USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 757 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 72 GLN :FLIP amide:sc= 0.785 F(o=0.75,f=2.2) USER MOD Set 1.2: A 75 ASN :FLIP amide:sc= 0.684 F(o=0.36,f=2.2) USER MOD Set 1.3: A 76 THR OG1 : rot 77:sc= 0.768 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.989 K(o=-2.7,f=-5.3) USER MOD Set 2.2: A 37 MET CE :methyl -118:sc= -1.69 (180deg=-3.41!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -120:sc= -1.41 (180deg=-4.81!) USER MOD Set 3.2: A 8 LYS NZ :NH3+ 147:sc= -0.866 (180deg=-1.35!) USER MOD Single : A 7 ASN : amide:sc= -0.287 K(o=-0.29,f=-4.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00823 X(o=-0.0082,f=-0.18) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.235! F(o=-1,f=-0.24!) USER MOD Single : A 28 ASN : amide:sc=-0.00467 X(o=-0.0047,f=-0.18) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0675 (180deg=-0.553) USER MOD Single : A 46 ASN : amide:sc= 0.029 X(o=0.029,f=0) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.786 USER MOD Single : A 50 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 85:sc= -1.54! USER MOD Single : A 54 GLN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.198 K(o=0.2,f=-0.33) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.59) USER MOD Single : A 79 ASN : amide:sc= -0.0053 X(o=-0.0053,f=-0.091) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc=-0.00135 (180deg=-0.0816) USER MOD Single : A 85 TYR OH : rot 57:sc= -2.03! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 75:sc= 0.314 USER MOD Single : A 92 HIS : no HE2:sc= -0.216 K(o=-0.22,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 4.046 26.525 -4.056 1.00 0.00 N ATOM 2 CA LEU A 3 4.733 27.551 -3.228 1.00 0.00 C ATOM 3 C LEU A 3 5.231 26.957 -1.914 1.00 0.00 C ATOM 4 O LEU A 3 4.618 26.043 -1.363 1.00 0.00 O ATOM 5 CB LEU A 3 3.750 28.691 -2.951 1.00 0.00 C ATOM 6 CG LEU A 3 2.443 28.269 -2.276 1.00 0.00 C ATOM 7 CD1 LEU A 3 2.048 29.270 -1.201 1.00 0.00 C ATOM 8 CD2 LEU A 3 1.333 28.125 -3.307 1.00 0.00 C ATOM 0 HA LEU A 3 5.602 27.925 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.244 29.431 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.512 29.182 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 3 2.599 27.301 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.116 28.952 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.833 29.323 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.911 30.253 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.411 27.824 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.179 29.079 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.613 27.368 -4.040 1.00 0.00 H new ATOM 22 N LEU A 4 6.346 27.484 -1.418 1.00 0.00 N ATOM 23 CA LEU A 4 6.926 27.009 -0.169 1.00 0.00 C ATOM 24 C LEU A 4 7.323 25.539 -0.274 1.00 0.00 C ATOM 25 O LEU A 4 6.473 24.666 -0.447 1.00 0.00 O ATOM 26 CB LEU A 4 5.937 27.205 0.984 1.00 0.00 C ATOM 27 CG LEU A 4 6.332 28.275 2.001 1.00 0.00 C ATOM 28 CD1 LEU A 4 5.094 28.907 2.620 1.00 0.00 C ATOM 29 CD2 LEU A 4 7.224 27.680 3.080 1.00 0.00 C ATOM 0 H LEU A 4 6.865 28.241 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 4 7.825 27.593 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.963 27.463 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.818 26.256 1.506 1.00 0.00 H new ATOM 0 HG LEU A 4 6.891 29.053 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.395 29.666 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.491 29.368 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.507 28.139 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.496 28.456 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.689 26.882 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.127 27.275 2.623 1.00 0.00 H new ATOM 41 N LYS A 5 8.622 25.272 -0.161 1.00 0.00 N ATOM 42 CA LYS A 5 9.132 23.907 -0.237 1.00 0.00 C ATOM 43 C LYS A 5 8.592 23.056 0.912 1.00 0.00 C ATOM 44 O LYS A 5 8.636 21.828 0.859 1.00 0.00 O ATOM 45 CB LYS A 5 10.661 23.911 -0.208 1.00 0.00 C ATOM 46 CG LYS A 5 11.286 22.769 -0.992 1.00 0.00 C ATOM 47 CD LYS A 5 11.669 23.203 -2.398 1.00 0.00 C ATOM 48 CE LYS A 5 10.547 22.932 -3.388 1.00 0.00 C ATOM 49 NZ LYS A 5 9.507 23.998 -3.360 1.00 0.00 N ATOM 0 H LYS A 5 9.339 25.983 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 5 8.793 23.471 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.021 24.858 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.997 23.857 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.171 22.408 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.585 21.936 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.908 24.266 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.569 22.673 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.961 22.856 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.087 21.971 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.589 23.581 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.768 24.719 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.437 24.439 -4.299 1.00 0.00 H new ATOM 63 N ALA A 6 8.085 23.719 1.947 1.00 0.00 N ATOM 64 CA ALA A 6 7.538 23.020 3.104 1.00 0.00 C ATOM 65 C ALA A 6 6.352 22.151 2.704 1.00 0.00 C ATOM 66 O ALA A 6 6.267 20.985 3.091 1.00 0.00 O ATOM 67 CB ALA A 6 7.132 24.013 4.183 1.00 0.00 C ATOM 0 H ALA A 6 8.042 24.736 2.008 1.00 0.00 H new ATOM 0 HA ALA A 6 8.315 22.369 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.726 23.474 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.004 24.587 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.375 24.690 3.788 1.00 0.00 H new ATOM 73 N ASN A 7 5.442 22.719 1.921 1.00 0.00 N ATOM 74 CA ASN A 7 4.270 21.984 1.464 1.00 0.00 C ATOM 75 C ASN A 7 4.693 20.802 0.600 1.00 0.00 C ATOM 76 O ASN A 7 4.350 19.651 0.884 1.00 0.00 O ATOM 77 CB ASN A 7 3.338 22.904 0.673 1.00 0.00 C ATOM 78 CG ASN A 7 2.197 23.435 1.519 1.00 0.00 C ATOM 79 OD1 ASN A 7 1.104 22.871 1.531 1.00 0.00 O ATOM 80 ND2 ASN A 7 2.448 24.527 2.232 1.00 0.00 N ATOM 0 H ASN A 7 5.493 23.683 1.591 1.00 0.00 H new ATOM 0 HA ASN A 7 3.734 21.610 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.911 23.741 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.932 22.360 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.719 24.931 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.370 24.962 2.192 1.00 0.00 H new ATOM 87 N LYS A 8 5.451 21.093 -0.453 1.00 0.00 N ATOM 88 CA LYS A 8 5.931 20.059 -1.358 1.00 0.00 C ATOM 89 C LYS A 8 6.758 19.024 -0.601 1.00 0.00 C ATOM 90 O LYS A 8 6.779 17.850 -0.966 1.00 0.00 O ATOM 91 CB LYS A 8 6.766 20.680 -2.479 1.00 0.00 C ATOM 92 CG LYS A 8 5.990 20.895 -3.768 1.00 0.00 C ATOM 93 CD LYS A 8 6.763 21.765 -4.747 1.00 0.00 C ATOM 94 CE LYS A 8 8.050 21.092 -5.195 1.00 0.00 C ATOM 95 NZ LYS A 8 8.973 22.047 -5.867 1.00 0.00 N ATOM 0 H LYS A 8 5.745 22.038 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 8 5.067 19.560 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.161 21.637 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.622 20.036 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.774 19.931 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.031 21.363 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.141 21.977 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.995 22.722 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.549 20.652 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.814 20.275 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.957 21.779 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.812 22.021 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.796 23.009 -5.513 1.00 0.00 H new ATOM 109 N ASP A 9 7.431 19.466 0.459 1.00 0.00 N ATOM 110 CA ASP A 9 8.247 18.566 1.262 1.00 0.00 C ATOM 111 C ASP A 9 7.365 17.554 1.976 1.00 0.00 C ATOM 112 O ASP A 9 7.665 16.359 1.994 1.00 0.00 O ATOM 113 CB ASP A 9 9.076 19.356 2.278 1.00 0.00 C ATOM 114 CG ASP A 9 9.977 18.463 3.107 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.095 18.153 2.643 1.00 0.00 O ATOM 116 OD2 ASP A 9 9.567 18.073 4.220 1.00 0.00 O ATOM 0 H ASP A 9 7.426 20.435 0.778 1.00 0.00 H new ATOM 0 HA ASP A 9 8.929 18.033 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.683 20.093 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.407 19.907 2.939 1.00 0.00 H new ATOM 121 N LEU A 10 6.267 18.034 2.549 1.00 0.00 N ATOM 122 CA LEU A 10 5.336 17.160 3.244 1.00 0.00 C ATOM 123 C LEU A 10 4.793 16.115 2.280 1.00 0.00 C ATOM 124 O LEU A 10 4.737 14.925 2.602 1.00 0.00 O ATOM 125 CB LEU A 10 4.185 17.966 3.849 1.00 0.00 C ATOM 126 CG LEU A 10 3.347 17.221 4.889 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.896 17.461 6.287 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.890 17.648 4.804 1.00 0.00 C ATOM 0 H LEU A 10 6.003 19.019 2.545 1.00 0.00 H new ATOM 0 HA LEU A 10 5.867 16.660 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.595 18.864 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.528 18.293 3.043 1.00 0.00 H new ATOM 0 HG LEU A 10 3.404 16.153 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.287 16.923 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.925 17.104 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.870 18.528 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.308 17.108 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.813 18.719 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.502 17.423 3.810 1.00 0.00 H new ATOM 140 N ILE A 11 4.412 16.561 1.086 1.00 0.00 N ATOM 141 CA ILE A 11 3.895 15.648 0.079 1.00 0.00 C ATOM 142 C ILE A 11 4.952 14.607 -0.268 1.00 0.00 C ATOM 143 O ILE A 11 4.697 13.405 -0.187 1.00 0.00 O ATOM 144 CB ILE A 11 3.472 16.394 -1.204 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.514 17.537 -0.864 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.825 15.431 -2.189 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.271 17.087 -0.127 1.00 0.00 C ATOM 0 H ILE A 11 4.452 17.538 0.797 1.00 0.00 H new ATOM 0 HA ILE A 11 3.013 15.161 0.496 1.00 0.00 H new ATOM 0 HB ILE A 11 4.362 16.817 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.041 18.272 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.218 18.038 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.532 15.973 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.536 14.648 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.943 14.982 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.639 17.950 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.721 16.374 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.556 16.612 0.812 1.00 0.00 H new ATOM 159 N SER A 12 6.144 15.069 -0.646 1.00 0.00 N ATOM 160 CA SER A 12 7.237 14.168 -0.993 1.00 0.00 C ATOM 161 C SER A 12 7.462 13.144 0.112 1.00 0.00 C ATOM 162 O SER A 12 7.840 12.007 -0.151 1.00 0.00 O ATOM 163 CB SER A 12 8.522 14.961 -1.240 1.00 0.00 C ATOM 164 OG SER A 12 8.635 15.338 -2.601 1.00 0.00 O ATOM 0 H SER A 12 6.375 16.060 -0.719 1.00 0.00 H new ATOM 0 HA SER A 12 6.966 13.639 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.530 15.851 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.385 14.360 -0.953 1.00 0.00 H new ATOM 0 HG SER A 12 9.463 15.845 -2.732 1.00 0.00 H new ATOM 170 N ALA A 13 7.227 13.558 1.350 1.00 0.00 N ATOM 171 CA ALA A 13 7.402 12.665 2.488 1.00 0.00 C ATOM 172 C ALA A 13 6.358 11.560 2.455 1.00 0.00 C ATOM 173 O ALA A 13 6.678 10.386 2.631 1.00 0.00 O ATOM 174 CB ALA A 13 7.343 13.436 3.798 1.00 0.00 C ATOM 0 H ALA A 13 6.917 14.499 1.591 1.00 0.00 H new ATOM 0 HA ALA A 13 8.389 12.206 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.476 12.747 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.135 14.185 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.375 13.930 3.886 1.00 0.00 H new ATOM 180 N GLY A 14 5.119 11.939 2.179 1.00 0.00 N ATOM 181 CA GLY A 14 4.060 10.954 2.068 1.00 0.00 C ATOM 182 C GLY A 14 4.260 10.108 0.830 1.00 0.00 C ATOM 183 O GLY A 14 3.865 8.943 0.774 1.00 0.00 O ATOM 0 H GLY A 14 4.828 12.905 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.050 10.319 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.092 11.453 2.023 1.00 0.00 H new ATOM 187 N LEU A 15 4.901 10.721 -0.159 1.00 0.00 N ATOM 188 CA LEU A 15 5.194 10.053 -1.412 1.00 0.00 C ATOM 189 C LEU A 15 6.255 8.988 -1.204 1.00 0.00 C ATOM 190 O LEU A 15 6.009 7.809 -1.432 1.00 0.00 O ATOM 191 CB LEU A 15 5.636 11.057 -2.472 1.00 0.00 C ATOM 192 CG LEU A 15 4.588 11.373 -3.541 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.257 10.127 -4.348 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.332 11.947 -2.900 1.00 0.00 C ATOM 0 H LEU A 15 5.228 11.686 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 15 4.283 9.570 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.918 11.986 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.530 10.674 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 15 5.000 12.120 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.510 10.371 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.160 9.759 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.864 9.357 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.596 12.166 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.917 11.222 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.582 12.864 -2.367 1.00 0.00 H new ATOM 206 N LYS A 16 7.436 9.403 -0.771 1.00 0.00 N ATOM 207 CA LYS A 16 8.523 8.463 -0.537 1.00 0.00 C ATOM 208 C LYS A 16 8.107 7.431 0.500 1.00 0.00 C ATOM 209 O LYS A 16 8.467 6.257 0.406 1.00 0.00 O ATOM 210 CB LYS A 16 9.782 9.207 -0.082 1.00 0.00 C ATOM 211 CG LYS A 16 10.891 8.294 0.417 1.00 0.00 C ATOM 212 CD LYS A 16 12.064 9.092 0.973 1.00 0.00 C ATOM 213 CE LYS A 16 12.307 8.788 2.445 1.00 0.00 C ATOM 214 NZ LYS A 16 12.163 10.000 3.298 1.00 0.00 N ATOM 0 H LYS A 16 7.666 10.377 -0.576 1.00 0.00 H new ATOM 0 HA LYS A 16 8.749 7.947 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.161 9.802 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.513 9.904 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.499 7.634 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.236 7.659 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.963 8.863 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.870 10.157 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.603 8.025 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.308 8.375 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.337 9.748 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.851 10.719 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.200 10.381 3.201 1.00 0.00 H new ATOM 228 N GLU A 17 7.334 7.873 1.481 1.00 0.00 N ATOM 229 CA GLU A 17 6.853 6.984 2.527 1.00 0.00 C ATOM 230 C GLU A 17 6.008 5.872 1.926 1.00 0.00 C ATOM 231 O GLU A 17 6.203 4.694 2.227 1.00 0.00 O ATOM 232 CB GLU A 17 6.038 7.763 3.560 1.00 0.00 C ATOM 233 CG GLU A 17 6.883 8.388 4.657 1.00 0.00 C ATOM 234 CD GLU A 17 7.422 7.360 5.633 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.646 6.900 6.498 1.00 0.00 O ATOM 236 OE2 GLU A 17 8.618 7.015 5.532 1.00 0.00 O ATOM 0 H GLU A 17 7.027 8.841 1.574 1.00 0.00 H new ATOM 0 HA GLU A 17 7.715 6.541 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.479 8.549 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.307 7.094 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.716 8.928 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.285 9.120 5.199 1.00 0.00 H new ATOM 243 N PHE A 18 5.057 6.254 1.081 1.00 0.00 N ATOM 244 CA PHE A 18 4.172 5.287 0.447 1.00 0.00 C ATOM 245 C PHE A 18 4.911 4.460 -0.602 1.00 0.00 C ATOM 246 O PHE A 18 4.822 3.235 -0.606 1.00 0.00 O ATOM 247 CB PHE A 18 2.975 5.997 -0.190 1.00 0.00 C ATOM 248 CG PHE A 18 1.710 5.177 -0.211 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.413 4.289 0.816 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.814 5.299 -1.260 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.249 3.543 0.792 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.351 4.556 -1.288 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.634 3.677 -0.262 1.00 0.00 C ATOM 0 H PHE A 18 4.880 7.224 0.820 1.00 0.00 H new ATOM 0 HA PHE A 18 3.813 4.608 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.785 6.923 0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.233 6.273 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.099 4.180 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.029 5.984 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.030 2.856 1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.040 4.663 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.544 3.095 -0.283 1.00 0.00 H new ATOM 263 N SER A 19 5.639 5.130 -1.488 1.00 0.00 N ATOM 264 CA SER A 19 6.382 4.438 -2.537 1.00 0.00 C ATOM 265 C SER A 19 7.319 3.396 -1.939 1.00 0.00 C ATOM 266 O SER A 19 7.309 2.230 -2.339 1.00 0.00 O ATOM 267 CB SER A 19 7.182 5.442 -3.371 1.00 0.00 C ATOM 268 OG SER A 19 6.439 5.875 -4.498 1.00 0.00 O ATOM 0 H SER A 19 5.731 6.146 -1.502 1.00 0.00 H new ATOM 0 HA SER A 19 5.666 3.930 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.448 6.301 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.115 4.985 -3.700 1.00 0.00 H new ATOM 0 HG SER A 19 6.971 6.517 -5.013 1.00 0.00 H new ATOM 274 N VAL A 20 8.123 3.822 -0.974 1.00 0.00 N ATOM 275 CA VAL A 20 9.061 2.927 -0.317 1.00 0.00 C ATOM 276 C VAL A 20 8.328 1.862 0.491 1.00 0.00 C ATOM 277 O VAL A 20 8.784 0.726 0.582 1.00 0.00 O ATOM 278 CB VAL A 20 10.020 3.696 0.611 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.049 2.757 1.226 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.706 4.824 -0.147 1.00 0.00 C ATOM 0 H VAL A 20 8.143 4.782 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 20 9.643 2.446 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 20 9.435 4.132 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.715 3.323 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.539 1.989 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.631 2.286 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.380 5.356 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.275 4.410 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.955 5.515 -0.530 1.00 0.00 H new ATOM 290 N LEU A 21 7.194 2.230 1.081 1.00 0.00 N ATOM 291 CA LEU A 21 6.420 1.286 1.882 1.00 0.00 C ATOM 292 C LEU A 21 5.855 0.161 1.017 1.00 0.00 C ATOM 293 O LEU A 21 5.945 -1.013 1.377 1.00 0.00 O ATOM 294 CB LEU A 21 5.282 2.018 2.599 1.00 0.00 C ATOM 295 CG LEU A 21 4.306 1.115 3.359 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.435 1.331 4.860 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.877 1.372 2.903 1.00 0.00 C ATOM 0 H LEU A 21 6.793 3.166 1.021 1.00 0.00 H new ATOM 0 HA LEU A 21 7.087 0.842 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.715 2.731 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.721 2.595 1.863 1.00 0.00 H new ATOM 0 HG LEU A 21 4.556 0.077 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.734 0.681 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.452 1.096 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.212 2.371 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.197 0.722 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.616 2.413 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.793 1.165 1.836 1.00 0.00 H new ATOM 309 N LEU A 22 5.276 0.524 -0.124 1.00 0.00 N ATOM 310 CA LEU A 22 4.704 -0.468 -1.031 1.00 0.00 C ATOM 311 C LEU A 22 5.797 -1.378 -1.579 1.00 0.00 C ATOM 312 O LEU A 22 5.610 -2.588 -1.703 1.00 0.00 O ATOM 313 CB LEU A 22 3.957 0.208 -2.189 1.00 0.00 C ATOM 314 CG LEU A 22 3.107 1.423 -1.797 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.330 2.568 -2.773 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.632 1.057 -1.741 1.00 0.00 C ATOM 0 H LEU A 22 5.190 1.490 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 22 3.991 -1.067 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.686 0.521 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.310 -0.530 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 22 3.418 1.746 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.719 3.421 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.382 2.855 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.050 2.250 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.050 1.935 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.307 0.703 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.480 0.270 -1.002 1.00 0.00 H new ATOM 328 N ASN A 23 6.937 -0.781 -1.912 1.00 0.00 N ATOM 329 CA ASN A 23 8.064 -1.530 -2.455 1.00 0.00 C ATOM 330 C ASN A 23 8.905 -2.185 -1.356 1.00 0.00 C ATOM 331 O ASN A 23 9.700 -3.082 -1.634 1.00 0.00 O ATOM 332 CB ASN A 23 8.949 -0.611 -3.299 1.00 0.00 C ATOM 333 CG ASN A 23 8.496 -0.537 -4.744 1.00 0.00 C ATOM 334 OD1 ASN A 23 8.302 -1.561 -5.400 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.325 0.679 -5.247 1.00 0.00 N ATOM 0 H ASN A 23 7.105 0.220 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 23 7.653 -2.325 -3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.943 0.390 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.978 -0.968 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.021 0.793 -6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.498 1.500 -4.667 1.00 0.00 H new ATOM 342 N GLN A 24 8.750 -1.728 -0.112 1.00 0.00 N ATOM 343 CA GLN A 24 9.533 -2.281 0.994 1.00 0.00 C ATOM 344 C GLN A 24 8.715 -3.199 1.898 1.00 0.00 C ATOM 345 O GLN A 24 9.219 -3.664 2.921 1.00 0.00 O ATOM 346 CB GLN A 24 10.165 -1.162 1.825 1.00 0.00 C ATOM 347 CG GLN A 24 11.291 -1.637 2.729 1.00 0.00 C ATOM 348 CD GLN A 24 10.914 -1.608 4.196 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.031 -0.438 4.816 1.00 0.00 O flip ATOM 350 NE2 GLN A 24 10.521 -2.625 4.769 1.00 0.00 N flip ATOM 0 H GLN A 24 8.100 -0.988 0.152 1.00 0.00 H new ATOM 0 HA GLN A 24 10.318 -2.886 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.549 -0.394 1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.393 -0.694 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.572 -2.653 2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.168 -1.009 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.446 -3.503 4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.271 -2.589 5.757 1.00 0.00 H new ATOM 359 N GLN A 25 7.474 -3.500 1.514 1.00 0.00 N ATOM 360 CA GLN A 25 6.654 -4.414 2.308 1.00 0.00 C ATOM 361 C GLN A 25 7.482 -5.671 2.564 1.00 0.00 C ATOM 362 O GLN A 25 8.471 -5.894 1.864 1.00 0.00 O ATOM 363 CB GLN A 25 5.362 -4.765 1.566 1.00 0.00 C ATOM 364 CG GLN A 25 4.144 -4.017 2.083 1.00 0.00 C ATOM 365 CD GLN A 25 3.707 -4.493 3.454 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.283 -5.636 3.621 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.808 -3.614 4.444 1.00 0.00 N ATOM 0 H GLN A 25 7.022 -3.133 0.676 1.00 0.00 H new ATOM 0 HA GLN A 25 6.370 -3.946 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.490 -4.546 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.183 -5.837 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.368 -2.951 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.320 -4.141 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.165 -2.677 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.528 -3.876 5.389 1.00 0.00 H new ATOM 376 N VAL A 26 7.124 -6.498 3.539 1.00 0.00 N ATOM 377 CA VAL A 26 7.905 -7.699 3.804 1.00 0.00 C ATOM 378 C VAL A 26 7.150 -8.944 3.365 1.00 0.00 C ATOM 379 O VAL A 26 5.963 -9.094 3.652 1.00 0.00 O ATOM 380 CB VAL A 26 8.261 -7.819 5.300 1.00 0.00 C ATOM 381 CG1 VAL A 26 7.000 -7.916 6.148 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.171 -9.016 5.540 1.00 0.00 C ATOM 0 H VAL A 26 6.316 -6.364 4.147 1.00 0.00 H new ATOM 0 HA VAL A 26 8.828 -7.616 3.229 1.00 0.00 H new ATOM 0 HB VAL A 26 8.799 -6.919 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.274 -8.000 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.393 -7.022 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.428 -8.795 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.411 -9.084 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.664 -9.928 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.090 -8.895 4.967 1.00 0.00 H new ATOM 392 N PHE A 27 7.843 -9.836 2.668 1.00 0.00 N ATOM 393 CA PHE A 27 7.224 -11.063 2.193 1.00 0.00 C ATOM 394 C PHE A 27 7.713 -12.264 2.992 1.00 0.00 C ATOM 395 O PHE A 27 8.769 -12.833 2.711 1.00 0.00 O ATOM 396 CB PHE A 27 7.518 -11.252 0.705 1.00 0.00 C ATOM 397 CG PHE A 27 7.122 -10.069 -0.136 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.766 -8.846 0.002 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.099 -10.180 -1.063 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.395 -7.763 -0.770 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.726 -9.100 -1.837 1.00 0.00 C ATOM 402 CZ PHE A 27 6.374 -7.890 -1.691 1.00 0.00 C ATOM 0 H PHE A 27 8.827 -9.732 2.421 1.00 0.00 H new ATOM 0 HA PHE A 27 6.146 -10.985 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.583 -11.442 0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.990 -12.136 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.565 -8.741 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.587 -11.123 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.903 -6.817 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.927 -9.202 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.083 -7.044 -2.296 1.00 0.00 H new ATOM 412 N ASN A 28 6.930 -12.631 3.999 1.00 0.00 N ATOM 413 CA ASN A 28 7.263 -13.754 4.863 1.00 0.00 C ATOM 414 C ASN A 28 6.012 -14.502 5.301 1.00 0.00 C ATOM 415 O ASN A 28 4.966 -13.898 5.540 1.00 0.00 O ATOM 416 CB ASN A 28 8.036 -13.266 6.089 1.00 0.00 C ATOM 417 CG ASN A 28 9.120 -14.236 6.515 1.00 0.00 C ATOM 418 OD1 ASN A 28 9.959 -14.639 5.709 1.00 0.00 O ATOM 419 ND2 ASN A 28 9.106 -14.618 7.787 1.00 0.00 N ATOM 0 H ASN A 28 6.055 -12.163 4.237 1.00 0.00 H new ATOM 0 HA ASN A 28 7.889 -14.442 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.485 -12.297 5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.342 -13.115 6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.810 -15.271 8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.391 -14.258 8.420 1.00 0.00 H new ATOM 426 N ASP A 29 6.131 -15.818 5.414 1.00 0.00 N ATOM 427 CA ASP A 29 5.016 -16.658 5.833 1.00 0.00 C ATOM 428 C ASP A 29 4.977 -16.778 7.359 1.00 0.00 C ATOM 429 O ASP A 29 6.024 -16.855 8.002 1.00 0.00 O ATOM 430 CB ASP A 29 5.133 -18.048 5.204 1.00 0.00 C ATOM 431 CG ASP A 29 6.496 -18.671 5.425 1.00 0.00 C ATOM 432 OD1 ASP A 29 7.456 -18.261 4.738 1.00 0.00 O ATOM 433 OD2 ASP A 29 6.606 -19.568 6.286 1.00 0.00 O ATOM 0 H ASP A 29 6.992 -16.329 5.221 1.00 0.00 H new ATOM 0 HA ASP A 29 4.090 -16.192 5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.367 -18.699 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.939 -17.977 4.134 1.00 0.00 H new ATOM 438 N PRO A 30 3.774 -16.800 7.970 1.00 0.00 N ATOM 439 CA PRO A 30 2.493 -16.712 7.254 1.00 0.00 C ATOM 440 C PRO A 30 2.338 -15.395 6.504 1.00 0.00 C ATOM 441 O PRO A 30 2.887 -14.369 6.909 1.00 0.00 O ATOM 442 CB PRO A 30 1.442 -16.824 8.365 1.00 0.00 C ATOM 443 CG PRO A 30 2.162 -16.451 9.615 1.00 0.00 C ATOM 444 CD PRO A 30 3.578 -16.911 9.425 1.00 0.00 C ATOM 0 HA PRO A 30 2.404 -17.487 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.600 -16.157 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.040 -17.835 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.120 -15.375 9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.709 -16.928 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.282 -16.286 9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.720 -17.934 9.774 1.00 0.00 H new ATOM 452 N LEU A 31 1.594 -15.433 5.406 1.00 0.00 N ATOM 453 CA LEU A 31 1.375 -14.246 4.593 1.00 0.00 C ATOM 454 C LEU A 31 -0.012 -13.667 4.835 1.00 0.00 C ATOM 455 O LEU A 31 -0.962 -14.398 5.118 1.00 0.00 O ATOM 456 CB LEU A 31 1.551 -14.578 3.112 1.00 0.00 C ATOM 457 CG LEU A 31 2.861 -15.288 2.762 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.669 -16.796 2.776 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.372 -14.826 1.407 1.00 0.00 C ATOM 0 H LEU A 31 1.132 -16.274 5.059 1.00 0.00 H new ATOM 0 HA LEU A 31 2.114 -13.499 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.718 -15.205 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.491 -13.653 2.538 1.00 0.00 H new ATOM 0 HG LEU A 31 3.605 -15.030 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.610 -17.285 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.349 -17.113 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.910 -17.073 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.304 -15.341 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.631 -15.054 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.548 -13.751 1.432 1.00 0.00 H new ATOM 471 N VAL A 32 -0.121 -12.351 4.717 1.00 0.00 N ATOM 472 CA VAL A 32 -1.390 -11.669 4.918 1.00 0.00 C ATOM 473 C VAL A 32 -2.284 -11.824 3.689 1.00 0.00 C ATOM 474 O VAL A 32 -1.792 -11.900 2.563 1.00 0.00 O ATOM 475 CB VAL A 32 -1.167 -10.173 5.234 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.980 -9.359 3.960 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.317 -9.626 6.064 1.00 0.00 C ATOM 0 H VAL A 32 0.657 -11.734 4.483 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.889 -12.129 5.771 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.250 -10.086 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.825 -8.311 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.112 -9.731 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.868 -9.452 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.143 -8.571 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.249 -9.735 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.385 -10.179 7.001 1.00 0.00 H new ATOM 487 N SER A 33 -3.594 -11.903 3.906 1.00 0.00 N ATOM 488 CA SER A 33 -4.536 -12.089 2.806 1.00 0.00 C ATOM 489 C SER A 33 -4.817 -10.782 2.074 1.00 0.00 C ATOM 490 O SER A 33 -4.375 -9.710 2.490 1.00 0.00 O ATOM 491 CB SER A 33 -5.846 -12.683 3.326 1.00 0.00 C ATOM 492 OG SER A 33 -5.644 -13.986 3.847 1.00 0.00 O ATOM 0 H SER A 33 -4.026 -11.842 4.828 1.00 0.00 H new ATOM 0 HA SER A 33 -4.078 -12.779 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.259 -12.038 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.578 -12.720 2.519 1.00 0.00 H new ATOM 0 HG SER A 33 -6.496 -14.343 4.174 1.00 0.00 H new ATOM 498 N GLU A 34 -5.542 -10.890 0.963 1.00 0.00 N ATOM 499 CA GLU A 34 -5.876 -9.734 0.138 1.00 0.00 C ATOM 500 C GLU A 34 -6.772 -8.747 0.880 1.00 0.00 C ATOM 501 O GLU A 34 -6.547 -7.538 0.831 1.00 0.00 O ATOM 502 CB GLU A 34 -6.556 -10.189 -1.153 1.00 0.00 C ATOM 503 CG GLU A 34 -6.107 -9.415 -2.380 1.00 0.00 C ATOM 504 CD GLU A 34 -6.997 -9.664 -3.582 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.861 -10.734 -4.211 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.831 -8.787 -3.896 1.00 0.00 O ATOM 0 H GLU A 34 -5.911 -11.774 0.612 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.945 -9.220 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.353 -11.249 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.635 -10.084 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.101 -8.349 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.083 -9.694 -2.627 1.00 0.00 H new ATOM 513 N GLU A 35 -7.782 -9.263 1.566 1.00 0.00 N ATOM 514 CA GLU A 35 -8.702 -8.415 2.317 1.00 0.00 C ATOM 515 C GLU A 35 -7.965 -7.683 3.430 1.00 0.00 C ATOM 516 O GLU A 35 -8.275 -6.535 3.753 1.00 0.00 O ATOM 517 CB GLU A 35 -9.840 -9.252 2.903 1.00 0.00 C ATOM 518 CG GLU A 35 -10.996 -8.420 3.436 1.00 0.00 C ATOM 519 CD GLU A 35 -12.226 -8.498 2.553 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.254 -7.809 1.512 1.00 0.00 O ATOM 521 OE2 GLU A 35 -13.160 -9.249 2.903 1.00 0.00 O ATOM 0 H GLU A 35 -7.986 -10.261 1.619 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.124 -7.678 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.214 -9.929 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.447 -9.871 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.251 -8.760 4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.681 -7.380 3.523 1.00 0.00 H new ATOM 528 N ASP A 36 -6.973 -8.354 4.001 1.00 0.00 N ATOM 529 CA ASP A 36 -6.175 -7.770 5.067 1.00 0.00 C ATOM 530 C ASP A 36 -5.257 -6.696 4.502 1.00 0.00 C ATOM 531 O ASP A 36 -5.052 -5.651 5.119 1.00 0.00 O ATOM 532 CB ASP A 36 -5.358 -8.848 5.776 1.00 0.00 C ATOM 533 CG ASP A 36 -4.793 -8.367 7.098 1.00 0.00 C ATOM 534 OD1 ASP A 36 -4.013 -7.391 7.090 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.129 -8.965 8.141 1.00 0.00 O ATOM 0 H ASP A 36 -6.703 -9.303 3.743 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.845 -7.313 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.986 -9.722 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.541 -9.166 5.128 1.00 0.00 H new ATOM 540 N MET A 37 -4.723 -6.951 3.312 1.00 0.00 N ATOM 541 CA MET A 37 -3.849 -5.993 2.654 1.00 0.00 C ATOM 542 C MET A 37 -4.649 -4.763 2.250 1.00 0.00 C ATOM 543 O MET A 37 -4.206 -3.629 2.434 1.00 0.00 O ATOM 544 CB MET A 37 -3.191 -6.620 1.423 1.00 0.00 C ATOM 545 CG MET A 37 -1.811 -6.059 1.120 1.00 0.00 C ATOM 546 SD MET A 37 -0.496 -6.964 1.960 1.00 0.00 S ATOM 547 CE MET A 37 0.710 -5.664 2.210 1.00 0.00 C ATOM 0 H MET A 37 -4.881 -7.811 2.787 1.00 0.00 H new ATOM 0 HA MET A 37 -3.063 -5.699 3.350 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.112 -7.697 1.572 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.835 -6.465 0.558 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.638 -6.090 0.044 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.775 -5.011 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.627 -5.911 1.675 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.312 -4.722 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.926 -5.567 3.274 1.00 0.00 H new ATOM 557 N VAL A 38 -5.843 -4.999 1.711 1.00 0.00 N ATOM 558 CA VAL A 38 -6.721 -3.915 1.294 1.00 0.00 C ATOM 559 C VAL A 38 -7.027 -2.995 2.469 1.00 0.00 C ATOM 560 O VAL A 38 -6.934 -1.773 2.352 1.00 0.00 O ATOM 561 CB VAL A 38 -8.043 -4.447 0.706 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.909 -3.300 0.201 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.771 -5.448 -0.408 1.00 0.00 C ATOM 0 H VAL A 38 -6.222 -5.933 1.554 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.198 -3.357 0.517 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.587 -4.959 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.837 -3.698 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.137 -2.626 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.373 -2.754 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.717 -5.811 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.202 -4.964 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.199 -6.287 -0.012 1.00 0.00 H new ATOM 573 N THR A 39 -7.385 -3.586 3.609 1.00 0.00 N ATOM 574 CA THR A 39 -7.689 -2.802 4.799 1.00 0.00 C ATOM 575 C THR A 39 -6.475 -1.968 5.202 1.00 0.00 C ATOM 576 O THR A 39 -6.591 -0.771 5.468 1.00 0.00 O ATOM 577 CB THR A 39 -8.139 -3.719 5.949 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.261 -3.167 6.614 1.00 0.00 O ATOM 579 CG2 THR A 39 -7.073 -3.979 6.996 1.00 0.00 C ATOM 0 H THR A 39 -7.470 -4.595 3.730 1.00 0.00 H new ATOM 0 HA THR A 39 -8.511 -2.122 4.574 1.00 0.00 H new ATOM 0 HB THR A 39 -8.376 -4.668 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.536 -3.763 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.475 -4.634 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.212 -4.456 6.528 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.765 -3.034 7.445 1.00 0.00 H new ATOM 587 N VAL A 40 -5.309 -2.608 5.230 1.00 0.00 N ATOM 588 CA VAL A 40 -4.072 -1.925 5.584 1.00 0.00 C ATOM 589 C VAL A 40 -3.812 -0.763 4.632 1.00 0.00 C ATOM 590 O VAL A 40 -3.469 0.338 5.059 1.00 0.00 O ATOM 591 CB VAL A 40 -2.865 -2.885 5.551 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.606 -2.181 6.036 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.146 -4.126 6.386 1.00 0.00 C ATOM 0 H VAL A 40 -5.197 -3.598 5.012 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.191 -1.549 6.600 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.703 -3.198 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.766 -2.875 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.395 -1.327 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.754 -1.835 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.283 -4.791 6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.337 -3.834 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.019 -4.643 5.988 1.00 0.00 H new ATOM 603 N VAL A 41 -3.992 -1.015 3.336 1.00 0.00 N ATOM 604 CA VAL A 41 -3.790 0.014 2.327 1.00 0.00 C ATOM 605 C VAL A 41 -4.762 1.167 2.543 1.00 0.00 C ATOM 606 O VAL A 41 -4.366 2.333 2.556 1.00 0.00 O ATOM 607 CB VAL A 41 -3.974 -0.546 0.903 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.641 0.513 -0.139 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.117 -1.789 0.702 1.00 0.00 C ATOM 0 H VAL A 41 -4.277 -1.921 2.965 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.766 0.372 2.429 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.019 -0.828 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.777 0.097 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.301 1.371 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.606 0.831 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.260 -2.170 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.067 -1.535 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.409 -2.553 1.422 1.00 0.00 H new ATOM 619 N GLU A 42 -6.038 0.833 2.721 1.00 0.00 N ATOM 620 CA GLU A 42 -7.064 1.843 2.946 1.00 0.00 C ATOM 621 C GLU A 42 -6.728 2.673 4.180 1.00 0.00 C ATOM 622 O GLU A 42 -6.791 3.902 4.149 1.00 0.00 O ATOM 623 CB GLU A 42 -8.437 1.185 3.108 1.00 0.00 C ATOM 624 CG GLU A 42 -9.493 1.755 2.175 1.00 0.00 C ATOM 625 CD GLU A 42 -10.895 1.314 2.543 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.190 0.106 2.417 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.699 2.175 2.958 1.00 0.00 O ATOM 0 H GLU A 42 -6.384 -0.127 2.714 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.096 2.502 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.342 0.114 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.770 1.306 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.441 2.844 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.275 1.445 1.153 1.00 0.00 H new ATOM 634 N ASP A 43 -6.353 1.994 5.262 1.00 0.00 N ATOM 635 CA ASP A 43 -5.989 2.673 6.498 1.00 0.00 C ATOM 636 C ASP A 43 -4.838 3.638 6.245 1.00 0.00 C ATOM 637 O ASP A 43 -4.867 4.784 6.683 1.00 0.00 O ATOM 638 CB ASP A 43 -5.597 1.657 7.572 1.00 0.00 C ATOM 639 CG ASP A 43 -6.075 2.062 8.953 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.285 1.919 9.228 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.239 2.520 9.760 1.00 0.00 O ATOM 0 H ASP A 43 -6.294 0.977 5.305 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.852 3.236 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.015 0.683 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.513 1.545 7.584 1.00 0.00 H new ATOM 646 N TRP A 44 -3.833 3.160 5.518 1.00 0.00 N ATOM 647 CA TRP A 44 -2.665 3.970 5.182 1.00 0.00 C ATOM 648 C TRP A 44 -3.087 5.196 4.382 1.00 0.00 C ATOM 649 O TRP A 44 -2.547 6.289 4.557 1.00 0.00 O ATOM 650 CB TRP A 44 -1.688 3.152 4.329 1.00 0.00 C ATOM 651 CG TRP A 44 -0.745 2.276 5.101 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.343 2.425 6.397 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.075 1.112 4.604 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.540 1.422 6.734 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.720 0.603 5.647 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.071 0.450 3.370 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.512 -0.538 5.494 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.711 -0.679 3.221 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.494 -1.162 4.277 1.00 0.00 C ATOM 0 H TRP A 44 -3.804 2.210 5.148 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.185 4.279 6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.263 2.527 3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.103 3.838 3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.669 3.213 7.060 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.987 1.307 7.643 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.669 0.816 2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.116 -0.913 6.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.719 -1.198 2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.096 -2.046 4.127 1.00 0.00 H new ATOM 670 N MET A 45 -4.042 4.992 3.480 1.00 0.00 N ATOM 671 CA MET A 45 -4.534 6.057 2.616 1.00 0.00 C ATOM 672 C MET A 45 -5.369 7.090 3.368 1.00 0.00 C ATOM 673 O MET A 45 -5.198 8.291 3.160 1.00 0.00 O ATOM 674 CB MET A 45 -5.342 5.457 1.459 1.00 0.00 C ATOM 675 CG MET A 45 -6.069 6.484 0.601 1.00 0.00 C ATOM 676 SD MET A 45 -7.284 5.734 -0.499 1.00 0.00 S ATOM 677 CE MET A 45 -6.295 4.464 -1.284 1.00 0.00 C ATOM 0 H MET A 45 -4.493 4.090 3.329 1.00 0.00 H new ATOM 0 HA MET A 45 -3.664 6.584 2.225 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.670 4.880 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.073 4.759 1.866 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.567 7.205 1.249 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.341 7.038 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.814 4.093 -2.168 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.332 4.882 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.136 3.643 -0.585 1.00 0.00 H new ATOM 687 N ASN A 46 -6.266 6.642 4.241 1.00 0.00 N ATOM 688 CA ASN A 46 -7.097 7.571 4.997 1.00 0.00 C ATOM 689 C ASN A 46 -6.269 8.251 6.075 1.00 0.00 C ATOM 690 O ASN A 46 -6.454 9.433 6.365 1.00 0.00 O ATOM 691 CB ASN A 46 -8.281 6.836 5.629 1.00 0.00 C ATOM 692 CG ASN A 46 -9.445 6.684 4.668 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.206 7.624 4.442 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.589 5.494 4.098 1.00 0.00 N ATOM 0 H ASN A 46 -6.434 5.656 4.440 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.483 8.329 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.957 5.850 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.612 7.379 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.354 5.331 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.934 4.742 4.314 1.00 0.00 H new ATOM 701 N PHE A 47 -5.346 7.495 6.658 1.00 0.00 N ATOM 702 CA PHE A 47 -4.480 8.026 7.697 1.00 0.00 C ATOM 703 C PHE A 47 -3.610 9.143 7.132 1.00 0.00 C ATOM 704 O PHE A 47 -3.462 10.194 7.752 1.00 0.00 O ATOM 705 CB PHE A 47 -3.615 6.906 8.300 1.00 0.00 C ATOM 706 CG PHE A 47 -2.161 7.254 8.458 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.729 8.016 9.531 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.230 6.815 7.532 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.392 8.334 9.676 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.107 7.130 7.671 1.00 0.00 C ATOM 711 CZ PHE A 47 0.527 7.890 8.745 1.00 0.00 C ATOM 0 H PHE A 47 -5.180 6.515 6.428 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.097 8.441 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.019 6.639 9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.697 6.022 7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.444 8.365 10.261 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.553 6.219 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.066 8.929 10.516 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.823 6.783 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.572 8.137 8.857 1.00 0.00 H new ATOM 721 N TYR A 48 -3.043 8.919 5.947 1.00 0.00 N ATOM 722 CA TYR A 48 -2.199 9.927 5.322 1.00 0.00 C ATOM 723 C TYR A 48 -3.036 11.114 4.867 1.00 0.00 C ATOM 724 O TYR A 48 -2.656 12.268 5.062 1.00 0.00 O ATOM 725 CB TYR A 48 -1.443 9.332 4.137 1.00 0.00 C ATOM 726 CG TYR A 48 -0.098 8.748 4.507 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.780 9.433 5.343 1.00 0.00 C ATOM 728 CD2 TYR A 48 0.296 7.510 4.018 1.00 0.00 C ATOM 729 CE1 TYR A 48 2.009 8.897 5.677 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.523 6.968 4.349 1.00 0.00 C ATOM 731 CZ TYR A 48 2.376 7.665 5.178 1.00 0.00 C ATOM 732 OH TYR A 48 3.599 7.129 5.509 1.00 0.00 O ATOM 0 H TYR A 48 -3.153 8.059 5.409 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.475 10.272 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.054 8.553 3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.298 10.106 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.496 10.398 5.736 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.368 6.961 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.679 9.441 6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.813 6.003 3.960 1.00 0.00 H new ATOM 0 HH TYR A 48 3.610 6.175 5.284 1.00 0.00 H new ATOM 742 N ILE A 49 -4.181 10.824 4.259 1.00 0.00 N ATOM 743 CA ILE A 49 -5.073 11.868 3.778 1.00 0.00 C ATOM 744 C ILE A 49 -5.431 12.842 4.903 1.00 0.00 C ATOM 745 O ILE A 49 -5.203 14.043 4.784 1.00 0.00 O ATOM 746 CB ILE A 49 -6.359 11.249 3.179 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.081 10.711 1.773 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.504 12.255 3.147 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.805 11.793 0.752 1.00 0.00 C ATOM 0 H ILE A 49 -4.512 9.874 4.088 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.553 12.422 2.997 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.664 10.424 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.226 10.036 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.937 10.122 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.390 11.785 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.723 12.589 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.219 13.112 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.617 11.337 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.668 12.455 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.931 12.368 1.058 1.00 0.00 H new ATOM 761 N ASN A 50 -5.967 12.312 6.000 1.00 0.00 N ATOM 762 CA ASN A 50 -6.336 13.141 7.146 1.00 0.00 C ATOM 763 C ASN A 50 -5.104 13.827 7.723 1.00 0.00 C ATOM 764 O ASN A 50 -5.159 14.974 8.168 1.00 0.00 O ATOM 765 CB ASN A 50 -7.010 12.287 8.222 1.00 0.00 C ATOM 766 CG ASN A 50 -8.133 13.022 8.926 1.00 0.00 C ATOM 767 OD1 ASN A 50 -8.723 13.952 8.375 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.433 12.609 10.151 1.00 0.00 N ATOM 0 H ASN A 50 -6.155 11.317 6.120 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.038 13.904 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.404 11.378 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.265 11.979 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.179 13.066 10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.918 11.834 10.568 1.00 0.00 H new ATOM 775 N TYR A 51 -3.996 13.104 7.704 1.00 0.00 N ATOM 776 CA TYR A 51 -2.722 13.599 8.208 1.00 0.00 C ATOM 777 C TYR A 51 -2.302 14.877 7.493 1.00 0.00 C ATOM 778 O TYR A 51 -1.896 15.853 8.124 1.00 0.00 O ATOM 779 CB TYR A 51 -1.666 12.507 7.998 1.00 0.00 C ATOM 780 CG TYR A 51 -0.326 12.741 8.658 1.00 0.00 C ATOM 781 CD1 TYR A 51 0.389 13.917 8.468 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.237 11.756 9.456 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.624 14.103 9.058 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.468 11.934 10.051 1.00 0.00 C ATOM 785 CZ TYR A 51 2.159 13.108 9.849 1.00 0.00 C ATOM 786 OH TYR A 51 3.389 13.289 10.438 1.00 0.00 O ATOM 0 H TYR A 51 -3.953 12.153 7.337 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.822 13.836 9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.070 11.564 8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.504 12.388 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.027 14.698 7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.299 10.832 9.614 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.168 15.023 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.888 11.157 10.672 1.00 0.00 H new ATOM 0 HH TYR A 51 3.620 12.494 10.963 1.00 0.00 H new ATOM 796 N TYR A 52 -2.368 14.846 6.171 1.00 0.00 N ATOM 797 CA TYR A 52 -1.958 15.979 5.351 1.00 0.00 C ATOM 798 C TYR A 52 -2.969 17.122 5.349 1.00 0.00 C ATOM 799 O TYR A 52 -2.580 18.280 5.223 1.00 0.00 O ATOM 800 CB TYR A 52 -1.670 15.505 3.931 1.00 0.00 C ATOM 801 CG TYR A 52 -0.631 14.414 3.905 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.547 14.546 4.627 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.835 13.247 3.187 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.493 13.545 4.637 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.110 12.240 3.186 1.00 0.00 C ATOM 806 CZ TYR A 52 1.273 12.393 3.913 1.00 0.00 C ATOM 807 OH TYR A 52 2.208 11.385 3.930 1.00 0.00 O ATOM 0 H TYR A 52 -2.704 14.043 5.639 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.050 16.387 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.591 15.141 3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.328 16.347 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.725 15.450 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.746 13.123 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.402 13.662 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.060 11.337 2.619 1.00 0.00 H new ATOM 0 HH TYR A 52 2.058 10.813 4.711 1.00 0.00 H new ATOM 817 N ARG A 53 -4.255 16.822 5.499 1.00 0.00 N ATOM 818 CA ARG A 53 -5.257 17.887 5.519 1.00 0.00 C ATOM 819 C ARG A 53 -5.019 18.809 6.708 1.00 0.00 C ATOM 820 O ARG A 53 -5.370 19.989 6.674 1.00 0.00 O ATOM 821 CB ARG A 53 -6.683 17.325 5.578 1.00 0.00 C ATOM 822 CG ARG A 53 -6.882 16.045 4.792 1.00 0.00 C ATOM 823 CD ARG A 53 -8.191 16.057 4.017 1.00 0.00 C ATOM 824 NE ARG A 53 -9.292 15.495 4.798 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.138 16.219 5.530 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.022 17.541 5.586 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.104 15.619 6.209 1.00 0.00 N ATOM 0 H ARG A 53 -4.624 15.877 5.606 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.155 18.451 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.946 17.142 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.374 18.079 5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.051 15.910 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.871 15.194 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.434 17.080 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.072 15.488 3.095 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.421 14.483 4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.281 18.010 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.674 18.087 6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.200 14.604 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.752 16.172 6.770 1.00 0.00 H new ATOM 841 N GLN A 54 -4.433 18.257 7.767 1.00 0.00 N ATOM 842 CA GLN A 54 -4.161 19.016 8.980 1.00 0.00 C ATOM 843 C GLN A 54 -2.722 19.534 9.022 1.00 0.00 C ATOM 844 O GLN A 54 -2.399 20.407 9.829 1.00 0.00 O ATOM 845 CB GLN A 54 -4.424 18.137 10.204 1.00 0.00 C ATOM 846 CG GLN A 54 -5.888 18.080 10.609 1.00 0.00 C ATOM 847 CD GLN A 54 -6.229 16.827 11.390 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.510 16.885 12.587 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.205 15.684 10.715 1.00 0.00 N ATOM 0 H GLN A 54 -4.137 17.282 7.807 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.825 19.880 8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.073 17.126 9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.838 18.512 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.129 18.956 11.212 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.510 18.127 9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.967 15.682 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.425 14.808 11.188 1.00 0.00 H new ATOM 858 N GLN A 55 -1.852 18.985 8.176 1.00 0.00 N ATOM 859 CA GLN A 55 -0.450 19.393 8.160 1.00 0.00 C ATOM 860 C GLN A 55 -0.130 20.326 6.990 1.00 0.00 C ATOM 861 O GLN A 55 0.887 20.163 6.316 1.00 0.00 O ATOM 862 CB GLN A 55 0.454 18.161 8.107 1.00 0.00 C ATOM 863 CG GLN A 55 0.418 17.332 9.379 1.00 0.00 C ATOM 864 CD GLN A 55 1.601 17.605 10.287 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.129 18.716 10.321 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.023 16.587 11.030 1.00 0.00 N ATOM 0 H GLN A 55 -2.091 18.262 7.498 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.264 19.948 9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.155 17.536 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.479 18.479 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.505 17.542 9.919 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.402 16.274 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.555 15.683 10.969 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.815 16.710 11.661 1.00 0.00 H new ATOM 875 N VAL A 56 -0.992 21.311 6.764 1.00 0.00 N ATOM 876 CA VAL A 56 -0.777 22.273 5.682 1.00 0.00 C ATOM 877 C VAL A 56 -0.691 23.697 6.221 1.00 0.00 C ATOM 878 O VAL A 56 -1.089 23.972 7.352 1.00 0.00 O ATOM 879 CB VAL A 56 -1.883 22.224 4.602 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.274 22.331 3.214 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.728 20.964 4.714 1.00 0.00 C ATOM 0 H VAL A 56 -1.840 21.466 7.309 1.00 0.00 H new ATOM 0 HA VAL A 56 0.167 21.986 5.220 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.541 23.077 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.066 22.295 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.734 23.273 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.585 21.501 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.493 20.969 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.092 20.087 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.205 20.932 5.693 1.00 0.00 H new ATOM 891 N THR A 57 -0.171 24.600 5.395 1.00 0.00 N ATOM 892 CA THR A 57 -0.028 26.003 5.763 1.00 0.00 C ATOM 893 C THR A 57 -0.449 26.884 4.591 1.00 0.00 C ATOM 894 O THR A 57 -0.678 26.384 3.490 1.00 0.00 O ATOM 895 CB THR A 57 1.417 26.309 6.161 1.00 0.00 C ATOM 896 OG1 THR A 57 2.089 25.126 6.558 1.00 0.00 O ATOM 897 CG2 THR A 57 1.528 27.303 7.298 1.00 0.00 C ATOM 0 H THR A 57 0.161 24.380 4.456 1.00 0.00 H new ATOM 0 HA THR A 57 -0.670 26.211 6.619 1.00 0.00 H new ATOM 0 HB THR A 57 1.875 26.745 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.012 25.342 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.579 27.475 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.062 28.244 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.022 26.907 8.179 1.00 0.00 H new ATOM 905 N GLY A 58 -0.543 28.192 4.815 1.00 0.00 N ATOM 906 CA GLY A 58 -0.927 29.092 3.743 1.00 0.00 C ATOM 907 C GLY A 58 -2.425 29.140 3.516 1.00 0.00 C ATOM 908 O GLY A 58 -3.210 28.848 4.419 1.00 0.00 O ATOM 0 H GLY A 58 -0.362 28.641 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.568 30.095 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.435 28.781 2.821 1.00 0.00 H new ATOM 912 N GLU A 59 -2.820 29.516 2.303 1.00 0.00 N ATOM 913 CA GLU A 59 -4.231 29.611 1.947 1.00 0.00 C ATOM 914 C GLU A 59 -4.882 28.230 1.892 1.00 0.00 C ATOM 915 O GLU A 59 -4.204 27.220 1.713 1.00 0.00 O ATOM 916 CB GLU A 59 -4.391 30.314 0.599 1.00 0.00 C ATOM 917 CG GLU A 59 -4.266 31.827 0.683 1.00 0.00 C ATOM 918 CD GLU A 59 -5.566 32.496 1.087 1.00 0.00 C ATOM 919 OE1 GLU A 59 -6.478 32.582 0.238 1.00 0.00 O ATOM 920 OE2 GLU A 59 -5.670 32.936 2.252 1.00 0.00 O ATOM 0 H GLU A 59 -2.179 29.761 1.548 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.732 30.195 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.638 29.933 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.365 30.061 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.489 32.085 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.946 32.216 -0.284 1.00 0.00 H new ATOM 927 N PRO A 60 -6.215 28.173 2.050 1.00 0.00 N ATOM 928 CA PRO A 60 -6.963 26.911 2.020 1.00 0.00 C ATOM 929 C PRO A 60 -6.972 26.258 0.639 1.00 0.00 C ATOM 930 O PRO A 60 -7.167 25.048 0.518 1.00 0.00 O ATOM 931 CB PRO A 60 -8.381 27.327 2.421 1.00 0.00 C ATOM 932 CG PRO A 60 -8.472 28.769 2.059 1.00 0.00 C ATOM 933 CD PRO A 60 -7.097 29.333 2.272 1.00 0.00 C ATOM 0 HA PRO A 60 -6.516 26.166 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.130 26.738 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.551 27.175 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.789 28.893 1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.206 29.282 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.881 30.141 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.981 29.740 3.276 1.00 0.00 H new ATOM 941 N GLN A 61 -6.767 27.062 -0.403 1.00 0.00 N ATOM 942 CA GLN A 61 -6.765 26.553 -1.771 1.00 0.00 C ATOM 943 C GLN A 61 -5.608 25.592 -2.006 1.00 0.00 C ATOM 944 O GLN A 61 -5.781 24.529 -2.608 1.00 0.00 O ATOM 945 CB GLN A 61 -6.685 27.712 -2.765 1.00 0.00 C ATOM 946 CG GLN A 61 -7.980 28.500 -2.885 1.00 0.00 C ATOM 947 CD GLN A 61 -7.741 29.972 -3.158 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.388 30.838 -2.567 1.00 0.00 O ATOM 949 NE2 GLN A 61 -6.810 30.264 -4.058 1.00 0.00 N ATOM 0 H GLN A 61 -6.601 28.065 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.696 26.007 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.885 28.387 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.415 27.321 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.585 28.078 -3.688 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.553 28.393 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.298 29.515 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.607 31.238 -4.284 1.00 0.00 H new ATOM 958 N GLU A 62 -4.429 25.960 -1.524 1.00 0.00 N ATOM 959 CA GLU A 62 -3.257 25.113 -1.687 1.00 0.00 C ATOM 960 C GLU A 62 -3.448 23.807 -0.933 1.00 0.00 C ATOM 961 O GLU A 62 -3.138 22.730 -1.447 1.00 0.00 O ATOM 962 CB GLU A 62 -1.989 25.823 -1.211 1.00 0.00 C ATOM 963 CG GLU A 62 -2.136 26.526 0.127 1.00 0.00 C ATOM 964 CD GLU A 62 -0.808 27.006 0.678 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.005 26.157 1.115 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.570 28.233 0.669 1.00 0.00 O ATOM 0 H GLU A 62 -4.260 26.831 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.139 24.897 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.182 25.093 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.691 26.554 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.808 27.377 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.598 25.846 0.842 1.00 0.00 H new ATOM 973 N ARG A 63 -3.982 23.898 0.285 1.00 0.00 N ATOM 974 CA ARG A 63 -4.224 22.703 1.077 1.00 0.00 C ATOM 975 C ARG A 63 -5.055 21.722 0.268 1.00 0.00 C ATOM 976 O ARG A 63 -4.711 20.551 0.137 1.00 0.00 O ATOM 977 CB ARG A 63 -4.985 23.063 2.345 1.00 0.00 C ATOM 978 CG ARG A 63 -4.426 24.266 3.077 1.00 0.00 C ATOM 979 CD ARG A 63 -4.678 24.142 4.563 1.00 0.00 C ATOM 980 NE ARG A 63 -3.960 25.153 5.334 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.309 25.538 6.560 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.359 24.991 7.162 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.605 26.470 7.187 1.00 0.00 N ATOM 0 H ARG A 63 -4.250 24.773 0.735 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.267 22.254 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.026 23.258 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.977 22.205 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.356 24.349 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.888 25.178 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.747 24.232 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.376 23.150 4.899 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.143 25.590 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.903 24.272 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.621 25.290 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.796 26.892 6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.872 26.765 8.126 1.00 0.00 H new ATOM 997 N ASP A 64 -6.172 22.218 -0.250 1.00 0.00 N ATOM 998 CA ASP A 64 -7.079 21.386 -1.021 1.00 0.00 C ATOM 999 C ASP A 64 -6.382 20.739 -2.212 1.00 0.00 C ATOM 1000 O ASP A 64 -6.607 19.561 -2.488 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.280 22.203 -1.495 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.532 21.361 -1.640 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.096 20.952 -0.604 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.949 21.110 -2.791 1.00 0.00 O ATOM 0 H ASP A 64 -6.468 23.189 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.425 20.587 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.469 23.010 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.045 22.667 -2.453 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.537 21.485 -2.926 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.840 20.919 -4.075 1.00 0.00 C ATOM 1011 C LYS A 65 -3.931 19.780 -3.640 1.00 0.00 C ATOM 1012 O LYS A 65 -3.721 18.820 -4.380 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.019 21.997 -4.785 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.743 22.636 -5.958 1.00 0.00 C ATOM 1015 CD LYS A 65 -4.493 24.136 -6.019 1.00 0.00 C ATOM 1016 CE LYS A 65 -3.598 24.507 -7.192 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.196 24.762 -6.761 1.00 0.00 N ATOM 0 H LYS A 65 -5.323 22.463 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.586 20.528 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.753 22.772 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.087 21.558 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.411 22.173 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.813 22.448 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.444 24.661 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.031 24.467 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.611 23.703 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.994 25.395 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.618 25.012 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.180 25.546 -6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.809 23.906 -6.314 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.403 19.889 -2.429 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.528 18.858 -1.892 1.00 0.00 C ATOM 1033 C ALA A 66 -3.331 17.616 -1.522 1.00 0.00 C ATOM 1034 O ALA A 66 -2.896 16.491 -1.759 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.772 19.380 -0.681 1.00 0.00 C ATOM 0 H ALA A 66 -3.565 20.678 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.805 18.586 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.122 18.596 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.169 20.240 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.482 19.679 0.090 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.505 17.833 -0.935 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.376 16.742 -0.518 1.00 0.00 C ATOM 1043 C LEU A 67 -5.991 16.026 -1.717 1.00 0.00 C ATOM 1044 O LEU A 67 -6.164 14.804 -1.697 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.483 17.280 0.393 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.059 17.601 1.830 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.607 18.053 1.879 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.968 18.667 2.422 1.00 0.00 C ATOM 0 H LEU A 67 -4.876 18.762 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.771 16.019 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.892 18.185 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.290 16.548 0.426 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.151 16.692 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.330 18.275 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.966 17.260 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.484 18.948 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.656 18.885 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.904 19.574 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.997 18.306 2.427 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.307 16.780 -2.765 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.892 16.196 -3.965 1.00 0.00 C ATOM 1062 C GLN A 68 -5.840 15.410 -4.736 1.00 0.00 C ATOM 1063 O GLN A 68 -6.071 14.269 -5.142 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.504 17.287 -4.852 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.480 18.139 -5.586 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.121 19.223 -6.429 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.911 20.026 -5.932 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -6.783 19.253 -7.713 1.00 0.00 N ATOM 0 H GLN A 68 -6.169 17.790 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.687 15.513 -3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.162 16.818 -5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.125 17.936 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.808 18.598 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.871 17.499 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.124 18.568 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.182 19.961 -8.329 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.679 16.026 -4.930 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.595 15.381 -5.649 1.00 0.00 C ATOM 1079 C GLU A 69 -3.150 14.127 -4.916 1.00 0.00 C ATOM 1080 O GLU A 69 -2.818 13.125 -5.542 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.415 16.340 -5.815 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.453 17.135 -7.109 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.146 17.849 -7.395 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.986 19.000 -6.937 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.283 17.257 -8.075 1.00 0.00 O ATOM 0 H GLU A 69 -4.468 16.968 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.957 15.101 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.400 17.033 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.487 15.770 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.684 16.464 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.259 17.867 -7.057 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.162 14.179 -3.589 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.774 13.028 -2.791 1.00 0.00 C ATOM 1094 C LEU A 70 -3.751 11.886 -3.006 1.00 0.00 C ATOM 1095 O LEU A 70 -3.346 10.747 -3.235 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.705 13.387 -1.310 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.560 12.721 -0.550 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.625 13.769 0.030 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.101 11.813 0.542 1.00 0.00 C ATOM 0 H LEU A 70 -3.434 15.000 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.781 12.712 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.607 14.468 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.647 13.110 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.991 12.108 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.185 13.276 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.210 14.373 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.178 14.411 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.271 11.347 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.695 12.400 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.726 11.039 0.096 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.041 12.190 -2.919 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.070 11.171 -3.095 1.00 0.00 C ATOM 1113 C ARG A 71 -5.872 10.459 -4.426 1.00 0.00 C ATOM 1114 O ARG A 71 -5.940 9.231 -4.498 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.464 11.806 -3.037 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.596 10.844 -3.371 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.708 11.540 -4.140 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.519 10.595 -4.905 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.122 10.029 -6.043 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.927 10.306 -6.549 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.923 9.182 -6.676 1.00 0.00 N ATOM 0 H ARG A 71 -5.398 13.126 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.987 10.443 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.627 12.210 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.499 12.646 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.208 10.014 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.998 10.420 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.346 12.084 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.275 12.277 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.443 10.355 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.307 10.956 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.629 9.869 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.842 8.965 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.620 8.748 -7.548 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.589 11.227 -5.471 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.342 10.643 -6.779 1.00 0.00 C ATOM 1137 C GLN A 72 -3.979 9.957 -6.781 1.00 0.00 C ATOM 1138 O GLN A 72 -3.768 8.954 -7.467 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.399 11.720 -7.866 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.480 11.479 -8.908 1.00 0.00 C ATOM 1141 CD GLN A 72 -5.918 10.991 -10.229 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -5.474 11.923 -11.064 1.00 0.00 O flip ATOM 1143 NE2 GLN A 72 -5.883 9.790 -10.495 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.526 12.244 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.115 9.904 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.569 12.689 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.431 11.772 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.190 10.745 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.034 12.403 -9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.235 9.108 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.502 9.476 -11.387 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.058 10.513 -5.996 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.709 9.978 -5.884 1.00 0.00 C ATOM 1154 C GLU A 73 -1.724 8.566 -5.313 1.00 0.00 C ATOM 1155 O GLU A 73 -1.119 7.658 -5.882 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.844 10.880 -5.002 1.00 0.00 C ATOM 1157 CG GLU A 73 0.646 10.746 -5.268 1.00 0.00 C ATOM 1158 CD GLU A 73 1.059 11.363 -6.591 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.891 10.697 -7.634 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.551 12.511 -6.582 1.00 0.00 O ATOM 0 H GLU A 73 -3.227 11.341 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.283 9.943 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.140 11.917 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.040 10.646 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.200 11.223 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.919 9.691 -5.262 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.435 8.371 -4.204 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.538 7.056 -3.591 1.00 0.00 C ATOM 1169 C LEU A 74 -3.332 6.113 -4.482 1.00 0.00 C ATOM 1170 O LEU A 74 -2.960 4.959 -4.673 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.190 7.160 -2.209 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.629 8.263 -1.306 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.152 8.110 0.114 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.107 8.242 -1.316 1.00 0.00 C ATOM 0 H LEU A 74 -2.945 9.107 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.533 6.652 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.259 7.329 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.079 6.203 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.963 9.225 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.742 8.903 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.240 8.176 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.849 7.141 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.728 9.033 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.754 7.276 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.748 8.402 -2.333 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.446 6.613 -5.005 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.316 5.813 -5.861 1.00 0.00 C ATOM 1188 C ASN A 75 -4.520 5.180 -6.997 1.00 0.00 C ATOM 1189 O ASN A 75 -4.743 4.022 -7.353 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.465 6.683 -6.402 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.623 6.614 -7.911 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.151 7.646 -8.601 1.00 0.00 O flip ATOM 1193 ND2 ASN A 75 -7.162 5.648 -8.449 1.00 0.00 N flip ATOM 0 H ASN A 75 -4.768 7.568 -4.852 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.747 5.004 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.398 6.370 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.293 7.719 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.511 4.876 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.260 5.619 -9.464 1.00 0.00 H new ATOM 1200 N THR A 76 -3.582 5.936 -7.553 1.00 0.00 N ATOM 1201 CA THR A 76 -2.750 5.427 -8.636 1.00 0.00 C ATOM 1202 C THR A 76 -1.611 4.569 -8.086 1.00 0.00 C ATOM 1203 O THR A 76 -1.386 3.451 -8.545 1.00 0.00 O ATOM 1204 CB THR A 76 -2.183 6.585 -9.458 1.00 0.00 C ATOM 1205 OG1 THR A 76 -3.217 7.461 -9.871 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.445 6.132 -10.698 1.00 0.00 C ATOM 0 H THR A 76 -3.379 6.896 -7.275 1.00 0.00 H new ATOM 0 HA THR A 76 -3.372 4.805 -9.281 1.00 0.00 H new ATOM 0 HB THR A 76 -1.478 7.090 -8.798 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.488 8.025 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.068 7.002 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.610 5.493 -10.411 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.124 5.574 -11.342 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.888 5.114 -7.111 1.00 0.00 N ATOM 1215 CA LEU A 77 0.245 4.417 -6.500 1.00 0.00 C ATOM 1216 C LEU A 77 -0.152 3.048 -5.943 1.00 0.00 C ATOM 1217 O LEU A 77 0.649 2.114 -5.951 1.00 0.00 O ATOM 1218 CB LEU A 77 0.852 5.272 -5.384 1.00 0.00 C ATOM 1219 CG LEU A 77 2.179 5.946 -5.736 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.416 7.154 -4.841 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.327 4.957 -5.615 1.00 0.00 C ATOM 0 H LEU A 77 -1.066 6.041 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 77 0.985 4.255 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.133 6.042 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.002 4.644 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 77 2.129 6.289 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.364 7.622 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.607 7.872 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.446 6.835 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.263 5.454 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.380 4.584 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.162 4.123 -6.297 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.375 2.939 -5.439 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.857 1.689 -4.856 1.00 0.00 C ATOM 1235 C ALA A 78 -2.192 0.644 -5.920 1.00 0.00 C ATOM 1236 O ALA A 78 -2.071 -0.556 -5.676 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.074 1.955 -3.983 1.00 0.00 C ATOM 0 H ALA A 78 -2.053 3.701 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.050 1.283 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.426 1.017 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.804 2.643 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.866 2.396 -4.588 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.624 1.099 -7.091 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.987 0.189 -8.175 1.00 0.00 C ATOM 1245 C ASN A 79 -1.875 -0.826 -8.463 1.00 0.00 C ATOM 1246 O ASN A 79 -2.133 -2.027 -8.540 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.311 0.981 -9.443 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.804 1.119 -9.673 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.532 0.127 -9.707 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.267 2.353 -9.833 1.00 0.00 N ATOM 0 H ASN A 79 -2.732 2.088 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.870 -0.365 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.864 1.973 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.858 0.487 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.263 2.508 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.627 3.146 -9.797 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.624 -0.361 -8.638 1.00 0.00 N ATOM 1258 CA PRO A 80 0.510 -1.244 -8.928 1.00 0.00 C ATOM 1259 C PRO A 80 0.904 -2.121 -7.743 1.00 0.00 C ATOM 1260 O PRO A 80 1.286 -3.279 -7.927 1.00 0.00 O ATOM 1261 CB PRO A 80 1.643 -0.274 -9.272 1.00 0.00 C ATOM 1262 CG PRO A 80 1.283 0.989 -8.574 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.218 1.054 -8.586 1.00 0.00 C ATOM 0 HA PRO A 80 0.271 -1.947 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.606 -0.654 -8.932 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.722 -0.123 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.666 0.994 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.715 1.852 -9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.605 1.550 -7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.589 1.610 -9.447 1.00 0.00 H new ATOM 1271 N PHE A 81 0.806 -1.584 -6.526 1.00 0.00 N ATOM 1272 CA PHE A 81 1.154 -2.342 -5.327 1.00 0.00 C ATOM 1273 C PHE A 81 0.233 -3.545 -5.170 1.00 0.00 C ATOM 1274 O PHE A 81 0.690 -4.683 -5.038 1.00 0.00 O ATOM 1275 CB PHE A 81 1.044 -1.431 -4.100 1.00 0.00 C ATOM 1276 CG PHE A 81 1.162 -2.143 -2.778 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.933 -3.288 -2.649 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.503 -1.656 -1.661 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.042 -3.933 -1.431 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.608 -2.293 -0.441 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.379 -3.434 -0.325 1.00 0.00 C ATOM 0 H PHE A 81 0.490 -0.631 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 81 2.178 -2.704 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.822 -0.669 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.086 -0.912 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.454 -3.680 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.102 -0.765 -1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.644 -4.825 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.089 -1.901 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.464 -3.935 0.628 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.071 -3.283 -5.185 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.062 -4.341 -5.046 1.00 0.00 C ATOM 1293 C LEU A 82 -1.845 -5.425 -6.093 1.00 0.00 C ATOM 1294 O LEU A 82 -2.108 -6.601 -5.843 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.475 -3.768 -5.165 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.892 -2.833 -4.028 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.123 -2.030 -4.421 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.155 -3.625 -2.755 1.00 0.00 C ATOM 0 H LEU A 82 -1.464 -2.348 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.946 -4.788 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.553 -3.226 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.183 -4.595 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.075 -2.137 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.405 -1.371 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.901 -1.433 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.947 -2.710 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.450 -2.944 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.955 -4.344 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.249 -4.155 -2.462 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.351 -5.028 -7.263 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.091 -5.977 -8.335 1.00 0.00 C ATOM 1312 C ALA A 83 0.071 -6.889 -7.966 1.00 0.00 C ATOM 1313 O ALA A 83 0.001 -8.104 -8.151 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.801 -5.241 -9.635 1.00 0.00 C ATOM 0 H ALA A 83 -1.125 -4.060 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.979 -6.592 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.608 -5.964 -10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.660 -4.627 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.074 -4.604 -9.505 1.00 0.00 H new ATOM 1320 N LYS A 84 1.138 -6.297 -7.431 1.00 0.00 N ATOM 1321 CA LYS A 84 2.308 -7.071 -7.025 1.00 0.00 C ATOM 1322 C LYS A 84 1.905 -8.136 -6.012 1.00 0.00 C ATOM 1323 O LYS A 84 2.335 -9.287 -6.100 1.00 0.00 O ATOM 1324 CB LYS A 84 3.393 -6.172 -6.418 1.00 0.00 C ATOM 1325 CG LYS A 84 3.437 -4.768 -6.998 1.00 0.00 C ATOM 1326 CD LYS A 84 4.763 -4.086 -6.704 1.00 0.00 C ATOM 1327 CE LYS A 84 5.084 -3.022 -7.741 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.509 -3.619 -9.038 1.00 0.00 N ATOM 0 H LYS A 84 1.216 -5.293 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 84 2.716 -7.547 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.232 -6.103 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.364 -6.644 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.281 -4.813 -8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.622 -4.176 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.728 -3.632 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.560 -4.830 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.207 -2.395 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.875 -2.374 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.941 -2.884 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.202 -4.374 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.681 -4.016 -9.525 1.00 0.00 H new ATOM 1342 N TYR A 85 1.064 -7.747 -5.060 1.00 0.00 N ATOM 1343 CA TYR A 85 0.596 -8.682 -4.047 1.00 0.00 C ATOM 1344 C TYR A 85 -0.424 -9.638 -4.652 1.00 0.00 C ATOM 1345 O TYR A 85 -0.486 -10.811 -4.281 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.002 -7.951 -2.845 1.00 0.00 C ATOM 1347 CG TYR A 85 0.340 -8.611 -1.527 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.660 -8.714 -1.106 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.652 -9.142 -0.713 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.982 -9.327 0.090 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.338 -9.755 0.486 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.980 -9.845 0.882 1.00 0.00 C ATOM 1353 OH TYR A 85 1.296 -10.457 2.074 1.00 0.00 O ATOM 0 H TYR A 85 0.696 -6.800 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 85 1.453 -9.254 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.358 -6.922 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.086 -7.908 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.448 -8.308 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.685 -9.075 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.013 -9.400 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.121 -10.161 1.109 1.00 0.00 H new ATOM 0 HH TYR A 85 1.797 -9.833 2.639 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.204 -9.137 -5.605 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.199 -9.960 -6.280 1.00 0.00 C ATOM 1365 C ARG A 86 -1.504 -11.113 -6.994 1.00 0.00 C ATOM 1366 O ARG A 86 -1.924 -12.266 -6.895 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.002 -9.122 -7.279 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.389 -8.747 -6.782 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.410 -9.834 -7.090 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.346 -9.426 -8.137 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.184 -9.700 -9.431 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.127 -10.383 -9.851 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.086 -9.286 -10.311 1.00 0.00 N ATOM 0 H ARG A 86 -1.166 -8.169 -5.925 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.891 -10.360 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.448 -8.211 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.097 -9.677 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.356 -8.573 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.702 -7.812 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.891 -10.741 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.964 -10.078 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.174 -8.899 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.428 -10.704 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.013 -10.587 -10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.901 -8.759 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.965 -9.494 -11.302 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.422 -10.788 -7.696 1.00 0.00 N ATOM 1388 CA ASP A 87 0.357 -11.790 -8.409 1.00 0.00 C ATOM 1389 C ASP A 87 1.093 -12.677 -7.406 1.00 0.00 C ATOM 1390 O ASP A 87 1.283 -13.872 -7.633 1.00 0.00 O ATOM 1391 CB ASP A 87 1.348 -11.111 -9.368 1.00 0.00 C ATOM 1392 CG ASP A 87 2.709 -10.857 -8.743 1.00 0.00 C ATOM 1393 OD1 ASP A 87 3.451 -11.836 -8.518 1.00 0.00 O ATOM 1394 OD2 ASP A 87 3.031 -9.679 -8.481 1.00 0.00 O ATOM 0 H ASP A 87 -0.066 -9.836 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.313 -12.413 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.473 -11.735 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.927 -10.163 -9.703 1.00 0.00 H new ATOM 1399 N PHE A 88 1.480 -12.073 -6.286 1.00 0.00 N ATOM 1400 CA PHE A 88 2.175 -12.784 -5.222 1.00 0.00 C ATOM 1401 C PHE A 88 1.241 -13.801 -4.571 1.00 0.00 C ATOM 1402 O PHE A 88 1.680 -14.842 -4.081 1.00 0.00 O ATOM 1403 CB PHE A 88 2.686 -11.794 -4.176 1.00 0.00 C ATOM 1404 CG PHE A 88 3.435 -12.438 -3.047 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.493 -13.297 -3.300 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.084 -12.181 -1.732 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.187 -13.889 -2.262 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.774 -12.769 -0.690 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.827 -13.624 -0.955 1.00 0.00 C ATOM 0 H PHE A 88 1.321 -11.084 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 88 3.026 -13.314 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.337 -11.068 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.840 -11.241 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.778 -13.506 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.262 -11.514 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.009 -14.557 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.491 -12.561 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.368 -14.084 -0.141 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.053 -13.495 -4.593 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.059 -14.385 -4.029 1.00 0.00 C ATOM 1421 C LEU A 89 -1.320 -15.538 -4.992 1.00 0.00 C ATOM 1422 O LEU A 89 -1.407 -16.698 -4.587 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.360 -13.620 -3.757 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.639 -13.295 -2.287 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.494 -14.541 -1.424 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.713 -12.190 -1.797 1.00 0.00 C ATOM 0 H LEU A 89 -0.428 -12.636 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.689 -14.782 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.336 -12.686 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.193 -14.205 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.667 -12.941 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.696 -14.288 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.202 -15.299 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.479 -14.929 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.927 -11.973 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.677 -12.513 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.872 -11.291 -2.393 1.00 0.00 H new ATOM 1438 N LYS A 90 -1.441 -15.201 -6.271 1.00 0.00 N ATOM 1439 CA LYS A 90 -1.691 -16.194 -7.309 1.00 0.00 C ATOM 1440 C LYS A 90 -0.555 -17.211 -7.376 1.00 0.00 C ATOM 1441 O LYS A 90 -0.778 -18.381 -7.685 1.00 0.00 O ATOM 1442 CB LYS A 90 -1.869 -15.513 -8.667 1.00 0.00 C ATOM 1443 CG LYS A 90 -3.270 -14.966 -8.893 1.00 0.00 C ATOM 1444 CD LYS A 90 -4.299 -16.085 -8.994 1.00 0.00 C ATOM 1445 CE LYS A 90 -5.276 -16.052 -7.830 1.00 0.00 C ATOM 1446 NZ LYS A 90 -5.726 -17.417 -7.440 1.00 0.00 N ATOM 0 H LYS A 90 -1.370 -14.243 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.610 -16.723 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.151 -14.697 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.635 -16.227 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.537 -14.298 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.286 -14.372 -9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.846 -15.993 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.789 -17.048 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.805 -15.568 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.142 -15.448 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.391 -17.349 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.199 -17.871 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.903 -17.986 -7.157 1.00 0.00 H new ATOM 1460 N SER A 91 0.668 -16.752 -7.115 1.00 0.00 N ATOM 1461 CA SER A 91 1.843 -17.619 -7.180 1.00 0.00 C ATOM 1462 C SER A 91 1.753 -18.777 -6.186 1.00 0.00 C ATOM 1463 O SER A 91 2.503 -19.748 -6.290 1.00 0.00 O ATOM 1464 CB SER A 91 3.111 -16.807 -6.914 1.00 0.00 C ATOM 1465 OG SER A 91 3.435 -15.991 -8.026 1.00 0.00 O ATOM 0 H SER A 91 0.871 -15.786 -6.857 1.00 0.00 H new ATOM 0 HA SER A 91 1.882 -18.043 -8.184 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.970 -16.184 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.940 -17.481 -6.699 1.00 0.00 H new ATOM 0 HG SER A 91 2.820 -15.229 -8.062 1.00 0.00 H new ATOM 1471 N HIS A 92 0.809 -18.699 -5.253 1.00 0.00 N ATOM 1472 CA HIS A 92 0.610 -19.776 -4.291 1.00 0.00 C ATOM 1473 C HIS A 92 0.175 -21.028 -5.043 1.00 0.00 C ATOM 1474 O HIS A 92 -0.052 -20.968 -6.252 1.00 0.00 O ATOM 1475 CB HIS A 92 -0.434 -19.386 -3.243 1.00 0.00 C ATOM 1476 CG HIS A 92 0.153 -18.704 -2.048 1.00 0.00 C ATOM 1477 ND1 HIS A 92 1.195 -17.804 -2.132 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -0.159 -18.792 -0.733 1.00 0.00 C ATOM 1479 CE1 HIS A 92 1.499 -17.370 -0.922 1.00 0.00 C ATOM 1480 NE2 HIS A 92 0.691 -17.954 -0.056 1.00 0.00 N ATOM 0 H HIS A 92 0.175 -17.908 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 92 1.545 -19.970 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.172 -18.728 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.964 -20.281 -2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 92 1.659 -17.518 -2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -0.933 -19.407 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.276 -16.659 -0.682 1.00 0.00 H new ATOM 1489 N GLU A 93 0.035 -22.155 -4.353 1.00 0.00 N ATOM 1490 CA GLU A 93 -0.401 -23.387 -4.998 1.00 0.00 C ATOM 1491 C GLU A 93 -1.686 -23.872 -4.336 1.00 0.00 C ATOM 1492 O GLU A 93 -1.973 -23.504 -3.197 1.00 0.00 O ATOM 1493 CB GLU A 93 0.686 -24.459 -4.901 1.00 0.00 C ATOM 1494 CG GLU A 93 0.836 -25.291 -6.165 1.00 0.00 C ATOM 1495 CD GLU A 93 1.260 -24.464 -7.362 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.460 -24.128 -7.457 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.394 -24.153 -8.207 1.00 0.00 O ATOM 0 H GLU A 93 0.216 -22.240 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.588 -23.192 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.639 -23.979 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.458 -25.121 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.571 -26.077 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.111 -25.783 -6.386 1.00 0.00 H new ATOM 1504 N LEU A 94 -2.455 -24.703 -5.035 1.00 0.00 N ATOM 1505 CA LEU A 94 -3.704 -25.231 -4.485 1.00 0.00 C ATOM 1506 C LEU A 94 -4.528 -25.912 -5.573 1.00 0.00 C ATOM 1507 O LEU A 94 -5.068 -27.007 -5.308 1.00 0.00 O ATOM 1508 CB LEU A 94 -4.529 -24.117 -3.831 1.00 0.00 C ATOM 1509 CG LEU A 94 -4.473 -22.758 -4.539 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.845 -22.374 -5.073 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.947 -21.684 -3.595 1.00 0.00 C ATOM 1512 OXT LEU A 94 -4.630 -25.344 -6.681 1.00 0.00 O ATOM 0 H LEU A 94 -2.238 -25.025 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.446 -25.967 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.569 -24.439 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.185 -23.988 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.788 -22.840 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.784 -21.407 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.183 -23.128 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.553 -22.312 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.914 -20.727 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.606 -21.605 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.944 -21.951 -3.263 1.00 0.00 H new TER 1524 LEU A 94