USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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= -8.25! C(o=-7.8!,f=-8.1!) USER MOD Set 1.2: A 59 SER OG : rot -93:sc= 0.48 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.25 K(o=3.3,f=0.54) USER MOD Set 2.2: A 18 THR OG1 : rot -72:sc= 2.05 USER MOD Set 3.1: A 7 SER OG : rot 3:sc= 1.52 USER MOD Set 3.2: A 23 CYS SG : rot -29:sc= -1.53! USER MOD Single : A 1 MET CE :methyl -124:sc= -1.18 (180deg=-5.05!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 140:sc= 0 USER MOD Single : A 3 TYR OH : rot 10:sc= 0.069 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.333 K(o=0.33,f=-0.39) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 25 ASN : amide:sc= -2.06! C(o=-2.1!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0.231 K(o=0.23,f=-6.8!) USER MOD Single : A 32 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 33 SER OG : rot 146:sc= 1.08 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.558 USER MOD Single : A 40 CYS SG : rot -150:sc= -0.231 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.000368 K(o=-0.00037,f=-0.82) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.645) USER MOD Single : A 72 THR OG1 : rot 10:sc= 0.858 USER MOD Single : A 73 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.353) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -1.69! C(o=-2.5!,f=-1.7!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.157 F(o=-1.3!,f=-0.16) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.346 F(o=-1.4,f=-0.35) USER MOD Single : A 95 ASN : amide:sc= -1.41 K(o=-1.4,f=-6.7!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.171 15.258 0.307 1.00 0.00 N ATOM 2 CA MET A 1 1.550 14.879 -0.078 1.00 0.00 C ATOM 3 C MET A 1 1.950 13.596 0.632 1.00 0.00 C ATOM 4 O MET A 1 1.915 13.518 1.861 1.00 0.00 O ATOM 5 CB MET A 1 2.524 16.014 0.275 1.00 0.00 C ATOM 6 CG MET A 1 3.946 15.826 -0.245 1.00 0.00 C ATOM 7 SD MET A 1 4.979 14.840 0.859 1.00 0.00 S ATOM 8 CE MET A 1 6.565 14.934 0.031 1.00 0.00 C ATOM 0 H1 MET A 1 -0.097 16.136 -0.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.486 14.498 0.038 1.00 0.00 H new ATOM 0 H3 MET A 1 0.126 15.407 1.335 1.00 0.00 H new ATOM 0 HA MET A 1 1.588 14.710 -1.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.128 16.949 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.560 16.118 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.908 15.346 -1.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.407 16.804 -0.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.930 13.927 -0.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.454 15.476 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.278 15.456 0.669 1.00 0.00 H new ATOM 16 N SER A 2 2.301 12.580 -0.142 1.00 0.00 N ATOM 17 CA SER A 2 2.713 11.305 0.420 1.00 0.00 C ATOM 18 C SER A 2 4.186 11.043 0.139 1.00 0.00 C ATOM 19 O SER A 2 4.840 11.837 -0.538 1.00 0.00 O ATOM 20 CB SER A 2 1.852 10.169 -0.130 1.00 0.00 C ATOM 21 OG SER A 2 1.763 10.234 -1.542 1.00 0.00 O ATOM 0 H SER A 2 2.308 12.615 -1.161 1.00 0.00 H new ATOM 0 HA SER A 2 2.573 11.349 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.277 9.210 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.853 10.223 0.303 1.00 0.00 H new ATOM 0 HG SER A 2 1.816 9.329 -1.915 1.00 0.00 H new ATOM 26 N TYR A 3 4.699 9.932 0.643 1.00 0.00 N ATOM 27 CA TYR A 3 6.106 9.587 0.468 1.00 0.00 C ATOM 28 C TYR A 3 6.513 9.547 -1.008 1.00 0.00 C ATOM 29 O TYR A 3 7.598 10.003 -1.365 1.00 0.00 O ATOM 30 CB TYR A 3 6.405 8.237 1.132 1.00 0.00 C ATOM 31 CG TYR A 3 5.909 7.028 0.364 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.552 6.806 0.155 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.811 6.109 -0.159 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.111 5.703 -0.550 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.378 5.006 -0.864 1.00 0.00 C ATOM 36 CZ TYR A 3 5.030 4.807 -1.056 1.00 0.00 C ATOM 37 OH TYR A 3 4.599 3.708 -1.756 1.00 0.00 O ATOM 0 H TYR A 3 4.162 9.250 1.179 1.00 0.00 H new ATOM 0 HA TYR A 3 6.694 10.369 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.483 8.146 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.956 8.229 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.832 7.507 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.870 6.262 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.054 5.543 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.093 4.302 -1.263 1.00 0.00 H new ATOM 0 HH TYR A 3 3.640 3.793 -1.940 1.00 0.00 H new ATOM 46 N ALA A 4 5.614 9.047 -1.858 1.00 0.00 N ATOM 47 CA ALA A 4 5.871 8.900 -3.293 1.00 0.00 C ATOM 48 C ALA A 4 6.267 10.210 -3.970 1.00 0.00 C ATOM 49 O ALA A 4 6.891 10.195 -5.028 1.00 0.00 O ATOM 50 CB ALA A 4 4.651 8.305 -3.979 1.00 0.00 C ATOM 0 H ALA A 4 4.687 8.732 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 4 6.723 8.227 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.849 8.199 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.434 7.326 -3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.794 8.963 -3.833 1.00 0.00 H new ATOM 56 N ASP A 5 5.919 11.336 -3.361 1.00 0.00 N ATOM 57 CA ASP A 5 6.255 12.635 -3.933 1.00 0.00 C ATOM 58 C ASP A 5 7.769 12.844 -3.927 1.00 0.00 C ATOM 59 O ASP A 5 8.321 13.547 -4.776 1.00 0.00 O ATOM 60 CB ASP A 5 5.561 13.757 -3.162 1.00 0.00 C ATOM 61 CG ASP A 5 5.757 15.114 -3.809 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.009 15.434 -4.758 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.652 15.866 -3.373 1.00 0.00 O ATOM 0 H ASP A 5 5.409 11.378 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 5 5.904 12.657 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.495 13.541 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.946 13.785 -2.143 1.00 0.00 H new ATOM 67 N SER A 6 8.433 12.218 -2.963 1.00 0.00 N ATOM 68 CA SER A 6 9.878 12.304 -2.834 1.00 0.00 C ATOM 69 C SER A 6 10.459 10.908 -2.610 1.00 0.00 C ATOM 70 O SER A 6 11.422 10.730 -1.862 1.00 0.00 O ATOM 71 CB SER A 6 10.247 13.230 -1.673 1.00 0.00 C ATOM 72 OG SER A 6 9.681 14.517 -1.854 1.00 0.00 O ATOM 0 H SER A 6 7.985 11.639 -2.253 1.00 0.00 H new ATOM 0 HA SER A 6 10.297 12.717 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.894 12.802 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.331 13.312 -1.598 1.00 0.00 H new ATOM 0 HG SER A 6 9.928 15.092 -1.100 1.00 0.00 H new ATOM 77 N SER A 7 9.859 9.918 -3.264 1.00 0.00 N ATOM 78 CA SER A 7 10.299 8.538 -3.141 1.00 0.00 C ATOM 79 C SER A 7 10.234 7.847 -4.502 1.00 0.00 C ATOM 80 O SER A 7 9.542 8.309 -5.409 1.00 0.00 O ATOM 81 CB SER A 7 9.432 7.793 -2.120 1.00 0.00 C ATOM 82 OG SER A 7 10.013 6.557 -1.743 1.00 0.00 O ATOM 0 H SER A 7 9.062 10.050 -3.887 1.00 0.00 H new ATOM 0 HA SER A 7 11.331 8.526 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.295 8.415 -1.236 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.443 7.617 -2.542 1.00 0.00 H new ATOM 0 HG SER A 7 10.884 6.458 -2.181 1.00 0.00 H new ATOM 87 N ARG A 8 10.966 6.752 -4.638 1.00 0.00 N ATOM 88 CA ARG A 8 11.006 5.997 -5.884 1.00 0.00 C ATOM 89 C ARG A 8 11.253 4.527 -5.610 1.00 0.00 C ATOM 90 O ARG A 8 11.585 4.147 -4.485 1.00 0.00 O ATOM 91 CB ARG A 8 12.122 6.521 -6.787 1.00 0.00 C ATOM 92 CG ARG A 8 13.480 6.551 -6.103 1.00 0.00 C ATOM 93 CD ARG A 8 14.607 6.744 -7.100 1.00 0.00 C ATOM 94 NE ARG A 8 14.288 7.770 -8.086 1.00 0.00 N ATOM 95 CZ ARG A 8 15.174 8.610 -8.615 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.452 8.553 -8.260 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.780 9.501 -9.513 1.00 0.00 N ATOM 0 H ARG A 8 11.546 6.363 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 8 10.042 6.118 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.184 5.895 -7.677 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.868 7.527 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.500 7.358 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.633 5.620 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.518 7.020 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.808 5.801 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 8 13.318 7.849 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.761 7.862 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.125 9.201 -8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.801 9.541 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.456 10.147 -9.921 1.00 0.00 H new ATOM 108 N ASN A 9 11.101 3.712 -6.652 1.00 0.00 N ATOM 109 CA ASN A 9 11.343 2.274 -6.572 1.00 0.00 C ATOM 110 C ASN A 9 10.471 1.603 -5.518 1.00 0.00 C ATOM 111 O ASN A 9 10.949 0.781 -4.735 1.00 0.00 O ATOM 112 CB ASN A 9 12.819 2.020 -6.268 1.00 0.00 C ATOM 113 CG ASN A 9 13.737 2.537 -7.359 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.425 2.442 -8.544 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.861 3.109 -6.964 1.00 0.00 N ATOM 0 H ASN A 9 10.807 4.030 -7.575 1.00 0.00 H new ATOM 0 HA ASN A 9 11.080 1.838 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.079 2.497 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.981 0.950 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.508 3.492 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.082 3.167 -5.970 1.00 0.00 H new ATOM 121 N ALA A 10 9.191 1.943 -5.504 1.00 0.00 N ATOM 122 CA ALA A 10 8.270 1.362 -4.540 1.00 0.00 C ATOM 123 C ALA A 10 7.797 -0.007 -5.006 1.00 0.00 C ATOM 124 O ALA A 10 7.177 -0.140 -6.065 1.00 0.00 O ATOM 125 CB ALA A 10 7.088 2.284 -4.297 1.00 0.00 C ATOM 0 H ALA A 10 8.769 2.614 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 10 8.802 1.237 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.413 1.828 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.445 3.238 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.556 2.449 -5.234 1.00 0.00 H new ATOM 131 N VAL A 11 8.108 -1.020 -4.216 1.00 0.00 N ATOM 132 CA VAL A 11 7.721 -2.387 -4.526 1.00 0.00 C ATOM 133 C VAL A 11 6.824 -2.946 -3.430 1.00 0.00 C ATOM 134 O VAL A 11 6.672 -2.335 -2.370 1.00 0.00 O ATOM 135 CB VAL A 11 8.951 -3.303 -4.704 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.767 -2.874 -5.915 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.815 -3.309 -3.451 1.00 0.00 C ATOM 0 H VAL A 11 8.632 -0.920 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 11 7.175 -2.364 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 11 8.593 -4.319 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.630 -3.531 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.149 -2.935 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.108 -1.848 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.674 -3.962 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.162 -2.297 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.229 -3.672 -2.607 1.00 0.00 H new ATOM 147 N LEU A 12 6.245 -4.112 -3.684 1.00 0.00 N ATOM 148 CA LEU A 12 5.355 -4.751 -2.726 1.00 0.00 C ATOM 149 C LEU A 12 6.053 -5.922 -2.052 1.00 0.00 C ATOM 150 O LEU A 12 6.393 -6.911 -2.704 1.00 0.00 O ATOM 151 CB LEU A 12 4.072 -5.249 -3.415 1.00 0.00 C ATOM 152 CG LEU A 12 3.087 -4.174 -3.889 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.828 -3.158 -2.789 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.585 -3.495 -5.156 1.00 0.00 C ATOM 0 H LEU A 12 6.377 -4.636 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 12 5.086 -4.009 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.360 -5.851 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.549 -5.910 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 12 2.142 -4.663 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.126 -2.405 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.406 -3.662 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.765 -2.677 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.867 -2.737 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.548 -3.023 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.697 -4.237 -5.946 1.00 0.00 H new ATOM 165 N THR A 13 6.269 -5.808 -0.753 1.00 0.00 N ATOM 166 CA THR A 13 6.922 -6.864 -0.003 1.00 0.00 C ATOM 167 C THR A 13 5.968 -7.472 1.019 1.00 0.00 C ATOM 168 O THR A 13 4.879 -6.932 1.267 1.00 0.00 O ATOM 169 CB THR A 13 8.187 -6.345 0.709 1.00 0.00 C ATOM 170 OG1 THR A 13 7.871 -5.195 1.501 1.00 0.00 O ATOM 171 CG2 THR A 13 9.271 -5.986 -0.298 1.00 0.00 C ATOM 0 H THR A 13 6.002 -4.995 -0.197 1.00 0.00 H new ATOM 0 HA THR A 13 7.218 -7.635 -0.715 1.00 0.00 H new ATOM 0 HB THR A 13 8.560 -7.140 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.681 -4.874 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.152 -5.623 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.535 -6.870 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.903 -5.208 -0.967 1.00 0.00 H new ATOM 179 N ASN A 14 6.371 -8.611 1.584 1.00 0.00 N ATOM 180 CA ASN A 14 5.573 -9.314 2.588 1.00 0.00 C ATOM 181 C ASN A 14 4.192 -9.665 2.046 1.00 0.00 C ATOM 182 O ASN A 14 3.171 -9.366 2.664 1.00 0.00 O ATOM 183 CB ASN A 14 5.437 -8.469 3.858 1.00 0.00 C ATOM 184 CG ASN A 14 6.721 -8.399 4.664 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.519 -9.337 4.667 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.933 -7.287 5.346 1.00 0.00 N ATOM 0 H ASN A 14 7.254 -9.069 1.360 1.00 0.00 H new ATOM 0 HA ASN A 14 6.092 -10.241 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.130 -7.459 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.645 -8.885 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.783 -7.183 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.247 -6.533 5.317 1.00 0.00 H new ATOM 192 N GLY A 15 4.164 -10.281 0.873 1.00 0.00 N ATOM 193 CA GLY A 15 2.908 -10.660 0.257 1.00 0.00 C ATOM 194 C GLY A 15 2.278 -9.519 -0.519 1.00 0.00 C ATOM 195 O GLY A 15 1.467 -9.740 -1.419 1.00 0.00 O ATOM 0 H GLY A 15 4.994 -10.527 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.075 -11.503 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.215 -10.998 1.028 1.00 0.00 H new ATOM 199 N GLY A 16 2.648 -8.299 -0.163 1.00 0.00 N ATOM 200 CA GLY A 16 2.115 -7.131 -0.831 1.00 0.00 C ATOM 201 C GLY A 16 1.377 -6.229 0.128 1.00 0.00 C ATOM 202 O GLY A 16 0.346 -5.653 -0.209 1.00 0.00 O ATOM 0 H GLY A 16 3.313 -8.096 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.928 -6.577 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.441 -7.444 -1.629 1.00 0.00 H new ATOM 206 N ARG A 17 1.909 -6.110 1.333 1.00 0.00 N ATOM 207 CA ARG A 17 1.289 -5.280 2.352 1.00 0.00 C ATOM 208 C ARG A 17 2.253 -4.205 2.832 1.00 0.00 C ATOM 209 O ARG A 17 1.838 -3.173 3.364 1.00 0.00 O ATOM 210 CB ARG A 17 0.847 -6.144 3.531 1.00 0.00 C ATOM 211 CG ARG A 17 2.002 -6.737 4.322 1.00 0.00 C ATOM 212 CD ARG A 17 1.527 -7.782 5.310 1.00 0.00 C ATOM 213 NE ARG A 17 2.603 -8.216 6.197 1.00 0.00 N ATOM 214 CZ ARG A 17 3.011 -9.476 6.316 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.439 -10.435 5.596 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.997 -9.773 7.151 1.00 0.00 N ATOM 0 H ARG A 17 2.767 -6.576 1.629 1.00 0.00 H new ATOM 0 HA ARG A 17 0.417 -4.793 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.231 -5.543 4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.218 -6.954 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.721 -7.185 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.523 -5.942 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.708 -7.376 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.133 -8.642 4.769 1.00 0.00 H new ATOM 0 HE ARG A 17 3.072 -7.507 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.684 -10.206 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.755 -11.400 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.440 -9.036 7.700 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.312 -10.738 7.245 1.00 0.00 H new ATOM 227 N THR A 18 3.539 -4.455 2.647 1.00 0.00 N ATOM 228 CA THR A 18 4.561 -3.522 3.064 1.00 0.00 C ATOM 229 C THR A 18 5.100 -2.748 1.868 1.00 0.00 C ATOM 230 O THR A 18 5.391 -3.329 0.818 1.00 0.00 O ATOM 231 CB THR A 18 5.721 -4.262 3.751 1.00 0.00 C ATOM 232 OG1 THR A 18 5.200 -5.273 4.627 1.00 0.00 O ATOM 233 CG2 THR A 18 6.593 -3.300 4.544 1.00 0.00 C ATOM 0 H THR A 18 3.897 -5.303 2.208 1.00 0.00 H new ATOM 0 HA THR A 18 4.109 -2.825 3.770 1.00 0.00 H new ATOM 0 HB THR A 18 6.335 -4.724 2.978 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.797 -4.849 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.405 -3.851 5.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.009 -2.548 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.991 -2.810 5.309 1.00 0.00 H new ATOM 241 N LEU A 19 5.203 -1.441 2.026 1.00 0.00 N ATOM 242 CA LEU A 19 5.719 -0.582 0.974 1.00 0.00 C ATOM 243 C LEU A 19 7.212 -0.384 1.142 1.00 0.00 C ATOM 244 O LEU A 19 7.651 0.230 2.113 1.00 0.00 O ATOM 245 CB LEU A 19 5.036 0.785 1.000 1.00 0.00 C ATOM 246 CG LEU A 19 3.565 0.798 0.602 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.023 2.216 0.664 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.388 0.215 -0.790 1.00 0.00 C ATOM 0 H LEU A 19 4.935 -0.948 2.878 1.00 0.00 H new ATOM 0 HA LEU A 19 5.514 -1.068 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.125 1.196 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.579 1.455 0.333 1.00 0.00 H new ATOM 0 HG LEU A 19 3.003 0.180 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.971 2.216 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.123 2.600 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.585 2.851 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.332 0.231 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.955 0.808 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.750 -0.813 -0.803 1.00 0.00 H new ATOM 259 N ARG A 20 7.988 -0.916 0.217 1.00 0.00 N ATOM 260 CA ARG A 20 9.429 -0.763 0.275 1.00 0.00 C ATOM 261 C ARG A 20 9.881 0.141 -0.864 1.00 0.00 C ATOM 262 O ARG A 20 9.687 -0.189 -2.034 1.00 0.00 O ATOM 263 CB ARG A 20 10.096 -2.135 0.171 1.00 0.00 C ATOM 264 CG ARG A 20 11.600 -2.113 0.369 1.00 0.00 C ATOM 265 CD ARG A 20 12.165 -3.522 0.388 1.00 0.00 C ATOM 266 NE ARG A 20 13.615 -3.530 0.540 1.00 0.00 N ATOM 267 CZ ARG A 20 14.244 -4.001 1.615 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.550 -4.445 2.655 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.569 -4.011 1.656 1.00 0.00 N ATOM 0 H ARG A 20 7.647 -1.455 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 20 9.718 -0.310 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.653 -2.799 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.876 -2.560 -0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.068 -1.540 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.840 -1.608 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.712 -4.083 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.895 -4.033 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 20 14.180 -3.153 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.530 -4.426 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.036 -4.805 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.106 -3.658 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.051 -4.372 2.479 1.00 0.00 H new ATOM 280 N ALA A 21 10.483 1.274 -0.523 1.00 0.00 N ATOM 281 CA ALA A 21 10.933 2.226 -1.530 1.00 0.00 C ATOM 282 C ALA A 21 12.078 3.091 -1.024 1.00 0.00 C ATOM 283 O ALA A 21 12.364 3.124 0.176 1.00 0.00 O ATOM 284 CB ALA A 21 9.772 3.113 -1.951 1.00 0.00 C ATOM 0 H ALA A 21 10.670 1.555 0.440 1.00 0.00 H new ATOM 0 HA ALA A 21 11.299 1.656 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.112 3.824 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.975 2.496 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.395 3.655 -1.084 1.00 0.00 H new ATOM 290 N GLU A 22 12.725 3.791 -1.948 1.00 0.00 N ATOM 291 CA GLU A 22 13.804 4.704 -1.606 1.00 0.00 C ATOM 292 C GLU A 22 13.200 6.073 -1.368 1.00 0.00 C ATOM 293 O GLU A 22 12.651 6.679 -2.287 1.00 0.00 O ATOM 294 CB GLU A 22 14.858 4.804 -2.722 1.00 0.00 C ATOM 295 CG GLU A 22 15.922 3.713 -2.689 1.00 0.00 C ATOM 296 CD GLU A 22 15.385 2.335 -3.016 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.135 2.061 -4.204 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.230 1.515 -2.087 1.00 0.00 O ATOM 0 H GLU A 22 12.518 3.742 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 22 14.308 4.327 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.351 4.770 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.349 5.775 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.711 3.964 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.378 3.691 -1.699 1.00 0.00 H new ATOM 303 N CYS A 23 13.259 6.540 -0.139 1.00 0.00 N ATOM 304 CA CYS A 23 12.708 7.837 0.199 1.00 0.00 C ATOM 305 C CYS A 23 13.822 8.858 0.333 1.00 0.00 C ATOM 306 O CYS A 23 14.859 8.577 0.933 1.00 0.00 O ATOM 307 CB CYS A 23 11.905 7.738 1.493 1.00 0.00 C ATOM 308 SG CYS A 23 10.607 6.483 1.435 1.00 0.00 S ATOM 0 H CYS A 23 13.683 6.042 0.643 1.00 0.00 H new ATOM 0 HA CYS A 23 12.040 8.163 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.583 7.512 2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.454 8.707 1.708 1.00 0.00 H new ATOM 0 HG CYS A 23 10.198 6.338 0.210 1.00 0.00 H new ATOM 313 N ARG A 24 13.626 10.029 -0.247 1.00 0.00 N ATOM 314 CA ARG A 24 14.622 11.070 -0.185 1.00 0.00 C ATOM 315 C ARG A 24 14.509 11.819 1.134 1.00 0.00 C ATOM 316 O ARG A 24 13.589 12.618 1.333 1.00 0.00 O ATOM 317 CB ARG A 24 14.447 12.001 -1.378 1.00 0.00 C ATOM 318 CG ARG A 24 15.511 13.071 -1.494 1.00 0.00 C ATOM 319 CD ARG A 24 15.548 13.626 -2.900 1.00 0.00 C ATOM 320 NE ARG A 24 15.957 15.031 -2.932 1.00 0.00 N ATOM 321 CZ ARG A 24 16.927 15.507 -3.716 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.625 14.685 -4.487 1.00 0.00 N ATOM 323 NH2 ARG A 24 17.207 16.806 -3.712 1.00 0.00 N ATOM 0 H ARG A 24 12.783 10.278 -0.765 1.00 0.00 H new ATOM 0 HA ARG A 24 15.621 10.637 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.446 11.406 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.471 12.481 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.308 13.873 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.484 12.655 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.237 13.035 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.562 13.527 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 24 15.472 15.686 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.422 13.686 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.365 15.052 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.681 17.439 -3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.948 17.170 -4.311 1.00 0.00 H new ATOM 334 N ASN A 25 15.443 11.538 2.036 1.00 0.00 N ATOM 335 CA ASN A 25 15.456 12.163 3.351 1.00 0.00 C ATOM 336 C ASN A 25 15.748 13.656 3.248 1.00 0.00 C ATOM 337 O ASN A 25 16.136 14.133 2.174 1.00 0.00 O ATOM 338 CB ASN A 25 16.469 11.474 4.287 1.00 0.00 C ATOM 339 CG ASN A 25 17.916 11.579 3.828 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.306 12.521 3.148 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.733 10.615 4.214 1.00 0.00 N ATOM 0 H ASN A 25 16.204 10.878 1.878 1.00 0.00 H new ATOM 0 HA ASN A 25 14.462 12.041 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.383 11.911 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.204 10.421 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.717 10.643 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.380 9.843 4.780 1.00 0.00 H new ATOM 347 N ALA A 26 15.602 14.374 4.359 1.00 0.00 N ATOM 348 CA ALA A 26 15.824 15.821 4.395 1.00 0.00 C ATOM 349 C ALA A 26 17.215 16.193 3.891 1.00 0.00 C ATOM 350 O ALA A 26 17.410 17.252 3.290 1.00 0.00 O ATOM 351 CB ALA A 26 15.616 16.348 5.806 1.00 0.00 C ATOM 0 H ALA A 26 15.328 13.974 5.256 1.00 0.00 H new ATOM 0 HA ALA A 26 15.098 16.284 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.784 17.425 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.596 16.135 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.319 15.862 6.483 1.00 0.00 H new ATOM 357 N ASP A 27 18.173 15.304 4.109 1.00 0.00 N ATOM 358 CA ASP A 27 19.549 15.531 3.677 1.00 0.00 C ATOM 359 C ASP A 27 19.655 15.425 2.152 1.00 0.00 C ATOM 360 O ASP A 27 20.660 15.807 1.552 1.00 0.00 O ATOM 361 CB ASP A 27 20.476 14.514 4.353 1.00 0.00 C ATOM 362 CG ASP A 27 21.943 14.770 4.078 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.528 15.661 4.731 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.522 14.074 3.221 1.00 0.00 O ATOM 0 H ASP A 27 18.024 14.414 4.585 1.00 0.00 H new ATOM 0 HA ASP A 27 19.853 16.536 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.305 14.536 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.218 13.512 4.010 1.00 0.00 H new ATOM 368 N GLY A 28 18.593 14.923 1.533 1.00 0.00 N ATOM 369 CA GLY A 28 18.563 14.765 0.092 1.00 0.00 C ATOM 370 C GLY A 28 19.142 13.435 -0.328 1.00 0.00 C ATOM 371 O GLY A 28 19.607 13.274 -1.454 1.00 0.00 O ATOM 0 H GLY A 28 17.744 14.620 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.536 14.845 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.126 15.573 -0.376 1.00 0.00 H new ATOM 375 N ASN A 29 19.098 12.477 0.582 1.00 0.00 N ATOM 376 CA ASN A 29 19.654 11.149 0.326 1.00 0.00 C ATOM 377 C ASN A 29 18.541 10.121 0.162 1.00 0.00 C ATOM 378 O ASN A 29 17.416 10.340 0.603 1.00 0.00 O ATOM 379 CB ASN A 29 20.556 10.737 1.490 1.00 0.00 C ATOM 380 CG ASN A 29 21.663 9.780 1.085 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.535 9.021 0.125 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.755 9.807 1.828 1.00 0.00 N ATOM 0 H ASN A 29 18.684 12.589 1.507 1.00 0.00 H new ATOM 0 HA ASN A 29 20.234 11.189 -0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.000 11.630 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.947 10.270 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.533 9.183 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.820 10.452 2.615 1.00 0.00 H new ATOM 388 N TRP A 30 18.862 8.997 -0.462 1.00 0.00 N ATOM 389 CA TRP A 30 17.888 7.937 -0.675 1.00 0.00 C ATOM 390 C TRP A 30 18.032 6.853 0.378 1.00 0.00 C ATOM 391 O TRP A 30 19.085 6.222 0.500 1.00 0.00 O ATOM 392 CB TRP A 30 18.038 7.317 -2.064 1.00 0.00 C ATOM 393 CG TRP A 30 17.650 8.232 -3.181 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.475 8.774 -4.118 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.335 8.713 -3.476 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.752 9.553 -4.983 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.439 9.536 -4.610 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.081 8.526 -2.899 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.338 10.170 -5.172 1.00 0.00 C ATOM 400 CZ3 TRP A 30 13.988 9.157 -3.459 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.123 9.971 -4.585 1.00 0.00 C ATOM 0 H TRP A 30 19.792 8.795 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 30 16.898 8.386 -0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.074 7.008 -2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.427 6.416 -2.117 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.542 8.614 -4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.134 10.064 -5.779 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.966 7.898 -2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.441 10.799 -6.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.012 9.018 -3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.249 10.452 -4.999 1.00 0.00 H new ATOM 411 N VAL A 31 16.975 6.649 1.139 1.00 0.00 N ATOM 412 CA VAL A 31 16.959 5.632 2.176 1.00 0.00 C ATOM 413 C VAL A 31 15.799 4.668 1.947 1.00 0.00 C ATOM 414 O VAL A 31 14.670 5.092 1.710 1.00 0.00 O ATOM 415 CB VAL A 31 16.854 6.248 3.588 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.168 6.902 3.986 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.720 7.259 3.664 1.00 0.00 C ATOM 0 H VAL A 31 16.107 7.179 1.058 1.00 0.00 H new ATOM 0 HA VAL A 31 17.904 5.092 2.118 1.00 0.00 H new ATOM 0 HB VAL A 31 16.638 5.441 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.074 7.330 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.961 6.155 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.412 7.691 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.671 7.676 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.899 8.061 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.777 6.766 3.429 1.00 0.00 H new ATOM 427 N THR A 32 16.084 3.378 1.989 1.00 0.00 N ATOM 428 CA THR A 32 15.055 2.373 1.782 1.00 0.00 C ATOM 429 C THR A 32 14.241 2.178 3.057 1.00 0.00 C ATOM 430 O THR A 32 14.732 1.633 4.048 1.00 0.00 O ATOM 431 CB THR A 32 15.672 1.028 1.345 1.00 0.00 C ATOM 432 OG1 THR A 32 16.540 1.234 0.221 1.00 0.00 O ATOM 433 CG2 THR A 32 14.588 0.025 0.973 1.00 0.00 C ATOM 0 H THR A 32 17.016 3.002 2.164 1.00 0.00 H new ATOM 0 HA THR A 32 14.398 2.725 0.987 1.00 0.00 H new ATOM 0 HB THR A 32 16.242 0.627 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.022 1.169 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.050 -0.914 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.943 -0.150 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.994 0.420 0.149 1.00 0.00 H new ATOM 441 N SER A 33 13.002 2.635 3.027 1.00 0.00 N ATOM 442 CA SER A 33 12.119 2.519 4.172 1.00 0.00 C ATOM 443 C SER A 33 10.935 1.624 3.841 1.00 0.00 C ATOM 444 O SER A 33 10.642 1.383 2.666 1.00 0.00 O ATOM 445 CB SER A 33 11.648 3.904 4.613 1.00 0.00 C ATOM 446 OG SER A 33 12.743 4.684 5.064 1.00 0.00 O ATOM 0 H SER A 33 12.583 3.092 2.217 1.00 0.00 H new ATOM 0 HA SER A 33 12.667 2.063 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.154 4.407 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.911 3.807 5.410 1.00 0.00 H new ATOM 0 HG SER A 33 12.594 5.624 4.829 1.00 0.00 H new ATOM 451 N GLU A 34 10.265 1.123 4.874 1.00 0.00 N ATOM 452 CA GLU A 34 9.126 0.233 4.689 1.00 0.00 C ATOM 453 C GLU A 34 8.016 0.544 5.683 1.00 0.00 C ATOM 454 O GLU A 34 8.277 0.800 6.858 1.00 0.00 O ATOM 455 CB GLU A 34 9.552 -1.223 4.866 1.00 0.00 C ATOM 456 CG GLU A 34 10.652 -1.672 3.921 1.00 0.00 C ATOM 457 CD GLU A 34 11.081 -3.096 4.182 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.513 -3.389 5.317 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.984 -3.931 3.261 1.00 0.00 O ATOM 0 H GLU A 34 10.492 1.319 5.849 1.00 0.00 H new ATOM 0 HA GLU A 34 8.752 0.389 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.889 -1.368 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.682 -1.864 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.304 -1.582 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.512 -1.010 4.026 1.00 0.00 H new ATOM 464 N LEU A 35 6.782 0.510 5.207 1.00 0.00 N ATOM 465 CA LEU A 35 5.620 0.760 6.053 1.00 0.00 C ATOM 466 C LEU A 35 4.564 -0.295 5.756 1.00 0.00 C ATOM 467 O LEU A 35 4.240 -0.547 4.592 1.00 0.00 O ATOM 468 CB LEU A 35 5.060 2.171 5.806 1.00 0.00 C ATOM 469 CG LEU A 35 4.180 2.771 6.923 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.799 2.134 6.953 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.860 2.617 8.277 1.00 0.00 C ATOM 0 H LEU A 35 6.556 0.310 4.233 1.00 0.00 H new ATOM 0 HA LEU A 35 5.913 0.701 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.899 2.845 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.475 2.149 4.886 1.00 0.00 H new ATOM 0 HG LEU A 35 4.053 3.832 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.209 2.582 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.301 2.300 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.896 1.063 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.226 3.045 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.023 1.559 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.818 3.136 8.264 1.00 0.00 H new ATOM 482 N ASP A 36 4.047 -0.922 6.800 1.00 0.00 N ATOM 483 CA ASP A 36 3.028 -1.951 6.641 1.00 0.00 C ATOM 484 C ASP A 36 1.649 -1.316 6.644 1.00 0.00 C ATOM 485 O ASP A 36 1.179 -0.837 7.673 1.00 0.00 O ATOM 486 CB ASP A 36 3.117 -2.987 7.768 1.00 0.00 C ATOM 487 CG ASP A 36 4.445 -3.715 7.801 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.607 -4.706 7.061 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.334 -3.306 8.582 1.00 0.00 O ATOM 0 H ASP A 36 4.315 -0.738 7.767 1.00 0.00 H new ATOM 0 HA ASP A 36 3.198 -2.456 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.958 -2.489 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.314 -3.714 7.650 1.00 0.00 H new ATOM 493 N LEU A 37 1.001 -1.309 5.493 1.00 0.00 N ATOM 494 CA LEU A 37 -0.322 -0.713 5.376 1.00 0.00 C ATOM 495 C LEU A 37 -1.418 -1.675 5.818 1.00 0.00 C ATOM 496 O LEU A 37 -2.558 -1.266 6.017 1.00 0.00 O ATOM 497 CB LEU A 37 -0.595 -0.287 3.934 1.00 0.00 C ATOM 498 CG LEU A 37 0.637 0.077 3.112 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.240 0.383 1.683 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.360 1.261 3.726 1.00 0.00 C ATOM 0 H LEU A 37 1.366 -1.707 4.628 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.334 0.158 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.122 -1.096 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.267 0.571 3.948 1.00 0.00 H new ATOM 0 HG LEU A 37 1.317 -0.775 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.128 0.641 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.237 -0.493 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.457 1.221 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.236 1.504 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.690 2.120 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.674 1.010 4.739 1.00 0.00 H new ATOM 511 N ASP A 38 -1.082 -2.948 5.992 1.00 0.00 N ATOM 512 CA ASP A 38 -2.081 -3.945 6.387 1.00 0.00 C ATOM 513 C ASP A 38 -2.613 -3.689 7.789 1.00 0.00 C ATOM 514 O ASP A 38 -3.621 -4.262 8.184 1.00 0.00 O ATOM 515 CB ASP A 38 -1.519 -5.366 6.312 1.00 0.00 C ATOM 516 CG ASP A 38 -0.570 -5.685 7.448 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.577 -5.202 7.423 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.970 -6.428 8.368 1.00 0.00 O ATOM 0 H ASP A 38 -0.138 -3.315 5.869 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.903 -3.851 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.344 -6.079 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.999 -5.496 5.363 1.00 0.00 H new ATOM 522 N THR A 39 -1.942 -2.830 8.539 1.00 0.00 N ATOM 523 CA THR A 39 -2.378 -2.509 9.887 1.00 0.00 C ATOM 524 C THR A 39 -3.377 -1.349 9.860 1.00 0.00 C ATOM 525 O THR A 39 -3.875 -0.917 10.904 1.00 0.00 O ATOM 526 CB THR A 39 -1.179 -2.157 10.802 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.621 -1.966 12.152 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.472 -0.898 10.321 1.00 0.00 C ATOM 0 H THR A 39 -1.097 -2.345 8.238 1.00 0.00 H new ATOM 0 HA THR A 39 -2.866 -3.393 10.298 1.00 0.00 H new ATOM 0 HB THR A 39 -0.477 -2.990 10.762 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.497 -1.526 12.150 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.365 -0.676 10.983 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.102 -1.053 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.172 -0.062 10.328 1.00 0.00 H new ATOM 536 N CYS A 40 -3.660 -0.840 8.664 1.00 0.00 N ATOM 537 CA CYS A 40 -4.598 0.267 8.508 1.00 0.00 C ATOM 538 C CYS A 40 -5.550 0.048 7.330 1.00 0.00 C ATOM 539 O CYS A 40 -6.609 0.671 7.258 1.00 0.00 O ATOM 540 CB CYS A 40 -3.831 1.575 8.334 1.00 0.00 C ATOM 541 SG CYS A 40 -2.715 1.947 9.707 1.00 0.00 S ATOM 0 H CYS A 40 -3.254 -1.176 7.791 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.206 0.319 9.411 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.254 1.528 7.410 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.543 2.393 8.224 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.593 3.235 9.830 1.00 0.00 H new ATOM 546 N ILE A 41 -5.171 -0.821 6.405 1.00 0.00 N ATOM 547 CA ILE A 41 -6.008 -1.125 5.255 1.00 0.00 C ATOM 548 C ILE A 41 -6.599 -2.522 5.396 1.00 0.00 C ATOM 549 O ILE A 41 -5.882 -3.478 5.705 1.00 0.00 O ATOM 550 CB ILE A 41 -5.223 -1.057 3.929 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.583 0.317 3.745 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.140 -1.371 2.758 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.780 0.445 2.467 1.00 0.00 C ATOM 0 H ILE A 41 -4.287 -1.329 6.429 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.797 -0.373 5.228 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.428 -1.802 3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.365 1.077 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.933 0.523 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.573 -1.320 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.552 -2.373 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.953 -0.646 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.355 1.447 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.976 -0.291 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.430 0.272 1.610 1.00 0.00 H new ATOM 564 N GLY A 42 -7.895 -2.634 5.165 1.00 0.00 N ATOM 565 CA GLY A 42 -8.559 -3.915 5.260 1.00 0.00 C ATOM 566 C GLY A 42 -9.603 -4.072 4.180 1.00 0.00 C ATOM 567 O GLY A 42 -10.060 -3.076 3.613 1.00 0.00 O ATOM 0 H GLY A 42 -8.503 -1.855 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.824 -4.715 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.028 -4.013 6.239 1.00 0.00 H new ATOM 571 N ASN A 43 -9.968 -5.311 3.876 1.00 0.00 N ATOM 572 CA ASN A 43 -10.972 -5.576 2.851 1.00 0.00 C ATOM 573 C ASN A 43 -11.677 -6.935 3.021 1.00 0.00 C ATOM 574 O ASN A 43 -11.952 -7.600 2.022 1.00 0.00 O ATOM 575 CB ASN A 43 -10.332 -5.522 1.455 1.00 0.00 C ATOM 576 CG ASN A 43 -9.119 -6.425 1.326 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.954 -7.380 2.076 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.264 -6.140 0.358 1.00 0.00 N ATOM 0 H ASN A 43 -9.586 -6.145 4.322 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.728 -4.799 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.074 -5.809 0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.040 -4.495 1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.438 -6.723 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.430 -5.338 -0.249 1.00 0.00 H new ATOM 584 N PRO A 44 -12.034 -7.368 4.256 1.00 0.00 N ATOM 585 CA PRO A 44 -12.707 -8.662 4.448 1.00 0.00 C ATOM 586 C PRO A 44 -14.131 -8.636 3.900 1.00 0.00 C ATOM 587 O PRO A 44 -14.759 -9.676 3.702 1.00 0.00 O ATOM 588 CB PRO A 44 -12.714 -8.849 5.965 1.00 0.00 C ATOM 589 CG PRO A 44 -12.646 -7.471 6.519 1.00 0.00 C ATOM 590 CD PRO A 44 -11.844 -6.660 5.537 1.00 0.00 C ATOM 0 HA PRO A 44 -12.204 -9.473 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.616 -9.364 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.866 -9.449 6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.645 -7.053 6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.174 -7.470 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.201 -5.632 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.792 -6.618 5.818 1.00 0.00 H new ATOM 595 N ASN A 45 -14.628 -7.429 3.663 1.00 0.00 N ATOM 596 CA ASN A 45 -15.967 -7.238 3.120 1.00 0.00 C ATOM 597 C ASN A 45 -15.904 -7.219 1.599 1.00 0.00 C ATOM 598 O ASN A 45 -16.929 -7.224 0.917 1.00 0.00 O ATOM 599 CB ASN A 45 -16.589 -5.929 3.627 1.00 0.00 C ATOM 600 CG ASN A 45 -16.728 -5.882 5.139 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.821 -6.918 5.800 1.00 0.00 O ATOM 602 ND2 ASN A 45 -16.768 -4.680 5.697 1.00 0.00 N ATOM 0 H ASN A 45 -14.120 -6.562 3.840 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.593 -8.066 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -15.975 -5.091 3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.572 -5.801 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.879 -4.590 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.688 -3.845 5.116 1.00 0.00 H new ATOM 608 N GLY A 46 -14.685 -7.204 1.074 1.00 0.00 N ATOM 609 CA GLY A 46 -14.500 -7.176 -0.358 1.00 0.00 C ATOM 610 C GLY A 46 -14.205 -5.786 -0.881 1.00 0.00 C ATOM 611 O GLY A 46 -14.135 -5.582 -2.088 1.00 0.00 O ATOM 0 H GLY A 46 -13.822 -7.211 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.681 -7.843 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.397 -7.560 -0.844 1.00 0.00 H new ATOM 615 N PHE A 47 -14.049 -4.822 0.020 1.00 0.00 N ATOM 616 CA PHE A 47 -13.771 -3.449 -0.387 1.00 0.00 C ATOM 617 C PHE A 47 -12.534 -2.898 0.310 1.00 0.00 C ATOM 618 O PHE A 47 -12.317 -3.141 1.496 1.00 0.00 O ATOM 619 CB PHE A 47 -14.981 -2.557 -0.113 1.00 0.00 C ATOM 620 CG PHE A 47 -16.209 -3.010 -0.848 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.252 -2.969 -2.233 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.310 -3.492 -0.158 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.372 -3.398 -2.915 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.433 -3.923 -0.838 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.463 -3.875 -2.218 1.00 0.00 C ATOM 0 H PHE A 47 -14.110 -4.963 1.028 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.572 -3.454 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.186 -2.547 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.746 -1.533 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.400 -2.598 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.290 -3.531 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.395 -3.360 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.286 -4.297 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.340 -4.211 -2.751 1.00 0.00 H new ATOM 634 N LEU A 48 -11.735 -2.158 -0.446 1.00 0.00 N ATOM 635 CA LEU A 48 -10.505 -1.557 0.056 1.00 0.00 C ATOM 636 C LEU A 48 -10.769 -0.223 0.746 1.00 0.00 C ATOM 637 O LEU A 48 -11.566 0.584 0.267 1.00 0.00 O ATOM 638 CB LEU A 48 -9.538 -1.331 -1.105 1.00 0.00 C ATOM 639 CG LEU A 48 -8.860 -2.584 -1.653 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.193 -2.284 -2.985 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.837 -3.099 -0.657 1.00 0.00 C ATOM 0 H LEU A 48 -11.921 -1.956 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.075 -2.242 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.081 -0.849 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.765 -0.634 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.617 -3.352 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.714 -3.187 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.943 -1.945 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.443 -1.505 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.358 -3.993 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.083 -2.332 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.334 -3.342 0.282 1.00 0.00 H new ATOM 652 N GLY A 49 -10.093 0.006 1.864 1.00 0.00 N ATOM 653 CA GLY A 49 -10.251 1.254 2.584 1.00 0.00 C ATOM 654 C GLY A 49 -9.407 1.299 3.839 1.00 0.00 C ATOM 655 O GLY A 49 -8.862 0.277 4.264 1.00 0.00 O ATOM 0 H GLY A 49 -9.437 -0.652 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.977 2.084 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.300 1.389 2.848 1.00 0.00 H new ATOM 659 N TRP A 50 -9.300 2.480 4.433 1.00 0.00 N ATOM 660 CA TRP A 50 -8.519 2.657 5.645 1.00 0.00 C ATOM 661 C TRP A 50 -9.431 2.569 6.863 1.00 0.00 C ATOM 662 O TRP A 50 -10.428 3.285 6.954 1.00 0.00 O ATOM 663 CB TRP A 50 -7.799 4.012 5.639 1.00 0.00 C ATOM 664 CG TRP A 50 -6.812 4.186 4.520 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.063 4.678 3.271 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.412 3.884 4.555 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.899 4.707 2.532 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.878 4.215 3.296 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.559 3.364 5.529 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.531 4.042 2.985 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.223 3.190 5.220 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.720 3.528 3.959 1.00 0.00 C ATOM 0 H TRP A 50 -9.747 3.331 4.092 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.770 1.867 5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.544 4.805 5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.279 4.137 6.589 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.031 4.997 2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.814 5.041 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.936 3.102 6.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.142 4.304 2.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.555 2.786 5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.671 3.380 3.751 1.00 0.00 H new ATOM 682 N GLY A 51 -9.092 1.687 7.787 1.00 0.00 N ATOM 683 CA GLY A 51 -9.894 1.516 8.983 1.00 0.00 C ATOM 684 C GLY A 51 -9.793 0.109 9.521 1.00 0.00 C ATOM 685 O GLY A 51 -9.674 -0.104 10.728 1.00 0.00 O ATOM 0 H GLY A 51 -8.272 1.082 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.567 2.223 9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.936 1.747 8.760 1.00 0.00 H new ATOM 689 N MET A 52 -9.841 -0.849 8.612 1.00 0.00 N ATOM 690 CA MET A 52 -9.744 -2.255 8.965 1.00 0.00 C ATOM 691 C MET A 52 -8.311 -2.720 8.766 1.00 0.00 C ATOM 692 O MET A 52 -7.434 -1.902 8.508 1.00 0.00 O ATOM 693 CB MET A 52 -10.717 -3.068 8.120 1.00 0.00 C ATOM 694 CG MET A 52 -11.802 -3.724 8.948 1.00 0.00 C ATOM 695 SD MET A 52 -13.110 -4.459 7.947 1.00 0.00 S ATOM 696 CE MET A 52 -14.183 -5.101 9.227 1.00 0.00 C ATOM 0 H MET A 52 -9.948 -0.676 7.613 1.00 0.00 H new ATOM 0 HA MET A 52 -10.012 -2.399 10.012 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.177 -2.418 7.376 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.166 -3.836 7.576 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.356 -4.496 9.575 1.00 0.00 H new ATOM 0 HG3 MET A 52 -12.238 -2.982 9.617 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.044 -5.588 8.769 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.636 -5.824 9.832 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.524 -4.282 9.860 1.00 0.00 H new ATOM 704 N GLN A 53 -8.052 -4.014 8.882 1.00 0.00 N ATOM 705 CA GLN A 53 -6.692 -4.493 8.724 1.00 0.00 C ATOM 706 C GLN A 53 -6.631 -5.837 8.013 1.00 0.00 C ATOM 707 O GLN A 53 -7.657 -6.483 7.789 1.00 0.00 O ATOM 708 CB GLN A 53 -6.025 -4.590 10.094 1.00 0.00 C ATOM 709 CG GLN A 53 -6.591 -5.677 10.992 1.00 0.00 C ATOM 710 CD GLN A 53 -5.936 -5.683 12.356 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.507 -4.644 12.858 1.00 0.00 O ATOM 712 NE2 GLN A 53 -5.849 -6.853 12.969 1.00 0.00 N ATOM 0 H GLN A 53 -8.748 -4.733 9.080 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.158 -3.778 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.959 -4.770 9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.122 -3.630 10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.665 -5.530 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.451 -6.648 10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.216 -7.692 12.521 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.415 -6.915 13.890 1.00 0.00 H new ATOM 719 N ASN A 54 -5.407 -6.228 7.649 1.00 0.00 N ATOM 720 CA ASN A 54 -5.138 -7.496 6.970 1.00 0.00 C ATOM 721 C ASN A 54 -5.790 -7.553 5.596 1.00 0.00 C ATOM 722 O ASN A 54 -6.374 -8.568 5.221 1.00 0.00 O ATOM 723 CB ASN A 54 -5.596 -8.688 7.822 1.00 0.00 C ATOM 724 CG ASN A 54 -4.553 -9.129 8.837 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.751 -8.193 9.323 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -4.466 -10.308 9.178 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.570 -5.670 7.819 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.059 -7.558 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.514 -8.422 8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.834 -9.526 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.101 -11.001 8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.759 -10.592 9.856 1.00 0.00 H new ATOM 732 N PHE A 55 -5.663 -6.471 4.832 1.00 0.00 N ATOM 733 CA PHE A 55 -6.253 -6.415 3.497 1.00 0.00 C ATOM 734 C PHE A 55 -5.622 -7.447 2.563 1.00 0.00 C ATOM 735 O PHE A 55 -6.295 -8.005 1.703 1.00 0.00 O ATOM 736 CB PHE A 55 -6.125 -5.009 2.890 1.00 0.00 C ATOM 737 CG PHE A 55 -4.749 -4.654 2.386 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.750 -4.264 3.262 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.461 -4.708 1.031 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.490 -3.931 2.798 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.206 -4.377 0.561 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.218 -3.989 1.446 1.00 0.00 C ATOM 0 H PHE A 55 -5.161 -5.628 5.111 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.311 -6.652 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.832 -4.921 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.420 -4.277 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.957 -4.219 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.228 -5.013 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.721 -3.626 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.996 -4.421 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.235 -3.732 1.080 1.00 0.00 H new ATOM 751 N SER A 56 -4.337 -7.718 2.743 1.00 0.00 N ATOM 752 CA SER A 56 -3.644 -8.676 1.895 1.00 0.00 C ATOM 753 C SER A 56 -4.187 -10.089 2.116 1.00 0.00 C ATOM 754 O SER A 56 -4.113 -10.945 1.236 1.00 0.00 O ATOM 755 CB SER A 56 -2.136 -8.616 2.151 1.00 0.00 C ATOM 756 OG SER A 56 -1.829 -8.856 3.514 1.00 0.00 O ATOM 0 H SER A 56 -3.756 -7.291 3.464 1.00 0.00 H new ATOM 0 HA SER A 56 -3.823 -8.413 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.631 -9.354 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.755 -7.638 1.858 1.00 0.00 H new ATOM 0 HG SER A 56 -0.859 -8.812 3.643 1.00 0.00 H new ATOM 761 N HIS A 57 -4.770 -10.313 3.287 1.00 0.00 N ATOM 762 CA HIS A 57 -5.337 -11.613 3.627 1.00 0.00 C ATOM 763 C HIS A 57 -6.682 -11.837 2.943 1.00 0.00 C ATOM 764 O HIS A 57 -7.265 -12.916 3.046 1.00 0.00 O ATOM 765 CB HIS A 57 -5.507 -11.744 5.140 1.00 0.00 C ATOM 766 CG HIS A 57 -4.301 -12.278 5.847 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.288 -11.479 6.334 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.954 -13.547 6.155 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.375 -12.237 6.911 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.756 -13.494 6.817 1.00 0.00 N ATOM 0 H HIS A 57 -4.863 -9.609 4.020 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.641 -12.372 3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.753 -10.766 5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.354 -12.399 5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.517 -14.439 5.922 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.468 -11.886 7.381 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.242 -14.298 7.178 1.00 0.00 H new ATOM 778 N SER A 58 -7.186 -10.814 2.269 1.00 0.00 N ATOM 779 CA SER A 58 -8.456 -10.920 1.570 1.00 0.00 C ATOM 780 C SER A 58 -8.378 -10.250 0.200 1.00 0.00 C ATOM 781 O SER A 58 -9.380 -9.770 -0.327 1.00 0.00 O ATOM 782 CB SER A 58 -9.575 -10.300 2.412 1.00 0.00 C ATOM 783 OG SER A 58 -9.631 -10.904 3.693 1.00 0.00 O ATOM 0 H SER A 58 -6.735 -9.902 2.192 1.00 0.00 H new ATOM 0 HA SER A 58 -8.680 -11.976 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.407 -9.228 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.531 -10.424 1.904 1.00 0.00 H new ATOM 0 HG SER A 58 -10.237 -10.393 4.269 1.00 0.00 H new ATOM 788 N SER A 59 -7.184 -10.214 -0.378 1.00 0.00 N ATOM 789 CA SER A 59 -7.008 -9.609 -1.692 1.00 0.00 C ATOM 790 C SER A 59 -6.015 -10.396 -2.535 1.00 0.00 C ATOM 791 O SER A 59 -5.092 -11.027 -2.012 1.00 0.00 O ATOM 792 CB SER A 59 -6.566 -8.149 -1.571 1.00 0.00 C ATOM 793 OG SER A 59 -5.423 -8.022 -0.748 1.00 0.00 O ATOM 0 H SER A 59 -6.332 -10.592 0.037 1.00 0.00 H new ATOM 0 HA SER A 59 -7.975 -9.635 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.349 -7.750 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.381 -7.554 -1.159 1.00 0.00 H new ATOM 0 HG SER A 59 -5.702 -7.833 0.172 1.00 0.00 H new ATOM 798 N GLU A 60 -6.222 -10.358 -3.843 1.00 0.00 N ATOM 799 CA GLU A 60 -5.368 -11.063 -4.783 1.00 0.00 C ATOM 800 C GLU A 60 -4.786 -10.092 -5.808 1.00 0.00 C ATOM 801 O GLU A 60 -5.416 -9.082 -6.133 1.00 0.00 O ATOM 802 CB GLU A 60 -6.171 -12.161 -5.481 1.00 0.00 C ATOM 803 CG GLU A 60 -6.691 -13.225 -4.522 1.00 0.00 C ATOM 804 CD GLU A 60 -7.614 -14.219 -5.191 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.258 -14.733 -6.274 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.699 -14.495 -4.637 1.00 0.00 O ATOM 0 H GLU A 60 -6.984 -9.839 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.540 -11.519 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.014 -11.709 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.545 -12.636 -6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.846 -13.758 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.220 -12.740 -3.702 1.00 0.00 H new ATOM 811 N ASP A 61 -3.587 -10.410 -6.302 1.00 0.00 N ATOM 812 CA ASP A 61 -2.883 -9.586 -7.295 1.00 0.00 C ATOM 813 C ASP A 61 -2.734 -8.142 -6.810 1.00 0.00 C ATOM 814 O ASP A 61 -3.460 -7.245 -7.237 1.00 0.00 O ATOM 815 CB ASP A 61 -3.603 -9.630 -8.649 1.00 0.00 C ATOM 816 CG ASP A 61 -2.800 -8.977 -9.758 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.778 -9.557 -10.180 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.200 -7.896 -10.239 1.00 0.00 O ATOM 0 H ASP A 61 -3.074 -11.247 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.884 -10.002 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.806 -10.667 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.567 -9.129 -8.560 1.00 0.00 H new ATOM 822 N ILE A 62 -1.783 -7.932 -5.910 1.00 0.00 N ATOM 823 CA ILE A 62 -1.529 -6.612 -5.344 1.00 0.00 C ATOM 824 C ILE A 62 -0.397 -5.907 -6.092 1.00 0.00 C ATOM 825 O ILE A 62 0.743 -6.378 -6.092 1.00 0.00 O ATOM 826 CB ILE A 62 -1.168 -6.718 -3.846 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.300 -7.414 -3.082 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.891 -5.340 -3.262 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.002 -7.641 -1.615 1.00 0.00 C ATOM 0 H ILE A 62 -1.170 -8.665 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.442 -6.027 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.261 -7.315 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.206 -6.815 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.506 -8.375 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.639 -5.436 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.058 -4.880 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.778 -4.715 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.850 -8.138 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.115 -8.267 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.826 -6.682 -1.127 1.00 0.00 H new ATOM 840 N LYS A 63 -0.712 -4.777 -6.718 1.00 0.00 N ATOM 841 CA LYS A 63 0.276 -4.021 -7.477 1.00 0.00 C ATOM 842 C LYS A 63 0.058 -2.517 -7.301 1.00 0.00 C ATOM 843 O LYS A 63 -1.065 -2.067 -7.084 1.00 0.00 O ATOM 844 CB LYS A 63 0.172 -4.385 -8.959 1.00 0.00 C ATOM 845 CG LYS A 63 1.414 -4.052 -9.766 1.00 0.00 C ATOM 846 CD LYS A 63 2.591 -4.912 -9.336 1.00 0.00 C ATOM 847 CE LYS A 63 3.798 -4.709 -10.235 1.00 0.00 C ATOM 848 NZ LYS A 63 4.877 -5.684 -9.932 1.00 0.00 N ATOM 0 H LYS A 63 -1.645 -4.365 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 63 1.269 -4.274 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.030 -5.452 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.681 -3.862 -9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.215 -4.206 -10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.663 -2.999 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.860 -4.672 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.299 -5.962 -9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.497 -4.811 -11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.178 -3.695 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.685 -5.516 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.181 -5.569 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.521 -6.651 -10.075 1.00 0.00 H new ATOM 858 N LEU A 64 1.133 -1.749 -7.389 1.00 0.00 N ATOM 859 CA LEU A 64 1.060 -0.295 -7.252 1.00 0.00 C ATOM 860 C LEU A 64 0.903 0.360 -8.621 1.00 0.00 C ATOM 861 O LEU A 64 1.458 -0.118 -9.612 1.00 0.00 O ATOM 862 CB LEU A 64 2.326 0.225 -6.567 1.00 0.00 C ATOM 863 CG LEU A 64 2.509 -0.217 -5.116 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.941 0.022 -4.662 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.536 0.518 -4.208 1.00 0.00 C ATOM 0 H LEU A 64 2.073 -2.107 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 64 0.192 -0.042 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.192 -0.103 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.316 1.314 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 64 2.300 -1.285 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.053 -0.299 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.623 -0.547 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.175 1.084 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.681 0.190 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.715 1.591 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.514 0.300 -4.518 1.00 0.00 H new ATOM 876 N GLU A 65 0.143 1.451 -8.675 1.00 0.00 N ATOM 877 CA GLU A 65 -0.082 2.165 -9.931 1.00 0.00 C ATOM 878 C GLU A 65 0.781 3.415 -10.038 1.00 0.00 C ATOM 879 O GLU A 65 1.639 3.518 -10.913 1.00 0.00 O ATOM 880 CB GLU A 65 -1.543 2.586 -10.073 1.00 0.00 C ATOM 881 CG GLU A 65 -2.525 1.438 -10.106 1.00 0.00 C ATOM 882 CD GLU A 65 -3.826 1.835 -10.768 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.610 2.588 -10.153 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.062 1.413 -11.918 1.00 0.00 O ATOM 0 H GLU A 65 -0.327 1.860 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 65 0.188 1.470 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.801 3.244 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.653 3.168 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.085 0.598 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.723 1.098 -9.089 1.00 0.00 H new ATOM 889 N GLU A 66 0.542 4.365 -9.142 1.00 0.00 N ATOM 890 CA GLU A 66 1.261 5.638 -9.143 1.00 0.00 C ATOM 891 C GLU A 66 2.633 5.517 -8.510 1.00 0.00 C ATOM 892 O GLU A 66 3.062 6.384 -7.746 1.00 0.00 O ATOM 893 CB GLU A 66 0.441 6.685 -8.410 1.00 0.00 C ATOM 894 CG GLU A 66 -0.990 6.715 -8.881 1.00 0.00 C ATOM 895 CD GLU A 66 -1.114 7.044 -10.356 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.075 8.240 -10.712 1.00 0.00 O ATOM 897 OE2 GLU A 66 -1.241 6.102 -11.168 1.00 0.00 O ATOM 0 H GLU A 66 -0.150 4.278 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 66 1.407 5.939 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.466 6.480 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.892 7.667 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.452 5.746 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.544 7.453 -8.301 1.00 0.00 H new ATOM 902 N GLY A 67 3.293 4.421 -8.809 1.00 0.00 N ATOM 903 CA GLY A 67 4.625 4.179 -8.298 1.00 0.00 C ATOM 904 C GLY A 67 4.668 4.044 -6.793 1.00 0.00 C ATOM 905 O GLY A 67 5.710 4.260 -6.183 1.00 0.00 O ATOM 0 H GLY A 67 2.928 3.679 -9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.021 3.270 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.278 4.997 -8.602 1.00 0.00 H new ATOM 909 N GLY A 68 3.534 3.709 -6.187 1.00 0.00 N ATOM 910 CA GLY A 68 3.504 3.544 -4.750 1.00 0.00 C ATOM 911 C GLY A 68 2.528 4.478 -4.072 1.00 0.00 C ATOM 912 O GLY A 68 2.257 4.344 -2.885 1.00 0.00 O ATOM 0 H GLY A 68 2.645 3.551 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.238 2.514 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.503 3.716 -4.348 1.00 0.00 H new ATOM 916 N ARG A 69 1.991 5.420 -4.824 1.00 0.00 N ATOM 917 CA ARG A 69 1.042 6.377 -4.274 1.00 0.00 C ATOM 918 C ARG A 69 -0.387 5.848 -4.412 1.00 0.00 C ATOM 919 O ARG A 69 -1.348 6.449 -3.931 1.00 0.00 O ATOM 920 CB ARG A 69 1.230 7.718 -4.985 1.00 0.00 C ATOM 921 CG ARG A 69 0.392 8.860 -4.443 1.00 0.00 C ATOM 922 CD ARG A 69 1.018 10.196 -4.799 1.00 0.00 C ATOM 923 NE ARG A 69 1.476 10.236 -6.190 1.00 0.00 N ATOM 924 CZ ARG A 69 0.914 10.971 -7.149 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.127 11.745 -6.884 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.406 10.933 -8.379 1.00 0.00 N ATOM 0 H ARG A 69 2.193 5.545 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 69 1.224 6.521 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.281 7.999 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.996 7.587 -6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.617 8.804 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.302 8.771 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.292 10.992 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.860 10.390 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 69 2.280 9.662 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.507 11.783 -5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.549 12.303 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.211 10.343 -8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.979 11.494 -9.117 1.00 0.00 H new ATOM 937 N LYS A 70 -0.507 4.690 -5.041 1.00 0.00 N ATOM 938 CA LYS A 70 -1.797 4.056 -5.258 1.00 0.00 C ATOM 939 C LYS A 70 -1.629 2.545 -5.301 1.00 0.00 C ATOM 940 O LYS A 70 -0.846 2.031 -6.101 1.00 0.00 O ATOM 941 CB LYS A 70 -2.404 4.545 -6.572 1.00 0.00 C ATOM 942 CG LYS A 70 -3.758 3.928 -6.898 1.00 0.00 C ATOM 943 CD LYS A 70 -4.882 4.546 -6.080 1.00 0.00 C ATOM 944 CE LYS A 70 -5.288 5.906 -6.622 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.799 5.817 -8.014 1.00 0.00 N ATOM 0 H LYS A 70 0.284 4.165 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.464 4.320 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.511 5.629 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.711 4.325 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.969 4.059 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.721 2.855 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.745 3.880 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.564 4.648 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.056 6.338 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.431 6.579 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.422 6.627 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.999 5.829 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.334 4.933 -8.132 1.00 0.00 H new ATOM 955 N LEU A 71 -2.351 1.845 -4.441 1.00 0.00 N ATOM 956 CA LEU A 71 -2.281 0.393 -4.386 1.00 0.00 C ATOM 957 C LEU A 71 -3.534 -0.201 -5.005 1.00 0.00 C ATOM 958 O LEU A 71 -4.653 0.177 -4.656 1.00 0.00 O ATOM 959 CB LEU A 71 -2.122 -0.077 -2.933 1.00 0.00 C ATOM 960 CG LEU A 71 -1.810 -1.565 -2.735 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.063 -1.775 -1.429 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.083 -2.399 -2.731 1.00 0.00 C ATOM 0 H LEU A 71 -2.995 2.261 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.413 0.054 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.325 0.505 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.041 0.155 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.187 -1.888 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.847 -2.836 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.128 -1.214 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.677 -1.426 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.829 -3.449 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.731 -2.069 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.601 -2.276 -3.682 1.00 0.00 H new ATOM 973 N THR A 72 -3.345 -1.118 -5.932 1.00 0.00 N ATOM 974 CA THR A 72 -4.459 -1.762 -6.596 1.00 0.00 C ATOM 975 C THR A 72 -4.394 -3.267 -6.438 1.00 0.00 C ATOM 976 O THR A 72 -3.333 -3.876 -6.580 1.00 0.00 O ATOM 977 CB THR A 72 -4.513 -1.414 -8.093 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.192 -1.441 -8.660 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.148 -0.051 -8.303 1.00 0.00 C ATOM 0 H THR A 72 -2.427 -1.435 -6.243 1.00 0.00 H new ATOM 0 HA THR A 72 -5.364 -1.386 -6.118 1.00 0.00 H new ATOM 0 HB THR A 72 -5.126 -2.161 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.567 -1.832 -8.014 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.177 0.177 -9.369 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.163 -0.057 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.561 0.708 -7.786 1.00 0.00 H new ATOM 987 N CYS A 73 -5.531 -3.852 -6.129 1.00 0.00 N ATOM 988 CA CYS A 73 -5.641 -5.283 -5.952 1.00 0.00 C ATOM 989 C CYS A 73 -7.100 -5.670 -6.045 1.00 0.00 C ATOM 990 O CYS A 73 -7.971 -4.805 -6.151 1.00 0.00 O ATOM 991 CB CYS A 73 -5.050 -5.712 -4.604 1.00 0.00 C ATOM 992 SG CYS A 73 -5.770 -4.879 -3.170 1.00 0.00 S ATOM 0 H CYS A 73 -6.407 -3.347 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.076 -5.792 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.184 -6.788 -4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.976 -5.524 -4.616 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.203 -5.315 -2.085 1.00 0.00 H new ATOM 997 N ARG A 74 -7.375 -6.953 -6.032 1.00 0.00 N ATOM 998 CA ARG A 74 -8.741 -7.415 -6.108 1.00 0.00 C ATOM 999 C ARG A 74 -9.167 -8.019 -4.781 1.00 0.00 C ATOM 1000 O ARG A 74 -8.829 -9.166 -4.473 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.886 -8.427 -7.242 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.271 -9.047 -7.355 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.314 -10.074 -8.475 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.627 -10.698 -8.615 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.970 -11.463 -9.653 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.085 -11.728 -10.604 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.191 -11.974 -9.736 1.00 0.00 N ATOM 0 H ARG A 74 -6.675 -7.692 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.394 -6.568 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.642 -7.936 -8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.155 -9.223 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.540 -9.521 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.009 -8.267 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.042 -9.593 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.568 -10.845 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.318 -10.541 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.141 -11.347 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.348 -12.313 -11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.875 -11.783 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.446 -12.558 -10.532 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.876 -7.233 -3.962 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.373 -7.696 -2.678 1.00 0.00 C ATOM 1020 C PRO A 75 -11.482 -8.711 -2.887 1.00 0.00 C ATOM 1021 O PRO A 75 -12.371 -8.502 -3.715 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.904 -6.430 -2.002 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.193 -5.482 -3.114 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.250 -5.834 -4.234 1.00 0.00 C ATOM 0 HA PRO A 75 -9.610 -8.191 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.802 -6.641 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.169 -6.015 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.230 -5.570 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.045 -4.451 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.731 -5.732 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.377 -5.182 -4.240 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.392 -9.818 -2.173 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.366 -10.886 -2.279 1.00 0.00 C ATOM 1031 C LYS A 76 -13.040 -11.160 -0.941 1.00 0.00 C ATOM 1032 O LYS A 76 -12.409 -11.077 0.111 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.682 -12.140 -2.830 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.329 -12.440 -2.193 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.445 -13.350 -0.984 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.524 -14.809 -1.393 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.304 -15.246 -2.125 1.00 0.00 N ATOM 0 H LYS A 76 -10.643 -10.001 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.153 -10.581 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.340 -12.996 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.548 -12.025 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.678 -12.905 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.856 -11.504 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.586 -13.200 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.332 -13.083 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.657 -15.428 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.400 -14.963 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.195 -16.276 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.394 -14.995 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.470 -14.773 -1.723 1.00 0.00 H new ATOM 1047 N THR A 77 -14.332 -11.469 -0.986 1.00 0.00 N ATOM 1048 CA THR A 77 -15.081 -11.759 0.222 1.00 0.00 C ATOM 1049 C THR A 77 -14.751 -13.156 0.704 1.00 0.00 C ATOM 1050 O THR A 77 -14.580 -14.079 -0.104 1.00 0.00 O ATOM 1051 CB THR A 77 -16.609 -11.656 0.015 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.275 -11.739 1.278 1.00 0.00 O ATOM 1053 CG2 THR A 77 -17.118 -12.770 -0.890 1.00 0.00 C ATOM 0 H THR A 77 -14.877 -11.524 -1.846 1.00 0.00 H new ATOM 0 HA THR A 77 -14.791 -11.012 0.961 1.00 0.00 H new ATOM 0 HB THR A 77 -16.820 -10.697 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.243 -11.672 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.196 -12.671 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.630 -12.701 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.893 -13.737 -0.439 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.693 -13.305 2.018 1.00 0.00 N ATOM 1062 CA VAL A 78 -14.378 -14.577 2.643 1.00 0.00 C ATOM 1063 C VAL A 78 -15.577 -15.522 2.628 1.00 0.00 C ATOM 1064 O VAL A 78 -15.509 -16.634 3.153 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.882 -14.388 4.091 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -12.538 -13.678 4.095 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.900 -13.614 4.914 1.00 0.00 C ATOM 0 H VAL A 78 -14.863 -12.547 2.680 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.576 -15.024 2.056 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.759 -15.371 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.197 -13.550 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.810 -14.273 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.641 -12.701 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.529 -13.493 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.059 -12.633 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.843 -14.161 4.934 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.686 -15.067 2.046 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.885 -15.894 1.939 1.00 0.00 C ATOM 1079 C ASP A 79 -17.642 -17.020 0.950 1.00 0.00 C ATOM 1080 O ASP A 79 -18.151 -18.130 1.105 1.00 0.00 O ATOM 1081 CB ASP A 79 -19.095 -15.082 1.464 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.609 -14.092 2.488 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.222 -14.183 3.671 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.417 -13.219 2.106 1.00 0.00 O ATOM 0 H ASP A 79 -16.778 -14.134 1.643 1.00 0.00 H new ATOM 0 HA ASP A 79 -18.099 -16.290 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.825 -14.543 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.900 -15.768 1.200 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.856 -16.715 -0.074 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.548 -17.699 -1.091 1.00 0.00 C ATOM 1090 C GLY A 80 -15.290 -17.367 -1.867 1.00 0.00 C ATOM 1091 O GLY A 80 -14.767 -18.209 -2.596 1.00 0.00 O ATOM 0 H GLY A 80 -16.426 -15.801 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.433 -18.676 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.387 -17.775 -1.783 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.798 -16.140 -1.715 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.598 -15.730 -2.416 1.00 0.00 C ATOM 1097 C GLY A 81 -13.911 -14.969 -3.680 1.00 0.00 C ATOM 1098 O GLY A 81 -13.075 -14.856 -4.577 1.00 0.00 O ATOM 0 H GLY A 81 -15.211 -15.424 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.990 -15.107 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.003 -16.610 -2.661 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.119 -14.439 -3.747 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.568 -13.693 -4.918 1.00 0.00 C ATOM 1104 C PHE A 82 -15.735 -12.228 -4.564 1.00 0.00 C ATOM 1105 O PHE A 82 -15.941 -11.919 -3.397 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.883 -14.276 -5.457 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.961 -14.432 -4.418 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.857 -13.407 -4.165 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.075 -15.609 -3.695 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.844 -13.552 -3.208 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.060 -15.760 -2.738 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.945 -14.729 -2.495 1.00 0.00 C ATOM 0 H PHE A 82 -15.813 -14.510 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.815 -13.779 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.253 -13.632 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.680 -15.250 -5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.784 -12.484 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.385 -16.418 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.536 -12.744 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.137 -16.682 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.716 -14.843 -1.747 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.644 -11.338 -5.555 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.798 -9.900 -5.318 1.00 0.00 C ATOM 1123 C ARG A 83 -15.446 -9.088 -6.561 1.00 0.00 C ATOM 1124 O ARG A 83 -15.623 -9.552 -7.690 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.911 -9.460 -4.168 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.576 -8.523 -3.179 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.526 -9.273 -2.260 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.878 -9.354 -2.800 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.971 -9.020 -2.114 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.866 -8.535 -0.880 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.169 -9.148 -2.669 1.00 0.00 N ATOM 0 H ARG A 83 -15.465 -11.587 -6.528 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.844 -9.719 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.566 -10.345 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.027 -8.969 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.814 -8.018 -2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.123 -7.750 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.144 -10.280 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.555 -8.777 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.994 -9.685 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.946 -8.417 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.705 -8.281 -0.359 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.255 -9.502 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.005 -8.892 -2.143 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.918 -7.885 -6.342 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.575 -6.978 -7.426 1.00 0.00 C ATOM 1144 C GLU A 84 -13.202 -6.355 -7.208 1.00 0.00 C ATOM 1145 O GLU A 84 -12.738 -6.243 -6.076 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.650 -5.888 -7.521 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.072 -5.319 -6.172 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.333 -4.485 -6.265 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.233 -3.277 -6.562 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.436 -5.039 -6.051 1.00 0.00 O ATOM 0 H GLU A 84 -14.718 -7.517 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.535 -7.538 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.277 -5.077 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.527 -6.299 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.232 -6.137 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.264 -4.707 -5.770 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.547 -5.971 -8.299 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.229 -5.352 -8.217 1.00 0.00 C ATOM 1157 C ARG A 85 -11.367 -3.846 -8.065 1.00 0.00 C ATOM 1158 O ARG A 85 -12.313 -3.245 -8.581 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.388 -5.664 -9.457 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.956 -5.161 -9.352 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.159 -5.447 -10.610 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.749 -5.108 -10.446 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.786 -6.013 -10.274 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.074 -7.307 -10.295 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.532 -5.631 -10.099 1.00 0.00 N ATOM 0 H ARG A 85 -12.906 -6.077 -9.248 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.722 -5.765 -7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.377 -6.742 -9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.861 -5.216 -10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.962 -4.088 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.468 -5.632 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.252 -6.502 -10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.575 -4.878 -11.441 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.486 -4.123 -10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.036 -7.613 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.334 -7.996 -10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.297 -4.638 -10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.800 -6.329 -9.968 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.408 -3.241 -7.384 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.430 -1.803 -7.147 1.00 0.00 C ATOM 1178 C GLN A 86 -9.070 -1.303 -6.670 1.00 0.00 C ATOM 1179 O GLN A 86 -8.134 -2.085 -6.496 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.513 -1.464 -6.121 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.400 -2.274 -4.843 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.640 -2.178 -3.981 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -12.669 -1.206 -3.092 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.567 -2.969 -4.116 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.602 -3.722 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.658 -1.302 -8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.454 -0.403 -5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.493 -1.635 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.217 -3.319 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.538 -1.928 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.508 -3.709 -4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.397 -2.887 -3.529 1.00 0.00 H new ATOM 1191 N GLY A 87 -8.967 0.001 -6.474 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.724 0.586 -6.022 1.00 0.00 C ATOM 1193 C GLY A 87 -7.921 1.536 -4.862 1.00 0.00 C ATOM 1194 O GLY A 87 -8.980 2.151 -4.723 1.00 0.00 O ATOM 0 H GLY A 87 -9.725 0.667 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.039 -0.208 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.255 1.119 -6.849 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.904 1.647 -4.027 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.939 2.523 -2.869 1.00 0.00 C ATOM 1200 C ILE A 88 -5.710 3.429 -2.877 1.00 0.00 C ATOM 1201 O ILE A 88 -4.591 2.975 -3.143 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.007 1.709 -1.551 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.967 2.641 -0.335 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.877 0.686 -1.485 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.064 1.911 0.988 1.00 0.00 C ATOM 0 H ILE A 88 -6.030 1.132 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.839 3.136 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.954 1.169 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.041 3.215 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.787 3.356 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.946 0.127 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.959 -0.002 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.917 1.201 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.029 2.632 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.003 1.359 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.230 1.216 1.082 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.915 4.712 -2.622 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.814 5.662 -2.623 1.00 0.00 C ATOM 1218 C ASP A 89 -4.000 5.535 -1.340 1.00 0.00 C ATOM 1219 O ASP A 89 -4.552 5.339 -0.254 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.327 7.096 -2.809 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.931 7.688 -1.550 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.127 7.442 -1.287 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.211 8.410 -0.825 1.00 0.00 O ATOM 0 H ASP A 89 -6.827 5.117 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.162 5.431 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.503 7.729 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.075 7.106 -3.602 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.686 5.636 -1.475 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.788 5.510 -0.336 1.00 0.00 C ATOM 1229 C LEU A 90 -1.233 6.858 0.064 1.00 0.00 C ATOM 1230 O LEU A 90 -0.070 6.985 0.447 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.643 4.577 -0.676 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.058 3.209 -1.184 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.178 2.391 -1.456 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.974 2.516 -0.187 1.00 0.00 C ATOM 0 H LEU A 90 -2.217 5.805 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.357 5.102 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.018 5.054 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.025 4.446 0.212 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.621 3.320 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.111 1.406 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.788 2.892 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.752 2.282 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.258 1.537 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.453 2.394 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.869 3.120 -0.035 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.079 7.859 -0.007 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.689 9.217 0.341 1.00 0.00 C ATOM 1247 C ASN A 91 -1.585 9.379 1.849 1.00 0.00 C ATOM 1248 O ASN A 91 -1.252 10.450 2.354 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.682 10.219 -0.240 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.470 10.448 -1.725 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.100 9.632 -2.552 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.740 11.357 -2.124 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.050 7.763 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.707 9.413 -0.089 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.697 9.860 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.588 11.168 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.271 11.966 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.605 11.500 -3.125 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.856 8.297 2.560 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.786 8.291 4.009 1.00 0.00 C ATOM 1260 C ARG A 92 -0.407 7.853 4.476 1.00 0.00 C ATOM 1261 O ARG A 92 -0.100 7.904 5.659 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.836 7.354 4.594 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.253 7.874 4.501 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.114 7.264 5.588 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.759 7.777 6.909 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.599 7.833 7.941 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.854 7.424 7.812 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.177 8.303 9.110 1.00 0.00 N ATOM 0 H ARG A 92 -2.129 7.404 2.151 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.978 9.306 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.778 6.395 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.597 7.168 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.255 8.960 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.670 7.637 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.163 7.478 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.002 6.180 5.576 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.807 8.114 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.183 7.063 6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.490 7.471 8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.213 8.619 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.817 8.348 9.903 1.00 0.00 H new ATOM 1279 N ILE A 93 0.419 7.411 3.544 1.00 0.00 N ATOM 1280 CA ILE A 93 1.755 6.954 3.881 1.00 0.00 C ATOM 1281 C ILE A 93 2.763 8.066 3.612 1.00 0.00 C ATOM 1282 O ILE A 93 3.095 8.371 2.465 1.00 0.00 O ATOM 1283 CB ILE A 93 2.111 5.664 3.102 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.976 4.650 3.247 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.410 5.052 3.609 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.610 4.361 4.693 1.00 0.00 C ATOM 0 H ILE A 93 0.189 7.359 2.552 1.00 0.00 H new ATOM 0 HA ILE A 93 1.789 6.708 4.942 1.00 0.00 H new ATOM 0 HB ILE A 93 2.245 5.926 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.095 5.023 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.265 3.719 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.632 4.148 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.223 5.768 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.307 4.802 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.202 3.634 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.478 3.958 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.290 5.283 5.179 1.00 0.00 H new ATOM 1297 N GLN A 94 3.219 8.687 4.690 1.00 0.00 N ATOM 1298 CA GLN A 94 4.157 9.792 4.609 1.00 0.00 C ATOM 1299 C GLN A 94 5.553 9.368 5.047 1.00 0.00 C ATOM 1300 O GLN A 94 5.722 8.386 5.769 1.00 0.00 O ATOM 1301 CB GLN A 94 3.671 10.937 5.503 1.00 0.00 C ATOM 1302 CG GLN A 94 3.148 12.142 4.744 1.00 0.00 C ATOM 1303 CD GLN A 94 4.260 12.972 4.133 1.00 0.00 C ATOM 1304 OE1 GLN A 94 4.641 12.645 2.913 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 4.778 13.897 4.759 1.00 0.00 N flip ATOM 0 H GLN A 94 2.949 8.439 5.642 1.00 0.00 H new ATOM 0 HA GLN A 94 4.210 10.119 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.882 10.563 6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.492 11.255 6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.475 11.806 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.562 12.766 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.455 14.119 5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.530 14.441 4.336 1.00 0.00 H new ATOM 1312 N ASN A 95 6.547 10.105 4.594 1.00 0.00 N ATOM 1313 CA ASN A 95 7.925 9.840 4.965 1.00 0.00 C ATOM 1314 C ASN A 95 8.456 10.998 5.806 1.00 0.00 C ATOM 1315 O ASN A 95 8.400 12.156 5.394 1.00 0.00 O ATOM 1316 CB ASN A 95 8.812 9.604 3.730 1.00 0.00 C ATOM 1317 CG ASN A 95 8.821 10.763 2.743 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.824 11.467 2.569 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.953 10.958 2.080 1.00 0.00 N ATOM 0 H ASN A 95 6.426 10.898 3.964 1.00 0.00 H new ATOM 0 HA ASN A 95 7.954 8.924 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.833 9.413 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.470 8.705 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.021 11.713 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.756 10.353 2.253 1.00 0.00 H new ATOM 1325 N VAL A 96 8.952 10.684 6.993 1.00 0.00 N ATOM 1326 CA VAL A 96 9.475 11.698 7.898 1.00 0.00 C ATOM 1327 C VAL A 96 10.993 11.606 7.956 1.00 0.00 C ATOM 1328 O VAL A 96 11.537 10.647 8.488 1.00 0.00 O ATOM 1329 CB VAL A 96 8.893 11.539 9.323 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.386 12.652 10.236 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.370 11.510 9.284 1.00 0.00 C ATOM 0 H VAL A 96 9.004 9.731 7.354 1.00 0.00 H new ATOM 0 HA VAL A 96 9.177 12.674 7.515 1.00 0.00 H new ATOM 0 HB VAL A 96 9.242 10.589 9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.964 12.519 11.232 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.474 12.619 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.074 13.616 9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.982 11.398 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.999 12.441 8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.038 10.671 8.673 1.00 0.00 H new ATOM 1341 N ASN A 97 11.669 12.591 7.379 1.00 0.00 N ATOM 1342 CA ASN A 97 13.136 12.618 7.350 1.00 0.00 C ATOM 1343 C ASN A 97 13.708 11.370 6.678 1.00 0.00 C ATOM 1344 O ASN A 97 14.854 10.992 6.917 1.00 0.00 O ATOM 1345 CB ASN A 97 13.721 12.771 8.758 1.00 0.00 C ATOM 1346 CG ASN A 97 13.907 14.223 9.156 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.963 14.810 8.922 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.889 14.815 9.759 1.00 0.00 N ATOM 0 H ASN A 97 11.227 13.388 6.921 1.00 0.00 H new ATOM 0 HA ASN A 97 13.424 13.488 6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.063 12.282 9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.682 12.259 8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.964 15.791 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.029 14.296 9.936 1.00 0.00 H new ATOM 1354 N GLY A 98 12.897 10.720 5.855 1.00 0.00 N ATOM 1355 CA GLY A 98 13.353 9.543 5.142 1.00 0.00 C ATOM 1356 C GLY A 98 12.658 8.261 5.562 1.00 0.00 C ATOM 1357 O GLY A 98 12.571 7.319 4.775 1.00 0.00 O ATOM 0 H GLY A 98 11.930 10.987 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.199 9.695 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.426 9.430 5.296 1.00 0.00 H new ATOM 1361 N ARG A 99 12.150 8.215 6.784 1.00 0.00 N ATOM 1362 CA ARG A 99 11.486 7.012 7.280 1.00 0.00 C ATOM 1363 C ARG A 99 10.018 7.010 6.889 1.00 0.00 C ATOM 1364 O ARG A 99 9.394 8.062 6.802 1.00 0.00 O ATOM 1365 CB ARG A 99 11.626 6.910 8.799 1.00 0.00 C ATOM 1366 CG ARG A 99 10.819 7.935 9.577 1.00 0.00 C ATOM 1367 CD ARG A 99 11.680 8.645 10.607 1.00 0.00 C ATOM 1368 NE ARG A 99 12.355 7.703 11.499 1.00 0.00 N ATOM 1369 CZ ARG A 99 13.280 8.050 12.389 1.00 0.00 C ATOM 1370 NH1 ARG A 99 13.615 9.328 12.537 1.00 0.00 N ATOM 1371 NH2 ARG A 99 13.866 7.116 13.129 1.00 0.00 N ATOM 0 H ARG A 99 12.182 8.988 7.448 1.00 0.00 H new ATOM 0 HA ARG A 99 11.968 6.146 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.321 5.912 9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.678 7.019 9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.394 8.666 8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.984 7.442 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.423 9.258 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.059 9.320 11.196 1.00 0.00 H new ATOM 0 HE ARG A 99 12.100 6.717 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.162 10.043 11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.325 9.593 13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.606 6.136 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.576 7.378 13.813 1.00 0.00 H new ATOM 1382 N LEU A 100 9.469 5.831 6.661 1.00 0.00 N ATOM 1383 CA LEU A 100 8.077 5.714 6.268 1.00 0.00 C ATOM 1384 C LEU A 100 7.198 5.517 7.491 1.00 0.00 C ATOM 1385 O LEU A 100 7.403 4.586 8.269 1.00 0.00 O ATOM 1386 CB LEU A 100 7.892 4.554 5.290 1.00 0.00 C ATOM 1387 CG LEU A 100 7.126 4.912 4.020 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.852 6.008 3.269 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.951 3.687 3.136 1.00 0.00 C ATOM 0 H LEU A 100 9.964 4.943 6.741 1.00 0.00 H new ATOM 0 HA LEU A 100 7.781 6.637 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.874 4.171 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.367 3.746 5.800 1.00 0.00 H new ATOM 0 HG LEU A 100 6.136 5.273 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.298 6.257 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.930 6.892 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.851 5.665 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.402 3.963 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.930 3.296 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.395 2.923 3.679 1.00 0.00 H new ATOM 1400 N VAL A 101 6.233 6.408 7.660 1.00 0.00 N ATOM 1401 CA VAL A 101 5.313 6.353 8.785 1.00 0.00 C ATOM 1402 C VAL A 101 3.888 6.564 8.292 1.00 0.00 C ATOM 1403 O VAL A 101 3.647 7.363 7.384 1.00 0.00 O ATOM 1404 CB VAL A 101 5.645 7.435 9.845 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.748 7.300 11.066 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.109 7.372 10.256 1.00 0.00 C ATOM 0 H VAL A 101 6.066 7.187 7.023 1.00 0.00 H new ATOM 0 HA VAL A 101 5.413 5.372 9.249 1.00 0.00 H new ATOM 0 HB VAL A 101 5.459 8.407 9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.004 8.072 11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.706 7.414 10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.891 6.317 11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.312 8.142 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.326 6.392 10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.740 7.537 9.382 1.00 0.00 H new ATOM 1416 N PHE A 102 2.946 5.844 8.874 1.00 0.00 N ATOM 1417 CA PHE A 102 1.555 5.978 8.492 1.00 0.00 C ATOM 1418 C PHE A 102 0.956 7.226 9.126 1.00 0.00 C ATOM 1419 O PHE A 102 1.188 7.514 10.301 1.00 0.00 O ATOM 1420 CB PHE A 102 0.754 4.736 8.901 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.724 4.991 9.005 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.520 5.068 7.870 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.311 5.181 10.246 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.866 5.326 7.975 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.660 5.445 10.353 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.438 5.515 9.217 1.00 0.00 C ATOM 0 H PHE A 102 3.120 5.162 9.612 1.00 0.00 H new ATOM 0 HA PHE A 102 1.504 6.073 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.929 3.943 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.122 4.374 9.861 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.077 4.924 6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.706 5.122 11.138 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.476 5.381 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.106 5.597 11.325 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.496 5.718 9.299 1.00 0.00 H new ATOM 1435 N GLN A 103 0.197 7.961 8.335 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.443 9.178 8.797 1.00 0.00 C ATOM 1437 C GLN A 103 -1.957 9.066 8.662 1.00 0.00 C ATOM 1438 O GLN A 103 -2.637 8.905 9.698 1.00 0.00 O ATOM 1439 CB GLN A 103 0.068 10.378 7.995 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.275 11.724 8.614 1.00 0.00 C ATOM 1441 CD GLN A 103 0.766 12.203 9.612 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.494 11.278 10.220 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.929 13.404 9.818 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.461 9.129 7.520 1.00 0.00 O ATOM 0 H GLN A 103 0.007 7.733 7.359 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.196 9.323 9.849 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.151 10.301 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.350 10.335 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.379 12.466 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.242 11.652 9.112 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.350 14.088 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.644 13.716 10.475 1.00 0.00 H new TER 1451 GLN A 103