USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 123 MET CE :methyl -153:sc= -10.4! (180deg=-11.5!) USER MOD Set 1.2: A 125 ASN : amide:sc= -1.6 X(o=-12,f=-12!) USER MOD Set 2.1: A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl -176:sc= -2.13! (180deg=-2.38!) USER MOD Single : A 79 SER OG : rot 37:sc= 1.03 USER MOD Single : A 81 HIS : no HE2:sc= -8.79! C(o=-8.8!,f=-7.4!) USER MOD Single : A 85 SER OG : rot -99:sc= -0.823 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -15:sc= -2.72! USER MOD Single : A 94 THR OG1 : rot -67:sc= -9.06! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -4.37! C(o=-4.4!,f=-7.9!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -5.35! C(o=-5.3!,f=-7.5!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 116 CYS SG : rot -169:sc= -3.24! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.291) USER MOD Single : A 132 SER OG : rot 180:sc= -0.621 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 136 LYS NZ :NH3+ -167:sc= -0.0191 (180deg=-0.254) USER MOD Single : A 142 SER OG : rot -150:sc= 0 USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 20.132 14.206 -0.202 1.00 0.00 N ATOM 2 CA GLU A 77 19.337 14.110 -1.421 1.00 0.00 C ATOM 3 C GLU A 77 18.452 12.869 -1.396 1.00 0.00 C ATOM 4 O GLU A 77 18.886 11.777 -1.765 1.00 0.00 O ATOM 5 CB GLU A 77 20.251 14.075 -2.649 1.00 0.00 C ATOM 6 CG GLU A 77 19.500 14.157 -3.967 1.00 0.00 C ATOM 7 CD GLU A 77 20.103 13.266 -5.037 1.00 0.00 C ATOM 8 OE1 GLU A 77 21.109 13.677 -5.652 1.00 0.00 O ATOM 9 OE2 GLU A 77 19.570 12.160 -5.259 1.00 0.00 O ATOM 0 HA GLU A 77 18.696 14.990 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.957 14.903 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.836 13.156 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.460 13.873 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.499 15.189 -4.317 1.00 0.00 H new ATOM 16 N ILE A 78 17.209 13.042 -0.959 1.00 0.00 N ATOM 17 CA ILE A 78 16.265 11.935 -0.885 1.00 0.00 C ATOM 18 C ILE A 78 14.834 12.417 -1.101 1.00 0.00 C ATOM 19 O ILE A 78 14.355 13.303 -0.393 1.00 0.00 O ATOM 20 CB ILE A 78 16.353 11.212 0.472 1.00 0.00 C ATOM 21 CG1 ILE A 78 15.500 9.941 0.456 1.00 0.00 C ATOM 22 CG2 ILE A 78 15.918 12.141 1.597 1.00 0.00 C ATOM 23 CD1 ILE A 78 14.066 10.165 0.886 1.00 0.00 C ATOM 0 H ILE A 78 16.833 13.939 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 78 16.533 11.237 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 78 17.390 10.925 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.507 9.522 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 78 15.955 9.200 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.986 11.615 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.568 13.016 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 78 14.889 12.458 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.523 9.220 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.048 10.555 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.593 10.882 0.215 1.00 0.00 H new ATOM 35 N SER A 79 14.158 11.829 -2.082 1.00 0.00 N ATOM 36 CA SER A 79 12.781 12.198 -2.390 1.00 0.00 C ATOM 37 C SER A 79 11.877 10.969 -2.420 1.00 0.00 C ATOM 38 O SER A 79 10.689 11.070 -2.728 1.00 0.00 O ATOM 39 CB SER A 79 12.715 12.928 -3.734 1.00 0.00 C ATOM 40 OG SER A 79 11.641 12.445 -4.524 1.00 0.00 O ATOM 0 H SER A 79 14.541 11.095 -2.678 1.00 0.00 H new ATOM 0 HA SER A 79 12.427 12.864 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.594 13.998 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.654 12.794 -4.271 1.00 0.00 H new ATOM 0 HG SER A 79 10.874 12.246 -3.947 1.00 0.00 H new ATOM 46 N GLY A 80 12.446 9.812 -2.098 1.00 0.00 N ATOM 47 CA GLY A 80 11.676 8.582 -2.093 1.00 0.00 C ATOM 48 C GLY A 80 10.630 8.544 -3.191 1.00 0.00 C ATOM 49 O GLY A 80 10.764 9.221 -4.210 1.00 0.00 O ATOM 0 H GLY A 80 13.427 9.704 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.351 7.734 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.186 8.468 -1.126 1.00 0.00 H new ATOM 53 N HIS A 81 9.586 7.750 -2.981 1.00 0.00 N ATOM 54 CA HIS A 81 8.509 7.624 -3.958 1.00 0.00 C ATOM 55 C HIS A 81 7.193 7.272 -3.271 1.00 0.00 C ATOM 56 O HIS A 81 6.981 6.131 -2.862 1.00 0.00 O ATOM 57 CB HIS A 81 8.852 6.558 -5.003 1.00 0.00 C ATOM 58 CG HIS A 81 10.196 5.926 -4.804 1.00 0.00 C ATOM 59 ND1 HIS A 81 11.382 6.578 -5.072 1.00 0.00 N ATOM 60 CD2 HIS A 81 10.539 4.693 -4.361 1.00 0.00 C ATOM 61 CE1 HIS A 81 12.395 5.774 -4.803 1.00 0.00 C ATOM 62 NE2 HIS A 81 11.911 4.625 -4.369 1.00 0.00 N ATOM 0 H HIS A 81 9.462 7.183 -2.142 1.00 0.00 H new ATOM 0 HA HIS A 81 8.395 8.586 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.088 5.781 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.817 7.010 -5.994 1.00 0.00 H new ATOM 0 HD1 HIS A 81 11.464 7.532 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.860 3.909 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.441 6.016 -4.918 1.00 0.00 H new ATOM 71 N ILE A 82 6.314 8.261 -3.145 1.00 0.00 N ATOM 72 CA ILE A 82 5.021 8.054 -2.504 1.00 0.00 C ATOM 73 C ILE A 82 4.034 7.386 -3.455 1.00 0.00 C ATOM 74 O ILE A 82 4.013 7.676 -4.651 1.00 0.00 O ATOM 75 CB ILE A 82 4.419 9.383 -2.010 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.373 10.064 -1.027 1.00 0.00 C ATOM 77 CG2 ILE A 82 3.064 9.142 -1.361 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.693 11.061 -0.113 1.00 0.00 C ATOM 0 H ILE A 82 6.473 9.212 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 82 5.195 7.401 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 82 4.277 10.042 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.861 9.301 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.156 10.574 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.651 10.090 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.387 8.694 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.182 8.468 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.431 11.504 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.229 11.845 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.929 10.553 0.475 1.00 0.00 H new ATOM 90 N VAL A 83 3.217 6.487 -2.913 1.00 0.00 N ATOM 91 CA VAL A 83 2.227 5.774 -3.711 1.00 0.00 C ATOM 92 C VAL A 83 0.813 6.049 -3.205 1.00 0.00 C ATOM 93 O VAL A 83 0.412 5.552 -2.154 1.00 0.00 O ATOM 94 CB VAL A 83 2.480 4.256 -3.691 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.647 3.559 -4.755 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.960 3.959 -3.885 1.00 0.00 C ATOM 0 H VAL A 83 3.222 6.236 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 83 2.322 6.138 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 83 2.178 3.870 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.841 2.487 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.589 3.742 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.913 3.948 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.120 2.881 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.289 4.360 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.533 4.423 -3.082 1.00 0.00 H new ATOM 106 N ARG A 84 0.064 6.843 -3.964 1.00 0.00 N ATOM 107 CA ARG A 84 -1.305 7.184 -3.593 1.00 0.00 C ATOM 108 C ARG A 84 -2.301 6.232 -4.246 1.00 0.00 C ATOM 109 O ARG A 84 -2.030 5.664 -5.304 1.00 0.00 O ATOM 110 CB ARG A 84 -1.620 8.626 -3.998 1.00 0.00 C ATOM 111 CG ARG A 84 -1.115 8.992 -5.385 1.00 0.00 C ATOM 112 CD ARG A 84 0.137 9.853 -5.314 1.00 0.00 C ATOM 113 NE ARG A 84 -0.175 11.278 -5.376 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.315 11.952 -6.512 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.171 11.332 -7.676 1.00 0.00 N ATOM 116 NH2 ARG A 84 -0.599 13.247 -6.487 1.00 0.00 N ATOM 0 H ARG A 84 0.381 7.262 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.396 7.088 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.699 8.778 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.178 9.304 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.901 8.083 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.895 9.526 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.672 9.639 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.804 9.592 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.292 11.784 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.048 10.336 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.279 11.851 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.710 13.728 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.706 13.763 -7.361 1.00 0.00 H new ATOM 130 N SER A 85 -3.455 6.062 -3.610 1.00 0.00 N ATOM 131 CA SER A 85 -4.494 5.180 -4.129 1.00 0.00 C ATOM 132 C SER A 85 -5.356 5.900 -5.160 1.00 0.00 C ATOM 133 O SER A 85 -6.175 6.753 -4.815 1.00 0.00 O ATOM 134 CB SER A 85 -5.371 4.663 -2.986 1.00 0.00 C ATOM 135 OG SER A 85 -5.857 3.361 -3.263 1.00 0.00 O ATOM 0 H SER A 85 -3.695 6.524 -2.733 1.00 0.00 H new ATOM 0 HA SER A 85 -4.007 4.335 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.796 4.650 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.210 5.342 -2.831 1.00 0.00 H new ATOM 0 HG SER A 85 -6.773 3.420 -3.607 1.00 0.00 H new ATOM 141 N PRO A 86 -5.181 5.561 -6.445 1.00 0.00 N ATOM 142 CA PRO A 86 -5.940 6.172 -7.540 1.00 0.00 C ATOM 143 C PRO A 86 -7.430 5.856 -7.460 1.00 0.00 C ATOM 144 O PRO A 86 -8.255 6.549 -8.055 1.00 0.00 O ATOM 145 CB PRO A 86 -5.329 5.548 -8.799 1.00 0.00 C ATOM 146 CG PRO A 86 -4.692 4.285 -8.331 1.00 0.00 C ATOM 147 CD PRO A 86 -4.224 4.554 -6.930 1.00 0.00 C ATOM 0 HA PRO A 86 -5.876 7.260 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.092 5.350 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.597 6.214 -9.255 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.402 3.458 -8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.858 4.007 -8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.244 3.652 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.201 4.929 -6.912 1.00 0.00 H new ATOM 155 N MET A 87 -7.769 4.803 -6.724 1.00 0.00 N ATOM 156 CA MET A 87 -9.160 4.396 -6.569 1.00 0.00 C ATOM 157 C MET A 87 -9.548 4.331 -5.096 1.00 0.00 C ATOM 158 O MET A 87 -8.690 4.388 -4.215 1.00 0.00 O ATOM 159 CB MET A 87 -9.393 3.036 -7.229 1.00 0.00 C ATOM 160 CG MET A 87 -10.665 2.973 -8.056 1.00 0.00 C ATOM 161 SD MET A 87 -10.366 2.441 -9.751 1.00 0.00 S ATOM 162 CE MET A 87 -11.947 2.813 -10.506 1.00 0.00 C ATOM 0 H MET A 87 -7.100 4.216 -6.226 1.00 0.00 H new ATOM 0 HA MET A 87 -9.786 5.142 -7.059 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.542 2.801 -7.868 1.00 0.00 H new ATOM 0 HB3 MET A 87 -9.433 2.268 -6.456 1.00 0.00 H new ATOM 0 HG2 MET A 87 -11.368 2.287 -7.583 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.136 3.956 -8.066 1.00 0.00 H new ATOM 0 HE1 MET A 87 -11.920 2.539 -11.561 1.00 0.00 H new ATOM 0 HE2 MET A 87 -12.732 2.248 -10.004 1.00 0.00 H new ATOM 0 HE3 MET A 87 -12.152 3.880 -10.414 1.00 0.00 H new ATOM 172 N VAL A 88 -10.845 4.213 -4.837 1.00 0.00 N ATOM 173 CA VAL A 88 -11.345 4.140 -3.470 1.00 0.00 C ATOM 174 C VAL A 88 -11.499 2.694 -3.016 1.00 0.00 C ATOM 175 O VAL A 88 -11.528 1.773 -3.833 1.00 0.00 O ATOM 176 CB VAL A 88 -12.701 4.859 -3.326 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.338 4.540 -1.982 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.530 6.361 -3.498 1.00 0.00 C ATOM 0 H VAL A 88 -11.568 4.166 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.609 4.639 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.366 4.498 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.294 5.057 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.499 3.465 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.678 4.869 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.498 6.852 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.847 6.739 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.123 6.570 -4.487 1.00 0.00 H new ATOM 188 N GLY A 89 -11.597 2.503 -1.705 1.00 0.00 N ATOM 189 CA GLY A 89 -11.746 1.168 -1.156 1.00 0.00 C ATOM 190 C GLY A 89 -11.300 1.090 0.290 1.00 0.00 C ATOM 191 O GLY A 89 -11.324 2.091 1.007 1.00 0.00 O ATOM 0 H GLY A 89 -11.576 3.251 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.789 0.861 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.164 0.465 -1.752 1.00 0.00 H new ATOM 195 N THR A 90 -10.893 -0.098 0.719 1.00 0.00 N ATOM 196 CA THR A 90 -10.440 -0.298 2.089 1.00 0.00 C ATOM 197 C THR A 90 -8.979 -0.738 2.118 1.00 0.00 C ATOM 198 O THR A 90 -8.622 -1.772 1.555 1.00 0.00 O ATOM 199 CB THR A 90 -11.312 -1.339 2.791 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.651 -1.260 2.337 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.329 -1.186 4.297 1.00 0.00 C ATOM 0 H THR A 90 -10.867 -0.936 0.139 1.00 0.00 H new ATOM 0 HA THR A 90 -10.527 0.652 2.617 1.00 0.00 H new ATOM 0 HB THR A 90 -10.867 -2.303 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.193 -1.935 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.966 -1.955 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.316 -1.291 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.718 -0.202 4.558 1.00 0.00 H new ATOM 209 N PHE A 91 -8.139 0.055 2.776 1.00 0.00 N ATOM 210 CA PHE A 91 -6.717 -0.255 2.874 1.00 0.00 C ATOM 211 C PHE A 91 -6.426 -1.114 4.100 1.00 0.00 C ATOM 212 O PHE A 91 -7.277 -1.271 4.976 1.00 0.00 O ATOM 213 CB PHE A 91 -5.895 1.033 2.935 1.00 0.00 C ATOM 214 CG PHE A 91 -4.414 0.794 3.000 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.707 0.421 1.861 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.726 0.937 4.199 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.340 0.197 1.920 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.359 0.715 4.263 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.666 0.345 3.122 1.00 0.00 C ATOM 0 H PHE A 91 -8.418 0.915 3.248 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.435 -0.818 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.119 1.640 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.201 1.609 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.228 0.305 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.262 1.224 5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.801 -0.093 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.835 0.830 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.601 0.172 3.169 1.00 0.00 H new ATOM 229 N TYR A 92 -5.218 -1.666 4.156 1.00 0.00 N ATOM 230 CA TYR A 92 -4.814 -2.508 5.276 1.00 0.00 C ATOM 231 C TYR A 92 -3.294 -2.607 5.357 1.00 0.00 C ATOM 232 O TYR A 92 -2.578 -1.829 4.725 1.00 0.00 O ATOM 233 CB TYR A 92 -5.422 -3.901 5.139 1.00 0.00 C ATOM 234 CG TYR A 92 -6.921 -3.891 4.945 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.783 -3.783 6.036 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.479 -3.988 3.671 1.00 0.00 C ATOM 237 CE1 TYR A 92 -9.158 -3.772 5.862 1.00 0.00 C ATOM 238 CE2 TYR A 92 -8.854 -3.977 3.490 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.687 -3.869 4.588 1.00 0.00 C ATOM 240 OH TYR A 92 -11.052 -3.858 4.412 1.00 0.00 O ATOM 0 H TYR A 92 -4.502 -1.545 3.439 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.181 -2.051 6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.958 -4.409 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.183 -4.482 6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.373 -3.707 7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.830 -4.073 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.813 -3.688 6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.272 -4.052 2.497 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.494 -4.018 5.272 1.00 0.00 H new ATOM 250 N ARG A 93 -2.807 -3.565 6.138 1.00 0.00 N ATOM 251 CA ARG A 93 -1.369 -3.757 6.297 1.00 0.00 C ATOM 252 C ARG A 93 -0.969 -5.205 6.030 1.00 0.00 C ATOM 253 O ARG A 93 0.217 -5.533 6.013 1.00 0.00 O ATOM 254 CB ARG A 93 -0.932 -3.349 7.706 1.00 0.00 C ATOM 255 CG ARG A 93 -1.731 -2.190 8.278 1.00 0.00 C ATOM 256 CD ARG A 93 -0.831 -1.027 8.663 1.00 0.00 C ATOM 257 NE ARG A 93 0.320 -1.464 9.447 1.00 0.00 N ATOM 258 CZ ARG A 93 1.373 -0.693 9.703 1.00 0.00 C ATOM 259 NH1 ARG A 93 1.418 0.548 9.239 1.00 0.00 N ATOM 260 NH2 ARG A 93 2.382 -1.165 10.423 1.00 0.00 N ATOM 0 H ARG A 93 -3.383 -4.218 6.669 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.866 -3.124 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.027 -4.208 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.123 -3.077 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.465 -1.856 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.286 -2.527 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.485 -0.522 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.405 -0.299 9.236 1.00 0.00 H new ATOM 0 HE ARG A 93 0.317 -2.414 9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.644 0.913 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.227 1.137 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.351 -2.120 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.189 -0.573 10.619 1.00 0.00 H new ATOM 274 N THR A 94 -1.957 -6.070 5.820 1.00 0.00 N ATOM 275 CA THR A 94 -1.684 -7.478 5.556 1.00 0.00 C ATOM 276 C THR A 94 -2.962 -8.242 5.221 1.00 0.00 C ATOM 277 O THR A 94 -4.063 -7.835 5.594 1.00 0.00 O ATOM 278 CB THR A 94 -0.998 -8.119 6.761 1.00 0.00 C ATOM 279 OG1 THR A 94 -1.238 -9.511 6.792 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.452 -7.550 8.086 1.00 0.00 C ATOM 0 H THR A 94 -2.947 -5.823 5.827 1.00 0.00 H new ATOM 0 HA THR A 94 -1.021 -7.530 4.692 1.00 0.00 H new ATOM 0 HB THR A 94 0.062 -7.901 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.188 -9.675 6.967 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.924 -8.051 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.235 -6.482 8.117 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.525 -7.706 8.200 1.00 0.00 H new ATOM 288 N PRO A 95 -2.821 -9.368 4.506 1.00 0.00 N ATOM 289 CA PRO A 95 -3.948 -10.209 4.106 1.00 0.00 C ATOM 290 C PRO A 95 -4.357 -11.201 5.192 1.00 0.00 C ATOM 291 O PRO A 95 -3.728 -12.243 5.360 1.00 0.00 O ATOM 292 CB PRO A 95 -3.398 -10.943 2.889 1.00 0.00 C ATOM 293 CG PRO A 95 -1.933 -11.077 3.154 1.00 0.00 C ATOM 294 CD PRO A 95 -1.536 -9.907 4.025 1.00 0.00 C ATOM 0 HA PRO A 95 -4.850 -9.628 3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.869 -11.919 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.585 -10.384 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.716 -12.021 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.370 -11.073 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.901 -10.223 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.976 -9.161 3.461 1.00 0.00 H new ATOM 302 N SER A 96 -5.415 -10.861 5.925 1.00 0.00 N ATOM 303 CA SER A 96 -5.928 -11.705 7.006 1.00 0.00 C ATOM 304 C SER A 96 -5.616 -13.185 6.785 1.00 0.00 C ATOM 305 O SER A 96 -4.897 -13.799 7.572 1.00 0.00 O ATOM 306 CB SER A 96 -7.438 -11.516 7.149 1.00 0.00 C ATOM 307 OG SER A 96 -7.740 -10.532 8.123 1.00 0.00 O ATOM 0 H SER A 96 -5.940 -9.997 5.789 1.00 0.00 H new ATOM 0 HA SER A 96 -5.425 -11.394 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.863 -11.224 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.901 -12.462 7.428 1.00 0.00 H new ATOM 0 HG SER A 96 -8.712 -10.429 8.194 1.00 0.00 H new ATOM 313 N PRO A 97 -6.158 -13.780 5.710 1.00 0.00 N ATOM 314 CA PRO A 97 -5.941 -15.189 5.394 1.00 0.00 C ATOM 315 C PRO A 97 -4.529 -15.653 5.740 1.00 0.00 C ATOM 316 O PRO A 97 -4.335 -16.452 6.656 1.00 0.00 O ATOM 317 CB PRO A 97 -6.185 -15.230 3.889 1.00 0.00 C ATOM 318 CG PRO A 97 -7.219 -14.179 3.649 1.00 0.00 C ATOM 319 CD PRO A 97 -7.029 -13.125 4.717 1.00 0.00 C ATOM 0 HA PRO A 97 -6.588 -15.855 5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.271 -15.022 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.535 -16.212 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.107 -13.746 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.221 -14.604 3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.567 -12.225 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.980 -12.825 5.156 1.00 0.00 H new ATOM 327 N ASP A 98 -3.548 -15.138 5.012 1.00 0.00 N ATOM 328 CA ASP A 98 -2.153 -15.486 5.248 1.00 0.00 C ATOM 329 C ASP A 98 -1.365 -14.240 5.629 1.00 0.00 C ATOM 330 O ASP A 98 -0.257 -14.015 5.143 1.00 0.00 O ATOM 331 CB ASP A 98 -1.544 -16.134 4.003 1.00 0.00 C ATOM 332 CG ASP A 98 -1.655 -15.248 2.778 1.00 0.00 C ATOM 333 OD1 ASP A 98 -1.440 -14.024 2.907 1.00 0.00 O ATOM 334 OD2 ASP A 98 -1.956 -15.778 1.687 1.00 0.00 O ATOM 0 H ASP A 98 -3.693 -14.475 4.250 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.106 -16.202 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.494 -16.360 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.044 -17.083 3.809 1.00 0.00 H new ATOM 339 N ALA A 99 -1.964 -13.424 6.490 1.00 0.00 N ATOM 340 CA ALA A 99 -1.347 -12.185 6.933 1.00 0.00 C ATOM 341 C ALA A 99 0.129 -12.368 7.257 1.00 0.00 C ATOM 342 O ALA A 99 0.488 -12.956 8.277 1.00 0.00 O ATOM 343 CB ALA A 99 -2.091 -11.625 8.134 1.00 0.00 C ATOM 0 H ALA A 99 -2.883 -13.603 6.896 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.412 -11.473 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.618 -10.697 8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.128 -11.428 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.062 -12.348 8.949 1.00 0.00 H new ATOM 349 N LYS A 100 0.980 -11.842 6.384 1.00 0.00 N ATOM 350 CA LYS A 100 2.422 -11.921 6.568 1.00 0.00 C ATOM 351 C LYS A 100 3.008 -10.520 6.692 1.00 0.00 C ATOM 352 O LYS A 100 4.208 -10.315 6.510 1.00 0.00 O ATOM 353 CB LYS A 100 3.070 -12.661 5.396 1.00 0.00 C ATOM 354 CG LYS A 100 4.515 -13.055 5.649 1.00 0.00 C ATOM 355 CD LYS A 100 4.983 -14.116 4.665 1.00 0.00 C ATOM 356 CE LYS A 100 6.396 -14.580 4.980 1.00 0.00 C ATOM 357 NZ LYS A 100 7.375 -14.114 3.958 1.00 0.00 N ATOM 0 H LYS A 100 0.692 -11.353 5.536 1.00 0.00 H new ATOM 0 HA LYS A 100 2.628 -12.475 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.490 -13.558 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.024 -12.029 4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.153 -12.175 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.618 -13.430 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.303 -14.968 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.947 -13.716 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.690 -14.207 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.417 -15.668 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.326 -14.451 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.109 -14.490 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.374 -13.075 3.925 1.00 0.00 H new ATOM 371 N ALA A 101 2.142 -9.557 6.998 1.00 0.00 N ATOM 372 CA ALA A 101 2.551 -8.169 7.144 1.00 0.00 C ATOM 373 C ALA A 101 3.036 -7.599 5.818 1.00 0.00 C ATOM 374 O ALA A 101 4.236 -7.573 5.541 1.00 0.00 O ATOM 375 CB ALA A 101 3.628 -8.043 8.208 1.00 0.00 C ATOM 0 H ALA A 101 1.146 -9.718 7.150 1.00 0.00 H new ATOM 0 HA ALA A 101 1.683 -7.591 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.923 -6.998 8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.241 -8.401 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.494 -8.640 7.921 1.00 0.00 H new ATOM 381 N PHE A 102 2.092 -7.144 5.002 1.00 0.00 N ATOM 382 CA PHE A 102 2.415 -6.569 3.702 1.00 0.00 C ATOM 383 C PHE A 102 3.498 -5.504 3.831 1.00 0.00 C ATOM 384 O PHE A 102 4.098 -5.339 4.893 1.00 0.00 O ATOM 385 CB PHE A 102 1.162 -5.966 3.064 1.00 0.00 C ATOM 386 CG PHE A 102 0.394 -6.934 2.211 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.061 -7.842 1.395 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.996 -6.939 2.223 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.353 -8.737 0.607 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.707 -7.831 1.438 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.033 -8.730 0.629 1.00 0.00 C ATOM 0 H PHE A 102 1.095 -7.162 5.218 1.00 0.00 H new ATOM 0 HA PHE A 102 2.792 -7.367 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.508 -5.591 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.451 -5.109 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.141 -7.850 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.527 -6.240 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.881 -9.438 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.787 -7.825 1.457 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.587 -9.425 0.016 1.00 0.00 H new ATOM 401 N ILE A 103 3.744 -4.780 2.744 1.00 0.00 N ATOM 402 CA ILE A 103 4.754 -3.730 2.739 1.00 0.00 C ATOM 403 C ILE A 103 4.359 -2.584 3.665 1.00 0.00 C ATOM 404 O ILE A 103 3.542 -1.738 3.307 1.00 0.00 O ATOM 405 CB ILE A 103 4.978 -3.174 1.320 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.799 -4.284 0.282 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.361 -2.551 1.207 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.480 -5.581 0.662 1.00 0.00 C ATOM 0 H ILE A 103 3.257 -4.902 1.856 1.00 0.00 H new ATOM 0 HA ILE A 103 5.681 -4.180 3.096 1.00 0.00 H new ATOM 0 HB ILE A 103 4.237 -2.399 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.734 -4.470 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.193 -3.943 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.504 -2.163 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.453 -1.737 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.119 -3.306 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.312 -6.323 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.551 -5.410 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.069 -5.946 1.603 1.00 0.00 H new ATOM 420 N GLU A 104 4.944 -2.568 4.859 1.00 0.00 N ATOM 421 CA GLU A 104 4.652 -1.530 5.839 1.00 0.00 C ATOM 422 C GLU A 104 5.873 -0.650 6.086 1.00 0.00 C ATOM 423 O GLU A 104 6.861 -0.720 5.354 1.00 0.00 O ATOM 424 CB GLU A 104 4.190 -2.156 7.152 1.00 0.00 C ATOM 425 CG GLU A 104 2.987 -3.072 7.000 1.00 0.00 C ATOM 426 CD GLU A 104 1.910 -2.479 6.114 1.00 0.00 C ATOM 427 OE1 GLU A 104 1.484 -1.335 6.382 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.495 -3.157 5.151 1.00 0.00 O ATOM 0 H GLU A 104 5.623 -3.263 5.170 1.00 0.00 H new ATOM 0 HA GLU A 104 3.853 -0.906 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.015 -2.722 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.944 -1.362 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.311 -4.025 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.568 -3.281 7.984 1.00 0.00 H new ATOM 435 N VAL A 105 5.798 0.177 7.123 1.00 0.00 N ATOM 436 CA VAL A 105 6.895 1.071 7.468 1.00 0.00 C ATOM 437 C VAL A 105 8.141 0.285 7.862 1.00 0.00 C ATOM 438 O VAL A 105 8.051 -0.863 8.298 1.00 0.00 O ATOM 439 CB VAL A 105 6.511 2.013 8.623 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.399 3.247 8.624 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.043 2.401 8.531 1.00 0.00 C ATOM 0 H VAL A 105 4.988 0.246 7.739 1.00 0.00 H new ATOM 0 HA VAL A 105 7.108 1.666 6.580 1.00 0.00 H new ATOM 0 HB VAL A 105 6.664 1.485 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.112 3.901 9.448 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.440 2.946 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.283 3.780 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.790 3.067 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.860 2.910 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.426 1.504 8.586 1.00 0.00 H new ATOM 451 N GLY A 106 9.302 0.912 7.706 1.00 0.00 N ATOM 452 CA GLY A 106 10.550 0.259 8.050 1.00 0.00 C ATOM 453 C GLY A 106 10.672 -1.125 7.444 1.00 0.00 C ATOM 454 O GLY A 106 11.460 -1.947 7.912 1.00 0.00 O ATOM 0 H GLY A 106 9.400 1.862 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.383 0.875 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.630 0.185 9.135 1.00 0.00 H new ATOM 458 N GLN A 107 9.891 -1.386 6.400 1.00 0.00 N ATOM 459 CA GLN A 107 9.920 -2.682 5.732 1.00 0.00 C ATOM 460 C GLN A 107 10.694 -2.599 4.419 1.00 0.00 C ATOM 461 O GLN A 107 11.006 -1.508 3.941 1.00 0.00 O ATOM 462 CB GLN A 107 8.495 -3.177 5.471 1.00 0.00 C ATOM 463 CG GLN A 107 8.434 -4.506 4.734 1.00 0.00 C ATOM 464 CD GLN A 107 7.054 -5.135 4.781 1.00 0.00 C ATOM 465 OE1 GLN A 107 6.250 -4.830 5.662 1.00 0.00 O ATOM 466 NE2 GLN A 107 6.774 -6.018 3.830 1.00 0.00 N ATOM 0 H GLN A 107 9.232 -0.719 5.999 1.00 0.00 H new ATOM 0 HA GLN A 107 10.427 -3.391 6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.974 -3.276 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.959 -2.425 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.725 -4.355 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.158 -5.194 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.471 -6.241 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.862 -6.474 3.810 1.00 0.00 H new ATOM 475 N LYS A 108 11.002 -3.757 3.840 1.00 0.00 N ATOM 476 CA LYS A 108 11.739 -3.810 2.584 1.00 0.00 C ATOM 477 C LYS A 108 10.785 -3.896 1.397 1.00 0.00 C ATOM 478 O LYS A 108 9.824 -4.666 1.415 1.00 0.00 O ATOM 479 CB LYS A 108 12.691 -5.007 2.578 1.00 0.00 C ATOM 480 CG LYS A 108 13.284 -5.307 1.210 1.00 0.00 C ATOM 481 CD LYS A 108 14.480 -4.417 0.914 1.00 0.00 C ATOM 482 CE LYS A 108 15.663 -5.224 0.405 1.00 0.00 C ATOM 483 NZ LYS A 108 16.558 -4.412 -0.466 1.00 0.00 N ATOM 0 H LYS A 108 10.752 -4.669 4.222 1.00 0.00 H new ATOM 0 HA LYS A 108 12.320 -2.893 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.501 -4.820 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.156 -5.888 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.588 -6.353 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.523 -5.163 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.203 -3.668 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.767 -3.879 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.232 -5.608 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.300 -6.087 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.352 -5.000 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.023 -4.067 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.925 -3.602 0.073 1.00 0.00 H new ATOM 497 N VAL A 109 11.057 -3.102 0.367 1.00 0.00 N ATOM 498 CA VAL A 109 10.222 -3.088 -0.828 1.00 0.00 C ATOM 499 C VAL A 109 11.050 -3.356 -2.080 1.00 0.00 C ATOM 500 O VAL A 109 12.029 -2.660 -2.350 1.00 0.00 O ATOM 501 CB VAL A 109 9.494 -1.741 -0.988 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.761 -1.375 0.293 1.00 0.00 C ATOM 503 CG2 VAL A 109 10.476 -0.647 -1.381 1.00 0.00 C ATOM 0 H VAL A 109 11.849 -2.460 0.336 1.00 0.00 H new ATOM 0 HA VAL A 109 9.483 -3.880 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 109 8.757 -1.839 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.252 -0.420 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.028 -2.147 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.476 -1.295 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.944 0.298 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 109 11.238 -0.547 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.951 -0.907 -2.327 1.00 0.00 H new ATOM 513 N ASN A 110 10.651 -4.369 -2.842 1.00 0.00 N ATOM 514 CA ASN A 110 11.357 -4.729 -4.067 1.00 0.00 C ATOM 515 C ASN A 110 10.426 -4.651 -5.274 1.00 0.00 C ATOM 516 O ASN A 110 9.227 -4.903 -5.163 1.00 0.00 O ATOM 517 CB ASN A 110 11.949 -6.139 -3.959 1.00 0.00 C ATOM 518 CG ASN A 110 11.691 -6.784 -2.610 1.00 0.00 C ATOM 519 OD1 ASN A 110 11.832 -6.147 -1.566 1.00 0.00 O ATOM 520 ND2 ASN A 110 11.312 -8.056 -2.625 1.00 0.00 N ATOM 0 H ASN A 110 9.843 -4.955 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 110 12.169 -4.015 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.526 -6.767 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.024 -6.091 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.125 -8.543 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 110 11.207 -8.547 -3.513 1.00 0.00 H new ATOM 527 N VAL A 111 10.989 -4.302 -6.427 1.00 0.00 N ATOM 528 CA VAL A 111 10.211 -4.191 -7.655 1.00 0.00 C ATOM 529 C VAL A 111 9.490 -5.499 -7.967 1.00 0.00 C ATOM 530 O VAL A 111 10.092 -6.444 -8.475 1.00 0.00 O ATOM 531 CB VAL A 111 11.101 -3.812 -8.853 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.298 -3.838 -10.144 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.733 -2.446 -8.636 1.00 0.00 C ATOM 0 H VAL A 111 11.981 -4.091 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 111 9.477 -3.402 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 111 11.901 -4.548 -8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.944 -3.568 -10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.898 -4.839 -10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.476 -3.126 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.359 -2.194 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.950 -1.696 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.344 -2.467 -7.734 1.00 0.00 H new ATOM 543 N GLY A 112 8.199 -5.545 -7.659 1.00 0.00 N ATOM 544 CA GLY A 112 7.420 -6.741 -7.913 1.00 0.00 C ATOM 545 C GLY A 112 6.807 -7.312 -6.650 1.00 0.00 C ATOM 546 O GLY A 112 5.806 -8.026 -6.705 1.00 0.00 O ATOM 0 H GLY A 112 7.679 -4.775 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.628 -6.511 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.057 -7.494 -8.377 1.00 0.00 H new ATOM 550 N ASP A 113 7.411 -6.997 -5.508 1.00 0.00 N ATOM 551 CA ASP A 113 6.918 -7.485 -4.226 1.00 0.00 C ATOM 552 C ASP A 113 5.494 -7.002 -3.972 1.00 0.00 C ATOM 553 O ASP A 113 5.166 -5.843 -4.227 1.00 0.00 O ATOM 554 CB ASP A 113 7.835 -7.023 -3.095 1.00 0.00 C ATOM 555 CG ASP A 113 8.587 -8.173 -2.454 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.949 -9.123 -3.181 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.815 -8.124 -1.228 1.00 0.00 O ATOM 0 H ASP A 113 8.241 -6.407 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 113 6.913 -8.575 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.549 -6.297 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.242 -6.512 -2.336 1.00 0.00 H new ATOM 562 N THR A 114 4.653 -7.898 -3.468 1.00 0.00 N ATOM 563 CA THR A 114 3.262 -7.564 -3.179 1.00 0.00 C ATOM 564 C THR A 114 3.171 -6.304 -2.323 1.00 0.00 C ATOM 565 O THR A 114 3.781 -6.221 -1.257 1.00 0.00 O ATOM 566 CB THR A 114 2.573 -8.730 -2.469 1.00 0.00 C ATOM 567 OG1 THR A 114 3.003 -9.968 -3.008 1.00 0.00 O ATOM 568 CG2 THR A 114 1.063 -8.685 -2.572 1.00 0.00 C ATOM 0 H THR A 114 4.909 -8.861 -3.251 1.00 0.00 H new ATOM 0 HA THR A 114 2.755 -7.374 -4.125 1.00 0.00 H new ATOM 0 HB THR A 114 2.853 -8.636 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.553 -10.702 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.637 -9.540 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.695 -7.763 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.769 -8.719 -3.621 1.00 0.00 H new ATOM 576 N LEU A 115 2.407 -5.326 -2.799 1.00 0.00 N ATOM 577 CA LEU A 115 2.234 -4.069 -2.078 1.00 0.00 C ATOM 578 C LEU A 115 1.207 -4.216 -0.960 1.00 0.00 C ATOM 579 O LEU A 115 1.551 -4.183 0.221 1.00 0.00 O ATOM 580 CB LEU A 115 1.799 -2.961 -3.040 1.00 0.00 C ATOM 581 CG LEU A 115 2.223 -1.547 -2.630 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.530 -1.165 -3.308 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.131 -0.541 -2.968 1.00 0.00 C ATOM 0 H LEU A 115 1.898 -5.379 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 115 3.192 -3.802 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.209 -3.175 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.713 -2.986 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 115 2.378 -1.534 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.816 -0.158 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.311 -1.867 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.401 -1.196 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.451 0.457 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.942 -0.556 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.217 -0.804 -2.436 1.00 0.00 H new ATOM 595 N CYS A 116 -0.057 -4.377 -1.342 1.00 0.00 N ATOM 596 CA CYS A 116 -1.137 -4.526 -0.373 1.00 0.00 C ATOM 597 C CYS A 116 -2.489 -4.598 -1.076 1.00 0.00 C ATOM 598 O CYS A 116 -2.620 -4.189 -2.229 1.00 0.00 O ATOM 599 CB CYS A 116 -1.126 -3.360 0.617 1.00 0.00 C ATOM 600 SG CYS A 116 -0.354 -1.855 -0.023 1.00 0.00 S ATOM 0 H CYS A 116 -0.358 -4.408 -2.316 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.979 -5.457 0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.152 -3.134 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.600 -3.669 1.520 1.00 0.00 H new ATOM 0 HG CYS A 116 -0.184 -1.008 0.948 1.00 0.00 H new ATOM 606 N ILE A 117 -3.491 -5.120 -0.374 1.00 0.00 N ATOM 607 CA ILE A 117 -4.832 -5.246 -0.935 1.00 0.00 C ATOM 608 C ILE A 117 -5.640 -3.969 -0.727 1.00 0.00 C ATOM 609 O ILE A 117 -5.420 -3.229 0.232 1.00 0.00 O ATOM 610 CB ILE A 117 -5.596 -6.436 -0.315 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.034 -7.761 -0.833 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.083 -6.340 -0.624 1.00 0.00 C ATOM 613 CD1 ILE A 117 -5.073 -8.875 0.191 1.00 0.00 C ATOM 0 H ILE A 117 -3.400 -5.462 0.583 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.710 -5.423 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.464 -6.399 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.600 -8.067 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.003 -7.609 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.603 -7.188 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.481 -5.413 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.232 -6.350 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.659 -9.784 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.483 -8.589 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.104 -9.055 0.494 1.00 0.00 H new ATOM 625 N VAL A 118 -6.585 -3.725 -1.630 1.00 0.00 N ATOM 626 CA VAL A 118 -7.438 -2.547 -1.548 1.00 0.00 C ATOM 627 C VAL A 118 -8.851 -2.936 -1.126 1.00 0.00 C ATOM 628 O VAL A 118 -9.612 -2.108 -0.625 1.00 0.00 O ATOM 629 CB VAL A 118 -7.507 -1.804 -2.896 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.018 -0.386 -2.698 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.147 -1.798 -3.577 1.00 0.00 C ATOM 0 H VAL A 118 -6.779 -4.330 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.999 -1.884 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 118 -8.207 -2.332 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.060 0.123 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.016 -0.417 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.345 0.153 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.218 -1.268 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.421 -1.297 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.826 -2.824 -3.757 1.00 0.00 H new ATOM 641 N GLU A 119 -9.190 -4.203 -1.332 1.00 0.00 N ATOM 642 CA GLU A 119 -10.508 -4.714 -0.975 1.00 0.00 C ATOM 643 C GLU A 119 -11.596 -3.697 -1.301 1.00 0.00 C ATOM 644 O GLU A 119 -12.188 -3.099 -0.403 1.00 0.00 O ATOM 645 CB GLU A 119 -10.556 -5.070 0.511 1.00 0.00 C ATOM 646 CG GLU A 119 -11.542 -6.179 0.839 1.00 0.00 C ATOM 647 CD GLU A 119 -12.922 -5.921 0.266 1.00 0.00 C ATOM 648 OE1 GLU A 119 -13.072 -5.985 -0.972 1.00 0.00 O ATOM 649 OE2 GLU A 119 -13.852 -5.655 1.056 1.00 0.00 O ATOM 0 H GLU A 119 -8.568 -4.898 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.690 -5.613 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.560 -5.372 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.821 -4.179 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.162 -7.124 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.616 -6.286 1.921 1.00 0.00 H new ATOM 656 N ALA A 120 -11.857 -3.509 -2.589 1.00 0.00 N ATOM 657 CA ALA A 120 -12.878 -2.568 -3.033 1.00 0.00 C ATOM 658 C ALA A 120 -14.178 -3.291 -3.369 1.00 0.00 C ATOM 659 O ALA A 120 -15.216 -2.662 -3.571 1.00 0.00 O ATOM 660 CB ALA A 120 -12.382 -1.780 -4.236 1.00 0.00 C ATOM 0 H ALA A 120 -11.375 -3.996 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 120 -13.079 -1.873 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -13.155 -1.081 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.483 -1.227 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.152 -2.466 -5.051 1.00 0.00 H new ATOM 666 N MET A 121 -14.111 -4.618 -3.427 1.00 0.00 N ATOM 667 CA MET A 121 -15.282 -5.430 -3.738 1.00 0.00 C ATOM 668 C MET A 121 -14.912 -6.909 -3.798 1.00 0.00 C ATOM 669 O MET A 121 -15.044 -7.549 -4.841 1.00 0.00 O ATOM 670 CB MET A 121 -15.892 -4.992 -5.071 1.00 0.00 C ATOM 671 CG MET A 121 -15.066 -5.396 -6.281 1.00 0.00 C ATOM 672 SD MET A 121 -15.186 -4.207 -7.631 1.00 0.00 S ATOM 673 CE MET A 121 -16.818 -4.581 -8.268 1.00 0.00 C ATOM 0 H MET A 121 -13.258 -5.153 -3.263 1.00 0.00 H new ATOM 0 HA MET A 121 -16.017 -5.286 -2.946 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.890 -5.422 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 121 -16.011 -3.908 -5.068 1.00 0.00 H new ATOM 0 HG2 MET A 121 -14.022 -5.500 -5.985 1.00 0.00 H new ATOM 0 HG3 MET A 121 -15.397 -6.373 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 121 -17.039 -3.926 -9.110 1.00 0.00 H new ATOM 0 HE2 MET A 121 -16.851 -5.619 -8.598 1.00 0.00 H new ATOM 0 HE3 MET A 121 -17.559 -4.426 -7.484 1.00 0.00 H new ATOM 683 N LYS A 122 -14.444 -7.443 -2.675 1.00 0.00 N ATOM 684 CA LYS A 122 -14.052 -8.846 -2.605 1.00 0.00 C ATOM 685 C LYS A 122 -13.200 -9.226 -3.811 1.00 0.00 C ATOM 686 O LYS A 122 -13.202 -10.377 -4.248 1.00 0.00 O ATOM 687 CB LYS A 122 -15.290 -9.741 -2.533 1.00 0.00 C ATOM 688 CG LYS A 122 -15.007 -11.128 -1.981 1.00 0.00 C ATOM 689 CD LYS A 122 -14.081 -11.069 -0.776 1.00 0.00 C ATOM 690 CE LYS A 122 -14.596 -10.099 0.274 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.744 -10.071 1.460 1.00 0.00 N ATOM 0 H LYS A 122 -14.327 -6.927 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.459 -8.991 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.042 -9.257 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.717 -9.837 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.945 -11.607 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.556 -11.745 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.986 -12.063 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.084 -10.765 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.653 -9.098 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.609 -10.381 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.132 -9.397 2.150 1.00 0.00 H new ATOM 702 N MET A 123 -12.476 -8.248 -4.345 1.00 0.00 N ATOM 703 CA MET A 123 -11.619 -8.473 -5.502 1.00 0.00 C ATOM 704 C MET A 123 -10.155 -8.595 -5.086 1.00 0.00 C ATOM 705 O MET A 123 -9.284 -8.847 -5.918 1.00 0.00 O ATOM 706 CB MET A 123 -11.781 -7.332 -6.508 1.00 0.00 C ATOM 707 CG MET A 123 -11.070 -6.053 -6.097 1.00 0.00 C ATOM 708 SD MET A 123 -11.654 -4.611 -7.009 1.00 0.00 S ATOM 709 CE MET A 123 -10.491 -3.365 -6.452 1.00 0.00 C ATOM 0 H MET A 123 -12.466 -7.290 -3.994 1.00 0.00 H new ATOM 0 HA MET A 123 -11.922 -9.410 -5.969 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.399 -7.655 -7.476 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.843 -7.122 -6.639 1.00 0.00 H new ATOM 0 HG2 MET A 123 -11.217 -5.887 -5.030 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.998 -6.170 -6.257 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.956 -2.381 -6.512 1.00 0.00 H new ATOM 0 HE2 MET A 123 -10.205 -3.569 -5.420 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.604 -3.386 -7.085 1.00 0.00 H new ATOM 719 N MET A 124 -9.889 -8.412 -3.796 1.00 0.00 N ATOM 720 CA MET A 124 -8.530 -8.501 -3.278 1.00 0.00 C ATOM 721 C MET A 124 -7.555 -7.772 -4.194 1.00 0.00 C ATOM 722 O MET A 124 -6.429 -8.225 -4.405 1.00 0.00 O ATOM 723 CB MET A 124 -8.111 -9.965 -3.130 1.00 0.00 C ATOM 724 CG MET A 124 -9.161 -10.834 -2.457 1.00 0.00 C ATOM 725 SD MET A 124 -9.073 -10.760 -0.657 1.00 0.00 S ATOM 726 CE MET A 124 -10.813 -10.720 -0.235 1.00 0.00 C ATOM 0 H MET A 124 -10.596 -8.201 -3.092 1.00 0.00 H new ATOM 0 HA MET A 124 -8.509 -8.025 -2.298 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.892 -10.373 -4.117 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.187 -10.013 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.152 -10.517 -2.782 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.034 -11.867 -2.781 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.923 -10.602 0.843 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.291 -9.883 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.285 -11.651 -0.548 1.00 0.00 H new ATOM 736 N ASN A 125 -7.992 -6.640 -4.733 1.00 0.00 N ATOM 737 CA ASN A 125 -7.154 -5.847 -5.626 1.00 0.00 C ATOM 738 C ASN A 125 -5.856 -5.451 -4.933 1.00 0.00 C ATOM 739 O ASN A 125 -5.738 -4.349 -4.395 1.00 0.00 O ATOM 740 CB ASN A 125 -7.903 -4.596 -6.087 1.00 0.00 C ATOM 741 CG ASN A 125 -7.002 -3.617 -6.814 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.948 -3.991 -7.330 1.00 0.00 O ATOM 743 ND2 ASN A 125 -7.413 -2.355 -6.859 1.00 0.00 N ATOM 0 H ASN A 125 -8.920 -6.251 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.912 -6.455 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.722 -4.888 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -8.348 -4.103 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.848 -1.651 -7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -8.293 -2.089 -6.418 1.00 0.00 H new ATOM 750 N GLN A 126 -4.886 -6.359 -4.942 1.00 0.00 N ATOM 751 CA GLN A 126 -3.599 -6.106 -4.308 1.00 0.00 C ATOM 752 C GLN A 126 -2.574 -5.602 -5.319 1.00 0.00 C ATOM 753 O GLN A 126 -2.405 -6.182 -6.391 1.00 0.00 O ATOM 754 CB GLN A 126 -3.084 -7.376 -3.627 1.00 0.00 C ATOM 755 CG GLN A 126 -2.353 -8.318 -4.570 1.00 0.00 C ATOM 756 CD GLN A 126 -2.419 -9.764 -4.118 1.00 0.00 C ATOM 757 OE1 GLN A 126 -2.628 -10.669 -4.926 1.00 0.00 O ATOM 758 NE2 GLN A 126 -2.242 -9.988 -2.821 1.00 0.00 N ATOM 0 H GLN A 126 -4.967 -7.276 -5.381 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.743 -5.330 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.414 -7.096 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.925 -7.905 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.783 -8.233 -5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.309 -8.012 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.071 -9.207 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.277 -10.941 -2.459 1.00 0.00 H new ATOM 767 N ILE A 127 -1.892 -4.517 -4.964 1.00 0.00 N ATOM 768 CA ILE A 127 -0.880 -3.928 -5.832 1.00 0.00 C ATOM 769 C ILE A 127 0.494 -4.525 -5.551 1.00 0.00 C ATOM 770 O ILE A 127 0.704 -5.160 -4.517 1.00 0.00 O ATOM 771 CB ILE A 127 -0.806 -2.400 -5.651 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.212 -1.804 -5.573 1.00 0.00 C ATOM 773 CG2 ILE A 127 -0.016 -1.768 -6.787 1.00 0.00 C ATOM 774 CD1 ILE A 127 -3.172 -2.388 -6.585 1.00 0.00 C ATOM 0 H ILE A 127 -2.023 -4.028 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.172 -4.152 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.290 -2.185 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.611 -1.964 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -2.150 -0.726 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.027 -0.688 -6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 127 0.996 -2.173 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.504 -1.989 -7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.149 -1.919 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.796 -2.205 -7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.264 -3.462 -6.422 1.00 0.00 H new ATOM 786 N GLU A 128 1.426 -4.312 -6.473 1.00 0.00 N ATOM 787 CA GLU A 128 2.782 -4.827 -6.323 1.00 0.00 C ATOM 788 C GLU A 128 3.804 -3.700 -6.430 1.00 0.00 C ATOM 789 O GLU A 128 3.827 -2.961 -7.414 1.00 0.00 O ATOM 790 CB GLU A 128 3.068 -5.893 -7.384 1.00 0.00 C ATOM 791 CG GLU A 128 1.920 -6.866 -7.590 1.00 0.00 C ATOM 792 CD GLU A 128 0.926 -6.383 -8.628 1.00 0.00 C ATOM 793 OE1 GLU A 128 0.136 -5.468 -8.313 1.00 0.00 O ATOM 794 OE2 GLU A 128 0.936 -6.919 -9.756 1.00 0.00 O ATOM 0 H GLU A 128 1.267 -3.786 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 128 2.865 -5.279 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.291 -5.401 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.959 -6.451 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.319 -7.833 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.404 -7.020 -6.642 1.00 0.00 H new ATOM 801 N ALA A 129 4.646 -3.572 -5.410 1.00 0.00 N ATOM 802 CA ALA A 129 5.669 -2.533 -5.389 1.00 0.00 C ATOM 803 C ALA A 129 6.227 -2.283 -6.785 1.00 0.00 C ATOM 804 O ALA A 129 6.465 -3.220 -7.547 1.00 0.00 O ATOM 805 CB ALA A 129 6.788 -2.912 -4.432 1.00 0.00 C ATOM 0 H ALA A 129 4.640 -4.175 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 129 5.205 -1.610 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.544 -2.127 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.383 -3.032 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.241 -3.850 -4.755 1.00 0.00 H new ATOM 811 N ASP A 130 6.435 -1.012 -7.115 1.00 0.00 N ATOM 812 CA ASP A 130 6.966 -0.638 -8.420 1.00 0.00 C ATOM 813 C ASP A 130 8.350 -0.011 -8.283 1.00 0.00 C ATOM 814 O ASP A 130 9.095 0.092 -9.258 1.00 0.00 O ATOM 815 CB ASP A 130 6.018 0.337 -9.119 1.00 0.00 C ATOM 816 CG ASP A 130 6.166 1.756 -8.604 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.641 2.047 -7.508 1.00 0.00 O ATOM 818 OD2 ASP A 130 6.805 2.576 -9.295 1.00 0.00 O ATOM 0 H ASP A 130 6.244 -0.224 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 130 7.054 -1.542 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.210 0.321 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.989 0.006 -8.975 1.00 0.00 H new ATOM 823 N LYS A 131 8.687 0.406 -7.068 1.00 0.00 N ATOM 824 CA LYS A 131 9.981 1.023 -6.803 1.00 0.00 C ATOM 825 C LYS A 131 10.621 0.430 -5.551 1.00 0.00 C ATOM 826 O LYS A 131 10.097 0.576 -4.447 1.00 0.00 O ATOM 827 CB LYS A 131 9.826 2.537 -6.642 1.00 0.00 C ATOM 828 CG LYS A 131 10.818 3.342 -7.466 1.00 0.00 C ATOM 829 CD LYS A 131 10.112 4.342 -8.367 1.00 0.00 C ATOM 830 CE LYS A 131 10.858 4.533 -9.679 1.00 0.00 C ATOM 831 NZ LYS A 131 12.311 4.773 -9.463 1.00 0.00 N ATOM 0 H LYS A 131 8.082 0.328 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 131 10.632 0.820 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.813 2.822 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.946 2.796 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.502 3.869 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.421 2.667 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.098 3.998 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.026 5.299 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.725 3.650 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.428 5.375 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.725 5.193 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 12.440 5.423 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.785 3.871 -9.256 1.00 0.00 H new ATOM 845 N SER A 132 11.754 -0.239 -5.733 1.00 0.00 N ATOM 846 CA SER A 132 12.464 -0.855 -4.619 1.00 0.00 C ATOM 847 C SER A 132 12.858 0.190 -3.579 1.00 0.00 C ATOM 848 O SER A 132 12.437 1.344 -3.654 1.00 0.00 O ATOM 849 CB SER A 132 13.709 -1.586 -5.122 1.00 0.00 C ATOM 850 OG SER A 132 14.891 -0.902 -4.743 1.00 0.00 O ATOM 0 H SER A 132 12.200 -0.368 -6.641 1.00 0.00 H new ATOM 0 HA SER A 132 11.794 -1.575 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.727 -2.599 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.669 -1.674 -6.208 1.00 0.00 H new ATOM 0 HG SER A 132 15.673 -1.391 -5.075 1.00 0.00 H new ATOM 856 N GLY A 133 13.669 -0.223 -2.611 1.00 0.00 N ATOM 857 CA GLY A 133 14.108 0.687 -1.571 1.00 0.00 C ATOM 858 C GLY A 133 13.601 0.287 -0.199 1.00 0.00 C ATOM 859 O GLY A 133 13.695 -0.877 0.188 1.00 0.00 O ATOM 0 H GLY A 133 14.030 -1.173 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 133 15.197 0.720 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.762 1.694 -1.804 1.00 0.00 H new ATOM 863 N THR A 134 13.063 1.254 0.537 1.00 0.00 N ATOM 864 CA THR A 134 12.539 0.997 1.873 1.00 0.00 C ATOM 865 C THR A 134 11.355 1.908 2.178 1.00 0.00 C ATOM 866 O THR A 134 11.421 3.119 1.969 1.00 0.00 O ATOM 867 CB THR A 134 13.634 1.197 2.921 1.00 0.00 C ATOM 868 OG1 THR A 134 14.773 0.413 2.612 1.00 0.00 O ATOM 869 CG2 THR A 134 13.194 0.834 4.323 1.00 0.00 C ATOM 0 H THR A 134 12.979 2.223 0.230 1.00 0.00 H new ATOM 0 HA THR A 134 12.197 -0.037 1.908 1.00 0.00 H new ATOM 0 HB THR A 134 13.868 2.261 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.463 0.556 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.018 0.999 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.347 1.456 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.900 -0.215 4.352 1.00 0.00 H new ATOM 877 N VAL A 135 10.272 1.318 2.673 1.00 0.00 N ATOM 878 CA VAL A 135 9.073 2.075 3.007 1.00 0.00 C ATOM 879 C VAL A 135 9.346 3.068 4.131 1.00 0.00 C ATOM 880 O VAL A 135 9.786 2.687 5.217 1.00 0.00 O ATOM 881 CB VAL A 135 7.919 1.146 3.427 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.722 1.956 3.896 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.533 0.225 2.279 1.00 0.00 C ATOM 0 H VAL A 135 10.201 0.316 2.852 1.00 0.00 H new ATOM 0 HA VAL A 135 8.782 2.618 2.108 1.00 0.00 H new ATOM 0 HB VAL A 135 8.258 0.530 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.918 1.281 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 135 7.010 2.569 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.379 2.600 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.716 -0.425 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.214 0.822 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.392 -0.383 1.996 1.00 0.00 H new ATOM 893 N LYS A 136 9.086 4.344 3.864 1.00 0.00 N ATOM 894 CA LYS A 136 9.306 5.392 4.854 1.00 0.00 C ATOM 895 C LYS A 136 8.207 5.383 5.911 1.00 0.00 C ATOM 896 O LYS A 136 8.470 5.588 7.096 1.00 0.00 O ATOM 897 CB LYS A 136 9.366 6.761 4.174 1.00 0.00 C ATOM 898 CG LYS A 136 10.648 7.526 4.461 1.00 0.00 C ATOM 899 CD LYS A 136 10.867 7.709 5.953 1.00 0.00 C ATOM 900 CE LYS A 136 9.751 8.525 6.584 1.00 0.00 C ATOM 901 NZ LYS A 136 9.656 9.888 5.993 1.00 0.00 N ATOM 0 H LYS A 136 8.723 4.677 2.971 1.00 0.00 H new ATOM 0 HA LYS A 136 10.259 5.197 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.266 6.627 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.515 7.358 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.495 6.992 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.607 8.501 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.923 6.733 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.823 8.205 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.802 8.005 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.923 8.606 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.043 10.482 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.605 10.311 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.254 9.824 5.036 1.00 0.00 H new ATOM 915 N ALA A 137 6.974 5.144 5.475 1.00 0.00 N ATOM 916 CA ALA A 137 5.836 5.109 6.386 1.00 0.00 C ATOM 917 C ALA A 137 4.516 5.209 5.628 1.00 0.00 C ATOM 918 O ALA A 137 4.472 5.692 4.498 1.00 0.00 O ATOM 919 CB ALA A 137 5.945 6.231 7.407 1.00 0.00 C ATOM 0 H ALA A 137 6.738 4.972 4.498 1.00 0.00 H new ATOM 0 HA ALA A 137 5.851 4.152 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 137 5.089 6.194 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.864 6.113 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.960 7.192 6.892 1.00 0.00 H new ATOM 925 N ILE A 138 3.442 4.747 6.262 1.00 0.00 N ATOM 926 CA ILE A 138 2.119 4.783 5.653 1.00 0.00 C ATOM 927 C ILE A 138 1.264 5.888 6.267 1.00 0.00 C ATOM 928 O ILE A 138 1.250 6.073 7.484 1.00 0.00 O ATOM 929 CB ILE A 138 1.388 3.431 5.812 1.00 0.00 C ATOM 930 CG1 ILE A 138 2.019 2.374 4.903 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.097 3.583 5.504 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.091 1.222 4.577 1.00 0.00 C ATOM 0 H ILE A 138 3.464 4.343 7.198 1.00 0.00 H new ATOM 0 HA ILE A 138 2.263 4.985 4.592 1.00 0.00 H new ATOM 0 HB ILE A 138 1.490 3.104 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.336 2.848 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.916 1.982 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.593 2.620 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.539 4.305 6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.222 3.933 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.606 0.512 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.794 0.722 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.205 1.601 4.068 1.00 0.00 H new ATOM 944 N LEU A 139 0.546 6.614 5.417 1.00 0.00 N ATOM 945 CA LEU A 139 -0.319 7.694 5.875 1.00 0.00 C ATOM 946 C LEU A 139 -1.763 7.222 5.959 1.00 0.00 C ATOM 947 O LEU A 139 -2.510 7.624 6.852 1.00 0.00 O ATOM 948 CB LEU A 139 -0.225 8.892 4.930 1.00 0.00 C ATOM 949 CG LEU A 139 0.862 9.910 5.279 1.00 0.00 C ATOM 950 CD1 LEU A 139 2.166 9.203 5.615 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.065 10.886 4.129 1.00 0.00 C ATOM 0 H LEU A 139 0.546 6.474 4.407 1.00 0.00 H new ATOM 0 HA LEU A 139 0.014 7.997 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.046 8.525 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.188 9.402 4.918 1.00 0.00 H new ATOM 0 HG LEU A 139 0.540 10.472 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.928 9.943 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.012 8.543 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.493 8.616 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.842 11.604 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.366 10.338 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.133 11.416 3.933 1.00 0.00 H new ATOM 963 N VAL A 140 -2.149 6.369 5.019 1.00 0.00 N ATOM 964 CA VAL A 140 -3.503 5.840 4.977 1.00 0.00 C ATOM 965 C VAL A 140 -3.900 5.233 6.317 1.00 0.00 C ATOM 966 O VAL A 140 -3.241 4.323 6.821 1.00 0.00 O ATOM 967 CB VAL A 140 -3.659 4.775 3.874 1.00 0.00 C ATOM 968 CG1 VAL A 140 -4.976 4.029 4.028 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.560 5.416 2.498 1.00 0.00 C ATOM 0 H VAL A 140 -1.541 6.029 4.274 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.162 6.679 4.754 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.848 4.054 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.066 3.282 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.003 3.536 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -5.804 4.734 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.672 4.650 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.348 6.160 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.588 5.898 2.390 1.00 0.00 H new ATOM 979 N GLU A 141 -4.988 5.742 6.880 1.00 0.00 N ATOM 980 CA GLU A 141 -5.496 5.256 8.153 1.00 0.00 C ATOM 981 C GLU A 141 -5.959 3.817 8.008 1.00 0.00 C ATOM 982 O GLU A 141 -7.148 3.518 8.117 1.00 0.00 O ATOM 983 CB GLU A 141 -6.650 6.134 8.641 1.00 0.00 C ATOM 984 CG GLU A 141 -6.198 7.326 9.467 1.00 0.00 C ATOM 985 CD GLU A 141 -5.434 8.348 8.647 1.00 0.00 C ATOM 986 OE1 GLU A 141 -5.756 8.510 7.452 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.512 8.983 9.200 1.00 0.00 O ATOM 0 H GLU A 141 -5.538 6.497 6.470 1.00 0.00 H new ATOM 0 HA GLU A 141 -4.694 5.301 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -7.213 6.492 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -7.331 5.527 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.069 7.804 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -5.568 6.978 10.286 1.00 0.00 H new ATOM 994 N SER A 142 -5.000 2.939 7.749 1.00 0.00 N ATOM 995 CA SER A 142 -5.265 1.520 7.570 1.00 0.00 C ATOM 996 C SER A 142 -6.481 1.074 8.381 1.00 0.00 C ATOM 997 O SER A 142 -6.783 1.648 9.428 1.00 0.00 O ATOM 998 CB SER A 142 -4.031 0.728 7.978 1.00 0.00 C ATOM 999 OG SER A 142 -4.341 -0.236 8.969 1.00 0.00 O ATOM 0 H SER A 142 -4.016 3.192 7.657 1.00 0.00 H new ATOM 0 HA SER A 142 -5.490 1.334 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.610 0.231 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.268 1.409 8.356 1.00 0.00 H new ATOM 0 HG SER A 142 -3.557 -0.384 9.538 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.187 0.058 7.888 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.366 -0.421 8.580 1.00 0.00 C ATOM 1007 C GLY A 143 -9.578 0.443 8.287 1.00 0.00 C ATOM 1008 O GLY A 143 -10.674 0.180 8.780 1.00 0.00 O ATOM 0 H GLY A 143 -6.963 -0.438 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.571 -1.449 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.178 -0.433 9.654 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.373 1.480 7.478 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.446 2.396 7.109 1.00 0.00 C ATOM 1014 C GLN A 144 -10.550 2.520 5.592 1.00 0.00 C ATOM 1015 O GLN A 144 -9.548 2.429 4.881 1.00 0.00 O ATOM 1016 CB GLN A 144 -10.199 3.774 7.733 1.00 0.00 C ATOM 1017 CG GLN A 144 -11.073 4.878 7.157 1.00 0.00 C ATOM 1018 CD GLN A 144 -10.450 6.252 7.308 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -9.920 6.814 6.350 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -10.513 6.802 8.516 1.00 0.00 N ATOM 0 H GLN A 144 -8.468 1.706 7.065 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.387 1.996 7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -10.371 3.711 8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -9.152 4.043 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.254 4.679 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -12.043 4.866 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -10.962 6.300 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -10.112 7.726 8.677 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.770 2.729 5.077 1.00 0.00 N ATOM 1030 CA PRO A 145 -12.012 2.868 3.635 1.00 0.00 C ATOM 1031 C PRO A 145 -11.222 4.022 3.025 1.00 0.00 C ATOM 1032 O PRO A 145 -11.618 5.183 3.133 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.519 3.141 3.541 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.927 3.568 4.910 1.00 0.00 C ATOM 1035 CD PRO A 145 -13.010 2.848 5.855 1.00 0.00 C ATOM 0 HA PRO A 145 -11.696 1.982 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.733 3.917 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -14.062 2.249 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.837 4.648 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.968 3.312 5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.857 3.409 6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -13.405 1.872 6.138 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.106 3.694 2.383 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.261 4.703 1.751 1.00 0.00 C ATOM 1045 C VAL A 146 -9.991 5.388 0.601 1.00 0.00 C ATOM 1046 O VAL A 146 -11.030 4.913 0.143 1.00 0.00 O ATOM 1047 CB VAL A 146 -7.954 4.087 1.220 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -8.241 3.128 0.075 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -6.988 5.178 0.782 1.00 0.00 C ATOM 0 H VAL A 146 -9.765 2.738 2.286 1.00 0.00 H new ATOM 0 HA VAL A 146 -9.021 5.441 2.517 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.487 3.523 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -7.305 2.703 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -8.892 2.327 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -8.732 3.666 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -6.070 4.723 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.445 5.773 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -6.756 5.821 1.631 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.444 6.508 0.141 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.047 7.257 -0.955 1.00 0.00 C ATOM 1061 C GLU A 147 -9.039 7.487 -2.077 1.00 0.00 C ATOM 1062 O GLU A 147 -7.877 7.093 -1.972 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.580 8.599 -0.452 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.947 8.501 0.207 1.00 0.00 C ATOM 1065 CD GLU A 147 -13.080 8.501 -0.799 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -13.140 9.434 -1.627 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -13.909 7.567 -0.760 1.00 0.00 O ATOM 0 H GLU A 147 -8.585 6.917 0.510 1.00 0.00 H new ATOM 0 HA GLU A 147 -10.876 6.669 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -9.871 9.018 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -10.638 9.295 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.995 7.589 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.076 9.337 0.894 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.492 8.125 -3.151 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.633 8.407 -4.294 1.00 0.00 C ATOM 1076 C PHE A 148 -7.566 9.437 -3.932 1.00 0.00 C ATOM 1077 O PHE A 148 -7.871 10.488 -3.367 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.467 8.906 -5.471 1.00 0.00 C ATOM 1079 CG PHE A 148 -8.675 9.673 -6.494 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -7.398 9.259 -6.854 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.208 10.806 -7.097 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -6.666 9.964 -7.797 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.482 11.515 -8.040 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.208 11.093 -8.391 1.00 0.00 C ATOM 0 H PHE A 148 -10.451 8.457 -3.253 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.133 7.482 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -9.940 8.053 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.268 9.542 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -6.972 8.379 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.200 11.138 -6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -5.674 9.634 -8.069 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.907 12.394 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.639 11.643 -9.126 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.316 9.127 -4.257 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.205 10.026 -3.965 1.00 0.00 C ATOM 1096 C ASP A 149 -4.823 9.955 -2.490 1.00 0.00 C ATOM 1097 O ASP A 149 -4.662 10.983 -1.831 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.569 11.462 -4.342 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.421 12.195 -5.009 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.269 12.064 -6.242 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -3.674 12.900 -4.299 1.00 0.00 O ATOM 0 H ASP A 149 -6.046 8.260 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.348 9.710 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.428 11.452 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.871 12.004 -3.446 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.683 8.737 -1.976 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.323 8.534 -0.578 1.00 0.00 C ATOM 1108 C GLU A 150 -2.995 7.792 -0.462 1.00 0.00 C ATOM 1109 O GLU A 150 -2.893 6.618 -0.818 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.420 7.752 0.145 1.00 0.00 C ATOM 1111 CG GLU A 150 -5.921 8.433 1.408 1.00 0.00 C ATOM 1112 CD GLU A 150 -4.800 9.038 2.229 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -3.838 8.308 2.549 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -4.882 10.242 2.550 1.00 0.00 O ATOM 0 H GLU A 150 -4.813 7.876 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.216 9.513 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.259 7.605 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.041 6.763 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.631 9.215 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -6.462 7.708 2.017 1.00 0.00 H new ATOM 1121 N PRO A 151 -1.955 8.475 0.040 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.624 7.882 0.206 1.00 0.00 C ATOM 1123 C PRO A 151 -0.668 6.569 0.979 1.00 0.00 C ATOM 1124 O PRO A 151 -0.475 6.545 2.194 1.00 0.00 O ATOM 1125 CB PRO A 151 0.144 8.943 0.997 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.547 10.226 0.681 1.00 0.00 C ATOM 1127 CD PRO A 151 -1.997 9.878 0.485 1.00 0.00 C ATOM 0 HA PRO A 151 -0.167 7.633 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.120 8.734 2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 151 1.193 8.975 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.424 10.945 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.130 10.683 -0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.565 9.990 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.468 10.521 -0.259 1.00 0.00 H new ATOM 1135 N LEU A 152 -0.925 5.477 0.265 1.00 0.00 N ATOM 1136 CA LEU A 152 -0.997 4.158 0.883 1.00 0.00 C ATOM 1137 C LEU A 152 0.344 3.770 1.499 1.00 0.00 C ATOM 1138 O LEU A 152 0.402 3.301 2.636 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.420 3.112 -0.150 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.791 3.348 -0.785 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.851 2.728 -2.172 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.891 2.783 0.101 1.00 0.00 C ATOM 0 H LEU A 152 -1.087 5.480 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.742 4.196 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.671 3.081 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.421 2.132 0.327 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.945 4.423 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.834 2.906 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.086 3.178 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.676 1.655 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.860 2.959 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.740 1.711 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.862 3.273 1.074 1.00 0.00 H new ATOM 1154 N VAL A 153 1.417 3.969 0.743 1.00 0.00 N ATOM 1155 CA VAL A 153 2.755 3.640 1.217 1.00 0.00 C ATOM 1156 C VAL A 153 3.805 4.533 0.565 1.00 0.00 C ATOM 1157 O VAL A 153 3.915 4.584 -0.660 1.00 0.00 O ATOM 1158 CB VAL A 153 3.106 2.167 0.936 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.294 1.729 1.779 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.902 1.273 1.193 1.00 0.00 C ATOM 0 H VAL A 153 1.386 4.356 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 153 2.757 3.807 2.294 1.00 0.00 H new ATOM 0 HB VAL A 153 3.382 2.073 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.526 0.686 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.158 2.349 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.050 1.838 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.169 0.236 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.592 1.370 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.081 1.571 0.541 1.00 0.00 H new ATOM 1170 N VAL A 154 4.573 5.236 1.390 1.00 0.00 N ATOM 1171 CA VAL A 154 5.612 6.127 0.890 1.00 0.00 C ATOM 1172 C VAL A 154 6.989 5.481 0.996 1.00 0.00 C ATOM 1173 O VAL A 154 7.468 5.191 2.092 1.00 0.00 O ATOM 1174 CB VAL A 154 5.621 7.466 1.654 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.205 7.995 1.817 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.296 7.308 3.008 1.00 0.00 C ATOM 0 H VAL A 154 4.495 5.206 2.407 1.00 0.00 H new ATOM 0 HA VAL A 154 5.386 6.319 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 154 6.193 8.189 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.230 8.941 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.760 8.151 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.609 7.273 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.292 8.265 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.756 6.569 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.325 6.977 2.865 1.00 0.00 H new ATOM 1186 N ILE A 155 7.621 5.260 -0.152 1.00 0.00 N ATOM 1187 CA ILE A 155 8.943 4.647 -0.194 1.00 0.00 C ATOM 1188 C ILE A 155 10.037 5.689 0.014 1.00 0.00 C ATOM 1189 O ILE A 155 9.888 6.848 -0.373 1.00 0.00 O ATOM 1190 CB ILE A 155 9.186 3.926 -1.533 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.935 3.153 -1.957 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.382 2.992 -1.425 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.651 3.231 -3.440 1.00 0.00 C ATOM 0 H ILE A 155 7.238 5.497 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 155 8.979 3.917 0.615 1.00 0.00 H new ATOM 0 HB ILE A 155 9.403 4.674 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.050 2.107 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.076 3.540 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.540 2.491 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.271 3.567 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.194 2.248 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.751 2.661 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.504 4.272 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.493 2.817 -3.994 1.00 0.00 H new ATOM 1205 N GLU A 156 11.138 5.267 0.628 1.00 0.00 N ATOM 1206 CA GLU A 156 12.259 6.163 0.889 1.00 0.00 C ATOM 1207 C GLU A 156 13.160 6.276 -0.336 1.00 0.00 C ATOM 1208 O GLU A 156 13.033 5.430 -1.244 1.00 0.00 O ATOM 1209 CB GLU A 156 13.067 5.662 2.088 1.00 0.00 C ATOM 1210 CG GLU A 156 14.310 6.491 2.372 1.00 0.00 C ATOM 1211 CD GLU A 156 15.158 5.905 3.483 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.836 4.794 3.955 1.00 0.00 O ATOM 1213 OE2 GLU A 156 16.145 6.558 3.883 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.985 7.213 -0.376 1.00 0.00 O ATOM 0 H GLU A 156 11.278 4.311 0.954 1.00 0.00 H new ATOM 0 HA GLU A 156 11.860 7.152 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.429 5.664 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.363 4.628 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.908 6.566 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 156 14.013 7.504 2.642 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.016 -10.738 2.576 1.00 0.00 C HETATM 1223 O11 BTN A 222 -15.019 -10.475 3.238 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.099 -11.845 3.059 1.00 0.00 C HETATM 1225 C9 BTN A 222 -12.486 -11.543 4.416 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.872 -10.153 4.455 1.00 0.00 C HETATM 1227 C7 BTN A 222 -10.411 -10.177 4.035 1.00 0.00 C HETATM 1228 C2 BTN A 222 -9.659 -8.883 4.357 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.719 -7.585 3.052 1.00 0.00 S HETATM 1230 C6 BTN A 222 -8.159 -6.828 3.668 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.286 -7.997 4.110 1.00 0.00 C HETATM 1232 N1 BTN A 222 -6.562 -8.597 2.997 1.00 0.00 N HETATM 1233 C3 BTN A 222 -6.872 -9.872 2.758 1.00 0.00 C HETATM 1234 O3 BTN A 222 -6.397 -10.588 1.877 1.00 0.00 O HETATM 1235 N2 BTN A 222 -7.793 -10.224 3.653 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.162 -9.161 4.577 1.00 0.00 C HETATM 0 H102 BTN A 222 -13.660 -12.778 3.117 1.00 0.00 H new HETATM 0 H101 BTN A 222 -12.303 -11.997 2.330 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -8.204 -11.157 3.688 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -5.874 -8.084 2.446 1.00 0.00 H new HETATM 0 H92 BTN A 222 -13.251 -11.625 5.188 1.00 0.00 H new HETATM 0 H91 BTN A 222 -11.722 -12.286 4.644 1.00 0.00 H new HETATM 0 H82 BTN A 222 -12.430 -9.489 3.795 1.00 0.00 H new HETATM 0 H81 BTN A 222 -11.955 -9.745 5.463 1.00 0.00 H new HETATM 0 H72 BTN A 222 -9.913 -11.010 4.531 1.00 0.00 H new HETATM 0 H71 BTN A 222 -10.353 -10.364 2.963 1.00 0.00 H new HETATM 0 H62 BTN A 222 -7.670 -6.246 2.887 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.354 -6.148 4.497 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.626 -7.584 4.872 1.00 0.00 H new HETATM 0 H4 BTN A 222 -8.018 -9.368 5.637 1.00 0.00 H new HETATM 0 H2 BTN A 222 -10.173 -8.515 5.245 1.00 0.00 H new