USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 534 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 61 ASN : amide:sc= 0.0458 X(o=0.045,f=-0.099) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -178:sc=-0.000424 (180deg=-0.0345) USER MOD Set 2.1: A 43 THR OG1 : rot 127:sc= 0.687 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= -0.123 USER MOD Set 3.1: A 31 ASN :FLIP amide:sc= 0 X(o=-0.52,f=-0.41) USER MOD Set 3.2: A 35 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.52) USER MOD Set 4.1: A 17 THR OG1 : rot -28:sc= 0.518 USER MOD Set 4.2: A 27 GLN :FLIP amide:sc= 0.408 F(o=-0.6,f=0.93) USER MOD Single : A 1 MET CE :methyl 123:sc= -0.221 (180deg=-0.82) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.297) USER MOD Single : A 3 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 150:sc= -0.53 USER MOD Single : A 12 MET CE :methyl 151:sc= -0.139 (180deg=-0.84) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.11) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -1.07 (180deg=-2.86!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.491 15.453 -2.987 1.00 0.00 N ATOM 2 CA MET A 1 0.078 14.301 -2.143 1.00 0.00 C ATOM 3 C MET A 1 1.181 13.251 -2.065 1.00 0.00 C ATOM 4 O MET A 1 1.869 12.985 -3.051 1.00 0.00 O ATOM 5 CB MET A 1 -1.192 13.691 -2.738 1.00 0.00 C ATOM 6 CG MET A 1 -2.286 14.709 -3.010 1.00 0.00 C ATOM 7 SD MET A 1 -3.939 13.989 -2.940 1.00 0.00 S ATOM 8 CE MET A 1 -4.047 13.556 -1.205 1.00 0.00 C ATOM 0 H1 MET A 1 -0.133 16.263 -2.798 1.00 0.00 H new ATOM 0 H2 MET A 1 1.473 15.713 -2.764 1.00 0.00 H new ATOM 0 H3 MET A 1 0.422 15.190 -3.991 1.00 0.00 H new ATOM 0 HA MET A 1 -0.113 14.651 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.940 13.184 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.575 12.932 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.215 15.517 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.128 15.152 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.915 14.043 -0.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.147 12.475 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.144 13.886 -0.691 1.00 0.00 H new ATOM 20 N GLU A 2 1.344 12.657 -0.888 1.00 0.00 N ATOM 21 CA GLU A 2 2.364 11.636 -0.681 1.00 0.00 C ATOM 22 C GLU A 2 1.980 10.704 0.464 1.00 0.00 C ATOM 23 O GLU A 2 2.732 10.540 1.426 1.00 0.00 O ATOM 24 CB GLU A 2 3.718 12.289 -0.394 1.00 0.00 C ATOM 25 CG GLU A 2 4.898 11.525 -0.973 1.00 0.00 C ATOM 26 CD GLU A 2 5.438 12.159 -2.239 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.870 13.329 -2.179 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.431 11.485 -3.290 1.00 0.00 O ATOM 0 H GLU A 2 0.782 12.865 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 2 2.440 11.045 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.717 13.301 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.848 12.378 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.693 11.474 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.594 10.500 -1.186 1.00 0.00 H new ATOM 35 N GLN A 3 0.804 10.095 0.354 1.00 0.00 N ATOM 36 CA GLN A 3 0.321 9.177 1.379 1.00 0.00 C ATOM 37 C GLN A 3 0.608 7.730 0.989 1.00 0.00 C ATOM 38 O GLN A 3 -0.209 6.838 1.217 1.00 0.00 O ATOM 39 CB GLN A 3 -1.180 9.379 1.603 1.00 0.00 C ATOM 40 CG GLN A 3 -1.505 10.196 2.844 1.00 0.00 C ATOM 41 CD GLN A 3 -1.300 9.415 4.128 1.00 0.00 C ATOM 42 OE1 GLN A 3 -0.169 9.178 4.549 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.399 9.011 4.755 1.00 0.00 N ATOM 0 H GLN A 3 0.168 10.220 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 3 0.849 9.391 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.606 9.874 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.661 8.404 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.878 11.088 2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.540 10.535 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.317 9.231 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.325 8.481 5.623 1.00 0.00 H new ATOM 52 N ARG A 4 1.778 7.506 0.399 1.00 0.00 N ATOM 53 CA ARG A 4 2.181 6.170 -0.026 1.00 0.00 C ATOM 54 C ARG A 4 2.706 5.361 1.150 1.00 0.00 C ATOM 55 O ARG A 4 3.820 5.579 1.627 1.00 0.00 O ATOM 56 CB ARG A 4 3.248 6.256 -1.119 1.00 0.00 C ATOM 57 CG ARG A 4 4.405 7.180 -0.768 1.00 0.00 C ATOM 58 CD ARG A 4 5.727 6.645 -1.293 1.00 0.00 C ATOM 59 NE ARG A 4 6.544 6.064 -0.230 1.00 0.00 N ATOM 60 CZ ARG A 4 7.712 5.461 -0.438 1.00 0.00 C ATOM 61 NH1 ARG A 4 8.204 5.358 -1.666 1.00 0.00 N ATOM 62 NH2 ARG A 4 8.391 4.961 0.586 1.00 0.00 N ATOM 0 H ARG A 4 2.465 8.234 0.204 1.00 0.00 H new ATOM 0 HA ARG A 4 1.302 5.665 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.638 5.257 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.784 6.603 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.221 8.170 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.463 7.297 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.535 5.891 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.279 7.452 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 4 6.199 6.124 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.687 5.742 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.100 4.895 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.018 5.039 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.286 4.499 0.427 1.00 0.00 H new ATOM 76 N ILE A 5 1.890 4.422 1.608 1.00 0.00 N ATOM 77 CA ILE A 5 2.256 3.567 2.725 1.00 0.00 C ATOM 78 C ILE A 5 2.666 2.190 2.226 1.00 0.00 C ATOM 79 O ILE A 5 2.759 1.957 1.022 1.00 0.00 O ATOM 80 CB ILE A 5 1.092 3.408 3.727 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.139 4.595 3.636 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.621 3.259 5.148 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.040 4.501 4.581 1.00 0.00 C ATOM 0 H ILE A 5 0.966 4.234 1.220 1.00 0.00 H new ATOM 0 HA ILE A 5 3.093 4.045 3.234 1.00 0.00 H new ATOM 0 HB ILE A 5 0.542 2.503 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.691 5.510 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.231 4.675 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.784 3.148 5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.260 2.378 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.198 4.144 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.674 5.379 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.616 3.604 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.680 4.452 5.609 1.00 0.00 H new ATOM 95 N THR A 6 2.904 1.282 3.157 1.00 0.00 N ATOM 96 CA THR A 6 3.299 -0.080 2.817 1.00 0.00 C ATOM 97 C THR A 6 2.079 -0.982 2.674 1.00 0.00 C ATOM 98 O THR A 6 1.078 -0.803 3.369 1.00 0.00 O ATOM 99 CB THR A 6 4.248 -0.644 3.879 1.00 0.00 C ATOM 100 OG1 THR A 6 4.355 0.241 4.980 1.00 0.00 O ATOM 101 CG2 THR A 6 5.647 -0.894 3.357 1.00 0.00 C ATOM 0 H THR A 6 2.831 1.461 4.158 1.00 0.00 H new ATOM 0 HA THR A 6 3.819 -0.050 1.859 1.00 0.00 H new ATOM 0 HB THR A 6 3.811 -1.596 4.179 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.964 -0.139 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.269 -1.293 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.607 -1.612 2.538 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.074 0.042 2.998 1.00 0.00 H new ATOM 109 N LEU A 7 2.166 -1.953 1.771 1.00 0.00 N ATOM 110 CA LEU A 7 1.067 -2.884 1.544 1.00 0.00 C ATOM 111 C LEU A 7 0.884 -3.806 2.742 1.00 0.00 C ATOM 112 O LEU A 7 -0.238 -4.164 3.100 1.00 0.00 O ATOM 113 CB LEU A 7 1.321 -3.710 0.280 1.00 0.00 C ATOM 114 CG LEU A 7 0.267 -4.776 -0.020 1.00 0.00 C ATOM 115 CD1 LEU A 7 -1.112 -4.144 -0.138 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.620 -5.528 -1.294 1.00 0.00 C ATOM 0 H LEU A 7 2.985 -2.116 1.185 1.00 0.00 H new ATOM 0 HA LEU A 7 0.153 -2.305 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.383 -3.033 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.292 -4.197 0.372 1.00 0.00 H new ATOM 0 HG LEU A 7 0.250 -5.487 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.850 -4.917 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.367 -3.649 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.109 -3.412 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.140 -6.283 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.664 -4.829 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.589 -6.012 -1.174 1.00 0.00 H new ATOM 128 N LYS A 8 1.996 -4.188 3.362 1.00 0.00 N ATOM 129 CA LYS A 8 1.962 -5.068 4.523 1.00 0.00 C ATOM 130 C LYS A 8 1.288 -4.381 5.706 1.00 0.00 C ATOM 131 O LYS A 8 0.406 -4.952 6.348 1.00 0.00 O ATOM 132 CB LYS A 8 3.381 -5.493 4.907 1.00 0.00 C ATOM 133 CG LYS A 8 3.429 -6.743 5.774 1.00 0.00 C ATOM 134 CD LYS A 8 3.805 -6.413 7.209 1.00 0.00 C ATOM 135 CE LYS A 8 2.577 -6.303 8.096 1.00 0.00 C ATOM 136 NZ LYS A 8 2.898 -6.572 9.526 1.00 0.00 N ATOM 0 H LYS A 8 2.933 -3.901 3.079 1.00 0.00 H new ATOM 0 HA LYS A 8 1.382 -5.953 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.957 -5.669 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.866 -4.674 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.457 -7.237 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.152 -7.446 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.469 -7.185 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.358 -5.474 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.149 -5.305 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.819 -7.008 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.033 -6.487 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.282 -7.534 9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.603 -5.883 9.859 1.00 0.00 H new ATOM 150 N ASP A 9 1.707 -3.152 5.987 1.00 0.00 N ATOM 151 CA ASP A 9 1.142 -2.386 7.094 1.00 0.00 C ATOM 152 C ASP A 9 -0.356 -2.176 6.903 1.00 0.00 C ATOM 153 O ASP A 9 -1.135 -2.316 7.844 1.00 0.00 O ATOM 154 CB ASP A 9 1.845 -1.032 7.215 1.00 0.00 C ATOM 155 CG ASP A 9 3.249 -1.157 7.772 1.00 0.00 C ATOM 156 OD1 ASP A 9 3.929 -2.156 7.452 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.670 -0.257 8.528 1.00 0.00 O ATOM 0 H ASP A 9 2.435 -2.665 5.465 1.00 0.00 H new ATOM 0 HA ASP A 9 1.297 -2.954 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.887 -0.559 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.258 -0.378 7.860 1.00 0.00 H new ATOM 162 N TYR A 10 -0.751 -1.841 5.679 1.00 0.00 N ATOM 163 CA TYR A 10 -2.155 -1.613 5.366 1.00 0.00 C ATOM 164 C TYR A 10 -2.985 -2.864 5.636 1.00 0.00 C ATOM 165 O TYR A 10 -4.150 -2.777 6.027 1.00 0.00 O ATOM 166 CB TYR A 10 -2.312 -1.190 3.905 1.00 0.00 C ATOM 167 CG TYR A 10 -3.686 -0.646 3.575 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.783 -1.493 3.480 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.881 0.710 3.359 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.038 -0.999 3.178 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.134 1.212 3.057 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.208 0.352 2.968 1.00 0.00 C ATOM 173 OH TYR A 10 -7.456 0.847 2.667 1.00 0.00 O ATOM 0 H TYR A 10 -0.118 -1.722 4.888 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.518 -0.812 6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.565 -0.431 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.106 -2.047 3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.653 -2.553 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.041 1.385 3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.882 -1.669 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.270 2.271 2.892 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.535 1.763 3.006 1.00 0.00 H new ATOM 183 N ALA A 11 -2.378 -4.027 5.429 1.00 0.00 N ATOM 184 CA ALA A 11 -3.061 -5.296 5.654 1.00 0.00 C ATOM 185 C ALA A 11 -3.271 -5.550 7.142 1.00 0.00 C ATOM 186 O ALA A 11 -4.386 -5.821 7.584 1.00 0.00 O ATOM 187 CB ALA A 11 -2.273 -6.437 5.027 1.00 0.00 C ATOM 0 H ALA A 11 -1.415 -4.118 5.106 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.041 -5.242 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.794 -7.378 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.180 -6.268 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.280 -6.483 5.475 1.00 0.00 H new ATOM 193 N MET A 12 -2.189 -5.464 7.910 1.00 0.00 N ATOM 194 CA MET A 12 -2.254 -5.687 9.347 1.00 0.00 C ATOM 195 C MET A 12 -2.939 -4.523 10.055 1.00 0.00 C ATOM 196 O MET A 12 -3.500 -4.685 11.140 1.00 0.00 O ATOM 197 CB MET A 12 -0.846 -5.891 9.912 1.00 0.00 C ATOM 198 CG MET A 12 -0.555 -7.327 10.319 1.00 0.00 C ATOM 199 SD MET A 12 -0.151 -7.492 12.069 1.00 0.00 S ATOM 200 CE MET A 12 -1.606 -6.770 12.821 1.00 0.00 C ATOM 0 H MET A 12 -1.257 -5.241 7.559 1.00 0.00 H new ATOM 0 HA MET A 12 -2.845 -6.586 9.523 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.115 -5.579 9.166 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.714 -5.243 10.778 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.422 -7.947 10.091 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.274 -7.708 9.722 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.774 -7.224 13.797 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.459 -5.697 12.941 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.472 -6.949 12.183 1.00 0.00 H new ATOM 210 N ARG A 13 -2.885 -3.350 9.437 1.00 0.00 N ATOM 211 CA ARG A 13 -3.496 -2.154 10.007 1.00 0.00 C ATOM 212 C ARG A 13 -4.946 -2.008 9.558 1.00 0.00 C ATOM 213 O ARG A 13 -5.861 -1.989 10.382 1.00 0.00 O ATOM 214 CB ARG A 13 -2.701 -0.911 9.602 1.00 0.00 C ATOM 215 CG ARG A 13 -3.010 0.309 10.452 1.00 0.00 C ATOM 216 CD ARG A 13 -1.793 1.209 10.598 1.00 0.00 C ATOM 217 NE ARG A 13 -1.701 2.185 9.515 1.00 0.00 N ATOM 218 CZ ARG A 13 -0.605 2.889 9.243 1.00 0.00 C ATOM 219 NH1 ARG A 13 0.493 2.729 9.974 1.00 0.00 N ATOM 220 NH2 ARG A 13 -0.604 3.755 8.239 1.00 0.00 N ATOM 0 H ARG A 13 -2.424 -3.200 8.540 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.482 -2.255 11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.636 -1.132 9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.911 -0.679 8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.827 0.871 10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.349 -0.009 11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.841 1.731 11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.890 0.598 10.613 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.525 2.336 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.498 2.064 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.331 3.271 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.444 3.882 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.237 4.294 8.031 1.00 0.00 H new ATOM 234 N PHE A 14 -5.146 -1.891 8.251 1.00 0.00 N ATOM 235 CA PHE A 14 -6.470 -1.732 7.687 1.00 0.00 C ATOM 236 C PHE A 14 -7.049 -3.068 7.234 1.00 0.00 C ATOM 237 O PHE A 14 -7.885 -3.120 6.332 1.00 0.00 O ATOM 238 CB PHE A 14 -6.388 -0.768 6.514 1.00 0.00 C ATOM 239 CG PHE A 14 -6.130 0.649 6.934 1.00 0.00 C ATOM 240 CD1 PHE A 14 -7.170 1.481 7.304 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.840 1.151 6.965 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.933 2.774 7.694 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.599 2.443 7.355 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.648 3.252 7.717 1.00 0.00 C ATOM 0 H PHE A 14 -4.396 -1.904 7.560 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.135 -1.335 8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.594 -1.091 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.320 -0.810 5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.183 1.107 7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.014 0.517 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.755 3.413 7.982 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.588 2.823 7.377 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.460 4.271 8.022 1.00 0.00 H new ATOM 254 N GLY A 15 -6.599 -4.150 7.864 1.00 0.00 N ATOM 255 CA GLY A 15 -7.085 -5.469 7.507 1.00 0.00 C ATOM 256 C GLY A 15 -6.749 -5.845 6.078 1.00 0.00 C ATOM 257 O GLY A 15 -6.310 -5.003 5.295 1.00 0.00 O ATOM 0 H GLY A 15 -5.908 -4.136 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.654 -6.207 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.166 -5.504 7.644 1.00 0.00 H new ATOM 261 N GLN A 16 -6.955 -7.113 5.737 1.00 0.00 N ATOM 262 CA GLN A 16 -6.669 -7.598 4.391 1.00 0.00 C ATOM 263 C GLN A 16 -7.882 -7.425 3.483 1.00 0.00 C ATOM 264 O GLN A 16 -7.740 -7.209 2.278 1.00 0.00 O ATOM 265 CB GLN A 16 -6.257 -9.070 4.435 1.00 0.00 C ATOM 266 CG GLN A 16 -4.992 -9.325 5.237 1.00 0.00 C ATOM 267 CD GLN A 16 -4.195 -10.504 4.712 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.561 -11.658 4.925 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.098 -10.215 4.022 1.00 0.00 N ATOM 0 H GLN A 16 -7.318 -7.823 6.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.846 -7.009 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.072 -9.654 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.109 -9.428 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.368 -8.432 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.257 -9.506 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.833 -9.242 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.521 -10.966 3.644 1.00 0.00 H new ATOM 278 N THR A 17 -9.072 -7.522 4.065 1.00 0.00 N ATOM 279 CA THR A 17 -10.310 -7.376 3.307 1.00 0.00 C ATOM 280 C THR A 17 -10.450 -5.953 2.780 1.00 0.00 C ATOM 281 O THR A 17 -10.780 -5.742 1.612 1.00 0.00 O ATOM 282 CB THR A 17 -11.510 -7.739 4.181 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.400 -9.064 4.663 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.830 -7.626 3.455 1.00 0.00 C ATOM 0 H THR A 17 -9.206 -7.701 5.060 1.00 0.00 H new ATOM 0 HA THR A 17 -10.277 -8.056 2.456 1.00 0.00 H new ATOM 0 HB THR A 17 -11.498 -7.020 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.882 -9.601 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.641 -7.897 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.970 -6.601 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.832 -8.298 2.597 1.00 0.00 H new ATOM 292 N LYS A 18 -10.210 -4.976 3.649 1.00 0.00 N ATOM 293 CA LYS A 18 -10.320 -3.572 3.272 1.00 0.00 C ATOM 294 C LYS A 18 -9.360 -3.236 2.139 1.00 0.00 C ATOM 295 O LYS A 18 -9.689 -2.463 1.241 1.00 0.00 O ATOM 296 CB LYS A 18 -10.040 -2.675 4.479 1.00 0.00 C ATOM 297 CG LYS A 18 -10.820 -1.372 4.464 1.00 0.00 C ATOM 298 CD LYS A 18 -10.140 -0.305 5.313 1.00 0.00 C ATOM 299 CE LYS A 18 -11.120 0.329 6.292 1.00 0.00 C ATOM 300 NZ LYS A 18 -10.990 -0.251 7.658 1.00 0.00 N ATOM 0 H LYS A 18 -9.938 -5.131 4.620 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.338 -3.393 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.280 -3.222 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.974 -2.450 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.916 -1.016 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.829 -1.546 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.309 -0.749 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.719 0.465 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.946 1.404 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.139 0.185 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.673 0.206 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.181 -1.273 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.025 -0.091 8.013 1.00 0.00 H new ATOM 314 N THR A 19 -8.166 -3.821 2.189 1.00 0.00 N ATOM 315 CA THR A 19 -7.154 -3.581 1.166 1.00 0.00 C ATOM 316 C THR A 19 -7.662 -3.998 -0.210 1.00 0.00 C ATOM 317 O THR A 19 -7.615 -3.218 -1.162 1.00 0.00 O ATOM 318 CB THR A 19 -5.872 -4.345 1.501 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.810 -4.644 2.884 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.612 -3.588 1.139 1.00 0.00 C ATOM 0 H THR A 19 -7.877 -4.464 2.926 1.00 0.00 H new ATOM 0 HA THR A 19 -6.939 -2.513 1.146 1.00 0.00 H new ATOM 0 HB THR A 19 -5.916 -5.255 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.983 -5.133 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.740 -4.186 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.604 -3.387 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.584 -2.645 1.685 1.00 0.00 H new ATOM 328 N ALA A 20 -8.144 -5.231 -0.309 1.00 0.00 N ATOM 329 CA ALA A 20 -8.659 -5.753 -1.569 1.00 0.00 C ATOM 330 C ALA A 20 -9.934 -5.029 -1.992 1.00 0.00 C ATOM 331 O ALA A 20 -10.270 -4.992 -3.174 1.00 0.00 O ATOM 332 CB ALA A 20 -8.914 -7.248 -1.453 1.00 0.00 C ATOM 0 H ALA A 20 -8.189 -5.889 0.469 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.906 -5.579 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.298 -7.626 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.982 -7.758 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.645 -7.432 -0.665 1.00 0.00 H new ATOM 338 N LYS A 21 -10.630 -4.457 -1.020 1.00 0.00 N ATOM 339 CA LYS A 21 -11.870 -3.739 -1.296 1.00 0.00 C ATOM 340 C LYS A 21 -11.590 -2.300 -1.716 1.00 0.00 C ATOM 341 O LYS A 21 -12.220 -1.780 -2.639 1.00 0.00 O ATOM 342 CB LYS A 21 -12.780 -3.757 -0.064 1.00 0.00 C ATOM 343 CG LYS A 21 -14.250 -4.000 -0.392 1.00 0.00 C ATOM 344 CD LYS A 21 -15.120 -3.914 0.850 1.00 0.00 C ATOM 345 CE LYS A 21 -15.530 -5.294 1.339 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.670 -5.227 2.290 1.00 0.00 N ATOM 0 H LYS A 21 -10.360 -4.475 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.374 -4.244 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.436 -4.533 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.686 -2.806 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.586 -3.266 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.364 -4.983 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.579 -3.393 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.011 -3.325 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.804 -5.915 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.680 -5.775 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.920 -6.188 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.400 -4.655 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.489 -4.791 1.820 1.00 0.00 H new ATOM 360 N ASP A 22 -10.650 -1.658 -1.035 1.00 0.00 N ATOM 361 CA ASP A 22 -10.300 -0.278 -1.338 1.00 0.00 C ATOM 362 C ASP A 22 -9.514 -0.188 -2.644 1.00 0.00 C ATOM 363 O ASP A 22 -9.652 0.775 -3.397 1.00 0.00 O ATOM 364 CB ASP A 22 -9.480 0.318 -0.192 1.00 0.00 C ATOM 365 CG ASP A 22 -10.310 1.188 0.726 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.580 2.353 0.362 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.700 0.704 1.809 1.00 0.00 O ATOM 0 H ASP A 22 -10.117 -2.071 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.223 0.291 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.031 -0.489 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.662 0.908 -0.604 1.00 0.00 H new ATOM 372 N LEU A 23 -8.689 -1.196 -2.903 1.00 0.00 N ATOM 373 CA LEU A 23 -7.880 -1.228 -4.118 1.00 0.00 C ATOM 374 C LEU A 23 -8.707 -1.695 -5.312 1.00 0.00 C ATOM 375 O LEU A 23 -8.423 -1.331 -6.454 1.00 0.00 O ATOM 376 CB LEU A 23 -6.674 -2.149 -3.927 1.00 0.00 C ATOM 377 CG LEU A 23 -5.452 -1.490 -3.276 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.265 -1.991 -1.853 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.200 -1.751 -4.103 1.00 0.00 C ATOM 0 H LEU A 23 -8.562 -2.001 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.529 -0.216 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.978 -2.999 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.380 -2.544 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.623 -0.414 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.393 -1.511 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.150 -1.751 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.118 -3.071 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.343 -1.276 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.027 -2.825 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.332 -1.339 -5.104 1.00 0.00 H new ATOM 391 N GLY A 24 -9.730 -2.499 -5.043 1.00 0.00 N ATOM 392 CA GLY A 24 -10.580 -2.999 -6.109 1.00 0.00 C ATOM 393 C GLY A 24 -10.070 -4.307 -6.686 1.00 0.00 C ATOM 394 O GLY A 24 -10.240 -4.572 -7.877 1.00 0.00 O ATOM 0 H GLY A 24 -9.986 -2.813 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.591 -3.142 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.641 -2.254 -6.902 1.00 0.00 H new ATOM 398 N VAL A 25 -9.461 -5.126 -5.840 1.00 0.00 N ATOM 399 CA VAL A 25 -8.930 -6.413 -6.272 1.00 0.00 C ATOM 400 C VAL A 25 -9.379 -7.531 -5.336 1.00 0.00 C ATOM 401 O VAL A 25 -10.120 -7.295 -4.385 1.00 0.00 O ATOM 402 CB VAL A 25 -7.392 -6.393 -6.330 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.913 -5.536 -7.491 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.815 -5.891 -5.014 1.00 0.00 C ATOM 0 H VAL A 25 -9.322 -4.923 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.321 -6.600 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.039 -7.412 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.823 -5.534 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.297 -5.943 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.275 -4.516 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.727 -5.884 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.175 -4.880 -4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.130 -6.549 -4.204 1.00 0.00 H new ATOM 414 N GLN A 26 -8.919 -8.748 -5.610 1.00 0.00 N ATOM 415 CA GLN A 26 -9.272 -9.898 -4.791 1.00 0.00 C ATOM 416 C GLN A 26 -8.198 -10.162 -3.743 1.00 0.00 C ATOM 417 O GLN A 26 -7.017 -9.896 -3.965 1.00 0.00 O ATOM 418 CB GLN A 26 -9.459 -11.141 -5.664 1.00 0.00 C ATOM 419 CG GLN A 26 -10.190 -10.867 -6.969 1.00 0.00 C ATOM 420 CD GLN A 26 -11.220 -11.928 -7.293 1.00 0.00 C ATOM 421 OE1 GLN A 26 -11.350 -12.926 -6.584 1.00 0.00 O ATOM 422 NE2 GLN A 26 -11.970 -11.719 -8.371 1.00 0.00 N ATOM 0 H GLN A 26 -8.301 -8.961 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.211 -9.676 -4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.481 -11.567 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.012 -11.891 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.681 -9.896 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.466 -10.809 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.832 -10.879 -8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.683 -12.398 -8.636 1.00 0.00 H new ATOM 431 N GLN A 27 -8.620 -10.686 -2.601 1.00 0.00 N ATOM 432 CA GLN A 27 -7.700 -10.991 -1.513 1.00 0.00 C ATOM 433 C GLN A 27 -6.633 -11.988 -1.958 1.00 0.00 C ATOM 434 O GLN A 27 -5.573 -12.094 -1.341 1.00 0.00 O ATOM 435 CB GLN A 27 -8.465 -11.546 -0.310 1.00 0.00 C ATOM 436 CG GLN A 27 -9.591 -10.642 0.166 1.00 0.00 C ATOM 437 CD GLN A 27 -10.220 -11.125 1.457 1.00 0.00 C ATOM 438 OE1 GLN A 27 -9.844 -10.501 2.568 1.00 0.00 O flip ATOM 439 NE2 GLN A 27 -11.030 -12.047 1.458 1.00 0.00 N flip ATOM 0 H GLN A 27 -9.595 -10.909 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.203 -10.065 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.878 -12.520 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.767 -11.706 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.206 -9.633 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.357 -10.584 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.290 -12.498 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.443 -12.362 2.336 1.00 0.00 H new ATOM 448 N SER A 28 -6.921 -12.718 -3.030 1.00 0.00 N ATOM 449 CA SER A 28 -5.988 -13.706 -3.555 1.00 0.00 C ATOM 450 C SER A 28 -4.730 -13.034 -4.097 1.00 0.00 C ATOM 451 O SER A 28 -3.615 -13.499 -3.863 1.00 0.00 O ATOM 452 CB SER A 28 -6.654 -14.533 -4.656 1.00 0.00 C ATOM 453 OG SER A 28 -6.251 -15.890 -4.590 1.00 0.00 O ATOM 0 H SER A 28 -7.794 -12.643 -3.552 1.00 0.00 H new ATOM 0 HA SER A 28 -5.700 -14.367 -2.737 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.738 -14.467 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.396 -14.121 -5.631 1.00 0.00 H new ATOM 0 HG SER A 28 -6.692 -16.397 -5.303 1.00 0.00 H new ATOM 459 N ALA A 29 -4.920 -11.938 -4.824 1.00 0.00 N ATOM 460 CA ALA A 29 -3.801 -11.201 -5.401 1.00 0.00 C ATOM 461 C ALA A 29 -2.931 -10.583 -4.313 1.00 0.00 C ATOM 462 O ALA A 29 -1.705 -10.554 -4.428 1.00 0.00 O ATOM 463 CB ALA A 29 -4.311 -10.125 -6.348 1.00 0.00 C ATOM 0 H ALA A 29 -5.837 -11.541 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.187 -11.904 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.466 -9.583 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.884 -10.589 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.950 -9.432 -5.801 1.00 0.00 H new ATOM 469 N ILE A 30 -3.569 -10.093 -3.256 1.00 0.00 N ATOM 470 CA ILE A 30 -2.847 -9.479 -2.149 1.00 0.00 C ATOM 471 C ILE A 30 -1.876 -10.470 -1.519 1.00 0.00 C ATOM 472 O ILE A 30 -0.710 -10.149 -1.288 1.00 0.00 O ATOM 473 CB ILE A 30 -3.809 -8.957 -1.063 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.908 -8.095 -1.689 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.045 -8.168 -0.011 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.378 -6.955 -2.531 1.00 0.00 C ATOM 0 H ILE A 30 -4.583 -10.109 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.293 -8.636 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.279 -9.813 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.545 -8.727 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.535 -7.689 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.739 -7.807 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.299 -8.811 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.549 -7.320 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.213 -6.388 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.764 -6.300 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.774 -7.355 -3.346 1.00 0.00 H new ATOM 488 N ASN A 31 -2.362 -11.678 -1.251 1.00 0.00 N ATOM 489 CA ASN A 31 -1.532 -12.716 -0.656 1.00 0.00 C ATOM 490 C ASN A 31 -0.348 -13.037 -1.562 1.00 0.00 C ATOM 491 O ASN A 31 0.769 -13.248 -1.091 1.00 0.00 O ATOM 492 CB ASN A 31 -2.359 -13.980 -0.407 1.00 0.00 C ATOM 493 CG ASN A 31 -2.767 -14.126 1.046 1.00 0.00 C ATOM 494 OD1 ASN A 31 -1.884 -14.702 1.854 1.00 0.00 O flip ATOM 495 ND2 ASN A 31 -3.864 -13.726 1.438 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.324 -11.960 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.153 -12.349 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.252 -13.956 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.782 -14.854 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.512 -13.289 0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.125 -13.832 2.418 1.00 0.00 H new ATOM 502 N LYS A 32 -0.603 -13.068 -2.866 1.00 0.00 N ATOM 503 CA LYS A 32 0.435 -13.358 -3.845 1.00 0.00 C ATOM 504 C LYS A 32 1.506 -12.276 -3.843 1.00 0.00 C ATOM 505 O LYS A 32 2.674 -12.540 -4.129 1.00 0.00 O ATOM 506 CB LYS A 32 -0.178 -13.485 -5.241 1.00 0.00 C ATOM 507 CG LYS A 32 -0.071 -14.881 -5.828 1.00 0.00 C ATOM 508 CD LYS A 32 -1.165 -15.143 -6.849 1.00 0.00 C ATOM 509 CE LYS A 32 -1.022 -14.241 -8.063 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.806 -14.741 -9.226 1.00 0.00 N ATOM 0 H LYS A 32 -1.524 -12.895 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 32 0.904 -14.303 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.229 -13.199 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.315 -12.780 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.904 -15.005 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.135 -15.619 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.128 -16.186 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.140 -14.983 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.354 -13.235 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.030 -14.169 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.680 -14.096 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.473 -15.691 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.814 -14.785 -8.972 1.00 0.00 H new ATOM 524 N TRP A 33 1.094 -11.059 -3.531 1.00 0.00 N ATOM 525 CA TRP A 33 1.995 -9.927 -3.497 1.00 0.00 C ATOM 526 C TRP A 33 2.956 -10.017 -2.317 1.00 0.00 C ATOM 527 O TRP A 33 4.163 -9.839 -2.471 1.00 0.00 O ATOM 528 CB TRP A 33 1.161 -8.660 -3.416 1.00 0.00 C ATOM 529 CG TRP A 33 0.384 -8.408 -4.657 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.569 -9.024 -5.843 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.704 -7.503 -4.833 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.325 -8.554 -6.769 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.121 -7.614 -6.171 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.359 -6.610 -3.990 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -2.169 -6.859 -6.688 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.402 -5.858 -4.501 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.798 -5.987 -5.840 1.00 0.00 C ATOM 0 H TRP A 33 0.128 -10.831 -3.295 1.00 0.00 H new ATOM 0 HA TRP A 33 2.604 -9.919 -4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.476 -8.734 -2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.816 -7.810 -3.223 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.316 -9.780 -6.035 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.387 -8.854 -7.742 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.059 -6.506 -2.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.475 -6.957 -7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.919 -5.161 -3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.616 -5.386 -6.210 1.00 0.00 H new ATOM 548 N ILE A 34 2.410 -10.302 -1.140 1.00 0.00 N ATOM 549 CA ILE A 34 3.218 -10.423 0.068 1.00 0.00 C ATOM 550 C ILE A 34 3.841 -11.815 0.184 1.00 0.00 C ATOM 551 O ILE A 34 4.706 -12.046 1.029 1.00 0.00 O ATOM 552 CB ILE A 34 2.383 -10.139 1.332 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.603 -8.834 1.173 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.283 -10.080 2.558 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.617 -8.578 2.291 1.00 0.00 C ATOM 0 H ILE A 34 1.412 -10.454 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 34 4.013 -9.681 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 34 1.669 -10.951 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.307 -8.003 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.067 -8.854 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.679 -9.879 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.797 -11.034 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.018 -9.285 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.100 -7.635 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.110 -9.389 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.149 -8.525 3.241 1.00 0.00 H new ATOM 567 N HIS A 35 3.397 -12.738 -0.667 1.00 0.00 N ATOM 568 CA HIS A 35 3.915 -14.102 -0.653 1.00 0.00 C ATOM 569 C HIS A 35 5.308 -14.165 -1.268 1.00 0.00 C ATOM 570 O HIS A 35 6.123 -15.013 -0.904 1.00 0.00 O ATOM 571 CB HIS A 35 2.969 -15.034 -1.409 1.00 0.00 C ATOM 572 CG HIS A 35 2.074 -15.836 -0.517 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.858 -15.525 0.810 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.336 -16.942 -0.768 1.00 0.00 C ATOM 575 CE1 HIS A 35 1.028 -16.408 1.336 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.696 -17.277 0.400 1.00 0.00 N ATOM 0 H HIS A 35 2.681 -12.565 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 35 3.984 -14.426 0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.355 -14.442 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.558 -15.714 -2.024 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.264 -17.464 -1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.680 -16.417 2.358 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.066 -18.069 0.524 1.00 0.00 H new ATOM 585 N ALA A 36 5.568 -13.265 -2.204 1.00 0.00 N ATOM 586 CA ALA A 36 6.859 -13.213 -2.879 1.00 0.00 C ATOM 587 C ALA A 36 7.655 -11.974 -2.476 1.00 0.00 C ATOM 588 O ALA A 36 8.741 -11.726 -3.001 1.00 0.00 O ATOM 589 CB ALA A 36 6.663 -13.249 -4.387 1.00 0.00 C ATOM 0 H ALA A 36 4.901 -12.558 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 36 7.432 -14.088 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.634 -13.210 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.151 -14.170 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.063 -12.393 -4.697 1.00 0.00 H new ATOM 595 N GLY A 37 7.115 -11.196 -1.540 1.00 0.00 N ATOM 596 CA GLY A 37 7.798 -9.999 -1.088 1.00 0.00 C ATOM 597 C GLY A 37 7.838 -8.915 -2.147 1.00 0.00 C ATOM 598 O GLY A 37 8.898 -8.358 -2.434 1.00 0.00 O ATOM 0 H GLY A 37 6.218 -11.374 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.299 -9.614 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.817 -10.255 -0.796 1.00 0.00 H new ATOM 602 N ARG A 38 6.682 -8.613 -2.729 1.00 0.00 N ATOM 603 CA ARG A 38 6.594 -7.586 -3.760 1.00 0.00 C ATOM 604 C ARG A 38 6.508 -6.198 -3.135 1.00 0.00 C ATOM 605 O ARG A 38 5.487 -5.826 -2.558 1.00 0.00 O ATOM 606 CB ARG A 38 5.377 -7.832 -4.655 1.00 0.00 C ATOM 607 CG ARG A 38 5.431 -7.078 -5.975 1.00 0.00 C ATOM 608 CD ARG A 38 5.502 -8.029 -7.161 1.00 0.00 C ATOM 609 NE ARG A 38 5.620 -7.311 -8.428 1.00 0.00 N ATOM 610 CZ ARG A 38 6.012 -7.878 -9.568 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.322 -9.168 -9.603 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.093 -7.155 -10.675 1.00 0.00 N ATOM 0 H ARG A 38 5.795 -9.064 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 38 7.497 -7.638 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.296 -8.900 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.475 -7.541 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.549 -6.444 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.300 -6.420 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.356 -8.696 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.609 -8.654 -7.179 1.00 0.00 H new ATOM 0 HE ARG A 38 5.389 -6.318 -8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.261 -9.730 -8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.622 -9.597 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.855 -6.163 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.393 -7.590 -11.547 1.00 0.00 H new ATOM 626 N LYS A 39 7.591 -5.435 -3.250 1.00 0.00 N ATOM 627 CA LYS A 39 7.642 -4.089 -2.694 1.00 0.00 C ATOM 628 C LYS A 39 6.594 -3.189 -3.344 1.00 0.00 C ATOM 629 O LYS A 39 6.752 -2.763 -4.488 1.00 0.00 O ATOM 630 CB LYS A 39 9.039 -3.490 -2.880 1.00 0.00 C ATOM 631 CG LYS A 39 9.719 -3.116 -1.572 1.00 0.00 C ATOM 632 CD LYS A 39 10.721 -4.176 -1.142 1.00 0.00 C ATOM 633 CE LYS A 39 11.960 -3.553 -0.521 1.00 0.00 C ATOM 634 NZ LYS A 39 13.209 -4.218 -0.985 1.00 0.00 N ATOM 0 H LYS A 39 8.446 -5.727 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 39 7.423 -4.154 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.664 -4.206 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.964 -2.602 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.227 -2.158 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.967 -2.987 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.253 -4.850 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.008 -4.777 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.998 -2.493 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.895 -3.621 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.031 -3.763 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.185 -5.224 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.285 -4.132 -2.019 1.00 0.00 H new ATOM 648 N ILE A 40 5.527 -2.902 -2.606 1.00 0.00 N ATOM 649 CA ILE A 40 4.456 -2.052 -3.109 1.00 0.00 C ATOM 650 C ILE A 40 4.014 -1.045 -2.052 1.00 0.00 C ATOM 651 O ILE A 40 4.217 -1.255 -0.856 1.00 0.00 O ATOM 652 CB ILE A 40 3.234 -2.882 -3.552 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.654 -3.938 -4.576 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.154 -1.974 -4.127 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.493 -4.737 -5.131 1.00 0.00 C ATOM 0 H ILE A 40 5.382 -3.246 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 40 4.855 -1.521 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 40 2.823 -3.391 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.174 -3.448 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.365 -4.621 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.299 -2.576 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.839 -1.257 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.550 -1.439 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.864 -5.467 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.986 -5.256 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.792 -4.065 -5.625 1.00 0.00 H new ATOM 667 N PHE A 41 3.404 0.046 -2.502 1.00 0.00 N ATOM 668 CA PHE A 41 2.927 1.085 -1.597 1.00 0.00 C ATOM 669 C PHE A 41 1.622 1.688 -2.102 1.00 0.00 C ATOM 670 O PHE A 41 1.532 2.123 -3.250 1.00 0.00 O ATOM 671 CB PHE A 41 3.977 2.188 -1.441 1.00 0.00 C ATOM 672 CG PHE A 41 5.246 1.729 -0.778 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.153 0.937 -1.465 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.531 2.092 0.527 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.321 0.514 -0.858 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.698 1.673 1.138 1.00 0.00 C ATOM 677 CZ PHE A 41 7.594 0.882 0.445 1.00 0.00 C ATOM 0 H PHE A 41 3.228 0.234 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 41 2.748 0.624 -0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.217 2.590 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.549 3.004 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.945 0.648 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.834 2.709 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.020 -0.104 -1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.909 1.964 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.506 0.552 0.921 1.00 0.00 H new ATOM 687 N LEU A 42 0.612 1.716 -1.238 1.00 0.00 N ATOM 688 CA LEU A 42 -0.683 2.275 -1.604 1.00 0.00 C ATOM 689 C LEU A 42 -0.803 3.717 -1.130 1.00 0.00 C ATOM 690 O LEU A 42 -0.226 4.099 -0.113 1.00 0.00 O ATOM 691 CB LEU A 42 -1.835 1.435 -1.033 1.00 0.00 C ATOM 692 CG LEU A 42 -1.500 0.548 0.172 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.567 -0.589 -0.227 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.908 1.372 1.310 1.00 0.00 C ATOM 0 H LEU A 42 0.666 1.360 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.753 2.256 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.641 2.111 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.221 0.798 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.429 0.105 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.346 -1.202 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.047 -1.203 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.360 -0.176 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.680 0.718 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.006 1.858 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.627 2.129 1.623 1.00 0.00 H new ATOM 706 N THR A 43 -1.557 4.515 -1.878 1.00 0.00 N ATOM 707 CA THR A 43 -1.754 5.919 -1.538 1.00 0.00 C ATOM 708 C THR A 43 -3.207 6.186 -1.165 1.00 0.00 C ATOM 709 O THR A 43 -4.115 5.972 -1.969 1.00 0.00 O ATOM 710 CB THR A 43 -1.344 6.808 -2.711 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.037 6.489 -3.152 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.369 8.285 -2.379 1.00 0.00 C ATOM 0 H THR A 43 -2.042 4.214 -2.723 1.00 0.00 H new ATOM 0 HA THR A 43 -1.128 6.153 -0.677 1.00 0.00 H new ATOM 0 HB THR A 43 -2.081 6.614 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.049 6.322 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.068 8.860 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.378 8.575 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.680 8.485 -1.559 1.00 0.00 H new ATOM 720 N ILE A 44 -3.420 6.655 0.060 1.00 0.00 N ATOM 721 CA ILE A 44 -4.764 6.954 0.539 1.00 0.00 C ATOM 722 C ILE A 44 -5.194 8.355 0.122 1.00 0.00 C ATOM 723 O ILE A 44 -4.620 9.348 0.571 1.00 0.00 O ATOM 724 CB ILE A 44 -4.856 6.833 2.072 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.256 5.505 2.538 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.302 6.957 2.526 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.305 5.315 4.039 1.00 0.00 C ATOM 0 H ILE A 44 -2.680 6.836 0.738 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.432 6.221 0.086 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.284 7.645 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.791 4.685 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.219 5.447 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.351 6.870 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.697 7.926 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.896 6.164 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.863 4.353 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.746 6.114 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.341 5.341 4.375 1.00 0.00 H new ATOM 739 N ASN A 45 -6.203 8.429 -0.738 1.00 0.00 N ATOM 740 CA ASN A 45 -6.705 9.711 -1.215 1.00 0.00 C ATOM 741 C ASN A 45 -7.631 10.352 -0.186 1.00 0.00 C ATOM 742 O ASN A 45 -7.982 9.732 0.819 1.00 0.00 O ATOM 743 CB ASN A 45 -7.448 9.531 -2.540 1.00 0.00 C ATOM 744 CG ASN A 45 -6.546 9.013 -3.643 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.823 9.779 -4.280 1.00 0.00 O ATOM 746 ND2 ASN A 45 -6.584 7.706 -3.874 1.00 0.00 N ATOM 0 H ASN A 45 -6.689 7.617 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.851 10.370 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.277 8.838 -2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.879 10.485 -2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.999 7.300 -4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.199 7.108 -3.321 1.00 0.00 H new ATOM 753 N ALA A 46 -8.023 11.596 -0.442 1.00 0.00 N ATOM 754 CA ALA A 46 -8.909 12.321 0.462 1.00 0.00 C ATOM 755 C ALA A 46 -10.370 11.982 0.203 1.00 0.00 C ATOM 756 O ALA A 46 -11.270 12.548 0.833 1.00 0.00 O ATOM 757 CB ALA A 46 -8.682 13.820 0.328 1.00 0.00 C ATOM 0 H ALA A 46 -7.741 12.123 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.673 12.013 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.349 14.351 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.647 14.055 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.887 14.129 -0.697 1.00 0.00 H new ATOM 763 N ASP A 47 -10.610 11.057 -0.721 1.00 0.00 N ATOM 764 CA ASP A 47 -11.970 10.647 -1.055 1.00 0.00 C ATOM 765 C ASP A 47 -12.290 9.275 -0.463 1.00 0.00 C ATOM 766 O ASP A 47 -13.450 8.892 -0.349 1.00 0.00 O ATOM 767 CB ASP A 47 -12.180 10.617 -2.575 1.00 0.00 C ATOM 768 CG ASP A 47 -10.870 10.535 -3.354 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.070 11.488 -3.267 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.660 9.519 -4.047 1.00 0.00 O ATOM 0 H ASP A 47 -9.882 10.578 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.648 11.383 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.805 9.762 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.723 11.512 -2.880 1.00 0.00 H new ATOM 775 N GLY A 48 -11.250 8.537 -0.094 1.00 0.00 N ATOM 776 CA GLY A 48 -11.440 7.216 0.473 1.00 0.00 C ATOM 777 C GLY A 48 -10.900 6.115 -0.425 1.00 0.00 C ATOM 778 O GLY A 48 -11.140 4.934 -0.175 1.00 0.00 O ATOM 0 H GLY A 48 -10.277 8.831 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.945 7.165 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.503 7.049 0.649 1.00 0.00 H new ATOM 782 N SER A 49 -10.180 6.502 -1.475 1.00 0.00 N ATOM 783 CA SER A 49 -9.622 5.537 -2.409 1.00 0.00 C ATOM 784 C SER A 49 -8.192 5.176 -2.023 1.00 0.00 C ATOM 785 O SER A 49 -7.523 5.924 -1.309 1.00 0.00 O ATOM 786 CB SER A 49 -9.657 6.093 -3.830 1.00 0.00 C ATOM 787 OG SER A 49 -10.460 5.293 -4.672 1.00 0.00 O ATOM 0 H SER A 49 -9.971 7.475 -1.697 1.00 0.00 H new ATOM 0 HA SER A 49 -10.229 4.633 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.044 7.112 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.644 6.142 -4.229 1.00 0.00 H new ATOM 0 HG SER A 49 -10.466 5.673 -5.575 1.00 0.00 H new ATOM 793 N VAL A 50 -7.729 4.024 -2.497 1.00 0.00 N ATOM 794 CA VAL A 50 -6.377 3.562 -2.203 1.00 0.00 C ATOM 795 C VAL A 50 -5.793 2.808 -3.393 1.00 0.00 C ATOM 796 O VAL A 50 -6.186 1.677 -3.675 1.00 0.00 O ATOM 797 CB VAL A 50 -6.344 2.643 -0.963 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.997 2.745 -0.263 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.475 2.982 -0.001 1.00 0.00 C ATOM 0 H VAL A 50 -8.271 3.393 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.777 4.449 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.485 1.615 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.990 2.091 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.206 2.443 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.829 3.774 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.428 2.320 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.375 4.016 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.433 2.853 -0.505 1.00 0.00 H new ATOM 809 N TYR A 51 -4.855 3.442 -4.090 1.00 0.00 N ATOM 810 CA TYR A 51 -4.223 2.824 -5.250 1.00 0.00 C ATOM 811 C TYR A 51 -2.790 2.411 -4.935 1.00 0.00 C ATOM 812 O TYR A 51 -2.059 3.132 -4.254 1.00 0.00 O ATOM 813 CB TYR A 51 -4.246 3.780 -6.444 1.00 0.00 C ATOM 814 CG TYR A 51 -3.439 5.041 -6.238 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.049 5.010 -6.238 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.066 6.266 -6.048 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.309 6.163 -6.054 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.333 7.423 -5.863 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.956 7.366 -5.867 1.00 0.00 C ATOM 820 OH TYR A 51 -1.223 8.516 -5.684 1.00 0.00 O ATOM 0 H TYR A 51 -4.517 4.380 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.789 1.928 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.866 3.257 -7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.279 4.053 -6.658 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.539 4.069 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.145 6.315 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.230 6.122 -6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.837 8.367 -5.716 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.831 9.276 -5.568 1.00 0.00 H new ATOM 830 N ALA A 52 -2.394 1.242 -5.430 1.00 0.00 N ATOM 831 CA ALA A 52 -1.051 0.727 -5.199 1.00 0.00 C ATOM 832 C ALA A 52 -0.085 1.195 -6.281 1.00 0.00 C ATOM 833 O ALA A 52 -0.365 1.072 -7.475 1.00 0.00 O ATOM 834 CB ALA A 52 -1.073 -0.793 -5.132 1.00 0.00 C ATOM 0 H ALA A 52 -2.987 0.633 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.701 1.119 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.063 -1.164 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.721 -1.112 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.450 -1.193 -6.073 1.00 0.00 H new ATOM 840 N GLU A 53 1.055 1.729 -5.856 1.00 0.00 N ATOM 841 CA GLU A 53 2.067 2.214 -6.786 1.00 0.00 C ATOM 842 C GLU A 53 3.272 1.278 -6.807 1.00 0.00 C ATOM 843 O GLU A 53 3.656 0.723 -5.778 1.00 0.00 O ATOM 844 CB GLU A 53 2.508 3.628 -6.404 1.00 0.00 C ATOM 845 CG GLU A 53 1.770 4.718 -7.163 1.00 0.00 C ATOM 846 CD GLU A 53 2.211 6.112 -6.757 1.00 0.00 C ATOM 847 OE1 GLU A 53 3.258 6.235 -6.088 1.00 0.00 O ATOM 848 OE2 GLU A 53 1.506 7.083 -7.110 1.00 0.00 O ATOM 0 H GLU A 53 1.301 1.837 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 53 1.629 2.239 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.353 3.772 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.578 3.729 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.934 4.586 -8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.699 4.615 -6.990 1.00 0.00 H new ATOM 855 N GLU A 54 3.864 1.106 -7.984 1.00 0.00 N ATOM 856 CA GLU A 54 5.023 0.236 -8.136 1.00 0.00 C ATOM 857 C GLU A 54 6.310 1.048 -8.227 1.00 0.00 C ATOM 858 O GLU A 54 6.368 2.066 -8.918 1.00 0.00 O ATOM 859 CB GLU A 54 4.870 -0.640 -9.381 1.00 0.00 C ATOM 860 CG GLU A 54 5.788 -1.851 -9.388 1.00 0.00 C ATOM 861 CD GLU A 54 6.722 -1.872 -10.584 1.00 0.00 C ATOM 862 OE1 GLU A 54 7.742 -1.152 -10.552 1.00 0.00 O ATOM 863 OE2 GLU A 54 6.431 -2.606 -11.550 1.00 0.00 O ATOM 0 H GLU A 54 3.560 1.558 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 54 5.082 -0.403 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.836 -0.978 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.071 -0.037 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.378 -1.860 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.185 -2.759 -9.387 1.00 0.00 H new ATOM 870 N VAL A 55 7.342 0.589 -7.526 1.00 0.00 N ATOM 871 CA VAL A 55 8.631 1.270 -7.526 1.00 0.00 C ATOM 872 C VAL A 55 9.771 0.280 -7.735 1.00 0.00 C ATOM 873 O VAL A 55 10.433 -0.131 -6.781 1.00 0.00 O ATOM 874 CB VAL A 55 8.864 2.035 -6.210 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.123 2.885 -6.302 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.654 2.894 -5.872 1.00 0.00 C ATOM 0 H VAL A 55 7.310 -0.252 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 55 8.614 1.982 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 55 9.002 1.310 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.271 3.418 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.982 2.243 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.018 3.604 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.836 3.428 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.483 3.612 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.776 2.258 -5.761 1.00 0.00 H new ATOM 886 N LYS A 56 9.994 -0.101 -8.987 1.00 0.00 N ATOM 887 CA LYS A 56 11.052 -1.047 -9.323 1.00 0.00 C ATOM 888 C LYS A 56 11.855 -0.561 -10.529 1.00 0.00 C ATOM 889 O LYS A 56 11.386 -0.637 -11.666 1.00 0.00 O ATOM 890 CB LYS A 56 10.459 -2.426 -9.618 1.00 0.00 C ATOM 891 CG LYS A 56 9.588 -2.968 -8.494 1.00 0.00 C ATOM 892 CD LYS A 56 10.271 -4.109 -7.757 1.00 0.00 C ATOM 893 CE LYS A 56 9.650 -4.341 -6.389 1.00 0.00 C ATOM 894 NZ LYS A 56 10.601 -4.998 -5.451 1.00 0.00 N ATOM 0 H LYS A 56 9.456 0.231 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 56 11.722 -1.121 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.866 -2.369 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.271 -3.128 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.359 -2.166 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.639 -3.315 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.199 -5.021 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.332 -3.886 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.328 -3.388 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.759 -4.960 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.078 -5.632 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.298 -5.548 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.092 -4.273 -4.890 1.00 0.00 H new ATOM 908 N PRO A 57 13.082 -0.055 -10.302 1.00 0.00 N ATOM 909 CA PRO A 57 13.942 0.440 -11.383 1.00 0.00 C ATOM 910 C PRO A 57 14.085 -0.569 -12.518 1.00 0.00 C ATOM 911 O PRO A 57 14.273 -1.761 -12.281 1.00 0.00 O ATOM 912 CB PRO A 57 15.289 0.659 -10.691 1.00 0.00 C ATOM 913 CG PRO A 57 14.945 0.909 -9.265 1.00 0.00 C ATOM 914 CD PRO A 57 13.726 0.075 -8.981 1.00 0.00 C ATOM 0 HA PRO A 57 13.535 1.337 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.934 -0.213 -10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.824 1.505 -11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.770 0.630 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.744 1.966 -9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.993 -0.897 -8.567 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.068 0.559 -8.259 1.00 0.00 H new ATOM 922 N ASP A 58 13.994 -0.081 -13.751 1.00 0.00 N ATOM 923 CA ASP A 58 14.113 -0.941 -14.923 1.00 0.00 C ATOM 924 C ASP A 58 15.455 -0.724 -15.622 1.00 0.00 C ATOM 925 O ASP A 58 15.860 0.414 -15.854 1.00 0.00 O ATOM 926 CB ASP A 58 12.965 -0.668 -15.898 1.00 0.00 C ATOM 927 CG ASP A 58 12.256 -1.938 -16.326 1.00 0.00 C ATOM 928 OD1 ASP A 58 11.881 -2.736 -15.440 1.00 0.00 O ATOM 929 OD2 ASP A 58 12.076 -2.135 -17.545 1.00 0.00 O ATOM 0 H ASP A 58 13.838 0.904 -13.964 1.00 0.00 H new ATOM 0 HA ASP A 58 14.060 -1.978 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.247 0.006 -15.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.354 -0.158 -16.779 1.00 0.00 H new ATOM 934 N PRO A 59 16.169 -1.813 -15.969 1.00 0.00 N ATOM 935 CA PRO A 59 17.470 -1.723 -16.644 1.00 0.00 C ATOM 936 C PRO A 59 17.370 -1.051 -18.011 1.00 0.00 C ATOM 937 O PRO A 59 17.416 -1.716 -19.046 1.00 0.00 O ATOM 938 CB PRO A 59 17.907 -3.188 -16.800 1.00 0.00 C ATOM 939 CG PRO A 59 17.073 -3.952 -15.829 1.00 0.00 C ATOM 940 CD PRO A 59 15.771 -3.212 -15.730 1.00 0.00 C ATOM 0 HA PRO A 59 18.175 -1.116 -16.076 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.746 -3.540 -17.819 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.969 -3.307 -16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.915 -4.975 -16.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.562 -4.012 -14.857 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.051 -3.560 -16.471 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.308 -3.339 -14.752 1.00 0.00 H new ATOM 948 N SER A 60 17.233 0.272 -18.007 1.00 0.00 N ATOM 949 CA SER A 60 17.128 1.035 -19.248 1.00 0.00 C ATOM 950 C SER A 60 16.030 0.475 -20.146 1.00 0.00 C ATOM 951 O SER A 60 16.297 -0.318 -21.049 1.00 0.00 O ATOM 952 CB SER A 60 18.465 1.025 -19.992 1.00 0.00 C ATOM 953 OG SER A 60 19.408 1.870 -19.358 1.00 0.00 O ATOM 0 H SER A 60 17.192 0.838 -17.159 1.00 0.00 H new ATOM 0 HA SER A 60 16.869 2.062 -18.990 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.854 0.008 -20.033 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.314 1.351 -21.021 1.00 0.00 H new ATOM 0 HG SER A 60 20.254 1.844 -19.852 1.00 0.00 H new ATOM 959 N ASN A 61 14.793 0.891 -19.891 1.00 0.00 N ATOM 960 CA ASN A 61 13.654 0.430 -20.678 1.00 0.00 C ATOM 961 C ASN A 61 13.055 1.573 -21.492 1.00 0.00 C ATOM 962 O ASN A 61 13.005 2.714 -21.035 1.00 0.00 O ATOM 963 CB ASN A 61 12.587 -0.173 -19.763 1.00 0.00 C ATOM 964 CG ASN A 61 11.691 -1.156 -20.490 1.00 0.00 C ATOM 965 OD1 ASN A 61 10.530 -0.862 -20.777 1.00 0.00 O ATOM 966 ND2 ASN A 61 12.226 -2.333 -20.792 1.00 0.00 N ATOM 0 H ASN A 61 14.554 1.546 -19.146 1.00 0.00 H new ATOM 0 HA ASN A 61 14.008 -0.336 -21.368 1.00 0.00 H new ATOM 0 HB2 ASN A 61 13.072 -0.677 -18.927 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.978 0.627 -19.343 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.671 -3.035 -21.281 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.192 -2.535 -20.535 1.00 0.00 H new ATOM 973 N LYS A 62 12.603 1.256 -22.702 1.00 0.00 N ATOM 974 CA LYS A 62 12.006 2.255 -23.582 1.00 0.00 C ATOM 975 C LYS A 62 10.507 2.022 -23.731 1.00 0.00 C ATOM 976 O LYS A 62 10.034 0.888 -23.648 1.00 0.00 O ATOM 977 CB LYS A 62 12.682 2.221 -24.955 1.00 0.00 C ATOM 978 CG LYS A 62 13.769 3.269 -25.125 1.00 0.00 C ATOM 979 CD LYS A 62 15.081 2.815 -24.505 1.00 0.00 C ATOM 980 CE LYS A 62 16.199 3.808 -24.780 1.00 0.00 C ATOM 981 NZ LYS A 62 16.366 4.779 -23.664 1.00 0.00 N ATOM 0 H LYS A 62 12.639 0.315 -23.095 1.00 0.00 H new ATOM 0 HA LYS A 62 12.158 3.237 -23.135 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.114 1.233 -25.113 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.926 2.366 -25.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.917 3.472 -26.186 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.451 4.203 -24.663 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.955 2.696 -23.429 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.354 1.838 -24.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.134 3.269 -24.935 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.986 4.348 -25.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.138 5.439 -23.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.483 5.312 -23.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.595 4.266 -22.789 1.00 0.00 H new ATOM 995 N LYS A 63 9.764 3.102 -23.954 1.00 0.00 N ATOM 996 CA LYS A 63 8.318 3.015 -24.114 1.00 0.00 C ATOM 997 C LYS A 63 7.801 4.134 -25.012 1.00 0.00 C ATOM 998 O LYS A 63 7.490 5.229 -24.540 1.00 0.00 O ATOM 999 CB LYS A 63 7.626 3.076 -22.752 1.00 0.00 C ATOM 1000 CG LYS A 63 7.816 1.821 -21.916 1.00 0.00 C ATOM 1001 CD LYS A 63 6.891 1.809 -20.709 1.00 0.00 C ATOM 1002 CE LYS A 63 6.457 0.397 -20.354 1.00 0.00 C ATOM 1003 NZ LYS A 63 7.619 -0.475 -20.021 1.00 0.00 N ATOM 0 H LYS A 63 10.140 4.047 -24.028 1.00 0.00 H new ATOM 0 HA LYS A 63 8.088 2.060 -24.586 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.008 3.933 -22.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.560 3.244 -22.903 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.625 0.941 -22.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.852 1.758 -21.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.398 2.260 -19.856 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.012 2.419 -20.917 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.773 0.430 -19.506 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.907 -0.035 -21.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.283 -1.438 -19.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.276 -0.500 -20.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.109 -0.096 -19.186 1.00 0.00 H new ATOM 1017 N THR A 64 7.711 3.855 -26.307 1.00 0.00 N ATOM 1018 CA THR A 64 7.231 4.837 -27.270 1.00 0.00 C ATOM 1019 C THR A 64 5.707 4.825 -27.348 1.00 0.00 C ATOM 1020 O THR A 64 5.125 4.190 -28.228 1.00 0.00 O ATOM 1021 CB THR A 64 7.827 4.562 -28.652 1.00 0.00 C ATOM 1022 OG1 THR A 64 8.199 3.202 -28.776 1.00 0.00 O ATOM 1023 CG2 THR A 64 9.050 5.402 -28.955 1.00 0.00 C ATOM 0 H THR A 64 7.965 2.955 -26.714 1.00 0.00 H new ATOM 0 HA THR A 64 7.551 5.823 -26.934 1.00 0.00 H new ATOM 0 HB THR A 64 7.042 4.823 -29.362 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.576 3.046 -29.667 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.422 5.157 -29.950 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.784 6.458 -28.917 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.825 5.196 -28.217 1.00 0.00 H new ATOM 1031 N THR A 65 5.066 5.530 -26.420 1.00 0.00 N ATOM 1032 CA THR A 65 3.611 5.601 -26.384 1.00 0.00 C ATOM 1033 C THR A 65 3.138 7.050 -26.318 1.00 0.00 C ATOM 1034 O THR A 65 3.881 7.936 -25.897 1.00 0.00 O ATOM 1035 CB THR A 65 3.073 4.821 -25.183 1.00 0.00 C ATOM 1036 OG1 THR A 65 3.925 4.978 -24.061 1.00 0.00 O ATOM 1037 CG2 THR A 65 2.929 3.338 -25.447 1.00 0.00 C ATOM 0 H THR A 65 5.532 6.060 -25.684 1.00 0.00 H new ATOM 0 HA THR A 65 3.227 5.155 -27.301 1.00 0.00 H new ATOM 0 HB THR A 65 2.084 5.236 -24.989 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.564 4.473 -23.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.543 2.845 -24.555 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.238 3.181 -26.275 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.902 2.918 -25.701 1.00 0.00 H new ATOM 1045 N ALA A 66 1.898 7.282 -26.735 1.00 0.00 N ATOM 1046 CA ALA A 66 1.326 8.623 -26.724 1.00 0.00 C ATOM 1047 C ALA A 66 0.960 9.050 -25.307 1.00 0.00 C ATOM 1048 O ALA A 66 1.325 8.326 -24.357 1.00 0.00 O ATOM 1049 CB ALA A 66 0.106 8.684 -27.629 1.00 0.00 C ATOM 1050 OXT ALA A 66 0.309 10.106 -25.158 1.00 0.00 O ATOM 0 H ALA A 66 1.270 6.559 -27.085 1.00 0.00 H new ATOM 0 HA ALA A 66 2.078 9.316 -27.102 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.311 9.691 -27.611 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.396 8.430 -28.648 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.644 7.975 -27.278 1.00 0.00 H new TER 1056 ALA A 66