USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ARG N :NH3+ 168:sc= -0.0695 (180deg=-0.303) USER MOD Set 1.2: A 2 ASN : amide:sc= -0.169 K(o=-0.24,f=-3.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.47 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -35:sc= 1.09 USER MOD Single : A 12 MET CE :methyl 163:sc= -0.0871 (180deg=-0.632) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0344) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.156 X(o=-0.16,f=0.18) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 85:sc= 0.0654 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.15) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0316 (180deg=-0.242) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.307 -16.766 10.851 1.00 0.00 N ATOM 2 CA ARG A 1 -4.121 -16.353 12.271 1.00 0.00 C ATOM 3 C ARG A 1 -3.757 -14.866 12.394 1.00 0.00 C ATOM 4 O ARG A 1 -3.270 -14.423 13.431 1.00 0.00 O ATOM 5 CB ARG A 1 -3.028 -17.205 12.927 1.00 0.00 C ATOM 6 CG ARG A 1 -1.651 -17.023 12.305 1.00 0.00 C ATOM 7 CD ARG A 1 -0.635 -17.986 12.894 1.00 0.00 C ATOM 8 NE ARG A 1 -0.283 -17.652 14.271 1.00 0.00 N ATOM 9 CZ ARG A 1 0.885 -17.897 14.798 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.823 -18.438 14.086 1.00 0.00 N ATOM 11 NH2 ARG A 1 1.119 -17.593 16.034 1.00 0.00 N ATOM 0 H1 ARG A 1 -4.349 -17.804 10.794 1.00 0.00 H new ATOM 0 H2 ARG A 1 -5.193 -16.363 10.485 1.00 0.00 H new ATOM 0 H3 ARG A 1 -3.508 -16.420 10.281 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.071 -16.509 12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -2.973 -16.956 13.987 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -3.310 -18.256 12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -1.715 -17.176 11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.314 -15.998 12.461 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -1.037 -18.999 12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.266 -17.980 12.280 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.989 -17.202 14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.650 -18.674 13.109 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.735 -18.628 14.503 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.389 -17.160 16.600 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.034 -17.786 16.442 1.00 0.00 H new ATOM 27 N ASN A 2 -3.998 -14.094 11.340 1.00 0.00 N ATOM 28 CA ASN A 2 -3.683 -12.665 11.353 1.00 0.00 C ATOM 29 C ASN A 2 -4.795 -11.840 10.700 1.00 0.00 C ATOM 30 O ASN A 2 -5.761 -12.390 10.172 1.00 0.00 O ATOM 31 CB ASN A 2 -2.357 -12.404 10.630 1.00 0.00 C ATOM 32 CG ASN A 2 -2.413 -12.750 9.153 1.00 0.00 C ATOM 33 OD1 ASN A 2 -2.973 -13.764 8.754 1.00 0.00 O ATOM 34 ND2 ASN A 2 -1.843 -11.900 8.324 1.00 0.00 N ATOM 0 H ASN A 2 -4.408 -14.429 10.468 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.595 -12.358 12.395 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.088 -11.354 10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.569 -12.987 11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.860 -12.078 7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.384 -11.064 8.686 1.00 0.00 H new ATOM 41 N LEU A 3 -4.663 -10.520 10.746 1.00 0.00 N ATOM 42 CA LEU A 3 -5.652 -9.636 10.132 1.00 0.00 C ATOM 43 C LEU A 3 -5.574 -9.714 8.605 1.00 0.00 C ATOM 44 O LEU A 3 -4.536 -10.072 8.046 1.00 0.00 O ATOM 45 CB LEU A 3 -5.443 -8.188 10.586 1.00 0.00 C ATOM 46 CG LEU A 3 -6.276 -7.758 11.794 1.00 0.00 C ATOM 47 CD1 LEU A 3 -5.738 -8.386 13.070 1.00 0.00 C ATOM 48 CD2 LEU A 3 -6.297 -6.242 11.911 1.00 0.00 C ATOM 0 H LEU A 3 -3.886 -10.038 11.199 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.640 -9.967 10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.389 -8.047 10.823 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.673 -7.526 9.752 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.298 -8.108 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.345 -8.067 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.776 -9.472 12.985 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.706 -8.070 13.224 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.894 -5.952 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.279 -5.872 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.733 -5.813 11.009 1.00 0.00 H new ATOM 60 N SER A 4 -6.668 -9.394 7.933 1.00 0.00 N ATOM 61 CA SER A 4 -6.703 -9.437 6.471 1.00 0.00 C ATOM 62 C SER A 4 -5.820 -8.356 5.848 1.00 0.00 C ATOM 63 O SER A 4 -6.184 -7.178 5.817 1.00 0.00 O ATOM 64 CB SER A 4 -8.132 -9.278 5.947 1.00 0.00 C ATOM 65 OG SER A 4 -8.139 -9.108 4.535 1.00 0.00 O ATOM 0 H SER A 4 -7.542 -9.102 8.370 1.00 0.00 H new ATOM 0 HA SER A 4 -6.317 -10.414 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.721 -10.155 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.605 -8.419 6.423 1.00 0.00 H new ATOM 0 HG SER A 4 -9.062 -9.010 4.222 1.00 0.00 H new ATOM 71 N ASP A 5 -4.657 -8.764 5.351 1.00 0.00 N ATOM 72 CA ASP A 5 -3.728 -7.836 4.713 1.00 0.00 C ATOM 73 C ASP A 5 -4.380 -7.185 3.489 1.00 0.00 C ATOM 74 O ASP A 5 -4.127 -6.025 3.176 1.00 0.00 O ATOM 75 CB ASP A 5 -2.451 -8.563 4.290 1.00 0.00 C ATOM 76 CG ASP A 5 -2.102 -9.714 5.207 1.00 0.00 C ATOM 77 OD1 ASP A 5 -2.754 -10.777 5.107 1.00 0.00 O ATOM 78 OD2 ASP A 5 -1.171 -9.570 6.024 1.00 0.00 O ATOM 0 H ASP A 5 -4.335 -9.731 5.377 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.472 -7.060 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.571 -8.938 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.623 -7.854 4.273 1.00 0.00 H new ATOM 83 N ARG A 6 -5.243 -7.941 2.811 1.00 0.00 N ATOM 84 CA ARG A 6 -5.935 -7.443 1.626 1.00 0.00 C ATOM 85 C ARG A 6 -6.916 -6.328 1.985 1.00 0.00 C ATOM 86 O ARG A 6 -6.961 -5.297 1.311 1.00 0.00 O ATOM 87 CB ARG A 6 -6.663 -8.577 0.909 1.00 0.00 C ATOM 88 CG ARG A 6 -6.423 -8.578 -0.590 1.00 0.00 C ATOM 89 CD ARG A 6 -5.969 -9.941 -1.082 1.00 0.00 C ATOM 90 NE ARG A 6 -7.093 -10.838 -1.299 1.00 0.00 N ATOM 91 CZ ARG A 6 -6.975 -12.096 -1.611 1.00 0.00 C ATOM 92 NH1 ARG A 6 -5.806 -12.632 -1.766 1.00 0.00 N ATOM 93 NH2 ARG A 6 -8.034 -12.820 -1.778 1.00 0.00 N ATOM 0 H ARG A 6 -5.479 -8.901 3.063 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.183 -7.030 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.338 -9.531 1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.733 -8.494 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.339 -8.291 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.669 -7.831 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.412 -9.825 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.287 -10.382 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.034 -10.457 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.966 -12.067 -1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.726 -13.619 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.959 -12.405 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.944 -13.806 -2.023 1.00 0.00 H new ATOM 107 N ALA A 7 -7.700 -6.537 3.043 1.00 0.00 N ATOM 108 CA ALA A 7 -8.652 -5.526 3.497 1.00 0.00 C ATOM 109 C ALA A 7 -7.908 -4.267 3.948 1.00 0.00 C ATOM 110 O ALA A 7 -8.332 -3.147 3.668 1.00 0.00 O ATOM 111 CB ALA A 7 -9.512 -6.071 4.626 1.00 0.00 C ATOM 0 H ALA A 7 -7.694 -7.393 3.598 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.307 -5.265 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.215 -5.304 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.064 -6.943 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.875 -6.357 5.463 1.00 0.00 H new ATOM 117 N LYS A 8 -6.789 -4.469 4.639 1.00 0.00 N ATOM 118 CA LYS A 8 -5.950 -3.366 5.114 1.00 0.00 C ATOM 119 C LYS A 8 -5.356 -2.591 3.928 1.00 0.00 C ATOM 120 O LYS A 8 -5.253 -1.366 3.947 1.00 0.00 O ATOM 121 CB LYS A 8 -4.829 -3.928 5.986 1.00 0.00 C ATOM 122 CG LYS A 8 -4.297 -2.952 7.019 1.00 0.00 C ATOM 123 CD LYS A 8 -3.361 -3.645 7.996 1.00 0.00 C ATOM 124 CE LYS A 8 -2.547 -2.641 8.792 1.00 0.00 C ATOM 125 NZ LYS A 8 -1.654 -3.305 9.777 1.00 0.00 N ATOM 0 H LYS A 8 -6.438 -5.394 4.885 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.561 -2.679 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.194 -4.819 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.007 -4.244 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.769 -2.140 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.129 -2.504 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.941 -4.268 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.690 -4.309 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.949 -2.037 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.220 -1.961 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.116 -2.584 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.226 -3.861 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.994 -3.935 9.278 1.00 0.00 H new ATOM 139 N PHE A 9 -4.953 -3.328 2.905 1.00 0.00 N ATOM 140 CA PHE A 9 -4.393 -2.741 1.691 1.00 0.00 C ATOM 141 C PHE A 9 -5.396 -1.820 0.996 1.00 0.00 C ATOM 142 O PHE A 9 -5.142 -0.632 0.817 1.00 0.00 O ATOM 143 CB PHE A 9 -3.988 -3.854 0.735 1.00 0.00 C ATOM 144 CG PHE A 9 -3.040 -3.419 -0.349 1.00 0.00 C ATOM 145 CD1 PHE A 9 -1.687 -3.276 -0.090 1.00 0.00 C ATOM 146 CD2 PHE A 9 -3.505 -3.154 -1.627 1.00 0.00 C ATOM 147 CE1 PHE A 9 -0.816 -2.878 -1.085 1.00 0.00 C ATOM 148 CE2 PHE A 9 -2.638 -2.755 -2.627 1.00 0.00 C ATOM 149 CZ PHE A 9 -1.292 -2.616 -2.355 1.00 0.00 C ATOM 0 H PHE A 9 -5.003 -4.347 2.889 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.525 -2.145 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.525 -4.658 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.885 -4.266 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.309 -3.478 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.558 -3.260 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.237 -2.772 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.013 -2.552 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.612 -2.303 -3.134 1.00 0.00 H new ATOM 159 N GLU A 10 -6.544 -2.376 0.618 1.00 0.00 N ATOM 160 CA GLU A 10 -7.583 -1.606 -0.067 1.00 0.00 C ATOM 161 C GLU A 10 -8.181 -0.515 0.829 1.00 0.00 C ATOM 162 O GLU A 10 -8.778 0.440 0.333 1.00 0.00 O ATOM 163 CB GLU A 10 -8.698 -2.529 -0.566 1.00 0.00 C ATOM 164 CG GLU A 10 -9.339 -3.362 0.531 1.00 0.00 C ATOM 165 CD GLU A 10 -10.739 -3.813 0.181 1.00 0.00 C ATOM 166 OE1 GLU A 10 -10.885 -4.781 -0.594 1.00 0.00 O ATOM 167 OE2 GLU A 10 -11.703 -3.204 0.686 1.00 0.00 O ATOM 0 H GLU A 10 -6.780 -3.356 0.773 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.106 -1.118 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.467 -1.926 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.292 -3.196 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.719 -4.237 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.369 -2.780 1.452 1.00 0.00 H new ATOM 174 N SER A 11 -8.013 -0.645 2.143 1.00 0.00 N ATOM 175 CA SER A 11 -8.566 0.354 3.071 1.00 0.00 C ATOM 176 C SER A 11 -7.680 1.592 3.089 1.00 0.00 C ATOM 177 O SER A 11 -8.152 2.724 3.202 1.00 0.00 O ATOM 178 CB SER A 11 -8.739 -0.207 4.490 1.00 0.00 C ATOM 179 OG SER A 11 -7.498 -0.397 5.146 1.00 0.00 O ATOM 0 H SER A 11 -7.510 -1.413 2.588 1.00 0.00 H new ATOM 0 HA SER A 11 -9.559 0.626 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.357 0.474 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.271 -1.157 4.441 1.00 0.00 H new ATOM 0 HG SER A 11 -6.823 -0.680 4.494 1.00 0.00 H new ATOM 185 N MET A 12 -6.386 1.354 2.980 1.00 0.00 N ATOM 186 CA MET A 12 -5.401 2.418 2.940 1.00 0.00 C ATOM 187 C MET A 12 -5.297 2.988 1.528 1.00 0.00 C ATOM 188 O MET A 12 -5.195 4.196 1.330 1.00 0.00 O ATOM 189 CB MET A 12 -4.049 1.862 3.351 1.00 0.00 C ATOM 190 CG MET A 12 -3.352 2.671 4.429 1.00 0.00 C ATOM 191 SD MET A 12 -4.241 2.650 6.000 1.00 0.00 S ATOM 192 CE MET A 12 -4.119 0.917 6.437 1.00 0.00 C ATOM 0 H MET A 12 -5.988 0.417 2.917 1.00 0.00 H new ATOM 0 HA MET A 12 -5.706 3.210 3.624 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.180 0.840 3.706 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.405 1.814 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.347 2.278 4.580 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.244 3.702 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.343 0.792 7.496 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.831 0.342 5.845 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.109 0.561 6.236 1.00 0.00 H new ATOM 202 N ILE A 13 -5.329 2.088 0.552 1.00 0.00 N ATOM 203 CA ILE A 13 -5.229 2.454 -0.853 1.00 0.00 C ATOM 204 C ILE A 13 -6.498 3.166 -1.358 1.00 0.00 C ATOM 205 O ILE A 13 -6.479 3.818 -2.402 1.00 0.00 O ATOM 206 CB ILE A 13 -4.939 1.202 -1.727 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.825 1.496 -2.728 1.00 0.00 C ATOM 208 CG2 ILE A 13 -6.186 0.705 -2.449 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.447 1.425 -2.116 1.00 0.00 C ATOM 0 H ILE A 13 -5.425 1.085 0.714 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.398 3.154 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.614 0.407 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.888 0.785 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.978 2.489 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.935 -0.171 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.948 0.438 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.568 1.492 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.699 1.643 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.369 2.155 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.277 0.425 -1.717 1.00 0.00 H new ATOM 221 N ASN A 14 -7.587 3.028 -0.601 1.00 0.00 N ATOM 222 CA ASN A 14 -8.883 3.625 -0.945 1.00 0.00 C ATOM 223 C ASN A 14 -8.769 5.109 -1.336 1.00 0.00 C ATOM 224 O ASN A 14 -8.978 5.470 -2.493 1.00 0.00 O ATOM 225 CB ASN A 14 -9.848 3.458 0.229 1.00 0.00 C ATOM 226 CG ASN A 14 -11.259 3.880 -0.112 1.00 0.00 C ATOM 227 OD1 ASN A 14 -11.628 5.041 0.037 1.00 0.00 O ATOM 228 ND2 ASN A 14 -12.066 2.941 -0.560 1.00 0.00 N ATOM 0 H ASN A 14 -7.598 2.498 0.271 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.264 3.100 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.851 2.415 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.491 4.047 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.032 3.168 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.725 1.986 -0.671 1.00 0.00 H new ATOM 235 N SER A 15 -8.449 5.967 -0.373 1.00 0.00 N ATOM 236 CA SER A 15 -8.310 7.402 -0.649 1.00 0.00 C ATOM 237 C SER A 15 -7.194 8.041 0.188 1.00 0.00 C ATOM 238 O SER A 15 -7.459 8.765 1.151 1.00 0.00 O ATOM 239 CB SER A 15 -9.634 8.131 -0.386 1.00 0.00 C ATOM 240 OG SER A 15 -9.490 9.538 -0.532 1.00 0.00 O ATOM 0 H SER A 15 -8.281 5.703 0.598 1.00 0.00 H new ATOM 0 HA SER A 15 -8.042 7.502 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.394 7.768 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.983 7.902 0.621 1.00 0.00 H new ATOM 0 HG SER A 15 -10.350 9.975 -0.360 1.00 0.00 H new ATOM 246 N PRO A 16 -5.926 7.778 -0.159 1.00 0.00 N ATOM 247 CA PRO A 16 -4.781 8.327 0.557 1.00 0.00 C ATOM 248 C PRO A 16 -4.231 9.630 -0.052 1.00 0.00 C ATOM 249 O PRO A 16 -4.032 9.734 -1.263 1.00 0.00 O ATOM 250 CB PRO A 16 -3.755 7.205 0.419 1.00 0.00 C ATOM 251 CG PRO A 16 -4.070 6.535 -0.887 1.00 0.00 C ATOM 252 CD PRO A 16 -5.494 6.896 -1.253 1.00 0.00 C ATOM 0 HA PRO A 16 -5.036 8.605 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.739 7.599 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.828 6.502 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.379 6.865 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.959 5.454 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.543 7.402 -2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.125 6.010 -1.325 1.00 0.00 H new ATOM 260 N SER A 17 -3.997 10.625 0.799 1.00 0.00 N ATOM 261 CA SER A 17 -3.435 11.908 0.354 1.00 0.00 C ATOM 262 C SER A 17 -1.935 11.755 0.092 1.00 0.00 C ATOM 263 O SER A 17 -1.398 10.669 0.242 1.00 0.00 O ATOM 264 CB SER A 17 -3.651 12.984 1.421 1.00 0.00 C ATOM 265 OG SER A 17 -4.407 14.072 0.913 1.00 0.00 O ATOM 0 H SER A 17 -4.186 10.573 1.800 1.00 0.00 H new ATOM 0 HA SER A 17 -3.941 12.207 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.166 12.550 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.686 13.344 1.777 1.00 0.00 H new ATOM 0 HG SER A 17 -4.530 14.742 1.617 1.00 0.00 H new ATOM 271 N LYS A 18 -1.250 12.827 -0.288 1.00 0.00 N ATOM 272 CA LYS A 18 0.194 12.740 -0.539 1.00 0.00 C ATOM 273 C LYS A 18 0.949 12.376 0.750 1.00 0.00 C ATOM 274 O LYS A 18 1.672 11.373 0.803 1.00 0.00 O ATOM 275 CB LYS A 18 0.725 14.058 -1.105 1.00 0.00 C ATOM 276 CG LYS A 18 2.170 13.981 -1.569 1.00 0.00 C ATOM 277 CD LYS A 18 2.644 15.304 -2.147 1.00 0.00 C ATOM 278 CE LYS A 18 2.745 16.382 -1.079 1.00 0.00 C ATOM 279 NZ LYS A 18 3.896 16.157 -0.164 1.00 0.00 N ATOM 0 H LYS A 18 -1.656 13.752 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 18 0.361 11.953 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.098 14.363 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.637 14.833 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.807 13.701 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.270 13.198 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.617 15.167 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.955 15.628 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.847 17.356 -1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.822 16.406 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.009 16.981 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.722 15.308 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.763 16.025 -0.723 1.00 0.00 H new ATOM 293 N SER A 19 0.757 13.183 1.793 1.00 0.00 N ATOM 294 CA SER A 19 1.399 12.944 3.091 1.00 0.00 C ATOM 295 C SER A 19 0.902 11.632 3.701 1.00 0.00 C ATOM 296 O SER A 19 1.657 10.897 4.353 1.00 0.00 O ATOM 297 CB SER A 19 1.110 14.100 4.053 1.00 0.00 C ATOM 298 OG SER A 19 -0.276 14.196 4.342 1.00 0.00 O ATOM 0 H SER A 19 0.161 14.010 1.767 1.00 0.00 H new ATOM 0 HA SER A 19 2.475 12.876 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.667 13.954 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.458 15.036 3.616 1.00 0.00 H new ATOM 0 HG SER A 19 -0.431 14.941 4.959 1.00 0.00 H new ATOM 304 N VAL A 20 -0.376 11.346 3.486 1.00 0.00 N ATOM 305 CA VAL A 20 -0.984 10.118 3.979 1.00 0.00 C ATOM 306 C VAL A 20 -0.387 8.904 3.260 1.00 0.00 C ATOM 307 O VAL A 20 -0.015 7.917 3.889 1.00 0.00 O ATOM 308 CB VAL A 20 -2.515 10.132 3.784 1.00 0.00 C ATOM 309 CG1 VAL A 20 -3.144 8.838 4.279 1.00 0.00 C ATOM 310 CG2 VAL A 20 -3.126 11.327 4.496 1.00 0.00 C ATOM 0 H VAL A 20 -1.014 11.952 2.970 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.773 10.050 5.046 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.720 10.217 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.223 8.877 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.730 7.997 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.930 8.712 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.206 11.324 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.904 11.268 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.707 12.247 4.088 1.00 0.00 H new ATOM 320 N PHE A 21 -0.272 9.005 1.938 1.00 0.00 N ATOM 321 CA PHE A 21 0.280 7.930 1.123 1.00 0.00 C ATOM 322 C PHE A 21 1.652 7.477 1.619 1.00 0.00 C ATOM 323 O PHE A 21 1.853 6.300 1.833 1.00 0.00 O ATOM 324 CB PHE A 21 0.382 8.352 -0.345 1.00 0.00 C ATOM 325 CG PHE A 21 1.127 7.366 -1.198 1.00 0.00 C ATOM 326 CD1 PHE A 21 0.588 6.118 -1.466 1.00 0.00 C ATOM 327 CD2 PHE A 21 2.372 7.681 -1.719 1.00 0.00 C ATOM 328 CE1 PHE A 21 1.275 5.206 -2.238 1.00 0.00 C ATOM 329 CE2 PHE A 21 3.064 6.771 -2.491 1.00 0.00 C ATOM 330 CZ PHE A 21 2.515 5.532 -2.752 1.00 0.00 C ATOM 0 H PHE A 21 -0.557 9.828 1.407 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.408 7.089 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.622 8.484 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.879 9.320 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.381 5.857 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.805 8.650 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.844 4.237 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.034 7.028 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.054 4.818 -3.357 1.00 0.00 H new ATOM 340 N VAL A 22 2.590 8.400 1.814 1.00 0.00 N ATOM 341 CA VAL A 22 3.933 8.018 2.274 1.00 0.00 C ATOM 342 C VAL A 22 3.937 7.406 3.690 1.00 0.00 C ATOM 343 O VAL A 22 4.462 6.298 3.900 1.00 0.00 O ATOM 344 CB VAL A 22 4.921 9.201 2.237 1.00 0.00 C ATOM 345 CG1 VAL A 22 5.616 9.270 0.887 1.00 0.00 C ATOM 346 CG2 VAL A 22 4.226 10.517 2.546 1.00 0.00 C ATOM 0 H VAL A 22 2.455 9.400 1.666 1.00 0.00 H new ATOM 0 HA VAL A 22 4.261 7.254 1.569 1.00 0.00 H new ATOM 0 HB VAL A 22 5.671 9.033 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.310 10.111 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.165 8.344 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.872 9.405 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.952 11.329 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.444 10.698 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.782 10.469 3.540 1.00 0.00 H new ATOM 356 N ARG A 23 3.333 8.108 4.655 1.00 0.00 N ATOM 357 CA ARG A 23 3.295 7.623 6.042 1.00 0.00 C ATOM 358 C ARG A 23 2.604 6.252 6.146 1.00 0.00 C ATOM 359 O ARG A 23 2.891 5.464 7.048 1.00 0.00 O ATOM 360 CB ARG A 23 2.610 8.643 6.961 1.00 0.00 C ATOM 361 CG ARG A 23 1.091 8.602 6.925 1.00 0.00 C ATOM 362 CD ARG A 23 0.492 9.199 8.187 1.00 0.00 C ATOM 363 NE ARG A 23 -0.900 8.805 8.373 1.00 0.00 N ATOM 364 CZ ARG A 23 -1.323 8.062 9.361 1.00 0.00 C ATOM 365 NH1 ARG A 23 -0.493 7.599 10.246 1.00 0.00 N ATOM 366 NH2 ARG A 23 -2.582 7.776 9.456 1.00 0.00 N ATOM 0 H ARG A 23 2.868 9.004 4.506 1.00 0.00 H new ATOM 0 HA ARG A 23 4.327 7.500 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.942 8.471 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.941 9.644 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.731 9.150 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.756 7.571 6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.077 8.882 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.557 10.286 8.140 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.585 9.129 7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.501 7.814 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.836 7.020 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.239 8.130 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.917 7.196 10.226 1.00 0.00 H new ATOM 380 N ASN A 24 1.692 5.977 5.223 1.00 0.00 N ATOM 381 CA ASN A 24 0.992 4.698 5.204 1.00 0.00 C ATOM 382 C ASN A 24 1.672 3.716 4.240 1.00 0.00 C ATOM 383 O ASN A 24 1.515 2.509 4.371 1.00 0.00 O ATOM 384 CB ASN A 24 -0.474 4.894 4.826 1.00 0.00 C ATOM 385 CG ASN A 24 -1.279 5.495 5.963 1.00 0.00 C ATOM 386 OD1 ASN A 24 -1.437 6.704 6.062 1.00 0.00 O ATOM 387 ND2 ASN A 24 -1.787 4.653 6.835 1.00 0.00 N ATOM 0 H ASN A 24 1.420 6.620 4.479 1.00 0.00 H new ATOM 0 HA ASN A 24 1.035 4.273 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.540 5.543 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.907 3.934 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.332 5.002 7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.637 3.650 6.723 1.00 0.00 H new ATOM 394 N LEU A 25 2.416 4.254 3.271 1.00 0.00 N ATOM 395 CA LEU A 25 3.156 3.462 2.280 1.00 0.00 C ATOM 396 C LEU A 25 4.047 2.432 2.957 1.00 0.00 C ATOM 397 O LEU A 25 4.184 1.321 2.470 1.00 0.00 O ATOM 398 CB LEU A 25 4.011 4.376 1.395 1.00 0.00 C ATOM 399 CG LEU A 25 4.883 3.665 0.358 1.00 0.00 C ATOM 400 CD1 LEU A 25 4.019 2.994 -0.695 1.00 0.00 C ATOM 401 CD2 LEU A 25 5.847 4.651 -0.284 1.00 0.00 C ATOM 0 H LEU A 25 2.524 5.261 3.149 1.00 0.00 H new ATOM 0 HA LEU A 25 2.426 2.939 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.350 5.069 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.657 4.974 2.038 1.00 0.00 H new ATOM 0 HG LEU A 25 5.464 2.893 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.657 2.494 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.368 2.261 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.411 3.745 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.462 4.132 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.283 5.443 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.488 5.085 0.483 1.00 0.00 H new ATOM 413 N ASN A 26 4.681 2.823 4.056 1.00 0.00 N ATOM 414 CA ASN A 26 5.524 1.887 4.814 1.00 0.00 C ATOM 415 C ASN A 26 4.756 0.572 5.095 1.00 0.00 C ATOM 416 O ASN A 26 5.190 -0.526 4.716 1.00 0.00 O ATOM 417 CB ASN A 26 5.971 2.538 6.125 1.00 0.00 C ATOM 418 CG ASN A 26 6.781 1.602 6.998 1.00 0.00 C ATOM 419 OD1 ASN A 26 7.505 0.742 6.509 1.00 0.00 O ATOM 420 ND2 ASN A 26 6.662 1.763 8.298 1.00 0.00 N ATOM 0 H ASN A 26 4.634 3.765 4.443 1.00 0.00 H new ATOM 0 HA ASN A 26 6.406 1.645 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.565 3.424 5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.093 2.874 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.182 1.161 8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.049 2.490 8.668 1.00 0.00 H new ATOM 427 N GLU A 27 3.591 0.696 5.722 1.00 0.00 N ATOM 428 CA GLU A 27 2.758 -0.463 6.027 1.00 0.00 C ATOM 429 C GLU A 27 2.127 -1.004 4.742 1.00 0.00 C ATOM 430 O GLU A 27 2.034 -2.209 4.534 1.00 0.00 O ATOM 431 CB GLU A 27 1.664 -0.078 7.025 1.00 0.00 C ATOM 432 CG GLU A 27 0.801 -1.246 7.470 1.00 0.00 C ATOM 433 CD GLU A 27 1.554 -2.223 8.348 1.00 0.00 C ATOM 434 OE1 GLU A 27 1.657 -1.971 9.565 1.00 0.00 O ATOM 435 OE2 GLU A 27 2.042 -3.244 7.826 1.00 0.00 O ATOM 0 H GLU A 27 3.202 1.587 6.029 1.00 0.00 H new ATOM 0 HA GLU A 27 3.382 -1.239 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.128 0.374 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.026 0.682 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.065 -0.867 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.423 -1.769 6.592 1.00 0.00 H new ATOM 442 N LEU A 28 1.716 -0.084 3.882 1.00 0.00 N ATOM 443 CA LEU A 28 1.099 -0.411 2.600 1.00 0.00 C ATOM 444 C LEU A 28 2.005 -1.320 1.752 1.00 0.00 C ATOM 445 O LEU A 28 1.548 -2.300 1.161 1.00 0.00 O ATOM 446 CB LEU A 28 0.784 0.888 1.849 1.00 0.00 C ATOM 447 CG LEU A 28 -0.696 1.268 1.799 1.00 0.00 C ATOM 448 CD1 LEU A 28 -0.881 2.592 1.075 1.00 0.00 C ATOM 449 CD2 LEU A 28 -1.510 0.171 1.128 1.00 0.00 C ATOM 0 H LEU A 28 1.801 0.918 4.053 1.00 0.00 H new ATOM 0 HA LEU A 28 0.176 -0.961 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.336 1.703 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.154 0.798 0.828 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.056 1.382 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.940 2.847 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.332 3.374 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.503 2.506 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.560 0.461 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.150 0.022 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.403 -0.757 1.690 1.00 0.00 H new ATOM 461 N GLU A 29 3.289 -0.996 1.708 1.00 0.00 N ATOM 462 CA GLU A 29 4.262 -1.785 0.962 1.00 0.00 C ATOM 463 C GLU A 29 4.457 -3.152 1.621 1.00 0.00 C ATOM 464 O GLU A 29 4.573 -4.170 0.936 1.00 0.00 O ATOM 465 CB GLU A 29 5.596 -1.041 0.877 1.00 0.00 C ATOM 466 CG GLU A 29 6.508 -1.537 -0.232 1.00 0.00 C ATOM 467 CD GLU A 29 7.760 -0.697 -0.364 1.00 0.00 C ATOM 468 OE1 GLU A 29 8.708 -0.917 0.414 1.00 0.00 O ATOM 469 OE2 GLU A 29 7.800 0.194 -1.239 1.00 0.00 O ATOM 0 H GLU A 29 3.685 -0.185 2.184 1.00 0.00 H new ATOM 0 HA GLU A 29 3.884 -1.938 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.400 0.020 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.115 -1.136 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.787 -2.572 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.965 -1.528 -1.177 1.00 0.00 H new ATOM 476 N ALA A 30 4.472 -3.176 2.957 1.00 0.00 N ATOM 477 CA ALA A 30 4.625 -4.428 3.692 1.00 0.00 C ATOM 478 C ALA A 30 3.408 -5.324 3.459 1.00 0.00 C ATOM 479 O ALA A 30 3.523 -6.546 3.359 1.00 0.00 O ATOM 480 CB ALA A 30 4.814 -4.157 5.176 1.00 0.00 C ATOM 0 H ALA A 30 4.381 -2.348 3.545 1.00 0.00 H new ATOM 0 HA ALA A 30 5.513 -4.943 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.926 -5.102 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.707 -3.549 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.945 -3.625 5.562 1.00 0.00 H new ATOM 486 N LEU A 31 2.237 -4.697 3.370 1.00 0.00 N ATOM 487 CA LEU A 31 0.997 -5.420 3.117 1.00 0.00 C ATOM 488 C LEU A 31 1.016 -6.056 1.725 1.00 0.00 C ATOM 489 O LEU A 31 0.581 -7.193 1.542 1.00 0.00 O ATOM 490 CB LEU A 31 -0.209 -4.487 3.242 1.00 0.00 C ATOM 491 CG LEU A 31 -0.488 -3.969 4.650 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.514 -2.850 4.610 1.00 0.00 C ATOM 493 CD2 LEU A 31 -0.961 -5.101 5.549 1.00 0.00 C ATOM 0 H LEU A 31 2.123 -3.688 3.470 1.00 0.00 H new ATOM 0 HA LEU A 31 0.911 -6.209 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.057 -3.633 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.094 -5.013 2.884 1.00 0.00 H new ATOM 0 HG LEU A 31 0.438 -3.569 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.702 -2.492 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.135 -2.030 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.443 -3.223 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.155 -4.714 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.876 -5.531 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.191 -5.870 5.601 1.00 0.00 H new ATOM 505 N ALA A 32 1.525 -5.310 0.747 1.00 0.00 N ATOM 506 CA ALA A 32 1.627 -5.802 -0.625 1.00 0.00 C ATOM 507 C ALA A 32 2.505 -7.053 -0.692 1.00 0.00 C ATOM 508 O ALA A 32 2.161 -8.031 -1.356 1.00 0.00 O ATOM 509 CB ALA A 32 2.183 -4.716 -1.533 1.00 0.00 C ATOM 0 H ALA A 32 1.874 -4.361 0.880 1.00 0.00 H new ATOM 0 HA ALA A 32 0.628 -6.070 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.254 -5.095 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.521 -3.851 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.173 -4.423 -1.185 1.00 0.00 H new ATOM 515 N VAL A 33 3.639 -7.016 0.008 1.00 0.00 N ATOM 516 CA VAL A 33 4.556 -8.159 0.051 1.00 0.00 C ATOM 517 C VAL A 33 3.879 -9.362 0.721 1.00 0.00 C ATOM 518 O VAL A 33 4.002 -10.497 0.262 1.00 0.00 O ATOM 519 CB VAL A 33 5.854 -7.815 0.817 1.00 0.00 C ATOM 520 CG1 VAL A 33 6.823 -8.988 0.795 1.00 0.00 C ATOM 521 CG2 VAL A 33 6.513 -6.574 0.237 1.00 0.00 C ATOM 0 H VAL A 33 3.946 -6.210 0.552 1.00 0.00 H new ATOM 0 HA VAL A 33 4.815 -8.408 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 33 5.586 -7.609 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.729 -8.722 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.357 -9.854 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.078 -9.230 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.424 -6.352 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.760 -6.749 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.828 -5.730 0.312 1.00 0.00 H new ATOM 531 N ARG A 34 3.153 -9.094 1.804 1.00 0.00 N ATOM 532 CA ARG A 34 2.430 -10.135 2.540 1.00 0.00 C ATOM 533 C ARG A 34 1.359 -10.804 1.668 1.00 0.00 C ATOM 534 O ARG A 34 1.170 -12.018 1.720 1.00 0.00 O ATOM 535 CB ARG A 34 1.770 -9.535 3.782 1.00 0.00 C ATOM 536 CG ARG A 34 2.707 -9.394 4.969 1.00 0.00 C ATOM 537 CD ARG A 34 2.075 -8.560 6.071 1.00 0.00 C ATOM 538 NE ARG A 34 2.618 -8.881 7.387 1.00 0.00 N ATOM 539 CZ ARG A 34 3.615 -8.249 7.941 1.00 0.00 C ATOM 540 NH1 ARG A 34 4.224 -7.294 7.307 1.00 0.00 N ATOM 541 NH2 ARG A 34 4.005 -8.575 9.131 1.00 0.00 N ATOM 0 H ARG A 34 3.048 -8.158 2.196 1.00 0.00 H new ATOM 0 HA ARG A 34 3.155 -10.894 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.369 -8.554 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.925 -10.160 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.960 -10.381 5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.639 -8.930 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.236 -7.503 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.997 -8.723 6.075 1.00 0.00 H new ATOM 0 HE ARG A 34 2.191 -9.648 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.924 -7.033 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.003 -6.805 7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.533 -9.326 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.785 -8.081 9.565 1.00 0.00 H new ATOM 555 N LEU A 35 0.647 -10.003 0.881 1.00 0.00 N ATOM 556 CA LEU A 35 -0.395 -10.525 -0.003 1.00 0.00 C ATOM 557 C LEU A 35 0.191 -11.321 -1.171 1.00 0.00 C ATOM 558 O LEU A 35 -0.201 -12.465 -1.409 1.00 0.00 O ATOM 559 CB LEU A 35 -1.265 -9.388 -0.533 1.00 0.00 C ATOM 560 CG LEU A 35 -2.128 -8.708 0.521 1.00 0.00 C ATOM 561 CD1 LEU A 35 -2.855 -7.515 -0.073 1.00 0.00 C ATOM 562 CD2 LEU A 35 -3.109 -9.710 1.107 1.00 0.00 C ATOM 0 H LEU A 35 0.771 -8.992 0.836 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.009 -11.204 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.621 -8.640 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.913 -9.779 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.488 -8.340 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.467 -7.042 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.127 -6.797 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.494 -7.848 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.724 -9.219 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.748 -10.100 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.559 -10.531 1.567 1.00 0.00 H new ATOM 574 N GLY A 36 1.119 -10.716 -1.902 1.00 0.00 N ATOM 575 CA GLY A 36 1.728 -11.405 -3.026 1.00 0.00 C ATOM 576 C GLY A 36 2.321 -10.470 -4.073 1.00 0.00 C ATOM 577 O GLY A 36 2.099 -9.258 -4.048 1.00 0.00 O ATOM 0 H GLY A 36 1.459 -9.768 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.513 -12.064 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.979 -12.039 -3.501 1.00 0.00 H new ATOM 581 N LYS A 37 3.075 -11.052 -5.003 1.00 0.00 N ATOM 582 CA LYS A 37 3.722 -10.302 -6.088 1.00 0.00 C ATOM 583 C LYS A 37 2.721 -9.467 -6.907 1.00 0.00 C ATOM 584 O LYS A 37 3.071 -8.412 -7.438 1.00 0.00 O ATOM 585 CB LYS A 37 4.464 -11.273 -7.009 1.00 0.00 C ATOM 586 CG LYS A 37 3.589 -12.399 -7.539 1.00 0.00 C ATOM 587 CD LYS A 37 4.384 -13.384 -8.379 1.00 0.00 C ATOM 588 CE LYS A 37 5.244 -14.294 -7.518 1.00 0.00 C ATOM 589 NZ LYS A 37 5.959 -15.312 -8.332 1.00 0.00 N ATOM 0 H LYS A 37 3.257 -12.055 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 37 4.423 -9.604 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.877 -10.718 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.306 -11.703 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.127 -12.924 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.781 -11.980 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.700 -13.988 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.018 -12.838 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.969 -13.695 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.617 -14.794 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.535 -15.913 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.267 -15.901 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.576 -14.835 -9.020 1.00 0.00 H new ATOM 603 N SER A 38 1.482 -9.938 -7.003 1.00 0.00 N ATOM 604 CA SER A 38 0.436 -9.233 -7.753 1.00 0.00 C ATOM 605 C SER A 38 0.123 -7.868 -7.134 1.00 0.00 C ATOM 606 O SER A 38 0.146 -6.842 -7.815 1.00 0.00 O ATOM 607 CB SER A 38 -0.838 -10.078 -7.798 1.00 0.00 C ATOM 608 OG SER A 38 -1.160 -10.584 -6.510 1.00 0.00 O ATOM 0 H SER A 38 1.172 -10.808 -6.571 1.00 0.00 H new ATOM 0 HA SER A 38 0.807 -9.071 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.665 -9.475 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.705 -10.906 -8.495 1.00 0.00 H new ATOM 0 HG SER A 38 -1.670 -9.911 -6.012 1.00 0.00 H new ATOM 614 N TYR A 39 -0.151 -7.856 -5.834 1.00 0.00 N ATOM 615 CA TYR A 39 -0.461 -6.618 -5.125 1.00 0.00 C ATOM 616 C TYR A 39 0.761 -5.702 -5.037 1.00 0.00 C ATOM 617 O TYR A 39 0.632 -4.492 -4.845 1.00 0.00 O ATOM 618 CB TYR A 39 -1.017 -6.928 -3.739 1.00 0.00 C ATOM 619 CG TYR A 39 -2.469 -7.340 -3.785 1.00 0.00 C ATOM 620 CD1 TYR A 39 -2.828 -8.657 -4.036 1.00 0.00 C ATOM 621 CD2 TYR A 39 -3.481 -6.407 -3.606 1.00 0.00 C ATOM 622 CE1 TYR A 39 -4.153 -9.032 -4.108 1.00 0.00 C ATOM 623 CE2 TYR A 39 -4.811 -6.776 -3.671 1.00 0.00 C ATOM 624 CZ TYR A 39 -5.140 -8.089 -3.924 1.00 0.00 C ATOM 625 OH TYR A 39 -6.464 -8.461 -4.002 1.00 0.00 O ATOM 0 H TYR A 39 -0.165 -8.691 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.224 -6.084 -5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.429 -7.725 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.910 -6.050 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.057 -9.400 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.225 -5.376 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.416 -10.060 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.587 -6.040 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.033 -7.678 -3.847 1.00 0.00 H new ATOM 635 N ARG A 40 1.950 -6.280 -5.184 1.00 0.00 N ATOM 636 CA ARG A 40 3.183 -5.496 -5.166 1.00 0.00 C ATOM 637 C ARG A 40 3.202 -4.526 -6.351 1.00 0.00 C ATOM 638 O ARG A 40 3.702 -3.405 -6.242 1.00 0.00 O ATOM 639 CB ARG A 40 4.408 -6.411 -5.206 1.00 0.00 C ATOM 640 CG ARG A 40 4.887 -6.833 -3.828 1.00 0.00 C ATOM 641 CD ARG A 40 5.397 -5.642 -3.029 1.00 0.00 C ATOM 642 NE ARG A 40 6.787 -5.323 -3.338 1.00 0.00 N ATOM 643 CZ ARG A 40 7.178 -4.226 -3.927 1.00 0.00 C ATOM 644 NH1 ARG A 40 6.313 -3.348 -4.333 1.00 0.00 N ATOM 645 NH2 ARG A 40 8.439 -4.013 -4.124 1.00 0.00 N ATOM 0 H ARG A 40 2.087 -7.282 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 40 3.218 -4.924 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.169 -7.301 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.219 -5.899 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.070 -7.312 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.681 -7.573 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.772 -4.773 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.303 -5.855 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 40 7.501 -6.003 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.316 -3.512 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.630 -2.494 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.126 -4.702 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.746 -3.156 -4.584 1.00 0.00 H new ATOM 659 N ILE A 41 2.635 -4.963 -7.476 1.00 0.00 N ATOM 660 CA ILE A 41 2.552 -4.130 -8.674 1.00 0.00 C ATOM 661 C ILE A 41 1.556 -2.985 -8.451 1.00 0.00 C ATOM 662 O ILE A 41 1.775 -1.857 -8.896 1.00 0.00 O ATOM 663 CB ILE A 41 2.124 -4.953 -9.909 1.00 0.00 C ATOM 664 CG1 ILE A 41 2.928 -6.252 -9.989 1.00 0.00 C ATOM 665 CG2 ILE A 41 2.308 -4.136 -11.182 1.00 0.00 C ATOM 666 CD1 ILE A 41 2.418 -7.221 -11.034 1.00 0.00 C ATOM 0 H ILE A 41 2.226 -5.891 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 41 3.545 -3.723 -8.863 1.00 0.00 H new ATOM 0 HB ILE A 41 1.068 -5.204 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.969 -6.012 -10.206 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.910 -6.740 -9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.002 -4.730 -12.043 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.697 -3.235 -11.127 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.357 -3.858 -11.287 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.038 -8.118 -11.032 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.387 -7.492 -10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.462 -6.752 -12.017 1.00 0.00 H new ATOM 678 N GLN A 42 0.459 -3.286 -7.757 1.00 0.00 N ATOM 679 CA GLN A 42 -0.555 -2.277 -7.440 1.00 0.00 C ATOM 680 C GLN A 42 0.047 -1.207 -6.523 1.00 0.00 C ATOM 681 O GLN A 42 -0.190 -0.009 -6.694 1.00 0.00 O ATOM 682 CB GLN A 42 -1.762 -2.921 -6.756 1.00 0.00 C ATOM 683 CG GLN A 42 -2.378 -4.065 -7.544 1.00 0.00 C ATOM 684 CD GLN A 42 -3.558 -4.699 -6.830 1.00 0.00 C ATOM 685 OE1 GLN A 42 -4.317 -3.902 -6.104 1.00 0.00 O flip ATOM 686 NE2 GLN A 42 -3.790 -5.898 -6.934 1.00 0.00 N flip ATOM 0 H GLN A 42 0.248 -4.219 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.887 -1.816 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.458 -3.290 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.522 -2.158 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.702 -3.697 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.618 -4.825 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.183 -6.487 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.590 -6.306 -6.451 1.00 0.00 H new ATOM 695 N LEU A 43 0.831 -1.657 -5.547 1.00 0.00 N ATOM 696 CA LEU A 43 1.505 -0.754 -4.618 1.00 0.00 C ATOM 697 C LEU A 43 2.476 0.153 -5.387 1.00 0.00 C ATOM 698 O LEU A 43 2.478 1.367 -5.209 1.00 0.00 O ATOM 699 CB LEU A 43 2.249 -1.569 -3.552 1.00 0.00 C ATOM 700 CG LEU A 43 2.646 -0.812 -2.277 1.00 0.00 C ATOM 701 CD1 LEU A 43 3.979 -0.107 -2.463 1.00 0.00 C ATOM 702 CD2 LEU A 43 1.564 0.182 -1.877 1.00 0.00 C ATOM 0 H LEU A 43 1.016 -2.646 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 43 0.767 -0.125 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.623 -2.415 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.153 -1.979 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 43 2.753 -1.539 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.241 0.423 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.751 -0.842 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.903 0.605 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.868 0.706 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.417 0.903 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.631 -0.351 -1.692 1.00 0.00 H new ATOM 714 N ASP A 44 3.289 -0.455 -6.251 1.00 0.00 N ATOM 715 CA ASP A 44 4.250 0.278 -7.078 1.00 0.00 C ATOM 716 C ASP A 44 3.542 1.341 -7.933 1.00 0.00 C ATOM 717 O ASP A 44 4.053 2.446 -8.124 1.00 0.00 O ATOM 718 CB ASP A 44 5.009 -0.700 -7.971 1.00 0.00 C ATOM 719 CG ASP A 44 6.224 -0.072 -8.615 1.00 0.00 C ATOM 720 OD1 ASP A 44 7.143 0.340 -7.880 1.00 0.00 O ATOM 721 OD2 ASP A 44 6.269 0.004 -9.859 1.00 0.00 O ATOM 0 H ASP A 44 3.301 -1.464 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 44 4.955 0.789 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.320 -1.561 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.341 -1.071 -8.748 1.00 0.00 H new ATOM 726 N GLN A 45 2.365 0.990 -8.447 1.00 0.00 N ATOM 727 CA GLN A 45 1.559 1.913 -9.248 1.00 0.00 C ATOM 728 C GLN A 45 1.193 3.155 -8.428 1.00 0.00 C ATOM 729 O GLN A 45 1.258 4.279 -8.918 1.00 0.00 O ATOM 730 CB GLN A 45 0.288 1.211 -9.723 1.00 0.00 C ATOM 731 CG GLN A 45 -0.640 2.091 -10.546 1.00 0.00 C ATOM 732 CD GLN A 45 -2.007 1.463 -10.741 1.00 0.00 C ATOM 733 OE1 GLN A 45 -2.051 0.148 -10.833 1.00 0.00 O flip ATOM 734 NE2 GLN A 45 -3.016 2.155 -10.819 1.00 0.00 N flip ATOM 0 H GLN A 45 1.945 0.069 -8.323 1.00 0.00 H new ATOM 0 HA GLN A 45 2.143 2.227 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.567 0.341 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.256 0.842 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.753 3.056 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.188 2.281 -11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.946 3.170 -10.744 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.926 1.716 -10.959 1.00 0.00 H new ATOM 743 N ALA A 46 0.820 2.939 -7.171 1.00 0.00 N ATOM 744 CA ALA A 46 0.462 4.036 -6.276 1.00 0.00 C ATOM 745 C ALA A 46 1.663 4.961 -6.025 1.00 0.00 C ATOM 746 O ALA A 46 1.505 6.170 -5.864 1.00 0.00 O ATOM 747 CB ALA A 46 -0.078 3.489 -4.964 1.00 0.00 C ATOM 0 H ALA A 46 0.757 2.013 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.318 4.627 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.341 4.317 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.964 2.885 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.683 2.873 -4.486 1.00 0.00 H new ATOM 753 N LYS A 47 2.863 4.388 -5.994 1.00 0.00 N ATOM 754 CA LYS A 47 4.079 5.178 -5.780 1.00 0.00 C ATOM 755 C LYS A 47 4.388 6.059 -6.999 1.00 0.00 C ATOM 756 O LYS A 47 4.731 7.232 -6.861 1.00 0.00 O ATOM 757 CB LYS A 47 5.294 4.281 -5.491 1.00 0.00 C ATOM 758 CG LYS A 47 4.958 2.918 -4.903 1.00 0.00 C ATOM 759 CD LYS A 47 6.206 2.180 -4.439 1.00 0.00 C ATOM 760 CE LYS A 47 6.930 2.933 -3.334 1.00 0.00 C ATOM 761 NZ LYS A 47 8.194 2.260 -2.934 1.00 0.00 N ATOM 0 H LYS A 47 3.023 3.388 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 47 3.892 5.811 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.848 4.134 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.958 4.804 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.276 3.043 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.437 2.318 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.930 1.188 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.880 2.038 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.150 3.946 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.276 3.020 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.826 2.950 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.982 1.492 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.660 1.867 -3.777 1.00 0.00 H new ATOM 775 N GLU A 48 4.242 5.495 -8.196 1.00 0.00 N ATOM 776 CA GLU A 48 4.534 6.231 -9.424 1.00 0.00 C ATOM 777 C GLU A 48 3.412 7.212 -9.794 1.00 0.00 C ATOM 778 O GLU A 48 3.668 8.244 -10.415 1.00 0.00 O ATOM 779 CB GLU A 48 4.808 5.266 -10.587 1.00 0.00 C ATOM 780 CG GLU A 48 3.626 4.389 -10.971 1.00 0.00 C ATOM 781 CD GLU A 48 3.833 3.682 -12.294 1.00 0.00 C ATOM 782 OE1 GLU A 48 3.837 4.366 -13.341 1.00 0.00 O ATOM 783 OE2 GLU A 48 3.989 2.441 -12.297 1.00 0.00 O ATOM 0 H GLU A 48 3.925 4.536 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 48 5.432 6.820 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.113 5.845 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.648 4.625 -10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.459 3.648 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.726 5.002 -11.027 1.00 0.00 H new ATOM 790 N LYS A 49 2.174 6.905 -9.402 1.00 0.00 N ATOM 791 CA LYS A 49 1.044 7.782 -9.702 1.00 0.00 C ATOM 792 C LYS A 49 1.171 9.127 -8.969 1.00 0.00 C ATOM 793 O LYS A 49 0.646 10.146 -9.418 1.00 0.00 O ATOM 794 CB LYS A 49 -0.281 7.092 -9.344 1.00 0.00 C ATOM 795 CG LYS A 49 -0.633 7.125 -7.864 1.00 0.00 C ATOM 796 CD LYS A 49 -1.749 8.116 -7.574 1.00 0.00 C ATOM 797 CE LYS A 49 -3.088 7.614 -8.088 1.00 0.00 C ATOM 798 NZ LYS A 49 -4.125 8.677 -8.067 1.00 0.00 N ATOM 0 H LYS A 49 1.931 6.063 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 49 1.052 7.986 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.086 7.566 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.234 6.053 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.937 6.130 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.251 7.393 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.813 8.290 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.516 9.074 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.970 7.243 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.418 6.773 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.023 8.293 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.257 9.014 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.822 9.469 -8.669 1.00 0.00 H new ATOM 812 N TRP A 50 1.876 9.121 -7.843 1.00 0.00 N ATOM 813 CA TRP A 50 2.083 10.335 -7.055 1.00 0.00 C ATOM 814 C TRP A 50 3.331 11.096 -7.513 1.00 0.00 C ATOM 815 O TRP A 50 3.647 12.163 -6.981 1.00 0.00 O ATOM 816 CB TRP A 50 2.205 9.983 -5.574 1.00 0.00 C ATOM 817 CG TRP A 50 0.895 9.966 -4.864 1.00 0.00 C ATOM 818 CD1 TRP A 50 0.259 8.878 -4.353 1.00 0.00 C ATOM 819 CD2 TRP A 50 0.061 11.094 -4.585 1.00 0.00 C ATOM 820 NE1 TRP A 50 -0.918 9.259 -3.767 1.00 0.00 N ATOM 821 CE2 TRP A 50 -1.065 10.614 -3.899 1.00 0.00 C ATOM 822 CE3 TRP A 50 0.159 12.463 -4.848 1.00 0.00 C ATOM 823 CZ2 TRP A 50 -2.089 11.453 -3.470 1.00 0.00 C ATOM 824 CZ3 TRP A 50 -0.858 13.295 -4.424 1.00 0.00 C ATOM 825 CH2 TRP A 50 -1.969 12.788 -3.741 1.00 0.00 C ATOM 0 H TRP A 50 2.316 8.287 -7.453 1.00 0.00 H new ATOM 0 HA TRP A 50 1.219 10.982 -7.206 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.676 9.005 -5.477 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.864 10.703 -5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.628 7.864 -4.402 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.579 8.634 -3.306 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.014 12.863 -5.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -2.947 11.064 -2.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.795 14.355 -4.623 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -2.748 13.465 -3.421 1.00 0.00 H new ATOM 836 N LYS A 51 4.027 10.540 -8.508 1.00 0.00 N ATOM 837 CA LYS A 51 5.249 11.143 -9.056 1.00 0.00 C ATOM 838 C LYS A 51 6.366 11.224 -8.007 1.00 0.00 C ATOM 839 O LYS A 51 7.087 12.219 -7.922 1.00 0.00 O ATOM 840 CB LYS A 51 4.956 12.534 -9.628 1.00 0.00 C ATOM 841 CG LYS A 51 4.043 12.522 -10.844 1.00 0.00 C ATOM 842 CD LYS A 51 4.819 12.261 -12.126 1.00 0.00 C ATOM 843 CE LYS A 51 4.886 10.780 -12.460 1.00 0.00 C ATOM 844 NZ LYS A 51 5.758 10.519 -13.634 1.00 0.00 N ATOM 0 H LYS A 51 3.762 9.663 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 51 5.597 10.495 -9.861 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.501 13.147 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.898 13.010 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.279 11.755 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.525 13.478 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.349 12.797 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.830 12.656 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.262 10.229 -11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.882 10.407 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.779 9.498 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.385 11.024 -14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.722 10.852 -13.431 1.00 0.00 H new ATOM 858 N VAL A 52 6.513 10.165 -7.218 1.00 0.00 N ATOM 859 CA VAL A 52 7.546 10.117 -6.185 1.00 0.00 C ATOM 860 C VAL A 52 8.947 9.993 -6.810 1.00 0.00 C ATOM 861 O VAL A 52 9.096 9.502 -7.933 1.00 0.00 O ATOM 862 CB VAL A 52 7.298 8.939 -5.206 1.00 0.00 C ATOM 863 CG1 VAL A 52 7.731 7.611 -5.815 1.00 0.00 C ATOM 864 CG2 VAL A 52 8.001 9.177 -3.878 1.00 0.00 C ATOM 0 H VAL A 52 5.932 9.329 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 52 7.495 11.052 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 52 6.225 8.887 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.544 6.806 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.164 7.427 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.795 7.648 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.811 8.337 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.074 9.272 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.622 10.093 -3.425 1.00 0.00 H new ATOM 874 N LYS A 53 9.960 10.474 -6.102 1.00 0.00 N ATOM 875 CA LYS A 53 11.342 10.397 -6.585 1.00 0.00 C ATOM 876 C LYS A 53 12.093 9.215 -5.962 1.00 0.00 C ATOM 877 O LYS A 53 12.282 8.192 -6.655 1.00 0.00 O ATOM 878 CB LYS A 53 12.087 11.700 -6.287 1.00 0.00 C ATOM 879 CG LYS A 53 11.801 12.807 -7.285 1.00 0.00 C ATOM 880 CD LYS A 53 12.226 12.412 -8.690 1.00 0.00 C ATOM 881 CE LYS A 53 11.973 13.531 -9.686 1.00 0.00 C ATOM 882 NZ LYS A 53 10.552 13.965 -9.687 1.00 0.00 N ATOM 883 OXT LYS A 53 12.494 9.313 -4.780 1.00 0.00 O ATOM 0 H LYS A 53 9.856 10.922 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 53 11.302 10.243 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.816 12.043 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.159 11.501 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.736 13.039 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.327 13.713 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.285 12.155 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.681 11.520 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.611 14.381 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.250 13.196 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.372 14.563 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.934 13.129 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.354 14.507 -8.822 1.00 0.00 H new TER 897 LYS A 53