USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -146:sc= -0.322 (180deg=-0.874) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -1.63 F(o=-4.4!,f=-1.6) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.139 X(o=0.14,f=-0.0084) USER MOD Single : A 23 MET CE :methyl -142:sc= -6.21! (180deg=-11.6!) USER MOD Single : A 25 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-6.4!) USER MOD Single : A 27 MET CE :methyl -157:sc= -1.72! (180deg=-3.64!) USER MOD Single : A 37 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.14) USER MOD Single : A 47 CYS SG : rot 93:sc= -6.4! USER MOD Single : A 48 SER OG : rot 18:sc= 0.49 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 172:sc= -7.01! USER MOD Single : A 82 GLN :FLIP amide:sc= -0.224 F(o=-1.4,f=-0.22) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.000165 USER MOD Single : A 93 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -3.65! C(o=-10!,f=-3.7!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -148:sc= 2.25 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.667 19.485 1.952 1.00 0.00 N ATOM 2 CA GLY A 1 30.162 20.155 0.764 1.00 0.00 C ATOM 3 C GLY A 1 31.308 19.408 0.112 1.00 0.00 C ATOM 4 O GLY A 1 32.476 19.713 0.356 1.00 0.00 O ATOM 0 H1 GLY A 1 28.885 20.035 2.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.327 18.535 1.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.434 19.404 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.349 20.264 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.491 21.160 1.028 1.00 0.00 H new ATOM 8 N SER A 2 30.976 18.425 -0.719 1.00 0.00 N ATOM 9 CA SER A 2 31.987 17.628 -1.404 1.00 0.00 C ATOM 10 C SER A 2 31.389 16.917 -2.614 1.00 0.00 C ATOM 11 O SER A 2 30.419 16.169 -2.492 1.00 0.00 O ATOM 12 CB SER A 2 32.595 16.603 -0.444 1.00 0.00 C ATOM 13 OG SER A 2 33.468 15.721 -1.127 1.00 0.00 O ATOM 0 H SER A 2 30.014 18.161 -0.934 1.00 0.00 H new ATOM 0 HA SER A 2 32.772 18.300 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.140 17.119 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.800 16.033 0.036 1.00 0.00 H new ATOM 0 HG SER A 2 33.845 15.077 -0.492 1.00 0.00 H new ATOM 19 N SER A 3 31.977 17.156 -3.782 1.00 0.00 N ATOM 20 CA SER A 3 31.501 16.542 -5.017 1.00 0.00 C ATOM 21 C SER A 3 32.631 15.801 -5.725 1.00 0.00 C ATOM 22 O SER A 3 33.808 16.063 -5.482 1.00 0.00 O ATOM 23 CB SER A 3 30.912 17.605 -5.946 1.00 0.00 C ATOM 24 OG SER A 3 29.924 17.049 -6.795 1.00 0.00 O ATOM 0 H SER A 3 32.783 17.770 -3.899 1.00 0.00 H new ATOM 0 HA SER A 3 30.723 15.823 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.476 18.409 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.706 18.047 -6.548 1.00 0.00 H new ATOM 0 HG SER A 3 29.562 17.749 -7.378 1.00 0.00 H new ATOM 30 N GLY A 4 32.263 14.873 -6.603 1.00 0.00 N ATOM 31 CA GLY A 4 33.256 14.107 -7.333 1.00 0.00 C ATOM 32 C GLY A 4 32.826 13.808 -8.756 1.00 0.00 C ATOM 33 O GLY A 4 31.675 13.446 -9.001 1.00 0.00 O ATOM 0 H GLY A 4 31.295 14.638 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.196 14.658 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.445 13.170 -6.809 1.00 0.00 H new ATOM 37 N SER A 5 33.752 13.962 -9.697 1.00 0.00 N ATOM 38 CA SER A 5 33.461 13.711 -11.104 1.00 0.00 C ATOM 39 C SER A 5 32.714 12.392 -11.277 1.00 0.00 C ATOM 40 O SER A 5 33.229 11.326 -10.943 1.00 0.00 O ATOM 41 CB SER A 5 34.756 13.688 -11.918 1.00 0.00 C ATOM 42 OG SER A 5 35.169 15.000 -12.258 1.00 0.00 O ATOM 0 H SER A 5 34.710 14.259 -9.511 1.00 0.00 H new ATOM 0 HA SER A 5 32.826 14.518 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 5 35.540 13.194 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.608 13.103 -12.826 1.00 0.00 H new ATOM 0 HG SER A 5 36.000 14.957 -12.776 1.00 0.00 H new ATOM 48 N SER A 6 31.495 12.475 -11.802 1.00 0.00 N ATOM 49 CA SER A 6 30.674 11.289 -12.017 1.00 0.00 C ATOM 50 C SER A 6 29.743 11.482 -13.210 1.00 0.00 C ATOM 51 O SER A 6 29.210 12.570 -13.426 1.00 0.00 O ATOM 52 CB SER A 6 29.857 10.975 -10.763 1.00 0.00 C ATOM 53 OG SER A 6 28.987 12.046 -10.439 1.00 0.00 O ATOM 0 H SER A 6 31.055 13.350 -12.086 1.00 0.00 H new ATOM 0 HA SER A 6 31.338 10.451 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.276 10.066 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.529 10.782 -9.926 1.00 0.00 H new ATOM 0 HG SER A 6 28.475 11.820 -9.635 1.00 0.00 H new ATOM 59 N GLY A 7 29.551 10.416 -13.982 1.00 0.00 N ATOM 60 CA GLY A 7 28.684 10.489 -15.143 1.00 0.00 C ATOM 61 C GLY A 7 28.183 9.126 -15.579 1.00 0.00 C ATOM 62 O GLY A 7 28.910 8.364 -16.215 1.00 0.00 O ATOM 0 H GLY A 7 29.980 9.504 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.832 11.130 -14.917 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.224 10.955 -15.967 1.00 0.00 H new ATOM 66 N GLY A 8 26.937 8.816 -15.232 1.00 0.00 N ATOM 67 CA GLY A 8 26.362 7.535 -15.598 1.00 0.00 C ATOM 68 C GLY A 8 25.169 7.168 -14.738 1.00 0.00 C ATOM 69 O GLY A 8 24.523 8.027 -14.138 1.00 0.00 O ATOM 0 H GLY A 8 26.316 9.429 -14.704 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.057 7.563 -16.644 1.00 0.00 H new ATOM 0 HA3 GLY A 8 27.123 6.760 -15.508 1.00 0.00 H new ATOM 73 N PRO A 9 24.861 5.865 -14.672 1.00 0.00 N ATOM 74 CA PRO A 9 23.734 5.357 -13.883 1.00 0.00 C ATOM 75 C PRO A 9 23.978 5.475 -12.383 1.00 0.00 C ATOM 76 O PRO A 9 24.868 4.825 -11.835 1.00 0.00 O ATOM 77 CB PRO A 9 23.647 3.885 -14.296 1.00 0.00 C ATOM 78 CG PRO A 9 25.024 3.536 -14.746 1.00 0.00 C ATOM 79 CD PRO A 9 25.588 4.786 -15.363 1.00 0.00 C ATOM 0 HA PRO A 9 22.820 5.921 -14.068 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.332 3.258 -13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.921 3.740 -15.096 1.00 0.00 H new ATOM 0 HG2 PRO A 9 25.636 3.204 -13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 9 25.003 2.720 -15.468 1.00 0.00 H new ATOM 0 HD2 PRO A 9 26.664 4.862 -15.206 1.00 0.00 H new ATOM 0 HD3 PRO A 9 25.420 4.814 -16.440 1.00 0.00 H new ATOM 87 N SER A 10 23.180 6.309 -11.723 1.00 0.00 N ATOM 88 CA SER A 10 23.312 6.516 -10.285 1.00 0.00 C ATOM 89 C SER A 10 21.941 6.579 -9.618 1.00 0.00 C ATOM 90 O SER A 10 21.099 7.400 -9.982 1.00 0.00 O ATOM 91 CB SER A 10 24.089 7.802 -10.002 1.00 0.00 C ATOM 92 OG SER A 10 25.441 7.681 -10.409 1.00 0.00 O ATOM 0 H SER A 10 22.436 6.852 -12.161 1.00 0.00 H new ATOM 0 HA SER A 10 23.861 5.671 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.622 8.636 -10.526 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.046 8.030 -8.937 1.00 0.00 H new ATOM 0 HG SER A 10 25.916 8.517 -10.219 1.00 0.00 H new ATOM 98 N ARG A 11 21.725 5.705 -8.640 1.00 0.00 N ATOM 99 CA ARG A 11 20.457 5.660 -7.922 1.00 0.00 C ATOM 100 C ARG A 11 20.022 7.059 -7.497 1.00 0.00 C ATOM 101 O ARG A 11 20.445 7.561 -6.456 1.00 0.00 O ATOM 102 CB ARG A 11 20.574 4.755 -6.694 1.00 0.00 C ATOM 103 CG ARG A 11 20.916 3.313 -7.030 1.00 0.00 C ATOM 104 CD ARG A 11 21.443 2.568 -5.814 1.00 0.00 C ATOM 105 NE ARG A 11 22.850 2.865 -5.556 1.00 0.00 N ATOM 106 CZ ARG A 11 23.581 2.231 -4.646 1.00 0.00 C ATOM 107 NH1 ARG A 11 23.041 1.268 -3.911 1.00 0.00 N ATOM 108 NH2 ARG A 11 24.854 2.559 -4.470 1.00 0.00 N ATOM 0 H ARG A 11 22.412 5.019 -8.327 1.00 0.00 H new ATOM 0 HA ARG A 11 19.702 5.253 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 11 21.340 5.156 -6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.632 4.778 -6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 11 20.029 2.807 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 11 21.663 3.290 -7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.850 2.836 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.321 1.495 -5.965 1.00 0.00 H new ATOM 0 HE ARG A 11 23.296 3.600 -6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.062 1.013 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 11 23.604 0.783 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.273 3.299 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 11 25.414 2.071 -3.771 1.00 0.00 H new ATOM 122 N MET A 12 19.177 7.683 -8.311 1.00 0.00 N ATOM 123 CA MET A 12 18.685 9.025 -8.018 1.00 0.00 C ATOM 124 C MET A 12 18.054 9.082 -6.631 1.00 0.00 C ATOM 125 O MET A 12 16.918 8.648 -6.438 1.00 0.00 O ATOM 126 CB MET A 12 17.666 9.459 -9.073 1.00 0.00 C ATOM 127 CG MET A 12 18.300 9.987 -10.350 1.00 0.00 C ATOM 128 SD MET A 12 17.103 10.769 -11.448 1.00 0.00 S ATOM 129 CE MET A 12 15.919 9.442 -11.658 1.00 0.00 C ATOM 0 H MET A 12 18.819 7.282 -9.178 1.00 0.00 H new ATOM 0 HA MET A 12 19.534 9.709 -8.040 1.00 0.00 H new ATOM 0 HB2 MET A 12 17.026 8.611 -9.318 1.00 0.00 H new ATOM 0 HB3 MET A 12 17.024 10.231 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 12 19.077 10.707 -10.094 1.00 0.00 H new ATOM 0 HG3 MET A 12 18.787 9.166 -10.876 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.505 9.480 -12.666 1.00 0.00 H new ATOM 0 HE2 MET A 12 16.416 8.484 -11.506 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.115 9.553 -10.931 1.00 0.00 H new ATOM 139 N ARG A 13 18.797 9.619 -5.669 1.00 0.00 N ATOM 140 CA ARG A 13 18.310 9.730 -4.299 1.00 0.00 C ATOM 141 C ARG A 13 17.786 11.136 -4.022 1.00 0.00 C ATOM 142 O ARG A 13 18.557 12.050 -3.726 1.00 0.00 O ATOM 143 CB ARG A 13 19.424 9.385 -3.309 1.00 0.00 C ATOM 144 CG ARG A 13 19.769 7.905 -3.273 1.00 0.00 C ATOM 145 CD ARG A 13 21.130 7.666 -2.637 1.00 0.00 C ATOM 146 NE ARG A 13 21.560 6.277 -2.772 1.00 0.00 N ATOM 147 CZ ARG A 13 22.697 5.808 -2.269 1.00 0.00 C ATOM 148 NH1 ARG A 13 23.512 6.612 -1.601 1.00 0.00 N ATOM 149 NH2 ARG A 13 23.020 4.531 -2.434 1.00 0.00 N ATOM 0 H ARG A 13 19.739 9.984 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 13 17.490 9.023 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 13 20.318 9.952 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.123 9.704 -2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.005 7.366 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.764 7.504 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.867 8.321 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.088 7.932 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 13 20.955 5.632 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 13 23.267 7.594 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.384 6.249 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.395 3.909 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.893 4.172 -2.048 1.00 0.00 H new ATOM 163 N HIS A 14 16.471 11.302 -4.119 1.00 0.00 N ATOM 164 CA HIS A 14 15.844 12.597 -3.879 1.00 0.00 C ATOM 165 C HIS A 14 14.594 12.444 -3.017 1.00 0.00 C ATOM 166 O HIS A 14 14.259 11.341 -2.585 1.00 0.00 O ATOM 167 CB HIS A 14 15.484 13.267 -5.205 1.00 0.00 C ATOM 168 CG HIS A 14 16.509 13.063 -6.277 1.00 0.00 C ATOM 169 ND1 HIS A 14 17.852 13.232 -6.261 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 16.193 12.636 -7.550 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 18.318 12.906 -7.511 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 17.297 12.549 -8.270 1.00 0.00 N flip ATOM 0 H HIS A 14 15.819 10.556 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 14 16.558 13.225 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.526 12.878 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.352 14.336 -5.038 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.198 12.408 -7.903 1.00 0.00 H new ATOM 0 HE1 HIS A 14 19.351 12.936 -7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.352 12.256 -9.246 1.00 0.00 H new ATOM 180 N GLU A 15 13.910 13.557 -2.771 1.00 0.00 N ATOM 181 CA GLU A 15 12.699 13.545 -1.959 1.00 0.00 C ATOM 182 C GLU A 15 11.475 13.225 -2.813 1.00 0.00 C ATOM 183 O GLU A 15 10.531 14.011 -2.882 1.00 0.00 O ATOM 184 CB GLU A 15 12.511 14.895 -1.264 1.00 0.00 C ATOM 185 CG GLU A 15 13.497 15.142 -0.135 1.00 0.00 C ATOM 186 CD GLU A 15 13.731 16.617 0.124 1.00 0.00 C ATOM 187 OE1 GLU A 15 12.839 17.426 -0.206 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.806 16.963 0.657 1.00 0.00 O ATOM 0 H GLU A 15 14.174 14.478 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 15 12.807 12.767 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.610 15.691 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.497 14.952 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.126 14.672 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.447 14.664 -0.376 1.00 0.00 H new ATOM 195 N ARG A 16 11.500 12.064 -3.460 1.00 0.00 N ATOM 196 CA ARG A 16 10.395 11.640 -4.311 1.00 0.00 C ATOM 197 C ARG A 16 9.589 10.531 -3.642 1.00 0.00 C ATOM 198 O ARG A 16 9.333 9.486 -4.241 1.00 0.00 O ATOM 199 CB ARG A 16 10.920 11.158 -5.664 1.00 0.00 C ATOM 200 CG ARG A 16 11.806 9.927 -5.570 1.00 0.00 C ATOM 201 CD ARG A 16 13.279 10.302 -5.532 1.00 0.00 C ATOM 202 NE ARG A 16 14.144 9.147 -5.758 1.00 0.00 N ATOM 203 CZ ARG A 16 14.466 8.273 -4.811 1.00 0.00 C ATOM 204 NH1 ARG A 16 13.996 8.421 -3.580 1.00 0.00 N ATOM 205 NH2 ARG A 16 15.259 7.248 -5.095 1.00 0.00 N ATOM 0 H ARG A 16 12.273 11.401 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 16 9.741 12.498 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.074 10.937 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.482 11.965 -6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.550 9.361 -4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.617 9.276 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.480 11.059 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.515 10.748 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 16 14.522 9.004 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.386 9.208 -3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.245 7.748 -2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.622 7.131 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.506 6.577 -4.367 1.00 0.00 H new ATOM 219 N VAL A 17 9.192 10.764 -2.394 1.00 0.00 N ATOM 220 CA VAL A 17 8.415 9.785 -1.643 1.00 0.00 C ATOM 221 C VAL A 17 7.245 10.447 -0.924 1.00 0.00 C ATOM 222 O VAL A 17 7.300 11.630 -0.585 1.00 0.00 O ATOM 223 CB VAL A 17 9.288 9.049 -0.610 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.420 8.251 0.351 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.292 8.145 -1.310 1.00 0.00 C ATOM 0 H VAL A 17 9.396 11.622 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 17 8.033 9.063 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 17 9.841 9.790 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.054 7.738 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.744 8.926 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.839 7.517 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.901 7.632 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.760 7.409 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.935 8.745 -1.954 1.00 0.00 H new ATOM 235 N VAL A 18 6.187 9.677 -0.694 1.00 0.00 N ATOM 236 CA VAL A 18 5.003 10.188 -0.013 1.00 0.00 C ATOM 237 C VAL A 18 4.586 9.268 1.130 1.00 0.00 C ATOM 238 O VAL A 18 4.621 8.045 0.999 1.00 0.00 O ATOM 239 CB VAL A 18 3.820 10.347 -0.986 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.294 10.921 -2.313 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.118 9.014 -1.193 1.00 0.00 C ATOM 0 H VAL A 18 6.125 8.697 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 18 5.267 11.166 0.389 1.00 0.00 H new ATOM 0 HB VAL A 18 3.105 11.044 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.445 11.026 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.748 11.898 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.030 10.251 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.285 9.145 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.822 8.292 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.743 8.648 -0.237 1.00 0.00 H new ATOM 251 N ILE A 19 4.193 9.866 2.249 1.00 0.00 N ATOM 252 CA ILE A 19 3.768 9.100 3.415 1.00 0.00 C ATOM 253 C ILE A 19 2.251 9.132 3.570 1.00 0.00 C ATOM 254 O ILE A 19 1.595 10.092 3.164 1.00 0.00 O ATOM 255 CB ILE A 19 4.416 9.634 4.706 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.921 9.819 4.508 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.141 8.689 5.866 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.575 8.686 3.749 1.00 0.00 C ATOM 0 H ILE A 19 4.160 10.878 2.374 1.00 0.00 H new ATOM 0 HA ILE A 19 4.093 8.072 3.253 1.00 0.00 H new ATOM 0 HB ILE A 19 3.978 10.604 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.097 10.753 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.398 9.915 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.605 9.080 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.065 8.603 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.555 7.706 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.642 8.885 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.431 7.753 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.125 8.603 2.760 1.00 0.00 H new ATOM 270 N ILE A 20 1.700 8.076 4.160 1.00 0.00 N ATOM 271 CA ILE A 20 0.261 7.985 4.371 1.00 0.00 C ATOM 272 C ILE A 20 -0.058 7.524 5.789 1.00 0.00 C ATOM 273 O ILE A 20 0.655 6.699 6.362 1.00 0.00 O ATOM 274 CB ILE A 20 -0.395 7.017 3.369 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.195 7.218 1.972 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.903 7.217 3.348 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.464 8.335 1.193 1.00 0.00 C ATOM 0 H ILE A 20 2.228 7.272 4.500 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.145 8.985 4.216 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.189 5.995 3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.260 7.429 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.101 6.289 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.352 6.526 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.309 7.028 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.130 8.241 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.005 8.421 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.525 8.116 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.347 9.274 1.734 1.00 0.00 H new ATOM 289 N LYS A 21 -1.136 8.061 6.352 1.00 0.00 N ATOM 290 CA LYS A 21 -1.553 7.703 7.702 1.00 0.00 C ATOM 291 C LYS A 21 -3.013 7.260 7.721 1.00 0.00 C ATOM 292 O LYS A 21 -3.762 7.521 6.782 1.00 0.00 O ATOM 293 CB LYS A 21 -1.356 8.889 8.650 1.00 0.00 C ATOM 294 CG LYS A 21 -0.002 8.899 9.338 1.00 0.00 C ATOM 295 CD LYS A 21 1.118 9.212 8.360 1.00 0.00 C ATOM 296 CE LYS A 21 2.469 9.254 9.056 1.00 0.00 C ATOM 297 NZ LYS A 21 2.797 10.620 9.550 1.00 0.00 N ATOM 0 H LYS A 21 -1.737 8.746 5.893 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.935 6.871 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.476 9.816 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.139 8.872 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.005 9.639 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.179 7.929 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.136 8.458 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.925 10.171 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.468 8.556 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.244 8.922 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.726 10.606 10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.823 11.282 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.072 10.927 10.229 1.00 0.00 H new ATOM 311 N ASN A 22 -3.409 6.590 8.799 1.00 0.00 N ATOM 312 CA ASN A 22 -4.779 6.112 8.940 1.00 0.00 C ATOM 313 C ASN A 22 -5.234 5.383 7.679 1.00 0.00 C ATOM 314 O ASN A 22 -6.257 5.725 7.087 1.00 0.00 O ATOM 315 CB ASN A 22 -5.722 7.281 9.235 1.00 0.00 C ATOM 316 CG ASN A 22 -6.910 6.866 10.081 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.755 6.465 11.234 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.105 6.962 9.510 1.00 0.00 N ATOM 0 H ASN A 22 -2.801 6.366 9.587 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.808 5.411 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.171 8.068 9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.078 7.703 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.942 6.698 10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.186 7.300 8.551 1.00 0.00 H new ATOM 325 N MET A 23 -4.466 4.376 7.275 1.00 0.00 N ATOM 326 CA MET A 23 -4.791 3.598 6.085 1.00 0.00 C ATOM 327 C MET A 23 -4.864 2.110 6.413 1.00 0.00 C ATOM 328 O MET A 23 -5.470 1.331 5.676 1.00 0.00 O ATOM 329 CB MET A 23 -3.751 3.840 4.991 1.00 0.00 C ATOM 330 CG MET A 23 -2.322 3.583 5.442 1.00 0.00 C ATOM 331 SD MET A 23 -1.246 3.076 4.087 1.00 0.00 S ATOM 332 CE MET A 23 -2.173 1.699 3.416 1.00 0.00 C ATOM 0 H MET A 23 -3.615 4.080 7.754 1.00 0.00 H new ATOM 0 HA MET A 23 -5.768 3.922 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.975 3.198 4.139 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.834 4.870 4.644 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.921 4.488 5.900 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.321 2.810 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.484 0.912 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.850 1.311 4.177 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.750 2.034 2.554 1.00 0.00 H new ATOM 342 N PHE A 24 -4.244 1.721 7.522 1.00 0.00 N ATOM 343 CA PHE A 24 -4.237 0.326 7.946 1.00 0.00 C ATOM 344 C PHE A 24 -3.909 0.210 9.431 1.00 0.00 C ATOM 345 O PHE A 24 -3.602 1.204 10.090 1.00 0.00 O ATOM 346 CB PHE A 24 -3.225 -0.474 7.124 1.00 0.00 C ATOM 347 CG PHE A 24 -1.796 -0.136 7.439 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.192 -0.623 8.588 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.056 0.668 6.588 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.122 -0.313 8.881 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.259 0.982 6.875 1.00 0.00 C ATOM 352 CZ PHE A 24 0.849 0.489 8.023 1.00 0.00 C ATOM 0 H PHE A 24 -3.739 2.353 8.144 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.234 -0.083 7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.386 -1.538 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.407 -0.295 6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.755 -1.252 9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.512 1.055 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.580 -0.697 9.780 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.824 1.611 6.203 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.877 0.730 8.249 1.00 0.00 H new ATOM 362 N HIS A 25 -3.975 -1.011 9.953 1.00 0.00 N ATOM 363 CA HIS A 25 -3.685 -1.258 11.361 1.00 0.00 C ATOM 364 C HIS A 25 -3.118 -2.660 11.561 1.00 0.00 C ATOM 365 O HIS A 25 -3.553 -3.627 10.934 1.00 0.00 O ATOM 366 CB HIS A 25 -4.949 -1.081 12.202 1.00 0.00 C ATOM 367 CG HIS A 25 -4.676 -0.648 13.610 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.553 -1.533 14.659 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.500 0.586 14.138 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.315 -0.863 15.773 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.277 0.425 15.483 1.00 0.00 N ATOM 0 H HIS A 25 -4.227 -1.845 9.422 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.938 -0.534 11.685 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.594 -0.345 11.723 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.498 -2.022 12.220 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.530 1.523 13.601 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.175 -1.295 16.753 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.109 1.178 16.150 1.00 0.00 H new ATOM 379 N PRO A 26 -2.124 -2.775 12.453 1.00 0.00 N ATOM 380 CA PRO A 26 -1.476 -4.055 12.756 1.00 0.00 C ATOM 381 C PRO A 26 -2.397 -5.006 13.512 1.00 0.00 C ATOM 382 O PRO A 26 -2.002 -6.116 13.868 1.00 0.00 O ATOM 383 CB PRO A 26 -0.287 -3.652 13.632 1.00 0.00 C ATOM 384 CG PRO A 26 -0.695 -2.361 14.254 1.00 0.00 C ATOM 385 CD PRO A 26 -1.556 -1.665 13.237 1.00 0.00 C ATOM 0 HA PRO A 26 -1.193 -4.593 11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.079 -4.408 14.389 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.620 -3.537 13.039 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.244 -2.530 15.180 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.176 -1.757 14.506 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.335 -1.068 13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.973 -0.989 12.612 1.00 0.00 H new ATOM 393 N MET A 27 -3.627 -4.564 13.755 1.00 0.00 N ATOM 394 CA MET A 27 -4.605 -5.378 14.468 1.00 0.00 C ATOM 395 C MET A 27 -5.490 -6.145 13.490 1.00 0.00 C ATOM 396 O MET A 27 -6.120 -7.138 13.857 1.00 0.00 O ATOM 397 CB MET A 27 -5.469 -4.499 15.374 1.00 0.00 C ATOM 398 CG MET A 27 -6.368 -5.289 16.310 1.00 0.00 C ATOM 399 SD MET A 27 -5.578 -5.654 17.889 1.00 0.00 S ATOM 400 CE MET A 27 -4.372 -6.880 17.389 1.00 0.00 C ATOM 0 H MET A 27 -3.970 -3.647 13.469 1.00 0.00 H new ATOM 0 HA MET A 27 -4.063 -6.098 15.082 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.820 -3.853 15.966 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.086 -3.849 14.754 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.284 -4.726 16.488 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.656 -6.223 15.828 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.096 -7.491 18.249 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.800 -7.516 16.614 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.485 -6.380 16.999 1.00 0.00 H new ATOM 410 N ASP A 28 -5.532 -5.680 12.247 1.00 0.00 N ATOM 411 CA ASP A 28 -6.340 -6.323 11.217 1.00 0.00 C ATOM 412 C ASP A 28 -5.584 -7.485 10.581 1.00 0.00 C ATOM 413 O ASP A 28 -6.174 -8.510 10.238 1.00 0.00 O ATOM 414 CB ASP A 28 -6.737 -5.309 10.143 1.00 0.00 C ATOM 415 CG ASP A 28 -7.974 -4.519 10.523 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.881 -3.672 11.437 1.00 0.00 O ATOM 417 OD2 ASP A 28 -9.036 -4.746 9.906 1.00 0.00 O ATOM 0 H ASP A 28 -5.016 -4.860 11.928 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.242 -6.713 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.908 -4.622 9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.917 -5.831 9.203 1.00 0.00 H new ATOM 422 N PHE A 29 -4.274 -7.318 10.425 1.00 0.00 N ATOM 423 CA PHE A 29 -3.438 -8.353 9.829 1.00 0.00 C ATOM 424 C PHE A 29 -3.393 -9.595 10.714 1.00 0.00 C ATOM 425 O PHE A 29 -3.183 -10.707 10.231 1.00 0.00 O ATOM 426 CB PHE A 29 -2.020 -7.824 9.601 1.00 0.00 C ATOM 427 CG PHE A 29 -1.981 -6.403 9.117 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.854 -5.968 8.132 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.072 -5.501 9.647 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.819 -4.661 7.684 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.034 -4.192 9.203 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.909 -3.772 8.221 1.00 0.00 C ATOM 0 H PHE A 29 -3.770 -6.476 10.703 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.875 -8.629 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.459 -7.898 10.533 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.516 -8.461 8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.570 -6.658 7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.385 -5.824 10.416 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.503 -4.335 6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.321 -3.499 9.624 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.882 -2.750 7.873 1.00 0.00 H new ATOM 442 N GLU A 30 -3.592 -9.395 12.013 1.00 0.00 N ATOM 443 CA GLU A 30 -3.573 -10.498 12.967 1.00 0.00 C ATOM 444 C GLU A 30 -4.779 -11.412 12.766 1.00 0.00 C ATOM 445 O GLU A 30 -4.763 -12.576 13.167 1.00 0.00 O ATOM 446 CB GLU A 30 -3.558 -9.963 14.400 1.00 0.00 C ATOM 447 CG GLU A 30 -2.284 -9.216 14.758 1.00 0.00 C ATOM 448 CD GLU A 30 -1.932 -9.335 16.228 1.00 0.00 C ATOM 449 OE1 GLU A 30 -2.117 -10.431 16.796 1.00 0.00 O ATOM 450 OE2 GLU A 30 -1.470 -8.330 16.809 1.00 0.00 O ATOM 0 H GLU A 30 -3.768 -8.480 12.429 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.666 -11.078 12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.410 -9.298 14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.687 -10.796 15.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.460 -9.603 14.158 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.400 -8.163 14.500 1.00 0.00 H new ATOM 457 N ASP A 31 -5.823 -10.875 12.144 1.00 0.00 N ATOM 458 CA ASP A 31 -7.037 -11.641 11.888 1.00 0.00 C ATOM 459 C ASP A 31 -7.008 -12.258 10.493 1.00 0.00 C ATOM 460 O ASP A 31 -7.620 -13.298 10.251 1.00 0.00 O ATOM 461 CB ASP A 31 -8.270 -10.748 12.039 1.00 0.00 C ATOM 462 CG ASP A 31 -9.560 -11.543 12.083 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.847 -12.262 11.103 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.282 -11.447 13.098 1.00 0.00 O ATOM 0 H ASP A 31 -5.853 -9.912 11.808 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.089 -12.447 12.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.179 -10.159 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.309 -10.044 11.208 1.00 0.00 H new ATOM 469 N ASP A 32 -6.294 -11.609 9.580 1.00 0.00 N ATOM 470 CA ASP A 32 -6.185 -12.093 8.209 1.00 0.00 C ATOM 471 C ASP A 32 -5.178 -11.264 7.418 1.00 0.00 C ATOM 472 O ASP A 32 -5.097 -10.043 7.556 1.00 0.00 O ATOM 473 CB ASP A 32 -7.550 -12.053 7.521 1.00 0.00 C ATOM 474 CG ASP A 32 -8.318 -13.350 7.681 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.735 -14.422 7.415 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.502 -13.293 8.074 1.00 0.00 O ATOM 0 H ASP A 32 -5.782 -10.746 9.765 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.833 -13.124 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.138 -11.233 7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.413 -11.844 6.460 1.00 0.00 H new ATOM 481 N PRO A 33 -4.390 -11.941 6.570 1.00 0.00 N ATOM 482 CA PRO A 33 -3.373 -11.286 5.741 1.00 0.00 C ATOM 483 C PRO A 33 -3.987 -10.428 4.640 1.00 0.00 C ATOM 484 O PRO A 33 -3.473 -9.358 4.314 1.00 0.00 O ATOM 485 CB PRO A 33 -2.600 -12.461 5.135 1.00 0.00 C ATOM 486 CG PRO A 33 -3.568 -13.593 5.139 1.00 0.00 C ATOM 487 CD PRO A 33 -4.431 -13.397 6.354 1.00 0.00 C ATOM 0 HA PRO A 33 -2.752 -10.603 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.261 -12.233 4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.713 -12.697 5.723 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.169 -13.595 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.048 -14.550 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.448 -13.750 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.043 -13.942 7.215 1.00 0.00 H new ATOM 495 N LEU A 34 -5.089 -10.904 4.071 1.00 0.00 N ATOM 496 CA LEU A 34 -5.775 -10.180 3.006 1.00 0.00 C ATOM 497 C LEU A 34 -5.760 -8.678 3.273 1.00 0.00 C ATOM 498 O LEU A 34 -5.424 -7.884 2.393 1.00 0.00 O ATOM 499 CB LEU A 34 -7.217 -10.672 2.875 1.00 0.00 C ATOM 500 CG LEU A 34 -7.410 -11.994 2.132 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.416 -11.767 0.629 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.323 -12.986 2.519 1.00 0.00 C ATOM 0 H LEU A 34 -5.527 -11.788 4.329 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.247 -10.370 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.637 -10.776 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.797 -9.903 2.364 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.375 -12.412 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.554 -12.720 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.231 -11.092 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.467 -11.326 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.476 -13.921 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.347 -12.575 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.367 -13.173 3.592 1.00 0.00 H new ATOM 514 N VAL A 35 -6.124 -8.295 4.492 1.00 0.00 N ATOM 515 CA VAL A 35 -6.149 -6.888 4.876 1.00 0.00 C ATOM 516 C VAL A 35 -4.911 -6.158 4.368 1.00 0.00 C ATOM 517 O VAL A 35 -5.015 -5.175 3.632 1.00 0.00 O ATOM 518 CB VAL A 35 -6.236 -6.725 6.405 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.251 -5.252 6.785 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.467 -7.436 6.947 1.00 0.00 C ATOM 0 H VAL A 35 -6.406 -8.939 5.231 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.038 -6.451 4.420 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.354 -7.182 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.313 -5.157 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.337 -4.775 6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.114 -4.767 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.513 -7.311 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.362 -7.010 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.409 -8.498 6.707 1.00 0.00 H new ATOM 530 N LEU A 36 -3.740 -6.643 4.764 1.00 0.00 N ATOM 531 CA LEU A 36 -2.480 -6.037 4.348 1.00 0.00 C ATOM 532 C LEU A 36 -2.283 -6.170 2.842 1.00 0.00 C ATOM 533 O LEU A 36 -1.742 -5.274 2.195 1.00 0.00 O ATOM 534 CB LEU A 36 -1.310 -6.689 5.087 1.00 0.00 C ATOM 535 CG LEU A 36 -0.006 -5.890 5.115 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.137 -4.687 6.036 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.152 -6.776 5.553 1.00 0.00 C ATOM 0 H LEU A 36 -3.636 -7.455 5.373 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.515 -4.977 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.617 -6.881 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.110 -7.657 4.628 1.00 0.00 H new ATOM 0 HG LEU A 36 0.199 -5.529 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.800 -4.131 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.940 -4.041 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.366 -5.026 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.072 -6.192 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.954 -7.166 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.260 -7.606 4.854 1.00 0.00 H new ATOM 549 N ASN A 37 -2.726 -7.294 2.289 1.00 0.00 N ATOM 550 CA ASN A 37 -2.600 -7.544 0.857 1.00 0.00 C ATOM 551 C ASN A 37 -3.338 -6.478 0.052 1.00 0.00 C ATOM 552 O ASN A 37 -2.726 -5.725 -0.705 1.00 0.00 O ATOM 553 CB ASN A 37 -3.146 -8.930 0.510 1.00 0.00 C ATOM 554 CG ASN A 37 -2.111 -10.023 0.699 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.011 -9.953 0.150 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.460 -11.040 1.478 1.00 0.00 N ATOM 0 H ASN A 37 -3.176 -8.047 2.810 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.542 -7.503 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.013 -9.143 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.490 -8.934 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.805 -11.805 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.383 -11.056 1.913 1.00 0.00 H new ATOM 563 N GLU A 38 -4.655 -6.422 0.222 1.00 0.00 N ATOM 564 CA GLU A 38 -5.476 -5.449 -0.489 1.00 0.00 C ATOM 565 C GLU A 38 -4.972 -4.030 -0.243 1.00 0.00 C ATOM 566 O GLU A 38 -4.932 -3.207 -1.158 1.00 0.00 O ATOM 567 CB GLU A 38 -6.938 -5.566 -0.054 1.00 0.00 C ATOM 568 CG GLU A 38 -7.111 -6.093 1.361 1.00 0.00 C ATOM 569 CD GLU A 38 -8.339 -5.527 2.048 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.524 -4.292 2.011 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.115 -6.319 2.622 1.00 0.00 O ATOM 0 H GLU A 38 -5.176 -7.039 0.845 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.405 -5.662 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.410 -4.586 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.462 -6.226 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.183 -7.180 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.226 -5.847 1.947 1.00 0.00 H new ATOM 578 N ILE A 39 -4.591 -3.751 0.999 1.00 0.00 N ATOM 579 CA ILE A 39 -4.090 -2.432 1.366 1.00 0.00 C ATOM 580 C ILE A 39 -2.821 -2.091 0.593 1.00 0.00 C ATOM 581 O ILE A 39 -2.745 -1.059 -0.073 1.00 0.00 O ATOM 582 CB ILE A 39 -3.800 -2.340 2.876 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.107 -2.337 3.670 1.00 0.00 C ATOM 584 CG2 ILE A 39 -2.984 -1.093 3.183 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.932 -2.713 5.124 1.00 0.00 C ATOM 0 H ILE A 39 -4.620 -4.420 1.768 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.871 -1.716 1.111 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.219 -3.213 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.556 -1.346 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.807 -3.032 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.787 -1.042 4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.039 -1.134 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.541 -0.209 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.900 -2.690 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.512 -3.717 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.258 -2.004 5.605 1.00 0.00 H new ATOM 597 N ARG A 40 -1.825 -2.967 0.686 1.00 0.00 N ATOM 598 CA ARG A 40 -0.558 -2.760 -0.005 1.00 0.00 C ATOM 599 C ARG A 40 -0.784 -2.518 -1.494 1.00 0.00 C ATOM 600 O ARG A 40 -0.399 -1.479 -2.029 1.00 0.00 O ATOM 601 CB ARG A 40 0.358 -3.969 0.193 1.00 0.00 C ATOM 602 CG ARG A 40 1.822 -3.677 -0.098 1.00 0.00 C ATOM 603 CD ARG A 40 2.603 -4.956 -0.357 1.00 0.00 C ATOM 604 NE ARG A 40 3.009 -5.610 0.884 1.00 0.00 N ATOM 605 CZ ARG A 40 3.884 -6.608 0.938 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.443 -7.063 -0.175 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.202 -7.151 2.105 1.00 0.00 N ATOM 0 H ARG A 40 -1.871 -3.827 1.233 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.081 -1.877 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.264 -4.322 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.022 -4.779 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.898 -3.021 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.263 -3.144 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.992 -5.641 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.487 -4.727 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 40 2.598 -5.282 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.201 -6.647 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.115 -7.829 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.775 -6.802 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.874 -7.917 2.145 1.00 0.00 H new ATOM 621 N GLU A 41 -1.411 -3.485 -2.157 1.00 0.00 N ATOM 622 CA GLU A 41 -1.687 -3.377 -3.585 1.00 0.00 C ATOM 623 C GLU A 41 -2.463 -2.100 -3.894 1.00 0.00 C ATOM 624 O GLU A 41 -2.265 -1.477 -4.937 1.00 0.00 O ATOM 625 CB GLU A 41 -2.475 -4.596 -4.069 1.00 0.00 C ATOM 626 CG GLU A 41 -3.981 -4.402 -4.029 1.00 0.00 C ATOM 627 CD GLU A 41 -4.740 -5.713 -4.097 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.406 -6.633 -3.323 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.669 -5.817 -4.926 1.00 0.00 O ATOM 0 H GLU A 41 -1.737 -4.351 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.733 -3.338 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.174 -4.830 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.211 -5.456 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.252 -3.877 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.284 -3.767 -4.862 1.00 0.00 H new ATOM 636 N ASP A 42 -3.348 -1.717 -2.980 1.00 0.00 N ATOM 637 CA ASP A 42 -4.155 -0.515 -3.153 1.00 0.00 C ATOM 638 C ASP A 42 -3.270 0.724 -3.254 1.00 0.00 C ATOM 639 O ASP A 42 -3.488 1.588 -4.104 1.00 0.00 O ATOM 640 CB ASP A 42 -5.137 -0.362 -1.990 1.00 0.00 C ATOM 641 CG ASP A 42 -6.461 -1.051 -2.256 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.988 -0.909 -3.379 1.00 0.00 O ATOM 643 OD2 ASP A 42 -6.971 -1.731 -1.341 1.00 0.00 O ATOM 0 H ASP A 42 -3.525 -2.222 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.717 -0.615 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.691 -0.775 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.313 0.697 -1.804 1.00 0.00 H new ATOM 648 N LEU A 43 -2.272 0.804 -2.381 1.00 0.00 N ATOM 649 CA LEU A 43 -1.354 1.937 -2.371 1.00 0.00 C ATOM 650 C LEU A 43 -0.487 1.947 -3.625 1.00 0.00 C ATOM 651 O LEU A 43 0.000 2.996 -4.048 1.00 0.00 O ATOM 652 CB LEU A 43 -0.468 1.890 -1.125 1.00 0.00 C ATOM 653 CG LEU A 43 -0.968 2.680 0.085 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.015 2.567 1.240 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.191 4.139 -0.286 1.00 0.00 C ATOM 0 H LEU A 43 -2.078 0.098 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.946 2.852 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.347 0.848 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.521 2.262 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.921 2.256 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.358 3.136 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.125 1.520 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.983 2.964 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.547 4.686 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.253 4.575 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.933 4.203 -1.081 1.00 0.00 H new ATOM 667 N ARG A 44 -0.299 0.772 -4.218 1.00 0.00 N ATOM 668 CA ARG A 44 0.509 0.646 -5.425 1.00 0.00 C ATOM 669 C ARG A 44 -0.320 0.954 -6.668 1.00 0.00 C ATOM 670 O ARG A 44 0.207 1.425 -7.677 1.00 0.00 O ATOM 671 CB ARG A 44 1.095 -0.764 -5.526 1.00 0.00 C ATOM 672 CG ARG A 44 2.392 -0.828 -6.316 1.00 0.00 C ATOM 673 CD ARG A 44 3.092 -2.166 -6.130 1.00 0.00 C ATOM 674 NE ARG A 44 3.913 -2.519 -7.284 1.00 0.00 N ATOM 675 CZ ARG A 44 4.650 -3.623 -7.352 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.667 -4.476 -6.337 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.371 -3.875 -8.437 1.00 0.00 N ATOM 0 H ARG A 44 -0.695 -0.106 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 44 1.324 1.368 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.272 -1.148 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.362 -1.421 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.183 -0.669 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.054 -0.023 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.718 -2.127 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.348 -2.944 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 44 3.922 -1.884 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.114 -4.286 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.233 -5.323 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.360 -3.221 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.936 -4.722 -8.488 1.00 0.00 H new ATOM 691 N VAL A 45 -1.619 0.686 -6.589 1.00 0.00 N ATOM 692 CA VAL A 45 -2.521 0.935 -7.707 1.00 0.00 C ATOM 693 C VAL A 45 -3.073 2.356 -7.662 1.00 0.00 C ATOM 694 O VAL A 45 -3.446 2.920 -8.690 1.00 0.00 O ATOM 695 CB VAL A 45 -3.696 -0.060 -7.713 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.209 -1.464 -7.389 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.772 0.380 -6.731 1.00 0.00 C ATOM 0 H VAL A 45 -2.071 0.296 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.938 0.803 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.132 -0.074 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.053 -2.153 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.478 -1.777 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.746 -1.470 -6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.595 -0.335 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.351 0.425 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.142 1.366 -7.014 1.00 0.00 H new ATOM 707 N GLU A 46 -3.121 2.928 -6.463 1.00 0.00 N ATOM 708 CA GLU A 46 -3.628 4.284 -6.284 1.00 0.00 C ATOM 709 C GLU A 46 -2.594 5.314 -6.728 1.00 0.00 C ATOM 710 O GLU A 46 -2.921 6.277 -7.423 1.00 0.00 O ATOM 711 CB GLU A 46 -4.005 4.522 -4.820 1.00 0.00 C ATOM 712 CG GLU A 46 -2.857 5.043 -3.973 1.00 0.00 C ATOM 713 CD GLU A 46 -3.304 5.486 -2.593 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.524 5.457 -2.328 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.435 5.863 -1.780 1.00 0.00 O ATOM 0 H GLU A 46 -2.815 2.474 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.517 4.397 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.829 5.234 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.368 3.588 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.101 4.264 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.385 5.882 -4.484 1.00 0.00 H new ATOM 722 N CYS A 47 -1.347 5.105 -6.322 1.00 0.00 N ATOM 723 CA CYS A 47 -0.264 6.016 -6.677 1.00 0.00 C ATOM 724 C CYS A 47 0.109 5.870 -8.149 1.00 0.00 C ATOM 725 O CYS A 47 0.782 6.730 -8.717 1.00 0.00 O ATOM 726 CB CYS A 47 0.960 5.752 -5.799 1.00 0.00 C ATOM 727 SG CYS A 47 0.677 6.029 -4.035 1.00 0.00 S ATOM 0 H CYS A 47 -1.060 4.313 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.610 7.036 -6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.284 4.722 -5.947 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.777 6.394 -6.130 1.00 0.00 H new ATOM 0 HG CYS A 47 0.315 4.914 -3.473 1.00 0.00 H new ATOM 733 N SER A 48 -0.331 4.775 -8.760 1.00 0.00 N ATOM 734 CA SER A 48 -0.039 4.514 -10.164 1.00 0.00 C ATOM 735 C SER A 48 -0.961 5.323 -11.071 1.00 0.00 C ATOM 736 O SER A 48 -0.578 5.716 -12.174 1.00 0.00 O ATOM 737 CB SER A 48 -0.187 3.022 -10.469 1.00 0.00 C ATOM 738 OG SER A 48 0.131 2.743 -11.821 1.00 0.00 O ATOM 0 H SER A 48 -0.891 4.054 -8.305 1.00 0.00 H new ATOM 0 HA SER A 48 0.990 4.817 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.466 2.447 -9.813 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.209 2.705 -10.260 1.00 0.00 H new ATOM 0 HG SER A 48 0.649 3.486 -12.195 1.00 0.00 H new ATOM 744 N LYS A 49 -2.178 5.570 -10.598 1.00 0.00 N ATOM 745 CA LYS A 49 -3.156 6.334 -11.363 1.00 0.00 C ATOM 746 C LYS A 49 -2.490 7.500 -12.087 1.00 0.00 C ATOM 747 O LYS A 49 -2.845 7.825 -13.220 1.00 0.00 O ATOM 748 CB LYS A 49 -4.261 6.855 -10.442 1.00 0.00 C ATOM 749 CG LYS A 49 -4.960 5.762 -9.652 1.00 0.00 C ATOM 750 CD LYS A 49 -5.586 4.725 -10.569 1.00 0.00 C ATOM 751 CE LYS A 49 -6.186 3.572 -9.778 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.354 2.969 -10.478 1.00 0.00 N ATOM 0 H LYS A 49 -2.511 5.252 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.596 5.671 -12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.833 7.577 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.000 7.388 -11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.244 5.277 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.731 6.204 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.361 5.194 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.831 4.343 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.426 2.808 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.495 3.928 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.735 2.187 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.090 3.691 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.054 2.607 -11.405 1.00 0.00 H new ATOM 766 N PHE A 50 -1.523 8.126 -11.425 1.00 0.00 N ATOM 767 CA PHE A 50 -0.807 9.256 -12.006 1.00 0.00 C ATOM 768 C PHE A 50 0.337 8.777 -12.895 1.00 0.00 C ATOM 769 O PHE A 50 0.663 9.408 -13.899 1.00 0.00 O ATOM 770 CB PHE A 50 -0.263 10.165 -10.901 1.00 0.00 C ATOM 771 CG PHE A 50 -1.203 10.326 -9.741 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.310 11.154 -9.838 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.980 9.649 -8.552 1.00 0.00 C ATOM 774 CE1 PHE A 50 -3.177 11.305 -8.772 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.844 9.795 -7.483 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.943 10.625 -7.593 1.00 0.00 C ATOM 0 H PHE A 50 -1.217 7.870 -10.486 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.508 9.821 -12.620 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.682 9.759 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.047 11.147 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.498 11.688 -10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.122 9.000 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.036 11.954 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.660 9.261 -6.563 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.618 10.742 -6.758 1.00 0.00 H new ATOM 786 N GLY A 51 0.943 7.656 -12.516 1.00 0.00 N ATOM 787 CA GLY A 51 2.045 7.111 -13.288 1.00 0.00 C ATOM 788 C GLY A 51 2.371 5.681 -12.903 1.00 0.00 C ATOM 789 O GLY A 51 1.710 4.745 -13.353 1.00 0.00 O ATOM 0 H GLY A 51 0.691 7.116 -11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.796 7.151 -14.349 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.928 7.733 -13.144 1.00 0.00 H new ATOM 793 N GLN A 52 3.392 5.513 -12.070 1.00 0.00 N ATOM 794 CA GLN A 52 3.806 4.186 -11.628 1.00 0.00 C ATOM 795 C GLN A 52 4.327 4.228 -10.195 1.00 0.00 C ATOM 796 O GLN A 52 4.342 5.283 -9.560 1.00 0.00 O ATOM 797 CB GLN A 52 4.883 3.628 -12.559 1.00 0.00 C ATOM 798 CG GLN A 52 4.347 3.174 -13.907 1.00 0.00 C ATOM 799 CD GLN A 52 5.443 2.703 -14.843 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.074 1.673 -14.609 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.674 3.459 -15.910 1.00 0.00 N ATOM 0 H GLN A 52 3.948 6.278 -11.687 1.00 0.00 H new ATOM 0 HA GLN A 52 2.935 3.532 -11.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.644 4.391 -12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.373 2.786 -12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.632 2.366 -13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.805 3.996 -14.374 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.126 4.305 -16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.400 3.193 -16.576 1.00 0.00 H new ATOM 810 N ILE A 53 4.753 3.075 -9.692 1.00 0.00 N ATOM 811 CA ILE A 53 5.276 2.980 -8.334 1.00 0.00 C ATOM 812 C ILE A 53 6.717 2.481 -8.333 1.00 0.00 C ATOM 813 O ILE A 53 6.970 1.284 -8.462 1.00 0.00 O ATOM 814 CB ILE A 53 4.418 2.041 -7.465 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.951 2.113 -7.893 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.565 2.400 -5.994 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.350 3.495 -7.761 1.00 0.00 C ATOM 0 H ILE A 53 4.747 2.193 -10.204 1.00 0.00 H new ATOM 0 HA ILE A 53 5.242 3.984 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 53 4.768 1.018 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.867 1.787 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.371 1.414 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.953 1.728 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.610 2.302 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.238 3.428 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.309 3.471 -8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.402 3.816 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.906 4.195 -8.385 1.00 0.00 H new ATOM 829 N ARG A 54 7.658 3.408 -8.185 1.00 0.00 N ATOM 830 CA ARG A 54 9.074 3.062 -8.166 1.00 0.00 C ATOM 831 C ARG A 54 9.379 2.079 -7.040 1.00 0.00 C ATOM 832 O ARG A 54 10.237 1.207 -7.178 1.00 0.00 O ATOM 833 CB ARG A 54 9.926 4.322 -8.002 1.00 0.00 C ATOM 834 CG ARG A 54 10.095 5.115 -9.288 1.00 0.00 C ATOM 835 CD ARG A 54 11.023 4.405 -10.262 1.00 0.00 C ATOM 836 NE ARG A 54 12.418 4.792 -10.070 1.00 0.00 N ATOM 837 CZ ARG A 54 13.444 4.110 -10.565 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.233 3.013 -11.279 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.686 4.525 -10.347 1.00 0.00 N ATOM 0 H ARG A 54 7.465 4.404 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 54 9.319 2.587 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.470 4.963 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.910 4.039 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.122 5.265 -9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.494 6.103 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.925 3.327 -10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.720 4.635 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 54 12.615 5.632 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.280 2.691 -11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.023 2.491 -11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.853 5.369 -9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.473 4.000 -10.728 1.00 0.00 H new ATOM 853 N LYS A 55 8.671 2.226 -5.925 1.00 0.00 N ATOM 854 CA LYS A 55 8.864 1.352 -4.775 1.00 0.00 C ATOM 855 C LYS A 55 7.754 1.552 -3.747 1.00 0.00 C ATOM 856 O LYS A 55 7.387 2.683 -3.427 1.00 0.00 O ATOM 857 CB LYS A 55 10.225 1.618 -4.129 1.00 0.00 C ATOM 858 CG LYS A 55 10.446 0.850 -2.837 1.00 0.00 C ATOM 859 CD LYS A 55 11.097 -0.498 -3.095 1.00 0.00 C ATOM 860 CE LYS A 55 10.057 -1.590 -3.295 1.00 0.00 C ATOM 861 NZ LYS A 55 10.674 -2.867 -3.751 1.00 0.00 N ATOM 0 H LYS A 55 7.958 2.943 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 55 8.830 0.320 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.011 1.355 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.320 2.685 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.075 1.436 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.491 0.703 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.733 -0.433 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.743 -0.758 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.523 -1.758 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.321 -1.260 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.933 -3.586 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.162 -2.713 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.358 -3.195 -3.040 1.00 0.00 H new ATOM 875 N LEU A 56 7.224 0.448 -3.233 1.00 0.00 N ATOM 876 CA LEU A 56 6.157 0.501 -2.240 1.00 0.00 C ATOM 877 C LEU A 56 6.520 -0.318 -1.006 1.00 0.00 C ATOM 878 O LEU A 56 6.945 -1.469 -1.114 1.00 0.00 O ATOM 879 CB LEU A 56 4.848 -0.014 -2.841 1.00 0.00 C ATOM 880 CG LEU A 56 3.563 0.515 -2.203 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.143 1.824 -2.853 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.450 -0.517 -2.312 1.00 0.00 C ATOM 0 H LEU A 56 7.516 -0.496 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 56 6.027 1.540 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.834 0.238 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.843 -1.102 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 56 3.756 0.703 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.227 2.185 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.932 2.564 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.968 1.662 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.543 -0.124 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.259 -0.737 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.750 -1.431 -1.799 1.00 0.00 H new ATOM 894 N LEU A 57 6.348 0.282 0.167 1.00 0.00 N ATOM 895 CA LEU A 57 6.655 -0.392 1.424 1.00 0.00 C ATOM 896 C LEU A 57 5.599 -0.083 2.480 1.00 0.00 C ATOM 897 O LEU A 57 5.392 1.074 2.847 1.00 0.00 O ATOM 898 CB LEU A 57 8.036 0.030 1.928 1.00 0.00 C ATOM 899 CG LEU A 57 9.176 -0.052 0.912 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.258 0.966 1.240 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.757 -1.458 0.874 1.00 0.00 C ATOM 0 H LEU A 57 5.998 1.234 0.274 1.00 0.00 H new ATOM 0 HA LEU A 57 6.655 -1.466 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.971 1.057 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.294 -0.593 2.784 1.00 0.00 H new ATOM 0 HG LEU A 57 8.775 0.180 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.061 0.893 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.833 1.970 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.656 0.766 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.567 -1.497 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.142 -1.719 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.978 -2.166 0.590 1.00 0.00 H new ATOM 913 N LEU A 58 4.935 -1.125 2.968 1.00 0.00 N ATOM 914 CA LEU A 58 3.901 -0.966 3.984 1.00 0.00 C ATOM 915 C LEU A 58 4.455 -1.260 5.375 1.00 0.00 C ATOM 916 O LEU A 58 4.879 -2.379 5.662 1.00 0.00 O ATOM 917 CB LEU A 58 2.720 -1.892 3.688 1.00 0.00 C ATOM 918 CG LEU A 58 1.343 -1.381 4.116 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.244 -2.249 3.524 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.237 -1.344 5.634 1.00 0.00 C ATOM 0 H LEU A 58 5.094 -2.089 2.676 1.00 0.00 H new ATOM 0 HA LEU A 58 3.559 0.069 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.696 -2.086 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.900 -2.847 4.181 1.00 0.00 H new ATOM 0 HG LEU A 58 1.219 -0.366 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.728 -1.870 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.307 -2.225 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.364 -3.275 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.251 -0.978 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.382 -2.348 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.002 -0.680 6.036 1.00 0.00 H new ATOM 932 N PHE A 59 4.447 -0.247 6.235 1.00 0.00 N ATOM 933 CA PHE A 59 4.948 -0.396 7.597 1.00 0.00 C ATOM 934 C PHE A 59 3.856 -0.923 8.523 1.00 0.00 C ATOM 935 O PHE A 59 3.432 -0.237 9.454 1.00 0.00 O ATOM 936 CB PHE A 59 5.474 0.942 8.119 1.00 0.00 C ATOM 937 CG PHE A 59 6.424 1.622 7.175 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.299 0.881 6.399 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.442 3.004 7.066 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.175 1.504 5.529 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.314 3.632 6.197 1.00 0.00 C ATOM 942 CZ PHE A 59 8.183 2.881 5.429 1.00 0.00 C ATOM 0 H PHE A 59 4.099 0.686 6.013 1.00 0.00 H new ATOM 0 HA PHE A 59 5.765 -1.117 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.630 1.604 8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.976 0.779 9.072 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.297 -0.196 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.767 3.596 7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.852 0.914 4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.316 4.709 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.867 3.370 4.752 1.00 0.00 H new ATOM 952 N ASP A 60 3.404 -2.144 8.261 1.00 0.00 N ATOM 953 CA ASP A 60 2.361 -2.764 9.070 1.00 0.00 C ATOM 954 C ASP A 60 2.671 -2.621 10.557 1.00 0.00 C ATOM 955 O ASP A 60 1.767 -2.641 11.394 1.00 0.00 O ATOM 956 CB ASP A 60 2.216 -4.243 8.707 1.00 0.00 C ATOM 957 CG ASP A 60 3.534 -4.989 8.777 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.422 -4.701 7.949 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.676 -5.861 9.660 1.00 0.00 O ATOM 0 H ASP A 60 3.744 -2.725 7.494 1.00 0.00 H new ATOM 0 HA ASP A 60 1.421 -2.253 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.501 -4.711 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.807 -4.328 7.700 1.00 0.00 H new ATOM 964 N ARG A 61 3.952 -2.478 10.879 1.00 0.00 N ATOM 965 CA ARG A 61 4.380 -2.334 12.265 1.00 0.00 C ATOM 966 C ARG A 61 3.704 -1.134 12.921 1.00 0.00 C ATOM 967 O ARG A 61 2.998 -1.275 13.919 1.00 0.00 O ATOM 968 CB ARG A 61 5.901 -2.179 12.338 1.00 0.00 C ATOM 969 CG ARG A 61 6.644 -3.502 12.429 1.00 0.00 C ATOM 970 CD ARG A 61 6.404 -4.362 11.198 1.00 0.00 C ATOM 971 NE ARG A 61 7.527 -5.257 10.929 1.00 0.00 N ATOM 972 CZ ARG A 61 7.434 -6.344 10.171 1.00 0.00 C ATOM 973 NH1 ARG A 61 6.278 -6.668 9.609 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.501 -7.108 9.973 1.00 0.00 N ATOM 0 H ARG A 61 4.712 -2.459 10.199 1.00 0.00 H new ATOM 0 HA ARG A 61 4.087 -3.234 12.805 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.245 -1.638 11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.154 -1.569 13.205 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.712 -3.314 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.321 -4.041 13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.497 -4.950 11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.237 -3.719 10.334 1.00 0.00 H new ATOM 0 HE ARG A 61 8.431 -5.035 11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.457 -6.082 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.210 -7.503 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.392 -6.861 10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.430 -7.943 9.391 1.00 0.00 H new ATOM 988 N HIS A 62 3.926 0.048 12.353 1.00 0.00 N ATOM 989 CA HIS A 62 3.339 1.273 12.882 1.00 0.00 C ATOM 990 C HIS A 62 1.834 1.113 13.080 1.00 0.00 C ATOM 991 O HIS A 62 1.078 0.897 12.133 1.00 0.00 O ATOM 992 CB HIS A 62 3.619 2.446 11.942 1.00 0.00 C ATOM 993 CG HIS A 62 3.923 3.727 12.657 1.00 0.00 C ATOM 994 ND1 HIS A 62 3.039 4.333 13.524 1.00 0.00 N ATOM 995 CD2 HIS A 62 5.022 4.516 12.629 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.580 5.440 13.998 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.784 5.574 13.471 1.00 0.00 N ATOM 0 H HIS A 62 4.508 0.182 11.526 1.00 0.00 H new ATOM 0 HA HIS A 62 3.796 1.476 13.850 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.460 2.191 11.297 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.755 2.597 11.295 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.919 4.345 12.052 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.117 6.120 14.698 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.432 6.339 13.659 1.00 0.00 H new ATOM 1005 N PRO A 63 1.388 1.219 14.341 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.029 1.088 14.692 1.00 0.00 C ATOM 1007 C PRO A 63 -0.860 2.266 14.195 1.00 0.00 C ATOM 1008 O PRO A 63 -2.057 2.354 14.471 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.013 1.054 16.223 1.00 0.00 C ATOM 1010 CG PRO A 63 1.235 1.772 16.605 1.00 0.00 C ATOM 1011 CD PRO A 63 2.233 1.475 15.520 1.00 0.00 C ATOM 0 HA PRO A 63 -0.482 0.208 14.237 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.894 1.543 16.639 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.011 0.030 16.596 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.058 2.844 16.689 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.600 1.432 17.574 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.909 2.314 15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.850 0.611 15.767 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.219 3.168 13.460 1.00 0.00 N ATOM 1020 CA ASP A 64 -0.901 4.340 12.923 1.00 0.00 C ATOM 1021 C ASP A 64 -1.043 4.239 11.407 1.00 0.00 C ATOM 1022 O ASP A 64 -1.217 5.245 10.721 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.138 5.614 13.292 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.034 6.836 13.322 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -1.651 7.095 14.377 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.117 7.536 12.291 1.00 0.00 O ATOM 0 H ASP A 64 0.771 3.110 13.222 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.898 4.382 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.328 5.485 14.269 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.666 5.774 12.573 1.00 0.00 H new ATOM 1031 N GLY A 65 -0.966 3.016 10.891 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.087 2.805 9.460 1.00 0.00 C ATOM 1033 C GLY A 65 -0.180 3.720 8.661 1.00 0.00 C ATOM 1034 O GLY A 65 -0.634 4.713 8.091 1.00 0.00 O ATOM 0 H GLY A 65 -0.822 2.167 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.848 1.767 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.121 2.969 9.158 1.00 0.00 H new ATOM 1038 N VAL A 66 1.106 3.388 8.621 1.00 0.00 N ATOM 1039 CA VAL A 66 2.079 4.188 7.886 1.00 0.00 C ATOM 1040 C VAL A 66 2.654 3.408 6.708 1.00 0.00 C ATOM 1041 O VAL A 66 3.088 2.267 6.859 1.00 0.00 O ATOM 1042 CB VAL A 66 3.234 4.644 8.798 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.265 5.430 8.002 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.701 5.470 9.958 1.00 0.00 C ATOM 0 H VAL A 66 1.499 2.571 9.089 1.00 0.00 H new ATOM 0 HA VAL A 66 1.551 5.066 7.514 1.00 0.00 H new ATOM 0 HB VAL A 66 3.723 3.759 9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.073 5.744 8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.669 4.801 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.793 6.309 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.530 5.784 10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.186 6.350 9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.004 4.869 10.543 1.00 0.00 H new ATOM 1054 N ALA A 67 2.655 4.034 5.536 1.00 0.00 N ATOM 1055 CA ALA A 67 3.178 3.400 4.332 1.00 0.00 C ATOM 1056 C ALA A 67 4.151 4.322 3.605 1.00 0.00 C ATOM 1057 O ALA A 67 4.207 5.521 3.879 1.00 0.00 O ATOM 1058 CB ALA A 67 2.038 2.998 3.408 1.00 0.00 C ATOM 0 H ALA A 67 2.300 4.980 5.395 1.00 0.00 H new ATOM 0 HA ALA A 67 3.721 2.503 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.444 2.526 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.382 2.296 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.470 3.884 3.125 1.00 0.00 H new ATOM 1064 N SER A 68 4.917 3.755 2.678 1.00 0.00 N ATOM 1065 CA SER A 68 5.891 4.526 1.915 1.00 0.00 C ATOM 1066 C SER A 68 5.769 4.231 0.423 1.00 0.00 C ATOM 1067 O SER A 68 6.083 3.131 -0.031 1.00 0.00 O ATOM 1068 CB SER A 68 7.310 4.212 2.394 1.00 0.00 C ATOM 1069 OG SER A 68 8.256 5.075 1.786 1.00 0.00 O ATOM 0 H SER A 68 4.882 2.764 2.438 1.00 0.00 H new ATOM 0 HA SER A 68 5.686 5.584 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.363 4.315 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.555 3.176 2.160 1.00 0.00 H new ATOM 0 HG SER A 68 9.155 4.855 2.110 1.00 0.00 H new ATOM 1075 N VAL A 69 5.310 5.222 -0.334 1.00 0.00 N ATOM 1076 CA VAL A 69 5.146 5.070 -1.775 1.00 0.00 C ATOM 1077 C VAL A 69 6.131 5.951 -2.536 1.00 0.00 C ATOM 1078 O VAL A 69 5.902 7.148 -2.712 1.00 0.00 O ATOM 1079 CB VAL A 69 3.713 5.421 -2.218 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.397 4.779 -3.560 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.709 4.988 -1.161 1.00 0.00 C ATOM 0 H VAL A 69 5.045 6.139 0.026 1.00 0.00 H new ATOM 0 HA VAL A 69 5.344 4.023 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 69 3.641 6.502 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.381 5.038 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.098 5.142 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.485 3.696 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.702 5.243 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.780 3.911 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.925 5.499 -0.223 1.00 0.00 H new ATOM 1091 N SER A 70 7.229 5.351 -2.985 1.00 0.00 N ATOM 1092 CA SER A 70 8.252 6.082 -3.724 1.00 0.00 C ATOM 1093 C SER A 70 7.834 6.279 -5.178 1.00 0.00 C ATOM 1094 O SER A 70 7.271 5.379 -5.802 1.00 0.00 O ATOM 1095 CB SER A 70 9.586 5.337 -3.661 1.00 0.00 C ATOM 1096 OG SER A 70 10.654 6.167 -4.084 1.00 0.00 O ATOM 0 H SER A 70 7.433 4.361 -2.850 1.00 0.00 H new ATOM 0 HA SER A 70 8.370 7.062 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.768 4.996 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.540 4.449 -4.291 1.00 0.00 H new ATOM 0 HG SER A 70 11.496 5.668 -4.033 1.00 0.00 H new ATOM 1102 N PHE A 71 8.114 7.463 -5.712 1.00 0.00 N ATOM 1103 CA PHE A 71 7.768 7.781 -7.093 1.00 0.00 C ATOM 1104 C PHE A 71 9.023 7.975 -7.938 1.00 0.00 C ATOM 1105 O PHE A 71 10.138 8.004 -7.415 1.00 0.00 O ATOM 1106 CB PHE A 71 6.902 9.041 -7.146 1.00 0.00 C ATOM 1107 CG PHE A 71 5.498 8.826 -6.660 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.252 8.502 -5.335 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.424 8.947 -7.527 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.960 8.302 -4.885 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.130 8.749 -7.082 1.00 0.00 C ATOM 1112 CZ PHE A 71 2.898 8.427 -5.759 1.00 0.00 C ATOM 0 H PHE A 71 8.580 8.219 -5.209 1.00 0.00 H new ATOM 0 HA PHE A 71 7.203 6.943 -7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.371 9.820 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.870 9.407 -8.172 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.078 8.405 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.600 9.199 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.781 8.048 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.302 8.846 -7.768 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.888 8.273 -5.409 1.00 0.00 H new ATOM 1122 N ARG A 72 8.834 8.108 -9.247 1.00 0.00 N ATOM 1123 CA ARG A 72 9.950 8.297 -10.165 1.00 0.00 C ATOM 1124 C ARG A 72 10.128 9.774 -10.506 1.00 0.00 C ATOM 1125 O ARG A 72 11.252 10.265 -10.614 1.00 0.00 O ATOM 1126 CB ARG A 72 9.727 7.491 -11.445 1.00 0.00 C ATOM 1127 CG ARG A 72 10.745 7.785 -12.535 1.00 0.00 C ATOM 1128 CD ARG A 72 12.115 7.224 -12.184 1.00 0.00 C ATOM 1129 NE ARG A 72 13.152 7.703 -13.094 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.259 7.310 -14.358 1.00 0.00 C ATOM 1131 NH1 ARG A 72 12.396 6.437 -14.860 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.230 7.792 -15.124 1.00 0.00 N ATOM 0 H ARG A 72 7.918 8.088 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 72 10.856 7.943 -9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.760 6.428 -11.205 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.728 7.700 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.405 7.355 -13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.819 8.862 -12.684 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.371 7.505 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.080 6.135 -12.216 1.00 0.00 H new ATOM 0 HE ARG A 72 13.831 8.376 -12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.648 6.066 -14.275 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.481 6.137 -15.831 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.895 8.465 -14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.311 7.490 -16.095 1.00 0.00 H new ATOM 1146 N ASP A 73 9.013 10.476 -10.674 1.00 0.00 N ATOM 1147 CA ASP A 73 9.045 11.896 -11.002 1.00 0.00 C ATOM 1148 C ASP A 73 8.527 12.735 -9.838 1.00 0.00 C ATOM 1149 O ASP A 73 7.510 12.421 -9.219 1.00 0.00 O ATOM 1150 CB ASP A 73 8.212 12.171 -12.255 1.00 0.00 C ATOM 1151 CG ASP A 73 8.793 11.514 -13.492 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.242 10.353 -13.391 1.00 0.00 O ATOM 1153 OD2 ASP A 73 8.799 12.160 -14.561 1.00 0.00 O ATOM 0 H ASP A 73 8.075 10.084 -10.588 1.00 0.00 H new ATOM 0 HA ASP A 73 10.081 12.175 -11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.196 11.810 -12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.147 13.247 -12.415 1.00 0.00 H new ATOM 1158 N PRO A 74 9.242 13.827 -9.531 1.00 0.00 N ATOM 1159 CA PRO A 74 8.874 14.733 -8.439 1.00 0.00 C ATOM 1160 C PRO A 74 7.609 15.528 -8.746 1.00 0.00 C ATOM 1161 O PRO A 74 7.033 16.159 -7.862 1.00 0.00 O ATOM 1162 CB PRO A 74 10.081 15.669 -8.332 1.00 0.00 C ATOM 1163 CG PRO A 74 10.698 15.647 -9.688 1.00 0.00 C ATOM 1164 CD PRO A 74 10.465 14.262 -10.226 1.00 0.00 C ATOM 0 HA PRO A 74 8.653 14.193 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.777 16.677 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.783 15.325 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.245 16.398 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.763 15.871 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.332 14.268 -11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.305 13.601 -10.012 1.00 0.00 H new ATOM 1172 N GLU A 75 7.184 15.491 -10.005 1.00 0.00 N ATOM 1173 CA GLU A 75 5.987 16.209 -10.428 1.00 0.00 C ATOM 1174 C GLU A 75 4.727 15.487 -9.961 1.00 0.00 C ATOM 1175 O GLU A 75 3.830 16.096 -9.378 1.00 0.00 O ATOM 1176 CB GLU A 75 5.967 16.360 -11.951 1.00 0.00 C ATOM 1177 CG GLU A 75 7.157 17.127 -12.502 1.00 0.00 C ATOM 1178 CD GLU A 75 7.128 17.240 -14.014 1.00 0.00 C ATOM 1179 OE1 GLU A 75 6.345 18.064 -14.531 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.889 16.506 -14.679 1.00 0.00 O ATOM 0 H GLU A 75 7.650 14.972 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 75 6.008 17.199 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.942 15.370 -12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.049 16.869 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.174 18.126 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.078 16.631 -12.196 1.00 0.00 H new ATOM 1187 N GLU A 76 4.666 14.185 -10.222 1.00 0.00 N ATOM 1188 CA GLU A 76 3.515 13.380 -9.830 1.00 0.00 C ATOM 1189 C GLU A 76 3.381 13.326 -8.311 1.00 0.00 C ATOM 1190 O GLU A 76 2.343 13.682 -7.755 1.00 0.00 O ATOM 1191 CB GLU A 76 3.639 11.963 -10.393 1.00 0.00 C ATOM 1192 CG GLU A 76 3.242 11.853 -11.856 1.00 0.00 C ATOM 1193 CD GLU A 76 3.875 10.658 -12.543 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.163 9.660 -11.850 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.081 10.722 -13.773 1.00 0.00 O ATOM 0 H GLU A 76 5.400 13.665 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 76 2.620 13.848 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.669 11.624 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.015 11.291 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.157 11.777 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.534 12.764 -12.378 1.00 0.00 H new ATOM 1202 N ALA A 77 4.441 12.876 -7.645 1.00 0.00 N ATOM 1203 CA ALA A 77 4.444 12.776 -6.191 1.00 0.00 C ATOM 1204 C ALA A 77 3.768 13.987 -5.556 1.00 0.00 C ATOM 1205 O ALA A 77 2.681 13.877 -4.989 1.00 0.00 O ATOM 1206 CB ALA A 77 5.868 12.632 -5.675 1.00 0.00 C ATOM 0 H ALA A 77 5.308 12.575 -8.090 1.00 0.00 H new ATOM 0 HA ALA A 77 3.877 11.888 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.855 12.558 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.318 11.732 -6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.453 13.502 -5.973 1.00 0.00 H new ATOM 1212 N ASP A 78 4.419 15.141 -5.655 1.00 0.00 N ATOM 1213 CA ASP A 78 3.881 16.373 -5.090 1.00 0.00 C ATOM 1214 C ASP A 78 2.372 16.453 -5.300 1.00 0.00 C ATOM 1215 O ASP A 78 1.665 17.124 -4.548 1.00 0.00 O ATOM 1216 CB ASP A 78 4.562 17.588 -5.720 1.00 0.00 C ATOM 1217 CG ASP A 78 4.206 18.882 -5.016 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.878 18.831 -3.812 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.253 19.946 -5.668 1.00 0.00 O ATOM 0 H ASP A 78 5.320 15.249 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 78 4.081 16.370 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.643 17.449 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.275 17.658 -6.769 1.00 0.00 H new ATOM 1224 N TYR A 79 1.886 15.767 -6.329 1.00 0.00 N ATOM 1225 CA TYR A 79 0.462 15.764 -6.641 1.00 0.00 C ATOM 1226 C TYR A 79 -0.254 14.632 -5.909 1.00 0.00 C ATOM 1227 O TYR A 79 -1.320 14.831 -5.327 1.00 0.00 O ATOM 1228 CB TYR A 79 0.249 15.626 -8.149 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.949 16.392 -8.664 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.129 16.447 -7.932 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -0.902 17.058 -9.882 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.227 17.144 -8.399 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -1.994 17.759 -10.356 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.154 17.799 -9.611 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.245 18.495 -10.080 1.00 0.00 O ATOM 0 H TYR A 79 2.457 15.206 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 79 0.041 16.712 -6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.143 15.974 -8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.129 14.571 -8.395 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.189 15.936 -6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.004 17.027 -10.469 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.137 17.176 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.940 18.273 -11.304 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.028 18.899 -10.946 1.00 0.00 H new ATOM 1245 N CYS A 80 0.342 13.445 -5.944 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.237 12.280 -5.285 1.00 0.00 C ATOM 1247 C CYS A 80 -0.450 12.546 -3.799 1.00 0.00 C ATOM 1248 O CYS A 80 -1.308 11.931 -3.165 1.00 0.00 O ATOM 1249 CB CYS A 80 0.666 11.060 -5.473 1.00 0.00 C ATOM 1250 SG CYS A 80 1.926 10.870 -4.190 1.00 0.00 S ATOM 0 H CYS A 80 1.225 13.264 -6.421 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.206 12.079 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.047 10.163 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.158 11.132 -6.443 1.00 0.00 H new ATOM 0 HG CYS A 80 2.519 9.722 -4.331 1.00 0.00 H new ATOM 1256 N ILE A 81 0.337 13.464 -3.249 1.00 0.00 N ATOM 1257 CA ILE A 81 0.234 13.811 -1.836 1.00 0.00 C ATOM 1258 C ILE A 81 -0.993 14.676 -1.570 1.00 0.00 C ATOM 1259 O ILE A 81 -1.582 14.619 -0.491 1.00 0.00 O ATOM 1260 CB ILE A 81 1.490 14.556 -1.347 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.451 16.017 -1.799 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.747 13.870 -1.861 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.718 16.927 -0.840 1.00 0.00 C ATOM 0 H ILE A 81 1.053 13.981 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 81 0.140 12.874 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 81 1.507 14.533 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.472 16.378 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.974 16.073 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.626 14.408 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.778 12.844 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.739 13.865 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.730 17.947 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.314 16.591 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.208 16.900 0.133 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.373 15.475 -2.562 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.531 16.352 -2.435 1.00 0.00 C ATOM 1277 C GLN A 82 -3.793 15.664 -2.945 1.00 0.00 C ATOM 1278 O GLN A 82 -4.907 16.018 -2.556 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.299 17.653 -3.204 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.703 17.444 -4.587 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.586 18.735 -5.373 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -0.725 19.634 -4.910 1.00 0.00 O flip ATOM 1283 NE2 GLN A 82 -2.261 18.923 -6.385 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.896 15.533 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.666 16.583 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.247 18.181 -3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.635 18.295 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.716 16.992 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.322 16.740 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.911 18.205 -6.705 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.171 19.797 -6.903 1.00 0.00 H new ATOM 1292 N THR A 83 -3.612 14.677 -3.817 1.00 0.00 N ATOM 1293 CA THR A 83 -4.736 13.940 -4.382 1.00 0.00 C ATOM 1294 C THR A 83 -5.075 12.720 -3.533 1.00 0.00 C ATOM 1295 O THR A 83 -6.216 12.255 -3.525 1.00 0.00 O ATOM 1296 CB THR A 83 -4.441 13.483 -5.823 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.367 14.619 -6.692 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.516 12.528 -6.318 1.00 0.00 C ATOM 0 H THR A 83 -2.697 14.369 -4.147 1.00 0.00 H new ATOM 0 HA THR A 83 -5.587 14.620 -4.392 1.00 0.00 H new ATOM 0 HB THR A 83 -3.484 12.961 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.177 14.320 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.286 12.219 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.549 11.651 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.484 13.029 -6.300 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.080 12.207 -2.819 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.273 11.040 -1.965 1.00 0.00 C ATOM 1308 C LEU A 84 -4.569 11.460 -0.529 1.00 0.00 C ATOM 1309 O LEU A 84 -4.882 10.625 0.320 1.00 0.00 O ATOM 1310 CB LEU A 84 -3.033 10.145 -2.002 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.627 9.617 -3.378 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.230 9.017 -3.328 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.634 8.590 -3.874 1.00 0.00 C ATOM 0 H LEU A 84 -3.131 12.581 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.128 10.480 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.194 10.704 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.205 9.293 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.616 10.452 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.958 8.646 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.517 9.781 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.213 8.193 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.329 8.225 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.678 7.756 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.618 9.052 -3.949 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.471 12.758 -0.265 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.732 13.289 1.068 1.00 0.00 C ATOM 1327 C ASP A 85 -6.204 13.134 1.436 1.00 0.00 C ATOM 1328 O ASP A 85 -6.606 13.422 2.563 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.327 14.763 1.141 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.470 15.695 0.788 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.211 15.390 -0.170 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.624 16.729 1.471 1.00 0.00 O ATOM 0 H ASP A 85 -4.213 13.462 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.136 12.721 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.974 14.990 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.493 14.942 0.462 1.00 0.00 H new ATOM 1337 N GLY A 86 -7.004 12.678 0.477 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.423 12.494 0.720 1.00 0.00 C ATOM 1339 C GLY A 86 -8.877 11.073 0.455 1.00 0.00 C ATOM 1340 O GLY A 86 -10.044 10.738 0.660 1.00 0.00 O ATOM 0 H GLY A 86 -6.695 12.433 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.649 12.757 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.989 13.177 0.086 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.954 10.234 -0.003 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.266 8.841 -0.300 1.00 0.00 C ATOM 1346 C ARG A 87 -8.870 8.148 0.919 1.00 0.00 C ATOM 1347 O ARG A 87 -8.774 8.648 2.040 1.00 0.00 O ATOM 1348 CB ARG A 87 -7.007 8.098 -0.750 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.503 8.529 -2.118 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.021 7.614 -3.216 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.240 8.133 -3.831 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.463 7.835 -3.405 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -9.628 7.027 -2.367 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.523 8.347 -4.017 1.00 0.00 N ATOM 0 H ARG A 87 -6.983 10.495 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.998 8.823 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.218 8.258 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.214 7.028 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.819 9.553 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.413 8.525 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.253 7.493 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.217 6.625 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.147 8.758 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.815 6.633 -1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.568 6.800 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.400 8.970 -4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.461 8.118 -3.689 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.491 6.997 0.690 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.111 6.236 1.769 1.00 0.00 C ATOM 1370 C TRP A 88 -9.629 4.789 1.762 1.00 0.00 C ATOM 1371 O TRP A 88 -9.718 4.101 0.745 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.635 6.280 1.642 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.217 7.628 1.941 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.161 8.739 1.149 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.942 8.007 3.117 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.807 9.786 1.761 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.295 9.362 2.969 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.328 7.333 4.278 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.015 10.054 3.940 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.041 8.020 5.241 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.380 9.369 5.067 1.00 0.00 C ATOM 0 H TRP A 88 -9.579 6.570 -0.232 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.819 6.692 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.917 5.987 0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.070 5.546 2.320 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.680 8.788 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.907 10.726 1.378 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.073 6.293 4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.276 11.094 3.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.342 7.509 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.940 9.878 5.838 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.119 4.334 2.901 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.622 2.969 3.025 1.00 0.00 C ATOM 1394 C PHE A 89 -9.297 2.248 4.188 1.00 0.00 C ATOM 1395 O PHE A 89 -9.528 2.833 5.245 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.105 2.971 3.222 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.333 3.056 1.937 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.578 4.077 1.032 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.361 2.116 1.633 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.869 4.157 -0.152 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.649 2.191 0.451 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.903 3.214 -0.442 1.00 0.00 C ATOM 0 H PHE A 89 -9.039 4.891 3.752 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.860 2.437 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.831 3.813 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.814 2.064 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.331 4.818 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.158 1.315 2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.070 4.956 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.895 1.451 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.347 3.276 -1.366 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.611 0.972 3.984 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.256 0.191 5.023 1.00 0.00 C ATOM 1414 C GLY A 90 -11.614 0.746 5.405 1.00 0.00 C ATOM 1415 O GLY A 90 -12.248 0.263 6.343 1.00 0.00 O ATOM 0 H GLY A 90 -9.430 0.465 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.370 -0.838 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.616 0.166 5.905 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.062 1.764 4.677 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.350 2.369 4.962 1.00 0.00 C ATOM 1421 C GLY A 91 -13.222 3.785 5.488 1.00 0.00 C ATOM 1422 O GLY A 91 -14.179 4.559 5.447 1.00 0.00 O ATOM 0 H GLY A 91 -11.556 2.181 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.954 2.375 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.880 1.759 5.694 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.038 4.125 5.986 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.789 5.456 6.525 1.00 0.00 C ATOM 1428 C ARG A 92 -10.932 6.279 5.568 1.00 0.00 C ATOM 1429 O ARG A 92 -10.365 5.747 4.615 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.100 5.357 7.888 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.764 4.373 8.836 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.871 4.055 10.025 1.00 0.00 C ATOM 1433 NE ARG A 92 -11.644 3.707 11.214 1.00 0.00 N ATOM 1434 CZ ARG A 92 -12.191 2.513 11.411 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -12.050 1.557 10.503 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -12.881 2.272 12.518 1.00 0.00 N ATOM 0 H ARG A 92 -11.236 3.497 6.027 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.749 5.957 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.061 5.061 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.088 6.343 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.708 4.787 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.000 3.453 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.208 3.228 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.238 4.915 10.243 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.771 4.420 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.520 1.738 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.471 0.641 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.992 3.004 13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.301 1.354 12.668 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.843 7.579 5.830 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.057 8.475 4.991 1.00 0.00 C ATOM 1452 C GLN A 93 -8.580 8.416 5.366 1.00 0.00 C ATOM 1453 O GLN A 93 -8.225 7.981 6.462 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.570 9.910 5.119 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.392 10.735 3.855 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.470 12.227 4.115 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.498 12.667 5.265 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.505 13.014 3.046 1.00 0.00 N ATOM 0 H GLN A 93 -11.306 8.035 6.617 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.164 8.149 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.628 9.887 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.048 10.402 5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.428 10.499 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.159 10.456 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.480 12.606 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.557 14.026 3.159 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.723 8.856 4.451 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.285 8.853 4.687 1.00 0.00 C ATOM 1469 C ILE A 94 -5.644 10.144 4.188 1.00 0.00 C ATOM 1470 O ILE A 94 -6.181 10.818 3.308 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.604 7.656 3.998 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.648 7.821 2.478 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.274 6.354 4.414 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.784 6.824 1.737 1.00 0.00 C ATOM 0 H ILE A 94 -8.000 9.219 3.539 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.142 8.771 5.764 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.560 7.622 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.679 7.719 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.327 8.830 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.782 5.517 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.196 6.233 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.325 6.378 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.864 7.000 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.746 6.941 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.119 5.812 1.965 1.00 0.00 H new ATOM 1486 N THR A 95 -4.490 10.482 4.755 1.00 0.00 N ATOM 1487 CA THR A 95 -3.774 11.691 4.368 1.00 0.00 C ATOM 1488 C THR A 95 -2.458 11.354 3.676 1.00 0.00 C ATOM 1489 O THR A 95 -1.872 10.299 3.917 1.00 0.00 O ATOM 1490 CB THR A 95 -3.484 12.587 5.588 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.909 13.826 5.159 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.540 11.892 6.557 1.00 0.00 C ATOM 0 H THR A 95 -4.031 9.935 5.484 1.00 0.00 H new ATOM 0 HA THR A 95 -4.418 12.231 3.674 1.00 0.00 H new ATOM 0 HB THR A 95 -4.426 12.782 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.729 14.391 5.939 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.350 12.543 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.993 10.963 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.599 11.671 6.053 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.999 12.257 2.816 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.751 12.055 2.091 1.00 0.00 C ATOM 1502 C ALA A 96 0.142 13.289 2.181 1.00 0.00 C ATOM 1503 O ALA A 96 -0.348 14.414 2.274 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.035 11.712 0.636 1.00 0.00 C ATOM 0 H ALA A 96 -2.473 13.135 2.604 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.222 11.221 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.094 11.564 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.627 10.798 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.588 12.528 0.171 1.00 0.00 H new ATOM 1510 N GLN A 97 1.452 13.069 2.153 1.00 0.00 N ATOM 1511 CA GLN A 97 2.412 14.163 2.233 1.00 0.00 C ATOM 1512 C GLN A 97 3.785 13.720 1.739 1.00 0.00 C ATOM 1513 O GLN A 97 4.074 12.526 1.666 1.00 0.00 O ATOM 1514 CB GLN A 97 2.514 14.675 3.671 1.00 0.00 C ATOM 1515 CG GLN A 97 2.646 13.568 4.703 1.00 0.00 C ATOM 1516 CD GLN A 97 1.307 13.129 5.263 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.630 12.237 4.549 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.884 13.588 6.324 1.00 0.00 N flip ATOM 0 H GLN A 97 1.873 12.143 2.076 1.00 0.00 H new ATOM 0 HA GLN A 97 2.059 14.971 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.374 15.339 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.630 15.270 3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.144 12.711 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.282 13.911 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.437 14.272 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.020 13.285 6.687 1.00 0.00 H new ATOM 1527 N ALA A 98 4.628 14.690 1.400 1.00 0.00 N ATOM 1528 CA ALA A 98 5.971 14.400 0.915 1.00 0.00 C ATOM 1529 C ALA A 98 6.906 14.045 2.066 1.00 0.00 C ATOM 1530 O ALA A 98 6.849 14.654 3.135 1.00 0.00 O ATOM 1531 CB ALA A 98 6.518 15.587 0.135 1.00 0.00 C ATOM 0 H ALA A 98 4.404 15.684 1.453 1.00 0.00 H new ATOM 0 HA ALA A 98 5.912 13.538 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.522 15.357 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.869 15.793 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.555 16.462 0.783 1.00 0.00 H new ATOM 1537 N TRP A 99 7.765 13.058 1.841 1.00 0.00 N ATOM 1538 CA TRP A 99 8.712 12.622 2.861 1.00 0.00 C ATOM 1539 C TRP A 99 9.974 13.477 2.834 1.00 0.00 C ATOM 1540 O TRP A 99 10.403 13.933 1.774 1.00 0.00 O ATOM 1541 CB TRP A 99 9.074 11.150 2.654 1.00 0.00 C ATOM 1542 CG TRP A 99 9.838 10.559 3.801 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.592 10.744 5.131 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.972 9.690 3.718 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.505 10.042 5.880 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.362 9.386 5.037 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.696 9.137 2.657 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.443 8.556 5.321 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.768 8.313 2.941 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.133 8.028 4.264 1.00 0.00 C ATOM 0 H TRP A 99 7.826 12.544 0.962 1.00 0.00 H new ATOM 0 HA TRP A 99 8.238 12.739 3.835 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.160 10.576 2.502 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.666 11.053 1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.797 11.353 5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.539 10.014 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.422 9.350 1.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.727 8.337 6.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.335 7.881 2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.975 7.379 4.453 1.00 0.00 H new ATOM 1561 N ASP A 100 10.563 13.692 4.005 1.00 0.00 N ATOM 1562 CA ASP A 100 11.777 14.492 4.115 1.00 0.00 C ATOM 1563 C ASP A 100 12.913 13.676 4.724 1.00 0.00 C ATOM 1564 O ASP A 100 13.697 14.184 5.525 1.00 0.00 O ATOM 1565 CB ASP A 100 11.517 15.738 4.963 1.00 0.00 C ATOM 1566 CG ASP A 100 10.648 16.754 4.248 1.00 0.00 C ATOM 1567 OD1 ASP A 100 11.023 17.177 3.135 1.00 0.00 O ATOM 1568 OD2 ASP A 100 9.591 17.125 4.801 1.00 0.00 O ATOM 0 H ASP A 100 10.219 13.323 4.892 1.00 0.00 H new ATOM 0 HA ASP A 100 12.072 14.799 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.036 15.445 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.469 16.200 5.227 1.00 0.00 H new ATOM 1573 N GLY A 101 12.995 12.406 4.338 1.00 0.00 N ATOM 1574 CA GLY A 101 14.037 11.539 4.857 1.00 0.00 C ATOM 1575 C GLY A 101 14.386 11.850 6.299 1.00 0.00 C ATOM 1576 O GLY A 101 15.527 12.196 6.610 1.00 0.00 O ATOM 0 H GLY A 101 12.359 11.962 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.713 10.501 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.930 11.640 4.240 1.00 0.00 H new ATOM 1580 N THR A 102 13.401 11.730 7.184 1.00 0.00 N ATOM 1581 CA THR A 102 13.609 12.003 8.600 1.00 0.00 C ATOM 1582 C THR A 102 13.017 10.897 9.466 1.00 0.00 C ATOM 1583 O THR A 102 13.598 10.512 10.482 1.00 0.00 O ATOM 1584 CB THR A 102 12.983 13.350 9.010 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.006 13.487 10.435 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.551 13.456 8.508 1.00 0.00 C ATOM 0 H THR A 102 12.451 11.445 6.944 1.00 0.00 H new ATOM 0 HA THR A 102 14.687 12.048 8.758 1.00 0.00 H new ATOM 0 HB THR A 102 13.569 14.151 8.559 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.608 14.346 10.688 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.130 14.415 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.540 13.381 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.955 12.648 8.934 1.00 0.00 H new ATOM 1594 N THR A 103 11.859 10.388 9.059 1.00 0.00 N ATOM 1595 CA THR A 103 11.189 9.325 9.798 1.00 0.00 C ATOM 1596 C THR A 103 12.086 8.101 9.935 1.00 0.00 C ATOM 1597 O THR A 103 12.976 7.876 9.115 1.00 0.00 O ATOM 1598 CB THR A 103 9.873 8.909 9.114 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.014 8.260 10.058 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.143 7.977 7.942 1.00 0.00 C ATOM 0 H THR A 103 11.365 10.695 8.221 1.00 0.00 H new ATOM 0 HA THR A 103 10.966 9.721 10.789 1.00 0.00 H new ATOM 0 HB THR A 103 9.385 9.808 8.738 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.477 7.581 9.599 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.199 7.697 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.773 8.484 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.651 7.081 8.299 1.00 0.00 H new ATOM 1608 N ASP A 104 11.847 7.312 10.977 1.00 0.00 N ATOM 1609 CA ASP A 104 12.633 6.108 11.221 1.00 0.00 C ATOM 1610 C ASP A 104 11.805 4.855 10.954 1.00 0.00 C ATOM 1611 O ASP A 104 12.092 3.783 11.487 1.00 0.00 O ATOM 1612 CB ASP A 104 13.151 6.095 12.660 1.00 0.00 C ATOM 1613 CG ASP A 104 14.227 7.136 12.898 1.00 0.00 C ATOM 1614 OD1 ASP A 104 15.386 6.891 12.506 1.00 0.00 O ATOM 1615 OD2 ASP A 104 13.909 8.196 13.477 1.00 0.00 O ATOM 0 H ASP A 104 11.115 7.485 11.666 1.00 0.00 H new ATOM 0 HA ASP A 104 13.482 6.113 10.537 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.321 6.272 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.548 5.107 12.891 1.00 0.00 H new ATOM 1620 N TYR A 105 10.776 4.998 10.126 1.00 0.00 N ATOM 1621 CA TYR A 105 9.904 3.878 9.790 1.00 0.00 C ATOM 1622 C TYR A 105 10.720 2.657 9.378 1.00 0.00 C ATOM 1623 O TYR A 105 10.742 1.646 10.080 1.00 0.00 O ATOM 1624 CB TYR A 105 8.947 4.270 8.664 1.00 0.00 C ATOM 1625 CG TYR A 105 8.041 5.429 9.014 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.523 5.568 10.296 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.704 6.385 8.064 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.695 6.625 10.621 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.878 7.446 8.380 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.376 7.562 9.659 1.00 0.00 C ATOM 1631 OH TYR A 105 5.551 8.617 9.978 1.00 0.00 O ATOM 0 H TYR A 105 10.525 5.878 9.675 1.00 0.00 H new ATOM 0 HA TYR A 105 9.325 3.622 10.677 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.528 4.529 7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.334 3.407 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.772 4.837 11.051 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.095 6.297 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.300 6.718 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.627 8.181 7.629 1.00 0.00 H new ATOM 0 HH TYR A 105 5.427 9.185 9.189 1.00 0.00 H new ATOM 1641 N GLN A 106 11.389 2.759 8.234 1.00 0.00 N ATOM 1642 CA GLN A 106 12.207 1.663 7.728 1.00 0.00 C ATOM 1643 C GLN A 106 13.664 1.832 8.146 1.00 0.00 C ATOM 1644 O GLN A 106 14.385 0.851 8.330 1.00 0.00 O ATOM 1645 CB GLN A 106 12.108 1.588 6.203 1.00 0.00 C ATOM 1646 CG GLN A 106 12.953 2.629 5.486 1.00 0.00 C ATOM 1647 CD GLN A 106 12.322 4.007 5.507 1.00 0.00 C ATOM 1648 OE1 GLN A 106 12.887 4.953 6.057 1.00 0.00 O ATOM 1649 NE2 GLN A 106 11.145 4.129 4.905 1.00 0.00 N ATOM 0 H GLN A 106 11.381 3.589 7.641 1.00 0.00 H new ATOM 0 HA GLN A 106 11.831 0.734 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.415 0.595 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 106 11.066 1.712 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.937 2.677 5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 106 13.105 2.319 4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.713 3.319 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.673 5.033 4.886 1.00 0.00 H new ATOM 1658 N SER A 107 14.090 3.082 8.296 1.00 0.00 N ATOM 1659 CA SER A 107 15.463 3.379 8.689 1.00 0.00 C ATOM 1660 C SER A 107 15.888 2.515 9.873 1.00 0.00 C ATOM 1661 O SER A 107 15.129 2.326 10.822 1.00 0.00 O ATOM 1662 CB SER A 107 15.604 4.860 9.048 1.00 0.00 C ATOM 1663 OG SER A 107 16.915 5.326 8.782 1.00 0.00 O ATOM 0 H SER A 107 13.505 3.905 8.152 1.00 0.00 H new ATOM 0 HA SER A 107 16.114 3.153 7.844 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.884 5.446 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.370 5.006 10.102 1.00 0.00 H new ATOM 0 HG SER A 107 16.979 6.275 9.018 1.00 0.00 H new ATOM 1669 N GLY A 108 17.109 1.992 9.807 1.00 0.00 N ATOM 1670 CA GLY A 108 17.615 1.154 10.878 1.00 0.00 C ATOM 1671 C GLY A 108 18.362 1.948 11.932 1.00 0.00 C ATOM 1672 O GLY A 108 18.797 3.075 11.698 1.00 0.00 O ATOM 0 H GLY A 108 17.756 2.134 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.784 0.627 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.278 0.397 10.460 1.00 0.00 H new ATOM 1676 N PRO A 109 18.517 1.355 13.125 1.00 0.00 N ATOM 1677 CA PRO A 109 19.216 1.997 14.243 1.00 0.00 C ATOM 1678 C PRO A 109 20.716 2.117 13.997 1.00 0.00 C ATOM 1679 O PRO A 109 21.346 1.194 13.482 1.00 0.00 O ATOM 1680 CB PRO A 109 18.940 1.058 15.420 1.00 0.00 C ATOM 1681 CG PRO A 109 18.689 -0.270 14.794 1.00 0.00 C ATOM 1682 CD PRO A 109 18.024 0.013 13.475 1.00 0.00 C ATOM 0 HA PRO A 109 18.873 3.019 14.406 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.788 1.020 16.103 1.00 0.00 H new ATOM 0 HB3 PRO A 109 18.079 1.392 15.999 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.621 -0.817 14.652 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.052 -0.886 15.428 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.297 -0.725 12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.938 -0.006 13.561 1.00 0.00 H new ATOM 1690 N SER A 110 21.282 3.261 14.369 1.00 0.00 N ATOM 1691 CA SER A 110 22.708 3.502 14.186 1.00 0.00 C ATOM 1692 C SER A 110 23.520 2.821 15.283 1.00 0.00 C ATOM 1693 O SER A 110 23.710 3.375 16.366 1.00 0.00 O ATOM 1694 CB SER A 110 22.996 5.005 14.182 1.00 0.00 C ATOM 1695 OG SER A 110 24.357 5.263 13.880 1.00 0.00 O ATOM 0 H SER A 110 20.775 4.035 14.799 1.00 0.00 H new ATOM 0 HA SER A 110 23.002 3.079 13.225 1.00 0.00 H new ATOM 0 HB2 SER A 110 22.358 5.499 13.449 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.750 5.428 15.156 1.00 0.00 H new ATOM 0 HG SER A 110 24.515 6.230 13.882 1.00 0.00 H new ATOM 1701 N SER A 111 23.997 1.614 14.995 1.00 0.00 N ATOM 1702 CA SER A 111 24.786 0.854 15.958 1.00 0.00 C ATOM 1703 C SER A 111 23.966 0.544 17.207 1.00 0.00 C ATOM 1704 O SER A 111 24.469 0.620 18.327 1.00 0.00 O ATOM 1705 CB SER A 111 26.048 1.629 16.341 1.00 0.00 C ATOM 1706 OG SER A 111 26.882 1.834 15.214 1.00 0.00 O ATOM 0 H SER A 111 23.851 1.141 14.103 1.00 0.00 H new ATOM 0 HA SER A 111 25.075 -0.088 15.491 1.00 0.00 H new ATOM 0 HB2 SER A 111 25.771 2.591 16.772 1.00 0.00 H new ATOM 0 HB3 SER A 111 26.596 1.082 17.108 1.00 0.00 H new ATOM 0 HG SER A 111 27.681 2.333 15.485 1.00 0.00 H new ATOM 1712 N GLY A 112 22.699 0.195 17.005 1.00 0.00 N ATOM 1713 CA GLY A 112 21.830 -0.121 18.123 1.00 0.00 C ATOM 1714 C GLY A 112 21.814 -1.602 18.446 1.00 0.00 C ATOM 1715 O GLY A 112 20.788 -2.145 18.853 1.00 0.00 O ATOM 0 H GLY A 112 22.259 0.126 16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 112 22.157 0.436 19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 112 20.816 0.209 17.896 1.00 0.00 H new TER 1719 GLY A 112