USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 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 92 GLN : amide:sc= 1.19 K(o=2.3,f=-1.7) USER MOD Set 1.2: A 94 GLN : amide:sc= 1.07 K(o=2.3,f=-0.94) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.523 X(o=-0.53,f=-0.035) USER MOD Set 2.2: A 74 ASN : amide:sc=-0.00842 K(o=-0.53,f=-1.1) USER MOD Set 3.1: A 69 GLN : amide:sc= 0.262 K(o=0.85,f=-5.6!) USER MOD Set 3.2: A 75 HIS : no HD1:sc= 0.585 K(o=0.85,f=-11!) USER MOD Set 4.1: A 29 GLN : amide:sc= 1.07 K(o=4.5,f=-2.3) USER MOD Set 4.2: A 32 SER OG : rot 135:sc= 1.31 USER MOD Set 4.3: A 55 GLN : amide:sc= 2.17 K(o=4.5,f=-0.98) USER MOD Set 5.1: A 16 LYS NZ :NH3+ 163:sc= 0.822 (180deg=-0.673) USER MOD Set 5.2: A 21 TYR OH : rot -177:sc= 2.25 USER MOD Set 5.3: A 23 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.276) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.26 (180deg=1.05) USER MOD Single : A 2 SER OG : rot 180:sc= 0.105 USER MOD Single : A 4 GLN : amide:sc= 0.951 K(o=0.95,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= 1.28 (180deg=-0.349) USER MOD Single : A 9 SER OG : rot 86:sc= 1.26 USER MOD Single : A 10 THR OG1 : rot 52:sc= 0.499 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.258) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.23) USER MOD Single : A 31 SER OG : rot -46:sc= 0.969 USER MOD Single : A 35 HIS : no HD1:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -168:sc= -0.0241 (180deg=-0.22) USER MOD Single : A 41 THR OG1 : rot -52:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot 91:sc= 0.923 USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= 1.89 (180deg=-1.45!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.2) USER MOD Single : A 50 SER OG : rot 110:sc= 1.19 USER MOD Single : A 51 TYR OH : rot -71:sc= -1.25 USER MOD Single : A 52 CYS SG : rot 71:sc= -0.0977 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.23 F(o=-0.86,f=-0.23) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.025 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -68:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 44:sc= 0.408 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.682 22.296 -2.225 1.00 0.00 N ATOM 2 CA MET A 1 85.189 20.903 -2.421 1.00 0.00 C ATOM 3 C MET A 1 86.657 20.887 -2.874 1.00 0.00 C ATOM 4 O MET A 1 86.955 20.992 -4.065 1.00 0.00 O ATOM 5 CB MET A 1 84.320 20.172 -3.449 1.00 0.00 C ATOM 6 CG MET A 1 83.648 18.924 -2.900 1.00 0.00 C ATOM 7 SD MET A 1 84.829 17.621 -2.494 1.00 0.00 S ATOM 8 CE MET A 1 83.970 16.789 -1.162 1.00 0.00 C ATOM 0 H1 MET A 1 83.643 22.297 -2.272 1.00 0.00 H new ATOM 0 H2 MET A 1 84.987 22.649 -1.295 1.00 0.00 H new ATOM 0 H3 MET A 1 85.063 22.912 -2.971 1.00 0.00 H new ATOM 0 HA MET A 1 85.132 20.392 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 1 83.554 20.855 -3.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 84.938 19.896 -4.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 83.079 19.185 -2.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 82.935 18.547 -3.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.575 15.956 -0.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 83.798 17.491 -0.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.014 16.413 -1.525 1.00 0.00 H new ATOM 18 N SER A 2 87.568 20.754 -1.911 1.00 0.00 N ATOM 19 CA SER A 2 89.002 20.726 -2.203 1.00 0.00 C ATOM 20 C SER A 2 89.771 20.016 -1.090 1.00 0.00 C ATOM 21 O SER A 2 89.309 19.950 0.050 1.00 0.00 O ATOM 22 CB SER A 2 89.539 22.152 -2.378 1.00 0.00 C ATOM 23 OG SER A 2 90.959 22.174 -2.376 1.00 0.00 O ATOM 0 H SER A 2 87.339 20.664 -0.921 1.00 0.00 H new ATOM 0 HA SER A 2 89.146 20.174 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 89.168 22.570 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 89.162 22.785 -1.575 1.00 0.00 H new ATOM 0 HG SER A 2 91.272 23.096 -2.491 1.00 0.00 H new ATOM 29 N ASP A 3 90.948 19.491 -1.425 1.00 0.00 N ATOM 30 CA ASP A 3 91.788 18.792 -0.453 1.00 0.00 C ATOM 31 C ASP A 3 92.419 19.773 0.543 1.00 0.00 C ATOM 32 O ASP A 3 92.817 19.387 1.641 1.00 0.00 O ATOM 33 CB ASP A 3 92.881 17.999 -1.175 1.00 0.00 C ATOM 34 CG ASP A 3 92.405 16.631 -1.618 1.00 0.00 C ATOM 35 OD1 ASP A 3 91.725 16.551 -2.664 1.00 0.00 O ATOM 36 OD2 ASP A 3 92.709 15.640 -0.923 1.00 0.00 O ATOM 0 H ASP A 3 91.343 19.536 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 3 91.155 18.103 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 3 93.220 18.562 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.740 17.885 -0.514 1.00 0.00 H new ATOM 41 N GLN A 4 92.499 21.043 0.152 1.00 0.00 N ATOM 42 CA GLN A 4 93.075 22.077 1.010 1.00 0.00 C ATOM 43 C GLN A 4 91.976 22.954 1.622 1.00 0.00 C ATOM 44 O GLN A 4 92.118 24.175 1.718 1.00 0.00 O ATOM 45 CB GLN A 4 94.058 22.939 0.209 1.00 0.00 C ATOM 46 CG GLN A 4 95.216 23.480 1.035 1.00 0.00 C ATOM 47 CD GLN A 4 95.416 24.974 0.852 1.00 0.00 C ATOM 48 OE1 GLN A 4 96.498 25.427 0.485 1.00 0.00 O ATOM 49 NE2 GLN A 4 94.375 25.750 1.105 1.00 0.00 N ATOM 0 H GLN A 4 92.172 21.381 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 4 93.612 21.589 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 4 94.457 22.348 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 4 93.517 23.776 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 4 95.036 23.268 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 4 96.131 22.958 0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 4 93.493 25.337 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 4 94.455 26.761 0.997 1.00 0.00 H new ATOM 58 N GLU A 5 90.880 22.323 2.034 1.00 0.00 N ATOM 59 CA GLU A 5 89.758 23.042 2.635 1.00 0.00 C ATOM 60 C GLU A 5 89.529 22.610 4.084 1.00 0.00 C ATOM 61 O GLU A 5 89.615 23.424 5.006 1.00 0.00 O ATOM 62 CB GLU A 5 88.483 22.817 1.816 1.00 0.00 C ATOM 63 CG GLU A 5 87.998 24.062 1.087 1.00 0.00 C ATOM 64 CD GLU A 5 86.518 24.006 0.759 1.00 0.00 C ATOM 65 OE1 GLU A 5 85.708 24.460 1.593 1.00 0.00 O ATOM 66 OE2 GLU A 5 86.167 23.502 -0.332 1.00 0.00 O ATOM 0 H GLU A 5 90.744 21.315 1.963 1.00 0.00 H new ATOM 0 HA GLU A 5 90.005 24.104 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 5 88.664 22.027 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 5 87.693 22.464 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 5 88.197 24.940 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 5 88.566 24.183 0.165 1.00 0.00 H new ATOM 73 N ALA A 6 89.235 21.327 4.283 1.00 0.00 N ATOM 74 CA ALA A 6 88.993 20.797 5.622 1.00 0.00 C ATOM 75 C ALA A 6 90.223 20.072 6.167 1.00 0.00 C ATOM 76 O ALA A 6 90.690 19.093 5.582 1.00 0.00 O ATOM 77 CB ALA A 6 87.790 19.864 5.611 1.00 0.00 C ATOM 0 H ALA A 6 89.159 20.637 3.536 1.00 0.00 H new ATOM 0 HA ALA A 6 88.783 21.639 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 6 87.621 19.476 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 6 86.908 20.412 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 6 87.979 19.035 4.929 1.00 0.00 H new ATOM 83 N LYS A 7 90.738 20.561 7.296 1.00 0.00 N ATOM 84 CA LYS A 7 91.917 19.967 7.937 1.00 0.00 C ATOM 85 C LYS A 7 91.669 18.514 8.392 1.00 0.00 C ATOM 86 O LYS A 7 92.447 17.625 8.043 1.00 0.00 O ATOM 87 CB LYS A 7 92.387 20.825 9.121 1.00 0.00 C ATOM 88 CG LYS A 7 93.104 22.102 8.707 1.00 0.00 C ATOM 89 CD LYS A 7 92.155 23.291 8.670 1.00 0.00 C ATOM 90 CE LYS A 7 92.189 23.992 7.320 1.00 0.00 C ATOM 91 NZ LYS A 7 90.900 24.673 7.012 1.00 0.00 N ATOM 0 H LYS A 7 90.357 21.369 7.788 1.00 0.00 H new ATOM 0 HA LYS A 7 92.705 19.941 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 7 91.524 21.086 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 7 93.054 20.231 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 7 93.917 22.306 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 7 93.554 21.965 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 7 91.140 22.954 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 7 92.425 23.998 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 7 92.997 24.724 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 7 92.410 23.264 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.091 25.619 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.370 24.113 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.338 24.763 7.882 1.00 0.00 H new ATOM 105 N PRO A 8 90.593 18.234 9.175 1.00 0.00 N ATOM 106 CA PRO A 8 90.297 16.867 9.631 1.00 0.00 C ATOM 107 C PRO A 8 89.663 16.002 8.535 1.00 0.00 C ATOM 108 O PRO A 8 88.571 15.459 8.705 1.00 0.00 O ATOM 109 CB PRO A 8 89.310 17.092 10.777 1.00 0.00 C ATOM 110 CG PRO A 8 88.596 18.345 10.412 1.00 0.00 C ATOM 111 CD PRO A 8 89.602 19.205 9.694 1.00 0.00 C ATOM 0 HA PRO A 8 91.199 16.328 9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 8 88.618 16.255 10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 8 89.826 17.193 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 8 87.738 18.133 9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 8 88.215 18.849 11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 8 89.139 19.773 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 8 90.064 19.927 10.368 1.00 0.00 H new ATOM 119 N SER A 9 90.361 15.871 7.411 1.00 0.00 N ATOM 120 CA SER A 9 89.869 15.080 6.284 1.00 0.00 C ATOM 121 C SER A 9 90.273 13.611 6.416 1.00 0.00 C ATOM 122 O SER A 9 91.223 13.156 5.779 1.00 0.00 O ATOM 123 CB SER A 9 90.401 15.650 4.965 1.00 0.00 C ATOM 124 OG SER A 9 89.690 16.817 4.589 1.00 0.00 O ATOM 0 H SER A 9 91.272 16.303 7.255 1.00 0.00 H new ATOM 0 HA SER A 9 88.780 15.135 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.461 15.883 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 9 90.315 14.899 4.180 1.00 0.00 H new ATOM 0 HG SER A 9 90.096 17.600 5.017 1.00 0.00 H new ATOM 130 N THR A 10 89.541 12.874 7.245 1.00 0.00 N ATOM 131 CA THR A 10 89.821 11.453 7.461 1.00 0.00 C ATOM 132 C THR A 10 89.148 10.582 6.398 1.00 0.00 C ATOM 133 O THR A 10 88.128 9.940 6.657 1.00 0.00 O ATOM 134 CB THR A 10 89.354 10.992 8.856 1.00 0.00 C ATOM 135 OG1 THR A 10 87.957 11.259 9.022 1.00 0.00 O ATOM 136 CG2 THR A 10 90.143 11.693 9.954 1.00 0.00 C ATOM 0 H THR A 10 88.750 13.234 7.779 1.00 0.00 H new ATOM 0 HA THR A 10 90.902 11.335 7.388 1.00 0.00 H new ATOM 0 HB THR A 10 89.529 9.919 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.461 10.888 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 10 89.794 11.350 10.928 1.00 0.00 H new ATOM 0 HG22 THR A 10 91.202 11.461 9.846 1.00 0.00 H new ATOM 0 HG23 THR A 10 89.998 12.770 9.875 1.00 0.00 H new ATOM 144 N GLU A 11 89.721 10.569 5.199 1.00 0.00 N ATOM 145 CA GLU A 11 89.182 9.777 4.097 1.00 0.00 C ATOM 146 C GLU A 11 90.285 9.351 3.129 1.00 0.00 C ATOM 147 O GLU A 11 91.083 10.172 2.678 1.00 0.00 O ATOM 148 CB GLU A 11 88.110 10.575 3.347 1.00 0.00 C ATOM 149 CG GLU A 11 86.999 9.715 2.761 1.00 0.00 C ATOM 150 CD GLU A 11 86.065 9.156 3.819 1.00 0.00 C ATOM 151 OE1 GLU A 11 86.338 8.046 4.326 1.00 0.00 O ATOM 152 OE2 GLU A 11 85.061 9.827 4.141 1.00 0.00 O ATOM 0 H GLU A 11 90.560 11.099 4.964 1.00 0.00 H new ATOM 0 HA GLU A 11 88.733 8.878 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 11 87.671 11.304 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 11 88.585 11.136 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 11 86.423 10.309 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 11 87.441 8.891 2.202 1.00 0.00 H new ATOM 159 N ASP A 12 90.326 8.060 2.812 1.00 0.00 N ATOM 160 CA ASP A 12 91.333 7.526 1.898 1.00 0.00 C ATOM 161 C ASP A 12 90.870 7.624 0.440 1.00 0.00 C ATOM 162 O ASP A 12 90.462 6.629 -0.163 1.00 0.00 O ATOM 163 CB ASP A 12 91.650 6.071 2.257 1.00 0.00 C ATOM 164 CG ASP A 12 93.135 5.834 2.450 1.00 0.00 C ATOM 165 OD1 ASP A 12 93.926 6.308 1.609 1.00 0.00 O ATOM 166 OD2 ASP A 12 93.506 5.173 3.443 1.00 0.00 O ATOM 0 H ASP A 12 89.674 7.364 3.174 1.00 0.00 H new ATOM 0 HA ASP A 12 92.237 8.126 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 12 91.120 5.801 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 12 91.280 5.416 1.468 1.00 0.00 H new ATOM 171 N LEU A 13 90.941 8.827 -0.121 1.00 0.00 N ATOM 172 CA LEU A 13 90.529 9.056 -1.507 1.00 0.00 C ATOM 173 C LEU A 13 91.662 8.733 -2.485 1.00 0.00 C ATOM 174 O LEU A 13 92.253 9.629 -3.091 1.00 0.00 O ATOM 175 CB LEU A 13 90.072 10.508 -1.696 1.00 0.00 C ATOM 176 CG LEU A 13 89.346 11.128 -0.497 1.00 0.00 C ATOM 177 CD1 LEU A 13 89.970 12.465 -0.127 1.00 0.00 C ATOM 178 CD2 LEU A 13 87.864 11.295 -0.796 1.00 0.00 C ATOM 0 H LEU A 13 91.280 9.660 0.360 1.00 0.00 H new ATOM 0 HA LEU A 13 89.695 8.388 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 13 90.945 11.119 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 13 89.412 10.554 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 13 89.450 10.453 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.441 12.890 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 13 91.018 12.318 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.898 13.147 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 13 87.366 11.737 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 87.738 11.947 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 87.424 10.321 -1.010 1.00 0.00 H new ATOM 190 N GLY A 14 91.958 7.446 -2.635 1.00 0.00 N ATOM 191 CA GLY A 14 93.019 7.022 -3.535 1.00 0.00 C ATOM 192 C GLY A 14 92.567 6.928 -4.981 1.00 0.00 C ATOM 193 O GLY A 14 91.921 5.955 -5.371 1.00 0.00 O ATOM 0 H GLY A 14 91.482 6.686 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 14 93.850 7.724 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 14 93.394 6.051 -3.213 1.00 0.00 H new ATOM 197 N ASP A 15 92.911 7.950 -5.772 1.00 0.00 N ATOM 198 CA ASP A 15 92.554 8.008 -7.196 1.00 0.00 C ATOM 199 C ASP A 15 91.034 7.975 -7.405 1.00 0.00 C ATOM 200 O ASP A 15 90.506 7.087 -8.076 1.00 0.00 O ATOM 201 CB ASP A 15 93.226 6.863 -7.968 1.00 0.00 C ATOM 202 CG ASP A 15 93.631 7.268 -9.371 1.00 0.00 C ATOM 203 OD1 ASP A 15 93.425 8.447 -9.733 1.00 0.00 O ATOM 204 OD2 ASP A 15 94.157 6.409 -10.109 1.00 0.00 O ATOM 0 H ASP A 15 93.442 8.757 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 15 92.919 8.958 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 15 94.108 6.529 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 92.543 6.015 -8.021 1.00 0.00 H new ATOM 209 N LYS A 16 90.341 8.960 -6.844 1.00 0.00 N ATOM 210 CA LYS A 16 88.882 9.042 -6.963 1.00 0.00 C ATOM 211 C LYS A 16 88.454 9.812 -8.217 1.00 0.00 C ATOM 212 O LYS A 16 87.261 9.890 -8.523 1.00 0.00 O ATOM 213 CB LYS A 16 88.282 9.701 -5.717 1.00 0.00 C ATOM 214 CG LYS A 16 87.473 8.746 -4.853 1.00 0.00 C ATOM 215 CD LYS A 16 86.512 9.494 -3.943 1.00 0.00 C ATOM 216 CE LYS A 16 85.141 8.835 -3.914 1.00 0.00 C ATOM 217 NZ LYS A 16 84.242 9.376 -4.971 1.00 0.00 N ATOM 0 H LYS A 16 90.762 9.714 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 16 88.505 8.023 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.087 10.126 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.643 10.528 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 86.913 8.062 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 16 88.148 8.139 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 86.920 9.531 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 16 86.414 10.524 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.253 7.759 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 16 84.685 8.989 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 83.442 8.726 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 83.884 10.308 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.771 9.472 -5.861 1.00 0.00 H new ATOM 231 N LYS A 17 89.433 10.375 -8.934 1.00 0.00 N ATOM 232 CA LYS A 17 89.176 11.142 -10.161 1.00 0.00 C ATOM 233 C LYS A 17 88.309 12.381 -9.885 1.00 0.00 C ATOM 234 O LYS A 17 88.366 12.959 -8.799 1.00 0.00 O ATOM 235 CB LYS A 17 88.525 10.246 -11.227 1.00 0.00 C ATOM 236 CG LYS A 17 89.156 10.380 -12.603 1.00 0.00 C ATOM 237 CD LYS A 17 88.902 9.146 -13.457 1.00 0.00 C ATOM 238 CE LYS A 17 89.644 9.223 -14.782 1.00 0.00 C ATOM 239 NZ LYS A 17 88.709 9.242 -15.944 1.00 0.00 N ATOM 0 H LYS A 17 90.420 10.313 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 17 90.135 11.495 -10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 17 88.592 9.207 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 17 87.465 10.491 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 17 88.753 11.260 -13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 17 90.230 10.536 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 17 89.217 8.255 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 17 87.833 9.045 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 17 90.263 10.120 -14.800 1.00 0.00 H new ATOM 0 HE3 LYS A 17 90.317 8.370 -14.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 89.137 9.778 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 88.521 8.267 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 87.815 9.694 -15.663 1.00 0.00 H new ATOM 253 N GLU A 18 87.520 12.799 -10.877 1.00 0.00 N ATOM 254 CA GLU A 18 86.656 13.973 -10.730 1.00 0.00 C ATOM 255 C GLU A 18 85.276 13.594 -10.185 1.00 0.00 C ATOM 256 O GLU A 18 84.754 14.252 -9.284 1.00 0.00 O ATOM 257 CB GLU A 18 86.502 14.699 -12.072 1.00 0.00 C ATOM 258 CG GLU A 18 87.819 14.944 -12.794 1.00 0.00 C ATOM 259 CD GLU A 18 87.813 14.417 -14.217 1.00 0.00 C ATOM 260 OE1 GLU A 18 87.424 13.245 -14.412 1.00 0.00 O ATOM 261 OE2 GLU A 18 88.195 15.173 -15.133 1.00 0.00 O ATOM 0 H GLU A 18 87.461 12.344 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 18 87.133 14.640 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 18 85.848 14.113 -12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 18 86.008 15.656 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 18 88.028 16.014 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 18 88.627 14.469 -12.238 1.00 0.00 H new ATOM 268 N GLY A 19 84.686 12.537 -10.737 1.00 0.00 N ATOM 269 CA GLY A 19 83.371 12.101 -10.291 1.00 0.00 C ATOM 270 C GLY A 19 82.395 11.893 -11.437 1.00 0.00 C ATOM 271 O GLY A 19 81.299 12.448 -11.440 1.00 0.00 O ATOM 0 H GLY A 19 85.093 11.974 -11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.473 11.170 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 19 82.963 12.841 -9.603 1.00 0.00 H new ATOM 275 N GLU A 20 82.798 11.082 -12.412 1.00 0.00 N ATOM 276 CA GLU A 20 81.960 10.791 -13.577 1.00 0.00 C ATOM 277 C GLU A 20 81.274 9.423 -13.443 1.00 0.00 C ATOM 278 O GLU A 20 80.839 8.831 -14.431 1.00 0.00 O ATOM 279 CB GLU A 20 82.803 10.846 -14.861 1.00 0.00 C ATOM 280 CG GLU A 20 83.806 9.704 -15.008 1.00 0.00 C ATOM 281 CD GLU A 20 85.199 10.071 -14.526 1.00 0.00 C ATOM 282 OE1 GLU A 20 85.333 10.479 -13.349 1.00 0.00 O ATOM 283 OE2 GLU A 20 86.156 9.944 -15.321 1.00 0.00 O ATOM 0 H GLU A 20 83.703 10.612 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 20 81.180 11.550 -13.632 1.00 0.00 H new ATOM 0 HB2 GLU A 20 82.133 10.838 -15.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 83.343 11.793 -14.886 1.00 0.00 H new ATOM 0 HG2 GLU A 20 83.449 8.840 -14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 83.857 9.405 -16.055 1.00 0.00 H new ATOM 290 N TYR A 21 81.168 8.943 -12.210 1.00 0.00 N ATOM 291 CA TYR A 21 80.552 7.648 -11.931 1.00 0.00 C ATOM 292 C TYR A 21 79.432 7.786 -10.896 1.00 0.00 C ATOM 293 O TYR A 21 79.461 8.688 -10.057 1.00 0.00 O ATOM 294 CB TYR A 21 81.620 6.661 -11.429 1.00 0.00 C ATOM 295 CG TYR A 21 82.553 7.244 -10.385 1.00 0.00 C ATOM 296 CD1 TYR A 21 82.148 7.378 -9.063 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.835 7.661 -10.723 1.00 0.00 C ATOM 298 CE1 TYR A 21 82.990 7.911 -8.107 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.684 8.195 -9.772 1.00 0.00 C ATOM 300 CZ TYR A 21 84.255 8.318 -8.466 1.00 0.00 C ATOM 301 OH TYR A 21 85.096 8.850 -7.515 1.00 0.00 O ATOM 0 H TYR A 21 81.503 9.434 -11.381 1.00 0.00 H new ATOM 0 HA TYR A 21 80.115 7.267 -12.854 1.00 0.00 H new ATOM 0 HB2 TYR A 21 81.124 5.786 -11.010 1.00 0.00 H new ATOM 0 HB3 TYR A 21 82.210 6.317 -12.278 1.00 0.00 H new ATOM 0 HD1 TYR A 21 81.156 7.059 -8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 21 84.173 7.566 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 21 82.658 8.008 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.678 8.514 -10.049 1.00 0.00 H new ATOM 0 HH TYR A 21 85.931 9.137 -7.940 1.00 0.00 H new ATOM 311 N ILE A 22 78.443 6.898 -10.959 1.00 0.00 N ATOM 312 CA ILE A 22 77.335 6.932 -10.006 1.00 0.00 C ATOM 313 C ILE A 22 77.504 5.849 -8.942 1.00 0.00 C ATOM 314 O ILE A 22 77.791 4.693 -9.256 1.00 0.00 O ATOM 315 CB ILE A 22 75.954 6.751 -10.683 1.00 0.00 C ATOM 316 CG1 ILE A 22 76.072 6.749 -12.209 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.000 7.848 -10.230 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.469 5.521 -12.855 1.00 0.00 C ATOM 0 H ILE A 22 78.385 6.152 -11.653 1.00 0.00 H new ATOM 0 HA ILE A 22 77.362 7.921 -9.549 1.00 0.00 H new ATOM 0 HB ILE A 22 75.557 5.782 -10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.581 7.638 -12.605 1.00 0.00 H new ATOM 0 HG13 ILE A 22 77.124 6.816 -12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.032 7.711 -10.712 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.876 7.799 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.408 8.821 -10.505 1.00 0.00 H new ATOM 0 HD11 ILE A 22 75.587 5.584 -13.937 1.00 0.00 H new ATOM 0 HD12 ILE A 22 75.976 4.630 -12.486 1.00 0.00 H new ATOM 0 HD13 ILE A 22 74.409 5.464 -12.608 1.00 0.00 H new ATOM 330 N LYS A 23 77.334 6.234 -7.680 1.00 0.00 N ATOM 331 CA LYS A 23 77.463 5.293 -6.569 1.00 0.00 C ATOM 332 C LYS A 23 76.126 4.611 -6.280 1.00 0.00 C ATOM 333 O LYS A 23 75.207 5.222 -5.731 1.00 0.00 O ATOM 334 CB LYS A 23 77.971 6.012 -5.312 1.00 0.00 C ATOM 335 CG LYS A 23 79.070 7.033 -5.582 1.00 0.00 C ATOM 336 CD LYS A 23 79.694 7.533 -4.288 1.00 0.00 C ATOM 337 CE LYS A 23 81.117 8.024 -4.509 1.00 0.00 C ATOM 338 NZ LYS A 23 81.728 8.535 -3.250 1.00 0.00 N ATOM 0 H LYS A 23 77.107 7.188 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 23 78.187 4.530 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 23 77.133 6.515 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 23 78.345 5.269 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.840 6.584 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.658 7.875 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 79.088 8.342 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 23 79.695 6.731 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 23 81.725 7.210 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 23 81.116 8.814 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 82.214 9.435 -3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 80.984 8.687 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 82.413 7.841 -2.890 1.00 0.00 H new ATOM 352 N LEU A 24 76.029 3.339 -6.649 1.00 0.00 N ATOM 353 CA LEU A 24 74.803 2.569 -6.447 1.00 0.00 C ATOM 354 C LEU A 24 74.911 1.647 -5.234 1.00 0.00 C ATOM 355 O LEU A 24 75.997 1.436 -4.690 1.00 0.00 O ATOM 356 CB LEU A 24 74.486 1.747 -7.700 1.00 0.00 C ATOM 357 CG LEU A 24 75.386 0.528 -7.925 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.549 -0.718 -8.155 1.00 0.00 C ATOM 359 CD2 LEU A 24 76.323 0.767 -9.099 1.00 0.00 C ATOM 0 H LEU A 24 76.785 2.816 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 24 73.994 3.275 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 24 73.451 1.409 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.559 2.399 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 24 75.989 0.375 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.206 -1.573 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 73.920 -0.900 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 73.920 -0.577 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.955 -0.109 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 24 75.738 0.946 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.949 1.636 -8.894 1.00 0.00 H new ATOM 371 N LYS A 25 73.776 1.097 -4.814 1.00 0.00 N ATOM 372 CA LYS A 25 73.739 0.195 -3.667 1.00 0.00 C ATOM 373 C LYS A 25 73.245 -1.194 -4.067 1.00 0.00 C ATOM 374 O LYS A 25 72.213 -1.338 -4.718 1.00 0.00 O ATOM 375 CB LYS A 25 72.850 0.773 -2.563 1.00 0.00 C ATOM 376 CG LYS A 25 73.185 0.246 -1.175 1.00 0.00 C ATOM 377 CD LYS A 25 72.335 0.908 -0.101 1.00 0.00 C ATOM 378 CE LYS A 25 70.916 0.359 -0.081 1.00 0.00 C ATOM 379 NZ LYS A 25 70.174 0.777 1.141 1.00 0.00 N ATOM 0 H LYS A 25 72.869 1.260 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 25 74.756 0.095 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.944 1.859 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.809 0.543 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.030 -0.833 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.240 0.422 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 25 72.797 0.754 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 25 72.305 1.984 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 70.381 0.704 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 25 70.947 -0.729 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 69.151 0.718 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 70.425 0.149 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 70.428 1.756 1.383 1.00 0.00 H new ATOM 393 N VAL A 26 74.004 -2.213 -3.682 1.00 0.00 N ATOM 394 CA VAL A 26 73.650 -3.599 -3.982 1.00 0.00 C ATOM 395 C VAL A 26 73.333 -4.361 -2.693 1.00 0.00 C ATOM 396 O VAL A 26 74.067 -4.260 -1.705 1.00 0.00 O ATOM 397 CB VAL A 26 74.793 -4.316 -4.745 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.619 -5.830 -4.722 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.870 -3.820 -6.181 1.00 0.00 C ATOM 0 H VAL A 26 74.873 -2.107 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 26 72.765 -3.585 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 26 75.727 -4.077 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.439 -6.299 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.621 -6.181 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.672 -6.095 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.678 -4.335 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.926 -4.023 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.061 -2.747 -6.186 1.00 0.00 H new ATOM 409 N ILE A 27 72.236 -5.115 -2.702 1.00 0.00 N ATOM 410 CA ILE A 27 71.839 -5.894 -1.529 1.00 0.00 C ATOM 411 C ILE A 27 72.362 -7.326 -1.639 1.00 0.00 C ATOM 412 O ILE A 27 71.880 -8.112 -2.455 1.00 0.00 O ATOM 413 CB ILE A 27 70.300 -5.934 -1.343 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.702 -4.522 -1.280 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.939 -6.706 -0.080 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.518 -4.333 -2.204 1.00 0.00 C ATOM 0 H ILE A 27 71.609 -5.204 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 27 72.275 -5.399 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 27 69.877 -6.442 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.393 -4.311 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.474 -3.796 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.856 -6.726 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.314 -7.726 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.389 -6.219 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.143 -3.314 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.828 -4.513 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.730 -5.036 -1.934 1.00 0.00 H new ATOM 428 N GLY A 28 73.356 -7.652 -0.815 1.00 0.00 N ATOM 429 CA GLY A 28 73.936 -8.985 -0.831 1.00 0.00 C ATOM 430 C GLY A 28 72.990 -10.058 -0.313 1.00 0.00 C ATOM 431 O GLY A 28 72.003 -9.757 0.362 1.00 0.00 O ATOM 0 H GLY A 28 73.771 -7.015 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 28 74.232 -9.233 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.843 -8.987 -0.226 1.00 0.00 H new ATOM 435 N GLN A 29 73.313 -11.316 -0.608 1.00 0.00 N ATOM 436 CA GLN A 29 72.483 -12.451 -0.185 1.00 0.00 C ATOM 437 C GLN A 29 72.428 -12.605 1.342 1.00 0.00 C ATOM 438 O GLN A 29 71.567 -13.309 1.872 1.00 0.00 O ATOM 439 CB GLN A 29 72.974 -13.764 -0.824 1.00 0.00 C ATOM 440 CG GLN A 29 74.487 -13.866 -1.015 1.00 0.00 C ATOM 441 CD GLN A 29 75.251 -13.971 0.292 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.868 -13.008 0.739 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.212 -15.138 0.910 1.00 0.00 N ATOM 0 H GLN A 29 74.144 -11.579 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 29 71.472 -12.237 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.645 -14.597 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.492 -13.880 -1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 29 74.711 -14.738 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 29 74.837 -12.991 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 29 74.687 -15.913 0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 29 75.707 -15.264 1.793 1.00 0.00 H new ATOM 452 N ASP A 30 73.351 -11.953 2.045 1.00 0.00 N ATOM 453 CA ASP A 30 73.392 -12.011 3.504 1.00 0.00 C ATOM 454 C ASP A 30 72.946 -10.679 4.118 1.00 0.00 C ATOM 455 O ASP A 30 73.345 -10.339 5.233 1.00 0.00 O ATOM 456 CB ASP A 30 74.805 -12.361 3.978 1.00 0.00 C ATOM 457 CG ASP A 30 74.893 -13.759 4.555 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.166 -14.705 3.783 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.689 -13.912 5.777 1.00 0.00 O ATOM 0 H ASP A 30 74.082 -11.377 1.627 1.00 0.00 H new ATOM 0 HA ASP A 30 72.702 -12.788 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.498 -12.272 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.121 -11.640 4.732 1.00 0.00 H new ATOM 464 N SER A 31 72.121 -9.933 3.371 1.00 0.00 N ATOM 465 CA SER A 31 71.606 -8.629 3.813 1.00 0.00 C ATOM 466 C SER A 31 72.730 -7.594 3.943 1.00 0.00 C ATOM 467 O SER A 31 72.642 -6.652 4.736 1.00 0.00 O ATOM 468 CB SER A 31 70.843 -8.760 5.140 1.00 0.00 C ATOM 469 OG SER A 31 70.275 -7.521 5.529 1.00 0.00 O ATOM 0 H SER A 31 71.793 -10.214 2.447 1.00 0.00 H new ATOM 0 HA SER A 31 70.913 -8.278 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.056 -9.508 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.520 -9.113 5.918 1.00 0.00 H new ATOM 0 HG SER A 31 70.940 -6.809 5.424 1.00 0.00 H new ATOM 475 N SER A 32 73.780 -7.770 3.148 1.00 0.00 N ATOM 476 CA SER A 32 74.925 -6.861 3.167 1.00 0.00 C ATOM 477 C SER A 32 74.749 -5.728 2.159 1.00 0.00 C ATOM 478 O SER A 32 74.625 -5.964 0.960 1.00 0.00 O ATOM 479 CB SER A 32 76.212 -7.632 2.856 1.00 0.00 C ATOM 480 OG SER A 32 75.937 -8.803 2.100 1.00 0.00 O ATOM 0 H SER A 32 73.864 -8.536 2.480 1.00 0.00 H new ATOM 0 HA SER A 32 74.991 -6.425 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.899 -6.991 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.710 -7.905 3.786 1.00 0.00 H new ATOM 0 HG SER A 32 76.581 -8.877 1.365 1.00 0.00 H new ATOM 486 N GLU A 33 74.735 -4.493 2.655 1.00 0.00 N ATOM 487 CA GLU A 33 74.581 -3.325 1.791 1.00 0.00 C ATOM 488 C GLU A 33 75.948 -2.778 1.372 1.00 0.00 C ATOM 489 O GLU A 33 76.674 -2.207 2.186 1.00 0.00 O ATOM 490 CB GLU A 33 73.779 -2.233 2.506 1.00 0.00 C ATOM 491 CG GLU A 33 72.371 -2.661 2.891 1.00 0.00 C ATOM 492 CD GLU A 33 71.672 -1.644 3.773 1.00 0.00 C ATOM 493 OE1 GLU A 33 71.000 -0.741 3.225 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.794 -1.749 5.012 1.00 0.00 O ATOM 0 H GLU A 33 74.828 -4.275 3.647 1.00 0.00 H new ATOM 0 HA GLU A 33 74.040 -3.634 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.316 -1.930 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.719 -1.357 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.783 -2.817 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.416 -3.618 3.411 1.00 0.00 H new ATOM 501 N ILE A 34 76.291 -2.953 0.100 1.00 0.00 N ATOM 502 CA ILE A 34 77.576 -2.476 -0.415 1.00 0.00 C ATOM 503 C ILE A 34 77.390 -1.399 -1.486 1.00 0.00 C ATOM 504 O ILE A 34 76.474 -1.477 -2.309 1.00 0.00 O ATOM 505 CB ILE A 34 78.426 -3.630 -1.003 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.066 -4.966 -0.341 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.908 -3.333 -0.825 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.640 -6.174 -1.053 1.00 0.00 C ATOM 0 H ILE A 34 75.703 -3.418 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 34 78.103 -2.047 0.437 1.00 0.00 H new ATOM 0 HB ILE A 34 78.208 -3.709 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.423 -4.959 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 34 76.981 -5.061 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.496 -4.151 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.158 -2.406 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.133 -3.229 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.343 -7.081 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.263 -6.207 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 34 79.728 -6.104 -1.070 1.00 0.00 H new ATOM 520 N HIS A 35 78.264 -0.395 -1.466 1.00 0.00 N ATOM 521 CA HIS A 35 78.205 0.700 -2.433 1.00 0.00 C ATOM 522 C HIS A 35 79.253 0.522 -3.529 1.00 0.00 C ATOM 523 O HIS A 35 80.437 0.342 -3.246 1.00 0.00 O ATOM 524 CB HIS A 35 78.401 2.044 -1.730 1.00 0.00 C ATOM 525 CG HIS A 35 77.170 2.900 -1.730 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.981 3.949 -2.606 1.00 0.00 N ATOM 527 CD2 HIS A 35 76.057 2.854 -0.961 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.809 4.510 -2.376 1.00 0.00 C ATOM 529 NE2 HIS A 35 75.228 3.865 -1.382 1.00 0.00 N ATOM 0 H HIS A 35 79.023 -0.317 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 35 77.219 0.685 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.711 1.865 -0.700 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.212 2.586 -2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.858 2.153 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 35 75.396 5.353 -2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 35 74.312 4.082 -0.990 1.00 0.00 H new ATOM 537 N PHE A 36 78.809 0.581 -4.782 1.00 0.00 N ATOM 538 CA PHE A 36 79.711 0.418 -5.922 1.00 0.00 C ATOM 539 C PHE A 36 79.613 1.601 -6.885 1.00 0.00 C ATOM 540 O PHE A 36 78.556 2.217 -7.025 1.00 0.00 O ATOM 541 CB PHE A 36 79.397 -0.885 -6.662 1.00 0.00 C ATOM 542 CG PHE A 36 79.703 -2.117 -5.858 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.682 -2.939 -5.410 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.011 -2.446 -5.543 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.961 -4.069 -4.665 1.00 0.00 C ATOM 546 CE2 PHE A 36 81.296 -3.574 -4.798 1.00 0.00 C ATOM 547 CZ PHE A 36 80.269 -4.385 -4.357 1.00 0.00 C ATOM 0 H PHE A 36 77.834 0.740 -5.035 1.00 0.00 H new ATOM 0 HA PHE A 36 80.730 0.379 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.342 -0.893 -6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 36 79.969 -0.914 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.657 -2.694 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.817 -1.813 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 36 78.157 -4.704 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.320 -3.821 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 36 80.489 -5.266 -3.772 1.00 0.00 H new ATOM 557 N LYS A 37 80.722 1.909 -7.548 1.00 0.00 N ATOM 558 CA LYS A 37 80.768 3.019 -8.499 1.00 0.00 C ATOM 559 C LYS A 37 80.833 2.506 -9.938 1.00 0.00 C ATOM 560 O LYS A 37 81.706 1.711 -10.283 1.00 0.00 O ATOM 561 CB LYS A 37 81.979 3.911 -8.209 1.00 0.00 C ATOM 562 CG LYS A 37 82.009 4.457 -6.788 1.00 0.00 C ATOM 563 CD LYS A 37 83.415 4.443 -6.213 1.00 0.00 C ATOM 564 CE LYS A 37 83.682 3.171 -5.419 1.00 0.00 C ATOM 565 NZ LYS A 37 85.072 3.126 -4.890 1.00 0.00 N ATOM 0 H LYS A 37 81.604 1.406 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 37 79.855 3.603 -8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.891 3.341 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.981 4.746 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 37 81.623 5.476 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 37 81.351 3.862 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 37 84.141 4.527 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 37 83.554 5.311 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 37 82.977 3.106 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 37 83.508 2.303 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.212 2.245 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 85.746 3.162 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 85.231 3.940 -4.262 1.00 0.00 H new ATOM 579 N VAL A 38 79.907 2.968 -10.773 1.00 0.00 N ATOM 580 CA VAL A 38 79.859 2.550 -12.174 1.00 0.00 C ATOM 581 C VAL A 38 79.200 3.621 -13.055 1.00 0.00 C ATOM 582 O VAL A 38 78.613 4.577 -12.548 1.00 0.00 O ATOM 583 CB VAL A 38 79.108 1.195 -12.312 1.00 0.00 C ATOM 584 CG1 VAL A 38 77.611 1.399 -12.502 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.689 0.362 -13.448 1.00 0.00 C ATOM 0 H VAL A 38 79.180 3.631 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 38 80.885 2.419 -12.518 1.00 0.00 H new ATOM 0 HB VAL A 38 79.250 0.648 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.121 0.430 -12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 38 77.204 1.931 -11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.435 1.982 -13.406 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.146 -0.580 -13.523 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.596 0.910 -14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.741 0.159 -13.249 1.00 0.00 H new ATOM 595 N LYS A 39 79.320 3.473 -14.376 1.00 0.00 N ATOM 596 CA LYS A 39 78.720 4.422 -15.312 1.00 0.00 C ATOM 597 C LYS A 39 77.370 3.901 -15.820 1.00 0.00 C ATOM 598 O LYS A 39 77.090 2.702 -15.751 1.00 0.00 O ATOM 599 CB LYS A 39 79.662 4.683 -16.491 1.00 0.00 C ATOM 600 CG LYS A 39 80.663 5.798 -16.232 1.00 0.00 C ATOM 601 CD LYS A 39 82.033 5.463 -16.805 1.00 0.00 C ATOM 602 CE LYS A 39 82.927 4.807 -15.763 1.00 0.00 C ATOM 603 NZ LYS A 39 83.964 3.941 -16.391 1.00 0.00 N ATOM 0 H LYS A 39 79.826 2.707 -14.820 1.00 0.00 H new ATOM 0 HA LYS A 39 78.553 5.361 -14.784 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.204 3.766 -16.723 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.069 4.935 -17.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 80.299 6.725 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.748 5.970 -15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.918 4.796 -17.659 1.00 0.00 H new ATOM 0 HD3 LYS A 39 82.508 6.373 -17.172 1.00 0.00 H new ATOM 0 HE2 LYS A 39 83.411 5.577 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.317 4.210 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.553 3.512 -15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.502 3.191 -16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 84.562 4.515 -17.019 1.00 0.00 H new ATOM 617 N MET A 40 76.553 4.806 -16.356 1.00 0.00 N ATOM 618 CA MET A 40 75.219 4.450 -16.857 1.00 0.00 C ATOM 619 C MET A 40 75.258 3.579 -18.126 1.00 0.00 C ATOM 620 O MET A 40 74.289 2.886 -18.432 1.00 0.00 O ATOM 621 CB MET A 40 74.416 5.724 -17.141 1.00 0.00 C ATOM 622 CG MET A 40 73.606 6.217 -15.951 1.00 0.00 C ATOM 623 SD MET A 40 72.467 4.969 -15.305 1.00 0.00 S ATOM 624 CE MET A 40 71.385 4.683 -16.706 1.00 0.00 C ATOM 0 H MET A 40 76.788 5.793 -16.456 1.00 0.00 H new ATOM 0 HA MET A 40 74.741 3.857 -16.077 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.101 6.512 -17.454 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.741 5.538 -17.976 1.00 0.00 H new ATOM 0 HG2 MET A 40 74.287 6.525 -15.158 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.039 7.100 -16.245 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.519 4.105 -16.385 1.00 0.00 H new ATOM 0 HE2 MET A 40 71.053 5.639 -17.111 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.924 4.131 -17.476 1.00 0.00 H new ATOM 634 N THR A 41 76.373 3.611 -18.863 1.00 0.00 N ATOM 635 CA THR A 41 76.489 2.832 -20.102 1.00 0.00 C ATOM 636 C THR A 41 77.435 1.628 -19.960 1.00 0.00 C ATOM 637 O THR A 41 77.964 1.120 -20.953 1.00 0.00 O ATOM 638 CB THR A 41 76.978 3.725 -21.265 1.00 0.00 C ATOM 639 OG1 THR A 41 77.034 2.974 -22.482 1.00 0.00 O ATOM 640 CG2 THR A 41 78.353 4.311 -20.961 1.00 0.00 C ATOM 0 H THR A 41 77.199 4.161 -18.628 1.00 0.00 H new ATOM 0 HA THR A 41 75.491 2.451 -20.317 1.00 0.00 H new ATOM 0 HB THR A 41 76.267 4.543 -21.380 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.558 2.159 -22.339 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.675 4.935 -21.795 1.00 0.00 H new ATOM 0 HG22 THR A 41 78.299 4.915 -20.055 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.069 3.502 -20.816 1.00 0.00 H new ATOM 648 N THR A 42 77.635 1.159 -18.734 1.00 0.00 N ATOM 649 CA THR A 42 78.526 0.020 -18.493 1.00 0.00 C ATOM 650 C THR A 42 77.770 -1.307 -18.479 1.00 0.00 C ATOM 651 O THR A 42 76.571 -1.352 -18.206 1.00 0.00 O ATOM 652 CB THR A 42 79.287 0.166 -17.160 1.00 0.00 C ATOM 653 OG1 THR A 42 79.279 1.529 -16.728 1.00 0.00 O ATOM 654 CG2 THR A 42 80.726 -0.314 -17.298 1.00 0.00 C ATOM 0 H THR A 42 77.199 1.542 -17.895 1.00 0.00 H new ATOM 0 HA THR A 42 79.236 0.017 -19.320 1.00 0.00 H new ATOM 0 HB THR A 42 78.781 -0.451 -16.418 1.00 0.00 H new ATOM 0 HG1 THR A 42 78.500 1.686 -16.155 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.241 -0.200 -16.344 1.00 0.00 H new ATOM 0 HG22 THR A 42 80.733 -1.364 -17.591 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.236 0.278 -18.058 1.00 0.00 H new ATOM 662 N HIS A 43 78.486 -2.391 -18.777 1.00 0.00 N ATOM 663 CA HIS A 43 77.900 -3.731 -18.790 1.00 0.00 C ATOM 664 C HIS A 43 77.691 -4.241 -17.362 1.00 0.00 C ATOM 665 O HIS A 43 78.443 -3.887 -16.456 1.00 0.00 O ATOM 666 CB HIS A 43 78.807 -4.696 -19.558 1.00 0.00 C ATOM 667 CG HIS A 43 78.639 -4.632 -21.047 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.674 -4.847 -21.931 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.547 -4.381 -21.810 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.232 -4.732 -23.168 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.942 -4.451 -23.123 1.00 0.00 N ATOM 0 H HIS A 43 79.478 -2.367 -19.014 1.00 0.00 H new ATOM 0 HA HIS A 43 76.932 -3.677 -19.288 1.00 0.00 H new ATOM 0 HB2 HIS A 43 79.846 -4.478 -19.310 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.605 -5.713 -19.223 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.551 -4.166 -21.452 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.823 -4.848 -24.064 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.338 -4.309 -23.932 1.00 0.00 H new ATOM 679 N LEU A 44 76.683 -5.094 -17.166 1.00 0.00 N ATOM 680 CA LEU A 44 76.386 -5.619 -15.829 1.00 0.00 C ATOM 681 C LEU A 44 77.469 -6.578 -15.309 1.00 0.00 C ATOM 682 O LEU A 44 77.527 -6.848 -14.109 1.00 0.00 O ATOM 683 CB LEU A 44 75.022 -6.310 -15.814 1.00 0.00 C ATOM 684 CG LEU A 44 73.919 -5.564 -15.049 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.294 -5.410 -13.582 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.652 -4.203 -15.674 1.00 0.00 C ATOM 0 H LEU A 44 76.066 -5.433 -17.904 1.00 0.00 H new ATOM 0 HA LEU A 44 76.368 -4.762 -15.156 1.00 0.00 H new ATOM 0 HB2 LEU A 44 74.694 -6.454 -16.844 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.139 -7.301 -15.375 1.00 0.00 H new ATOM 0 HG LEU A 44 73.005 -6.155 -15.113 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.500 -4.879 -13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 44 74.428 -6.395 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.223 -4.845 -13.501 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.867 -3.694 -15.115 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.563 -3.605 -15.647 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.334 -4.334 -16.708 1.00 0.00 H new ATOM 698 N LYS A 45 78.336 -7.080 -16.194 1.00 0.00 N ATOM 699 CA LYS A 45 79.404 -7.992 -15.784 1.00 0.00 C ATOM 700 C LYS A 45 80.411 -7.287 -14.869 1.00 0.00 C ATOM 701 O LYS A 45 81.035 -7.919 -14.014 1.00 0.00 O ATOM 702 CB LYS A 45 80.103 -8.586 -17.015 1.00 0.00 C ATOM 703 CG LYS A 45 81.251 -7.749 -17.566 1.00 0.00 C ATOM 704 CD LYS A 45 82.565 -8.518 -17.543 1.00 0.00 C ATOM 705 CE LYS A 45 82.534 -9.715 -18.485 1.00 0.00 C ATOM 706 NZ LYS A 45 82.228 -10.986 -17.766 1.00 0.00 N ATOM 0 H LYS A 45 78.318 -6.871 -17.192 1.00 0.00 H new ATOM 0 HA LYS A 45 78.956 -8.808 -15.216 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.484 -9.574 -16.757 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.363 -8.725 -17.803 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.024 -7.446 -18.588 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.352 -6.837 -16.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 83.381 -7.853 -17.826 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.769 -8.859 -16.528 1.00 0.00 H new ATOM 0 HE2 LYS A 45 81.785 -9.547 -19.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.497 -9.806 -18.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 82.909 -11.719 -18.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 82.297 -10.830 -16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 81.265 -11.297 -18.005 1.00 0.00 H new ATOM 720 N LYS A 46 80.550 -5.971 -15.043 1.00 0.00 N ATOM 721 CA LYS A 46 81.464 -5.179 -14.224 1.00 0.00 C ATOM 722 C LYS A 46 80.901 -5.006 -12.815 1.00 0.00 C ATOM 723 O LYS A 46 81.647 -4.888 -11.844 1.00 0.00 O ATOM 724 CB LYS A 46 81.704 -3.809 -14.865 1.00 0.00 C ATOM 725 CG LYS A 46 82.375 -3.878 -16.228 1.00 0.00 C ATOM 726 CD LYS A 46 83.874 -4.104 -16.103 1.00 0.00 C ATOM 727 CE LYS A 46 84.437 -4.806 -17.328 1.00 0.00 C ATOM 728 NZ LYS A 46 85.759 -5.434 -17.050 1.00 0.00 N ATOM 0 H LYS A 46 80.040 -5.433 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 46 82.415 -5.708 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 46 80.749 -3.293 -14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.321 -3.209 -14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 46 81.932 -4.685 -16.812 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.190 -2.952 -16.773 1.00 0.00 H new ATOM 0 HD2 LYS A 46 84.377 -3.147 -15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.080 -4.700 -15.214 1.00 0.00 H new ATOM 0 HE2 LYS A 46 83.735 -5.570 -17.663 1.00 0.00 H new ATOM 0 HE3 LYS A 46 84.540 -4.089 -18.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 86.109 -5.902 -17.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.436 -4.702 -16.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.657 -6.137 -16.291 1.00 0.00 H new ATOM 742 N LEU A 47 79.574 -4.998 -12.719 1.00 0.00 N ATOM 743 CA LEU A 47 78.889 -4.856 -11.437 1.00 0.00 C ATOM 744 C LEU A 47 78.777 -6.209 -10.728 1.00 0.00 C ATOM 745 O LEU A 47 79.052 -6.320 -9.533 1.00 0.00 O ATOM 746 CB LEU A 47 77.492 -4.269 -11.655 1.00 0.00 C ATOM 747 CG LEU A 47 77.193 -2.991 -10.873 1.00 0.00 C ATOM 748 CD1 LEU A 47 76.034 -2.239 -11.507 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.887 -3.321 -9.420 1.00 0.00 C ATOM 0 H LEU A 47 78.948 -5.089 -13.519 1.00 0.00 H new ATOM 0 HA LEU A 47 79.472 -4.183 -10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.364 -4.064 -12.718 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.753 -5.023 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 47 78.074 -2.350 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 47 75.834 -1.331 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 47 76.290 -1.975 -12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 47 75.146 -2.871 -11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.676 -2.401 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.019 -3.979 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.746 -3.820 -8.971 1.00 0.00 H new ATOM 761 N LYS A 48 78.378 -7.232 -11.486 1.00 0.00 N ATOM 762 CA LYS A 48 78.225 -8.590 -10.958 1.00 0.00 C ATOM 763 C LYS A 48 79.537 -9.112 -10.362 1.00 0.00 C ATOM 764 O LYS A 48 79.565 -9.606 -9.237 1.00 0.00 O ATOM 765 CB LYS A 48 77.749 -9.528 -12.071 1.00 0.00 C ATOM 766 CG LYS A 48 76.897 -10.687 -11.581 1.00 0.00 C ATOM 767 CD LYS A 48 76.448 -11.575 -12.730 1.00 0.00 C ATOM 768 CE LYS A 48 75.541 -12.695 -12.248 1.00 0.00 C ATOM 769 NZ LYS A 48 74.973 -13.479 -13.381 1.00 0.00 N ATOM 0 H LYS A 48 78.153 -7.144 -12.477 1.00 0.00 H new ATOM 0 HA LYS A 48 77.483 -8.560 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.177 -8.952 -12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.619 -9.926 -12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.465 -11.279 -10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.023 -10.301 -11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.922 -10.974 -13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.321 -12.000 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.103 -13.360 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.729 -12.274 -11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.762 -14.446 -13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.098 -13.025 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.662 -13.514 -14.159 1.00 0.00 H new ATOM 783 N GLU A 49 80.626 -8.981 -11.121 1.00 0.00 N ATOM 784 CA GLU A 49 81.941 -9.441 -10.669 1.00 0.00 C ATOM 785 C GLU A 49 82.473 -8.597 -9.505 1.00 0.00 C ATOM 786 O GLU A 49 83.250 -9.083 -8.685 1.00 0.00 O ATOM 787 CB GLU A 49 82.940 -9.410 -11.829 1.00 0.00 C ATOM 788 CG GLU A 49 82.880 -10.640 -12.720 1.00 0.00 C ATOM 789 CD GLU A 49 83.435 -10.385 -14.111 1.00 0.00 C ATOM 790 OE1 GLU A 49 84.487 -9.719 -14.219 1.00 0.00 O ATOM 791 OE2 GLU A 49 82.819 -10.857 -15.094 1.00 0.00 O ATOM 0 H GLU A 49 80.624 -8.561 -12.050 1.00 0.00 H new ATOM 0 HA GLU A 49 81.823 -10.465 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.752 -8.524 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.948 -9.313 -11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.441 -11.450 -12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.846 -10.974 -12.802 1.00 0.00 H new ATOM 798 N SER A 50 82.034 -7.341 -9.428 1.00 0.00 N ATOM 799 CA SER A 50 82.481 -6.436 -8.366 1.00 0.00 C ATOM 800 C SER A 50 81.873 -6.829 -7.022 1.00 0.00 C ATOM 801 O SER A 50 82.563 -6.869 -6.003 1.00 0.00 O ATOM 802 CB SER A 50 82.102 -4.989 -8.690 1.00 0.00 C ATOM 803 OG SER A 50 82.982 -4.434 -9.652 1.00 0.00 O ATOM 0 H SER A 50 81.372 -6.927 -10.085 1.00 0.00 H new ATOM 0 HA SER A 50 83.566 -6.516 -8.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.079 -4.953 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.129 -4.390 -7.780 1.00 0.00 H new ATOM 0 HG SER A 50 82.508 -4.320 -10.502 1.00 0.00 H new ATOM 809 N TYR A 51 80.576 -7.117 -7.039 1.00 0.00 N ATOM 810 CA TYR A 51 79.853 -7.520 -5.828 1.00 0.00 C ATOM 811 C TYR A 51 80.416 -8.818 -5.222 1.00 0.00 C ATOM 812 O TYR A 51 80.604 -8.912 -4.008 1.00 0.00 O ATOM 813 CB TYR A 51 78.346 -7.669 -6.126 1.00 0.00 C ATOM 814 CG TYR A 51 77.643 -8.705 -5.277 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.343 -8.456 -3.946 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.286 -9.932 -5.814 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.706 -9.407 -3.171 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.647 -10.887 -5.048 1.00 0.00 C ATOM 819 CZ TYR A 51 76.360 -10.619 -3.726 1.00 0.00 C ATOM 820 OH TYR A 51 75.725 -11.566 -2.957 1.00 0.00 O ATOM 0 H TYR A 51 79.998 -7.080 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 51 79.992 -6.732 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.861 -6.704 -5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.219 -7.931 -7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.611 -7.505 -3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.511 -10.145 -6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.481 -9.201 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.374 -11.838 -5.481 1.00 0.00 H new ATOM 0 HH TYR A 51 76.356 -11.934 -2.304 1.00 0.00 H new ATOM 830 N CYS A 52 80.705 -9.808 -6.069 1.00 0.00 N ATOM 831 CA CYS A 52 81.225 -11.094 -5.593 1.00 0.00 C ATOM 832 C CYS A 52 82.658 -10.967 -5.073 1.00 0.00 C ATOM 833 O CYS A 52 83.033 -11.627 -4.103 1.00 0.00 O ATOM 834 CB CYS A 52 81.172 -12.154 -6.700 1.00 0.00 C ATOM 835 SG CYS A 52 79.583 -12.251 -7.557 1.00 0.00 S ATOM 0 H CYS A 52 80.589 -9.746 -7.081 1.00 0.00 H new ATOM 0 HA CYS A 52 80.585 -11.408 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.953 -11.941 -7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.398 -13.128 -6.266 1.00 0.00 H new ATOM 0 HG CYS A 52 79.429 -11.200 -8.307 1.00 0.00 H new ATOM 841 N GLN A 53 83.452 -10.112 -5.718 1.00 0.00 N ATOM 842 CA GLN A 53 84.843 -9.901 -5.317 1.00 0.00 C ATOM 843 C GLN A 53 84.945 -9.189 -3.960 1.00 0.00 C ATOM 844 O GLN A 53 85.943 -9.327 -3.254 1.00 0.00 O ATOM 845 CB GLN A 53 85.592 -9.118 -6.407 1.00 0.00 C ATOM 846 CG GLN A 53 85.858 -7.658 -6.065 1.00 0.00 C ATOM 847 CD GLN A 53 86.228 -6.824 -7.278 1.00 0.00 C ATOM 848 OE1 GLN A 53 85.628 -5.652 -7.394 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 87.043 -7.228 -8.102 1.00 0.00 N flip ATOM 0 H GLN A 53 83.156 -9.555 -6.520 1.00 0.00 H new ATOM 0 HA GLN A 53 85.311 -10.878 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.544 -9.612 -6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.015 -9.162 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 53 84.971 -7.233 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.664 -7.603 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.485 -8.139 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 53 87.278 -6.653 -8.911 1.00 0.00 H new ATOM 858 N ARG A 54 83.907 -8.430 -3.601 1.00 0.00 N ATOM 859 CA ARG A 54 83.889 -7.710 -2.328 1.00 0.00 C ATOM 860 C ARG A 54 83.627 -8.665 -1.163 1.00 0.00 C ATOM 861 O ARG A 54 84.286 -8.585 -0.125 1.00 0.00 O ATOM 862 CB ARG A 54 82.827 -6.606 -2.352 1.00 0.00 C ATOM 863 CG ARG A 54 83.351 -5.249 -1.911 1.00 0.00 C ATOM 864 CD ARG A 54 83.580 -5.198 -0.407 1.00 0.00 C ATOM 865 NE ARG A 54 84.801 -4.472 -0.064 1.00 0.00 N ATOM 866 CZ ARG A 54 85.901 -5.044 0.406 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.964 -6.346 0.578 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.948 -4.311 0.696 1.00 0.00 N ATOM 0 H ARG A 54 83.072 -8.299 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 54 84.869 -7.254 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.426 -6.521 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.000 -6.895 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.285 -5.033 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.641 -4.473 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 54 82.727 -4.720 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.639 -6.213 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 54 84.807 -3.460 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.160 -6.930 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.817 -6.772 0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.917 -3.301 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.794 -4.751 1.058 1.00 0.00 H new ATOM 882 N GLN A 55 82.653 -9.555 -1.337 1.00 0.00 N ATOM 883 CA GLN A 55 82.315 -10.538 -0.305 1.00 0.00 C ATOM 884 C GLN A 55 83.334 -11.685 -0.263 1.00 0.00 C ATOM 885 O GLN A 55 83.733 -12.130 0.812 1.00 0.00 O ATOM 886 CB GLN A 55 80.909 -11.112 -0.534 1.00 0.00 C ATOM 887 CG GLN A 55 79.838 -10.069 -0.835 1.00 0.00 C ATOM 888 CD GLN A 55 78.522 -10.373 -0.142 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.918 -9.509 0.489 1.00 0.00 O ATOM 890 NE2 GLN A 55 78.067 -11.611 -0.257 1.00 0.00 N ATOM 0 H GLN A 55 82.083 -9.618 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 55 82.339 -10.017 0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.950 -11.820 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.612 -11.674 0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.192 -9.087 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.675 -10.020 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.596 -12.302 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.187 -11.874 0.187 1.00 0.00 H new ATOM 899 N GLY A 56 83.746 -12.166 -1.435 1.00 0.00 N ATOM 900 CA GLY A 56 84.709 -13.256 -1.498 1.00 0.00 C ATOM 901 C GLY A 56 84.061 -14.597 -1.807 1.00 0.00 C ATOM 902 O GLY A 56 84.538 -15.640 -1.362 1.00 0.00 O ATOM 0 H GLY A 56 83.431 -11.821 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.454 -13.033 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 56 85.238 -13.323 -0.547 1.00 0.00 H new ATOM 906 N VAL A 57 82.976 -14.569 -2.576 1.00 0.00 N ATOM 907 CA VAL A 57 82.260 -15.792 -2.939 1.00 0.00 C ATOM 908 C VAL A 57 82.033 -15.877 -4.451 1.00 0.00 C ATOM 909 O VAL A 57 81.798 -14.862 -5.106 1.00 0.00 O ATOM 910 CB VAL A 57 80.890 -15.889 -2.224 1.00 0.00 C ATOM 911 CG1 VAL A 57 81.043 -16.534 -0.854 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.237 -14.519 -2.104 1.00 0.00 C ATOM 0 H VAL A 57 82.572 -13.715 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 57 82.889 -16.622 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 57 80.239 -16.520 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 57 80.069 -16.593 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 57 81.452 -17.538 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.717 -15.934 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.276 -14.617 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.884 -13.857 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.082 -14.101 -3.099 1.00 0.00 H new ATOM 922 N PRO A 58 82.114 -17.094 -5.030 1.00 0.00 N ATOM 923 CA PRO A 58 81.903 -17.302 -6.471 1.00 0.00 C ATOM 924 C PRO A 58 80.463 -17.010 -6.895 1.00 0.00 C ATOM 925 O PRO A 58 79.522 -17.244 -6.137 1.00 0.00 O ATOM 926 CB PRO A 58 82.225 -18.789 -6.683 1.00 0.00 C ATOM 927 CG PRO A 58 82.951 -19.219 -5.453 1.00 0.00 C ATOM 928 CD PRO A 58 82.431 -18.354 -4.341 1.00 0.00 C ATOM 0 HA PRO A 58 82.524 -16.632 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 58 81.315 -19.371 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.839 -18.935 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 82.772 -20.274 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 58 84.027 -19.096 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 58 81.551 -18.789 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 58 83.176 -18.211 -3.558 1.00 0.00 H new ATOM 936 N MET A 59 80.294 -16.528 -8.124 1.00 0.00 N ATOM 937 CA MET A 59 78.963 -16.198 -8.650 1.00 0.00 C ATOM 938 C MET A 59 78.219 -17.440 -9.164 1.00 0.00 C ATOM 939 O MET A 59 77.443 -17.362 -10.117 1.00 0.00 O ATOM 940 CB MET A 59 79.079 -15.154 -9.767 1.00 0.00 C ATOM 941 CG MET A 59 80.099 -15.508 -10.842 1.00 0.00 C ATOM 942 SD MET A 59 79.571 -15.008 -12.490 1.00 0.00 S ATOM 943 CE MET A 59 80.112 -13.299 -12.514 1.00 0.00 C ATOM 0 H MET A 59 81.058 -16.356 -8.777 1.00 0.00 H new ATOM 0 HA MET A 59 78.381 -15.786 -7.826 1.00 0.00 H new ATOM 0 HB2 MET A 59 78.103 -15.027 -10.235 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.349 -14.194 -9.327 1.00 0.00 H new ATOM 0 HG2 MET A 59 81.049 -15.028 -10.608 1.00 0.00 H new ATOM 0 HG3 MET A 59 80.274 -16.584 -10.831 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.856 -12.850 -13.473 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.618 -12.750 -11.712 1.00 0.00 H new ATOM 0 HE3 MET A 59 81.192 -13.257 -12.371 1.00 0.00 H new ATOM 953 N ASN A 60 78.453 -18.582 -8.526 1.00 0.00 N ATOM 954 CA ASN A 60 77.793 -19.827 -8.919 1.00 0.00 C ATOM 955 C ASN A 60 76.670 -20.210 -7.946 1.00 0.00 C ATOM 956 O ASN A 60 75.726 -20.902 -8.327 1.00 0.00 O ATOM 957 CB ASN A 60 78.811 -20.972 -9.027 1.00 0.00 C ATOM 958 CG ASN A 60 78.664 -21.752 -10.321 1.00 0.00 C ATOM 959 OD1 ASN A 60 79.623 -21.923 -11.067 1.00 0.00 O ATOM 960 ND2 ASN A 60 77.462 -22.232 -10.593 1.00 0.00 N ATOM 0 H ASN A 60 79.092 -18.674 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 60 77.344 -19.658 -9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.820 -20.565 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.685 -21.648 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 60 77.308 -22.766 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.689 -22.069 -9.947 1.00 0.00 H new ATOM 967 N SER A 61 76.771 -19.760 -6.693 1.00 0.00 N ATOM 968 CA SER A 61 75.762 -20.064 -5.679 1.00 0.00 C ATOM 969 C SER A 61 74.803 -18.888 -5.473 1.00 0.00 C ATOM 970 O SER A 61 73.723 -19.050 -4.898 1.00 0.00 O ATOM 971 CB SER A 61 76.433 -20.419 -4.353 1.00 0.00 C ATOM 972 OG SER A 61 77.582 -19.620 -4.132 1.00 0.00 O ATOM 0 H SER A 61 77.543 -19.183 -6.357 1.00 0.00 H new ATOM 0 HA SER A 61 75.185 -20.918 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 61 75.726 -20.279 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 61 76.714 -21.472 -4.355 1.00 0.00 H new ATOM 0 HG SER A 61 77.992 -19.866 -3.276 1.00 0.00 H new ATOM 978 N LEU A 62 75.208 -17.708 -5.936 1.00 0.00 N ATOM 979 CA LEU A 62 74.386 -16.503 -5.808 1.00 0.00 C ATOM 980 C LEU A 62 73.993 -15.968 -7.185 1.00 0.00 C ATOM 981 O LEU A 62 74.807 -15.946 -8.108 1.00 0.00 O ATOM 982 CB LEU A 62 75.122 -15.414 -5.015 1.00 0.00 C ATOM 983 CG LEU A 62 76.612 -15.664 -4.765 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.437 -14.468 -5.212 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.863 -15.966 -3.296 1.00 0.00 C ATOM 0 H LEU A 62 76.102 -17.558 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 62 73.482 -16.776 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.016 -14.469 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.626 -15.295 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 62 76.918 -16.530 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.493 -14.665 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 62 77.282 -14.296 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 62 77.129 -13.584 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.927 -16.141 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.540 -15.119 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.302 -16.854 -3.006 1.00 0.00 H new ATOM 997 N ARG A 63 72.742 -15.537 -7.314 1.00 0.00 N ATOM 998 CA ARG A 63 72.237 -15.014 -8.582 1.00 0.00 C ATOM 999 C ARG A 63 71.691 -13.593 -8.431 1.00 0.00 C ATOM 1000 O ARG A 63 70.955 -13.293 -7.490 1.00 0.00 O ATOM 1001 CB ARG A 63 71.137 -15.929 -9.142 1.00 0.00 C ATOM 1002 CG ARG A 63 71.065 -17.297 -8.479 1.00 0.00 C ATOM 1003 CD ARG A 63 70.868 -18.402 -9.505 1.00 0.00 C ATOM 1004 NE ARG A 63 71.079 -19.734 -8.936 1.00 0.00 N ATOM 1005 CZ ARG A 63 72.270 -20.288 -8.758 1.00 0.00 C ATOM 1006 NH1 ARG A 63 73.366 -19.642 -9.073 1.00 0.00 N ATOM 1007 NH2 ARG A 63 72.365 -21.496 -8.263 1.00 0.00 N ATOM 0 H ARG A 63 72.058 -15.539 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 63 73.077 -14.986 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.174 -15.432 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.302 -16.064 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.981 -17.479 -7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.243 -17.313 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.859 -18.340 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 63 71.558 -18.251 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 63 70.257 -20.270 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 63 73.309 -18.700 -9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 63 74.276 -20.081 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.522 -22.013 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 63 73.282 -21.921 -8.127 1.00 0.00 H new ATOM 1021 N LEU A 64 72.056 -12.725 -9.370 1.00 0.00 N ATOM 1022 CA LEU A 64 71.595 -11.333 -9.358 1.00 0.00 C ATOM 1023 C LEU A 64 70.390 -11.174 -10.287 1.00 0.00 C ATOM 1024 O LEU A 64 70.432 -11.597 -11.444 1.00 0.00 O ATOM 1025 CB LEU A 64 72.723 -10.384 -9.790 1.00 0.00 C ATOM 1026 CG LEU A 64 73.740 -10.035 -8.700 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.847 -11.077 -8.636 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.325 -8.652 -8.943 1.00 0.00 C ATOM 0 H LEU A 64 72.670 -12.957 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 64 71.299 -11.075 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.254 -10.836 -10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.277 -9.460 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 64 73.222 -10.031 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.557 -10.806 -7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.416 -12.053 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.363 -11.119 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 64 75.046 -8.419 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.823 -8.633 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.525 -7.912 -8.932 1.00 0.00 H new ATOM 1040 N LEU A 65 69.317 -10.565 -9.783 1.00 0.00 N ATOM 1041 CA LEU A 65 68.110 -10.384 -10.593 1.00 0.00 C ATOM 1042 C LEU A 65 67.450 -9.016 -10.373 1.00 0.00 C ATOM 1043 O LEU A 65 67.611 -8.384 -9.327 1.00 0.00 O ATOM 1044 CB LEU A 65 67.117 -11.561 -10.372 1.00 0.00 C ATOM 1045 CG LEU A 65 66.142 -11.516 -9.167 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.814 -11.039 -7.888 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.913 -10.672 -9.480 1.00 0.00 C ATOM 0 H LEU A 65 69.257 -10.194 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 65 68.415 -10.398 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.516 -11.656 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.706 -12.474 -10.283 1.00 0.00 H new ATOM 0 HG LEU A 65 65.819 -12.543 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.086 -11.027 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.631 -11.714 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.208 -10.034 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.250 -10.661 -8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.221 -9.653 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.387 -11.098 -10.335 1.00 0.00 H new ATOM 1059 N PHE A 66 66.721 -8.558 -11.389 1.00 0.00 N ATOM 1060 CA PHE A 66 66.017 -7.279 -11.323 1.00 0.00 C ATOM 1061 C PHE A 66 64.654 -7.379 -12.011 1.00 0.00 C ATOM 1062 O PHE A 66 64.569 -7.796 -13.166 1.00 0.00 O ATOM 1063 CB PHE A 66 66.853 -6.166 -11.970 1.00 0.00 C ATOM 1064 CG PHE A 66 66.280 -4.789 -11.764 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.344 -4.172 -10.522 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.673 -4.115 -12.810 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.812 -2.910 -10.332 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.141 -2.853 -12.627 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.210 -2.251 -11.385 1.00 0.00 C ATOM 0 H PHE A 66 66.602 -9.056 -12.271 1.00 0.00 H new ATOM 0 HA PHE A 66 65.862 -7.032 -10.273 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.863 -6.196 -11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.937 -6.360 -13.039 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.814 -4.683 -9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.615 -4.582 -13.782 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.867 -2.440 -9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.672 -2.338 -13.453 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.793 -1.266 -11.238 1.00 0.00 H new ATOM 1079 N GLU A 67 63.596 -7.022 -11.272 1.00 0.00 N ATOM 1080 CA GLU A 67 62.203 -7.047 -11.765 1.00 0.00 C ATOM 1081 C GLU A 67 61.784 -8.419 -12.337 1.00 0.00 C ATOM 1082 O GLU A 67 60.820 -8.518 -13.101 1.00 0.00 O ATOM 1083 CB GLU A 67 61.962 -5.911 -12.786 1.00 0.00 C ATOM 1084 CG GLU A 67 62.307 -6.252 -14.234 1.00 0.00 C ATOM 1085 CD GLU A 67 61.165 -5.971 -15.196 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.270 -5.172 -14.844 1.00 0.00 O ATOM 1087 OE2 GLU A 67 61.170 -6.546 -16.305 1.00 0.00 O ATOM 0 H GLU A 67 63.678 -6.704 -10.306 1.00 0.00 H new ATOM 0 HA GLU A 67 61.563 -6.877 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.913 -5.619 -12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.549 -5.043 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 63.182 -5.677 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.579 -7.305 -14.299 1.00 0.00 H new ATOM 1094 N GLY A 68 62.485 -9.477 -11.935 1.00 0.00 N ATOM 1095 CA GLY A 68 62.164 -10.814 -12.417 1.00 0.00 C ATOM 1096 C GLY A 68 63.097 -11.297 -13.519 1.00 0.00 C ATOM 1097 O GLY A 68 63.022 -12.451 -13.941 1.00 0.00 O ATOM 0 H GLY A 68 63.269 -9.434 -11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.206 -11.514 -11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.139 -10.823 -12.788 1.00 0.00 H new ATOM 1101 N GLN A 69 63.976 -10.417 -13.983 1.00 0.00 N ATOM 1102 CA GLN A 69 64.922 -10.755 -15.042 1.00 0.00 C ATOM 1103 C GLN A 69 66.327 -10.989 -14.469 1.00 0.00 C ATOM 1104 O GLN A 69 66.774 -10.263 -13.581 1.00 0.00 O ATOM 1105 CB GLN A 69 64.937 -9.637 -16.094 1.00 0.00 C ATOM 1106 CG GLN A 69 66.268 -9.462 -16.808 1.00 0.00 C ATOM 1107 CD GLN A 69 66.140 -8.714 -18.124 1.00 0.00 C ATOM 1108 OE1 GLN A 69 66.933 -8.912 -19.042 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.142 -7.850 -18.227 1.00 0.00 N ATOM 0 H GLN A 69 64.054 -9.459 -13.641 1.00 0.00 H new ATOM 0 HA GLN A 69 64.604 -11.683 -15.517 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.165 -9.843 -16.836 1.00 0.00 H new ATOM 0 HB3 GLN A 69 64.672 -8.697 -15.611 1.00 0.00 H new ATOM 0 HG2 GLN A 69 66.956 -8.924 -16.156 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.706 -10.443 -16.995 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.504 -7.712 -17.443 1.00 0.00 H new ATOM 0 HE22 GLN A 69 65.012 -7.322 -19.090 1.00 0.00 H new ATOM 1118 N ARG A 70 67.014 -12.010 -14.984 1.00 0.00 N ATOM 1119 CA ARG A 70 68.365 -12.342 -14.522 1.00 0.00 C ATOM 1120 C ARG A 70 69.416 -11.390 -15.107 1.00 0.00 C ATOM 1121 O ARG A 70 69.258 -10.865 -16.210 1.00 0.00 O ATOM 1122 CB ARG A 70 68.708 -13.796 -14.873 1.00 0.00 C ATOM 1123 CG ARG A 70 68.904 -14.051 -16.363 1.00 0.00 C ATOM 1124 CD ARG A 70 69.807 -15.248 -16.612 1.00 0.00 C ATOM 1125 NE ARG A 70 69.601 -15.825 -17.939 1.00 0.00 N ATOM 1126 CZ ARG A 70 68.861 -16.898 -18.175 1.00 0.00 C ATOM 1127 NH1 ARG A 70 68.252 -17.519 -17.194 1.00 0.00 N ATOM 1128 NH2 ARG A 70 68.733 -17.351 -19.396 1.00 0.00 N ATOM 0 H ARG A 70 66.659 -12.621 -15.720 1.00 0.00 H new ATOM 0 HA ARG A 70 68.380 -12.224 -13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 70 69.618 -14.080 -14.345 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.911 -14.444 -14.507 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.936 -14.221 -16.834 1.00 0.00 H new ATOM 0 HG3 ARG A 70 69.335 -13.166 -16.831 1.00 0.00 H new ATOM 0 HD2 ARG A 70 70.848 -14.944 -16.507 1.00 0.00 H new ATOM 0 HD3 ARG A 70 69.619 -16.008 -15.853 1.00 0.00 H new ATOM 0 HE ARG A 70 70.055 -15.373 -18.733 1.00 0.00 H new ATOM 0 HH11 ARG A 70 68.346 -17.177 -16.238 1.00 0.00 H new ATOM 0 HH12 ARG A 70 67.685 -18.344 -17.387 1.00 0.00 H new ATOM 0 HH21 ARG A 70 69.203 -16.878 -20.167 1.00 0.00 H new ATOM 0 HH22 ARG A 70 68.163 -18.177 -19.576 1.00 0.00 H new ATOM 1142 N ILE A 71 70.493 -11.178 -14.356 1.00 0.00 N ATOM 1143 CA ILE A 71 71.568 -10.289 -14.794 1.00 0.00 C ATOM 1144 C ILE A 71 72.714 -11.069 -15.452 1.00 0.00 C ATOM 1145 O ILE A 71 73.281 -11.993 -14.864 1.00 0.00 O ATOM 1146 CB ILE A 71 72.105 -9.426 -13.616 1.00 0.00 C ATOM 1147 CG1 ILE A 71 71.298 -8.131 -13.507 1.00 0.00 C ATOM 1148 CG2 ILE A 71 73.586 -9.104 -13.778 1.00 0.00 C ATOM 1149 CD1 ILE A 71 70.509 -8.019 -12.226 1.00 0.00 C ATOM 0 H ILE A 71 70.646 -11.608 -13.444 1.00 0.00 H new ATOM 0 HA ILE A 71 71.143 -9.620 -15.542 1.00 0.00 H new ATOM 0 HB ILE A 71 71.991 -10.007 -12.701 1.00 0.00 H new ATOM 0 HG12 ILE A 71 71.977 -7.282 -13.581 1.00 0.00 H new ATOM 0 HG13 ILE A 71 70.613 -8.067 -14.353 1.00 0.00 H new ATOM 0 HG21 ILE A 71 73.921 -8.500 -12.935 1.00 0.00 H new ATOM 0 HG22 ILE A 71 74.158 -10.031 -13.811 1.00 0.00 H new ATOM 0 HG23 ILE A 71 73.739 -8.550 -14.704 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.962 -7.077 -12.217 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.805 -8.848 -12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 71 71.190 -8.051 -11.375 1.00 0.00 H new ATOM 1161 N ALA A 72 73.018 -10.702 -16.693 1.00 0.00 N ATOM 1162 CA ALA A 72 74.099 -11.327 -17.447 1.00 0.00 C ATOM 1163 C ALA A 72 75.286 -10.363 -17.625 1.00 0.00 C ATOM 1164 O ALA A 72 75.585 -9.564 -16.741 1.00 0.00 O ATOM 1165 CB ALA A 72 73.578 -11.813 -18.796 1.00 0.00 C ATOM 0 H ALA A 72 72.525 -9.968 -17.202 1.00 0.00 H new ATOM 0 HA ALA A 72 74.463 -12.186 -16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 74.391 -12.279 -19.354 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.783 -12.541 -18.638 1.00 0.00 H new ATOM 0 HB3 ALA A 72 73.188 -10.967 -19.362 1.00 0.00 H new ATOM 1171 N ASP A 73 75.956 -10.440 -18.775 1.00 0.00 N ATOM 1172 CA ASP A 73 77.118 -9.598 -19.057 1.00 0.00 C ATOM 1173 C ASP A 73 76.756 -8.382 -19.917 1.00 0.00 C ATOM 1174 O ASP A 73 76.994 -7.240 -19.526 1.00 0.00 O ATOM 1175 CB ASP A 73 78.206 -10.418 -19.758 1.00 0.00 C ATOM 1176 CG ASP A 73 78.603 -11.661 -18.982 1.00 0.00 C ATOM 1177 OD1 ASP A 73 79.539 -11.575 -18.157 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.975 -12.719 -19.197 1.00 0.00 O ATOM 0 H ASP A 73 75.712 -11.081 -19.530 1.00 0.00 H new ATOM 0 HA ASP A 73 77.489 -9.230 -18.101 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.853 -10.711 -20.747 1.00 0.00 H new ATOM 0 HB3 ASP A 73 79.086 -9.792 -19.907 1.00 0.00 H new ATOM 1183 N ASN A 74 76.162 -8.640 -21.087 1.00 0.00 N ATOM 1184 CA ASN A 74 75.793 -7.574 -22.039 1.00 0.00 C ATOM 1185 C ASN A 74 74.549 -6.777 -21.619 1.00 0.00 C ATOM 1186 O ASN A 74 73.839 -6.236 -22.466 1.00 0.00 O ATOM 1187 CB ASN A 74 75.574 -8.157 -23.442 1.00 0.00 C ATOM 1188 CG ASN A 74 76.879 -8.508 -24.131 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.844 -7.752 -24.080 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.915 -9.658 -24.782 1.00 0.00 N ATOM 0 H ASN A 74 75.924 -9.580 -21.403 1.00 0.00 H new ATOM 0 HA ASN A 74 76.632 -6.878 -22.044 1.00 0.00 H new ATOM 0 HB2 ASN A 74 74.953 -9.050 -23.369 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.027 -7.437 -24.051 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.767 -9.944 -25.265 1.00 0.00 H new ATOM 0 HD22 ASN A 74 76.091 -10.259 -24.801 1.00 0.00 H new ATOM 1197 N HIS A 75 74.287 -6.697 -20.321 1.00 0.00 N ATOM 1198 CA HIS A 75 73.136 -5.950 -19.820 1.00 0.00 C ATOM 1199 C HIS A 75 73.538 -4.525 -19.447 1.00 0.00 C ATOM 1200 O HIS A 75 74.667 -4.282 -19.028 1.00 0.00 O ATOM 1201 CB HIS A 75 72.540 -6.643 -18.599 1.00 0.00 C ATOM 1202 CG HIS A 75 71.431 -7.597 -18.924 1.00 0.00 C ATOM 1203 ND1 HIS A 75 71.558 -8.964 -18.826 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.160 -7.373 -19.332 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.415 -9.539 -19.160 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.547 -8.595 -19.471 1.00 0.00 N ATOM 0 H HIS A 75 74.853 -7.138 -19.596 1.00 0.00 H new ATOM 0 HA HIS A 75 72.389 -5.913 -20.613 1.00 0.00 H new ATOM 0 HB2 HIS A 75 73.330 -7.184 -18.078 1.00 0.00 H new ATOM 0 HB3 HIS A 75 72.165 -5.886 -17.911 1.00 0.00 H new ATOM 0 HD2 HIS A 75 69.709 -6.409 -19.515 1.00 0.00 H new ATOM 0 HE1 HIS A 75 70.224 -10.602 -19.176 1.00 0.00 H new ATOM 0 HE2 HIS A 75 68.582 -8.747 -19.765 1.00 0.00 H new ATOM 1214 N THR A 76 72.611 -3.590 -19.603 1.00 0.00 N ATOM 1215 CA THR A 76 72.868 -2.191 -19.270 1.00 0.00 C ATOM 1216 C THR A 76 71.781 -1.642 -18.346 1.00 0.00 C ATOM 1217 O THR A 76 70.614 -2.020 -18.464 1.00 0.00 O ATOM 1218 CB THR A 76 72.942 -1.307 -20.534 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.110 -1.849 -21.565 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.374 -1.195 -21.037 1.00 0.00 C ATOM 0 H THR A 76 71.672 -3.773 -19.958 1.00 0.00 H new ATOM 0 HA THR A 76 73.832 -2.161 -18.762 1.00 0.00 H new ATOM 0 HB THR A 76 72.588 -0.310 -20.270 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.163 -1.280 -22.361 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.399 -0.567 -21.928 1.00 0.00 H new ATOM 0 HG22 THR A 76 74.998 -0.750 -20.262 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.752 -2.187 -21.282 1.00 0.00 H new ATOM 1228 N PRO A 77 72.148 -0.744 -17.407 1.00 0.00 N ATOM 1229 CA PRO A 77 71.190 -0.139 -16.465 1.00 0.00 C ATOM 1230 C PRO A 77 70.023 0.555 -17.171 1.00 0.00 C ATOM 1231 O PRO A 77 68.874 0.456 -16.735 1.00 0.00 O ATOM 1232 CB PRO A 77 72.035 0.889 -15.708 1.00 0.00 C ATOM 1233 CG PRO A 77 73.435 0.400 -15.833 1.00 0.00 C ATOM 1234 CD PRO A 77 73.523 -0.262 -17.180 1.00 0.00 C ATOM 0 HA PRO A 77 70.727 -0.891 -15.827 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.924 1.885 -16.138 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.732 0.957 -14.663 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.145 1.224 -15.756 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.675 -0.303 -15.036 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.837 0.439 -17.954 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.242 -1.081 -17.180 1.00 0.00 H new ATOM 1242 N LYS A 78 70.325 1.247 -18.271 1.00 0.00 N ATOM 1243 CA LYS A 78 69.305 1.955 -19.049 1.00 0.00 C ATOM 1244 C LYS A 78 68.337 0.979 -19.732 1.00 0.00 C ATOM 1245 O LYS A 78 67.205 1.339 -20.055 1.00 0.00 O ATOM 1246 CB LYS A 78 69.963 2.872 -20.090 1.00 0.00 C ATOM 1247 CG LYS A 78 70.694 2.134 -21.205 1.00 0.00 C ATOM 1248 CD LYS A 78 70.777 2.975 -22.469 1.00 0.00 C ATOM 1249 CE LYS A 78 71.421 2.204 -23.610 1.00 0.00 C ATOM 1250 NZ LYS A 78 71.206 2.874 -24.922 1.00 0.00 N ATOM 0 H LYS A 78 71.270 1.333 -18.645 1.00 0.00 H new ATOM 0 HA LYS A 78 68.727 2.566 -18.356 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.196 3.508 -20.533 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.669 3.530 -19.583 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.699 1.874 -20.873 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.179 1.198 -21.422 1.00 0.00 H new ATOM 0 HD2 LYS A 78 69.776 3.293 -22.762 1.00 0.00 H new ATOM 0 HD3 LYS A 78 71.352 3.879 -22.269 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.490 2.105 -23.424 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.009 1.196 -23.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 71.660 2.318 -25.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 70.186 2.946 -25.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 71.622 3.827 -24.897 1.00 0.00 H new ATOM 1264 N GLU A 79 68.787 -0.257 -19.944 1.00 0.00 N ATOM 1265 CA GLU A 79 67.959 -1.284 -20.574 1.00 0.00 C ATOM 1266 C GLU A 79 67.117 -2.012 -19.526 1.00 0.00 C ATOM 1267 O GLU A 79 65.959 -2.350 -19.765 1.00 0.00 O ATOM 1268 CB GLU A 79 68.841 -2.283 -21.327 1.00 0.00 C ATOM 1269 CG GLU A 79 68.103 -3.060 -22.408 1.00 0.00 C ATOM 1270 CD GLU A 79 68.756 -4.395 -22.715 1.00 0.00 C ATOM 1271 OE1 GLU A 79 69.122 -5.111 -21.758 1.00 0.00 O ATOM 1272 OE2 GLU A 79 68.902 -4.723 -23.911 1.00 0.00 O ATOM 0 H GLU A 79 69.723 -0.572 -19.688 1.00 0.00 H new ATOM 0 HA GLU A 79 67.287 -0.800 -21.283 1.00 0.00 H new ATOM 0 HB2 GLU A 79 69.674 -1.747 -21.782 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.267 -2.988 -20.613 1.00 0.00 H new ATOM 0 HG2 GLU A 79 67.074 -3.227 -22.091 1.00 0.00 H new ATOM 0 HG3 GLU A 79 68.063 -2.461 -23.318 1.00 0.00 H new ATOM 1279 N LEU A 80 67.718 -2.255 -18.361 1.00 0.00 N ATOM 1280 CA LEU A 80 67.034 -2.936 -17.262 1.00 0.00 C ATOM 1281 C LEU A 80 65.993 -2.036 -16.579 1.00 0.00 C ATOM 1282 O LEU A 80 65.085 -2.529 -15.911 1.00 0.00 O ATOM 1283 CB LEU A 80 68.054 -3.413 -16.221 1.00 0.00 C ATOM 1284 CG LEU A 80 68.889 -4.625 -16.633 1.00 0.00 C ATOM 1285 CD1 LEU A 80 69.727 -5.117 -15.465 1.00 0.00 C ATOM 1286 CD2 LEU A 80 67.992 -5.737 -17.149 1.00 0.00 C ATOM 0 H LEU A 80 68.681 -1.989 -18.154 1.00 0.00 H new ATOM 0 HA LEU A 80 66.509 -3.790 -17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.729 -2.588 -15.993 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.523 -3.654 -15.300 1.00 0.00 H new ATOM 0 HG LEU A 80 69.562 -4.323 -17.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.315 -5.980 -15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.396 -4.322 -15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.072 -5.402 -14.642 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.603 -6.592 -17.438 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.296 -6.036 -16.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.433 -5.381 -18.014 1.00 0.00 H new ATOM 1298 N GLY A 81 66.123 -0.720 -16.748 1.00 0.00 N ATOM 1299 CA GLY A 81 65.187 0.203 -16.131 1.00 0.00 C ATOM 1300 C GLY A 81 65.661 0.696 -14.775 1.00 0.00 C ATOM 1301 O GLY A 81 64.852 1.049 -13.917 1.00 0.00 O ATOM 0 H GLY A 81 66.859 -0.279 -17.300 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.036 1.057 -16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.220 -0.287 -16.018 1.00 0.00 H new ATOM 1305 N MET A 82 66.978 0.727 -14.578 1.00 0.00 N ATOM 1306 CA MET A 82 67.543 1.187 -13.311 1.00 0.00 C ATOM 1307 C MET A 82 67.937 2.659 -13.403 1.00 0.00 C ATOM 1308 O MET A 82 68.856 3.027 -14.136 1.00 0.00 O ATOM 1309 CB MET A 82 68.767 0.342 -12.944 1.00 0.00 C ATOM 1310 CG MET A 82 68.442 -0.882 -12.103 1.00 0.00 C ATOM 1311 SD MET A 82 69.137 -2.399 -12.787 1.00 0.00 S ATOM 1312 CE MET A 82 70.889 -2.114 -12.548 1.00 0.00 C ATOM 0 H MET A 82 67.668 0.442 -15.273 1.00 0.00 H new ATOM 0 HA MET A 82 66.786 1.076 -12.535 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.262 0.020 -13.860 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.477 0.966 -12.401 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.824 -0.735 -11.093 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.360 -0.986 -12.023 1.00 0.00 H new ATOM 0 HE1 MET A 82 71.451 -2.969 -12.923 1.00 0.00 H new ATOM 0 HE2 MET A 82 71.189 -1.217 -13.089 1.00 0.00 H new ATOM 0 HE3 MET A 82 71.095 -1.983 -11.486 1.00 0.00 H new ATOM 1322 N GLU A 83 67.237 3.503 -12.650 1.00 0.00 N ATOM 1323 CA GLU A 83 67.509 4.935 -12.654 1.00 0.00 C ATOM 1324 C GLU A 83 67.502 5.523 -11.242 1.00 0.00 C ATOM 1325 O GLU A 83 66.720 5.093 -10.394 1.00 0.00 O ATOM 1326 CB GLU A 83 66.495 5.671 -13.529 1.00 0.00 C ATOM 1327 CG GLU A 83 66.911 7.090 -13.878 1.00 0.00 C ATOM 1328 CD GLU A 83 66.882 7.364 -15.370 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.772 7.450 -15.937 1.00 0.00 O ATOM 1330 OE2 GLU A 83 67.970 7.492 -15.970 1.00 0.00 O ATOM 0 H GLU A 83 66.478 3.219 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 83 68.508 5.071 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 83 66.346 5.108 -14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.535 5.699 -13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.249 7.792 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.917 7.272 -13.500 1.00 0.00 H new ATOM 1337 N GLU A 84 68.373 6.513 -11.018 1.00 0.00 N ATOM 1338 CA GLU A 84 68.502 7.227 -9.731 1.00 0.00 C ATOM 1339 C GLU A 84 68.963 6.336 -8.573 1.00 0.00 C ATOM 1340 O GLU A 84 69.949 6.643 -7.906 1.00 0.00 O ATOM 1341 CB GLU A 84 67.183 7.920 -9.364 1.00 0.00 C ATOM 1342 CG GLU A 84 66.924 9.200 -10.145 1.00 0.00 C ATOM 1343 CD GLU A 84 66.155 10.230 -9.342 1.00 0.00 C ATOM 1344 OE1 GLU A 84 66.797 11.026 -8.625 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.909 10.244 -9.430 1.00 0.00 O ATOM 0 H GLU A 84 69.019 6.850 -11.732 1.00 0.00 H new ATOM 0 HA GLU A 84 69.285 7.970 -9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 66.359 7.227 -9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 67.188 8.150 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 84 67.876 9.628 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 84 66.367 8.962 -11.051 1.00 0.00 H new ATOM 1352 N GLU A 85 68.259 5.239 -8.335 1.00 0.00 N ATOM 1353 CA GLU A 85 68.621 4.326 -7.259 1.00 0.00 C ATOM 1354 C GLU A 85 69.603 3.274 -7.763 1.00 0.00 C ATOM 1355 O GLU A 85 70.546 2.913 -7.057 1.00 0.00 O ATOM 1356 CB GLU A 85 67.374 3.649 -6.678 1.00 0.00 C ATOM 1357 CG GLU A 85 66.713 4.442 -5.563 1.00 0.00 C ATOM 1358 CD GLU A 85 65.339 3.911 -5.200 1.00 0.00 C ATOM 1359 OE1 GLU A 85 65.265 2.933 -4.429 1.00 0.00 O ATOM 1360 OE2 GLU A 85 64.338 4.475 -5.689 1.00 0.00 O ATOM 0 H GLU A 85 67.437 4.960 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 85 69.099 4.904 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 85 66.651 3.491 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 85 67.649 2.665 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 85 67.351 4.420 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 85 66.626 5.485 -5.867 1.00 0.00 H new ATOM 1367 N ASP A 86 69.380 2.804 -9.001 1.00 0.00 N ATOM 1368 CA ASP A 86 70.252 1.798 -9.632 1.00 0.00 C ATOM 1369 C ASP A 86 70.488 0.555 -8.740 1.00 0.00 C ATOM 1370 O ASP A 86 71.437 -0.197 -8.954 1.00 0.00 O ATOM 1371 CB ASP A 86 71.580 2.453 -10.024 1.00 0.00 C ATOM 1372 CG ASP A 86 72.318 1.700 -11.117 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.654 1.215 -12.056 1.00 0.00 O ATOM 1374 OD2 ASP A 86 73.559 1.604 -11.040 1.00 0.00 O ATOM 0 H ASP A 86 68.601 3.105 -9.587 1.00 0.00 H new ATOM 0 HA ASP A 86 69.743 1.432 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.390 3.473 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.219 2.520 -9.143 1.00 0.00 H new ATOM 1379 N VAL A 87 69.613 0.339 -7.756 1.00 0.00 N ATOM 1380 CA VAL A 87 69.762 -0.770 -6.807 1.00 0.00 C ATOM 1381 C VAL A 87 69.289 -2.115 -7.387 1.00 0.00 C ATOM 1382 O VAL A 87 68.235 -2.206 -8.020 1.00 0.00 O ATOM 1383 CB VAL A 87 68.977 -0.473 -5.500 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.531 -0.100 -5.798 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.033 -1.654 -4.541 1.00 0.00 C ATOM 0 H VAL A 87 68.790 0.919 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 87 70.828 -0.855 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 87 69.458 0.379 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 87 67.007 0.102 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.507 0.790 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 87 67.042 -0.925 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.474 -1.415 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.594 -2.531 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.071 -1.863 -4.282 1.00 0.00 H new ATOM 1395 N ILE A 88 70.099 -3.153 -7.168 1.00 0.00 N ATOM 1396 CA ILE A 88 69.784 -4.507 -7.637 1.00 0.00 C ATOM 1397 C ILE A 88 69.701 -5.485 -6.464 1.00 0.00 C ATOM 1398 O ILE A 88 70.342 -5.285 -5.428 1.00 0.00 O ATOM 1399 CB ILE A 88 70.818 -5.046 -8.657 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.978 -4.063 -8.861 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.138 -5.349 -9.983 1.00 0.00 C ATOM 1402 CD1 ILE A 88 73.110 -4.614 -9.707 1.00 0.00 C ATOM 0 H ILE A 88 70.984 -3.082 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 88 68.818 -4.432 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 88 71.236 -5.968 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.595 -3.157 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.373 -3.775 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.875 -5.727 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.362 -6.100 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.689 -4.438 -10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.891 -3.860 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.522 -5.503 -9.229 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.732 -4.875 -10.695 1.00 0.00 H new ATOM 1414 N GLU A 89 68.916 -6.547 -6.631 1.00 0.00 N ATOM 1415 CA GLU A 89 68.752 -7.548 -5.574 1.00 0.00 C ATOM 1416 C GLU A 89 69.469 -8.855 -5.925 1.00 0.00 C ATOM 1417 O GLU A 89 69.483 -9.283 -7.078 1.00 0.00 O ATOM 1418 CB GLU A 89 67.263 -7.822 -5.303 1.00 0.00 C ATOM 1419 CG GLU A 89 66.982 -8.309 -3.888 1.00 0.00 C ATOM 1420 CD GLU A 89 65.555 -8.033 -3.448 1.00 0.00 C ATOM 1421 OE1 GLU A 89 65.207 -6.848 -3.267 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.785 -9.007 -3.281 1.00 0.00 O ATOM 0 H GLU A 89 68.386 -6.738 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 89 69.205 -7.141 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.695 -6.909 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.904 -8.567 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.175 -9.380 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.672 -7.824 -3.197 1.00 0.00 H new ATOM 1429 N VAL A 90 70.076 -9.476 -4.917 1.00 0.00 N ATOM 1430 CA VAL A 90 70.796 -10.733 -5.109 1.00 0.00 C ATOM 1431 C VAL A 90 70.185 -11.852 -4.257 1.00 0.00 C ATOM 1432 O VAL A 90 69.831 -11.639 -3.097 1.00 0.00 O ATOM 1433 CB VAL A 90 72.294 -10.588 -4.755 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.084 -11.796 -5.237 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.868 -9.305 -5.342 1.00 0.00 C ATOM 0 H VAL A 90 70.084 -9.129 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 90 70.706 -10.991 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 90 72.379 -10.535 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.135 -11.671 -4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.697 -12.697 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.987 -11.886 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.923 -9.225 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.764 -9.323 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.328 -8.448 -4.940 1.00 0.00 H new ATOM 1445 N TYR A 91 70.065 -13.042 -4.840 1.00 0.00 N ATOM 1446 CA TYR A 91 69.496 -14.190 -4.129 1.00 0.00 C ATOM 1447 C TYR A 91 70.464 -15.370 -4.132 1.00 0.00 C ATOM 1448 O TYR A 91 71.135 -15.634 -5.130 1.00 0.00 O ATOM 1449 CB TYR A 91 68.156 -14.611 -4.747 1.00 0.00 C ATOM 1450 CG TYR A 91 66.983 -13.780 -4.273 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.100 -13.214 -5.182 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.764 -13.557 -2.919 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.032 -12.445 -4.756 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.698 -12.793 -2.485 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.836 -12.239 -3.407 1.00 0.00 C ATOM 1456 OH TYR A 91 63.779 -11.472 -2.979 1.00 0.00 O ATOM 0 H TYR A 91 70.352 -13.239 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 91 69.323 -13.884 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.227 -14.538 -5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.969 -15.658 -4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.249 -13.377 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.438 -13.988 -2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.356 -12.009 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.541 -12.631 -1.429 1.00 0.00 H new ATOM 0 HH TYR A 91 63.924 -10.539 -3.242 1.00 0.00 H new ATOM 1466 N GLN A 92 70.537 -16.082 -3.012 1.00 0.00 N ATOM 1467 CA GLN A 92 71.430 -17.232 -2.899 1.00 0.00 C ATOM 1468 C GLN A 92 70.663 -18.551 -2.985 1.00 0.00 C ATOM 1469 O GLN A 92 69.638 -18.736 -2.326 1.00 0.00 O ATOM 1470 CB GLN A 92 72.231 -17.170 -1.593 1.00 0.00 C ATOM 1471 CG GLN A 92 71.378 -16.997 -0.343 1.00 0.00 C ATOM 1472 CD GLN A 92 72.169 -17.212 0.935 1.00 0.00 C ATOM 1473 OE1 GLN A 92 72.846 -18.224 1.098 1.00 0.00 O ATOM 1474 NE2 GLN A 92 72.094 -16.258 1.849 1.00 0.00 N ATOM 0 H GLN A 92 69.992 -15.885 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 92 72.122 -17.191 -3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.816 -18.084 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.939 -16.343 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 92 70.948 -15.995 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 92 70.546 -17.701 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 92 71.521 -15.432 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.609 -16.349 2.725 1.00 0.00 H new ATOM 1483 N GLU A 93 71.166 -19.463 -3.809 1.00 0.00 N ATOM 1484 CA GLU A 93 70.547 -20.773 -3.977 1.00 0.00 C ATOM 1485 C GLU A 93 71.453 -21.872 -3.419 1.00 0.00 C ATOM 1486 O GLU A 93 70.972 -22.893 -2.928 1.00 0.00 O ATOM 1487 CB GLU A 93 70.252 -21.035 -5.456 1.00 0.00 C ATOM 1488 CG GLU A 93 68.939 -21.768 -5.696 1.00 0.00 C ATOM 1489 CD GLU A 93 69.025 -22.769 -6.835 1.00 0.00 C ATOM 1490 OE1 GLU A 93 70.075 -22.809 -7.517 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.044 -23.511 -7.048 1.00 0.00 O ATOM 0 H GLU A 93 72.004 -19.319 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 93 69.608 -20.783 -3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.229 -20.084 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.068 -21.619 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.645 -22.287 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.157 -21.041 -5.915 1.00 0.00 H new ATOM 1498 N GLN A 94 72.767 -21.638 -3.504 1.00 0.00 N ATOM 1499 CA GLN A 94 73.784 -22.578 -3.010 1.00 0.00 C ATOM 1500 C GLN A 94 73.655 -23.964 -3.660 1.00 0.00 C ATOM 1501 O GLN A 94 74.063 -24.157 -4.806 1.00 0.00 O ATOM 1502 CB GLN A 94 73.724 -22.682 -1.476 1.00 0.00 C ATOM 1503 CG GLN A 94 73.677 -21.333 -0.771 1.00 0.00 C ATOM 1504 CD GLN A 94 75.053 -20.813 -0.394 1.00 0.00 C ATOM 1505 OE1 GLN A 94 76.073 -21.338 -0.829 1.00 0.00 O ATOM 1506 NE2 GLN A 94 75.089 -19.769 0.419 1.00 0.00 N ATOM 0 H GLN A 94 73.158 -20.791 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 94 74.759 -22.182 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 94 72.844 -23.260 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 94 74.595 -23.235 -1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 94 73.185 -20.607 -1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 94 73.068 -21.420 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 94 74.220 -19.359 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 94 75.986 -19.375 0.704 1.00 0.00 H new ATOM 1515 N THR A 95 73.089 -24.927 -2.935 1.00 0.00 N ATOM 1516 CA THR A 95 72.927 -26.284 -3.454 1.00 0.00 C ATOM 1517 C THR A 95 71.540 -26.491 -4.057 1.00 0.00 C ATOM 1518 O THR A 95 70.598 -26.885 -3.365 1.00 0.00 O ATOM 1519 CB THR A 95 73.149 -27.340 -2.354 1.00 0.00 C ATOM 1520 OG1 THR A 95 72.339 -27.038 -1.212 1.00 0.00 O ATOM 1521 CG2 THR A 95 74.614 -27.393 -1.945 1.00 0.00 C ATOM 0 H THR A 95 72.735 -24.793 -1.988 1.00 0.00 H new ATOM 0 HA THR A 95 73.681 -26.408 -4.231 1.00 0.00 H new ATOM 0 HB THR A 95 72.863 -28.314 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 95 71.439 -26.786 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 95 74.748 -28.145 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 95 75.224 -27.653 -2.810 1.00 0.00 H new ATOM 0 HG23 THR A 95 74.921 -26.419 -1.564 1.00 0.00 H new ATOM 1529 N GLY A 96 71.420 -26.232 -5.356 1.00 0.00 N ATOM 1530 CA GLY A 96 70.144 -26.396 -6.034 1.00 0.00 C ATOM 1531 C GLY A 96 69.891 -27.827 -6.480 1.00 0.00 C ATOM 1532 O GLY A 96 69.963 -28.139 -7.668 1.00 0.00 O ATOM 0 H GLY A 96 72.183 -25.911 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 96 69.341 -26.081 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 96 70.113 -25.739 -6.903 1.00 0.00 H new ATOM 1536 N GLY A 97 69.597 -28.703 -5.523 1.00 0.00 N ATOM 1537 CA GLY A 97 69.334 -30.100 -5.839 1.00 0.00 C ATOM 1538 C GLY A 97 70.596 -30.953 -5.868 1.00 0.00 C ATOM 1539 O GLY A 97 71.583 -30.580 -5.199 1.00 0.00 O ATOM 1540 OXT GLY A 97 70.591 -31.995 -6.559 1.00 0.00 O ATOM 0 H GLY A 97 69.536 -28.471 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 97 68.643 -30.509 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 97 68.839 -30.160 -6.808 1.00 0.00 H new TER 1544 GLY A 97