USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -4.84! C(o=-7.1!,f=-7.1!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.24 X(o=-7.1,f=-7.3) USER MOD Set 2.1: A 46 THR OG1 : rot 137:sc= -1.12! USER MOD Set 2.2: A 69 GLN : amide:sc= -7.95 K(o=-9.1,f=-13!) USER MOD Set 3.1: A 51 ASN : amide:sc= 0.202 K(o=0.4,f=3.2) USER MOD Set 3.2: B -1 TYR OH : rot -175:sc= 0.195 USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -0.675 (180deg=-2.12!) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0519) USER MOD Single : A 26 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 49:sc= 1.26 USER MOD Single : A 42 SER OG : rot 88:sc= -0.277 USER MOD Single : A 52 MET CE :methyl -170:sc= -2.37! (180deg=-2.71) USER MOD Single : A 53 MET CE :methyl -157:sc= -7.47! (180deg=-9.61!) USER MOD Single : A 54 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 120:sc= -0.224 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.01 K(o=-1,f=-0.4) USER MOD Single : A 71 MET CE :methyl -133:sc= -14.3! (180deg=-18.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 88:sc= 0.34 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -160:sc= -1.05 USER MOD Single : A 86 CYS SG : rot 57:sc= -0.736 USER MOD Single : A 87 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.996 K(o=-1,f=-4.1!) USER MOD Single : A 97 SER OG : rot -11:sc= 0.504! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.927 -9.309 -8.819 1.00 0.00 N ATOM 2 CA GLU A 17 -15.058 -8.927 -9.928 1.00 0.00 C ATOM 3 C GLU A 17 -14.037 -7.875 -9.500 1.00 0.00 C ATOM 4 O GLU A 17 -14.368 -6.927 -8.788 1.00 0.00 O ATOM 5 CB GLU A 17 -15.893 -8.395 -11.093 1.00 0.00 C ATOM 6 CG GLU A 17 -15.332 -8.754 -12.459 1.00 0.00 C ATOM 7 CD GLU A 17 -16.412 -9.141 -13.450 1.00 0.00 C ATOM 8 OE1 GLU A 17 -17.317 -9.915 -13.070 1.00 0.00 O ATOM 9 OE2 GLU A 17 -16.354 -8.671 -14.605 1.00 0.00 O ATOM 0 HA GLU A 17 -14.515 -9.817 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.907 -8.788 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.964 -7.310 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.771 -7.906 -12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.629 -9.580 -12.353 1.00 0.00 H new ATOM 16 N PHE A 18 -12.797 -8.047 -9.951 1.00 0.00 N ATOM 17 CA PHE A 18 -11.722 -7.113 -9.631 1.00 0.00 C ATOM 18 C PHE A 18 -11.948 -5.780 -10.336 1.00 0.00 C ATOM 19 O PHE A 18 -12.550 -5.735 -11.408 1.00 0.00 O ATOM 20 CB PHE A 18 -10.371 -7.700 -10.051 1.00 0.00 C ATOM 21 CG PHE A 18 -9.563 -8.248 -8.910 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.989 -7.397 -7.977 1.00 0.00 C ATOM 23 CD2 PHE A 18 -9.370 -9.614 -8.773 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.239 -7.899 -6.931 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.620 -10.120 -7.729 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.056 -9.262 -6.807 1.00 0.00 C ATOM 0 H PHE A 18 -12.512 -8.828 -10.542 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.719 -6.945 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.542 -8.495 -10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.791 -6.927 -10.555 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.130 -6.330 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.811 -10.290 -9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.796 -7.226 -6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.475 -11.186 -7.634 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.472 -9.656 -5.989 1.00 0.00 H new ATOM 36 N LYS A 19 -11.464 -4.695 -9.738 1.00 0.00 N ATOM 37 CA LYS A 19 -11.626 -3.375 -10.332 1.00 0.00 C ATOM 38 C LYS A 19 -10.668 -2.356 -9.719 1.00 0.00 C ATOM 39 O LYS A 19 -10.604 -2.195 -8.498 1.00 0.00 O ATOM 40 CB LYS A 19 -13.068 -2.895 -10.172 1.00 0.00 C ATOM 41 CG LYS A 19 -13.521 -2.810 -8.724 1.00 0.00 C ATOM 42 CD LYS A 19 -13.821 -1.376 -8.314 1.00 0.00 C ATOM 43 CE LYS A 19 -14.868 -0.742 -9.216 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.266 0.219 -10.183 1.00 0.00 N ATOM 0 H LYS A 19 -10.961 -4.704 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.388 -3.462 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.169 -1.913 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.730 -3.572 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.412 -3.423 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.747 -3.220 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.171 -1.358 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.904 -0.787 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.396 -1.523 -9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.608 -0.225 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.819 1.100 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.286 0.426 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.273 -0.197 -11.136 1.00 0.00 H new ATOM 58 N ASP A 20 -9.932 -1.665 -10.586 1.00 0.00 N ATOM 59 CA ASP A 20 -8.981 -0.644 -10.159 1.00 0.00 C ATOM 60 C ASP A 20 -9.710 0.651 -9.814 1.00 0.00 C ATOM 61 O ASP A 20 -10.150 1.381 -10.701 1.00 0.00 O ATOM 62 CB ASP A 20 -7.952 -0.385 -11.259 1.00 0.00 C ATOM 63 CG ASP A 20 -8.600 0.019 -12.572 1.00 0.00 C ATOM 64 OD1 ASP A 20 -9.443 -0.748 -13.080 1.00 0.00 O ATOM 65 OD2 ASP A 20 -8.260 1.104 -13.091 1.00 0.00 O ATOM 0 H ASP A 20 -9.978 -1.796 -11.597 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.465 -1.005 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.269 0.401 -10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.354 -1.283 -11.413 1.00 0.00 H new ATOM 70 N VAL A 21 -9.838 0.925 -8.521 1.00 0.00 N ATOM 71 CA VAL A 21 -10.518 2.126 -8.060 1.00 0.00 C ATOM 72 C VAL A 21 -9.588 3.334 -8.081 1.00 0.00 C ATOM 73 O VAL A 21 -8.404 3.231 -7.764 1.00 0.00 O ATOM 74 CB VAL A 21 -11.073 1.954 -6.633 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.001 3.105 -6.278 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.790 0.617 -6.494 1.00 0.00 C ATOM 0 H VAL A 21 -9.479 0.330 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.347 2.293 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.236 1.964 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.383 2.966 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.452 4.045 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.834 3.130 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.175 0.514 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.617 0.573 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.091 -0.194 -6.701 1.00 0.00 H new ATOM 86 N PHE A 22 -10.145 4.479 -8.454 1.00 0.00 N ATOM 87 CA PHE A 22 -9.390 5.720 -8.519 1.00 0.00 C ATOM 88 C PHE A 22 -10.154 6.839 -7.821 1.00 0.00 C ATOM 89 O PHE A 22 -11.130 7.362 -8.355 1.00 0.00 O ATOM 90 CB PHE A 22 -9.124 6.100 -9.979 1.00 0.00 C ATOM 91 CG PHE A 22 -7.725 6.580 -10.236 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.642 5.956 -9.640 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.493 7.657 -11.077 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.357 6.394 -9.877 1.00 0.00 C ATOM 95 CE2 PHE A 22 -6.206 8.100 -11.317 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.138 7.465 -10.715 1.00 0.00 C ATOM 0 H PHE A 22 -11.126 4.572 -8.718 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.436 5.575 -8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.323 5.235 -10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.826 6.880 -10.275 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.806 5.116 -8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.327 8.155 -11.550 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.522 5.897 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.036 8.941 -11.974 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.131 7.808 -10.901 1.00 0.00 H new ATOM 106 N ILE A 23 -9.711 7.195 -6.621 1.00 0.00 N ATOM 107 CA ILE A 23 -10.364 8.245 -5.852 1.00 0.00 C ATOM 108 C ILE A 23 -9.528 9.520 -5.836 1.00 0.00 C ATOM 109 O ILE A 23 -8.577 9.645 -5.067 1.00 0.00 O ATOM 110 CB ILE A 23 -10.634 7.790 -4.405 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.414 6.472 -4.405 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.391 8.865 -3.634 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.866 6.623 -4.808 1.00 0.00 C ATOM 0 H ILE A 23 -8.904 6.773 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.316 8.454 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.678 7.629 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.928 5.773 -5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.367 6.032 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.571 8.523 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.800 9.780 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.344 9.061 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.353 5.648 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.368 7.297 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.923 7.033 -5.816 1.00 0.00 H new ATOM 125 N GLU A 24 -9.900 10.466 -6.692 1.00 0.00 N ATOM 126 CA GLU A 24 -9.196 11.741 -6.780 1.00 0.00 C ATOM 127 C GLU A 24 -9.746 12.720 -5.749 1.00 0.00 C ATOM 128 O GLU A 24 -10.877 13.191 -5.869 1.00 0.00 O ATOM 129 CB GLU A 24 -9.335 12.333 -8.185 1.00 0.00 C ATOM 130 CG GLU A 24 -9.254 11.300 -9.297 1.00 0.00 C ATOM 131 CD GLU A 24 -10.621 10.873 -9.795 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.523 11.733 -9.869 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.791 9.675 -10.108 1.00 0.00 O ATOM 0 H GLU A 24 -10.686 10.374 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.140 11.566 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.289 12.856 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.552 13.077 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.680 11.710 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.713 10.425 -8.937 1.00 0.00 H new ATOM 140 N LYS A 25 -8.946 13.016 -4.733 1.00 0.00 N ATOM 141 CA LYS A 25 -9.363 13.933 -3.680 1.00 0.00 C ATOM 142 C LYS A 25 -8.227 14.870 -3.288 1.00 0.00 C ATOM 143 O LYS A 25 -7.219 14.969 -3.987 1.00 0.00 O ATOM 144 CB LYS A 25 -9.844 13.143 -2.460 1.00 0.00 C ATOM 145 CG LYS A 25 -8.727 12.429 -1.713 1.00 0.00 C ATOM 146 CD LYS A 25 -8.857 10.918 -1.824 1.00 0.00 C ATOM 147 CE LYS A 25 -8.309 10.223 -0.589 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.864 10.513 -0.382 1.00 0.00 N ATOM 0 H LYS A 25 -8.007 12.636 -4.616 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.185 14.540 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.350 13.823 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.581 12.408 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.763 12.742 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.746 12.720 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.905 10.650 -1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.322 10.569 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.872 10.543 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.453 9.147 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.497 9.917 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.340 10.310 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.744 11.515 -0.131 1.00 0.00 H new ATOM 162 N GLN A 26 -8.399 15.554 -2.164 1.00 0.00 N ATOM 163 CA GLN A 26 -7.391 16.482 -1.671 1.00 0.00 C ATOM 164 C GLN A 26 -6.922 16.072 -0.280 1.00 0.00 C ATOM 165 O GLN A 26 -7.577 15.282 0.398 1.00 0.00 O ATOM 166 CB GLN A 26 -7.949 17.907 -1.637 1.00 0.00 C ATOM 167 CG GLN A 26 -8.041 18.555 -3.009 1.00 0.00 C ATOM 168 CD GLN A 26 -9.471 18.692 -3.494 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.107 19.729 -3.304 1.00 0.00 O ATOM 170 NE2 GLN A 26 -9.986 17.642 -4.123 1.00 0.00 N ATOM 0 H GLN A 26 -9.229 15.483 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.538 16.454 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.941 17.890 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.317 18.521 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.577 19.541 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.473 17.962 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.423 16.802 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.944 17.675 -4.470 1.00 0.00 H new ATOM 179 N LYS A 27 -5.787 16.616 0.141 1.00 0.00 N ATOM 180 CA LYS A 27 -5.236 16.304 1.452 1.00 0.00 C ATOM 181 C LYS A 27 -6.228 16.647 2.554 1.00 0.00 C ATOM 182 O LYS A 27 -7.170 17.410 2.343 1.00 0.00 O ATOM 183 CB LYS A 27 -3.928 17.066 1.675 1.00 0.00 C ATOM 184 CG LYS A 27 -3.003 17.052 0.472 1.00 0.00 C ATOM 185 CD LYS A 27 -1.545 17.140 0.892 1.00 0.00 C ATOM 186 CE LYS A 27 -0.645 16.352 -0.044 1.00 0.00 C ATOM 187 NZ LYS A 27 0.407 17.208 -0.656 1.00 0.00 N ATOM 0 H LYS A 27 -5.232 17.274 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.036 15.233 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.159 18.100 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.406 16.633 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.163 16.139 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.245 17.888 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.232 18.184 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.435 16.761 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.175 15.537 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.248 15.899 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.999 16.632 -1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.041 17.971 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.999 17.620 0.093 1.00 0.00 H new ATOM 201 N GLY A 28 -6.009 16.074 3.730 1.00 0.00 N ATOM 202 CA GLY A 28 -6.890 16.328 4.852 1.00 0.00 C ATOM 203 C GLY A 28 -8.273 15.728 4.660 1.00 0.00 C ATOM 204 O GLY A 28 -9.191 16.025 5.424 1.00 0.00 O ATOM 0 H GLY A 28 -5.237 15.438 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.444 15.919 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.983 17.404 5.000 1.00 0.00 H new ATOM 208 N GLU A 29 -8.424 14.876 3.647 1.00 0.00 N ATOM 209 CA GLU A 29 -9.702 14.235 3.378 1.00 0.00 C ATOM 210 C GLU A 29 -9.534 12.727 3.309 1.00 0.00 C ATOM 211 O GLU A 29 -10.218 12.053 2.543 1.00 0.00 O ATOM 212 CB GLU A 29 -10.307 14.760 2.075 1.00 0.00 C ATOM 213 CG GLU A 29 -10.879 16.164 2.191 1.00 0.00 C ATOM 214 CD GLU A 29 -11.487 16.654 0.892 1.00 0.00 C ATOM 215 OE1 GLU A 29 -10.731 16.837 -0.086 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.719 16.857 0.852 1.00 0.00 O ATOM 0 H GLU A 29 -7.677 14.617 3.003 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.383 14.475 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.541 14.752 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.096 14.081 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.639 16.179 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.090 16.850 2.500 1.00 0.00 H new ATOM 223 N ILE A 30 -8.614 12.224 4.135 1.00 0.00 N ATOM 224 CA ILE A 30 -8.303 10.789 4.231 1.00 0.00 C ATOM 225 C ILE A 30 -8.875 9.973 3.072 1.00 0.00 C ATOM 226 O ILE A 30 -8.159 9.609 2.140 1.00 0.00 O ATOM 227 CB ILE A 30 -8.803 10.187 5.562 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.050 10.915 6.063 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.707 10.234 6.614 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.136 9.972 6.522 1.00 0.00 C ATOM 0 H ILE A 30 -8.057 12.803 4.763 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.216 10.727 4.185 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.069 9.146 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.774 11.572 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.439 11.549 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.078 9.806 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.846 9.661 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.410 11.269 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.996 10.547 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.436 9.332 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.761 9.355 7.339 1.00 0.00 H new ATOM 242 N LEU A 31 -10.168 9.695 3.149 1.00 0.00 N ATOM 243 CA LEU A 31 -10.869 8.928 2.127 1.00 0.00 C ATOM 244 C LEU A 31 -12.315 8.708 2.548 1.00 0.00 C ATOM 245 O LEU A 31 -13.238 8.814 1.740 1.00 0.00 O ATOM 246 CB LEU A 31 -10.185 7.577 1.891 1.00 0.00 C ATOM 247 CG LEU A 31 -10.797 6.730 0.775 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.878 7.529 -0.518 1.00 0.00 C ATOM 249 CD2 LEU A 31 -9.987 5.459 0.568 1.00 0.00 C ATOM 0 H LEU A 31 -10.762 9.995 3.922 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.843 9.493 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.135 7.754 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.214 7.005 2.818 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.809 6.450 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.316 6.910 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.499 8.411 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.877 7.839 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.436 4.867 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.964 5.720 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.979 4.878 1.490 1.00 0.00 H new ATOM 261 N GLY A 32 -12.501 8.416 3.832 1.00 0.00 N ATOM 262 CA GLY A 32 -13.831 8.203 4.364 1.00 0.00 C ATOM 263 C GLY A 32 -14.352 6.795 4.149 1.00 0.00 C ATOM 264 O GLY A 32 -15.360 6.601 3.470 1.00 0.00 O ATOM 0 H GLY A 32 -11.749 8.323 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.825 8.420 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.517 8.911 3.899 1.00 0.00 H new ATOM 268 N VAL A 33 -13.678 5.808 4.733 1.00 0.00 N ATOM 269 CA VAL A 33 -14.111 4.415 4.597 1.00 0.00 C ATOM 270 C VAL A 33 -13.696 3.569 5.798 1.00 0.00 C ATOM 271 O VAL A 33 -12.750 3.899 6.509 1.00 0.00 O ATOM 272 CB VAL A 33 -13.607 3.753 3.282 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.211 4.807 2.258 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.449 2.787 3.527 1.00 0.00 C ATOM 0 H VAL A 33 -12.840 5.941 5.299 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.200 4.450 4.555 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.438 3.171 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.862 4.318 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.074 5.431 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.413 5.428 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.133 2.351 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.614 3.326 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.773 1.994 4.201 1.00 0.00 H new ATOM 284 N VAL A 34 -14.413 2.472 6.004 1.00 0.00 N ATOM 285 CA VAL A 34 -14.123 1.559 7.103 1.00 0.00 C ATOM 286 C VAL A 34 -13.851 0.159 6.571 1.00 0.00 C ATOM 287 O VAL A 34 -14.625 -0.376 5.778 1.00 0.00 O ATOM 288 CB VAL A 34 -15.277 1.501 8.117 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.910 0.618 9.302 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.645 2.901 8.580 1.00 0.00 C ATOM 0 H VAL A 34 -15.203 2.192 5.422 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.238 1.939 7.613 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.146 1.062 7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.741 0.591 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.699 -0.392 8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.027 1.022 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.463 2.844 9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.780 3.367 9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.956 3.498 7.722 1.00 0.00 H new ATOM 300 N ILE A 35 -12.740 -0.424 7.000 1.00 0.00 N ATOM 301 CA ILE A 35 -12.354 -1.754 6.553 1.00 0.00 C ATOM 302 C ILE A 35 -12.294 -2.749 7.708 1.00 0.00 C ATOM 303 O ILE A 35 -12.058 -2.374 8.857 1.00 0.00 O ATOM 304 CB ILE A 35 -10.990 -1.727 5.847 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.044 -0.742 6.527 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.162 -1.377 4.376 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.600 -1.167 6.455 1.00 0.00 C ATOM 0 H ILE A 35 -12.089 0.005 7.658 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.122 -2.078 5.851 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.549 -2.721 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.152 0.238 6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.333 -0.632 7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.187 -1.362 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.795 -2.123 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.627 -0.395 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.977 -0.426 6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.480 -2.133 6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.297 -1.250 5.411 1.00 0.00 H new ATOM 319 N VAL A 36 -12.509 -4.022 7.388 1.00 0.00 N ATOM 320 CA VAL A 36 -12.479 -5.086 8.386 1.00 0.00 C ATOM 321 C VAL A 36 -11.934 -6.383 7.790 1.00 0.00 C ATOM 322 O VAL A 36 -11.817 -6.513 6.575 1.00 0.00 O ATOM 323 CB VAL A 36 -13.881 -5.352 8.968 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.390 -4.131 9.716 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.851 -5.754 7.865 1.00 0.00 C ATOM 0 H VAL A 36 -12.707 -4.343 6.440 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.820 -4.750 9.186 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.809 -6.178 9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.381 -4.338 10.119 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.708 -3.894 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.446 -3.283 9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.835 -5.938 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.920 -4.951 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.493 -6.661 7.378 1.00 0.00 H new ATOM 335 N GLU A 37 -11.601 -7.340 8.650 1.00 0.00 N ATOM 336 CA GLU A 37 -11.070 -8.624 8.197 1.00 0.00 C ATOM 337 C GLU A 37 -12.043 -9.318 7.249 1.00 0.00 C ATOM 338 O GLU A 37 -13.238 -9.415 7.530 1.00 0.00 O ATOM 339 CB GLU A 37 -10.772 -9.527 9.396 1.00 0.00 C ATOM 340 CG GLU A 37 -9.569 -9.081 10.206 1.00 0.00 C ATOM 341 CD GLU A 37 -9.168 -10.092 11.261 1.00 0.00 C ATOM 342 OE1 GLU A 37 -8.606 -11.144 10.891 1.00 0.00 O ATOM 343 OE2 GLU A 37 -9.417 -9.833 12.458 1.00 0.00 O ATOM 0 H GLU A 37 -11.689 -7.253 9.662 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.144 -8.433 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.647 -9.555 10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.605 -10.544 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.728 -8.909 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.793 -8.129 10.687 1.00 0.00 H new ATOM 350 N SER A 38 -11.523 -9.795 6.121 1.00 0.00 N ATOM 351 CA SER A 38 -12.341 -10.477 5.124 1.00 0.00 C ATOM 352 C SER A 38 -12.753 -11.868 5.597 1.00 0.00 C ATOM 353 O SER A 38 -12.117 -12.865 5.258 1.00 0.00 O ATOM 354 CB SER A 38 -11.588 -10.575 3.798 1.00 0.00 C ATOM 355 OG SER A 38 -10.557 -11.546 3.863 1.00 0.00 O ATOM 0 H SER A 38 -10.536 -9.721 5.875 1.00 0.00 H new ATOM 0 HA SER A 38 -13.247 -9.889 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.284 -10.833 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.161 -9.604 3.547 1.00 0.00 H new ATOM 0 HG SER A 38 -10.915 -12.379 4.235 1.00 0.00 H new ATOM 361 N GLY A 39 -13.827 -11.927 6.380 1.00 0.00 N ATOM 362 CA GLY A 39 -14.313 -13.202 6.885 1.00 0.00 C ATOM 363 C GLY A 39 -15.169 -13.949 5.880 1.00 0.00 C ATOM 364 O GLY A 39 -15.569 -15.087 6.124 1.00 0.00 O ATOM 0 H GLY A 39 -14.370 -11.115 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.463 -13.824 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.893 -13.030 7.792 1.00 0.00 H new ATOM 368 N TRP A 40 -15.436 -13.314 4.743 1.00 0.00 N ATOM 369 CA TRP A 40 -16.230 -13.921 3.681 1.00 0.00 C ATOM 370 C TRP A 40 -15.637 -15.271 3.273 1.00 0.00 C ATOM 371 O TRP A 40 -14.800 -15.829 3.982 1.00 0.00 O ATOM 372 CB TRP A 40 -16.250 -12.983 2.476 1.00 0.00 C ATOM 373 CG TRP A 40 -14.885 -12.758 1.898 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.686 -12.892 2.544 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.573 -12.362 0.560 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.655 -12.609 1.688 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.170 -12.279 0.467 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.341 -12.072 -0.567 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.521 -11.921 -0.704 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.697 -11.711 -1.736 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.298 -11.640 -1.797 1.00 0.00 C ATOM 0 H TRP A 40 -15.110 -12.370 4.533 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.245 -14.085 4.043 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.902 -13.398 1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.677 -12.025 2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.570 -13.179 3.579 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.663 -12.640 1.924 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.419 -12.128 -0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.444 -11.866 -0.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.280 -11.480 -2.615 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -12.823 -11.358 -2.725 1.00 0.00 H new ATOM 392 N GLY A 41 -16.051 -15.784 2.115 1.00 0.00 N ATOM 393 CA GLY A 41 -15.518 -17.051 1.640 1.00 0.00 C ATOM 394 C GLY A 41 -14.000 -17.079 1.689 1.00 0.00 C ATOM 395 O GLY A 41 -13.390 -18.143 1.788 1.00 0.00 O ATOM 0 H GLY A 41 -16.740 -15.349 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.916 -17.863 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.852 -17.225 0.617 1.00 0.00 H new ATOM 399 N SER A 42 -13.397 -15.891 1.628 1.00 0.00 N ATOM 400 CA SER A 42 -11.947 -15.736 1.673 1.00 0.00 C ATOM 401 C SER A 42 -11.328 -15.976 0.315 1.00 0.00 C ATOM 402 O SER A 42 -10.332 -16.686 0.179 1.00 0.00 O ATOM 403 CB SER A 42 -11.311 -16.652 2.716 1.00 0.00 C ATOM 404 OG SER A 42 -12.232 -16.986 3.739 1.00 0.00 O ATOM 0 H SER A 42 -13.903 -15.009 1.546 1.00 0.00 H new ATOM 0 HA SER A 42 -11.747 -14.705 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.954 -17.562 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.442 -16.160 3.153 1.00 0.00 H new ATOM 0 HG SER A 42 -12.735 -17.785 3.478 1.00 0.00 H new ATOM 410 N ILE A 43 -11.911 -15.342 -0.681 1.00 0.00 N ATOM 411 CA ILE A 43 -11.417 -15.434 -2.032 1.00 0.00 C ATOM 412 C ILE A 43 -10.017 -14.834 -2.105 1.00 0.00 C ATOM 413 O ILE A 43 -9.144 -15.321 -2.823 1.00 0.00 O ATOM 414 CB ILE A 43 -12.351 -14.690 -2.976 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.767 -15.238 -2.840 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.859 -14.807 -4.396 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.805 -14.387 -3.522 1.00 0.00 C ATOM 0 H ILE A 43 -12.736 -14.752 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.375 -16.482 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.364 -13.633 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.801 -16.244 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.016 -15.323 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.536 -14.271 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.860 -14.377 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.825 -15.858 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.789 -14.835 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.798 -13.387 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.580 -14.322 -4.587 1.00 0.00 H new ATOM 429 N LEU A 44 -9.826 -13.778 -1.322 1.00 0.00 N ATOM 430 CA LEU A 44 -8.554 -13.077 -1.226 1.00 0.00 C ATOM 431 C LEU A 44 -8.417 -12.495 0.182 1.00 0.00 C ATOM 432 O LEU A 44 -9.146 -11.573 0.543 1.00 0.00 O ATOM 433 CB LEU A 44 -8.463 -11.949 -2.262 1.00 0.00 C ATOM 434 CG LEU A 44 -9.132 -12.227 -3.612 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.554 -11.685 -3.624 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.318 -11.615 -4.743 1.00 0.00 C ATOM 0 H LEU A 44 -10.557 -13.382 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.747 -13.782 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.910 -11.052 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.410 -11.727 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.175 -13.306 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.014 -11.891 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.134 -12.166 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.535 -10.609 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.806 -11.821 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.246 -10.537 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.318 -12.048 -4.747 1.00 0.00 H new ATOM 448 N PRO A 45 -7.503 -13.032 1.010 1.00 0.00 N ATOM 449 CA PRO A 45 -7.316 -12.553 2.383 1.00 0.00 C ATOM 450 C PRO A 45 -7.006 -11.061 2.443 1.00 0.00 C ATOM 451 O PRO A 45 -5.845 -10.662 2.507 1.00 0.00 O ATOM 452 CB PRO A 45 -6.126 -13.372 2.906 1.00 0.00 C ATOM 453 CG PRO A 45 -5.497 -13.979 1.696 1.00 0.00 C ATOM 454 CD PRO A 45 -6.599 -14.147 0.691 1.00 0.00 C ATOM 0 HA PRO A 45 -8.222 -12.679 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.418 -12.738 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.456 -14.141 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.707 -13.338 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.039 -14.939 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.227 -14.086 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.095 -15.112 0.792 1.00 0.00 H new ATOM 462 N THR A 46 -8.054 -10.243 2.426 1.00 0.00 N ATOM 463 CA THR A 46 -7.897 -8.793 2.477 1.00 0.00 C ATOM 464 C THR A 46 -8.893 -8.183 3.468 1.00 0.00 C ATOM 465 O THR A 46 -9.339 -8.854 4.397 1.00 0.00 O ATOM 466 CB THR A 46 -8.074 -8.182 1.070 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.342 -7.564 0.934 1.00 0.00 O ATOM 468 CG2 THR A 46 -7.946 -9.184 -0.058 1.00 0.00 C ATOM 0 H THR A 46 -9.022 -10.560 2.377 1.00 0.00 H new ATOM 0 HA THR A 46 -6.889 -8.562 2.823 1.00 0.00 H new ATOM 0 HB THR A 46 -7.263 -7.458 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.240 -6.706 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.083 -8.676 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.957 -9.641 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.706 -9.957 0.054 1.00 0.00 H new ATOM 476 N VAL A 47 -9.242 -6.913 3.266 1.00 0.00 N ATOM 477 CA VAL A 47 -10.190 -6.236 4.142 1.00 0.00 C ATOM 478 C VAL A 47 -11.518 -6.001 3.429 1.00 0.00 C ATOM 479 O VAL A 47 -11.598 -6.092 2.203 1.00 0.00 O ATOM 480 CB VAL A 47 -9.645 -4.886 4.647 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.791 -5.083 5.889 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.858 -4.174 3.555 1.00 0.00 C ATOM 0 H VAL A 47 -8.883 -6.336 2.505 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.345 -6.891 5.000 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.494 -4.256 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.416 -4.118 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.393 -5.537 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.951 -5.736 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.484 -3.224 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.018 -4.797 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.507 -3.991 2.699 1.00 0.00 H new ATOM 492 N ILE A 48 -12.560 -5.707 4.201 1.00 0.00 N ATOM 493 CA ILE A 48 -13.886 -5.468 3.638 1.00 0.00 C ATOM 494 C ILE A 48 -14.415 -4.091 4.012 1.00 0.00 C ATOM 495 O ILE A 48 -14.430 -3.724 5.187 1.00 0.00 O ATOM 496 CB ILE A 48 -14.922 -6.510 4.121 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.258 -7.655 4.880 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.719 -7.049 2.950 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.254 -8.622 5.484 1.00 0.00 C ATOM 0 H ILE A 48 -12.513 -5.628 5.217 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.761 -5.545 2.558 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.600 -6.004 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.598 -8.198 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.633 -7.244 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.443 -7.781 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.244 -6.230 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.044 -7.525 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.720 -9.413 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.898 -8.091 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.862 -9.059 4.692 1.00 0.00 H new ATOM 511 N ILE A 49 -14.887 -3.348 3.018 1.00 0.00 N ATOM 512 CA ILE A 49 -15.457 -2.047 3.261 1.00 0.00 C ATOM 513 C ILE A 49 -16.778 -2.217 3.980 1.00 0.00 C ATOM 514 O ILE A 49 -17.829 -2.376 3.360 1.00 0.00 O ATOM 515 CB ILE A 49 -15.662 -1.286 1.949 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.337 -1.193 1.204 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.227 0.095 2.216 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.446 -0.491 -0.125 1.00 0.00 C ATOM 0 H ILE A 49 -14.882 -3.633 2.039 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.772 -1.466 3.879 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.379 -1.826 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.615 -0.666 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.947 -2.198 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.366 0.620 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.187 0.003 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.535 0.656 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.466 -0.460 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.144 -1.030 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.807 0.526 0.029 1.00 0.00 H new ATOM 530 N ALA A 50 -16.702 -2.220 5.295 1.00 0.00 N ATOM 531 CA ALA A 50 -17.865 -2.408 6.135 1.00 0.00 C ATOM 532 C ALA A 50 -18.604 -1.099 6.379 1.00 0.00 C ATOM 533 O ALA A 50 -19.747 -1.099 6.838 1.00 0.00 O ATOM 534 CB ALA A 50 -17.431 -3.043 7.441 1.00 0.00 C ATOM 0 H ALA A 50 -15.831 -2.092 5.811 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.565 -3.069 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.301 -3.189 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.963 -4.007 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.716 -2.391 7.943 1.00 0.00 H new ATOM 540 N ASN A 51 -17.953 0.018 6.069 1.00 0.00 N ATOM 541 CA ASN A 51 -18.566 1.327 6.254 1.00 0.00 C ATOM 542 C ASN A 51 -17.906 2.373 5.360 1.00 0.00 C ATOM 543 O ASN A 51 -16.782 2.182 4.893 1.00 0.00 O ATOM 544 CB ASN A 51 -18.480 1.753 7.720 1.00 0.00 C ATOM 545 CG ASN A 51 -19.844 1.859 8.376 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.738 1.057 8.107 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.009 2.854 9.240 1.00 0.00 N ATOM 0 H ASN A 51 -17.006 0.042 5.691 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.616 1.251 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.872 1.034 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.973 2.716 7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.905 2.977 9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.239 3.495 9.432 1.00 0.00 H new ATOM 554 N MET A 52 -18.614 3.472 5.119 1.00 0.00 N ATOM 555 CA MET A 52 -18.096 4.539 4.270 1.00 0.00 C ATOM 556 C MET A 52 -18.678 5.895 4.659 1.00 0.00 C ATOM 557 O MET A 52 -19.869 6.011 4.949 1.00 0.00 O ATOM 558 CB MET A 52 -18.412 4.243 2.806 1.00 0.00 C ATOM 559 CG MET A 52 -17.844 5.269 1.837 1.00 0.00 C ATOM 560 SD MET A 52 -18.651 5.223 0.223 1.00 0.00 S ATOM 561 CE MET A 52 -19.066 3.486 0.091 1.00 0.00 C ATOM 0 H MET A 52 -19.545 3.647 5.498 1.00 0.00 H new ATOM 0 HA MET A 52 -17.016 4.581 4.410 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.019 3.259 2.551 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.494 4.197 2.679 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.952 6.266 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.776 5.091 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.408 3.269 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.185 2.884 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.858 3.246 0.800 1.00 0.00 H new ATOM 571 N MET A 53 -17.831 6.920 4.649 1.00 0.00 N ATOM 572 CA MET A 53 -18.262 8.272 4.987 1.00 0.00 C ATOM 573 C MET A 53 -19.065 8.876 3.839 1.00 0.00 C ATOM 574 O MET A 53 -18.497 9.409 2.887 1.00 0.00 O ATOM 575 CB MET A 53 -17.050 9.158 5.289 1.00 0.00 C ATOM 576 CG MET A 53 -16.662 9.193 6.759 1.00 0.00 C ATOM 577 SD MET A 53 -15.849 10.733 7.226 1.00 0.00 S ATOM 578 CE MET A 53 -14.127 10.302 6.983 1.00 0.00 C ATOM 0 H MET A 53 -16.843 6.840 4.411 1.00 0.00 H new ATOM 0 HA MET A 53 -18.894 8.218 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.199 8.803 4.707 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.263 10.174 4.955 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.555 9.058 7.370 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.998 8.356 6.976 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.499 10.956 7.589 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.966 9.266 7.281 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.867 10.422 5.931 1.00 0.00 H new ATOM 588 N HIS A 54 -20.387 8.781 3.932 1.00 0.00 N ATOM 589 CA HIS A 54 -21.265 9.311 2.897 1.00 0.00 C ATOM 590 C HIS A 54 -21.106 10.824 2.768 1.00 0.00 C ATOM 591 O HIS A 54 -21.920 11.588 3.286 1.00 0.00 O ATOM 592 CB HIS A 54 -22.721 8.966 3.208 1.00 0.00 C ATOM 593 CG HIS A 54 -23.179 7.687 2.578 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.640 7.610 1.281 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.245 6.428 3.073 1.00 0.00 C ATOM 596 CE1 HIS A 54 -23.972 6.361 1.006 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.740 5.625 2.076 1.00 0.00 N ATOM 0 H HIS A 54 -20.873 8.342 4.714 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.984 8.852 1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.847 8.895 4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.360 9.780 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.961 6.114 4.067 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.366 6.004 0.066 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.902 4.621 2.150 1.00 0.00 H new ATOM 606 N GLY A 55 -20.054 11.250 2.074 1.00 0.00 N ATOM 607 CA GLY A 55 -19.815 12.669 1.894 1.00 0.00 C ATOM 608 C GLY A 55 -18.393 12.960 1.466 1.00 0.00 C ATOM 609 O GLY A 55 -18.135 13.941 0.768 1.00 0.00 O ATOM 0 H GLY A 55 -19.365 10.639 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.505 13.060 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.026 13.192 2.827 1.00 0.00 H new ATOM 613 N GLY A 56 -17.471 12.103 1.882 1.00 0.00 N ATOM 614 CA GLY A 56 -16.079 12.283 1.525 1.00 0.00 C ATOM 615 C GLY A 56 -15.807 11.916 0.079 1.00 0.00 C ATOM 616 O GLY A 56 -16.741 11.759 -0.708 1.00 0.00 O ATOM 0 H GLY A 56 -17.663 11.285 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.793 13.321 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.456 11.670 2.177 1.00 0.00 H new ATOM 620 N PRO A 57 -14.530 11.768 -0.304 1.00 0.00 N ATOM 621 CA PRO A 57 -14.154 11.412 -1.674 1.00 0.00 C ATOM 622 C PRO A 57 -14.543 9.980 -2.031 1.00 0.00 C ATOM 623 O PRO A 57 -14.580 9.615 -3.208 1.00 0.00 O ATOM 624 CB PRO A 57 -12.633 11.573 -1.680 1.00 0.00 C ATOM 625 CG PRO A 57 -12.228 11.377 -0.261 1.00 0.00 C ATOM 626 CD PRO A 57 -13.353 11.932 0.568 1.00 0.00 C ATOM 0 HA PRO A 57 -14.663 12.034 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.159 10.839 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.340 12.558 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.066 10.321 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.293 11.894 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.468 11.388 1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.185 12.978 0.825 1.00 0.00 H new ATOM 634 N ALA A 58 -14.832 9.172 -1.016 1.00 0.00 N ATOM 635 CA ALA A 58 -15.214 7.788 -1.232 1.00 0.00 C ATOM 636 C ALA A 58 -16.604 7.703 -1.848 1.00 0.00 C ATOM 637 O ALA A 58 -16.816 7.009 -2.841 1.00 0.00 O ATOM 638 CB ALA A 58 -15.157 7.013 0.076 1.00 0.00 C ATOM 0 H ALA A 58 -14.808 9.456 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.507 7.340 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.446 5.977 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.142 7.044 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.842 7.462 0.795 1.00 0.00 H new ATOM 644 N GLU A 59 -17.546 8.424 -1.251 1.00 0.00 N ATOM 645 CA GLU A 59 -18.919 8.443 -1.739 1.00 0.00 C ATOM 646 C GLU A 59 -19.036 9.332 -2.972 1.00 0.00 C ATOM 647 O GLU A 59 -19.814 9.051 -3.883 1.00 0.00 O ATOM 648 CB GLU A 59 -19.863 8.941 -0.642 1.00 0.00 C ATOM 649 CG GLU A 59 -21.333 8.808 -0.997 1.00 0.00 C ATOM 650 CD GLU A 59 -21.929 10.106 -1.507 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.248 10.806 -2.287 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.075 10.423 -1.126 1.00 0.00 O ATOM 0 H GLU A 59 -17.383 9.004 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.201 7.427 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.667 8.384 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.642 9.987 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.451 8.035 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.887 8.479 -0.118 1.00 0.00 H new ATOM 659 N LYS A 60 -18.257 10.411 -2.990 1.00 0.00 N ATOM 660 CA LYS A 60 -18.268 11.347 -4.103 1.00 0.00 C ATOM 661 C LYS A 60 -17.902 10.648 -5.409 1.00 0.00 C ATOM 662 O LYS A 60 -18.571 10.823 -6.428 1.00 0.00 O ATOM 663 CB LYS A 60 -17.296 12.498 -3.838 1.00 0.00 C ATOM 664 CG LYS A 60 -17.880 13.599 -2.968 1.00 0.00 C ATOM 665 CD LYS A 60 -17.133 14.911 -3.154 1.00 0.00 C ATOM 666 CE LYS A 60 -18.009 16.107 -2.815 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.360 17.006 -1.821 1.00 0.00 N ATOM 0 H LYS A 60 -17.609 10.656 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.278 11.746 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.401 12.103 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.984 12.926 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.932 13.740 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.836 13.299 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.246 14.918 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.789 14.992 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.226 16.668 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.963 15.758 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.989 17.809 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.176 16.478 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.462 17.360 -2.207 1.00 0.00 H new ATOM 681 N SER A 61 -16.834 9.857 -5.371 1.00 0.00 N ATOM 682 CA SER A 61 -16.378 9.132 -6.551 1.00 0.00 C ATOM 683 C SER A 61 -17.436 8.142 -7.025 1.00 0.00 C ATOM 684 O SER A 61 -17.976 8.274 -8.123 1.00 0.00 O ATOM 685 CB SER A 61 -15.074 8.391 -6.247 1.00 0.00 C ATOM 686 OG SER A 61 -14.491 7.877 -7.431 1.00 0.00 O ATOM 0 H SER A 61 -16.269 9.702 -4.536 1.00 0.00 H new ATOM 0 HA SER A 61 -16.202 9.857 -7.345 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.374 9.067 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.269 7.576 -5.551 1.00 0.00 H new ATOM 0 HG SER A 61 -13.600 8.266 -7.552 1.00 0.00 H new ATOM 692 N GLY A 62 -17.722 7.147 -6.192 1.00 0.00 N ATOM 693 CA GLY A 62 -18.708 6.144 -6.544 1.00 0.00 C ATOM 694 C GLY A 62 -18.068 4.807 -6.851 1.00 0.00 C ATOM 695 O GLY A 62 -18.680 3.756 -6.661 1.00 0.00 O ATOM 0 H GLY A 62 -17.287 7.018 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.416 6.028 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.276 6.482 -7.410 1.00 0.00 H new ATOM 699 N LYS A 63 -16.827 4.851 -7.322 1.00 0.00 N ATOM 700 CA LYS A 63 -16.088 3.641 -7.653 1.00 0.00 C ATOM 701 C LYS A 63 -15.971 2.726 -6.439 1.00 0.00 C ATOM 702 O LYS A 63 -15.844 1.508 -6.575 1.00 0.00 O ATOM 703 CB LYS A 63 -14.704 4.009 -8.178 1.00 0.00 C ATOM 704 CG LYS A 63 -14.761 4.840 -9.447 1.00 0.00 C ATOM 705 CD LYS A 63 -13.391 4.983 -10.078 1.00 0.00 C ATOM 706 CE LYS A 63 -12.874 3.650 -10.598 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.845 3.608 -12.085 1.00 0.00 N ATOM 0 H LYS A 63 -16.311 5.716 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.632 3.102 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.164 4.563 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.139 3.097 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.444 4.374 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.163 5.827 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.440 5.700 -10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.692 5.384 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.871 3.474 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.506 2.845 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.487 2.684 -12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.806 3.751 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.221 4.360 -12.441 1.00 0.00 H new ATOM 721 N LEU A 64 -16.025 3.322 -5.250 1.00 0.00 N ATOM 722 CA LEU A 64 -15.937 2.564 -4.009 1.00 0.00 C ATOM 723 C LEU A 64 -17.320 2.391 -3.390 1.00 0.00 C ATOM 724 O LEU A 64 -18.041 3.365 -3.176 1.00 0.00 O ATOM 725 CB LEU A 64 -15.010 3.270 -3.016 1.00 0.00 C ATOM 726 CG LEU A 64 -13.517 3.078 -3.276 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.693 3.755 -2.191 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.178 1.597 -3.359 1.00 0.00 C ATOM 0 H LEU A 64 -16.129 4.329 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.527 1.580 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.232 4.337 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.237 2.911 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.272 3.542 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.632 3.607 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.915 4.822 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.941 3.322 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.111 1.478 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.439 1.111 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.741 1.140 -4.173 1.00 0.00 H new ATOM 740 N ASN A 65 -17.686 1.145 -3.108 1.00 0.00 N ATOM 741 CA ASN A 65 -18.986 0.850 -2.519 1.00 0.00 C ATOM 742 C ASN A 65 -18.875 -0.270 -1.491 1.00 0.00 C ATOM 743 O ASN A 65 -18.147 -1.241 -1.694 1.00 0.00 O ATOM 744 CB ASN A 65 -19.986 0.462 -3.609 1.00 0.00 C ATOM 745 CG ASN A 65 -19.431 -0.583 -4.556 1.00 0.00 C ATOM 746 OD1 ASN A 65 -19.840 -1.744 -4.528 1.00 0.00 O ATOM 747 ND2 ASN A 65 -18.491 -0.177 -5.402 1.00 0.00 N ATOM 0 H ASN A 65 -17.102 0.326 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.341 1.748 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.896 0.081 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.265 1.350 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.079 -0.837 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.181 0.795 -5.392 1.00 0.00 H new ATOM 754 N ILE A 66 -19.602 -0.128 -0.388 1.00 0.00 N ATOM 755 CA ILE A 66 -19.586 -1.124 0.673 1.00 0.00 C ATOM 756 C ILE A 66 -19.781 -2.533 0.124 1.00 0.00 C ATOM 757 O ILE A 66 -20.496 -2.739 -0.857 1.00 0.00 O ATOM 758 CB ILE A 66 -20.666 -0.805 1.717 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.323 0.521 2.382 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.792 -1.917 2.755 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.106 0.451 3.272 1.00 0.00 C ATOM 0 H ILE A 66 -20.211 0.670 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.606 -1.087 1.149 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.632 -0.730 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.156 1.273 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.177 0.854 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.566 -1.655 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.060 -2.850 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.841 -2.041 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.920 1.431 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.277 -0.277 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.241 0.149 2.682 1.00 0.00 H new ATOM 773 N GLY A 67 -19.131 -3.497 0.765 1.00 0.00 N ATOM 774 CA GLY A 67 -19.234 -4.878 0.334 1.00 0.00 C ATOM 775 C GLY A 67 -18.139 -5.273 -0.643 1.00 0.00 C ATOM 776 O GLY A 67 -18.208 -6.334 -1.261 1.00 0.00 O ATOM 0 H GLY A 67 -18.533 -3.346 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.189 -5.530 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.206 -5.037 -0.133 1.00 0.00 H new ATOM 780 N ASP A 68 -17.125 -4.420 -0.787 1.00 0.00 N ATOM 781 CA ASP A 68 -16.019 -4.699 -1.697 1.00 0.00 C ATOM 782 C ASP A 68 -14.769 -5.112 -0.927 1.00 0.00 C ATOM 783 O ASP A 68 -14.581 -4.722 0.225 1.00 0.00 O ATOM 784 CB ASP A 68 -15.719 -3.473 -2.559 1.00 0.00 C ATOM 785 CG ASP A 68 -16.921 -3.027 -3.368 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.055 -3.396 -3.000 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.727 -2.307 -4.372 1.00 0.00 O ATOM 0 H ASP A 68 -17.048 -3.534 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.314 -5.526 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.391 -2.654 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.894 -3.700 -3.234 1.00 0.00 H new ATOM 792 N GLN A 69 -13.917 -5.903 -1.573 1.00 0.00 N ATOM 793 CA GLN A 69 -12.683 -6.369 -0.949 1.00 0.00 C ATOM 794 C GLN A 69 -11.470 -5.666 -1.548 1.00 0.00 C ATOM 795 O GLN A 69 -11.170 -5.823 -2.731 1.00 0.00 O ATOM 796 CB GLN A 69 -12.541 -7.882 -1.115 1.00 0.00 C ATOM 797 CG GLN A 69 -13.150 -8.675 0.026 1.00 0.00 C ATOM 798 CD GLN A 69 -12.204 -8.837 1.197 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.491 -8.389 2.307 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.068 -9.480 0.956 1.00 0.00 N ATOM 0 H GLN A 69 -14.058 -6.234 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.732 -6.130 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.014 -8.183 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.484 -8.133 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.058 -8.177 0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.443 -9.660 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.871 -9.835 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.392 -9.619 1.707 1.00 0.00 H new ATOM 809 N ILE A 70 -10.777 -4.887 -0.723 1.00 0.00 N ATOM 810 CA ILE A 70 -9.598 -4.160 -1.173 1.00 0.00 C ATOM 811 C ILE A 70 -8.346 -5.026 -1.067 1.00 0.00 C ATOM 812 O ILE A 70 -8.037 -5.556 -0.001 1.00 0.00 O ATOM 813 CB ILE A 70 -9.388 -2.868 -0.358 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.708 -2.103 -0.214 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.326 -1.992 -1.011 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.974 -1.617 1.194 1.00 0.00 C ATOM 0 H ILE A 70 -11.012 -4.744 0.259 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.767 -3.897 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.041 -3.141 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.698 -1.247 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.529 -2.748 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.191 -1.085 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.383 -2.537 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.643 -1.727 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.925 -1.084 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.016 -2.470 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.173 -0.946 1.505 1.00 0.00 H new ATOM 828 N MET A 71 -7.630 -5.169 -2.181 1.00 0.00 N ATOM 829 CA MET A 71 -6.416 -5.979 -2.204 1.00 0.00 C ATOM 830 C MET A 71 -5.187 -5.144 -1.866 1.00 0.00 C ATOM 831 O MET A 71 -4.516 -5.392 -0.864 1.00 0.00 O ATOM 832 CB MET A 71 -6.234 -6.636 -3.574 1.00 0.00 C ATOM 833 CG MET A 71 -7.141 -7.832 -3.802 1.00 0.00 C ATOM 834 SD MET A 71 -8.890 -7.395 -3.781 1.00 0.00 S ATOM 835 CE MET A 71 -9.590 -8.848 -3.005 1.00 0.00 C ATOM 0 H MET A 71 -7.868 -4.737 -3.074 1.00 0.00 H new ATOM 0 HA MET A 71 -6.524 -6.755 -1.446 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.423 -5.895 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.196 -6.952 -3.681 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.897 -8.290 -4.761 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.949 -8.580 -3.033 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.460 -9.180 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.845 -9.644 -2.984 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.892 -8.606 -1.986 1.00 0.00 H new ATOM 845 N SER A 72 -4.885 -4.159 -2.708 1.00 0.00 N ATOM 846 CA SER A 72 -3.724 -3.301 -2.488 1.00 0.00 C ATOM 847 C SER A 72 -4.039 -1.844 -2.811 1.00 0.00 C ATOM 848 O SER A 72 -4.811 -1.552 -3.723 1.00 0.00 O ATOM 849 CB SER A 72 -2.545 -3.779 -3.339 1.00 0.00 C ATOM 850 OG SER A 72 -2.724 -3.426 -4.700 1.00 0.00 O ATOM 0 H SER A 72 -5.425 -3.936 -3.544 1.00 0.00 H new ATOM 0 HA SER A 72 -3.458 -3.365 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.620 -3.340 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.443 -4.861 -3.251 1.00 0.00 H new ATOM 0 HG SER A 72 -1.957 -3.741 -5.223 1.00 0.00 H new ATOM 856 N ILE A 73 -3.429 -0.935 -2.056 1.00 0.00 N ATOM 857 CA ILE A 73 -3.634 0.489 -2.253 1.00 0.00 C ATOM 858 C ILE A 73 -2.342 1.173 -2.695 1.00 0.00 C ATOM 859 O ILE A 73 -1.359 1.204 -1.952 1.00 0.00 O ATOM 860 CB ILE A 73 -4.143 1.157 -0.962 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.452 0.507 -0.509 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.328 2.650 -1.171 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.378 -0.083 0.879 1.00 0.00 C ATOM 0 H ILE A 73 -2.786 -1.165 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.384 0.602 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.398 1.014 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.248 1.251 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.723 -0.277 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.688 3.105 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.375 3.099 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.054 2.819 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.339 -0.527 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.604 -0.850 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.137 0.702 1.596 1.00 0.00 H new ATOM 875 N ASN A 74 -2.353 1.720 -3.904 1.00 0.00 N ATOM 876 CA ASN A 74 -1.185 2.407 -4.448 1.00 0.00 C ATOM 877 C ASN A 74 0.047 1.506 -4.432 1.00 0.00 C ATOM 878 O ASN A 74 1.177 1.987 -4.357 1.00 0.00 O ATOM 879 CB ASN A 74 -0.905 3.684 -3.656 1.00 0.00 C ATOM 880 CG ASN A 74 -2.108 4.607 -3.605 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.570 5.100 -4.635 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.619 4.846 -2.404 1.00 0.00 N ATOM 0 H ASN A 74 -3.159 1.702 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.404 2.666 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.609 3.421 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.064 4.211 -4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.428 5.460 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.203 4.416 -1.578 1.00 0.00 H new ATOM 889 N GLY A 75 -0.176 0.197 -4.505 1.00 0.00 N ATOM 890 CA GLY A 75 0.929 -0.743 -4.501 1.00 0.00 C ATOM 891 C GLY A 75 1.030 -1.526 -3.206 1.00 0.00 C ATOM 892 O GLY A 75 1.517 -2.657 -3.194 1.00 0.00 O ATOM 0 H GLY A 75 -1.101 -0.228 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.812 -1.438 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.861 -0.202 -4.667 1.00 0.00 H new ATOM 896 N THR A 76 0.569 -0.926 -2.113 1.00 0.00 N ATOM 897 CA THR A 76 0.612 -1.579 -0.812 1.00 0.00 C ATOM 898 C THR A 76 -0.302 -2.798 -0.785 1.00 0.00 C ATOM 899 O THR A 76 -1.515 -2.673 -0.614 1.00 0.00 O ATOM 900 CB THR A 76 0.209 -0.600 0.286 1.00 0.00 C ATOM 901 OG1 THR A 76 0.761 0.682 0.042 1.00 0.00 O ATOM 902 CG2 THR A 76 0.650 -1.036 1.666 1.00 0.00 C ATOM 0 H THR A 76 0.162 0.009 -2.103 1.00 0.00 H new ATOM 0 HA THR A 76 1.635 -1.911 -0.634 1.00 0.00 H new ATOM 0 HB THR A 76 -0.880 -0.571 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.152 1.197 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.332 -0.296 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.200 -2.000 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.736 -1.127 1.689 1.00 0.00 H new ATOM 910 N SER A 77 0.288 -3.975 -0.960 1.00 0.00 N ATOM 911 CA SER A 77 -0.470 -5.220 -0.963 1.00 0.00 C ATOM 912 C SER A 77 -1.042 -5.522 0.420 1.00 0.00 C ATOM 913 O SER A 77 -0.310 -5.580 1.408 1.00 0.00 O ATOM 914 CB SER A 77 0.415 -6.379 -1.424 1.00 0.00 C ATOM 915 OG SER A 77 0.992 -6.108 -2.691 1.00 0.00 O ATOM 0 H SER A 77 1.291 -4.093 -1.102 1.00 0.00 H new ATOM 0 HA SER A 77 -1.301 -5.104 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.203 -6.552 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.176 -7.293 -1.478 1.00 0.00 H new ATOM 0 HG SER A 77 1.554 -6.863 -2.963 1.00 0.00 H new ATOM 921 N LEU A 78 -2.355 -5.722 0.478 1.00 0.00 N ATOM 922 CA LEU A 78 -3.032 -6.028 1.732 1.00 0.00 C ATOM 923 C LEU A 78 -3.417 -7.503 1.798 1.00 0.00 C ATOM 924 O LEU A 78 -3.652 -8.047 2.877 1.00 0.00 O ATOM 925 CB LEU A 78 -4.284 -5.166 1.892 1.00 0.00 C ATOM 926 CG LEU A 78 -4.108 -3.689 1.544 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.391 -2.919 1.821 1.00 0.00 C ATOM 928 CD2 LEU A 78 -2.947 -3.096 2.326 1.00 0.00 C ATOM 0 H LEU A 78 -2.973 -5.677 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.340 -5.808 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.072 -5.579 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.627 -5.241 2.924 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.884 -3.608 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.247 -1.869 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.200 -3.331 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.646 -3.005 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.834 -2.043 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.143 -3.188 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.030 -3.631 2.078 1.00 0.00 H new ATOM 940 N VAL A 79 -3.490 -8.145 0.635 1.00 0.00 N ATOM 941 CA VAL A 79 -3.855 -9.553 0.558 1.00 0.00 C ATOM 942 C VAL A 79 -2.903 -10.423 1.374 1.00 0.00 C ATOM 943 O VAL A 79 -1.935 -10.966 0.840 1.00 0.00 O ATOM 944 CB VAL A 79 -3.862 -10.051 -0.899 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.432 -11.459 -0.982 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.647 -9.096 -1.786 1.00 0.00 C ATOM 0 H VAL A 79 -3.300 -7.710 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.860 -9.637 0.972 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.833 -10.081 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.428 -11.792 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.822 -12.134 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.454 -11.460 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.641 -9.464 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.675 -9.031 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.188 -8.108 -1.753 1.00 0.00 H new ATOM 956 N GLY A 80 -3.182 -10.558 2.668 1.00 0.00 N ATOM 957 CA GLY A 80 -2.337 -11.372 3.523 1.00 0.00 C ATOM 958 C GLY A 80 -2.188 -10.808 4.925 1.00 0.00 C ATOM 959 O GLY A 80 -2.219 -11.553 5.903 1.00 0.00 O ATOM 0 H GLY A 80 -3.975 -10.120 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.754 -12.377 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.351 -11.463 3.068 1.00 0.00 H new ATOM 963 N LEU A 81 -2.018 -9.493 5.023 1.00 0.00 N ATOM 964 CA LEU A 81 -1.856 -8.843 6.323 1.00 0.00 C ATOM 965 C LEU A 81 -3.193 -8.698 7.044 1.00 0.00 C ATOM 966 O LEU A 81 -4.255 -8.754 6.424 1.00 0.00 O ATOM 967 CB LEU A 81 -1.196 -7.468 6.169 1.00 0.00 C ATOM 968 CG LEU A 81 -1.589 -6.685 4.914 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.809 -5.217 5.249 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.522 -6.838 3.838 1.00 0.00 C ATOM 0 H LEU A 81 -1.989 -8.859 4.225 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.208 -9.480 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.443 -6.866 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.114 -7.602 6.169 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.525 -7.091 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.088 -4.675 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.607 -5.128 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.890 -4.795 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.816 -6.276 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.428 -6.457 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.414 -7.891 3.580 1.00 0.00 H new ATOM 982 N PRO A 82 -3.153 -8.513 8.377 1.00 0.00 N ATOM 983 CA PRO A 82 -4.362 -8.362 9.198 1.00 0.00 C ATOM 984 C PRO A 82 -5.109 -7.063 8.912 1.00 0.00 C ATOM 985 O PRO A 82 -4.822 -6.370 7.938 1.00 0.00 O ATOM 986 CB PRO A 82 -3.822 -8.359 10.630 1.00 0.00 C ATOM 987 CG PRO A 82 -2.415 -7.890 10.496 1.00 0.00 C ATOM 988 CD PRO A 82 -1.925 -8.439 9.190 1.00 0.00 C ATOM 0 HA PRO A 82 -5.085 -9.153 8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.402 -7.696 11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.869 -9.353 11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.363 -6.801 10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.803 -8.247 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.178 -7.789 8.734 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.463 -9.419 9.312 1.00 0.00 H new ATOM 996 N LEU A 83 -6.074 -6.745 9.771 1.00 0.00 N ATOM 997 CA LEU A 83 -6.875 -5.534 9.619 1.00 0.00 C ATOM 998 C LEU A 83 -6.112 -4.303 10.093 1.00 0.00 C ATOM 999 O LEU A 83 -6.039 -3.298 9.387 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.180 -5.665 10.411 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.371 -4.855 9.883 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -10.269 -4.428 11.034 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -8.908 -3.638 9.092 1.00 0.00 C ATOM 0 H LEU A 83 -6.321 -7.312 10.582 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.100 -5.412 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.463 -6.717 10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.989 -5.363 11.441 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.939 -5.495 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.110 -3.854 10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.641 -5.312 11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.700 -3.812 11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.776 -3.086 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.309 -2.993 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.307 -3.963 8.243 1.00 0.00 H new ATOM 1015 N SER A 84 -5.551 -4.385 11.295 1.00 0.00 N ATOM 1016 CA SER A 84 -4.800 -3.270 11.865 1.00 0.00 C ATOM 1017 C SER A 84 -3.728 -2.795 10.892 1.00 0.00 C ATOM 1018 O SER A 84 -3.498 -1.595 10.737 1.00 0.00 O ATOM 1019 CB SER A 84 -4.159 -3.685 13.188 1.00 0.00 C ATOM 1020 OG SER A 84 -3.272 -2.686 13.660 1.00 0.00 O ATOM 0 H SER A 84 -5.601 -5.210 11.893 1.00 0.00 H new ATOM 0 HA SER A 84 -5.492 -2.448 12.050 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.936 -3.867 13.931 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.619 -4.622 13.056 1.00 0.00 H new ATOM 0 HG SER A 84 -2.876 -2.975 14.509 1.00 0.00 H new ATOM 1026 N THR A 85 -3.082 -3.746 10.230 1.00 0.00 N ATOM 1027 CA THR A 85 -2.044 -3.426 9.265 1.00 0.00 C ATOM 1028 C THR A 85 -2.623 -2.630 8.100 1.00 0.00 C ATOM 1029 O THR A 85 -2.089 -1.585 7.730 1.00 0.00 O ATOM 1030 CB THR A 85 -1.375 -4.703 8.756 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.766 -5.414 9.821 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.313 -4.449 7.710 1.00 0.00 C ATOM 0 H THR A 85 -3.260 -4.744 10.345 1.00 0.00 H new ATOM 0 HA THR A 85 -1.291 -2.814 9.761 1.00 0.00 H new ATOM 0 HB THR A 85 -2.178 -5.284 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.094 -6.030 9.461 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.120 -5.398 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.761 -3.950 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.468 -3.816 8.131 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.725 -3.122 7.529 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.368 -2.440 6.410 1.00 0.00 C ATOM 1042 C CYS A 86 -4.757 -1.018 6.796 1.00 0.00 C ATOM 1043 O CYS A 86 -4.469 -0.066 6.070 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.607 -3.213 5.953 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.273 -4.921 5.464 1.00 0.00 S ATOM 0 H CYS A 86 -4.186 -3.984 7.822 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.655 -2.395 5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.339 -3.214 6.760 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.060 -2.688 5.112 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.712 -5.553 6.452 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.402 -0.879 7.951 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.817 0.431 8.438 1.00 0.00 C ATOM 1053 C GLN A 87 -4.643 1.401 8.395 1.00 0.00 C ATOM 1054 O GLN A 87 -4.780 2.545 7.957 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.365 0.325 9.861 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.852 0.015 9.914 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.276 -0.594 11.237 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.104 -0.033 11.954 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.707 -1.748 11.564 1.00 0.00 N ATOM 0 H GLN A 87 -5.648 -1.656 8.565 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.609 0.808 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.820 -0.453 10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.178 1.262 10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.416 0.932 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.105 -0.671 9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.025 -2.176 10.938 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.952 -2.207 12.442 1.00 0.00 H new ATOM 1068 N SER A 88 -3.483 0.927 8.840 1.00 0.00 N ATOM 1069 CA SER A 88 -2.278 1.739 8.840 1.00 0.00 C ATOM 1070 C SER A 88 -1.916 2.160 7.418 1.00 0.00 C ATOM 1071 O SER A 88 -1.452 3.279 7.185 1.00 0.00 O ATOM 1072 CB SER A 88 -1.117 0.965 9.466 1.00 0.00 C ATOM 1073 OG SER A 88 -1.256 0.888 10.875 1.00 0.00 O ATOM 0 H SER A 88 -3.355 -0.017 9.205 1.00 0.00 H new ATOM 0 HA SER A 88 -2.467 2.634 9.432 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.077 -0.040 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.174 1.452 9.216 1.00 0.00 H new ATOM 0 HG SER A 88 -0.502 0.387 11.251 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.132 1.250 6.471 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.827 1.511 5.067 1.00 0.00 C ATOM 1081 C ILE A 89 -2.587 2.723 4.539 1.00 0.00 C ATOM 1082 O ILE A 89 -2.004 3.604 3.908 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.179 0.298 4.182 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.589 -0.988 4.765 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.690 0.520 2.758 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.085 -1.085 4.638 1.00 0.00 C ATOM 0 H ILE A 89 -2.518 0.323 6.651 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.756 1.706 5.020 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.264 0.191 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.860 -1.055 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.042 -1.844 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.946 -0.345 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.165 1.410 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.608 0.654 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.257 -2.024 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.194 -1.051 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.379 -0.250 5.164 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.893 2.750 4.776 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.730 3.835 4.305 1.00 0.00 C ATOM 1100 C ILE A 90 -4.528 5.112 5.112 1.00 0.00 C ATOM 1101 O ILE A 90 -4.318 6.184 4.545 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.211 3.439 4.352 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.419 2.054 3.732 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.037 4.475 3.625 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.853 1.574 3.790 1.00 0.00 C ATOM 0 H ILE A 90 -4.392 2.027 5.294 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.433 4.032 3.275 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.533 3.394 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.094 2.078 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.783 1.335 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.089 4.191 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.907 5.446 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.712 4.536 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.925 0.587 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.176 1.517 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.492 2.272 3.249 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.598 5.006 6.433 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.422 6.173 7.290 1.00 0.00 C ATOM 1119 C LYS A 91 -3.086 6.852 7.012 1.00 0.00 C ATOM 1120 O LYS A 91 -2.918 8.047 7.262 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.522 5.787 8.763 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.507 4.742 9.179 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.315 5.368 9.889 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.148 4.813 11.293 1.00 0.00 C ATOM 1125 NZ LYS A 91 -1.189 5.618 12.099 1.00 0.00 N ATOM 0 H LYS A 91 -4.774 4.133 6.931 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.222 6.877 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.387 6.679 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.525 5.410 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.982 4.015 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.163 4.198 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.408 5.182 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.446 6.449 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.116 4.794 11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.799 3.782 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.104 5.206 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.258 5.615 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.535 6.596 12.175 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.145 6.084 6.482 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.837 6.624 6.163 1.00 0.00 C ATOM 1141 C GLY A 92 -0.892 7.624 5.026 1.00 0.00 C ATOM 1142 O GLY A 92 -0.218 8.654 5.063 1.00 0.00 O ATOM 0 H GLY A 92 -2.263 5.094 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.419 7.105 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.165 5.809 5.895 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.704 7.325 4.014 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.849 8.211 2.864 1.00 0.00 C ATOM 1148 C LEU A 93 -3.030 9.159 3.052 1.00 0.00 C ATOM 1149 O LEU A 93 -3.862 9.321 2.160 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.021 7.403 1.576 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.181 6.407 1.586 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.390 6.988 0.871 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.763 5.089 0.950 1.00 0.00 C ATOM 0 H LEU A 93 -2.270 6.478 3.968 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.939 8.806 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.165 8.096 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.097 6.859 1.380 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.457 6.213 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.205 6.265 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.705 7.902 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.128 7.214 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.603 4.394 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.457 5.264 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.929 4.664 1.508 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.092 9.785 4.224 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.170 10.718 4.538 1.00 0.00 C ATOM 1167 C LYS A 94 -3.994 12.047 3.804 1.00 0.00 C ATOM 1168 O LYS A 94 -4.874 12.907 3.850 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.227 10.962 6.050 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.277 11.980 6.467 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.665 13.354 6.690 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.460 13.639 8.170 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.554 15.094 8.474 1.00 0.00 N ATOM 0 H LYS A 94 -2.409 9.663 4.972 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.106 10.271 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.430 10.017 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.249 11.302 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.048 12.044 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.766 11.646 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.709 13.416 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.313 14.117 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.207 13.098 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.484 13.266 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.409 15.246 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.825 15.608 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.494 15.445 8.202 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.858 12.216 3.132 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.586 13.449 2.400 1.00 0.00 C ATOM 1189 C ASN A 95 -2.371 13.176 0.914 1.00 0.00 C ATOM 1190 O ASN A 95 -1.572 13.845 0.261 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.354 14.147 2.982 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.671 14.916 4.251 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -2.728 15.537 4.365 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.754 14.879 5.209 1.00 0.00 N ATOM 0 H ASN A 95 -2.115 11.519 3.079 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.455 14.099 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.585 13.404 3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.942 14.830 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.911 15.379 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.108 14.351 5.070 1.00 0.00 H new ATOM 1201 N GLN A 96 -3.086 12.191 0.382 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.964 11.841 -1.027 1.00 0.00 C ATOM 1203 C GLN A 96 -3.991 12.586 -1.872 1.00 0.00 C ATOM 1204 O GLN A 96 -5.038 13.001 -1.378 1.00 0.00 O ATOM 1205 CB GLN A 96 -3.129 10.333 -1.216 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.808 9.602 -1.349 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.979 8.140 -1.709 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.993 7.743 -2.282 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.982 7.330 -1.372 1.00 0.00 N ATOM 0 H GLN A 96 -3.754 11.623 0.903 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.969 12.137 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.679 9.925 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.731 10.148 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.203 10.091 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.260 9.678 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.160 7.703 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.039 6.335 -1.588 1.00 0.00 H new ATOM 1218 N SER A 97 -3.680 12.746 -3.156 1.00 0.00 N ATOM 1219 CA SER A 97 -4.573 13.435 -4.080 1.00 0.00 C ATOM 1220 C SER A 97 -5.227 12.452 -5.050 1.00 0.00 C ATOM 1221 O SER A 97 -6.149 12.810 -5.783 1.00 0.00 O ATOM 1222 CB SER A 97 -3.806 14.508 -4.855 1.00 0.00 C ATOM 1223 OG SER A 97 -4.574 15.004 -5.938 1.00 0.00 O ATOM 0 H SER A 97 -2.816 12.407 -3.579 1.00 0.00 H new ATOM 0 HA SER A 97 -5.361 13.911 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.545 15.327 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.871 14.092 -5.229 1.00 0.00 H new ATOM 0 HG SER A 97 -5.358 14.431 -6.072 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.750 11.211 -5.043 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.292 10.174 -5.917 1.00 0.00 C ATOM 1231 C ARG A 98 -5.057 8.795 -5.313 1.00 0.00 C ATOM 1232 O ARG A 98 -3.916 8.355 -5.172 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.657 10.252 -7.308 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.627 9.955 -8.438 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.284 11.224 -8.955 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.307 12.269 -9.252 1.00 0.00 N ATOM 1237 CZ ARG A 98 -4.561 12.297 -10.353 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.679 11.342 -11.267 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -3.696 13.284 -10.543 1.00 0.00 N ATOM 0 H ARG A 98 -3.988 10.898 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.365 10.338 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.239 11.248 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.827 9.548 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.098 9.460 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.394 9.263 -8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.854 10.995 -9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.993 11.592 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.190 13.022 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.344 10.582 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.104 11.368 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.603 14.022 -9.845 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.124 13.305 -11.387 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.141 8.121 -4.950 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.047 6.797 -4.351 1.00 0.00 C ATOM 1255 C VAL A 99 -6.305 5.698 -5.377 1.00 0.00 C ATOM 1256 O VAL A 99 -7.447 5.448 -5.761 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.041 6.636 -3.186 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.743 5.369 -2.400 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.002 7.856 -2.277 1.00 0.00 C ATOM 0 H VAL A 99 -7.093 8.469 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.030 6.700 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.046 6.552 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.456 5.273 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.827 4.504 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.732 5.420 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.711 7.724 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.998 7.975 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.269 8.745 -2.849 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.234 5.038 -5.806 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.336 3.956 -6.773 1.00 0.00 C ATOM 1271 C LYS A 100 -5.458 2.623 -6.048 1.00 0.00 C ATOM 1272 O LYS A 100 -4.461 2.048 -5.616 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.102 3.939 -7.673 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.152 2.871 -8.749 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.884 3.448 -10.131 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.170 3.604 -10.927 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.375 2.477 -11.878 1.00 0.00 N ATOM 0 H LYS A 100 -4.283 5.236 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.223 4.115 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.994 4.915 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.216 3.783 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.415 2.098 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.130 2.391 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.395 4.417 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.197 2.797 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.016 3.660 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.144 4.544 -11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.262 2.621 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.580 2.439 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.426 1.582 -11.350 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.685 2.145 -5.907 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.931 0.887 -5.217 1.00 0.00 C ATOM 1293 C LEU A 101 -7.306 -0.214 -6.199 1.00 0.00 C ATOM 1294 O LEU A 101 -7.838 0.049 -7.274 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.051 1.045 -4.181 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.227 2.454 -3.601 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.692 2.865 -3.633 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.685 2.516 -2.181 1.00 0.00 C ATOM 0 H LEU A 101 -7.523 2.607 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.007 0.608 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.991 0.741 -4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.860 0.355 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.661 3.154 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.798 3.867 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.049 2.859 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.280 2.163 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.818 3.523 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.224 1.805 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.624 2.265 -2.185 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.046 -1.451 -5.804 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.380 -2.605 -6.622 1.00 0.00 C ATOM 1312 C ASN A 102 -8.260 -3.540 -5.810 1.00 0.00 C ATOM 1313 O ASN A 102 -7.769 -4.438 -5.130 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.116 -3.324 -7.096 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.891 -3.154 -8.585 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.774 -2.891 -9.031 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.958 -3.302 -9.364 1.00 0.00 N ATOM 0 H ASN A 102 -6.601 -1.681 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.918 -2.276 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.254 -2.938 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.192 -4.385 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.870 -3.198 -10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.865 -3.520 -8.951 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.563 -3.292 -5.849 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.507 -4.086 -5.075 1.00 0.00 C ATOM 1326 C ILE A 103 -11.404 -4.943 -5.960 1.00 0.00 C ATOM 1327 O ILE A 103 -11.437 -4.779 -7.177 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.367 -3.180 -4.167 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.559 -2.593 -4.921 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.520 -2.055 -3.590 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.512 -1.864 -4.012 1.00 0.00 C ATOM 0 H ILE A 103 -9.988 -2.551 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.918 -4.761 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.751 -3.799 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.198 -1.908 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.091 -3.394 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.139 -1.424 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.705 -2.478 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.108 -1.456 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.341 -1.466 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.897 -2.553 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.990 -1.044 -3.519 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.133 -5.857 -5.330 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.038 -6.744 -6.046 1.00 0.00 C ATOM 1345 C VAL A 104 -14.479 -6.529 -5.597 1.00 0.00 C ATOM 1346 O VAL A 104 -14.842 -6.857 -4.467 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.659 -8.221 -5.832 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.511 -9.127 -6.708 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.179 -8.441 -6.107 1.00 0.00 C ATOM 0 H VAL A 104 -12.114 -6.002 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.950 -6.505 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.853 -8.476 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.227 -10.166 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.563 -8.993 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.354 -8.872 -7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.932 -9.491 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.956 -8.166 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.588 -7.824 -5.430 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.297 -5.977 -6.488 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.700 -5.722 -6.179 1.00 0.00 C ATOM 1361 C ARG A 105 -17.403 -7.011 -5.769 1.00 0.00 C ATOM 1362 O ARG A 105 -16.958 -8.106 -6.115 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.406 -5.101 -7.387 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.310 -3.934 -7.029 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.374 -2.914 -8.155 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.958 -3.478 -9.371 1.00 0.00 N ATOM 1367 CZ ARG A 105 -18.813 -2.941 -10.580 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -18.104 -1.829 -10.740 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -19.376 -3.518 -11.632 1.00 0.00 N ATOM 0 H ARG A 105 -15.014 -5.698 -7.427 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.745 -5.022 -5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.656 -4.763 -8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.998 -5.869 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.313 -4.302 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.944 -3.454 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.964 -2.056 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -17.370 -2.548 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.509 -4.333 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -17.667 -1.382 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.996 -1.422 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -19.920 -4.373 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -19.265 -3.107 -12.559 1.00 0.00 H new TER 1383 ARG A 105 ATOM 1384 N PRO B -3 -16.391 3.728 13.729 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.446 2.615 13.652 1.00 0.00 C ATOM 1386 C PRO B -3 -14.118 3.010 13.009 1.00 0.00 C ATOM 1387 O PRO B -3 -13.549 2.249 12.225 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.187 1.615 12.772 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.976 2.464 11.832 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.324 3.728 12.585 1.00 0.00 C ATOM 0 H2 PRO B -3 -15.879 4.610 13.751 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.919 3.668 14.600 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.172 2.236 14.637 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.494 0.967 12.236 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.835 0.969 13.364 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.398 2.692 10.937 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.878 1.946 11.505 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.193 4.613 11.962 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.362 3.723 12.916 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.628 4.201 13.343 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.367 4.691 12.797 1.00 0.00 C ATOM 1400 C VAL B -2 -12.373 4.666 11.271 1.00 0.00 C ATOM 1401 O VAL B -2 -12.159 3.621 10.657 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.174 3.861 13.306 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.860 4.508 12.898 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.248 3.692 14.816 1.00 0.00 C ATOM 0 H VAL B -2 -14.086 4.844 13.989 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.259 5.721 13.138 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.221 2.872 12.850 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.029 3.907 13.267 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.808 4.572 11.811 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -9.800 5.510 13.323 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.397 3.103 15.158 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.227 4.672 15.293 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -12.173 3.180 15.080 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.619 5.825 10.667 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.649 5.936 9.212 1.00 0.00 C ATOM 1416 C TYR B -1 -11.271 6.288 8.665 1.00 0.00 C ATOM 1417 O TYR B -1 -10.569 7.133 9.220 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.660 7.000 8.780 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.097 6.532 8.812 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.838 6.587 9.984 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.712 6.039 7.668 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -17.154 6.165 10.018 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.028 5.614 7.693 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.744 5.679 8.870 1.00 0.00 C ATOM 1425 OH TYR B -1 -19.053 5.258 8.899 1.00 0.00 O ATOM 0 H TYR B -1 -12.800 6.699 11.161 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.949 4.969 8.808 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.557 7.869 9.430 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.418 7.327 7.769 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -15.379 6.966 10.885 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.154 5.987 6.745 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.717 6.216 10.938 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.493 5.233 6.795 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.292 4.871 8.031 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.892 5.641 7.567 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.602 5.894 6.940 1.00 0.00 C ATOM 1437 C ILE B 0 -9.765 6.761 5.701 1.00 0.00 C ATOM 1438 O ILE B 0 -10.920 7.113 5.379 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.883 4.581 6.558 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.757 3.718 5.640 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.507 3.807 7.811 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.052 4.346 4.293 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.741 7.070 5.055 1.00 0.00 O ATOM 0 H ILE B 0 -11.461 4.938 7.094 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.990 6.420 7.673 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.975 4.837 6.013 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.262 2.760 5.481 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.700 3.510 6.145 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.001 2.883 7.530 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.842 4.412 8.427 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.408 3.569 8.376 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.675 3.671 3.706 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.577 5.290 4.439 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.117 4.529 3.764 1.00 0.00 H new TER 1455 ILE B 0