00 0.00 O ATOM 14 CB SER A 2 23.435 0.883 -3.367 1.00 0.00 C ATOM 15 OG SER A 2 24.084 1.264 -2.165 1.00 0.00 O ATOM 0 H SER A 2 24.100 3.291 -3.259 1.00 0.00 H new ATOM 0 HA SER A 2 22.240 1.772 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.818 0.002 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.178 0.605 -4.114 1.00 0.00 H new ATOM 0 HG SER A 2 24.633 0.520 -1.840 1.00 0.00 H new ATOM 21 N MET A 3 21.542 2.673 -1.815 1.00 0.00 N ATOM 22 CA MET A 3 20.460 2.886 -0.864 1.00 0.00 C ATOM 23 C MET A 3 19.571 4.046 -1.298 1.00 0.00 C ATOM 24 O MET A 3 18.386 4.081 -0.977 1.00 0.00 O ATOM 25 CB MET A 3 21.032 3.155 0.526 1.00 0.00 C ATOM 26 CG MET A 3 21.773 1.967 1.117 1.00 0.00 C ATOM 27 SD MET A 3 22.445 2.305 2.755 1.00 0.00 S ATOM 28 CE MET A 3 20.943 2.559 3.699 1.00 0.00 C ATOM 0 H MET A 3 22.467 2.911 -1.456 1.00 0.00 H new ATOM 0 HA MET A 3 19.850 1.983 -0.833 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.711 4.006 0.472 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.220 3.437 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 3 21.095 1.115 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.585 1.682 0.448 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.053 2.110 4.686 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.757 3.628 3.806 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.104 2.094 3.180 1.00 0.00 H new ATOM 38 N LYS A 4 20.154 4.985 -2.035 1.00 0.00 N ATOM 39 CA LYS A 4 19.423 6.143 -2.539 1.00 0.00 C ATOM 40 C LYS A 4 18.250 5.708 -3.416 1.00 0.00 C ATOM 41 O LYS A 4 17.151 6.250 -3.316 1.00 0.00 O ATOM 42 CB LYS A 4 20.363 7.055 -3.331 1.00 0.00 C ATOM 43 CG LYS A 4 19.677 8.271 -3.933 1.00 0.00 C ATOM 44 CD LYS A 4 20.657 9.144 -4.696 1.00 0.00 C ATOM 45 CE LYS A 4 19.961 10.324 -5.355 1.00 0.00 C ATOM 46 NZ LYS A 4 18.948 9.890 -6.356 1.00 0.00 N ATOM 0 H LYS A 4 21.139 4.966 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 4 19.026 6.694 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.166 7.391 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.825 6.477 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.881 7.946 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.209 8.855 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.426 9.509 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.161 8.547 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.477 10.932 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.703 10.956 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.671 10.702 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.353 9.147 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.111 9.517 -5.864 1.00 0.00 H new ATOM 60 N GLN A 5 18.489 4.713 -4.256 1.00 0.00 N ATOM 61 CA GLN A 5 17.465 4.215 -5.160 1.00 0.00 C ATOM 62 C GLN A 5 16.378 3.474 -4.389 1.00 0.00 C ATOM 63 O GLN A 5 15.186 3.697 -4.602 1.00 0.00 O ATOM 64 CB GLN A 5 18.093 3.291 -6.204 1.00 0.00 C ATOM 65 CG GLN A 5 19.062 3.996 -7.141 1.00 0.00 C ATOM 66 CD GLN A 5 19.814 3.031 -8.035 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.359 2.683 -9.123 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.979 2.595 -7.586 1.00 0.00 N ATOM 0 H GLN A 5 19.386 4.233 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 5 17.008 5.065 -5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.618 2.484 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.300 2.832 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.512 4.705 -7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.776 4.572 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.324 2.906 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.532 1.948 -8.148 1.00 0.00 H new ATOM 77 N LEU A 6 16.802 2.622 -3.466 1.00 0.00 N ATOM 78 CA LEU A 6 15.875 1.788 -2.708 1.00 0.00 C ATOM 79 C LEU A 6 15.037 2.611 -1.732 1.00 0.00 C ATOM 80 O LEU A 6 13.856 2.318 -1.526 1.00 0.00 O ATOM 81 CB LEU A 6 16.630 0.691 -1.948 1.00 0.00 C ATOM 82 CG LEU A 6 16.963 -0.581 -2.744 1.00 0.00 C ATOM 83 CD1 LEU A 6 15.691 -1.254 -3.244 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.896 -0.275 -3.908 1.00 0.00 C ATOM 0 H LEU A 6 17.784 2.489 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 6 15.198 1.326 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.562 1.114 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.037 0.406 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 6 17.477 -1.268 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.951 -2.152 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.065 -1.525 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.146 -0.567 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.113 -1.194 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.419 0.439 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.825 0.150 -3.528 1.00 0.00 H new ATOM 96 N GLU A 7 15.634 3.642 -1.141 1.00 0.00 N ATOM 97 CA GLU A 7 14.925 4.469 -0.169 1.00 0.00 C ATOM 98 C GLU A 7 13.812 5.262 -0.847 1.00 0.00 C ATOM 99 O GLU A 7 12.847 5.674 -0.203 1.00 0.00 O ATOM 100 CB GLU A 7 15.881 5.416 0.568 1.00 0.00 C ATOM 101 CG GLU A 7 16.428 6.546 -0.290 1.00 0.00 C ATOM 102 CD GLU A 7 17.352 7.469 0.482 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.578 7.236 0.454 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.851 8.424 1.111 1.00 0.00 O ATOM 0 H GLU A 7 16.599 3.923 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 7 14.481 3.801 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.360 5.845 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.717 4.837 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.967 6.125 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.598 7.125 -0.695 1.00 0.00 H new ATOM 111 N ASP A 8 13.948 5.473 -2.151 1.00 0.00 N ATOM 112 CA ASP A 8 12.911 6.146 -2.922 1.00 0.00 C ATOM 113 C ASP A 8 11.776 5.185 -3.226 1.00 0.00 C ATOM 114 O ASP A 8 10.612 5.574 -3.251 1.00 0.00 O ATOM 115 CB ASP A 8 13.473 6.723 -4.221 1.00 0.00 C ATOM 116 CG ASP A 8 14.052 8.110 -4.036 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.203 8.215 -3.569 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.352 9.092 -4.355 1.00 0.00 O ATOM 0 H ASP A 8 14.763 5.189 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 8 12.529 6.972 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.246 6.058 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.683 6.760 -4.971 1.00 0.00 H new ATOM 123 N LYS A 9 12.125 3.924 -3.438 1.00 0.00 N ATOM 124 CA LYS A 9 11.141 2.891 -3.725 1.00 0.00 C ATOM 125 C LYS A 9 10.262 2.622 -2.509 1.00 0.00 C ATOM 126 O LYS A 9 9.035 2.681 -2.597 1.00 0.00 O ATOM 127 CB LYS A 9 11.834 1.597 -4.161 1.00 0.00 C ATOM 128 CG LYS A 9 12.508 1.680 -5.520 1.00 0.00 C ATOM 129 CD LYS A 9 11.492 1.869 -6.635 1.00 0.00 C ATOM 130 CE LYS A 9 12.152 1.840 -8.002 1.00 0.00 C ATOM 131 NZ LYS A 9 11.166 2.034 -9.097 1.00 0.00 N ATOM 0 H LYS A 9 13.089 3.591 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 9 10.509 3.248 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.580 1.328 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.098 0.793 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.215 2.509 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.081 0.770 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.738 1.084 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.975 2.819 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.912 2.620 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.663 0.887 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.656 2.008 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.455 1.276 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.696 2.955 -8.982 1.00 0.00 H new ATOM 145 N VAL A 10 10.896 2.344 -1.374 1.00 0.00 N ATOM 146 CA VAL A 10 10.165 2.017 -0.155 1.00 0.00 C ATOM 147 C VAL A 10 9.294 3.189 0.301 1.00 0.00 C ATOM 148 O VAL A 10 8.153 2.994 0.706 1.00 0.00 O ATOM 149 CB VAL A 10 11.114 1.577 0.989 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.130 2.659 1.318 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.318 1.195 2.230 1.00 0.00 C ATOM 0 H VAL A 10 11.911 2.339 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 10 9.516 1.174 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 10 11.663 0.701 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.779 2.316 2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.732 2.874 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.609 3.564 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.002 0.889 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.734 2.052 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.647 0.370 1.992 1.00 0.00 H new ATOM 161 N GLU A 11 9.822 4.406 0.207 1.00 0.00 N ATOM 162 CA GLU A 11 9.073 5.592 0.605 1.00 0.00 C ATOM 163 C GLU A 11 7.911 5.831 -0.353 1.00 0.00 C ATOM 164 O GLU A 11 6.826 6.238 0.065 1.00 0.00 O ATOM 165 CB GLU A 11 9.987 6.818 0.643 1.00 0.00 C ATOM 166 CG GLU A 11 9.289 8.083 1.118 1.00 0.00 C ATOM 167 CD GLU A 11 10.208 9.287 1.135 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.353 9.936 0.076 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.780 9.581 2.203 1.00 0.00 O ATOM 0 H GLU A 11 10.762 4.596 -0.140 1.00 0.00 H new ATOM 0 HA GLU A 11 8.674 5.427 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.832 6.611 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.393 6.989 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.439 8.289 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.892 7.920 2.120 1.00 0.00 H new ATOM 176 N GLU A 12 8.144 5.569 -1.634 1.00 0.00 N ATOM 177 CA GLU A 12 7.111 5.742 -2.648 1.00 0.00 C ATOM 178 C GLU A 12 5.884 4.887 -2.335 1.00 0.00 C ATOM 179 O GLU A 12 4.774 5.407 -2.219 1.00 0.00 O ATOM 180 CB GLU A 12 7.658 5.395 -4.034 1.00 0.00 C ATOM 181 CG GLU A 12 6.665 5.633 -5.160 1.00 0.00 C ATOM 182 CD GLU A 12 7.277 5.415 -6.530 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.195 4.278 -7.040 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.841 6.377 -7.087 1.00 0.00 O ATOM 0 H GLU A 12 9.038 5.236 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 12 6.807 6.789 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.554 5.988 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.961 4.348 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.813 4.965 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.283 6.652 -5.094 1.00 0.00 H new ATOM 191 N LEU A 13 6.075 3.579 -2.203 1.00 0.00 N ATOM 192 CA LEU A 13 4.956 2.692 -1.890 1.00 0.00 C ATOM 193 C LEU A 13 4.491 2.816 -0.442 1.00 0.00 C ATOM 194 O LEU A 13 3.362 2.447 -0.131 1.00 0.00 O ATOM 195 CB LEU A 13 5.259 1.233 -2.231 1.00 0.00 C ATOM 196 CG LEU A 13 5.327 0.948 -3.728 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.738 1.150 -4.262 1.00 0.00 C ATOM 198 CD2 LEU A 13 4.827 -0.453 -4.028 1.00 0.00 C ATOM 0 H LEU A 13 6.977 3.114 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 13 4.136 3.024 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.209 0.953 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.492 0.599 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 13 4.676 1.659 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.756 0.940 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.048 2.181 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.422 0.475 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.883 -0.637 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.445 -1.180 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.793 -0.549 -3.697 1.00 0.00 H new ATOM 210 N LEU A 14 5.344 3.323 0.441 1.00 0.00 N ATOM 211 CA LEU A 14 4.917 3.662 1.791 1.00 0.00 C ATOM 212 C LEU A 14 3.817 4.720 1.704 1.00 0.00 C ATOM 213 O LEU A 14 2.777 4.609 2.353 1.00 0.00 O ATOM 214 CB LEU A 14 6.131 4.141 2.623 1.00 0.00 C ATOM 215 CG LEU A 14 5.877 4.588 4.074 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.291 5.991 4.130 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.981 3.599 4.805 1.00 0.00 C ATOM 0 H LEU A 14 6.328 3.507 0.247 1.00 0.00 H new ATOM 0 HA LEU A 14 4.510 2.788 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.862 3.332 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.593 4.974 2.092 1.00 0.00 H new ATOM 0 HG LEU A 14 6.842 4.610 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.124 6.274 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.985 6.694 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.343 6.011 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.819 3.941 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.023 3.527 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.458 2.619 4.822 1.00 0.00 H new ATOM 229 N SER A 15 4.037 5.715 0.857 1.00 0.00 N ATOM 230 CA SER A 15 3.055 6.758 0.635 1.00 0.00 C ATOM 231 C SER A 15 1.887 6.214 -0.189 1.00 0.00 C ATOM 232 O SER A 15 0.721 6.473 0.123 1.00 0.00 O ATOM 233 CB SER A 15 3.711 7.946 -0.074 1.00 0.00 C ATOM 234 OG SER A 15 2.827 9.048 -0.162 1.00 0.00 O ATOM 0 H SER A 15 4.892 5.819 0.311 1.00 0.00 H new ATOM 0 HA SER A 15 2.668 7.097 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.611 8.242 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.023 7.647 -1.075 1.00 0.00 H new ATOM 0 HG SER A 15 3.275 9.791 -0.618 1.00 0.00 H new ATOM 240 N LYS A 16 2.205 5.443 -1.233 1.00 0.00 N ATOM 241 CA LYS A 16 1.185 4.851 -2.095 1.00 0.00 C ATOM 242 C LYS A 16 0.234 3.954 -1.295 1.00 0.00 C ATOM 243 O LYS A 16 -0.963 3.912 -1.572 1.00 0.00 O ATOM 244 CB LYS A 16 1.848 4.050 -3.223 1.00 0.00 C ATOM 245 CG LYS A 16 0.961 3.847 -4.443 1.00 0.00 C ATOM 246 CD LYS A 16 1.735 3.226 -5.599 1.00 0.00 C ATOM 247 CE LYS A 16 1.887 1.720 -5.448 1.00 0.00 C ATOM 248 NZ LYS A 16 0.655 0.990 -5.850 1.00 0.00 N ATOM 0 H LYS A 16 3.163 5.216 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 16 0.597 5.660 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.760 4.562 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.145 3.075 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.120 3.205 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.545 4.805 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.223 3.445 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.722 3.684 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.725 1.378 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.127 1.482 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.559 0.128 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.174 1.600 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.717 0.731 -6.855 1.00 0.00 H new ATOM 262 N ASN A 17 0.768 3.249 -0.298 1.00 0.00 N ATOM 263 CA ASN A 17 -0.034 2.373 0.550 1.00 0.00 C ATOM 264 C ASN A 17 -1.059 3.172 1.348 1.00 0.00 C ATOM 265 O ASN A 17 -2.234 2.823 1.380 1.00 0.00 O ATOM 266 CB ASN A 17 0.872 1.578 1.496 1.00 0.00 C ATOM 267 CG ASN A 17 0.106 0.614 2.382 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.285 0.949 3.499 1.00 0.00 O ATOM 269 ND2 ASN A 17 -0.102 -0.601 1.895 1.00 0.00 N ATOM 0 H ASN A 17 1.759 3.269 -0.058 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.573 1.677 -0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.601 1.021 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.431 2.272 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.602 -1.295 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.237 -0.842 0.964 1.00 0.00 H new ATOM 276 N TYR A 18 -0.621 4.254 1.977 1.00 0.00 N ATOM 277 CA TYR A 18 -1.526 5.079 2.768 1.00 0.00 C ATOM 278 C TYR A 18 -2.543 5.785 1.879 1.00 0.00 C ATOM 279 O TYR A 18 -3.690 5.978 2.275 1.00 0.00 O ATOM 280 CB TYR A 18 -0.754 6.092 3.614 1.00 0.00 C ATOM 281 CG TYR A 18 -0.044 5.459 4.789 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.333 5.546 4.928 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.759 4.763 5.757 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.980 4.957 5.998 1.00 0.00 C ATOM 285 CE2 TYR A 18 -0.121 4.173 6.829 1.00 0.00 C ATOM 286 CZ TYR A 18 1.249 4.270 6.946 1.00 0.00 C ATOM 287 OH TYR A 18 1.889 3.680 8.013 1.00 0.00 O ATOM 0 H TYR A 18 0.345 4.579 1.956 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.068 4.418 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.023 6.600 2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.444 6.853 3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.909 6.082 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.832 4.683 5.668 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.053 5.034 6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.692 3.638 7.573 1.00 0.00 H new ATOM 0 HH TYR A 18 1.229 3.238 8.587 1.00 0.00 H new ATOM 297 N HIS A 19 -2.128 6.148 0.672 1.00 0.00 N ATOM 298 CA HIS A 19 -3.043 6.754 -0.292 1.00 0.00 C ATOM 299 C HIS A 19 -4.099 5.739 -0.714 1.00 0.00 C ATOM 300 O HIS A 19 -5.266 6.076 -0.920 1.00 0.00 O ATOM 301 CB HIS A 19 -2.289 7.267 -1.522 1.00 0.00 C ATOM 302 CG HIS A 19 -1.376 8.420 -1.239 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.402 8.841 -2.118 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.297 9.246 -0.171 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.235 9.874 -1.601 1.00 0.00 C ATOM 306 NE2 HIS A 19 -0.288 10.140 -0.420 1.00 0.00 N ATOM 0 H HIS A 19 -1.171 6.035 0.337 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.529 7.604 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.705 6.449 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.012 7.567 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.915 9.208 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.048 10.411 -2.067 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.010 10.888 0.206 1.00 0.00 H new ATOM 315 N LEU A 20 -3.680 4.490 -0.820 1.00 0.00 N ATOM 316 CA LEU A 20 -4.573 3.407 -1.167 1.00 0.00 C ATOM 317 C LEU A 20 -5.492 3.083 0.009 1.00 0.00 C ATOM 318 O LEU A 20 -6.634 2.665 -0.178 1.00 0.00 O ATOM 319 CB LEU A 20 -3.750 2.185 -1.571 1.00 0.00 C ATOM 320 CG LEU A 20 -4.551 0.948 -1.952 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.420 1.215 -3.172 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.617 -0.219 -2.206 1.00 0.00 C ATOM 0 H LEU A 20 -2.713 4.202 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.199 3.704 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.116 2.459 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.087 1.926 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.210 0.696 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.982 0.315 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.114 2.027 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.788 1.495 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.200 -1.099 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.936 0.031 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.043 -0.429 -1.303 1.00 0.00 H new ATOM 334 N GLU A 21 -4.992 3.297 1.223 1.00 0.00 N ATOM 335 CA GLU A 21 -5.801 3.120 2.422 1.00 0.00 C ATOM 336 C GLU A 21 -6.907 4.171 2.455 1.00 0.00 C ATOM 337 O GLU A 21 -8.029 3.899 2.885 1.00 0.00 O ATOM 338 CB GLU A 21 -4.936 3.216 3.681 1.00 0.00 C ATOM 339 CG GLU A 21 -5.649 2.755 4.944 1.00 0.00 C ATOM 340 CD GLU A 21 -4.790 2.885 6.185 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.751 2.199 6.260 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.161 3.669 7.083 1.00 0.00 O ATOM 0 H GLU A 21 -4.032 3.593 1.401 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.251 2.127 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.037 2.616 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.613 4.249 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.560 3.340 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.952 1.715 4.825 1.00 0.00 H new ATOM 349 N ASN A 22 -6.579 5.370 1.975 1.00 0.00 N ATOM 350 CA ASN A 22 -7.562 6.442 1.842 1.00 0.00 C ATOM 351 C ASN A 22 -8.674 6.014 0.892 1.00 0.00 C ATOM 352 O ASN A 22 -9.830 6.417 1.040 1.00 0.00 O ATOM 353 CB ASN A 22 -6.913 7.722 1.302 1.00 0.00 C ATOM 354 CG ASN A 22 -5.816 8.276 2.194 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.869 8.901 1.711 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.933 8.068 3.497 1.00 0.00 N ATOM 0 H ASN A 22 -5.638 5.623 1.672 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.972 6.643 2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.498 7.519 0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.683 8.483 1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.226 8.430 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.730 7.546 3.861 1.00 0.00 H new ATOM 363 N GLU A 23 -8.306 5.185 -0.080 1.00 0.00 N ATOM 364 CA GLU A 23 -9.241 4.715 -1.089 1.00 0.00 C ATOM 365 C GLU A 23 -10.260 3.754 -0.477 1.00 0.00 C ATOM 366 O GLU A 23 -11.446 3.796 -0.809 1.00 0.00 O ATOM 367 CB GLU A 23 -8.492 4.036 -2.238 1.00 0.00 C ATOM 368 CG GLU A 23 -9.390 3.657 -3.403 1.00 0.00 C ATOM 369 CD GLU A 23 -8.632 2.993 -4.535 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.411 1.768 -4.459 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.262 3.697 -5.497 1.00 0.00 O ATOM 0 H GLU A 23 -7.358 4.824 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.777 5.577 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.708 4.704 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.000 3.139 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.171 2.983 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.887 4.551 -3.779 1.00 0.00 H new ATOM 378 N VAL A 24 -9.800 2.903 0.434 1.00 0.00 N ATOM 379 CA VAL A 24 -10.692 1.956 1.098 1.00 0.00 C ATOM 380 C VAL A 24 -11.691 2.721 1.955 1.00 0.00 C ATOM 381 O VAL A 24 -12.849 2.330 2.089 1.00 0.00 O ATOM 382 CB VAL A 24 -9.933 0.943 1.993 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.736 -0.341 2.169 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.551 0.643 1.440 1.00 0.00 C ATOM 0 H VAL A 24 -8.825 2.848 0.728 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.198 1.389 0.317 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.807 1.402 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.180 -1.034 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.693 -0.110 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.910 -0.798 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.046 -0.070 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.643 0.219 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.971 1.564 1.392 1.00 0.00 H new ATOM 394 N ALA A 25 -11.236 3.844 2.502 1.00 0.00 N ATOM 395 CA ALA A 25 -12.077 4.676 3.351 1.00 0.00 C ATOM 396 C ALA A 25 -13.220 5.297 2.560 1.00 0.00 C ATOM 397 O ALA A 25 -14.286 5.567 3.111 1.00 0.00 O ATOM 398 CB ALA A 25 -11.253 5.756 4.030 1.00 0.00 C ATOM 0 H ALA A 25 -10.288 4.198 2.371 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.510 4.035 4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.901 6.366 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.482 5.292 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.784 6.386 3.274 1.00 0.00 H new ATOM 404 N ARG A 26 -13.000 5.520 1.268 1.00 0.00 N ATOM 405 CA ARG A 26 -14.046 6.075 0.413 1.00 0.00 C ATOM 406 C ARG A 26 -15.202 5.096 0.324 1.00 0.00 C ATOM 407 O ARG A 26 -16.353 5.445 0.596 1.00 0.00 O ATOM 408 CB ARG A 26 -13.551 6.359 -1.012 1.00 0.00 C ATOM 409 CG ARG A 26 -12.091 6.749 -1.114 1.00 0.00 C ATOM 410 CD ARG A 26 -11.800 7.478 -2.413 1.00 0.00 C ATOM 411 NE ARG A 26 -12.563 8.721 -2.531 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.426 9.584 -3.536 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.529 9.361 -4.489 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.177 10.677 -3.584 1.00 0.00 N ATOM 0 H ARG A 26 -12.118 5.328 0.793 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.357 7.018 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.719 5.472 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.156 7.159 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.823 7.385 -0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.469 5.856 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.735 7.700 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.037 6.827 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.240 8.939 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.943 8.527 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.426 10.024 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.862 10.858 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.070 11.336 -4.355 1.00 0.00 H new ATOM 428 N LEU A 27 -14.872 3.862 -0.030 1.00 0.00 N ATOM 429 CA LEU A 27 -15.873 2.846 -0.311 1.00 0.00 C ATOM 430 C LEU A 27 -16.734 2.523 0.902 1.00 0.00 C ATOM 431 O LEU A 27 -17.952 2.438 0.779 1.00 0.00 O ATOM 432 CB LEU A 27 -15.230 1.565 -0.839 1.00 0.00 C ATOM 433 CG LEU A 27 -14.818 1.586 -2.315 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.739 2.616 -2.593 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.356 0.213 -2.745 1.00 0.00 C ATOM 0 H LEU A 27 -13.909 3.540 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.522 3.266 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.347 1.349 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.928 0.741 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.695 1.872 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.479 2.594 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.106 3.608 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.855 2.387 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.066 0.239 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.501 -0.089 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.167 -0.503 -2.611 1.00 0.00 H new ATOM 447 N LYS A 28 -16.125 2.339 2.070 1.00 0.00 N ATOM 448 CA LYS A 28 -16.905 1.969 3.251 1.00 0.00 C ATOM 449 C LYS A 28 -17.895 3.060 3.651 1.00 0.00 C ATOM 450 O LYS A 28 -18.926 2.761 4.247 1.00 0.00 O ATOM 451 CB LYS A 28 -16.025 1.549 4.437 1.00 0.00 C ATOM 452 CG LYS A 28 -14.865 2.474 4.762 1.00 0.00 C ATOM 453 CD LYS A 28 -14.026 1.878 5.883 1.00 0.00 C ATOM 454 CE LYS A 28 -12.812 2.727 6.215 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.080 2.202 7.397 1.00 0.00 N ATOM 0 H LYS A 28 -15.122 2.436 2.225 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.484 1.091 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.657 1.465 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.626 0.555 4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.249 2.624 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.241 3.453 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.643 1.767 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.699 0.879 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.142 2.756 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.127 3.752 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.258 2.808 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.712 2.198 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.758 1.232 7.203 1.00 0.00 H new ATOM 469 N LYS A 29 -17.613 4.312 3.296 1.00 0.00 N ATOM 470 CA LYS A 29 -18.571 5.381 3.509 1.00 0.00 C ATOM 471 C LYS A 29 -19.796 5.164 2.623 1.00 0.00 C ATOM 472 O LYS A 29 -20.926 5.421 3.037 1.00 0.00 O ATOM 473 CB LYS A 29 -17.935 6.741 3.224 1.00 0.00 C ATOM 474 CG LYS A 29 -16.826 7.111 4.199 1.00 0.00 C ATOM 475 CD LYS A 29 -16.320 8.538 3.996 1.00 0.00 C ATOM 476 CE LYS A 29 -15.462 8.695 2.743 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.267 8.751 1.489 1.00 0.00 N ATOM 0 H LYS A 29 -16.736 4.604 2.864 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.884 5.368 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.532 6.739 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.708 7.509 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.192 7.001 5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.996 6.414 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.173 9.214 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.739 8.839 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.868 9.605 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.762 7.862 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.862 9.463 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.253 7.820 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.248 9.009 1.718 1.00 0.00 H new ATOM 491 N LEU A 30 -19.560 4.658 1.416 1.00 0.00 N ATOM 492 CA LEU A 30 -20.641 4.313 0.496 1.00 0.00 C ATOM 493 C LEU A 30 -21.370 3.060 0.971 1.00 0.00 C ATOM 494 O LEU A 30 -22.581 2.924 0.786 1.00 0.00 O ATOM 495 CB LEU A 30 -20.107 4.093 -0.925 1.00 0.00 C ATOM 496 CG LEU A 30 -19.900 5.359 -1.768 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.797 6.234 -1.194 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.586 4.988 -3.208 1.00 0.00 C ATOM 0 H LEU A 30 -18.625 4.477 1.050 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.341 5.149 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.155 3.566 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.798 3.437 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.827 5.932 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.677 7.122 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.061 6.534 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.862 5.675 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.442 5.895 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.677 4.387 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.414 4.415 -3.625 1.00 0.00 H new ATOM 510 N VAL A 31 -20.626 2.141 1.584 1.00 0.00 N ATOM 511 CA VAL A 31 -21.212 0.926 2.143 1.00 0.00 C ATOM 512 C VAL A 31 -22.110 1.277 3.331 1.00 0.00 C ATOM 513 O VAL A 31 -23.074 0.572 3.629 1.00 0.00 O ATOM 514 CB VAL A 31 -20.126 -0.098 2.581 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.757 -1.378 3.112 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.195 -0.423 1.425 1.00 0.00 C ATOM 0 H VAL A 31 -19.616 2.216 1.706 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.807 0.458 1.359 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.548 0.360 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.973 -2.074 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.382 -1.145 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.368 -1.833 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.444 -1.141 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.770 -0.850 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.702 0.489 1.087 1.00 0.00 H new ATOM 526 N GLY A 32 -21.798 2.388 3.992 1.00 0.00 N ATOM 527 CA GLY A 32 -22.605 2.840 5.106 1.00 0.00 C ATOM 528 C GLY A 32 -21.766 3.307 6.277 1.00 0.00 C ATOM 529 O GLY A 32 -22.055 2.963 7.423 1.00 0.00 O ATOM 0 H GLY A 32 -20.999 2.983 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -23.249 3.655 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -23.257 2.029 5.431 1.00 0.00 H new ATOM 533 N GLU A 33 -20.722 4.079 5.977 1.00 0.00 N ATOM 534 CA GLU A 33 -19.804 4.607 6.992 1.00 0.00 C ATOM 535 C GLU A 33 -19.147 3.482 7.788 1.00 0.00 C ATOM 536 O GLU A 33 -19.642 3.148 8.886 1.00 0.00 O ATOM 537 CB GLU A 33 -20.523 5.571 7.937 1.00 0.00 C ATOM 538 CG GLU A 33 -20.988 6.850 7.265 1.00 0.00 C ATOM 539 CD GLU A 33 -21.683 7.786 8.231 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.928 7.835 8.215 1.00 0.00 O ATOM 541 OE2 GLU A 33 -20.978 8.464 9.008 1.00 0.00 O ATOM 542 OXT GLU A 33 -18.138 2.929 7.307 1.00 0.00 O ATOM 0 H GLU A 33 -20.487 4.357 5.024 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.022 5.155 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.385 5.065 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.855 5.825 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -20.131 7.358 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.667 6.603 6.449 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 24.619 -5.890 5.375 1.00 0.00 N ATOM 551 CA GLY B 1 23.973 -5.635 4.067 1.00 0.00 C ATOM 552 C GLY B 1 23.076 -4.421 4.106 1.00 0.00 C ATOM 553 O GLY B 1 22.134 -4.364 4.898 1.00 0.00 O ATOM 0 H1 GLY B 1 25.226 -6.732 5.304 1.00 0.00 H new ATOM 0 H2 GLY B 1 25.197 -5.068 5.643 1.00 0.00 H new ATOM 0 H3 GLY B 1 23.888 -6.050 6.098 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.740 -5.495 3.305 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.389 -6.508 3.775 1.00 0.00 H new ATOM 559 N SER B 2 23.354 -3.450 3.252 1.00 0.00 N ATOM 560 CA SER B 2 22.582 -2.222 3.221 1.00 0.00 C ATOM 561 C SER B 2 21.338 -2.403 2.358 1.00 0.00 C ATOM 562 O SER B 2 20.215 -2.164 2.801 1.00 0.00 O ATOM 563 CB SER B 2 23.452 -1.082 2.689 1.00 0.00 C ATOM 564 OG SER B 2 24.103 -1.462 1.486 1.00 0.00 O ATOM 0 H SER B 2 24.111 -3.490 2.570 1.00 0.00 H new ATOM 0 HA SER B 2 22.259 -1.973 4.232 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.835 -0.201 2.511 1.00 0.00 H new ATOM 0 HB3 SER B 2 24.194 -0.806 3.438 1.00 0.00 H new ATOM 0 HG SER B 2 24.653 -0.718 1.162 1.00 0.00 H new ATOM 570 N MET B 3 21.552 -2.865 1.135 1.00 0.00 N ATOM 571 CA MET B 3 20.467 -3.073 0.188 1.00 0.00 C ATOM 572 C MET B 3 19.581 -4.233 0.620 1.00 0.00 C ATOM 573 O MET B 3 18.394 -4.266 0.303 1.00 0.00 O ATOM 574 CB MET B 3 21.033 -3.338 -1.206 1.00 0.00 C ATOM 575 CG MET B 3 21.772 -2.149 -1.798 1.00 0.00 C ATOM 576 SD MET B 3 22.434 -2.484 -3.444 1.00 0.00 S ATOM 577 CE MET B 3 20.924 -2.720 -4.380 1.00 0.00 C ATOM 0 H MET B 3 22.475 -3.105 0.773 1.00 0.00 H new ATOM 0 HA MET B 3 19.858 -2.169 0.163 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.712 -4.190 -1.158 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.218 -3.617 -1.873 1.00 0.00 H new ATOM 0 HG2 MET B 3 21.095 -1.296 -1.850 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.589 -1.867 -1.133 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.019 -2.235 -5.352 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.747 -3.786 -4.522 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.087 -2.282 -3.836 1.00 0.00 H new ATOM 587 N LYS B 4 20.165 -5.178 1.350 1.00 0.00 N ATOM 588 CA LYS B 4 19.429 -6.335 1.854 1.00 0.00 C ATOM 589 C LYS B 4 18.262 -5.900 2.738 1.00 0.00 C ATOM 590 O LYS B 4 17.160 -6.438 2.640 1.00 0.00 O ATOM 591 CB LYS B 4 20.369 -7.252 2.641 1.00 0.00 C ATOM 592 CG LYS B 4 19.680 -8.466 3.244 1.00 0.00 C ATOM 593 CD LYS B 4 20.663 -9.346 3.995 1.00 0.00 C ATOM 594 CE LYS B 4 19.969 -10.530 4.647 1.00 0.00 C ATOM 595 NZ LYS B 4 18.965 -10.101 5.658 1.00 0.00 N ATOM 0 H LYS B 4 21.152 -5.166 1.608 1.00 0.00 H new ATOM 0 HA LYS B 4 19.025 -6.880 1.001 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.168 -7.590 1.981 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.837 -6.677 3.440 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.891 -8.139 3.921 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.202 -9.045 2.454 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.429 -9.706 3.308 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.171 -8.756 4.758 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.478 -11.129 3.880 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.713 -11.169 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 18.689 -10.917 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.377 -9.365 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.126 -9.721 5.175 1.00 0.00 H new ATOM 609 N GLN B 5 18.506 -4.910 3.581 1.00 0.00 N ATOM 610 CA GLN B 5 17.487 -4.415 4.492 1.00 0.00 C ATOM 611 C GLN B 5 16.398 -3.670 3.730 1.00 0.00 C ATOM 612 O GLN B 5 15.206 -3.886 3.955 1.00 0.00 O ATOM 613 CB GLN B 5 18.120 -3.498 5.538 1.00 0.00 C ATOM 614 CG GLN B 5 19.089 -4.212 6.465 1.00 0.00 C ATOM 615 CD GLN B 5 19.841 -3.255 7.367 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.386 -2.919 8.458 1.00 0.00 O ATOM 617 NE2 GLN B 5 21.004 -2.814 6.920 1.00 0.00 N ATOM 0 H GLN B 5 19.404 -4.432 3.653 1.00 0.00 H new ATOM 0 HA GLN B 5 17.031 -5.267 4.996 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.645 -2.689 5.030 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.330 -3.041 6.134 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.540 -4.928 7.077 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.803 -4.782 5.870 1.00 0.00 H new ATOM 0 HE21 GLN B 5 21.348 -3.116 6.009 1.00 0.00 H new ATOM 0 HE22 GLN B 5 21.558 -2.171 7.487 1.00 0.00 H new ATOM 626 N LEU B 6 16.818 -2.811 2.811 1.00 0.00 N ATOM 627 CA LEU B 6 15.890 -1.975 2.059 1.00 0.00 C ATOM 628 C LEU B 6 15.046 -2.794 1.083 1.00 0.00 C ATOM 629 O LEU B 6 13.865 -2.502 0.886 1.00 0.00 O ATOM 630 CB LEU B 6 16.642 -0.875 1.298 1.00 0.00 C ATOM 631 CG LEU B 6 16.979 0.394 2.098 1.00 0.00 C ATOM 632 CD1 LEU B 6 15.711 1.065 2.607 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.916 0.083 3.255 1.00 0.00 C ATOM 0 H LEU B 6 17.799 -2.674 2.567 1.00 0.00 H new ATOM 0 HA LEU B 6 15.218 -1.516 2.783 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.572 -1.297 0.916 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.044 -0.586 0.433 1.00 0.00 H new ATOM 0 HG LEU B 6 17.489 1.083 1.425 1.00 0.00 H new ATOM 0 HD11 LEU B 6 15.974 1.960 3.170 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.080 1.340 1.762 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.169 0.375 3.254 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.136 1.000 3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.441 -0.634 3.925 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.843 -0.340 2.869 1.00 0.00 H new ATOM 645 N GLU B 7 15.639 -3.824 0.479 1.00 0.00 N ATOM 646 CA GLU B 7 14.921 -4.644 -0.494 1.00 0.00 C ATOM 647 C GLU B 7 13.808 -5.436 0.185 1.00 0.00 C ATOM 648 O GLU B 7 12.837 -5.835 -0.456 1.00 0.00 O ATOM 649 CB GLU B 7 15.872 -5.590 -1.240 1.00 0.00 C ATOM 650 CG GLU B 7 16.428 -6.722 -0.391 1.00 0.00 C ATOM 651 CD GLU B 7 17.354 -7.632 -1.175 1.00 0.00 C ATOM 652 OE1 GLU B 7 18.577 -7.384 -1.162 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.855 -8.587 -1.807 1.00 0.00 O ATOM 0 H GLU B 7 16.605 -4.108 0.645 1.00 0.00 H new ATOM 0 HA GLU B 7 14.474 -3.971 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.344 -6.017 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.704 -5.009 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU B 7 16.968 -6.304 0.459 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.603 -7.309 0.013 1.00 0.00 H new ATOM 660 N ASP B 8 13.950 -5.656 1.486 1.00 0.00 N ATOM 661 CA ASP B 8 12.916 -6.328 2.259 1.00 0.00 C ATOM 662 C ASP B 8 11.786 -5.364 2.575 1.00 0.00 C ATOM 663 O ASP B 8 10.621 -5.750 2.606 1.00 0.00 O ATOM 664 CB ASP B 8 13.483 -6.912 3.553 1.00 0.00 C ATOM 665 CG ASP B 8 14.052 -8.301 3.359 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.197 -8.412 2.876 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.354 -9.281 3.691 1.00 0.00 O ATOM 0 H ASP B 8 14.770 -5.379 2.026 1.00 0.00 H new ATOM 0 HA ASP B 8 12.528 -7.150 1.657 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.263 -6.253 3.935 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.697 -6.946 4.308 1.00 0.00 H new ATOM 672 N LYS B 9 12.138 -4.104 2.789 1.00 0.00 N ATOM 673 CA LYS B 9 11.156 -3.073 3.090 1.00 0.00 C ATOM 674 C LYS B 9 10.272 -2.798 1.880 1.00 0.00 C ATOM 675 O LYS B 9 9.044 -2.858 1.973 1.00 0.00 O ATOM 676 CB LYS B 9 11.852 -1.782 3.531 1.00 0.00 C ATOM 677 CG LYS B 9 12.533 -1.873 4.885 1.00 0.00 C ATOM 678 CD LYS B 9 11.523 -2.068 6.005 1.00 0.00 C ATOM 679 CE LYS B 9 12.192 -2.045 7.370 1.00 0.00 C ATOM 680 NZ LYS B 9 11.213 -2.238 8.471 1.00 0.00 N ATOM 0 H LYS B 9 13.101 -3.770 2.759 1.00 0.00 H new ATOM 0 HA LYS B 9 10.528 -3.433 3.905 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.594 -1.508 2.781 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.117 -0.978 3.560 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.240 -2.703 4.883 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.108 -0.965 5.066 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.768 -1.284 5.956 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.006 -3.018 5.868 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.949 -2.828 7.416 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.708 -1.094 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.709 -2.216 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 10.505 -1.477 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.739 -3.157 8.357 1.00 0.00 H new ATOM 694 N VAL B 10 10.901 -2.515 0.744 1.00 0.00 N ATOM 695 CA VAL B 10 10.167 -2.182 -0.471 1.00 0.00 C ATOM 696 C VAL B 10 9.295 -3.351 -0.933 1.00 0.00 C ATOM 697 O VAL B 10 8.154 -3.152 -1.340 1.00 0.00 O ATOM 698 CB VAL B 10 11.111 -1.738 -1.617 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.126 -2.820 -1.954 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.312 -1.345 -2.851 1.00 0.00 C ATOM 0 H VAL B 10 11.916 -2.510 0.640 1.00 0.00 H new ATOM 0 HA VAL B 10 9.520 -1.340 -0.223 1.00 0.00 H new ATOM 0 HB VAL B 10 11.663 -0.864 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.771 -2.475 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.731 -3.038 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.604 -3.724 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.994 -1.037 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.724 -2.198 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.645 -0.519 -2.605 1.00 0.00 H new ATOM 710 N GLU B 11 9.821 -4.569 -0.843 1.00 0.00 N ATOM 711 CA GLU B 11 9.069 -5.750 -1.245 1.00 0.00 C ATOM 712 C GLU B 11 7.907 -5.994 -0.287 1.00 0.00 C ATOM 713 O GLU B 11 6.819 -6.396 -0.705 1.00 0.00 O ATOM 714 CB GLU B 11 9.979 -6.979 -1.290 1.00 0.00 C ATOM 715 CG GLU B 11 9.277 -8.242 -1.764 1.00 0.00 C ATOM 716 CD GLU B 11 10.192 -9.450 -1.782 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.330 -10.100 -0.726 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.766 -9.745 -2.851 1.00 0.00 O ATOM 0 H GLU B 11 10.761 -4.762 -0.497 1.00 0.00 H new ATOM 0 HA GLU B 11 8.670 -5.576 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.821 -6.772 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.389 -7.153 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.427 -8.446 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.880 -8.078 -2.766 1.00 0.00 H new ATOM 725 N GLU B 12 8.146 -5.741 0.995 1.00 0.00 N ATOM 726 CA GLU B 12 7.117 -5.916 2.014 1.00 0.00 C ATOM 727 C GLU B 12 5.891 -5.059 1.704 1.00 0.00 C ATOM 728 O GLU B 12 4.783 -5.580 1.575 1.00 0.00 O ATOM 729 CB GLU B 12 7.670 -5.573 3.401 1.00 0.00 C ATOM 730 CG GLU B 12 6.683 -5.812 4.532 1.00 0.00 C ATOM 731 CD GLU B 12 7.297 -5.594 5.900 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.230 -4.456 6.408 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.849 -6.563 6.462 1.00 0.00 O ATOM 0 H GLU B 12 9.043 -5.414 1.354 1.00 0.00 H new ATOM 0 HA GLU B 12 6.812 -6.962 2.010 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.566 -6.167 3.582 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.974 -4.526 3.412 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.830 -5.145 4.411 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.303 -6.831 4.467 1.00 0.00 H new ATOM 740 N LEU B 13 6.084 -3.749 1.584 1.00 0.00 N ATOM 741 CA LEU B 13 4.965 -2.859 1.280 1.00 0.00 C ATOM 742 C LEU B 13 4.494 -2.975 -0.167 1.00 0.00 C ATOM 743 O LEU B 13 3.365 -2.602 -0.471 1.00 0.00 O ATOM 744 CB LEU B 13 5.271 -1.402 1.627 1.00 0.00 C ATOM 745 CG LEU B 13 5.346 -1.123 3.124 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.759 -1.331 3.650 1.00 0.00 C ATOM 747 CD2 LEU B 13 4.850 0.279 3.432 1.00 0.00 C ATOM 0 H LEU B 13 6.986 -3.285 1.690 1.00 0.00 H new ATOM 0 HA LEU B 13 4.147 -3.193 1.919 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.219 -1.121 1.168 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.503 -0.766 1.187 1.00 0.00 H new ATOM 0 HG LEU B 13 4.696 -1.833 3.634 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.783 -1.125 4.720 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.065 -2.362 3.472 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.442 -0.655 3.135 1.00 0.00 H new ATOM 0 HD21 LEU B 13 4.911 0.459 4.505 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.467 1.007 2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 13 3.815 0.378 3.106 1.00 0.00 H new ATOM 759 N LEU B 14 5.342 -3.481 -1.057 1.00 0.00 N ATOM 760 CA LEU B 14 4.906 -3.811 -2.406 1.00 0.00 C ATOM 761 C LEU B 14 3.806 -4.865 -2.319 1.00 0.00 C ATOM 762 O LEU B 14 2.764 -4.752 -2.965 1.00 0.00 O ATOM 763 CB LEU B 14 6.117 -4.286 -3.245 1.00 0.00 C ATOM 764 CG LEU B 14 5.857 -4.727 -4.697 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.267 -6.128 -4.757 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.960 -3.734 -5.421 1.00 0.00 C ATOM 0 H LEU B 14 6.327 -3.670 -0.869 1.00 0.00 H new ATOM 0 HA LEU B 14 4.496 -2.935 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.847 -3.477 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.581 -5.121 -2.720 1.00 0.00 H new ATOM 0 HG LEU B 14 6.820 -4.749 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.096 -6.407 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.960 -6.835 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.321 -6.148 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.794 -4.072 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU B 14 4.004 -3.663 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.439 -2.755 -5.436 1.00 0.00 H new ATOM 778 N SER B 15 4.029 -5.866 -1.478 1.00 0.00 N ATOM 779 CA SER B 15 3.048 -6.909 -1.257 1.00 0.00 C ATOM 780 C SER B 15 1.883 -6.367 -0.426 1.00 0.00 C ATOM 781 O SER B 15 0.716 -6.622 -0.736 1.00 0.00 O ATOM 782 CB SER B 15 3.709 -8.100 -0.555 1.00 0.00 C ATOM 783 OG SER B 15 2.833 -9.211 -0.474 1.00 0.00 O ATOM 0 H SER B 15 4.887 -5.974 -0.937 1.00 0.00 H new ATOM 0 HA SER B 15 2.655 -7.245 -2.217 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.611 -8.386 -1.095 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.018 -7.806 0.448 1.00 0.00 H new ATOM 0 HG SER B 15 3.287 -9.953 -0.022 1.00 0.00 H new ATOM 789 N LYS B 16 2.206 -5.601 0.622 1.00 0.00 N ATOM 790 CA LYS B 16 1.189 -5.011 1.492 1.00 0.00 C ATOM 791 C LYS B 16 0.236 -4.109 0.700 1.00 0.00 C ATOM 792 O LYS B 16 -0.958 -4.062 0.985 1.00 0.00 O ATOM 793 CB LYS B 16 1.860 -4.215 2.619 1.00 0.00 C ATOM 794 CG LYS B 16 0.979 -4.014 3.845 1.00 0.00 C ATOM 795 CD LYS B 16 1.760 -3.400 4.999 1.00 0.00 C ATOM 796 CE LYS B 16 1.917 -1.893 4.851 1.00 0.00 C ATOM 797 NZ LYS B 16 0.686 -1.164 5.259 1.00 0.00 N ATOM 0 H LYS B 16 3.165 -5.376 0.886 1.00 0.00 H new ATOM 0 HA LYS B 16 0.602 -5.820 1.925 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.772 -4.730 2.920 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.157 -3.240 2.234 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.139 -3.369 3.589 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.562 -4.972 4.156 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.251 -3.620 5.937 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.746 -3.862 5.055 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.757 -1.554 5.457 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.154 -1.653 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.607 -0.283 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.147 -1.760 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.736 -0.939 6.273 1.00 0.00 H new ATOM 811 N ASN B 17 0.767 -3.401 -0.296 1.00 0.00 N ATOM 812 CA ASN B 17 -0.037 -2.520 -1.135 1.00 0.00 C ATOM 813 C ASN B 17 -1.066 -3.314 -1.932 1.00 0.00 C ATOM 814 O ASN B 17 -2.242 -2.966 -1.955 1.00 0.00 O ATOM 815 CB ASN B 17 0.865 -1.720 -2.082 1.00 0.00 C ATOM 816 CG ASN B 17 0.094 -0.751 -2.960 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.306 -1.085 -4.073 1.00 0.00 O ATOM 818 ND2 ASN B 17 -0.110 0.462 -2.470 1.00 0.00 N ATOM 0 H ASN B 17 1.757 -3.422 -0.541 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.571 -1.827 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.597 -1.166 -1.495 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.421 -2.411 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.615 1.156 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.237 0.702 -1.542 1.00 0.00 H new ATOM 825 N TYR B 18 -0.631 -4.393 -2.569 1.00 0.00 N ATOM 826 CA TYR B 18 -1.540 -5.214 -3.359 1.00 0.00 C ATOM 827 C TYR B 18 -2.555 -5.922 -2.471 1.00 0.00 C ATOM 828 O TYR B 18 -3.706 -6.106 -2.861 1.00 0.00 O ATOM 829 CB TYR B 18 -0.773 -6.224 -4.213 1.00 0.00 C ATOM 830 CG TYR B 18 -0.068 -5.587 -5.387 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.308 -5.677 -5.533 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.785 -4.884 -6.347 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.950 -5.087 -6.604 1.00 0.00 C ATOM 834 CE2 TYR B 18 -0.152 -4.294 -7.419 1.00 0.00 C ATOM 835 CZ TYR B 18 1.216 -4.396 -7.543 1.00 0.00 C ATOM 836 OH TYR B 18 1.854 -3.809 -8.614 1.00 0.00 O ATOM 0 H TYR B 18 0.336 -4.718 -2.555 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.083 -4.548 -4.030 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.040 -6.736 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.465 -6.982 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.887 -6.217 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.857 -4.799 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR B 18 3.022 -5.167 -6.705 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.725 -3.754 -8.158 1.00 0.00 H new ATOM 0 HH TYR B 18 1.193 -3.362 -9.183 1.00 0.00 H new ATOM 846 N HIS B 19 -2.136 -6.294 -1.268 1.00 0.00 N ATOM 847 CA HIS B 19 -3.048 -6.900 -0.302 1.00 0.00 C ATOM 848 C HIS B 19 -4.099 -5.884 0.127 1.00 0.00 C ATOM 849 O HIS B 19 -5.265 -6.220 0.336 1.00 0.00 O ATOM 850 CB HIS B 19 -2.289 -7.420 0.924 1.00 0.00 C ATOM 851 CG HIS B 19 -1.380 -8.575 0.633 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.410 -9.010 1.510 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.304 -9.394 -0.443 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.222 -10.043 0.985 1.00 0.00 C ATOM 855 NE2 HIS B 19 -0.302 -10.297 -0.198 1.00 0.00 N ATOM 0 H HIS B 19 -1.177 -6.188 -0.938 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.538 -7.747 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.701 -6.606 1.347 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.010 -7.721 1.684 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -1.919 -9.345 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS B 19 1.032 -10.588 1.447 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.009 -11.044 -0.828 1.00 0.00 H new ATOM 864 N LEU B 20 -3.678 -4.635 0.238 1.00 0.00 N ATOM 865 CA LEU B 20 -4.569 -3.553 0.595 1.00 0.00 C ATOM 866 C LEU B 20 -5.493 -3.224 -0.577 1.00 0.00 C ATOM 867 O LEU B 20 -6.634 -2.808 -0.382 1.00 0.00 O ATOM 868 CB LEU B 20 -3.743 -2.336 1.001 1.00 0.00 C ATOM 869 CG LEU B 20 -4.541 -1.099 1.392 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.402 -1.371 2.615 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.604 0.067 1.648 1.00 0.00 C ATOM 0 H LEU B 20 -2.712 -4.347 0.083 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.192 -3.852 1.438 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.106 -2.615 1.840 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.084 -2.074 0.173 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.204 -0.842 0.566 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.961 -0.472 2.873 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.098 -2.181 2.397 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.765 -1.655 3.453 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.185 0.946 1.927 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.919 -0.187 2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.034 0.281 0.744 1.00 0.00 H new ATOM 883 N GLU B 21 -4.999 -3.432 -1.793 1.00 0.00 N ATOM 884 CA GLU B 21 -5.812 -3.250 -2.988 1.00 0.00 C ATOM 885 C GLU B 21 -6.919 -4.298 -3.022 1.00 0.00 C ATOM 886 O GLU B 21 -8.043 -4.022 -3.446 1.00 0.00 O ATOM 887 CB GLU B 21 -4.951 -3.340 -4.250 1.00 0.00 C ATOM 888 CG GLU B 21 -5.666 -2.869 -5.507 1.00 0.00 C ATOM 889 CD GLU B 21 -4.810 -2.999 -6.752 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.768 -2.313 -6.831 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.190 -3.773 -7.655 1.00 0.00 O ATOM 0 H GLU B 21 -4.040 -3.727 -1.976 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.262 -2.258 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.050 -2.743 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.631 -4.373 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.580 -3.448 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.963 -1.828 -5.382 1.00 0.00 H new ATOM 898 N ASN B 22 -6.593 -5.499 -2.548 1.00 0.00 N ATOM 899 CA ASN B 22 -7.576 -6.569 -2.416 1.00 0.00 C ATOM 900 C ASN B 22 -8.685 -6.141 -1.464 1.00 0.00 C ATOM 901 O ASN B 22 -9.846 -6.524 -1.619 1.00 0.00 O ATOM 902 CB ASN B 22 -6.927 -7.855 -1.886 1.00 0.00 C ATOM 903 CG ASN B 22 -5.841 -8.410 -2.792 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.892 -9.042 -2.321 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.967 -8.190 -4.092 1.00 0.00 N ATOM 0 H ASN B 22 -5.652 -5.755 -2.248 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.990 -6.767 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.501 -7.658 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.699 -8.613 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -5.265 -8.548 -4.740 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -6.766 -7.663 -4.445 1.00 0.00 H new ATOM 912 N GLU B 23 -8.311 -5.321 -0.486 1.00 0.00 N ATOM 913 CA GLU B 23 -9.241 -4.856 0.528 1.00 0.00 C ATOM 914 C GLU B 23 -10.260 -3.889 -0.076 1.00 0.00 C ATOM 915 O GLU B 23 -11.446 -3.934 0.253 1.00 0.00 O ATOM 916 CB GLU B 23 -8.487 -4.184 1.679 1.00 0.00 C ATOM 917 CG GLU B 23 -9.379 -3.811 2.850 1.00 0.00 C ATOM 918 CD GLU B 23 -8.613 -3.157 3.979 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.382 -1.936 3.906 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.246 -3.868 4.935 1.00 0.00 O ATOM 0 H GLU B 23 -7.361 -4.965 -0.378 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.777 -5.720 0.921 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.702 -4.854 2.029 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.996 -3.285 1.306 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.160 -3.133 2.506 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.876 -4.707 3.224 1.00 0.00 H new ATOM 927 N VAL B 24 -9.801 -3.032 -0.980 1.00 0.00 N ATOM 928 CA VAL B 24 -10.694 -2.082 -1.636 1.00 0.00 C ATOM 929 C VAL B 24 -11.698 -2.843 -2.492 1.00 0.00 C ATOM 930 O VAL B 24 -12.857 -2.452 -2.617 1.00 0.00 O ATOM 931 CB VAL B 24 -9.938 -1.069 -2.532 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.739 0.218 -2.699 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.553 -0.772 -1.984 1.00 0.00 C ATOM 0 H VAL B 24 -8.826 -2.974 -1.274 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.195 -1.517 -0.850 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.818 -1.526 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.186 0.911 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.699 -0.009 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.905 0.672 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.049 -0.058 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.641 -0.350 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.974 -1.694 -1.940 1.00 0.00 H new ATOM 943 N ALA B 25 -11.247 -3.961 -3.047 1.00 0.00 N ATOM 944 CA ALA B 25 -12.093 -4.788 -3.893 1.00 0.00 C ATOM 945 C ALA B 25 -13.232 -5.413 -3.100 1.00 0.00 C ATOM 946 O ALA B 25 -14.302 -5.679 -3.646 1.00 0.00 O ATOM 947 CB ALA B 25 -11.274 -5.862 -4.582 1.00 0.00 C ATOM 0 H ALA B 25 -10.298 -4.315 -2.925 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.531 -4.142 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.926 -6.470 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.507 -5.395 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.800 -6.495 -3.832 1.00 0.00 H new ATOM 953 N ARG B 26 -13.008 -5.640 -1.811 1.00 0.00 N ATOM 954 CA ARG B 26 -14.052 -6.198 -0.956 1.00 0.00 C ATOM 955 C ARG B 26 -15.207 -5.219 -0.859 1.00 0.00 C ATOM 956 O ARG B 26 -16.359 -5.565 -1.128 1.00 0.00 O ATOM 957 CB ARG B 26 -13.553 -6.493 0.465 1.00 0.00 C ATOM 958 CG ARG B 26 -12.093 -6.883 0.561 1.00 0.00 C ATOM 959 CD ARG B 26 -11.798 -7.618 1.856 1.00 0.00 C ATOM 960 NE ARG B 26 -12.566 -8.858 1.969 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.428 -9.730 2.965 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.526 -9.518 3.917 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.184 -10.818 3.005 1.00 0.00 N ATOM 0 H ARG B 26 -12.125 -5.450 -1.338 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.366 -7.138 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -13.720 -5.611 1.083 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -14.157 -7.296 0.887 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.828 -7.515 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.472 -5.990 0.499 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -10.733 -7.845 1.910 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.029 -6.970 2.701 1.00 0.00 H new ATOM 0 HE ARG B 26 -13.249 -9.067 1.240 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.937 -8.686 3.886 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.422 -10.188 4.679 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -13.873 -10.988 2.272 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.077 -11.485 3.769 1.00 0.00 H new ATOM 977 N LEU B 27 -14.873 -3.986 -0.502 1.00 0.00 N ATOM 978 CA LEU B 27 -15.873 -2.971 -0.212 1.00 0.00 C ATOM 979 C LEU B 27 -16.739 -2.643 -1.418 1.00 0.00 C ATOM 980 O LEU B 27 -17.956 -2.553 -1.288 1.00 0.00 O ATOM 981 CB LEU B 27 -15.225 -1.692 0.318 1.00 0.00 C ATOM 982 CG LEU B 27 -14.807 -1.719 1.792 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.726 -2.749 2.062 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.342 -0.349 2.226 1.00 0.00 C ATOM 0 H LEU B 27 -13.910 -3.665 -0.406 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.519 -3.393 0.558 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.344 -1.476 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.922 -0.867 0.172 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.683 -2.007 2.374 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.462 -2.731 3.120 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.093 -3.740 1.796 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.845 -2.516 1.464 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.048 -0.380 3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.490 -0.045 1.619 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.153 0.368 2.098 1.00 0.00 H new ATOM 996 N LYS B 28 -16.134 -2.455 -2.589 1.00 0.00 N ATOM 997 CA LYS B 28 -16.918 -2.077 -3.764 1.00 0.00 C ATOM 998 C LYS B 28 -17.911 -3.164 -4.168 1.00 0.00 C ATOM 999 O LYS B 28 -18.940 -2.865 -4.767 1.00 0.00 O ATOM 1000 CB LYS B 28 -16.043 -1.656 -4.952 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.884 -2.578 -5.286 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.048 -1.975 -6.406 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.834 -2.821 -6.744 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.100 -2.292 -7.925 1.00 0.00 N ATOM 0 H LYS B 28 -15.132 -2.554 -2.749 1.00 0.00 H new ATOM 0 HA LYS B 28 -17.493 -1.200 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -16.679 -1.570 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.644 -0.662 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.265 -2.734 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.261 -3.555 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.667 -1.861 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.722 -0.977 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.164 -2.854 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.149 -3.846 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.278 -2.898 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.731 -2.284 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.777 -1.323 -7.728 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.632 -4.416 -3.818 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.593 -5.479 -4.033 1.00 0.00 C ATOM 1020 C LYS B 29 -19.809 -5.270 -3.134 1.00 0.00 C ATOM 1021 O LYS B 29 -20.943 -5.526 -3.538 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.955 -6.845 -3.769 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.842 -7.214 -4.747 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.339 -8.641 -4.547 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.486 -8.804 -3.295 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.295 -8.865 -2.047 1.00 0.00 N ATOM 0 H LYS B 29 -16.755 -4.712 -3.389 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.917 -5.454 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.552 -6.856 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.730 -7.610 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.207 -7.100 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.011 -6.519 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.193 -9.316 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.756 -8.940 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.892 -9.714 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.786 -7.972 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.883 -9.568 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.296 -7.932 -1.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.271 -9.138 -2.279 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.565 -4.769 -1.928 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.639 -4.425 -1.001 1.00 0.00 C ATOM 1042 C LEU B 30 -21.368 -3.167 -1.467 1.00 0.00 C ATOM 1043 O LEU B 30 -22.576 -3.031 -1.265 1.00 0.00 O ATOM 1044 CB LEU B 30 -20.100 -4.215 0.417 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.894 -5.485 1.253 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.795 -6.358 0.672 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.575 -5.121 2.693 1.00 0.00 C ATOM 0 H LEU B 30 -18.628 -4.591 -1.567 1.00 0.00 H new ATOM 0 HA LEU B 30 -21.341 -5.259 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -19.147 -3.691 0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.787 -3.559 0.952 1.00 0.00 H new ATOM 0 HG LEU B 30 -20.822 -6.057 1.229 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.675 -7.249 1.288 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.062 -6.652 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.859 -5.800 0.654 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.431 -6.031 3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -18.664 -4.523 2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.400 -4.547 3.115 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.628 -2.249 -2.083 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.218 -1.033 -2.634 1.00 0.00 C ATOM 1061 C VAL B 31 -22.125 -1.377 -3.819 1.00 0.00 C ATOM 1062 O VAL B 31 -23.097 -0.670 -4.101 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.133 -0.008 -3.072 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.768 1.275 -3.592 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.199 0.310 -1.918 1.00 0.00 C ATOM 0 H VAL B 31 -19.619 -2.324 -2.213 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.811 -0.569 -1.846 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.557 -0.461 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.986 1.973 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.398 1.047 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.375 1.725 -2.806 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.448 1.029 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.771 0.734 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.706 -0.604 -1.586 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.817 -2.484 -4.489 1.00 0.00 N ATOM 1076 CA GLY B 32 -22.632 -2.929 -5.602 1.00 0.00 C ATOM 1077 C GLY B 32 -21.802 -3.399 -6.777 1.00 0.00 C ATOM 1078 O GLY B 32 -22.113 -3.072 -7.924 1.00 0.00 O ATOM 0 H GLY B 32 -21.016 -3.080 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.280 -3.741 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -23.280 -2.113 -5.922 1.00 0.00 H new ATOM 1082 N GLU B 33 -20.753 -4.170 -6.482 1.00 0.00 N ATOM 1083 CA GLU B 33 -19.837 -4.696 -7.499 1.00 0.00 C ATOM 1084 C GLU B 33 -19.166 -3.570 -8.281 1.00 0.00 C ATOM 1085 O GLU B 33 -19.661 -3.210 -9.371 1.00 0.00 O ATOM 1086 CB GLU B 33 -20.562 -5.653 -8.452 1.00 0.00 C ATOM 1087 CG GLU B 33 -21.029 -6.937 -7.785 1.00 0.00 C ATOM 1088 CD GLU B 33 -21.717 -7.877 -8.756 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.964 -7.931 -8.751 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -21.007 -8.557 -9.526 1.00 0.00 O ATOM 1091 OXT GLU B 33 -18.138 -3.047 -7.802 1.00 0.00 O ATOM 0 H GLU B 33 -20.514 -4.448 -5.530 1.00 0.00 H new ATOM 0 HA GLU B 33 -19.059 -5.254 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -21.424 -5.142 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -19.896 -5.904 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -20.173 -7.443 -7.339 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -21.714 -6.693 -6.973 1.00 0.00 H new TER 1098 GLU B 33