USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 474 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 19 HIS :FLIP no HE2:sc= -2.93 F(o=-7.7,f=-5.6) USER MOD Set 1.2: A 21 SER OG : rot -150:sc= -1.75 USER MOD Set 1.3: A 22 LYS NZ :NH3+ 148:sc= -0.965 (180deg=-2.32) USER MOD Single : A 1 GLU N :NH3+ 149:sc= -0.687 (180deg=-2.02!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.894! X(o=-0.89!,f=-0.66) USER MOD Single : A 6 HIS : no HE2:sc= -0.64 X(o=-0.64,f=-0.89) USER MOD Single : A 8 TYR OH : rot 48:sc= -4.92! USER MOD Single : A 11 SER OG : rot 81:sc= -3.21! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.1 K(o=-2.1,f=-6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.101 F(o=-1.4,f=0.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -4.22! X(o=-4.2!,f=-4.2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc=-0.00451 K(o=-0.0045,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= -6.49! C(o=-6.5!,f=-7.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.67! C(o=-4.7!,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 41 GLN : amide:sc= -3.95! C(o=-4!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 45:sc= 0.231 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.197 F(o=-0.85,f=-0.2) USER MOD Single : A 56 THR OG1 : rot 42:sc= -0.633! USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 0.0496 (180deg=-0.707) USER MOD Single : A 60 SER OG : rot 180:sc= -0.478 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.09! C(o=-3.1!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.406 8.721 -2.994 1.00 0.00 N ATOM 2 CA GLU A 1 13.597 8.210 -3.652 1.00 0.00 C ATOM 3 C GLU A 1 13.300 6.866 -4.320 1.00 0.00 C ATOM 4 O GLU A 1 13.531 6.699 -5.516 1.00 0.00 O ATOM 5 CB GLU A 1 14.759 8.086 -2.664 1.00 0.00 C ATOM 6 CG GLU A 1 14.292 7.470 -1.344 1.00 0.00 C ATOM 7 CD GLU A 1 14.851 6.056 -1.172 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.680 5.209 -2.062 1.00 0.00 O ATOM 9 OE2 GLU A 1 15.483 5.850 -0.066 1.00 0.00 O ATOM 0 H1 GLU A 1 12.682 9.281 -2.162 1.00 0.00 H new ATOM 0 H2 GLU A 1 11.875 9.323 -3.656 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.807 7.926 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 1 13.894 8.920 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.546 7.470 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.190 9.070 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.614 8.096 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.203 7.440 -1.317 1.00 0.00 H new ATOM 17 N GLY A 2 12.791 5.943 -3.518 1.00 0.00 N ATOM 18 CA GLY A 2 12.460 4.619 -4.016 1.00 0.00 C ATOM 19 C GLY A 2 11.441 4.700 -5.155 1.00 0.00 C ATOM 20 O GLY A 2 11.362 5.712 -5.850 1.00 0.00 O ATOM 0 H GLY A 2 12.600 6.086 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.364 4.122 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.057 4.012 -3.205 1.00 0.00 H new ATOM 24 N THR A 3 10.687 3.622 -5.311 1.00 0.00 N ATOM 25 CA THR A 3 9.678 3.559 -6.353 1.00 0.00 C ATOM 26 C THR A 3 8.291 3.353 -5.741 1.00 0.00 C ATOM 27 O THR A 3 7.975 2.265 -5.261 1.00 0.00 O ATOM 28 CB THR A 3 10.079 2.455 -7.334 1.00 0.00 C ATOM 29 OG1 THR A 3 11.416 2.784 -7.699 1.00 0.00 O ATOM 30 CG2 THR A 3 9.303 2.531 -8.650 1.00 0.00 C ATOM 0 H THR A 3 10.755 2.785 -4.732 1.00 0.00 H new ATOM 0 HA THR A 3 9.620 4.498 -6.904 1.00 0.00 H new ATOM 0 HB THR A 3 9.915 1.482 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.755 2.118 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.626 1.726 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.236 2.431 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.493 3.491 -9.130 1.00 0.00 H new ATOM 38 N TRP A 4 7.500 4.416 -5.777 1.00 0.00 N ATOM 39 CA TRP A 4 6.154 4.366 -5.231 1.00 0.00 C ATOM 40 C TRP A 4 5.173 4.263 -6.400 1.00 0.00 C ATOM 41 O TRP A 4 5.346 4.928 -7.421 1.00 0.00 O ATOM 42 CB TRP A 4 5.884 5.570 -4.327 1.00 0.00 C ATOM 43 CG TRP A 4 4.647 5.417 -3.440 1.00 0.00 C ATOM 44 CD1 TRP A 4 4.233 4.326 -2.782 1.00 0.00 C ATOM 45 CD2 TRP A 4 3.674 6.440 -3.137 1.00 0.00 C ATOM 46 NE1 TRP A 4 3.070 4.568 -2.081 1.00 0.00 N ATOM 47 CE2 TRP A 4 2.719 5.895 -2.303 1.00 0.00 C ATOM 48 CE3 TRP A 4 3.604 7.781 -3.553 1.00 0.00 C ATOM 49 CZ2 TRP A 4 1.625 6.619 -1.815 1.00 0.00 C ATOM 50 CZ3 TRP A 4 2.504 8.491 -3.056 1.00 0.00 C ATOM 51 CH2 TRP A 4 1.534 7.957 -2.217 1.00 0.00 C ATOM 0 H TRP A 4 7.765 5.317 -6.176 1.00 0.00 H new ATOM 0 HA TRP A 4 6.028 3.491 -4.594 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.755 5.738 -3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.766 6.458 -4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.746 3.376 -2.798 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.561 3.897 -1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.340 8.228 -4.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.890 6.170 -1.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.403 9.527 -3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.714 8.571 -1.876 1.00 0.00 H new ATOM 62 N GLN A 5 4.164 3.425 -6.213 1.00 0.00 N ATOM 63 CA GLN A 5 3.155 3.227 -7.240 1.00 0.00 C ATOM 64 C GLN A 5 1.783 3.003 -6.600 1.00 0.00 C ATOM 65 O GLN A 5 1.348 1.864 -6.440 1.00 0.00 O ATOM 66 CB GLN A 5 3.529 2.061 -8.157 1.00 0.00 C ATOM 67 CG GLN A 5 4.002 2.567 -9.521 1.00 0.00 C ATOM 68 CD GLN A 5 3.147 3.742 -9.997 1.00 0.00 C ATOM 69 OE1 GLN A 5 2.021 3.585 -10.441 1.00 0.00 O ATOM 70 NE2 GLN A 5 3.742 4.926 -9.881 1.00 0.00 N ATOM 0 H GLN A 5 4.023 2.875 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 5 3.106 4.127 -7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.316 1.466 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.668 1.405 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.046 2.875 -9.457 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.953 1.758 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.687 4.987 -9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.254 5.773 -10.172 1.00 0.00 H new ATOM 79 N HIS A 6 1.141 4.108 -6.252 1.00 0.00 N ATOM 80 CA HIS A 6 -0.172 4.047 -5.633 1.00 0.00 C ATOM 81 C HIS A 6 -1.253 4.185 -6.708 1.00 0.00 C ATOM 82 O HIS A 6 -1.185 5.079 -7.550 1.00 0.00 O ATOM 83 CB HIS A 6 -0.300 5.095 -4.526 1.00 0.00 C ATOM 84 CG HIS A 6 -1.275 6.205 -4.840 1.00 0.00 C ATOM 85 ND1 HIS A 6 -2.492 6.338 -4.195 1.00 0.00 N ATOM 86 CD2 HIS A 6 -1.200 7.231 -5.736 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.113 7.399 -4.689 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.311 7.951 -5.644 1.00 0.00 N ATOM 0 H HIS A 6 1.506 5.051 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.307 3.078 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.612 4.601 -3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.681 5.530 -4.337 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.850 5.724 -3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.376 7.425 -6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.084 7.763 -4.388 1.00 0.00 H new ATOM 96 N GLY A 7 -2.224 3.286 -6.643 1.00 0.00 N ATOM 97 CA GLY A 7 -3.317 3.296 -7.600 1.00 0.00 C ATOM 98 C GLY A 7 -4.650 2.989 -6.914 1.00 0.00 C ATOM 99 O GLY A 7 -4.749 2.893 -5.693 1.00 0.00 O ATOM 0 H GLY A 7 -2.277 2.546 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.370 4.270 -8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.128 2.560 -8.381 1.00 0.00 H new ATOM 103 N TYR A 8 -5.687 2.834 -7.740 1.00 0.00 N ATOM 104 CA TYR A 8 -7.018 2.541 -7.246 1.00 0.00 C ATOM 105 C TYR A 8 -7.836 1.867 -8.338 1.00 0.00 C ATOM 106 O TYR A 8 -8.261 2.549 -9.270 1.00 0.00 O ATOM 107 CB TYR A 8 -7.686 3.835 -6.790 1.00 0.00 C ATOM 108 CG TYR A 8 -8.513 3.677 -5.536 1.00 0.00 C ATOM 109 CD1 TYR A 8 -9.365 2.575 -5.394 1.00 0.00 C ATOM 110 CD2 TYR A 8 -8.427 4.632 -4.516 1.00 0.00 C ATOM 111 CE1 TYR A 8 -10.132 2.429 -4.232 1.00 0.00 C ATOM 112 CE2 TYR A 8 -9.194 4.486 -3.355 1.00 0.00 C ATOM 113 CZ TYR A 8 -10.047 3.384 -3.212 1.00 0.00 C ATOM 114 OH TYR A 8 -10.794 3.242 -2.080 1.00 0.00 O ATOM 0 H TYR A 8 -5.622 2.908 -8.755 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.954 1.862 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.918 4.589 -6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.324 4.207 -7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.430 1.838 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.769 5.481 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.790 1.579 -4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.128 5.223 -2.569 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.703 2.327 -1.741 1.00 0.00 H new ATOM 124 N GLY A 9 -8.041 0.565 -8.208 1.00 0.00 N ATOM 125 CA GLY A 9 -8.809 -0.175 -9.195 1.00 0.00 C ATOM 126 C GLY A 9 -10.311 0.043 -8.997 1.00 0.00 C ATOM 127 O GLY A 9 -11.081 -0.915 -8.960 1.00 0.00 O ATOM 0 H GLY A 9 -7.688 0.003 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.521 0.142 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.579 -1.238 -9.118 1.00 0.00 H new ATOM 131 N VAL A 10 -10.681 1.309 -8.874 1.00 0.00 N ATOM 132 CA VAL A 10 -12.077 1.665 -8.679 1.00 0.00 C ATOM 133 C VAL A 10 -12.822 0.475 -8.072 1.00 0.00 C ATOM 134 O VAL A 10 -13.640 -0.157 -8.740 1.00 0.00 O ATOM 135 CB VAL A 10 -12.684 2.140 -10.001 1.00 0.00 C ATOM 136 CG1 VAL A 10 -12.149 1.320 -11.177 1.00 0.00 C ATOM 137 CG2 VAL A 10 -14.213 2.091 -9.950 1.00 0.00 C ATOM 0 H VAL A 10 -10.039 2.101 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.166 2.495 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.386 3.177 -10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.597 1.678 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.066 1.427 -11.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.403 0.270 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.620 2.433 -10.901 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.538 1.067 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.571 2.737 -9.149 1.00 0.00 H new ATOM 147 N SER A 11 -12.513 0.204 -6.812 1.00 0.00 N ATOM 148 CA SER A 11 -13.143 -0.899 -6.108 1.00 0.00 C ATOM 149 C SER A 11 -12.248 -1.365 -4.958 1.00 0.00 C ATOM 150 O SER A 11 -12.740 -1.724 -3.889 1.00 0.00 O ATOM 151 CB SER A 11 -13.437 -2.063 -7.057 1.00 0.00 C ATOM 152 OG SER A 11 -14.812 -2.114 -7.429 1.00 0.00 O ATOM 0 H SER A 11 -11.834 0.730 -6.261 1.00 0.00 H new ATOM 0 HA SER A 11 -14.092 -0.548 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.823 -1.965 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.156 -3.001 -6.578 1.00 0.00 H new ATOM 0 HG SER A 11 -14.979 -1.474 -8.152 1.00 0.00 H new ATOM 158 N SER A 12 -10.948 -1.345 -5.216 1.00 0.00 N ATOM 159 CA SER A 12 -9.980 -1.762 -4.216 1.00 0.00 C ATOM 160 C SER A 12 -8.818 -0.767 -4.167 1.00 0.00 C ATOM 161 O SER A 12 -8.734 0.135 -4.998 1.00 0.00 O ATOM 162 CB SER A 12 -9.460 -3.171 -4.506 1.00 0.00 C ATOM 163 OG SER A 12 -9.862 -3.634 -5.793 1.00 0.00 O ATOM 0 H SER A 12 -10.543 -1.046 -6.103 1.00 0.00 H new ATOM 0 HA SER A 12 -10.477 -1.780 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.372 -3.176 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.827 -3.857 -3.743 1.00 0.00 H new ATOM 0 HG SER A 12 -9.509 -4.536 -5.941 1.00 0.00 H new ATOM 169 N ALA A 13 -7.952 -0.966 -3.185 1.00 0.00 N ATOM 170 CA ALA A 13 -6.799 -0.098 -3.016 1.00 0.00 C ATOM 171 C ALA A 13 -5.533 -0.952 -2.924 1.00 0.00 C ATOM 172 O ALA A 13 -5.447 -1.915 -2.166 1.00 0.00 O ATOM 173 CB ALA A 13 -6.999 0.782 -1.781 1.00 0.00 C ATOM 0 H ALA A 13 -8.025 -1.716 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.688 0.565 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.134 1.433 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.895 1.390 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.111 0.151 -0.899 1.00 0.00 H new ATOM 179 N TYR A 14 -4.536 -0.570 -3.727 1.00 0.00 N ATOM 180 CA TYR A 14 -3.271 -1.276 -3.760 1.00 0.00 C ATOM 181 C TYR A 14 -2.123 -0.282 -3.649 1.00 0.00 C ATOM 182 O TYR A 14 -2.259 0.840 -4.134 1.00 0.00 O ATOM 183 CB TYR A 14 -3.170 -2.076 -5.056 1.00 0.00 C ATOM 184 CG TYR A 14 -2.833 -1.231 -6.261 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.560 -0.661 -6.382 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.793 -1.018 -7.257 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.247 0.121 -7.500 1.00 0.00 C ATOM 188 CE2 TYR A 14 -3.480 -0.235 -8.375 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.206 0.334 -8.497 1.00 0.00 C ATOM 190 OH TYR A 14 -1.901 1.096 -9.586 1.00 0.00 O ATOM 0 H TYR A 14 -4.590 0.227 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.212 -1.965 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.409 -2.848 -4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.117 -2.586 -5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.820 -0.825 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.775 -1.457 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.265 0.560 -7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.221 -0.070 -9.143 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.678 1.142 -10.181 1.00 0.00 H new ATOM 200 N SER A 15 -1.033 -0.703 -3.025 1.00 0.00 N ATOM 201 CA SER A 15 0.120 0.167 -2.864 1.00 0.00 C ATOM 202 C SER A 15 1.409 -0.655 -2.933 1.00 0.00 C ATOM 203 O SER A 15 1.631 -1.539 -2.107 1.00 0.00 O ATOM 204 CB SER A 15 0.051 0.935 -1.543 1.00 0.00 C ATOM 205 OG SER A 15 0.399 2.307 -1.705 1.00 0.00 O ATOM 0 H SER A 15 -0.924 -1.635 -2.625 1.00 0.00 H new ATOM 0 HA SER A 15 0.116 0.894 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.957 0.862 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.723 0.473 -0.820 1.00 0.00 H new ATOM 0 HG SER A 15 0.341 2.763 -0.840 1.00 0.00 H new ATOM 211 N ASN A 16 2.225 -0.334 -3.926 1.00 0.00 N ATOM 212 CA ASN A 16 3.486 -1.032 -4.114 1.00 0.00 C ATOM 213 C ASN A 16 4.638 -0.030 -4.016 1.00 0.00 C ATOM 214 O ASN A 16 4.718 0.948 -4.756 1.00 0.00 O ATOM 215 CB ASN A 16 3.550 -1.692 -5.493 1.00 0.00 C ATOM 216 CG ASN A 16 2.233 -2.396 -5.826 1.00 0.00 C ATOM 217 OD1 ASN A 16 1.509 -2.857 -4.958 1.00 0.00 O ATOM 218 ND2 ASN A 16 1.964 -2.454 -7.127 1.00 0.00 N ATOM 0 H ASN A 16 2.038 0.400 -4.609 1.00 0.00 H new ATOM 0 HA ASN A 16 3.565 -1.799 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.766 -0.939 -6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.368 -2.412 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.108 -2.905 -7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.613 -2.048 -7.801 1.00 0.00 H new ATOM 225 N TYR A 17 5.541 -0.301 -3.070 1.00 0.00 N ATOM 226 CA TYR A 17 6.691 0.552 -2.848 1.00 0.00 C ATOM 227 C TYR A 17 7.955 -0.293 -2.781 1.00 0.00 C ATOM 228 O TYR A 17 7.978 -1.271 -2.037 1.00 0.00 O ATOM 229 CB TYR A 17 6.497 1.338 -1.555 1.00 0.00 C ATOM 230 CG TYR A 17 7.115 2.716 -1.588 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.431 2.882 -2.036 1.00 0.00 C ATOM 232 CD2 TYR A 17 6.372 3.827 -1.171 1.00 0.00 C ATOM 233 CE1 TYR A 17 9.004 4.159 -2.068 1.00 0.00 C ATOM 234 CE2 TYR A 17 6.945 5.104 -1.202 1.00 0.00 C ATOM 235 CZ TYR A 17 8.261 5.270 -1.650 1.00 0.00 C ATOM 236 OH TYR A 17 8.819 6.514 -1.681 1.00 0.00 O ATOM 0 H TYR A 17 5.490 -1.108 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 17 6.792 1.256 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.430 1.432 -1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.929 0.774 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.004 2.025 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.357 3.699 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.019 4.287 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.372 5.961 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 17 8.168 7.172 -1.359 1.00 0.00 H new ATOM 246 N HIS A 18 8.967 0.092 -3.546 1.00 0.00 N ATOM 247 CA HIS A 18 10.219 -0.646 -3.557 1.00 0.00 C ATOM 248 C HIS A 18 11.268 0.113 -2.743 1.00 0.00 C ATOM 249 O HIS A 18 11.208 1.337 -2.633 1.00 0.00 O ATOM 250 CB HIS A 18 10.671 -0.927 -4.992 1.00 0.00 C ATOM 251 CG HIS A 18 11.936 -1.746 -5.087 1.00 0.00 C ATOM 252 ND1 HIS A 18 12.135 -3.092 -4.998 1.00 0.00 N flip ATOM 253 CD2 HIS A 18 13.181 -1.180 -5.298 1.00 0.00 C flip ATOM 254 CE1 HIS A 18 13.431 -3.336 -5.147 1.00 0.00 C flip ATOM 255 NE2 HIS A 18 14.081 -2.151 -5.333 1.00 0.00 N flip ATOM 0 H HIS A 18 8.945 0.905 -4.162 1.00 0.00 H new ATOM 0 HA HIS A 18 10.077 -1.618 -3.086 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.872 -1.449 -5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.825 0.022 -5.506 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.410 -3.793 -4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 18 13.384 -0.126 -5.414 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.894 -4.311 -5.125 1.00 0.00 H new ATOM 263 N HIS A 19 12.206 -0.645 -2.193 1.00 0.00 N ATOM 264 CA HIS A 19 13.267 -0.059 -1.392 1.00 0.00 C ATOM 265 C HIS A 19 14.421 -1.055 -1.262 1.00 0.00 C ATOM 266 O HIS A 19 14.204 -2.224 -0.947 1.00 0.00 O ATOM 267 CB HIS A 19 12.730 0.407 -0.037 1.00 0.00 C ATOM 268 CG HIS A 19 13.154 1.805 0.343 1.00 0.00 C ATOM 269 ND1 HIS A 19 12.481 2.990 0.277 1.00 0.00 N flip ATOM 270 CD2 HIS A 19 14.405 2.096 0.859 1.00 0.00 C flip ATOM 271 CE1 HIS A 19 13.276 3.951 0.729 1.00 0.00 C flip ATOM 272 NE2 HIS A 19 14.470 3.399 1.090 1.00 0.00 N flip ATOM 0 H HIS A 19 12.253 -1.660 -2.287 1.00 0.00 H new ATOM 0 HA HIS A 19 13.655 0.830 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.641 0.360 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.067 -0.286 0.734 1.00 0.00 H new ATOM 0 HD1 HIS A 19 11.527 3.116 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.194 1.382 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.020 4.998 0.800 1.00 0.00 H new ATOM 280 N GLY A 20 15.623 -0.555 -1.511 1.00 0.00 N ATOM 281 CA GLY A 20 16.811 -1.387 -1.426 1.00 0.00 C ATOM 282 C GLY A 20 17.925 -0.674 -0.656 1.00 0.00 C ATOM 283 O GLY A 20 19.098 -0.786 -1.008 1.00 0.00 O ATOM 0 H GLY A 20 15.799 0.415 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.566 -2.327 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.158 -1.635 -2.429 1.00 0.00 H new ATOM 287 N SER A 21 17.518 0.044 0.380 1.00 0.00 N ATOM 288 CA SER A 21 18.467 0.775 1.203 1.00 0.00 C ATOM 289 C SER A 21 18.192 0.507 2.684 1.00 0.00 C ATOM 290 O SER A 21 19.116 0.251 3.454 1.00 0.00 O ATOM 291 CB SER A 21 18.403 2.276 0.915 1.00 0.00 C ATOM 292 OG SER A 21 17.078 2.787 1.033 1.00 0.00 O ATOM 0 H SER A 21 16.544 0.135 0.669 1.00 0.00 H new ATOM 0 HA SER A 21 19.471 0.427 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 21 19.059 2.806 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 21 18.777 2.468 -0.090 1.00 0.00 H new ATOM 0 HG SER A 21 16.965 3.547 0.424 1.00 0.00 H new ATOM 298 N LYS A 22 16.917 0.574 3.037 1.00 0.00 N ATOM 299 CA LYS A 22 16.508 0.342 4.412 1.00 0.00 C ATOM 300 C LYS A 22 15.101 -0.259 4.427 1.00 0.00 C ATOM 301 O LYS A 22 14.335 -0.079 3.482 1.00 0.00 O ATOM 302 CB LYS A 22 16.636 1.627 5.234 1.00 0.00 C ATOM 303 CG LYS A 22 15.927 2.793 4.542 1.00 0.00 C ATOM 304 CD LYS A 22 15.407 3.803 5.567 1.00 0.00 C ATOM 305 CE LYS A 22 15.159 5.165 4.916 1.00 0.00 C ATOM 306 NZ LYS A 22 14.695 4.996 3.521 1.00 0.00 N ATOM 0 H LYS A 22 16.153 0.786 2.395 1.00 0.00 H new ATOM 0 HA LYS A 22 17.170 -0.381 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.209 1.473 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.689 1.869 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.615 3.287 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.097 2.416 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.482 3.434 6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.129 3.909 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.415 5.718 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.076 5.754 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.047 5.771 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.513 5.011 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.198 4.087 3.428 1.00 0.00 H new ATOM 319 N THR A 23 14.804 -0.962 5.511 1.00 0.00 N ATOM 320 CA THR A 23 13.503 -1.591 5.661 1.00 0.00 C ATOM 321 C THR A 23 12.395 -0.640 5.205 1.00 0.00 C ATOM 322 O THR A 23 12.560 0.578 5.250 1.00 0.00 O ATOM 323 CB THR A 23 13.360 -2.039 7.117 1.00 0.00 C ATOM 324 OG1 THR A 23 14.405 -2.991 7.292 1.00 0.00 O ATOM 325 CG2 THR A 23 12.080 -2.841 7.359 1.00 0.00 C ATOM 0 H THR A 23 15.442 -1.109 6.293 1.00 0.00 H new ATOM 0 HA THR A 23 13.413 -2.472 5.025 1.00 0.00 H new ATOM 0 HB THR A 23 13.369 -1.165 7.768 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.386 -3.332 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.027 -3.135 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.214 -2.228 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.086 -3.733 6.732 1.00 0.00 H new ATOM 333 N HIS A 24 11.290 -1.232 4.777 1.00 0.00 N ATOM 334 CA HIS A 24 10.154 -0.453 4.313 1.00 0.00 C ATOM 335 C HIS A 24 8.869 -1.264 4.488 1.00 0.00 C ATOM 336 O HIS A 24 8.909 -2.493 4.542 1.00 0.00 O ATOM 337 CB HIS A 24 10.369 0.015 2.872 1.00 0.00 C ATOM 338 CG HIS A 24 10.542 -1.111 1.880 1.00 0.00 C ATOM 339 ND1 HIS A 24 11.598 -2.004 1.936 1.00 0.00 N ATOM 340 CD2 HIS A 24 9.782 -1.479 0.809 1.00 0.00 C ATOM 341 CE1 HIS A 24 11.470 -2.865 0.938 1.00 0.00 C ATOM 342 NE2 HIS A 24 10.344 -2.538 0.240 1.00 0.00 N ATOM 0 H HIS A 24 11.157 -2.243 4.742 1.00 0.00 H new ATOM 0 HA HIS A 24 10.057 0.450 4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.519 0.626 2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 24 11.250 0.656 2.836 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.876 -0.991 0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 24 12.140 -3.683 0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.992 -3.027 -0.583 1.00 0.00 H new ATOM 351 N SER A 25 7.760 -0.545 4.572 1.00 0.00 N ATOM 352 CA SER A 25 6.465 -1.182 4.740 1.00 0.00 C ATOM 353 C SER A 25 5.378 -0.346 4.061 1.00 0.00 C ATOM 354 O SER A 25 5.391 0.881 4.146 1.00 0.00 O ATOM 355 CB SER A 25 6.136 -1.380 6.221 1.00 0.00 C ATOM 356 OG SER A 25 5.704 -0.170 6.837 1.00 0.00 O ATOM 0 H SER A 25 7.731 0.474 4.527 1.00 0.00 H new ATOM 0 HA SER A 25 6.504 -2.165 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.358 -2.136 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.016 -1.758 6.741 1.00 0.00 H new ATOM 0 HG SER A 25 5.502 -0.338 7.781 1.00 0.00 H new ATOM 362 N ALA A 26 4.464 -1.044 3.404 1.00 0.00 N ATOM 363 CA ALA A 26 3.372 -0.381 2.711 1.00 0.00 C ATOM 364 C ALA A 26 2.046 -0.766 3.371 1.00 0.00 C ATOM 365 O ALA A 26 1.654 -1.932 3.349 1.00 0.00 O ATOM 366 CB ALA A 26 3.412 -0.747 1.226 1.00 0.00 C ATOM 0 H ALA A 26 4.457 -2.062 3.337 1.00 0.00 H new ATOM 0 HA ALA A 26 3.474 0.702 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.593 -0.250 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.362 -0.426 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.310 -1.826 1.114 1.00 0.00 H new ATOM 372 N THR A 27 1.393 0.235 3.941 1.00 0.00 N ATOM 373 CA THR A 27 0.119 0.015 4.606 1.00 0.00 C ATOM 374 C THR A 27 -1.007 0.719 3.847 1.00 0.00 C ATOM 375 O THR A 27 -0.855 1.864 3.424 1.00 0.00 O ATOM 376 CB THR A 27 0.257 0.481 6.057 1.00 0.00 C ATOM 377 OG1 THR A 27 1.530 -0.016 6.462 1.00 0.00 O ATOM 378 CG2 THR A 27 -0.731 -0.219 6.993 1.00 0.00 C ATOM 0 H THR A 27 1.721 1.201 3.957 1.00 0.00 H new ATOM 0 HA THR A 27 -0.147 -1.042 4.612 1.00 0.00 H new ATOM 0 HB THR A 27 0.104 1.559 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.701 0.242 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.591 0.148 8.010 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.750 -0.009 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.556 -1.295 6.968 1.00 0.00 H new ATOM 386 N VAL A 28 -2.113 0.004 3.696 1.00 0.00 N ATOM 387 CA VAL A 28 -3.264 0.545 2.995 1.00 0.00 C ATOM 388 C VAL A 28 -4.541 0.151 3.740 1.00 0.00 C ATOM 389 O VAL A 28 -4.775 -1.029 3.997 1.00 0.00 O ATOM 390 CB VAL A 28 -3.255 0.080 1.537 1.00 0.00 C ATOM 391 CG1 VAL A 28 -3.242 -1.448 1.449 1.00 0.00 C ATOM 392 CG2 VAL A 28 -4.442 0.663 0.768 1.00 0.00 C ATOM 0 H VAL A 28 -2.236 -0.946 4.048 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.222 1.634 2.975 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.341 0.450 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.236 -1.752 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.351 -1.833 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.130 -1.848 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.412 0.317 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.372 0.337 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.389 1.752 0.788 1.00 0.00 H new ATOM 402 N VAL A 29 -5.334 1.162 4.065 1.00 0.00 N ATOM 403 CA VAL A 29 -6.581 0.936 4.776 1.00 0.00 C ATOM 404 C VAL A 29 -7.755 1.282 3.859 1.00 0.00 C ATOM 405 O VAL A 29 -7.724 2.293 3.159 1.00 0.00 O ATOM 406 CB VAL A 29 -6.589 1.730 6.084 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.910 1.542 6.832 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.400 1.346 6.967 1.00 0.00 C ATOM 0 H VAL A 29 -5.137 2.139 3.849 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.680 -0.115 5.049 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.493 2.787 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.889 2.117 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.734 1.889 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.050 0.486 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.430 1.925 7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.451 0.283 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.471 1.556 6.437 1.00 0.00 H new ATOM 418 N ASN A 30 -8.764 0.424 3.893 1.00 0.00 N ATOM 419 CA ASN A 30 -9.947 0.626 3.074 1.00 0.00 C ATOM 420 C ASN A 30 -11.042 1.279 3.919 1.00 0.00 C ATOM 421 O ASN A 30 -11.634 0.632 4.782 1.00 0.00 O ATOM 422 CB ASN A 30 -10.486 -0.705 2.547 1.00 0.00 C ATOM 423 CG ASN A 30 -11.432 -0.484 1.364 1.00 0.00 C ATOM 424 OD1 ASN A 30 -11.470 0.573 0.756 1.00 0.00 O ATOM 425 ND2 ASN A 30 -12.190 -1.537 1.074 1.00 0.00 N ATOM 0 H ASN A 30 -8.787 -0.413 4.475 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.670 1.261 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.656 -1.341 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.012 -1.230 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.854 -1.490 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.107 -2.392 1.624 1.00 0.00 H new ATOM 432 N ASN A 31 -11.280 2.553 3.642 1.00 0.00 N ATOM 433 CA ASN A 31 -12.294 3.300 4.366 1.00 0.00 C ATOM 434 C ASN A 31 -13.618 3.226 3.603 1.00 0.00 C ATOM 435 O ASN A 31 -13.972 4.153 2.876 1.00 0.00 O ATOM 436 CB ASN A 31 -11.904 4.774 4.496 1.00 0.00 C ATOM 437 CG ASN A 31 -12.703 5.456 5.608 1.00 0.00 C ATOM 438 OD1 ASN A 31 -13.498 4.844 6.302 1.00 0.00 O ATOM 439 ND2 ASN A 31 -12.449 6.755 5.737 1.00 0.00 N ATOM 0 H ASN A 31 -10.788 3.087 2.926 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.389 2.863 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.838 4.855 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.081 5.286 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.932 7.301 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.771 7.206 5.122 1.00 0.00 H new ATOM 446 N ASN A 32 -14.314 2.115 3.796 1.00 0.00 N ATOM 447 CA ASN A 32 -15.591 1.908 3.135 1.00 0.00 C ATOM 448 C ASN A 32 -16.333 0.757 3.817 1.00 0.00 C ATOM 449 O ASN A 32 -17.436 0.942 4.329 1.00 0.00 O ATOM 450 CB ASN A 32 -15.396 1.538 1.663 1.00 0.00 C ATOM 451 CG ASN A 32 -16.617 0.795 1.118 1.00 0.00 C ATOM 452 OD1 ASN A 32 -16.510 -0.172 0.381 1.00 0.00 O ATOM 453 ND2 ASN A 32 -17.781 1.297 1.520 1.00 0.00 N ATOM 0 H ASN A 32 -14.018 1.349 4.401 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.159 2.836 3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.224 2.441 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.509 0.914 1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.654 0.870 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.800 2.109 2.137 1.00 0.00 H new ATOM 460 N THR A 33 -15.699 -0.405 3.802 1.00 0.00 N ATOM 461 CA THR A 33 -16.285 -1.586 4.413 1.00 0.00 C ATOM 462 C THR A 33 -15.545 -1.942 5.704 1.00 0.00 C ATOM 463 O THR A 33 -16.041 -2.726 6.511 1.00 0.00 O ATOM 464 CB THR A 33 -16.273 -2.711 3.375 1.00 0.00 C ATOM 465 OG1 THR A 33 -14.897 -3.067 3.266 1.00 0.00 O ATOM 466 CG2 THR A 33 -16.643 -2.219 1.974 1.00 0.00 C ATOM 0 H THR A 33 -14.784 -0.555 3.376 1.00 0.00 H new ATOM 0 HA THR A 33 -17.319 -1.407 4.707 1.00 0.00 H new ATOM 0 HB THR A 33 -16.968 -3.494 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.797 -3.792 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.619 -3.056 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.645 -1.790 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.929 -1.460 1.654 1.00 0.00 H new ATOM 474 N GLY A 34 -14.371 -1.349 5.858 1.00 0.00 N ATOM 475 CA GLY A 34 -13.557 -1.594 7.036 1.00 0.00 C ATOM 476 C GLY A 34 -12.470 -2.631 6.747 1.00 0.00 C ATOM 477 O GLY A 34 -12.417 -3.677 7.391 1.00 0.00 O ATOM 0 H GLY A 34 -13.964 -0.699 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.097 -0.662 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.189 -1.943 7.853 1.00 0.00 H new ATOM 481 N ARG A 35 -11.629 -2.304 5.776 1.00 0.00 N ATOM 482 CA ARG A 35 -10.547 -3.194 5.393 1.00 0.00 C ATOM 483 C ARG A 35 -9.195 -2.567 5.740 1.00 0.00 C ATOM 484 O ARG A 35 -9.103 -1.357 5.943 1.00 0.00 O ATOM 485 CB ARG A 35 -10.589 -3.500 3.894 1.00 0.00 C ATOM 486 CG ARG A 35 -10.494 -5.006 3.639 1.00 0.00 C ATOM 487 CD ARG A 35 -11.885 -5.633 3.530 1.00 0.00 C ATOM 488 NE ARG A 35 -12.169 -6.446 4.733 1.00 0.00 N ATOM 489 CZ ARG A 35 -13.186 -7.330 4.827 1.00 0.00 C ATOM 490 NH1 ARG A 35 -14.024 -7.522 3.787 1.00 0.00 N ATOM 491 NH2 ARG A 35 -13.347 -8.003 5.951 1.00 0.00 N ATOM 0 H ARG A 35 -11.676 -1.435 5.244 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.673 -4.125 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.514 -3.113 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.767 -2.990 3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.936 -5.188 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.940 -5.481 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.638 -4.852 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.943 -6.256 2.638 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.559 -6.332 5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.892 -6.998 2.922 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.790 -8.191 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.709 -7.852 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.110 -8.674 6.039 1.00 0.00 H new ATOM 504 N GLN A 36 -8.181 -3.417 5.797 1.00 0.00 N ATOM 505 CA GLN A 36 -6.839 -2.961 6.116 1.00 0.00 C ATOM 506 C GLN A 36 -5.813 -4.039 5.762 1.00 0.00 C ATOM 507 O GLN A 36 -6.056 -5.226 5.975 1.00 0.00 O ATOM 508 CB GLN A 36 -6.730 -2.565 7.590 1.00 0.00 C ATOM 509 CG GLN A 36 -6.237 -3.738 8.438 1.00 0.00 C ATOM 510 CD GLN A 36 -4.719 -3.894 8.328 1.00 0.00 C ATOM 511 OE1 GLN A 36 -4.037 -3.133 7.661 1.00 0.00 O ATOM 512 NE2 GLN A 36 -4.228 -4.919 9.019 1.00 0.00 N ATOM 0 H GLN A 36 -8.262 -4.420 5.628 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.627 -2.075 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.045 -1.723 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.702 -2.232 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.515 -3.580 9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.725 -4.657 8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.854 -5.518 9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.225 -5.106 9.011 1.00 0.00 H new ATOM 521 N GLY A 37 -4.688 -3.588 5.226 1.00 0.00 N ATOM 522 CA GLY A 37 -3.625 -4.500 4.840 1.00 0.00 C ATOM 523 C GLY A 37 -2.251 -3.857 5.043 1.00 0.00 C ATOM 524 O GLY A 37 -2.157 -2.680 5.385 1.00 0.00 O ATOM 0 H GLY A 37 -4.490 -2.603 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.693 -5.414 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.747 -4.785 3.795 1.00 0.00 H new ATOM 528 N LYS A 38 -1.220 -4.660 4.823 1.00 0.00 N ATOM 529 CA LYS A 38 0.144 -4.184 4.977 1.00 0.00 C ATOM 530 C LYS A 38 1.116 -5.295 4.573 1.00 0.00 C ATOM 531 O LYS A 38 0.875 -6.468 4.854 1.00 0.00 O ATOM 532 CB LYS A 38 0.370 -3.656 6.395 1.00 0.00 C ATOM 533 CG LYS A 38 0.425 -4.803 7.406 1.00 0.00 C ATOM 534 CD LYS A 38 1.734 -4.773 8.198 1.00 0.00 C ATOM 535 CE LYS A 38 1.479 -5.018 9.687 1.00 0.00 C ATOM 536 NZ LYS A 38 1.245 -6.456 9.943 1.00 0.00 N ATOM 0 H LYS A 38 -1.302 -5.636 4.540 1.00 0.00 H new ATOM 0 HA LYS A 38 0.330 -3.340 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.300 -3.089 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.432 -2.969 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.420 -4.730 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.332 -5.756 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.414 -5.532 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.223 -3.808 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.333 -4.673 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.615 -4.439 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.074 -6.605 10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.416 -6.775 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.081 -7.001 9.650 1.00 0.00 H new ATOM 549 N ASP A 39 2.193 -4.886 3.919 1.00 0.00 N ATOM 550 CA ASP A 39 3.202 -5.832 3.473 1.00 0.00 C ATOM 551 C ASP A 39 4.585 -5.335 3.899 1.00 0.00 C ATOM 552 O ASP A 39 5.308 -4.742 3.100 1.00 0.00 O ATOM 553 CB ASP A 39 3.196 -5.966 1.949 1.00 0.00 C ATOM 554 CG ASP A 39 2.020 -6.759 1.374 1.00 0.00 C ATOM 555 OD1 ASP A 39 0.850 -6.453 1.646 1.00 0.00 O ATOM 556 OD2 ASP A 39 2.349 -7.742 0.606 1.00 0.00 O ATOM 0 H ASP A 39 2.389 -3.912 3.687 1.00 0.00 H new ATOM 0 HA ASP A 39 2.978 -6.800 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.190 -4.968 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.124 -6.445 1.638 1.00 0.00 H new ATOM 562 N THR A 40 4.911 -5.595 5.156 1.00 0.00 N ATOM 563 CA THR A 40 6.194 -5.181 5.697 1.00 0.00 C ATOM 564 C THR A 40 7.304 -6.117 5.215 1.00 0.00 C ATOM 565 O THR A 40 7.144 -7.337 5.235 1.00 0.00 O ATOM 566 CB THR A 40 6.068 -5.122 7.221 1.00 0.00 C ATOM 567 OG1 THR A 40 5.027 -4.175 7.447 1.00 0.00 O ATOM 568 CG2 THR A 40 7.294 -4.493 7.886 1.00 0.00 C ATOM 0 H THR A 40 4.309 -6.087 5.816 1.00 0.00 H new ATOM 0 HA THR A 40 6.471 -4.189 5.341 1.00 0.00 H new ATOM 0 HB THR A 40 5.919 -6.129 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.878 -4.076 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.153 -4.476 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.180 -5.080 7.645 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.424 -3.474 7.521 1.00 0.00 H new ATOM 576 N GLN A 41 8.404 -5.512 4.794 1.00 0.00 N ATOM 577 CA GLN A 41 9.540 -6.276 4.307 1.00 0.00 C ATOM 578 C GLN A 41 10.847 -5.552 4.634 1.00 0.00 C ATOM 579 O GLN A 41 10.830 -4.414 5.102 1.00 0.00 O ATOM 580 CB GLN A 41 9.420 -6.540 2.805 1.00 0.00 C ATOM 581 CG GLN A 41 8.058 -7.146 2.461 1.00 0.00 C ATOM 582 CD GLN A 41 7.910 -8.543 3.069 1.00 0.00 C ATOM 583 OE1 GLN A 41 8.730 -8.998 3.850 1.00 0.00 O ATOM 584 NE2 GLN A 41 6.822 -9.194 2.669 1.00 0.00 N ATOM 0 H GLN A 41 8.533 -4.500 4.780 1.00 0.00 H new ATOM 0 HA GLN A 41 9.547 -7.242 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.556 -5.608 2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.214 -7.216 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.264 -6.498 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.944 -7.203 1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.177 -8.754 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.633 -10.133 3.018 1.00 0.00 H new ATOM 593 N ARG A 42 11.949 -6.240 4.375 1.00 0.00 N ATOM 594 CA ARG A 42 13.262 -5.676 4.636 1.00 0.00 C ATOM 595 C ARG A 42 13.762 -4.906 3.412 1.00 0.00 C ATOM 596 O ARG A 42 13.009 -4.679 2.467 1.00 0.00 O ATOM 597 CB ARG A 42 14.271 -6.771 4.988 1.00 0.00 C ATOM 598 CG ARG A 42 14.538 -7.679 3.786 1.00 0.00 C ATOM 599 CD ARG A 42 16.040 -7.852 3.552 1.00 0.00 C ATOM 600 NE ARG A 42 16.459 -9.218 3.939 1.00 0.00 N ATOM 601 CZ ARG A 42 16.843 -9.567 5.185 1.00 0.00 C ATOM 602 NH1 ARG A 42 16.865 -8.651 6.177 1.00 0.00 N ATOM 603 NH2 ARG A 42 17.197 -10.817 5.419 1.00 0.00 N ATOM 0 H ARG A 42 11.959 -7.183 3.987 1.00 0.00 H new ATOM 0 HA ARG A 42 13.169 -4.997 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.205 -6.317 5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.893 -7.365 5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.078 -8.653 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.074 -7.255 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.276 -7.674 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.594 -7.115 4.133 1.00 0.00 H new ATOM 0 HE ARG A 42 16.457 -9.941 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.590 -7.687 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.156 -8.923 7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.178 -11.502 4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.490 -11.097 6.355 1.00 0.00 H new ATOM 616 N ALA A 43 15.030 -4.526 3.469 1.00 0.00 N ATOM 617 CA ALA A 43 15.640 -3.786 2.377 1.00 0.00 C ATOM 618 C ALA A 43 15.847 -4.723 1.185 1.00 0.00 C ATOM 619 O ALA A 43 16.463 -5.779 1.321 1.00 0.00 O ATOM 620 CB ALA A 43 16.948 -3.154 2.856 1.00 0.00 C ATOM 0 H ALA A 43 15.652 -4.717 4.255 1.00 0.00 H new ATOM 0 HA ALA A 43 14.988 -2.976 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.405 -2.599 2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.742 -2.475 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.630 -3.937 3.189 1.00 0.00 H new ATOM 626 N GLY A 44 15.322 -4.302 0.044 1.00 0.00 N ATOM 627 CA GLY A 44 15.441 -5.090 -1.171 1.00 0.00 C ATOM 628 C GLY A 44 14.249 -6.036 -1.330 1.00 0.00 C ATOM 629 O GLY A 44 14.379 -7.243 -1.129 1.00 0.00 O ATOM 0 H GLY A 44 14.813 -3.425 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.501 -4.427 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.366 -5.666 -1.146 1.00 0.00 H new ATOM 633 N VAL A 45 13.116 -5.453 -1.690 1.00 0.00 N ATOM 634 CA VAL A 45 11.902 -6.229 -1.878 1.00 0.00 C ATOM 635 C VAL A 45 10.777 -5.302 -2.345 1.00 0.00 C ATOM 636 O VAL A 45 10.876 -4.084 -2.212 1.00 0.00 O ATOM 637 CB VAL A 45 11.559 -6.985 -0.593 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.744 -6.107 0.359 1.00 0.00 C ATOM 639 CG2 VAL A 45 10.821 -8.288 -0.904 1.00 0.00 C ATOM 0 H VAL A 45 13.013 -4.452 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 45 12.046 -6.982 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 45 12.494 -7.240 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.514 -6.668 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.321 -5.220 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.816 -5.807 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.589 -8.806 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.896 -8.064 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.451 -8.924 -1.526 1.00 0.00 H new ATOM 649 N TRP A 46 9.732 -5.916 -2.881 1.00 0.00 N ATOM 650 CA TRP A 46 8.590 -5.162 -3.369 1.00 0.00 C ATOM 651 C TRP A 46 7.431 -5.377 -2.393 1.00 0.00 C ATOM 652 O TRP A 46 6.904 -6.483 -2.284 1.00 0.00 O ATOM 653 CB TRP A 46 8.244 -5.558 -4.805 1.00 0.00 C ATOM 654 CG TRP A 46 8.917 -4.690 -5.870 1.00 0.00 C ATOM 655 CD1 TRP A 46 10.040 -4.946 -6.555 1.00 0.00 C ATOM 656 CD2 TRP A 46 8.461 -3.406 -6.347 1.00 0.00 C ATOM 657 NE1 TRP A 46 10.340 -3.926 -7.435 1.00 0.00 N ATOM 658 CE2 TRP A 46 9.350 -2.960 -7.304 1.00 0.00 C ATOM 659 CE3 TRP A 46 7.336 -2.647 -5.981 1.00 0.00 C ATOM 660 CZ2 TRP A 46 9.204 -1.740 -7.975 1.00 0.00 C ATOM 661 CZ3 TRP A 46 7.205 -1.430 -6.661 1.00 0.00 C ATOM 662 CH2 TRP A 46 8.090 -0.967 -7.627 1.00 0.00 C ATOM 0 H TRP A 46 9.653 -6.927 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 46 8.819 -4.097 -3.409 1.00 0.00 H new ATOM 0 HB2 TRP A 46 8.531 -6.597 -4.963 1.00 0.00 H new ATOM 0 HB3 TRP A 46 7.163 -5.503 -4.936 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.636 -5.839 -6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.141 -3.888 -8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.629 -2.976 -5.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.913 -1.413 -8.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 6.357 -0.808 -6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.919 -0.015 -8.107 1.00 0.00 H new ATOM 673 N ALA A 47 7.068 -4.301 -1.710 1.00 0.00 N ATOM 674 CA ALA A 47 5.981 -4.358 -0.747 1.00 0.00 C ATOM 675 C ALA A 47 4.674 -3.960 -1.436 1.00 0.00 C ATOM 676 O ALA A 47 4.424 -2.778 -1.667 1.00 0.00 O ATOM 677 CB ALA A 47 6.308 -3.458 0.446 1.00 0.00 C ATOM 0 H ALA A 47 7.507 -3.385 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 47 5.858 -5.372 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.493 -3.501 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.229 -3.800 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.435 -2.431 0.103 1.00 0.00 H new ATOM 683 N LYS A 48 3.874 -4.970 -1.745 1.00 0.00 N ATOM 684 CA LYS A 48 2.599 -4.741 -2.403 1.00 0.00 C ATOM 685 C LYS A 48 1.462 -5.110 -1.448 1.00 0.00 C ATOM 686 O LYS A 48 1.329 -6.268 -1.055 1.00 0.00 O ATOM 687 CB LYS A 48 2.544 -5.484 -3.740 1.00 0.00 C ATOM 688 CG LYS A 48 3.927 -5.542 -4.391 1.00 0.00 C ATOM 689 CD LYS A 48 3.838 -5.266 -5.893 1.00 0.00 C ATOM 690 CE LYS A 48 4.116 -6.535 -6.702 1.00 0.00 C ATOM 691 NZ LYS A 48 2.930 -6.908 -7.506 1.00 0.00 N ATOM 0 H LYS A 48 4.084 -5.949 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 48 2.481 -3.685 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.169 -6.495 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.843 -4.985 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.585 -4.810 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.371 -6.523 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.847 -4.884 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.554 -4.492 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.972 -6.375 -7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.378 -7.352 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.136 -7.771 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.122 -7.081 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.697 -6.134 -8.161 1.00 0.00 H new ATOM 704 N ALA A 49 0.673 -4.104 -1.101 1.00 0.00 N ATOM 705 CA ALA A 49 -0.447 -4.308 -0.198 1.00 0.00 C ATOM 706 C ALA A 49 -1.756 -4.173 -0.978 1.00 0.00 C ATOM 707 O ALA A 49 -1.799 -3.515 -2.017 1.00 0.00 O ATOM 708 CB ALA A 49 -0.355 -3.317 0.963 1.00 0.00 C ATOM 0 H ALA A 49 0.787 -3.145 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.419 -5.311 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.195 -3.471 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.579 -3.474 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.383 -2.299 0.575 1.00 0.00 H new ATOM 714 N THR A 50 -2.793 -4.805 -0.447 1.00 0.00 N ATOM 715 CA THR A 50 -4.100 -4.763 -1.081 1.00 0.00 C ATOM 716 C THR A 50 -5.205 -4.911 -0.033 1.00 0.00 C ATOM 717 O THR A 50 -5.028 -5.602 0.968 1.00 0.00 O ATOM 718 CB THR A 50 -4.137 -5.847 -2.160 1.00 0.00 C ATOM 719 OG1 THR A 50 -3.960 -5.130 -3.379 1.00 0.00 O ATOM 720 CG2 THR A 50 -5.520 -6.486 -2.301 1.00 0.00 C ATOM 0 H THR A 50 -2.754 -5.349 0.415 1.00 0.00 H new ATOM 0 HA THR A 50 -4.277 -3.800 -1.561 1.00 0.00 H new ATOM 0 HB THR A 50 -3.403 -6.618 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.235 -4.479 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.491 -7.248 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.807 -6.945 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.249 -5.721 -2.569 1.00 0.00 H new ATOM 728 N VAL A 51 -6.321 -4.249 -0.301 1.00 0.00 N ATOM 729 CA VAL A 51 -7.455 -4.297 0.606 1.00 0.00 C ATOM 730 C VAL A 51 -8.673 -3.667 -0.072 1.00 0.00 C ATOM 731 O VAL A 51 -8.540 -2.699 -0.820 1.00 0.00 O ATOM 732 CB VAL A 51 -7.094 -3.624 1.932 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.630 -4.655 2.962 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.035 -2.540 1.725 1.00 0.00 C ATOM 0 H VAL A 51 -6.464 -3.677 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.712 -5.330 0.841 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.993 -3.145 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.380 -4.150 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.429 -5.375 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.750 -5.176 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.796 -2.077 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.135 -2.987 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.419 -1.782 1.042 1.00 0.00 H new ATOM 744 N GLY A 52 -9.833 -4.241 0.213 1.00 0.00 N ATOM 745 CA GLY A 52 -11.073 -3.748 -0.361 1.00 0.00 C ATOM 746 C GLY A 52 -11.349 -4.402 -1.716 1.00 0.00 C ATOM 747 O GLY A 52 -10.627 -5.308 -2.131 1.00 0.00 O ATOM 0 H GLY A 52 -9.940 -5.043 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.899 -3.952 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.018 -2.666 -0.480 1.00 0.00 H new ATOM 751 N ARG A 53 -12.396 -3.919 -2.368 1.00 0.00 N ATOM 752 CA ARG A 53 -12.777 -4.447 -3.668 1.00 0.00 C ATOM 753 C ARG A 53 -14.300 -4.539 -3.778 1.00 0.00 C ATOM 754 O ARG A 53 -14.902 -5.503 -3.309 1.00 0.00 O ATOM 755 CB ARG A 53 -12.171 -5.832 -3.899 1.00 0.00 C ATOM 756 CG ARG A 53 -12.851 -6.539 -5.073 1.00 0.00 C ATOM 757 CD ARG A 53 -12.653 -8.054 -4.990 1.00 0.00 C ATOM 758 NE ARG A 53 -11.738 -8.505 -6.063 1.00 0.00 N ATOM 759 CZ ARG A 53 -11.727 -9.755 -6.573 1.00 0.00 C ATOM 760 NH1 ARG A 53 -12.583 -10.691 -6.110 1.00 0.00 N ATOM 761 NH2 ARG A 53 -10.867 -10.048 -7.530 1.00 0.00 N ATOM 0 H ARG A 53 -12.993 -3.168 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.395 -3.765 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.103 -5.737 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.277 -6.434 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.916 -6.307 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.443 -6.166 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.245 -8.323 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.614 -8.560 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.074 -7.829 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.244 -10.456 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.568 -11.633 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.224 -9.335 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.846 -10.988 -7.926 1.00 0.00 H new ATOM 774 N ASN A 54 -14.879 -3.523 -4.401 1.00 0.00 N ATOM 775 CA ASN A 54 -16.320 -3.477 -4.578 1.00 0.00 C ATOM 776 C ASN A 54 -16.662 -2.467 -5.676 1.00 0.00 C ATOM 777 O ASN A 54 -17.044 -2.851 -6.780 1.00 0.00 O ATOM 778 CB ASN A 54 -17.019 -3.032 -3.292 1.00 0.00 C ATOM 779 CG ASN A 54 -17.591 -4.233 -2.536 1.00 0.00 C ATOM 780 OD1 ASN A 54 -18.272 -5.080 -3.302 1.00 0.00 O flip ATOM 781 ND2 ASN A 54 -17.425 -4.380 -1.336 1.00 0.00 N flip ATOM 0 H ASN A 54 -14.376 -2.725 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 54 -16.659 -4.478 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.312 -2.500 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.821 -2.333 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.891 -3.691 -0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.820 -5.192 -0.862 1.00 0.00 H new ATOM 788 N LEU A 55 -16.514 -1.196 -5.333 1.00 0.00 N ATOM 789 CA LEU A 55 -16.803 -0.128 -6.276 1.00 0.00 C ATOM 790 C LEU A 55 -17.015 1.179 -5.510 1.00 0.00 C ATOM 791 O LEU A 55 -17.683 1.196 -4.477 1.00 0.00 O ATOM 792 CB LEU A 55 -17.980 -0.512 -7.175 1.00 0.00 C ATOM 793 CG LEU A 55 -18.746 0.651 -7.809 1.00 0.00 C ATOM 794 CD1 LEU A 55 -18.222 0.952 -9.214 1.00 0.00 C ATOM 795 CD2 LEU A 55 -20.252 0.382 -7.804 1.00 0.00 C ATOM 0 H LEU A 55 -16.198 -0.881 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -15.958 0.028 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.608 -1.154 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.681 -1.106 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.576 1.542 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -18.784 1.783 -9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.166 1.218 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.342 0.070 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.773 1.224 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.461 -0.525 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.596 0.255 -6.777 1.00 0.00 H new ATOM 807 N THR A 56 -16.433 2.242 -6.045 1.00 0.00 N ATOM 808 CA THR A 56 -16.549 3.551 -5.424 1.00 0.00 C ATOM 809 C THR A 56 -16.294 3.452 -3.919 1.00 0.00 C ATOM 810 O THR A 56 -17.193 3.103 -3.155 1.00 0.00 O ATOM 811 CB THR A 56 -17.927 4.118 -5.771 1.00 0.00 C ATOM 812 OG1 THR A 56 -18.823 3.042 -5.502 1.00 0.00 O ATOM 813 CG2 THR A 56 -18.094 4.376 -7.269 1.00 0.00 C ATOM 0 H THR A 56 -15.880 2.224 -6.902 1.00 0.00 H new ATOM 0 HA THR A 56 -15.793 4.238 -5.805 1.00 0.00 H new ATOM 0 HB THR A 56 -18.085 5.047 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.559 2.597 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.089 4.778 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 56 -17.343 5.093 -7.601 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.969 3.441 -7.815 1.00 0.00 H new ATOM 821 N GLU A 57 -15.064 3.764 -3.537 1.00 0.00 N ATOM 822 CA GLU A 57 -14.679 3.715 -2.137 1.00 0.00 C ATOM 823 C GLU A 57 -13.358 4.455 -1.923 1.00 0.00 C ATOM 824 O GLU A 57 -12.579 4.625 -2.860 1.00 0.00 O ATOM 825 CB GLU A 57 -14.584 2.269 -1.646 1.00 0.00 C ATOM 826 CG GLU A 57 -13.664 1.443 -2.548 1.00 0.00 C ATOM 827 CD GLU A 57 -14.425 0.906 -3.762 1.00 0.00 C ATOM 828 OE1 GLU A 57 -14.366 1.506 -4.845 1.00 0.00 O ATOM 829 OE2 GLU A 57 -15.095 -0.176 -3.551 1.00 0.00 O ATOM 0 H GLU A 57 -14.321 4.052 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.450 4.214 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.207 2.252 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.578 1.822 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.828 2.058 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.243 0.612 -1.981 1.00 0.00 H new ATOM 837 N LYS A 58 -13.145 4.875 -0.685 1.00 0.00 N ATOM 838 CA LYS A 58 -11.931 5.593 -0.336 1.00 0.00 C ATOM 839 C LYS A 58 -10.887 4.601 0.179 1.00 0.00 C ATOM 840 O LYS A 58 -11.180 3.419 0.350 1.00 0.00 O ATOM 841 CB LYS A 58 -12.242 6.725 0.646 1.00 0.00 C ATOM 842 CG LYS A 58 -13.090 7.811 -0.019 1.00 0.00 C ATOM 843 CD LYS A 58 -12.234 8.694 -0.929 1.00 0.00 C ATOM 844 CE LYS A 58 -12.764 8.677 -2.364 1.00 0.00 C ATOM 845 NZ LYS A 58 -11.904 7.834 -3.225 1.00 0.00 N ATOM 0 H LYS A 58 -13.793 4.732 0.090 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.506 6.074 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.770 6.325 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.312 7.159 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.888 7.349 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.567 8.425 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.230 9.716 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.202 8.345 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.785 8.296 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.798 9.693 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.029 8.112 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.908 7.962 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.169 6.835 -3.109 1.00 0.00 H new ATOM 858 N ALA A 59 -9.689 5.119 0.411 1.00 0.00 N ATOM 859 CA ALA A 59 -8.600 4.293 0.903 1.00 0.00 C ATOM 860 C ALA A 59 -7.485 5.193 1.439 1.00 0.00 C ATOM 861 O ALA A 59 -7.310 6.317 0.970 1.00 0.00 O ATOM 862 CB ALA A 59 -8.115 3.368 -0.216 1.00 0.00 C ATOM 0 H ALA A 59 -9.449 6.100 0.267 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.938 3.662 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.298 2.748 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.936 2.730 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.765 3.967 -1.057 1.00 0.00 H new ATOM 868 N SER A 60 -6.759 4.666 2.414 1.00 0.00 N ATOM 869 CA SER A 60 -5.666 5.408 3.019 1.00 0.00 C ATOM 870 C SER A 60 -4.343 4.680 2.778 1.00 0.00 C ATOM 871 O SER A 60 -4.155 3.556 3.242 1.00 0.00 O ATOM 872 CB SER A 60 -5.898 5.606 4.518 1.00 0.00 C ATOM 873 OG SER A 60 -7.043 4.894 4.980 1.00 0.00 O ATOM 0 H SER A 60 -6.906 3.734 2.800 1.00 0.00 H new ATOM 0 HA SER A 60 -5.622 6.392 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.018 5.273 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.022 6.668 4.728 1.00 0.00 H new ATOM 0 HG SER A 60 -7.156 5.045 5.942 1.00 0.00 H new ATOM 879 N PHE A 61 -3.459 5.349 2.053 1.00 0.00 N ATOM 880 CA PHE A 61 -2.158 4.780 1.745 1.00 0.00 C ATOM 881 C PHE A 61 -1.070 5.383 2.636 1.00 0.00 C ATOM 882 O PHE A 61 -0.928 6.597 2.762 1.00 0.00 O ATOM 883 CB PHE A 61 -1.854 5.123 0.285 1.00 0.00 C ATOM 884 CG PHE A 61 -2.984 4.772 -0.685 1.00 0.00 C ATOM 885 CD1 PHE A 61 -3.099 3.505 -1.165 1.00 0.00 C ATOM 886 CD2 PHE A 61 -3.873 5.728 -1.066 1.00 0.00 C ATOM 887 CE1 PHE A 61 -4.148 3.180 -2.066 1.00 0.00 C ATOM 888 CE2 PHE A 61 -4.922 5.403 -1.967 1.00 0.00 C ATOM 889 CZ PHE A 61 -5.037 4.136 -2.447 1.00 0.00 C ATOM 0 H PHE A 61 -3.618 6.281 1.670 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.173 3.704 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.642 6.190 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.950 4.596 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.393 2.746 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.781 6.734 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.240 2.174 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.628 6.162 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.835 3.889 -3.131 1.00 0.00 H new ATOM 899 N TYR A 62 -0.295 4.494 3.260 1.00 0.00 N ATOM 900 CA TYR A 62 0.780 4.904 4.141 1.00 0.00 C ATOM 901 C TYR A 62 2.058 4.160 3.778 1.00 0.00 C ATOM 902 O TYR A 62 2.011 3.130 3.108 1.00 0.00 O ATOM 903 CB TYR A 62 0.384 4.625 5.588 1.00 0.00 C ATOM 904 CG TYR A 62 -0.973 5.174 5.958 1.00 0.00 C ATOM 905 CD1 TYR A 62 -1.237 6.542 5.817 1.00 0.00 C ATOM 906 CD2 TYR A 62 -1.967 4.315 6.442 1.00 0.00 C ATOM 907 CE1 TYR A 62 -2.495 7.050 6.160 1.00 0.00 C ATOM 908 CE2 TYR A 62 -3.225 4.824 6.785 1.00 0.00 C ATOM 909 CZ TYR A 62 -3.489 6.192 6.645 1.00 0.00 C ATOM 910 OH TYR A 62 -4.715 6.687 6.980 1.00 0.00 O ATOM 0 H TYR A 62 -0.399 3.484 3.166 1.00 0.00 H new ATOM 0 HA TYR A 62 0.961 5.973 4.027 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.390 3.548 5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.134 5.055 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.470 7.205 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.763 3.260 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.699 8.105 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.992 4.161 7.158 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.287 5.957 7.298 1.00 0.00 H new ATOM 920 N TYR A 63 3.202 4.684 4.224 1.00 0.00 N ATOM 921 CA TYR A 63 4.483 4.068 3.943 1.00 0.00 C ATOM 922 C TYR A 63 5.528 4.582 4.923 1.00 0.00 C ATOM 923 O TYR A 63 5.222 5.485 5.700 1.00 0.00 O ATOM 924 CB TYR A 63 4.891 4.379 2.506 1.00 0.00 C ATOM 925 CG TYR A 63 4.490 5.762 2.051 1.00 0.00 C ATOM 926 CD1 TYR A 63 4.376 6.800 2.983 1.00 0.00 C ATOM 927 CD2 TYR A 63 4.231 6.006 0.697 1.00 0.00 C ATOM 928 CE1 TYR A 63 4.003 8.082 2.562 1.00 0.00 C ATOM 929 CE2 TYR A 63 3.859 7.288 0.275 1.00 0.00 C ATOM 930 CZ TYR A 63 3.745 8.326 1.208 1.00 0.00 C ATOM 931 OH TYR A 63 3.381 9.575 0.797 1.00 0.00 O ATOM 0 H TYR A 63 3.258 5.536 4.782 1.00 0.00 H new ATOM 0 HA TYR A 63 4.405 2.987 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.972 4.274 2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.441 3.642 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.576 6.612 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.318 5.205 -0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.914 8.882 3.282 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.660 7.476 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 63 3.241 9.572 -0.173 1.00 0.00 H new ATOM 941 N ASN A 64 6.722 4.009 4.872 1.00 0.00 N ATOM 942 CA ASN A 64 7.791 4.424 5.764 1.00 0.00 C ATOM 943 C ASN A 64 9.038 3.583 5.486 1.00 0.00 C ATOM 944 O ASN A 64 9.016 2.699 4.631 1.00 0.00 O ATOM 945 CB ASN A 64 7.397 4.217 7.228 1.00 0.00 C ATOM 946 CG ASN A 64 6.825 5.502 7.829 1.00 0.00 C ATOM 947 OD1 ASN A 64 6.763 6.542 7.193 1.00 0.00 O ATOM 948 ND2 ASN A 64 6.410 5.374 9.086 1.00 0.00 N ATOM 0 H ASN A 64 6.972 3.260 4.226 1.00 0.00 H new ATOM 0 HA ASN A 64 7.985 5.482 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.659 3.418 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.268 3.900 7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.011 6.175 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.491 4.475 9.561 1.00 0.00 H new ATOM 955 N PHE A 65 10.095 3.887 6.225 1.00 0.00 N ATOM 956 CA PHE A 65 11.349 3.170 6.068 1.00 0.00 C ATOM 957 C PHE A 65 12.204 3.278 7.332 1.00 0.00 C ATOM 958 O PHE A 65 12.126 4.270 8.056 1.00 0.00 O ATOM 959 CB PHE A 65 12.095 3.824 4.904 1.00 0.00 C ATOM 960 CG PHE A 65 11.217 4.715 4.023 1.00 0.00 C ATOM 961 CD1 PHE A 65 10.532 4.177 2.979 1.00 0.00 C ATOM 962 CD2 PHE A 65 11.122 6.047 4.285 1.00 0.00 C ATOM 963 CE1 PHE A 65 9.717 5.004 2.162 1.00 0.00 C ATOM 964 CE2 PHE A 65 10.307 6.874 3.468 1.00 0.00 C ATOM 965 CZ PHE A 65 9.622 6.336 2.424 1.00 0.00 C ATOM 0 H PHE A 65 10.109 4.620 6.934 1.00 0.00 H new ATOM 0 HA PHE A 65 11.153 2.114 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.916 4.420 5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.538 3.043 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.608 3.120 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 65 11.666 6.475 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.173 4.576 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.231 7.931 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.003 6.966 1.803 1.00 0.00 H new ATOM 975 N TRP A 66 13.001 2.244 7.559 1.00 0.00 N ATOM 976 CA TRP A 66 13.870 2.211 8.723 1.00 0.00 C ATOM 977 C TRP A 66 14.892 1.092 8.518 1.00 0.00 C ATOM 978 O TRP A 66 15.722 0.837 9.389 1.00 0.00 O ATOM 979 CB TRP A 66 13.057 2.049 10.009 1.00 0.00 C ATOM 980 CG TRP A 66 12.379 0.684 10.150 1.00 0.00 C ATOM 981 CD1 TRP A 66 12.905 -0.453 10.624 1.00 0.00 C ATOM 982 CD2 TRP A 66 11.020 0.358 9.791 1.00 0.00 C ATOM 983 NE1 TRP A 66 11.988 -1.484 10.597 1.00 0.00 N ATOM 984 CE2 TRP A 66 10.805 -0.975 10.075 1.00 0.00 C ATOM 985 CE3 TRP A 66 10.005 1.164 9.246 1.00 0.00 C ATOM 986 CZ2 TRP A 66 9.584 -1.620 9.847 1.00 0.00 C ATOM 987 CZ3 TRP A 66 8.790 0.504 9.023 1.00 0.00 C ATOM 988 CH2 TRP A 66 8.558 -0.838 9.304 1.00 0.00 C ATOM 0 H TRP A 66 13.063 1.423 6.957 1.00 0.00 H new ATOM 0 HA TRP A 66 14.404 3.155 8.833 1.00 0.00 H new ATOM 0 HB2 TRP A 66 13.714 2.207 10.864 1.00 0.00 H new ATOM 0 HB3 TRP A 66 12.295 2.827 10.045 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.919 -0.551 10.982 1.00 0.00 H new ATOM 0 HE1 TRP A 66 12.149 -2.443 10.904 1.00 0.00 H new ATOM 0 HE3 TRP A 66 10.151 2.209 9.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.441 -2.665 10.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 7.977 1.077 8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 66 7.591 -1.275 9.104 1.00 0.00 H new TER 999 TRP A 66