USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 43 ASN : amide:sc= -0.867! C(o=-0.54!,f=-9.6!) USER MOD Set 1.2: A 58 THR OG1 : rot -5:sc= 0.327 USER MOD Set 2.1: A 39 THR OG1 : rot 4:sc= 1 USER MOD Set 2.2: A 53 GLN : amide:sc= 0.881 K(o=1.9,f=-2!) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.585 K(o=-0.94,f=-9.8!) USER MOD Set 3.2: A 101 ASN : amide:sc= -0.352 K(o=-0.94,f=-5.8!) USER MOD Set 4.1: A 7 SER OG : rot 58:sc= -1.52! USER MOD Set 4.2: A 23 CYS SG : rot -60:sc= -0.867 USER MOD Set 4.3: A 99 ASN : amide:sc= -1.05 K(o=-3.4,f=-7.7!) USER MOD Set 5.1: A 14 ASN : amide:sc= -0.0497 K(o=1.2,f=0.59) USER MOD Set 5.2: A 18 THR OG1 : rot -71:sc= 1.21 USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 73 GLN : amide:sc= -0.0351 K(o=-0.035,f=-3.8!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -95:sc= 0.794 USER MOD Single : A 3 TYR OH : rot 90:sc=-0.00665 USER MOD Single : A 6 SER OG : rot -128:sc= 0.373 USER MOD Single : A 9 ASN : amide:sc= 0.0345 K(o=0.035,f=-2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot -103:sc= 1.2 USER MOD Single : A 33 SER OG : rot 60:sc= -0.165 USER MOD Single : A 44 ASN : amide:sc= 0.0395 X(o=0.039,f=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.498 K(o=0.5,f=-2.3!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 54 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.5) USER MOD Single : A 56 THR OG1 : rot 50:sc= 0.542 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.65 F(o=-2.4!,f=-1.6) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0646 (180deg=-0.395) USER MOD Single : A 83 CYS SG : rot -24:sc= 0.0407 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 88 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.9!) USER MOD Single : A 93 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.2) USER MOD Single : A 95 ASN :FLIP amide:sc= -3.39! C(o=-4.2!,f=-3.4!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0109 F(o=-1.1,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.398 12.498 -9.022 1.00 0.00 N ATOM 2 CA MET A 1 -1.298 12.140 -8.101 1.00 0.00 C ATOM 3 C MET A 1 -1.434 10.690 -7.642 1.00 0.00 C ATOM 4 O MET A 1 -0.890 9.781 -8.269 1.00 0.00 O ATOM 5 CB MET A 1 -1.280 13.094 -6.896 1.00 0.00 C ATOM 6 CG MET A 1 -0.177 12.807 -5.889 1.00 0.00 C ATOM 7 SD MET A 1 1.457 12.759 -6.651 1.00 0.00 S ATOM 8 CE MET A 1 2.487 12.471 -5.217 1.00 0.00 C ATOM 0 H1 MET A 1 -2.290 13.487 -9.324 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.369 11.876 -9.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.310 12.383 -8.535 1.00 0.00 H new ATOM 0 HA MET A 1 -0.352 12.240 -8.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.169 14.116 -7.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.243 13.038 -6.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.190 13.572 -5.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.375 11.853 -5.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.531 12.416 -5.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.360 13.289 -4.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.198 11.532 -4.744 1.00 0.00 H new ATOM 18 N SER A 2 -2.189 10.474 -6.569 1.00 0.00 N ATOM 19 CA SER A 2 -2.398 9.140 -6.025 1.00 0.00 C ATOM 20 C SER A 2 -3.681 9.119 -5.215 1.00 0.00 C ATOM 21 O SER A 2 -4.296 10.165 -5.011 1.00 0.00 O ATOM 22 CB SER A 2 -1.241 8.731 -5.107 1.00 0.00 C ATOM 23 OG SER A 2 0.020 9.047 -5.672 1.00 0.00 O ATOM 0 H SER A 2 -2.669 11.214 -6.057 1.00 0.00 H new ATOM 0 HA SER A 2 -2.456 8.441 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.345 9.235 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.293 7.660 -4.912 1.00 0.00 H new ATOM 0 HG SER A 2 0.377 8.261 -6.135 1.00 0.00 H new ATOM 29 N TYR A 3 -4.076 7.946 -4.745 1.00 0.00 N ATOM 30 CA TYR A 3 -5.275 7.819 -3.929 1.00 0.00 C ATOM 31 C TYR A 3 -5.160 8.703 -2.678 1.00 0.00 C ATOM 32 O TYR A 3 -6.119 9.369 -2.280 1.00 0.00 O ATOM 33 CB TYR A 3 -5.485 6.350 -3.524 1.00 0.00 C ATOM 34 CG TYR A 3 -4.603 5.887 -2.377 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.264 5.571 -2.576 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.115 5.782 -1.090 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.463 5.163 -1.526 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.324 5.376 -0.036 1.00 0.00 C ATOM 39 CZ TYR A 3 -2.998 5.069 -0.258 1.00 0.00 C ATOM 40 OH TYR A 3 -2.205 4.669 0.790 1.00 0.00 O ATOM 0 H TYR A 3 -3.585 7.068 -4.914 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.135 8.149 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.529 6.208 -3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.297 5.716 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.843 5.646 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.153 6.023 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.425 4.919 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.740 5.299 0.957 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.786 5.454 1.201 1.00 0.00 H new ATOM 50 N ALA A 4 -3.950 8.739 -2.110 1.00 0.00 N ATOM 51 CA ALA A 4 -3.658 9.493 -0.893 1.00 0.00 C ATOM 52 C ALA A 4 -4.044 10.962 -0.998 1.00 0.00 C ATOM 53 O ALA A 4 -4.342 11.595 0.016 1.00 0.00 O ATOM 54 CB ALA A 4 -2.187 9.357 -0.541 1.00 0.00 C ATOM 0 H ALA A 4 -3.143 8.242 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.269 9.067 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.977 9.922 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.947 8.306 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.580 9.745 -1.359 1.00 0.00 H new ATOM 60 N ASP A 5 -4.043 11.501 -2.215 1.00 0.00 N ATOM 61 CA ASP A 5 -4.407 12.899 -2.432 1.00 0.00 C ATOM 62 C ASP A 5 -5.800 13.191 -1.872 1.00 0.00 C ATOM 63 O ASP A 5 -6.080 14.298 -1.419 1.00 0.00 O ATOM 64 CB ASP A 5 -4.367 13.236 -3.925 1.00 0.00 C ATOM 65 CG ASP A 5 -4.708 14.686 -4.197 1.00 0.00 C ATOM 66 OD1 ASP A 5 -3.799 15.538 -4.104 1.00 0.00 O ATOM 67 OD2 ASP A 5 -5.880 14.980 -4.513 1.00 0.00 O ATOM 0 H ASP A 5 -3.795 10.993 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.682 13.522 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.374 13.019 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.068 12.594 -4.459 1.00 0.00 H new ATOM 72 N SER A 6 -6.668 12.189 -1.899 1.00 0.00 N ATOM 73 CA SER A 6 -8.023 12.345 -1.393 1.00 0.00 C ATOM 74 C SER A 6 -8.383 11.214 -0.431 1.00 0.00 C ATOM 75 O SER A 6 -9.553 10.834 -0.316 1.00 0.00 O ATOM 76 CB SER A 6 -9.012 12.370 -2.558 1.00 0.00 C ATOM 77 OG SER A 6 -8.650 13.346 -3.522 1.00 0.00 O ATOM 0 H SER A 6 -6.458 11.261 -2.266 1.00 0.00 H new ATOM 0 HA SER A 6 -8.078 13.287 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.048 11.387 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.014 12.581 -2.183 1.00 0.00 H new ATOM 0 HG SER A 6 -9.420 13.923 -3.709 1.00 0.00 H new ATOM 83 N SER A 7 -7.390 10.698 0.278 1.00 0.00 N ATOM 84 CA SER A 7 -7.618 9.604 1.214 1.00 0.00 C ATOM 85 C SER A 7 -7.313 10.003 2.650 1.00 0.00 C ATOM 86 O SER A 7 -6.543 10.927 2.910 1.00 0.00 O ATOM 87 CB SER A 7 -6.770 8.392 0.840 1.00 0.00 C ATOM 88 OG SER A 7 -7.157 7.866 -0.411 1.00 0.00 O ATOM 0 H SER A 7 -6.422 11.016 0.225 1.00 0.00 H new ATOM 0 HA SER A 7 -8.676 9.351 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.718 8.676 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.870 7.624 1.607 1.00 0.00 H new ATOM 0 HG SER A 7 -7.081 8.562 -1.096 1.00 0.00 H new ATOM 94 N ARG A 8 -7.928 9.275 3.570 1.00 0.00 N ATOM 95 CA ARG A 8 -7.759 9.489 4.996 1.00 0.00 C ATOM 96 C ARG A 8 -7.996 8.167 5.702 1.00 0.00 C ATOM 97 O ARG A 8 -8.443 7.208 5.065 1.00 0.00 O ATOM 98 CB ARG A 8 -8.741 10.541 5.520 1.00 0.00 C ATOM 99 CG ARG A 8 -10.168 10.031 5.665 1.00 0.00 C ATOM 100 CD ARG A 8 -11.161 11.020 5.095 1.00 0.00 C ATOM 101 NE ARG A 8 -10.953 11.207 3.662 1.00 0.00 N ATOM 102 CZ ARG A 8 -10.592 12.367 3.108 1.00 0.00 C ATOM 103 NH1 ARG A 8 -10.442 13.454 3.856 1.00 0.00 N ATOM 104 NH2 ARG A 8 -10.380 12.446 1.804 1.00 0.00 N ATOM 0 H ARG A 8 -8.565 8.511 3.343 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.751 9.855 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.393 10.899 6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.738 11.396 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.269 9.074 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.389 9.855 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.176 10.666 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.062 11.977 5.608 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.092 10.404 3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.603 13.407 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.166 14.336 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.492 11.619 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.104 13.334 1.385 1.00 0.00 H new ATOM 118 N ASN A 9 -7.704 8.118 6.996 1.00 0.00 N ATOM 119 CA ASN A 9 -7.892 6.905 7.793 1.00 0.00 C ATOM 120 C ASN A 9 -7.125 5.740 7.172 1.00 0.00 C ATOM 121 O ASN A 9 -7.534 4.577 7.273 1.00 0.00 O ATOM 122 CB ASN A 9 -9.380 6.558 7.884 1.00 0.00 C ATOM 123 CG ASN A 9 -9.760 5.918 9.201 1.00 0.00 C ATOM 124 OD1 ASN A 9 -8.935 5.296 9.873 1.00 0.00 O ATOM 125 ND2 ASN A 9 -11.022 6.055 9.569 1.00 0.00 N ATOM 0 H ASN A 9 -7.333 8.909 7.522 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.508 7.086 8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.968 7.465 7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.640 5.882 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.347 5.637 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.671 6.579 8.981 1.00 0.00 H new ATOM 132 N ALA A 10 -6.016 6.064 6.515 1.00 0.00 N ATOM 133 CA ALA A 10 -5.200 5.060 5.857 1.00 0.00 C ATOM 134 C ALA A 10 -4.365 4.298 6.879 1.00 0.00 C ATOM 135 O ALA A 10 -3.458 4.856 7.499 1.00 0.00 O ATOM 136 CB ALA A 10 -4.318 5.717 4.801 1.00 0.00 C ATOM 0 H ALA A 10 -5.664 7.017 6.426 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.851 4.341 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.709 4.957 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.945 6.212 4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.669 6.452 5.276 1.00 0.00 H new ATOM 142 N VAL A 11 -4.674 3.014 7.039 1.00 0.00 N ATOM 143 CA VAL A 11 -3.979 2.154 7.990 1.00 0.00 C ATOM 144 C VAL A 11 -3.884 0.740 7.428 1.00 0.00 C ATOM 145 O VAL A 11 -4.774 0.291 6.703 1.00 0.00 O ATOM 146 CB VAL A 11 -4.713 2.087 9.358 1.00 0.00 C ATOM 147 CG1 VAL A 11 -3.885 1.324 10.383 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.048 3.475 9.884 1.00 0.00 C ATOM 0 H VAL A 11 -5.411 2.542 6.515 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.988 2.580 8.147 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.649 1.553 9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.421 1.291 11.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.713 0.308 10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.928 1.826 10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.561 3.387 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.129 4.046 10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.695 3.988 9.172 1.00 0.00 H new ATOM 158 N LEU A 12 -2.803 0.048 7.755 1.00 0.00 N ATOM 159 CA LEU A 12 -2.605 -1.316 7.301 1.00 0.00 C ATOM 160 C LEU A 12 -3.319 -2.278 8.240 1.00 0.00 C ATOM 161 O LEU A 12 -3.326 -2.085 9.455 1.00 0.00 O ATOM 162 CB LEU A 12 -1.114 -1.640 7.245 1.00 0.00 C ATOM 163 CG LEU A 12 -0.615 -2.158 5.897 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.064 -1.245 4.764 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.898 -2.271 5.913 1.00 0.00 C ATOM 0 H LEU A 12 -2.048 0.412 8.336 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.021 -1.423 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.553 -0.742 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.891 -2.385 8.009 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.044 -3.145 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.696 -1.635 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.153 -1.202 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.665 -0.243 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.245 -2.641 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.334 -1.290 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.203 -2.963 6.698 1.00 0.00 H new ATOM 177 N THR A 13 -3.922 -3.304 7.672 1.00 0.00 N ATOM 178 CA THR A 13 -4.656 -4.289 8.436 1.00 0.00 C ATOM 179 C THR A 13 -4.145 -5.689 8.111 1.00 0.00 C ATOM 180 O THR A 13 -3.424 -5.872 7.120 1.00 0.00 O ATOM 181 CB THR A 13 -6.165 -4.191 8.110 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.582 -2.818 8.152 1.00 0.00 O ATOM 183 CG2 THR A 13 -6.998 -4.993 9.095 1.00 0.00 C ATOM 0 H THR A 13 -3.916 -3.477 6.667 1.00 0.00 H new ATOM 0 HA THR A 13 -4.507 -4.095 9.498 1.00 0.00 H new ATOM 0 HB THR A 13 -6.318 -4.601 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.538 -2.760 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.053 -4.903 8.837 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.703 -6.041 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.837 -4.611 10.103 1.00 0.00 H new ATOM 191 N ASN A 14 -4.475 -6.654 8.974 1.00 0.00 N ATOM 192 CA ASN A 14 -4.096 -8.056 8.790 1.00 0.00 C ATOM 193 C ASN A 14 -2.603 -8.271 9.029 1.00 0.00 C ATOM 194 O ASN A 14 -2.070 -9.345 8.765 1.00 0.00 O ATOM 195 CB ASN A 14 -4.476 -8.522 7.383 1.00 0.00 C ATOM 196 CG ASN A 14 -5.147 -9.879 7.375 1.00 0.00 C ATOM 197 OD1 ASN A 14 -4.908 -10.714 8.248 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.989 -10.109 6.381 1.00 0.00 N ATOM 0 H ASN A 14 -5.014 -6.483 9.823 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.639 -8.648 9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.144 -7.789 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.580 -8.561 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.469 -11.007 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.158 -9.389 5.679 1.00 0.00 H new ATOM 205 N GLY A 15 -1.939 -7.245 9.530 1.00 0.00 N ATOM 206 CA GLY A 15 -0.516 -7.334 9.789 1.00 0.00 C ATOM 207 C GLY A 15 0.288 -6.823 8.620 1.00 0.00 C ATOM 208 O GLY A 15 1.453 -7.181 8.447 1.00 0.00 O ATOM 0 H GLY A 15 -2.360 -6.346 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.270 -6.758 10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.246 -8.370 9.994 1.00 0.00 H new ATOM 212 N GLY A 16 -0.344 -5.978 7.820 1.00 0.00 N ATOM 213 CA GLY A 16 0.310 -5.419 6.660 1.00 0.00 C ATOM 214 C GLY A 16 -0.036 -6.171 5.394 1.00 0.00 C ATOM 215 O GLY A 16 0.717 -6.155 4.428 1.00 0.00 O ATOM 0 H GLY A 16 -1.306 -5.669 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.022 -4.374 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.390 -5.438 6.809 1.00 0.00 H new ATOM 219 N ARG A 17 -1.187 -6.825 5.399 1.00 0.00 N ATOM 220 CA ARG A 17 -1.625 -7.600 4.249 1.00 0.00 C ATOM 221 C ARG A 17 -2.770 -6.892 3.541 1.00 0.00 C ATOM 222 O ARG A 17 -3.056 -7.164 2.379 1.00 0.00 O ATOM 223 CB ARG A 17 -2.067 -9.003 4.691 1.00 0.00 C ATOM 224 CG ARG A 17 -1.244 -9.565 5.841 1.00 0.00 C ATOM 225 CD ARG A 17 -1.562 -11.029 6.119 1.00 0.00 C ATOM 226 NE ARG A 17 -1.045 -11.928 5.084 1.00 0.00 N ATOM 227 CZ ARG A 17 -1.116 -13.259 5.158 1.00 0.00 C ATOM 228 NH1 ARG A 17 -1.637 -13.844 6.232 1.00 0.00 N ATOM 229 NH2 ARG A 17 -0.651 -14.001 4.164 1.00 0.00 N ATOM 0 H ARG A 17 -1.835 -6.835 6.187 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.789 -7.696 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.115 -8.968 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.999 -9.681 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.184 -9.464 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.432 -8.978 6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.139 -11.311 7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.642 -11.153 6.196 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.607 -11.514 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.985 -13.276 7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.689 -14.861 6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.240 -13.555 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.704 -15.018 4.219 1.00 0.00 H new ATOM 243 N THR A 18 -3.404 -5.964 4.241 1.00 0.00 N ATOM 244 CA THR A 18 -4.523 -5.223 3.686 1.00 0.00 C ATOM 245 C THR A 18 -4.345 -3.719 3.880 1.00 0.00 C ATOM 246 O THR A 18 -4.065 -3.251 4.981 1.00 0.00 O ATOM 247 CB THR A 18 -5.850 -5.661 4.336 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.035 -7.076 4.182 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.027 -4.914 3.722 1.00 0.00 C ATOM 0 H THR A 18 -3.161 -5.706 5.197 1.00 0.00 H new ATOM 0 HA THR A 18 -4.553 -5.442 2.619 1.00 0.00 H new ATOM 0 HB THR A 18 -5.804 -5.420 5.398 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.238 -7.279 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.952 -5.240 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.898 -3.843 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.074 -5.124 2.653 1.00 0.00 H new ATOM 257 N LEU A 19 -4.483 -2.978 2.797 1.00 0.00 N ATOM 258 CA LEU A 19 -4.376 -1.530 2.819 1.00 0.00 C ATOM 259 C LEU A 19 -5.769 -0.914 2.893 1.00 0.00 C ATOM 260 O LEU A 19 -6.533 -0.977 1.929 1.00 0.00 O ATOM 261 CB LEU A 19 -3.648 -1.057 1.563 1.00 0.00 C ATOM 262 CG LEU A 19 -3.624 0.452 1.333 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.914 1.162 2.472 1.00 0.00 C ATOM 264 CD2 LEU A 19 -2.954 0.755 0.005 1.00 0.00 C ATOM 0 H LEU A 19 -4.673 -3.365 1.872 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.809 -1.215 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.619 -1.414 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.113 -1.529 0.698 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.649 0.821 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.910 2.236 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.434 0.959 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.888 0.802 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.938 1.833 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.933 0.375 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.510 0.275 -0.801 1.00 0.00 H new ATOM 276 N ARG A 20 -6.104 -0.349 4.045 1.00 0.00 N ATOM 277 CA ARG A 20 -7.409 0.269 4.245 1.00 0.00 C ATOM 278 C ARG A 20 -7.283 1.789 4.229 1.00 0.00 C ATOM 279 O ARG A 20 -6.526 2.360 5.012 1.00 0.00 O ATOM 280 CB ARG A 20 -7.994 -0.201 5.587 1.00 0.00 C ATOM 281 CG ARG A 20 -9.508 -0.062 5.715 1.00 0.00 C ATOM 282 CD ARG A 20 -9.970 1.383 5.852 1.00 0.00 C ATOM 283 NE ARG A 20 -9.426 2.040 7.041 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.930 1.902 8.271 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.937 1.065 8.497 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.417 2.594 9.279 1.00 0.00 N ATOM 0 H ARG A 20 -5.489 -0.306 4.857 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.076 -0.029 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.726 -1.247 5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.523 0.366 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.982 -0.507 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.846 -0.628 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.671 1.941 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.059 1.410 5.894 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.611 2.641 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.331 0.522 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.316 0.966 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.638 3.232 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.802 2.489 10.218 1.00 0.00 H new ATOM 300 N ALA A 21 -8.036 2.439 3.349 1.00 0.00 N ATOM 301 CA ALA A 21 -8.014 3.892 3.244 1.00 0.00 C ATOM 302 C ALA A 21 -9.361 4.413 2.758 1.00 0.00 C ATOM 303 O ALA A 21 -10.049 3.745 1.992 1.00 0.00 O ATOM 304 CB ALA A 21 -6.905 4.338 2.302 1.00 0.00 C ATOM 0 H ALA A 21 -8.671 1.980 2.696 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.819 4.306 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.901 5.426 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.943 3.995 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.075 3.913 1.313 1.00 0.00 H new ATOM 310 N GLU A 22 -9.749 5.592 3.215 1.00 0.00 N ATOM 311 CA GLU A 22 -11.019 6.173 2.801 1.00 0.00 C ATOM 312 C GLU A 22 -10.763 7.309 1.826 1.00 0.00 C ATOM 313 O GLU A 22 -10.261 8.370 2.209 1.00 0.00 O ATOM 314 CB GLU A 22 -11.805 6.672 4.015 1.00 0.00 C ATOM 315 CG GLU A 22 -11.690 5.748 5.215 1.00 0.00 C ATOM 316 CD GLU A 22 -12.758 5.988 6.260 1.00 0.00 C ATOM 317 OE1 GLU A 22 -12.641 6.965 7.029 1.00 0.00 O ATOM 318 OE2 GLU A 22 -13.722 5.196 6.315 1.00 0.00 O ATOM 0 H GLU A 22 -9.210 6.162 3.867 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.616 5.407 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.446 7.664 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.855 6.777 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.750 4.714 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.709 5.878 5.672 1.00 0.00 H new ATOM 325 N CYS A 23 -11.117 7.089 0.573 1.00 0.00 N ATOM 326 CA CYS A 23 -10.901 8.080 -0.465 1.00 0.00 C ATOM 327 C CYS A 23 -12.208 8.464 -1.131 1.00 0.00 C ATOM 328 O CYS A 23 -13.107 7.641 -1.283 1.00 0.00 O ATOM 329 CB CYS A 23 -9.931 7.542 -1.519 1.00 0.00 C ATOM 330 SG CYS A 23 -9.512 8.739 -2.812 1.00 0.00 S ATOM 0 H CYS A 23 -11.558 6.228 0.249 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.473 8.966 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.014 7.221 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.369 6.659 -1.984 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.594 9.102 -3.434 1.00 0.00 H new ATOM 336 N ARG A 24 -12.304 9.725 -1.518 1.00 0.00 N ATOM 337 CA ARG A 24 -13.481 10.237 -2.185 1.00 0.00 C ATOM 338 C ARG A 24 -13.565 9.640 -3.589 1.00 0.00 C ATOM 339 O ARG A 24 -12.541 9.401 -4.230 1.00 0.00 O ATOM 340 CB ARG A 24 -13.447 11.780 -2.209 1.00 0.00 C ATOM 341 CG ARG A 24 -13.442 12.407 -3.598 1.00 0.00 C ATOM 342 CD ARG A 24 -12.064 12.355 -4.245 1.00 0.00 C ATOM 343 NE ARG A 24 -12.141 11.970 -5.654 1.00 0.00 N ATOM 344 CZ ARG A 24 -11.094 11.960 -6.483 1.00 0.00 C ATOM 345 NH1 ARG A 24 -9.888 12.309 -6.044 1.00 0.00 N ATOM 346 NH2 ARG A 24 -11.250 11.601 -7.753 1.00 0.00 N ATOM 0 H ARG A 24 -11.569 10.418 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.379 9.944 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.312 12.155 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.560 12.116 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.160 11.887 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.770 13.444 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.585 13.331 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.436 11.644 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.049 11.692 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.760 12.586 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.091 12.300 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.172 11.332 -8.097 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.448 11.595 -8.383 1.00 0.00 H new ATOM 360 N ASN A 25 -14.776 9.367 -4.043 1.00 0.00 N ATOM 361 CA ASN A 25 -14.985 8.793 -5.364 1.00 0.00 C ATOM 362 C ASN A 25 -15.104 9.882 -6.417 1.00 0.00 C ATOM 363 O ASN A 25 -14.798 11.045 -6.150 1.00 0.00 O ATOM 364 CB ASN A 25 -16.238 7.910 -5.379 1.00 0.00 C ATOM 365 CG ASN A 25 -17.544 8.684 -5.368 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.640 9.773 -4.805 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.558 8.125 -6.011 1.00 0.00 N ATOM 0 H ASN A 25 -15.633 9.534 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.118 8.176 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.212 7.276 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.213 7.248 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.460 8.600 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.437 7.220 -6.465 1.00 0.00 H new ATOM 374 N ALA A 26 -15.546 9.506 -7.604 1.00 0.00 N ATOM 375 CA ALA A 26 -15.712 10.454 -8.698 1.00 0.00 C ATOM 376 C ALA A 26 -16.738 11.540 -8.353 1.00 0.00 C ATOM 377 O ALA A 26 -16.662 12.662 -8.854 1.00 0.00 O ATOM 378 CB ALA A 26 -16.114 9.712 -9.961 1.00 0.00 C ATOM 0 H ALA A 26 -15.798 8.546 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.759 10.955 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.237 10.424 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.339 8.991 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.055 9.188 -9.791 1.00 0.00 H new ATOM 384 N ASP A 27 -17.684 11.210 -7.479 1.00 0.00 N ATOM 385 CA ASP A 27 -18.724 12.158 -7.074 1.00 0.00 C ATOM 386 C ASP A 27 -18.221 13.095 -5.979 1.00 0.00 C ATOM 387 O ASP A 27 -18.737 14.199 -5.800 1.00 0.00 O ATOM 388 CB ASP A 27 -19.963 11.411 -6.577 1.00 0.00 C ATOM 389 CG ASP A 27 -21.124 12.342 -6.283 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.626 12.988 -7.225 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.538 12.439 -5.108 1.00 0.00 O ATOM 0 H ASP A 27 -17.754 10.294 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 27 -18.986 12.754 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.268 10.681 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.710 10.855 -5.674 1.00 0.00 H new ATOM 396 N GLY A 28 -17.211 12.653 -5.249 1.00 0.00 N ATOM 397 CA GLY A 28 -16.666 13.461 -4.179 1.00 0.00 C ATOM 398 C GLY A 28 -17.013 12.901 -2.816 1.00 0.00 C ATOM 399 O GLY A 28 -16.631 13.459 -1.786 1.00 0.00 O ATOM 0 H GLY A 28 -16.758 11.748 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.582 13.518 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.048 14.478 -4.262 1.00 0.00 H new ATOM 403 N ASN A 29 -17.730 11.784 -2.809 1.00 0.00 N ATOM 404 CA ASN A 29 -18.130 11.143 -1.563 1.00 0.00 C ATOM 405 C ASN A 29 -17.002 10.269 -1.056 1.00 0.00 C ATOM 406 O ASN A 29 -16.307 9.632 -1.842 1.00 0.00 O ATOM 407 CB ASN A 29 -19.363 10.271 -1.767 1.00 0.00 C ATOM 408 CG ASN A 29 -20.099 9.984 -0.469 1.00 0.00 C ATOM 409 OD1 ASN A 29 -20.096 10.796 0.456 1.00 0.00 O ATOM 410 ND2 ASN A 29 -20.731 8.822 -0.390 1.00 0.00 N ATOM 0 H ASN A 29 -18.046 11.304 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.362 11.926 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.041 10.765 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.065 9.329 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.238 8.574 0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.710 8.175 -1.179 1.00 0.00 H new ATOM 417 N TRP A 30 -16.830 10.234 0.247 1.00 0.00 N ATOM 418 CA TRP A 30 -15.782 9.433 0.856 1.00 0.00 C ATOM 419 C TRP A 30 -16.160 7.961 0.840 1.00 0.00 C ATOM 420 O TRP A 30 -17.183 7.560 1.397 1.00 0.00 O ATOM 421 CB TRP A 30 -15.498 9.899 2.284 1.00 0.00 C ATOM 422 CG TRP A 30 -14.869 11.256 2.340 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.235 11.903 1.320 1.00 0.00 C ATOM 424 CD2 TRP A 30 -14.802 12.126 3.473 1.00 0.00 C ATOM 425 NE1 TRP A 30 -13.782 13.125 1.748 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.118 13.288 3.065 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.256 12.042 4.790 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -13.876 14.352 3.929 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -15.016 13.097 5.646 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.332 14.241 5.213 1.00 0.00 C ATOM 0 H TRP A 30 -17.404 10.753 0.912 1.00 0.00 H new ATOM 0 HA TRP A 30 -14.872 9.563 0.271 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -16.430 9.913 2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -14.841 9.179 2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.108 11.511 0.322 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.277 13.803 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.786 11.166 5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.347 15.233 3.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.361 13.040 6.668 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.162 15.051 5.907 1.00 0.00 H new ATOM 441 N VAL A 31 -15.336 7.169 0.180 1.00 0.00 N ATOM 442 CA VAL A 31 -15.565 5.742 0.063 1.00 0.00 C ATOM 443 C VAL A 31 -14.428 4.969 0.716 1.00 0.00 C ATOM 444 O VAL A 31 -13.257 5.170 0.382 1.00 0.00 O ATOM 445 CB VAL A 31 -15.660 5.311 -1.414 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.270 3.924 -1.541 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.442 6.331 -2.224 1.00 0.00 C ATOM 0 H VAL A 31 -14.491 7.496 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.508 5.522 0.564 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.649 5.265 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.325 3.646 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.650 3.204 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.273 3.927 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.496 6.006 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.450 6.422 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.942 7.298 -2.172 1.00 0.00 H new ATOM 457 N THR A 32 -14.767 4.104 1.651 1.00 0.00 N ATOM 458 CA THR A 32 -13.772 3.299 2.322 1.00 0.00 C ATOM 459 C THR A 32 -13.343 2.157 1.405 1.00 0.00 C ATOM 460 O THR A 32 -14.101 1.212 1.172 1.00 0.00 O ATOM 461 CB THR A 32 -14.325 2.736 3.642 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.007 3.776 4.365 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.200 2.169 4.494 1.00 0.00 C ATOM 0 H THR A 32 -15.725 3.942 1.962 1.00 0.00 H new ATOM 0 HA THR A 32 -12.910 3.925 2.554 1.00 0.00 H new ATOM 0 HB THR A 32 -15.026 1.933 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.436 4.096 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.611 1.775 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.700 1.368 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.482 2.957 4.720 1.00 0.00 H new ATOM 471 N SER A 33 -12.140 2.256 0.868 1.00 0.00 N ATOM 472 CA SER A 33 -11.629 1.248 -0.041 1.00 0.00 C ATOM 473 C SER A 33 -10.490 0.467 0.593 1.00 0.00 C ATOM 474 O SER A 33 -9.667 1.019 1.329 1.00 0.00 O ATOM 475 CB SER A 33 -11.177 1.904 -1.346 1.00 0.00 C ATOM 476 OG SER A 33 -10.513 3.131 -1.098 1.00 0.00 O ATOM 0 H SER A 33 -11.497 3.028 1.047 1.00 0.00 H new ATOM 0 HA SER A 33 -12.430 0.542 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.511 1.229 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.041 2.078 -1.987 1.00 0.00 H new ATOM 0 HG SER A 33 -9.725 2.969 -0.538 1.00 0.00 H new ATOM 482 N GLU A 34 -10.464 -0.827 0.331 1.00 0.00 N ATOM 483 CA GLU A 34 -9.437 -1.687 0.870 1.00 0.00 C ATOM 484 C GLU A 34 -8.818 -2.535 -0.227 1.00 0.00 C ATOM 485 O GLU A 34 -9.522 -3.158 -1.020 1.00 0.00 O ATOM 486 CB GLU A 34 -10.025 -2.601 1.942 1.00 0.00 C ATOM 487 CG GLU A 34 -10.980 -1.888 2.879 1.00 0.00 C ATOM 488 CD GLU A 34 -11.365 -2.731 4.071 1.00 0.00 C ATOM 489 OE1 GLU A 34 -10.516 -2.925 4.963 1.00 0.00 O ATOM 490 OE2 GLU A 34 -12.517 -3.212 4.119 1.00 0.00 O ATOM 0 H GLU A 34 -11.149 -1.304 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.665 -1.057 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.549 -3.426 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.213 -3.036 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.519 -0.964 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.880 -1.609 2.331 1.00 0.00 H new ATOM 497 N LEU A 35 -7.503 -2.551 -0.268 1.00 0.00 N ATOM 498 CA LEU A 35 -6.782 -3.342 -1.245 1.00 0.00 C ATOM 499 C LEU A 35 -5.808 -4.254 -0.541 1.00 0.00 C ATOM 500 O LEU A 35 -4.938 -3.801 0.204 1.00 0.00 O ATOM 501 CB LEU A 35 -6.049 -2.455 -2.259 1.00 0.00 C ATOM 502 CG LEU A 35 -4.969 -3.160 -3.100 1.00 0.00 C ATOM 503 CD1 LEU A 35 -5.537 -4.367 -3.840 1.00 0.00 C ATOM 504 CD2 LEU A 35 -4.343 -2.184 -4.084 1.00 0.00 C ATOM 0 H LEU A 35 -6.907 -2.022 0.368 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.504 -3.942 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.786 -2.022 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.584 -1.628 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.198 -3.519 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.748 -4.841 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.934 -5.082 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.336 -4.042 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.582 -2.697 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.113 -1.794 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.885 -1.360 -3.537 1.00 0.00 H new ATOM 516 N ASP A 36 -5.987 -5.539 -0.752 1.00 0.00 N ATOM 517 CA ASP A 36 -5.122 -6.527 -0.166 1.00 0.00 C ATOM 518 C ASP A 36 -3.747 -6.430 -0.798 1.00 0.00 C ATOM 519 O ASP A 36 -3.554 -6.780 -1.959 1.00 0.00 O ATOM 520 CB ASP A 36 -5.711 -7.919 -0.369 1.00 0.00 C ATOM 521 CG ASP A 36 -6.939 -8.162 0.483 1.00 0.00 C ATOM 522 OD1 ASP A 36 -6.865 -7.963 1.716 1.00 0.00 O ATOM 523 OD2 ASP A 36 -7.983 -8.565 -0.072 1.00 0.00 O ATOM 0 H ASP A 36 -6.733 -5.923 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.031 -6.346 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.971 -8.050 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.955 -8.667 -0.132 1.00 0.00 H new ATOM 528 N LEU A 37 -2.798 -5.921 -0.033 1.00 0.00 N ATOM 529 CA LEU A 37 -1.435 -5.771 -0.509 1.00 0.00 C ATOM 530 C LEU A 37 -0.880 -7.112 -0.875 1.00 0.00 C ATOM 531 O LEU A 37 -0.198 -7.277 -1.876 1.00 0.00 O ATOM 532 CB LEU A 37 -0.556 -5.185 0.567 1.00 0.00 C ATOM 533 CG LEU A 37 -0.952 -3.816 1.042 1.00 0.00 C ATOM 534 CD1 LEU A 37 0.138 -3.292 1.925 1.00 0.00 C ATOM 535 CD2 LEU A 37 -1.224 -2.894 -0.134 1.00 0.00 C ATOM 0 H LEU A 37 -2.947 -5.603 0.925 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.451 -5.108 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.555 -5.862 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.467 -5.141 0.194 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.879 -3.868 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.129 -2.297 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.269 -3.960 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.069 -3.237 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.509 -1.909 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.325 -2.807 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.034 -3.304 -0.738 1.00 0.00 H new ATOM 547 N ASP A 38 -1.213 -8.080 -0.055 1.00 0.00 N ATOM 548 CA ASP A 38 -0.765 -9.442 -0.251 1.00 0.00 C ATOM 549 C ASP A 38 -1.315 -10.008 -1.548 1.00 0.00 C ATOM 550 O ASP A 38 -0.978 -11.118 -1.920 1.00 0.00 O ATOM 551 CB ASP A 38 -1.174 -10.346 0.912 1.00 0.00 C ATOM 552 CG ASP A 38 -2.615 -10.814 0.817 1.00 0.00 C ATOM 553 OD1 ASP A 38 -3.523 -10.037 1.165 1.00 0.00 O ATOM 554 OD2 ASP A 38 -2.841 -11.968 0.388 1.00 0.00 O ATOM 0 H ASP A 38 -1.802 -7.948 0.767 1.00 0.00 H new ATOM 0 HA ASP A 38 0.324 -9.415 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.516 -11.215 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.033 -9.809 1.850 1.00 0.00 H new ATOM 559 N THR A 39 -2.168 -9.262 -2.233 1.00 0.00 N ATOM 560 CA THR A 39 -2.734 -9.764 -3.473 1.00 0.00 C ATOM 561 C THR A 39 -2.149 -9.052 -4.693 1.00 0.00 C ATOM 562 O THR A 39 -2.358 -9.483 -5.829 1.00 0.00 O ATOM 563 CB THR A 39 -4.279 -9.689 -3.477 1.00 0.00 C ATOM 564 OG1 THR A 39 -4.814 -10.800 -4.208 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.787 -8.399 -4.098 1.00 0.00 C ATOM 0 H THR A 39 -2.477 -8.329 -1.960 1.00 0.00 H new ATOM 0 HA THR A 39 -2.457 -10.816 -3.538 1.00 0.00 H new ATOM 0 HB THR A 39 -4.609 -9.718 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.084 -11.392 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.877 -8.391 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.408 -7.548 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.442 -8.331 -5.130 1.00 0.00 H new ATOM 573 N ILE A 40 -1.384 -7.987 -4.462 1.00 0.00 N ATOM 574 CA ILE A 40 -0.782 -7.235 -5.561 1.00 0.00 C ATOM 575 C ILE A 40 0.623 -6.745 -5.217 1.00 0.00 C ATOM 576 O ILE A 40 1.202 -5.944 -5.938 1.00 0.00 O ATOM 577 CB ILE A 40 -1.665 -6.030 -5.966 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.074 -5.209 -4.740 1.00 0.00 C ATOM 579 CG2 ILE A 40 -2.897 -6.490 -6.728 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.119 -4.089 -4.397 1.00 0.00 C ATOM 0 H ILE A 40 -1.168 -7.628 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.709 -7.923 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.072 -5.393 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.064 -4.787 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.158 -5.876 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.500 -5.624 -7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.590 -7.018 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.485 -7.159 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.482 -3.558 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.132 -4.503 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.053 -3.397 -5.237 1.00 0.00 H new ATOM 592 N ILE A 41 1.167 -7.220 -4.113 1.00 0.00 N ATOM 593 CA ILE A 41 2.500 -6.820 -3.678 1.00 0.00 C ATOM 594 C ILE A 41 3.343 -8.048 -3.410 1.00 0.00 C ATOM 595 O ILE A 41 2.888 -8.976 -2.747 1.00 0.00 O ATOM 596 CB ILE A 41 2.442 -5.947 -2.406 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.671 -4.657 -2.686 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.832 -5.632 -1.877 1.00 0.00 C ATOM 599 CD1 ILE A 41 2.078 -3.504 -1.802 1.00 0.00 C ATOM 0 H ILE A 41 0.706 -7.888 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 41 2.949 -6.229 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 41 1.919 -6.514 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.819 -4.374 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.605 -4.845 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.750 -5.016 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.347 -6.561 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.397 -5.093 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.489 -2.623 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.904 -3.766 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.136 -3.288 -1.950 1.00 0.00 H new ATOM 611 N GLY A 42 4.555 -8.060 -3.932 1.00 0.00 N ATOM 612 CA GLY A 42 5.427 -9.201 -3.747 1.00 0.00 C ATOM 613 C GLY A 42 6.799 -8.804 -3.254 1.00 0.00 C ATOM 614 O GLY A 42 7.202 -7.654 -3.393 1.00 0.00 O ATOM 0 H GLY A 42 4.954 -7.300 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.973 -9.890 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.524 -9.737 -4.691 1.00 0.00 H new ATOM 618 N ASN A 43 7.497 -9.744 -2.643 1.00 0.00 N ATOM 619 CA ASN A 43 8.837 -9.498 -2.138 1.00 0.00 C ATOM 620 C ASN A 43 9.855 -10.292 -2.941 1.00 0.00 C ATOM 621 O ASN A 43 9.842 -11.523 -2.933 1.00 0.00 O ATOM 622 CB ASN A 43 8.921 -9.854 -0.649 1.00 0.00 C ATOM 623 CG ASN A 43 10.349 -9.970 -0.134 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.271 -9.323 -0.636 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.535 -10.788 0.888 1.00 0.00 N ATOM 0 H ASN A 43 7.156 -10.692 -2.483 1.00 0.00 H new ATOM 0 HA ASN A 43 9.064 -8.438 -2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.395 -9.094 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.404 -10.798 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.466 -10.901 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.747 -11.306 1.276 1.00 0.00 H new ATOM 632 N ASN A 44 10.713 -9.588 -3.663 1.00 0.00 N ATOM 633 CA ASN A 44 11.743 -10.238 -4.461 1.00 0.00 C ATOM 634 C ASN A 44 13.112 -10.086 -3.797 1.00 0.00 C ATOM 635 O ASN A 44 13.877 -9.176 -4.127 1.00 0.00 O ATOM 636 CB ASN A 44 11.772 -9.661 -5.882 1.00 0.00 C ATOM 637 CG ASN A 44 12.692 -10.440 -6.807 1.00 0.00 C ATOM 638 OD1 ASN A 44 12.276 -11.406 -7.447 1.00 0.00 O ATOM 639 ND2 ASN A 44 13.942 -10.012 -6.909 1.00 0.00 N ATOM 0 H ASN A 44 10.717 -8.569 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 44 11.505 -11.300 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.762 -9.663 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.097 -8.621 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.594 -10.487 -7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.252 -9.208 -6.363 1.00 0.00 H new ATOM 646 N ASP A 45 13.391 -10.968 -2.837 1.00 0.00 N ATOM 647 CA ASP A 45 14.665 -10.976 -2.108 1.00 0.00 C ATOM 648 C ASP A 45 14.975 -9.618 -1.490 1.00 0.00 C ATOM 649 O ASP A 45 16.052 -9.056 -1.707 1.00 0.00 O ATOM 650 CB ASP A 45 15.819 -11.393 -3.027 1.00 0.00 C ATOM 651 CG ASP A 45 15.847 -12.880 -3.300 1.00 0.00 C ATOM 652 OD1 ASP A 45 16.485 -13.616 -2.519 1.00 0.00 O ATOM 653 OD2 ASP A 45 15.245 -13.322 -4.303 1.00 0.00 O ATOM 0 H ASP A 45 12.743 -11.698 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 45 14.562 -11.704 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.736 -10.857 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.764 -11.094 -2.573 1.00 0.00 H new ATOM 658 N GLY A 46 14.034 -9.083 -0.729 1.00 0.00 N ATOM 659 CA GLY A 46 14.251 -7.801 -0.105 1.00 0.00 C ATOM 660 C GLY A 46 13.985 -6.658 -1.055 1.00 0.00 C ATOM 661 O GLY A 46 14.679 -5.647 -1.023 1.00 0.00 O ATOM 0 H GLY A 46 13.130 -9.512 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.602 -7.707 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.278 -7.742 0.255 1.00 0.00 H new ATOM 665 N HIS A 47 12.995 -6.825 -1.919 1.00 0.00 N ATOM 666 CA HIS A 47 12.634 -5.789 -2.882 1.00 0.00 C ATOM 667 C HIS A 47 11.144 -5.844 -3.170 1.00 0.00 C ATOM 668 O HIS A 47 10.645 -6.860 -3.647 1.00 0.00 O ATOM 669 CB HIS A 47 13.401 -5.960 -4.200 1.00 0.00 C ATOM 670 CG HIS A 47 14.891 -5.871 -4.068 1.00 0.00 C ATOM 671 ND1 HIS A 47 15.700 -6.981 -3.983 1.00 0.00 N ATOM 672 CD2 HIS A 47 15.719 -4.801 -4.015 1.00 0.00 C ATOM 673 CE1 HIS A 47 16.958 -6.601 -3.882 1.00 0.00 C ATOM 674 NE2 HIS A 47 17.000 -5.284 -3.899 1.00 0.00 N ATOM 0 H HIS A 47 12.425 -7.669 -1.975 1.00 0.00 H new ATOM 0 HA HIS A 47 12.897 -4.826 -2.445 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.144 -6.927 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.065 -5.198 -4.903 1.00 0.00 H new ATOM 0 HD1 HIS A 47 15.376 -7.948 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 47 15.427 -3.762 -4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 47 17.811 -7.258 -3.799 1.00 0.00 H new ATOM 683 N PHE A 48 10.433 -4.771 -2.852 1.00 0.00 N ATOM 684 CA PHE A 48 9.001 -4.715 -3.112 1.00 0.00 C ATOM 685 C PHE A 48 8.727 -4.775 -4.604 1.00 0.00 C ATOM 686 O PHE A 48 9.380 -4.098 -5.400 1.00 0.00 O ATOM 687 CB PHE A 48 8.376 -3.450 -2.529 1.00 0.00 C ATOM 688 CG PHE A 48 8.147 -3.514 -1.047 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.191 -4.367 -0.519 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.886 -2.728 -0.183 1.00 0.00 C ATOM 691 CE1 PHE A 48 6.979 -4.431 0.845 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.677 -2.788 1.180 1.00 0.00 C ATOM 693 CZ PHE A 48 7.723 -3.641 1.695 1.00 0.00 C ATOM 0 H PHE A 48 10.820 -3.934 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 48 8.548 -5.579 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.023 -2.601 -2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.424 -3.264 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.605 -4.988 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.636 -2.059 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.231 -5.100 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.261 -2.167 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.559 -3.690 2.761 1.00 0.00 H new ATOM 703 N GLN A 49 7.759 -5.589 -4.969 1.00 0.00 N ATOM 704 CA GLN A 49 7.385 -5.772 -6.349 1.00 0.00 C ATOM 705 C GLN A 49 5.895 -5.537 -6.531 1.00 0.00 C ATOM 706 O GLN A 49 5.069 -6.246 -5.945 1.00 0.00 O ATOM 707 CB GLN A 49 7.757 -7.191 -6.784 1.00 0.00 C ATOM 708 CG GLN A 49 6.945 -7.717 -7.958 1.00 0.00 C ATOM 709 CD GLN A 49 7.313 -9.140 -8.332 1.00 0.00 C ATOM 710 OE1 GLN A 49 7.713 -9.937 -7.481 1.00 0.00 O ATOM 711 NE2 GLN A 49 7.181 -9.469 -9.605 1.00 0.00 N ATOM 0 H GLN A 49 7.210 -6.143 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 49 7.919 -5.050 -6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.814 -7.212 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.628 -7.864 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.885 -7.673 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.098 -7.068 -8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.846 -8.779 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.414 -10.413 -9.915 1.00 0.00 H new ATOM 720 N TRP A 50 5.551 -4.523 -7.303 1.00 0.00 N ATOM 721 CA TRP A 50 4.158 -4.249 -7.580 1.00 0.00 C ATOM 722 C TRP A 50 3.632 -5.310 -8.539 1.00 0.00 C ATOM 723 O TRP A 50 4.067 -5.403 -9.686 1.00 0.00 O ATOM 724 CB TRP A 50 3.981 -2.852 -8.182 1.00 0.00 C ATOM 725 CG TRP A 50 4.103 -1.741 -7.180 1.00 0.00 C ATOM 726 CD1 TRP A 50 5.118 -0.831 -7.072 1.00 0.00 C ATOM 727 CD2 TRP A 50 3.170 -1.428 -6.142 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.865 0.034 -6.030 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.679 -0.318 -5.442 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.954 -1.981 -5.735 1.00 0.00 C ATOM 731 CZ2 TRP A 50 3.010 0.249 -4.363 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.292 -1.417 -4.664 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.821 -0.312 -3.987 1.00 0.00 C ATOM 0 H TRP A 50 6.211 -3.883 -7.744 1.00 0.00 H new ATOM 0 HA TRP A 50 3.594 -4.279 -6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.726 -2.707 -8.964 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.002 -2.793 -8.659 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.989 -0.796 -7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.463 0.809 -5.743 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.539 -2.835 -6.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.415 1.103 -3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.350 -1.835 -4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.279 0.106 -3.151 1.00 0.00 H new ATOM 744 N GLY A 51 2.708 -6.116 -8.053 1.00 0.00 N ATOM 745 CA GLY A 51 2.130 -7.170 -8.859 1.00 0.00 C ATOM 746 C GLY A 51 2.741 -8.520 -8.547 1.00 0.00 C ATOM 747 O GLY A 51 2.837 -9.385 -9.417 1.00 0.00 O ATOM 0 H GLY A 51 2.342 -6.060 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.054 -7.210 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.276 -6.941 -9.915 1.00 0.00 H new ATOM 751 N GLY A 52 3.166 -8.700 -7.302 1.00 0.00 N ATOM 752 CA GLY A 52 3.769 -9.956 -6.904 1.00 0.00 C ATOM 753 C GLY A 52 2.819 -10.847 -6.132 1.00 0.00 C ATOM 754 O GLY A 52 2.672 -12.026 -6.458 1.00 0.00 O ATOM 0 H GLY A 52 3.104 -8.000 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.114 -10.485 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.648 -9.753 -6.292 1.00 0.00 H new ATOM 758 N GLN A 53 2.183 -10.279 -5.103 1.00 0.00 N ATOM 759 CA GLN A 53 1.240 -11.003 -4.246 1.00 0.00 C ATOM 760 C GLN A 53 1.965 -12.023 -3.353 1.00 0.00 C ATOM 761 O GLN A 53 2.982 -12.601 -3.746 1.00 0.00 O ATOM 762 CB GLN A 53 0.143 -11.664 -5.096 1.00 0.00 C ATOM 763 CG GLN A 53 -0.697 -12.690 -4.354 1.00 0.00 C ATOM 764 CD GLN A 53 -1.848 -13.212 -5.181 1.00 0.00 C ATOM 765 OE1 GLN A 53 -2.947 -12.653 -5.164 1.00 0.00 O ATOM 766 NE2 GLN A 53 -1.608 -14.291 -5.904 1.00 0.00 N ATOM 0 H GLN A 53 2.308 -9.301 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 53 0.760 -10.286 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.515 -10.887 -5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.608 -12.147 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.063 -13.524 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.086 -12.242 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.683 -14.721 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.348 -14.695 -6.479 1.00 0.00 H new ATOM 775 N ASN A 54 1.446 -12.189 -2.132 1.00 0.00 N ATOM 776 CA ASN A 54 1.994 -13.118 -1.141 1.00 0.00 C ATOM 777 C ASN A 54 3.328 -12.621 -0.592 1.00 0.00 C ATOM 778 O ASN A 54 4.203 -13.408 -0.244 1.00 0.00 O ATOM 779 CB ASN A 54 2.137 -14.531 -1.723 1.00 0.00 C ATOM 780 CG ASN A 54 0.808 -15.261 -1.845 1.00 0.00 C ATOM 781 OD1 ASN A 54 -0.249 -14.646 -1.988 1.00 0.00 O ATOM 782 ND2 ASN A 54 0.851 -16.581 -1.792 1.00 0.00 N ATOM 0 H ASN A 54 0.627 -11.678 -1.802 1.00 0.00 H new ATOM 0 HA ASN A 54 1.287 -13.165 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.602 -14.467 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.808 -15.112 -1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.010 -17.123 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.745 -17.058 -1.673 1.00 0.00 H new ATOM 789 N PHE A 55 3.465 -11.308 -0.482 1.00 0.00 N ATOM 790 CA PHE A 55 4.697 -10.713 0.028 1.00 0.00 C ATOM 791 C PHE A 55 4.718 -10.786 1.544 1.00 0.00 C ATOM 792 O PHE A 55 5.776 -10.856 2.154 1.00 0.00 O ATOM 793 CB PHE A 55 4.838 -9.249 -0.430 1.00 0.00 C ATOM 794 CG PHE A 55 4.149 -8.238 0.444 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.777 -8.061 0.381 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.882 -7.447 1.314 1.00 0.00 C ATOM 797 CE1 PHE A 55 2.150 -7.119 1.171 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.260 -6.504 2.110 1.00 0.00 C ATOM 799 CZ PHE A 55 2.893 -6.339 2.036 1.00 0.00 C ATOM 0 H PHE A 55 2.743 -10.634 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 55 5.539 -11.277 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.898 -9.001 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.442 -9.161 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.191 -8.667 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.954 -7.569 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.079 -6.992 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.843 -5.898 2.788 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.404 -5.601 2.654 1.00 0.00 H new ATOM 809 N THR A 56 3.534 -10.801 2.140 1.00 0.00 N ATOM 810 CA THR A 56 3.401 -10.844 3.584 1.00 0.00 C ATOM 811 C THR A 56 3.924 -12.151 4.166 1.00 0.00 C ATOM 812 O THR A 56 4.187 -12.242 5.363 1.00 0.00 O ATOM 813 CB THR A 56 1.939 -10.628 3.997 1.00 0.00 C ATOM 814 OG1 THR A 56 1.072 -11.464 3.219 1.00 0.00 O ATOM 815 CG2 THR A 56 1.549 -9.176 3.799 1.00 0.00 C ATOM 0 H THR A 56 2.646 -10.784 1.638 1.00 0.00 H new ATOM 0 HA THR A 56 4.010 -10.035 3.989 1.00 0.00 H new ATOM 0 HB THR A 56 1.837 -10.889 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.406 -12.385 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.510 -9.035 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.190 -8.541 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.667 -8.908 2.749 1.00 0.00 H new ATOM 823 N GLU A 57 4.077 -13.161 3.319 1.00 0.00 N ATOM 824 CA GLU A 57 4.589 -14.444 3.773 1.00 0.00 C ATOM 825 C GLU A 57 6.100 -14.359 3.969 1.00 0.00 C ATOM 826 O GLU A 57 6.699 -15.183 4.664 1.00 0.00 O ATOM 827 CB GLU A 57 4.235 -15.553 2.777 1.00 0.00 C ATOM 828 CG GLU A 57 5.165 -15.662 1.585 1.00 0.00 C ATOM 829 CD GLU A 57 4.766 -16.774 0.635 1.00 0.00 C ATOM 830 OE1 GLU A 57 3.840 -16.566 -0.173 1.00 0.00 O ATOM 831 OE2 GLU A 57 5.372 -17.863 0.692 1.00 0.00 O ATOM 0 H GLU A 57 3.856 -13.117 2.324 1.00 0.00 H new ATOM 0 HA GLU A 57 4.123 -14.689 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.231 -16.507 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.221 -15.385 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.172 -14.714 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.182 -15.837 1.937 1.00 0.00 H new ATOM 838 N THR A 58 6.707 -13.342 3.364 1.00 0.00 N ATOM 839 CA THR A 58 8.137 -13.145 3.458 1.00 0.00 C ATOM 840 C THR A 58 8.449 -11.761 4.015 1.00 0.00 C ATOM 841 O THR A 58 9.596 -11.318 4.014 1.00 0.00 O ATOM 842 CB THR A 58 8.803 -13.307 2.077 1.00 0.00 C ATOM 843 OG1 THR A 58 8.277 -12.331 1.173 1.00 0.00 O ATOM 844 CG2 THR A 58 8.554 -14.696 1.514 1.00 0.00 C ATOM 0 H THR A 58 6.222 -12.642 2.802 1.00 0.00 H new ATOM 0 HA THR A 58 8.536 -13.902 4.133 1.00 0.00 H new ATOM 0 HB THR A 58 9.877 -13.166 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.552 -11.837 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.034 -14.785 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.968 -15.443 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.482 -14.858 1.406 1.00 0.00 H new ATOM 852 N ALA A 59 7.417 -11.084 4.493 1.00 0.00 N ATOM 853 CA ALA A 59 7.569 -9.751 5.046 1.00 0.00 C ATOM 854 C ALA A 59 7.156 -9.711 6.506 1.00 0.00 C ATOM 855 O ALA A 59 6.218 -10.393 6.922 1.00 0.00 O ATOM 856 CB ALA A 59 6.769 -8.740 4.245 1.00 0.00 C ATOM 0 H ALA A 59 6.461 -11.440 4.508 1.00 0.00 H new ATOM 0 HA ALA A 59 8.625 -9.487 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.898 -7.748 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.120 -8.734 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.713 -9.011 4.268 1.00 0.00 H new ATOM 862 N GLU A 60 7.867 -8.909 7.276 1.00 0.00 N ATOM 863 CA GLU A 60 7.606 -8.762 8.700 1.00 0.00 C ATOM 864 C GLU A 60 7.661 -7.292 9.065 1.00 0.00 C ATOM 865 O GLU A 60 8.128 -6.491 8.271 1.00 0.00 O ATOM 866 CB GLU A 60 8.658 -9.509 9.524 1.00 0.00 C ATOM 867 CG GLU A 60 9.377 -10.609 8.763 1.00 0.00 C ATOM 868 CD GLU A 60 10.328 -11.387 9.641 1.00 0.00 C ATOM 869 OE1 GLU A 60 9.859 -12.241 10.418 1.00 0.00 O ATOM 870 OE2 GLU A 60 11.548 -11.142 9.564 1.00 0.00 O ATOM 0 H GLU A 60 8.642 -8.340 6.935 1.00 0.00 H new ATOM 0 HA GLU A 60 6.622 -9.177 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.395 -8.793 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.176 -9.943 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.643 -11.290 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.930 -10.171 7.932 1.00 0.00 H new ATOM 877 N ASP A 61 7.188 -6.949 10.257 1.00 0.00 N ATOM 878 CA ASP A 61 7.210 -5.559 10.736 1.00 0.00 C ATOM 879 C ASP A 61 6.725 -4.607 9.652 1.00 0.00 C ATOM 880 O ASP A 61 7.429 -3.674 9.264 1.00 0.00 O ATOM 881 CB ASP A 61 8.633 -5.168 11.144 1.00 0.00 C ATOM 882 CG ASP A 61 8.678 -4.150 12.261 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.219 -4.468 13.374 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.196 -3.033 12.035 1.00 0.00 O ATOM 0 H ASP A 61 6.782 -7.612 10.917 1.00 0.00 H new ATOM 0 HA ASP A 61 6.545 -5.487 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.173 -6.062 11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.155 -4.767 10.275 1.00 0.00 H new ATOM 889 N ILE A 62 5.531 -4.856 9.154 1.00 0.00 N ATOM 890 CA ILE A 62 4.974 -4.043 8.094 1.00 0.00 C ATOM 891 C ILE A 62 4.324 -2.784 8.661 1.00 0.00 C ATOM 892 O ILE A 62 3.268 -2.837 9.286 1.00 0.00 O ATOM 893 CB ILE A 62 3.960 -4.873 7.282 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.525 -6.284 7.067 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.673 -4.201 5.953 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.790 -7.108 6.032 1.00 0.00 C ATOM 0 H ILE A 62 4.927 -5.616 9.467 1.00 0.00 H new ATOM 0 HA ILE A 62 5.778 -3.726 7.430 1.00 0.00 H new ATOM 0 HB ILE A 62 3.021 -4.943 7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.570 -6.201 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.505 -6.817 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.955 -4.798 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.259 -3.208 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.598 -4.113 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.259 -8.088 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.750 -7.228 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.831 -6.602 5.068 1.00 0.00 H new ATOM 908 N ARG A 63 4.993 -1.654 8.461 1.00 0.00 N ATOM 909 CA ARG A 63 4.527 -0.363 8.933 1.00 0.00 C ATOM 910 C ARG A 63 4.087 0.520 7.774 1.00 0.00 C ATOM 911 O ARG A 63 4.895 0.874 6.911 1.00 0.00 O ATOM 912 CB ARG A 63 5.647 0.352 9.680 1.00 0.00 C ATOM 913 CG ARG A 63 5.830 -0.067 11.123 1.00 0.00 C ATOM 914 CD ARG A 63 6.442 -1.450 11.284 1.00 0.00 C ATOM 915 NE ARG A 63 5.433 -2.483 11.529 1.00 0.00 N ATOM 916 CZ ARG A 63 5.136 -2.968 12.736 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.765 -2.514 13.812 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.208 -3.908 12.866 1.00 0.00 N ATOM 0 H ARG A 63 5.882 -1.612 7.962 1.00 0.00 H new ATOM 0 HA ARG A 63 3.678 -0.540 9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.583 0.182 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.454 1.424 9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.464 0.662 11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.862 -0.047 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.005 -1.702 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.152 -1.436 12.111 1.00 0.00 H new ATOM 0 HE ARG A 63 4.925 -2.855 10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.479 -1.791 13.719 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.535 -2.888 14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.721 -4.261 12.042 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.982 -4.278 13.790 1.00 0.00 H new ATOM 932 N PHE A 64 2.822 0.896 7.764 1.00 0.00 N ATOM 933 CA PHE A 64 2.297 1.747 6.711 1.00 0.00 C ATOM 934 C PHE A 64 2.365 3.216 7.108 1.00 0.00 C ATOM 935 O PHE A 64 1.923 3.603 8.191 1.00 0.00 O ATOM 936 CB PHE A 64 0.859 1.348 6.379 1.00 0.00 C ATOM 937 CG PHE A 64 0.155 2.290 5.443 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.825 2.891 4.387 1.00 0.00 C ATOM 939 CD2 PHE A 64 -1.178 2.586 5.634 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.173 3.767 3.544 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.834 3.456 4.794 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.160 4.052 3.750 1.00 0.00 C ATOM 0 H PHE A 64 2.139 0.626 8.472 1.00 0.00 H new ATOM 0 HA PHE A 64 2.914 1.611 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.864 0.352 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.289 1.283 7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.869 2.670 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.714 2.129 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.705 4.228 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.880 3.673 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.674 4.740 3.095 1.00 0.00 H new ATOM 952 N HIS A 65 2.942 4.022 6.228 1.00 0.00 N ATOM 953 CA HIS A 65 3.049 5.456 6.455 1.00 0.00 C ATOM 954 C HIS A 65 2.415 6.200 5.276 1.00 0.00 C ATOM 955 O HIS A 65 3.084 6.529 4.298 1.00 0.00 O ATOM 956 CB HIS A 65 4.512 5.863 6.646 1.00 0.00 C ATOM 957 CG HIS A 65 4.682 7.184 7.328 1.00 0.00 C ATOM 958 ND1 HIS A 65 5.188 8.355 6.881 1.00 0.00 N flip ATOM 959 CD2 HIS A 65 4.316 7.406 8.637 1.00 0.00 C flip ATOM 960 CE1 HIS A 65 5.120 9.251 7.918 1.00 0.00 C flip ATOM 961 NE2 HIS A 65 4.590 8.653 8.963 1.00 0.00 N flip ATOM 0 H HIS A 65 3.345 3.705 5.346 1.00 0.00 H new ATOM 0 HA HIS A 65 2.515 5.722 7.368 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.021 5.095 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 65 5.000 5.901 5.672 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.873 6.672 9.294 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.448 10.279 7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.420 9.082 9.872 1.00 0.00 H new ATOM 970 N PRO A 66 1.099 6.456 5.373 1.00 0.00 N ATOM 971 CA PRO A 66 0.303 7.123 4.320 1.00 0.00 C ATOM 972 C PRO A 66 0.757 8.517 3.958 1.00 0.00 C ATOM 973 O PRO A 66 0.646 8.951 2.817 1.00 0.00 O ATOM 974 CB PRO A 66 -1.092 7.223 4.931 1.00 0.00 C ATOM 975 CG PRO A 66 -0.907 7.023 6.392 1.00 0.00 C ATOM 976 CD PRO A 66 0.270 6.108 6.537 1.00 0.00 C ATOM 0 HA PRO A 66 0.383 6.553 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.542 8.194 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.757 6.467 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.728 7.973 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.799 6.586 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.799 6.275 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.028 5.060 6.522 1.00 0.00 H new ATOM 984 N LYS A 67 1.203 9.225 4.943 1.00 0.00 N ATOM 985 CA LYS A 67 1.642 10.593 4.743 1.00 0.00 C ATOM 986 C LYS A 67 3.042 10.840 5.276 1.00 0.00 C ATOM 987 O LYS A 67 3.226 11.179 6.445 1.00 0.00 O ATOM 988 CB LYS A 67 0.652 11.565 5.380 1.00 0.00 C ATOM 989 CG LYS A 67 -0.708 11.560 4.707 1.00 0.00 C ATOM 990 CD LYS A 67 -1.774 10.915 5.572 1.00 0.00 C ATOM 991 CE LYS A 67 -3.163 11.169 5.007 1.00 0.00 C ATOM 992 NZ LYS A 67 -3.472 12.624 4.925 1.00 0.00 N ATOM 0 H LYS A 67 1.278 8.889 5.903 1.00 0.00 H new ATOM 0 HA LYS A 67 1.676 10.764 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.530 11.311 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.066 12.573 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.001 12.584 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.640 11.026 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.595 9.842 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.712 11.310 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.238 10.726 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.906 10.675 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.501 12.757 4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.122 13.102 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.009 13.031 4.087 1.00 0.00 H new ATOM 1006 N GLU A 68 4.022 10.635 4.411 1.00 0.00 N ATOM 1007 CA GLU A 68 5.414 10.881 4.754 1.00 0.00 C ATOM 1008 C GLU A 68 5.673 12.376 4.896 1.00 0.00 C ATOM 1009 O GLU A 68 5.638 13.119 3.909 1.00 0.00 O ATOM 1010 CB GLU A 68 6.355 10.278 3.704 1.00 0.00 C ATOM 1011 CG GLU A 68 7.784 10.791 3.796 1.00 0.00 C ATOM 1012 CD GLU A 68 8.760 9.943 3.010 1.00 0.00 C ATOM 1013 OE1 GLU A 68 9.263 8.942 3.564 1.00 0.00 O ATOM 1014 OE2 GLU A 68 9.045 10.273 1.840 1.00 0.00 O ATOM 0 H GLU A 68 3.878 10.297 3.460 1.00 0.00 H new ATOM 0 HA GLU A 68 5.614 10.397 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.360 9.194 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.963 10.496 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.822 11.816 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.090 10.816 4.842 1.00 0.00 H new ATOM 1021 N GLY A 69 5.894 12.800 6.136 1.00 0.00 N ATOM 1022 CA GLY A 69 6.175 14.190 6.432 1.00 0.00 C ATOM 1023 C GLY A 69 5.088 15.131 5.959 1.00 0.00 C ATOM 1024 O GLY A 69 3.910 14.768 5.909 1.00 0.00 O ATOM 0 H GLY A 69 5.882 12.191 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.305 14.307 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.119 14.471 5.965 1.00 0.00 H new ATOM 1028 N ALA A 70 5.491 16.339 5.598 1.00 0.00 N ATOM 1029 CA ALA A 70 4.564 17.348 5.111 1.00 0.00 C ATOM 1030 C ALA A 70 4.311 17.141 3.624 1.00 0.00 C ATOM 1031 O ALA A 70 3.550 17.876 2.995 1.00 0.00 O ATOM 1032 CB ALA A 70 5.109 18.743 5.376 1.00 0.00 C ATOM 0 H ALA A 70 6.463 16.646 5.634 1.00 0.00 H new ATOM 0 HA ALA A 70 3.618 17.248 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.403 19.486 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.251 18.881 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.064 18.864 4.865 1.00 0.00 H new ATOM 1038 N ALA A 71 4.975 16.133 3.070 1.00 0.00 N ATOM 1039 CA ALA A 71 4.841 15.799 1.664 1.00 0.00 C ATOM 1040 C ALA A 71 3.645 14.883 1.443 1.00 0.00 C ATOM 1041 O ALA A 71 3.114 14.781 0.338 1.00 0.00 O ATOM 1042 CB ALA A 71 6.117 15.140 1.158 1.00 0.00 C ATOM 0 H ALA A 71 5.617 15.529 3.583 1.00 0.00 H new ATOM 0 HA ALA A 71 4.675 16.718 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.005 14.894 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.955 15.825 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.305 14.228 1.725 1.00 0.00 H new ATOM 1048 N GLU A 72 3.230 14.239 2.537 1.00 0.00 N ATOM 1049 CA GLU A 72 2.105 13.306 2.547 1.00 0.00 C ATOM 1050 C GLU A 72 2.281 12.200 1.514 1.00 0.00 C ATOM 1051 O GLU A 72 1.334 11.824 0.825 1.00 0.00 O ATOM 1052 CB GLU A 72 0.776 14.038 2.331 1.00 0.00 C ATOM 1053 CG GLU A 72 0.440 15.013 3.446 1.00 0.00 C ATOM 1054 CD GLU A 72 -0.988 15.515 3.376 1.00 0.00 C ATOM 1055 OE1 GLU A 72 -1.258 16.460 2.607 1.00 0.00 O ATOM 1056 OE2 GLU A 72 -1.850 14.971 4.099 1.00 0.00 O ATOM 0 H GLU A 72 3.672 14.353 3.449 1.00 0.00 H new ATOM 0 HA GLU A 72 2.083 12.841 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.816 14.578 1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.025 13.304 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.603 14.528 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.122 15.862 3.398 1.00 0.00 H new ATOM 1063 N GLN A 73 3.492 11.669 1.436 1.00 0.00 N ATOM 1064 CA GLN A 73 3.798 10.603 0.490 1.00 0.00 C ATOM 1065 C GLN A 73 3.557 9.243 1.130 1.00 0.00 C ATOM 1066 O GLN A 73 4.230 8.881 2.092 1.00 0.00 O ATOM 1067 CB GLN A 73 5.249 10.711 0.015 1.00 0.00 C ATOM 1068 CG GLN A 73 5.544 11.989 -0.754 1.00 0.00 C ATOM 1069 CD GLN A 73 4.829 12.043 -2.090 1.00 0.00 C ATOM 1070 OE1 GLN A 73 3.690 12.496 -2.186 1.00 0.00 O ATOM 1071 NE2 GLN A 73 5.504 11.595 -3.136 1.00 0.00 N ATOM 0 H GLN A 73 4.280 11.958 2.016 1.00 0.00 H new ATOM 0 HA GLN A 73 3.139 10.707 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.911 10.656 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.480 9.854 -0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.247 12.848 -0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.619 12.071 -0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.447 11.227 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.081 11.618 -4.064 1.00 0.00 H new ATOM 1080 N PRO A 74 2.577 8.483 0.627 1.00 0.00 N ATOM 1081 CA PRO A 74 2.266 7.161 1.163 1.00 0.00 C ATOM 1082 C PRO A 74 3.317 6.130 0.793 1.00 0.00 C ATOM 1083 O PRO A 74 3.488 5.780 -0.376 1.00 0.00 O ATOM 1084 CB PRO A 74 0.921 6.822 0.520 1.00 0.00 C ATOM 1085 CG PRO A 74 0.914 7.587 -0.758 1.00 0.00 C ATOM 1086 CD PRO A 74 1.683 8.853 -0.485 1.00 0.00 C ATOM 0 HA PRO A 74 2.239 7.156 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.825 5.751 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.090 7.114 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.379 7.013 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.105 7.809 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.245 9.177 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.020 9.673 -0.210 1.00 0.00 H new ATOM 1094 N ILE A 75 4.043 5.661 1.792 1.00 0.00 N ATOM 1095 CA ILE A 75 5.066 4.661 1.571 1.00 0.00 C ATOM 1096 C ILE A 75 4.906 3.549 2.598 1.00 0.00 C ATOM 1097 O ILE A 75 4.557 3.796 3.756 1.00 0.00 O ATOM 1098 CB ILE A 75 6.508 5.251 1.609 1.00 0.00 C ATOM 1099 CG1 ILE A 75 7.032 5.404 3.040 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.560 6.590 0.888 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.942 4.267 3.467 1.00 0.00 C ATOM 0 H ILE A 75 3.942 5.958 2.763 1.00 0.00 H new ATOM 0 HA ILE A 75 4.932 4.261 0.566 1.00 0.00 H new ATOM 0 HB ILE A 75 7.156 4.541 1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.574 6.346 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.187 5.462 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.575 6.985 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.262 6.455 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.880 7.291 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.279 4.435 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.396 3.325 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.805 4.223 2.803 1.00 0.00 H new ATOM 1113 N LEU A 76 5.125 2.330 2.165 1.00 0.00 N ATOM 1114 CA LEU A 76 4.998 1.180 3.037 1.00 0.00 C ATOM 1115 C LEU A 76 6.352 0.512 3.220 1.00 0.00 C ATOM 1116 O LEU A 76 6.996 0.138 2.242 1.00 0.00 O ATOM 1117 CB LEU A 76 3.966 0.217 2.428 1.00 0.00 C ATOM 1118 CG LEU A 76 3.662 -1.065 3.209 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.592 -2.190 2.785 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.771 -0.825 4.699 1.00 0.00 C ATOM 0 H LEU A 76 5.394 2.105 1.207 1.00 0.00 H new ATOM 0 HA LEU A 76 4.653 1.486 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.031 0.762 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.313 -0.066 1.434 1.00 0.00 H new ATOM 0 HG LEU A 76 2.638 -1.361 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.357 -3.090 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.462 -2.388 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.625 -1.900 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.551 -1.749 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.782 -0.497 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.059 -0.055 4.997 1.00 0.00 H new ATOM 1132 N ARG A 77 6.800 0.392 4.466 1.00 0.00 N ATOM 1133 CA ARG A 77 8.077 -0.244 4.733 1.00 0.00 C ATOM 1134 C ARG A 77 7.882 -1.479 5.608 1.00 0.00 C ATOM 1135 O ARG A 77 7.057 -1.482 6.524 1.00 0.00 O ATOM 1136 CB ARG A 77 9.075 0.735 5.373 1.00 0.00 C ATOM 1137 CG ARG A 77 8.989 0.868 6.889 1.00 0.00 C ATOM 1138 CD ARG A 77 7.805 1.702 7.348 1.00 0.00 C ATOM 1139 NE ARG A 77 7.788 3.030 6.733 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.208 4.137 7.351 1.00 0.00 C ATOM 1141 NH1 ARG A 77 8.737 4.066 8.567 1.00 0.00 N ATOM 1142 NH2 ARG A 77 8.122 5.314 6.746 1.00 0.00 N ATOM 0 H ARG A 77 6.303 0.723 5.293 1.00 0.00 H new ATOM 0 HA ARG A 77 8.501 -0.558 3.779 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.085 0.419 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.924 1.720 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.919 -0.126 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.909 1.319 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.880 1.180 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.836 1.807 8.432 1.00 0.00 H new ATOM 0 HE ARG A 77 7.436 3.115 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.824 3.163 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.056 4.914 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.734 5.376 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.444 6.157 7.222 1.00 0.00 H new ATOM 1156 N ALA A 78 8.630 -2.526 5.302 1.00 0.00 N ATOM 1157 CA ALA A 78 8.552 -3.781 6.039 1.00 0.00 C ATOM 1158 C ALA A 78 9.846 -4.566 5.883 1.00 0.00 C ATOM 1159 O ALA A 78 10.660 -4.259 5.016 1.00 0.00 O ATOM 1160 CB ALA A 78 7.380 -4.612 5.541 1.00 0.00 C ATOM 0 H ALA A 78 9.307 -2.533 4.539 1.00 0.00 H new ATOM 0 HA ALA A 78 8.402 -3.554 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.333 -5.547 6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.453 -4.057 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.512 -4.829 4.481 1.00 0.00 H new ATOM 1166 N ARG A 79 10.025 -5.589 6.710 1.00 0.00 N ATOM 1167 CA ARG A 79 11.221 -6.420 6.644 1.00 0.00 C ATOM 1168 C ARG A 79 10.992 -7.500 5.603 1.00 0.00 C ATOM 1169 O ARG A 79 10.138 -8.363 5.778 1.00 0.00 O ATOM 1170 CB ARG A 79 11.534 -7.099 7.992 1.00 0.00 C ATOM 1171 CG ARG A 79 11.196 -6.285 9.235 1.00 0.00 C ATOM 1172 CD ARG A 79 11.760 -4.880 9.180 1.00 0.00 C ATOM 1173 NE ARG A 79 11.615 -4.178 10.452 1.00 0.00 N ATOM 1174 CZ ARG A 79 12.616 -3.580 11.090 1.00 0.00 C ATOM 1175 NH1 ARG A 79 13.843 -3.608 10.582 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.386 -2.954 12.235 1.00 0.00 N ATOM 0 H ARG A 79 9.359 -5.863 7.433 1.00 0.00 H new ATOM 0 HA ARG A 79 12.065 -5.780 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.989 -8.042 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.596 -7.343 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.113 -6.234 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.585 -6.795 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.815 -4.924 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.253 -4.317 8.396 1.00 0.00 H new ATOM 0 HE ARG A 79 10.688 -4.144 10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.019 -4.089 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.609 -3.148 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.443 -2.932 12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.152 -2.494 12.727 1.00 0.00 H new ATOM 1190 N LEU A 80 11.761 -7.452 4.535 1.00 0.00 N ATOM 1191 CA LEU A 80 11.626 -8.407 3.450 1.00 0.00 C ATOM 1192 C LEU A 80 12.670 -9.507 3.554 1.00 0.00 C ATOM 1193 O LEU A 80 13.864 -9.242 3.682 1.00 0.00 O ATOM 1194 CB LEU A 80 11.731 -7.686 2.103 1.00 0.00 C ATOM 1195 CG LEU A 80 10.415 -7.132 1.543 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.551 -6.539 2.636 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.684 -6.108 0.457 1.00 0.00 C ATOM 0 H LEU A 80 12.493 -6.756 4.393 1.00 0.00 H new ATOM 0 HA LEU A 80 10.645 -8.876 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.436 -6.862 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.153 -8.377 1.373 1.00 0.00 H new ATOM 0 HG LEU A 80 9.866 -7.965 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.627 -6.156 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.315 -7.308 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.088 -5.725 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.737 -5.728 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.266 -5.284 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.243 -6.576 -0.354 1.00 0.00 H new ATOM 1209 N ARG A 81 12.198 -10.739 3.513 1.00 0.00 N ATOM 1210 CA ARG A 81 13.058 -11.910 3.603 1.00 0.00 C ATOM 1211 C ARG A 81 13.629 -12.270 2.238 1.00 0.00 C ATOM 1212 O ARG A 81 12.959 -12.122 1.217 1.00 0.00 O ATOM 1213 CB ARG A 81 12.265 -13.080 4.208 1.00 0.00 C ATOM 1214 CG ARG A 81 12.996 -14.415 4.229 1.00 0.00 C ATOM 1215 CD ARG A 81 12.511 -15.338 3.124 1.00 0.00 C ATOM 1216 NE ARG A 81 12.917 -16.727 3.350 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.270 -17.581 4.151 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.190 -17.194 4.819 1.00 0.00 N ATOM 1219 NH2 ARG A 81 12.704 -18.827 4.280 1.00 0.00 N ATOM 0 H ARG A 81 11.207 -10.959 3.416 1.00 0.00 H new ATOM 0 HA ARG A 81 13.903 -11.687 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.987 -12.820 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.339 -13.200 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.067 -14.245 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.848 -14.896 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.424 -15.284 3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.906 -14.996 2.167 1.00 0.00 H new ATOM 0 HE ARG A 81 13.748 -17.065 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.847 -16.238 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.703 -17.852 5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.531 -19.134 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.211 -19.478 4.891 1.00 0.00 H new ATOM 1233 N ASP A 82 14.878 -12.714 2.224 1.00 0.00 N ATOM 1234 CA ASP A 82 15.537 -13.098 0.980 1.00 0.00 C ATOM 1235 C ASP A 82 15.504 -14.612 0.815 1.00 0.00 C ATOM 1236 O ASP A 82 15.108 -15.319 1.739 1.00 0.00 O ATOM 1237 CB ASP A 82 16.983 -12.593 0.948 1.00 0.00 C ATOM 1238 CG ASP A 82 17.969 -13.610 1.481 1.00 0.00 C ATOM 1239 OD1 ASP A 82 17.839 -14.017 2.654 1.00 0.00 O ATOM 1240 OD2 ASP A 82 18.872 -14.016 0.724 1.00 0.00 O ATOM 0 H ASP A 82 15.456 -12.818 3.058 1.00 0.00 H new ATOM 0 HA ASP A 82 14.998 -12.639 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 82 17.251 -12.336 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 82 17.057 -11.678 1.536 1.00 0.00 H new ATOM 1245 N CYS A 83 15.935 -15.108 -0.333 1.00 0.00 N ATOM 1246 CA CYS A 83 15.935 -16.544 -0.597 1.00 0.00 C ATOM 1247 C CYS A 83 16.742 -17.327 0.448 1.00 0.00 C ATOM 1248 O CYS A 83 16.451 -18.494 0.718 1.00 0.00 O ATOM 1249 CB CYS A 83 16.486 -16.822 -1.998 1.00 0.00 C ATOM 1250 SG CYS A 83 16.441 -18.564 -2.486 1.00 0.00 S ATOM 0 H CYS A 83 16.291 -14.539 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 83 14.901 -16.885 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.916 -16.240 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 83 17.516 -16.470 -2.046 1.00 0.00 H new ATOM 0 HG CYS A 83 16.427 -19.312 -1.423 1.00 0.00 H new ATOM 1256 N ASN A 84 17.737 -16.690 1.052 1.00 0.00 N ATOM 1257 CA ASN A 84 18.558 -17.368 2.054 1.00 0.00 C ATOM 1258 C ASN A 84 17.803 -17.495 3.374 1.00 0.00 C ATOM 1259 O ASN A 84 18.024 -18.432 4.141 1.00 0.00 O ATOM 1260 CB ASN A 84 19.875 -16.622 2.274 1.00 0.00 C ATOM 1261 CG ASN A 84 20.831 -17.368 3.190 1.00 0.00 C ATOM 1262 OD1 ASN A 84 20.799 -17.206 4.413 1.00 0.00 O ATOM 1263 ND2 ASN A 84 21.697 -18.179 2.602 1.00 0.00 N ATOM 0 H ASN A 84 17.995 -15.720 0.871 1.00 0.00 H new ATOM 0 HA ASN A 84 18.783 -18.367 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.358 -16.456 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.664 -15.640 2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.372 -18.699 3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.690 -18.284 1.587 1.00 0.00 H new ATOM 1270 N GLY A 85 16.895 -16.562 3.621 1.00 0.00 N ATOM 1271 CA GLY A 85 16.105 -16.604 4.836 1.00 0.00 C ATOM 1272 C GLY A 85 16.435 -15.492 5.815 1.00 0.00 C ATOM 1273 O GLY A 85 16.415 -15.707 7.027 1.00 0.00 O ATOM 0 H GLY A 85 16.691 -15.777 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.048 -16.545 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.259 -17.565 5.326 1.00 0.00 H new ATOM 1277 N GLU A 86 16.725 -14.302 5.307 1.00 0.00 N ATOM 1278 CA GLU A 86 17.042 -13.172 6.173 1.00 0.00 C ATOM 1279 C GLU A 86 15.870 -12.214 6.195 1.00 0.00 C ATOM 1280 O GLU A 86 14.783 -12.555 5.759 1.00 0.00 O ATOM 1281 CB GLU A 86 18.297 -12.428 5.694 1.00 0.00 C ATOM 1282 CG GLU A 86 18.093 -11.639 4.406 1.00 0.00 C ATOM 1283 CD GLU A 86 19.263 -10.736 4.072 1.00 0.00 C ATOM 1284 OE1 GLU A 86 20.320 -11.249 3.654 1.00 0.00 O ATOM 1285 OE2 GLU A 86 19.129 -9.502 4.219 1.00 0.00 O ATOM 0 H GLU A 86 16.748 -14.094 4.309 1.00 0.00 H new ATOM 0 HA GLU A 86 17.238 -13.557 7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.625 -11.746 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.100 -13.150 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.931 -12.334 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.190 -11.036 4.495 1.00 0.00 H new ATOM 1292 N PHE A 87 16.089 -11.029 6.718 1.00 0.00 N ATOM 1293 CA PHE A 87 15.061 -10.013 6.763 1.00 0.00 C ATOM 1294 C PHE A 87 15.710 -8.654 6.594 1.00 0.00 C ATOM 1295 O PHE A 87 16.694 -8.336 7.258 1.00 0.00 O ATOM 1296 CB PHE A 87 14.252 -10.088 8.068 1.00 0.00 C ATOM 1297 CG PHE A 87 15.069 -9.933 9.325 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.751 -11.011 9.866 1.00 0.00 C ATOM 1299 CD2 PHE A 87 15.147 -8.708 9.969 1.00 0.00 C ATOM 1300 CE1 PHE A 87 16.498 -10.871 11.021 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.892 -8.561 11.123 1.00 0.00 C ATOM 1302 CZ PHE A 87 16.568 -9.644 11.650 1.00 0.00 C ATOM 0 H PHE A 87 16.980 -10.743 7.123 1.00 0.00 H new ATOM 0 HA PHE A 87 14.355 -10.180 5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.487 -9.312 8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.734 -11.046 8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.698 -11.974 9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.619 -7.858 9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.026 -11.720 11.430 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.946 -7.600 11.613 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.150 -9.531 12.553 1.00 0.00 H new ATOM 1312 N HIS A 88 15.182 -7.874 5.678 1.00 0.00 N ATOM 1313 CA HIS A 88 15.726 -6.559 5.400 1.00 0.00 C ATOM 1314 C HIS A 88 14.600 -5.569 5.180 1.00 0.00 C ATOM 1315 O HIS A 88 13.812 -5.720 4.249 1.00 0.00 O ATOM 1316 CB HIS A 88 16.627 -6.620 4.169 1.00 0.00 C ATOM 1317 CG HIS A 88 17.990 -6.045 4.390 1.00 0.00 C ATOM 1318 ND1 HIS A 88 19.127 -6.820 4.481 1.00 0.00 N ATOM 1319 CD2 HIS A 88 18.400 -4.762 4.524 1.00 0.00 C ATOM 1320 CE1 HIS A 88 20.175 -6.038 4.665 1.00 0.00 C ATOM 1321 NE2 HIS A 88 19.762 -4.786 4.693 1.00 0.00 N ATOM 0 H HIS A 88 14.373 -8.126 5.110 1.00 0.00 H new ATOM 0 HA HIS A 88 16.319 -6.229 6.253 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.728 -7.659 3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.145 -6.085 3.351 1.00 0.00 H new ATOM 0 HD1 HIS A 88 19.154 -7.838 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.773 -3.883 4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 88 21.198 -6.368 4.774 1.00 0.00 H new ATOM 1330 N ASP A 89 14.526 -4.563 6.030 1.00 0.00 N ATOM 1331 CA ASP A 89 13.473 -3.563 5.931 1.00 0.00 C ATOM 1332 C ASP A 89 13.607 -2.727 4.664 1.00 0.00 C ATOM 1333 O ASP A 89 14.588 -2.011 4.469 1.00 0.00 O ATOM 1334 CB ASP A 89 13.445 -2.658 7.175 1.00 0.00 C ATOM 1335 CG ASP A 89 14.764 -1.963 7.451 1.00 0.00 C ATOM 1336 OD1 ASP A 89 15.731 -2.652 7.828 1.00 0.00 O ATOM 1337 OD2 ASP A 89 14.831 -0.720 7.322 1.00 0.00 O ATOM 0 H ASP A 89 15.181 -4.414 6.798 1.00 0.00 H new ATOM 0 HA ASP A 89 12.526 -4.100 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.667 -1.905 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.171 -3.257 8.043 1.00 0.00 H new ATOM 1342 N ARG A 90 12.633 -2.876 3.779 1.00 0.00 N ATOM 1343 CA ARG A 90 12.595 -2.113 2.543 1.00 0.00 C ATOM 1344 C ARG A 90 11.367 -1.220 2.569 1.00 0.00 C ATOM 1345 O ARG A 90 10.533 -1.355 3.464 1.00 0.00 O ATOM 1346 CB ARG A 90 12.544 -3.046 1.334 1.00 0.00 C ATOM 1347 CG ARG A 90 13.732 -3.986 1.246 1.00 0.00 C ATOM 1348 CD ARG A 90 15.042 -3.229 1.080 1.00 0.00 C ATOM 1349 NE ARG A 90 16.175 -4.140 0.903 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.444 -3.807 1.128 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.757 -2.567 1.485 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.403 -4.713 0.967 1.00 0.00 N ATOM 0 H ARG A 90 11.854 -3.523 3.896 1.00 0.00 H new ATOM 0 HA ARG A 90 13.497 -1.507 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.627 -3.634 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.496 -2.447 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.778 -4.599 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.596 -4.666 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.972 -2.564 0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.213 -2.601 1.954 1.00 0.00 H new ATOM 0 HE ARG A 90 15.979 -5.090 0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.024 -1.865 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.731 -2.316 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.166 -5.660 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.376 -4.461 1.139 1.00 0.00 H new ATOM 1366 N ASP A 91 11.238 -0.330 1.601 1.00 0.00 N ATOM 1367 CA ASP A 91 10.100 0.567 1.550 1.00 0.00 C ATOM 1368 C ASP A 91 9.619 0.692 0.124 1.00 0.00 C ATOM 1369 O ASP A 91 10.410 0.629 -0.822 1.00 0.00 O ATOM 1370 CB ASP A 91 10.434 1.948 2.127 1.00 0.00 C ATOM 1371 CG ASP A 91 11.557 2.651 1.395 1.00 0.00 C ATOM 1372 OD1 ASP A 91 12.737 2.429 1.752 1.00 0.00 O ATOM 1373 OD2 ASP A 91 11.267 3.444 0.473 1.00 0.00 O ATOM 0 H ASP A 91 11.907 -0.210 0.841 1.00 0.00 H new ATOM 0 HA ASP A 91 9.307 0.144 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.542 2.573 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.707 1.838 3.177 1.00 0.00 H new ATOM 1378 N VAL A 92 8.326 0.851 -0.031 1.00 0.00 N ATOM 1379 CA VAL A 92 7.741 0.958 -1.347 1.00 0.00 C ATOM 1380 C VAL A 92 6.860 2.190 -1.445 1.00 0.00 C ATOM 1381 O VAL A 92 6.280 2.643 -0.457 1.00 0.00 O ATOM 1382 CB VAL A 92 6.939 -0.310 -1.708 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.666 -0.425 -0.886 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.649 -0.357 -3.192 1.00 0.00 C ATOM 0 H VAL A 92 7.658 0.909 0.738 1.00 0.00 H new ATOM 0 HA VAL A 92 8.555 1.056 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 92 7.555 -1.174 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.130 -1.331 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.920 -0.471 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.034 0.444 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.083 -1.259 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.067 0.520 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.588 -0.365 -3.746 1.00 0.00 H new ATOM 1394 N ASN A 93 6.773 2.721 -2.646 1.00 0.00 N ATOM 1395 CA ASN A 93 5.988 3.913 -2.909 1.00 0.00 C ATOM 1396 C ASN A 93 4.542 3.554 -3.212 1.00 0.00 C ATOM 1397 O ASN A 93 4.222 3.117 -4.316 1.00 0.00 O ATOM 1398 CB ASN A 93 6.601 4.686 -4.079 1.00 0.00 C ATOM 1399 CG ASN A 93 7.833 5.471 -3.675 1.00 0.00 C ATOM 1400 OD1 ASN A 93 7.922 5.978 -2.557 1.00 0.00 O ATOM 1401 ND2 ASN A 93 8.799 5.568 -4.577 1.00 0.00 N ATOM 0 H ASN A 93 7.243 2.341 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 93 5.999 4.542 -2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.864 3.988 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.857 5.369 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.655 6.077 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.687 5.133 -5.493 1.00 0.00 H new ATOM 1408 N LEU A 94 3.661 3.772 -2.242 1.00 0.00 N ATOM 1409 CA LEU A 94 2.245 3.461 -2.413 1.00 0.00 C ATOM 1410 C LEU A 94 1.565 4.501 -3.295 1.00 0.00 C ATOM 1411 O LEU A 94 0.365 4.424 -3.547 1.00 0.00 O ATOM 1412 CB LEU A 94 1.521 3.362 -1.067 1.00 0.00 C ATOM 1413 CG LEU A 94 2.018 2.266 -0.119 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.927 1.888 0.863 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.475 1.038 -0.887 1.00 0.00 C ATOM 0 H LEU A 94 3.901 4.162 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 94 2.185 2.488 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.608 4.322 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.461 3.197 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 94 2.873 2.660 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.293 1.108 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.644 2.763 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.058 1.520 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.822 0.279 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.643 0.642 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.289 1.311 -1.558 1.00 0.00 H new ATOM 1427 N ASN A 95 2.345 5.476 -3.755 1.00 0.00 N ATOM 1428 CA ASN A 95 1.842 6.525 -4.645 1.00 0.00 C ATOM 1429 C ASN A 95 1.324 5.900 -5.934 1.00 0.00 C ATOM 1430 O ASN A 95 0.544 6.504 -6.664 1.00 0.00 O ATOM 1431 CB ASN A 95 2.947 7.533 -4.991 1.00 0.00 C ATOM 1432 CG ASN A 95 3.624 8.115 -3.770 1.00 0.00 C ATOM 1433 OD1 ASN A 95 4.726 7.506 -3.365 1.00 0.00 O flip ATOM 1434 ND2 ASN A 95 3.174 9.113 -3.209 1.00 0.00 N flip ATOM 0 H ASN A 95 3.335 5.563 -3.525 1.00 0.00 H new ATOM 0 HA ASN A 95 1.037 7.048 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.695 7.043 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.520 8.343 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.320 9.551 -3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.654 9.502 -2.398 1.00 0.00 H new ATOM 1441 N ARG A 96 1.777 4.677 -6.197 1.00 0.00 N ATOM 1442 CA ARG A 96 1.380 3.935 -7.385 1.00 0.00 C ATOM 1443 C ARG A 96 -0.109 3.596 -7.340 1.00 0.00 C ATOM 1444 O ARG A 96 -0.730 3.339 -8.366 1.00 0.00 O ATOM 1445 CB ARG A 96 2.203 2.645 -7.507 1.00 0.00 C ATOM 1446 CG ARG A 96 3.584 2.817 -8.139 1.00 0.00 C ATOM 1447 CD ARG A 96 4.452 3.836 -7.412 1.00 0.00 C ATOM 1448 NE ARG A 96 4.208 5.199 -7.870 1.00 0.00 N ATOM 1449 CZ ARG A 96 5.138 6.156 -7.921 1.00 0.00 C ATOM 1450 NH1 ARG A 96 6.394 5.890 -7.585 1.00 0.00 N ATOM 1451 NH2 ARG A 96 4.812 7.372 -8.329 1.00 0.00 N ATOM 0 H ARG A 96 2.428 4.176 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 96 1.568 4.563 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.326 2.215 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.637 1.925 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.095 1.854 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.466 3.125 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.260 3.775 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.503 3.587 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 96 3.263 5.437 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.654 4.950 -7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.100 6.625 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.851 7.577 -8.604 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.521 8.104 -8.368 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.671 3.592 -6.137 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.077 3.279 -5.943 1.00 0.00 C ATOM 1467 C ILE A 97 -2.955 4.502 -6.188 1.00 0.00 C ATOM 1468 O ILE A 97 -2.721 5.578 -5.632 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.319 2.748 -4.519 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.410 1.552 -4.255 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -3.780 2.357 -4.327 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.025 1.403 -2.806 1.00 0.00 C ATOM 0 H ILE A 97 -0.167 3.804 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.346 2.509 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.086 3.539 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.913 0.643 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.506 1.652 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.927 1.985 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.414 3.229 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.045 1.578 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.378 0.533 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.495 2.297 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.923 1.271 -2.203 1.00 0.00 H new ATOM 1484 N GLN A 98 -3.960 4.328 -7.029 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.886 5.391 -7.355 1.00 0.00 C ATOM 1486 C GLN A 98 -6.294 4.991 -6.946 1.00 0.00 C ATOM 1487 O GLN A 98 -6.546 3.828 -6.622 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.847 5.676 -8.850 1.00 0.00 C ATOM 1489 CG GLN A 98 -3.475 6.062 -9.365 1.00 0.00 C ATOM 1490 CD GLN A 98 -3.503 6.482 -10.818 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -3.669 7.661 -11.131 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -3.356 5.525 -11.719 1.00 0.00 N ATOM 0 H GLN A 98 -4.154 3.446 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.596 6.291 -6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.191 4.792 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.548 6.479 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.079 6.879 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.795 5.219 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.220 4.559 -11.420 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.378 5.753 -12.713 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.202 5.950 -6.962 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.588 5.699 -6.598 1.00 0.00 C ATOM 1503 C ASN A 99 -9.502 5.847 -7.807 1.00 0.00 C ATOM 1504 O ASN A 99 -9.561 6.911 -8.425 1.00 0.00 O ATOM 1505 CB ASN A 99 -9.023 6.663 -5.493 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.517 6.620 -5.235 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -11.001 5.805 -4.458 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -11.256 7.507 -5.883 1.00 0.00 N ATOM 0 H ASN A 99 -7.004 6.916 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.665 4.675 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.492 6.418 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.735 7.678 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.266 7.528 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.815 8.169 -6.522 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.216 4.781 -8.137 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.135 4.796 -9.267 1.00 0.00 C ATOM 1517 C VAL A 100 -12.577 4.692 -8.781 1.00 0.00 C ATOM 1518 O VAL A 100 -13.083 3.597 -8.529 1.00 0.00 O ATOM 1519 CB VAL A 100 -10.847 3.648 -10.257 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.793 3.713 -11.446 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.401 3.689 -10.723 1.00 0.00 C ATOM 0 H VAL A 100 -10.177 3.893 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.988 5.742 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.013 2.704 -9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.573 2.895 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.822 3.627 -11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.663 4.664 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.220 2.871 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.206 4.639 -11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.739 3.586 -9.863 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.211 5.848 -8.620 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.602 5.941 -8.169 1.00 0.00 C ATOM 1533 C ASN A 101 -14.788 5.312 -6.788 1.00 0.00 C ATOM 1534 O ASN A 101 -15.882 4.882 -6.428 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.552 5.289 -9.179 1.00 0.00 C ATOM 1536 CG ASN A 101 -17.001 5.694 -8.956 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.282 6.794 -8.473 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.929 4.816 -9.303 1.00 0.00 N ATOM 0 H ASN A 101 -12.776 6.753 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.846 7.001 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.251 5.567 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.465 4.205 -9.108 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.916 5.039 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.657 3.916 -9.699 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.719 5.257 -6.015 1.00 0.00 N ATOM 1546 CA GLY A 102 -13.814 4.704 -4.679 1.00 0.00 C ATOM 1547 C GLY A 102 -13.158 3.345 -4.534 1.00 0.00 C ATOM 1548 O GLY A 102 -13.472 2.598 -3.609 1.00 0.00 O ATOM 0 H GLY A 102 -12.790 5.583 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.353 5.397 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.865 4.621 -4.403 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.250 3.012 -5.440 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.558 1.733 -5.374 1.00 0.00 C ATOM 1554 C ARG A 103 -10.053 1.947 -5.487 1.00 0.00 C ATOM 1555 O ARG A 103 -9.599 2.790 -6.261 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.052 0.787 -6.477 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.444 1.049 -7.846 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.082 0.180 -8.914 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.478 0.544 -9.145 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.342 -0.216 -9.819 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -13.975 -1.410 -10.265 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -15.581 0.211 -10.030 1.00 0.00 N ATOM 0 H ARG A 103 -11.977 3.605 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.776 1.271 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.831 -0.240 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.136 0.870 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.571 2.100 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.372 0.857 -7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.522 0.277 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.024 -0.866 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.811 1.432 -8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.029 -1.750 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.639 -1.988 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.874 1.122 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.240 -0.372 -10.546 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.291 1.201 -4.706 1.00 0.00 N ATOM 1577 CA LEU A 104 -7.838 1.310 -4.724 1.00 0.00 C ATOM 1578 C LEU A 104 -7.235 0.405 -5.795 1.00 0.00 C ATOM 1579 O LEU A 104 -7.479 -0.802 -5.811 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.264 0.953 -3.351 1.00 0.00 C ATOM 1581 CG LEU A 104 -7.654 1.897 -2.213 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -6.979 1.473 -0.918 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -7.301 3.334 -2.561 1.00 0.00 C ATOM 0 H LEU A 104 -9.653 0.510 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.578 2.341 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.587 -0.055 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.177 0.930 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.733 1.840 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.267 2.155 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.289 0.460 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.897 1.500 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.587 3.989 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.227 3.414 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.835 3.632 -3.463 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.454 0.996 -6.694 1.00 0.00 N ATOM 1596 CA VAL A 105 -5.806 0.251 -7.767 1.00 0.00 C ATOM 1597 C VAL A 105 -4.304 0.546 -7.796 1.00 0.00 C ATOM 1598 O VAL A 105 -3.884 1.702 -7.797 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.447 0.561 -9.144 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.408 2.051 -9.451 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -5.769 -0.239 -10.250 1.00 0.00 C ATOM 0 H VAL A 105 -6.254 1.996 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.951 -0.810 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.494 0.260 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.865 2.234 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.958 2.595 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.373 2.392 -9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.236 -0.005 -11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.711 0.019 -10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.875 -1.304 -10.046 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.507 -0.510 -7.806 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.052 -0.392 -7.805 1.00 0.00 C ATOM 1613 C PHE A 106 -1.504 -0.188 -9.218 1.00 0.00 C ATOM 1614 O PHE A 106 -2.077 -0.692 -10.188 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.423 -1.648 -7.183 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.362 -2.827 -8.121 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.521 -3.449 -8.563 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.140 -3.302 -8.570 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.460 -4.522 -9.432 1.00 0.00 C ATOM 1620 CE2 PHE A 106 -0.074 -4.376 -9.437 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.235 -4.986 -9.870 1.00 0.00 C ATOM 0 H PHE A 106 -3.846 -1.472 -7.815 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.790 0.483 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.413 -1.410 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.994 -1.929 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.482 -3.091 -8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.772 -2.827 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.370 -4.997 -9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.885 -4.738 -9.776 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.185 -5.824 -10.550 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.413 0.578 -9.311 1.00 0.00 N ATOM 1632 CA GLN A 107 0.271 0.859 -10.575 1.00 0.00 C ATOM 1633 C GLN A 107 -0.540 1.819 -11.442 1.00 0.00 C ATOM 1634 O GLN A 107 -1.420 1.358 -12.196 1.00 0.00 O ATOM 1635 CB GLN A 107 0.576 -0.441 -11.336 1.00 0.00 C ATOM 1636 CG GLN A 107 1.458 -0.251 -12.560 1.00 0.00 C ATOM 1637 CD GLN A 107 1.706 -1.547 -13.313 1.00 0.00 C ATOM 1638 OE1 GLN A 107 0.736 -2.447 -13.284 1.00 0.00 O flip ATOM 1639 NE2 GLN A 107 2.762 -1.732 -13.924 1.00 0.00 N flip ATOM 1640 OXT GLN A 107 -0.293 3.036 -11.364 1.00 0.00 O ATOM 0 H GLN A 107 0.023 1.024 -8.504 1.00 0.00 H new ATOM 0 HA GLN A 107 1.218 1.343 -10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.061 -1.142 -10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.364 -0.897 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.991 0.470 -13.231 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.413 0.173 -12.252 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.485 -1.013 -13.922 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.912 -2.604 -14.431 1.00 0.00 H new TER 1649 GLN A 107