USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 631 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 122 HIS : no HE2:sc= 1.23 K(o=2.1,f=-7.6!) USER MOD Set 1.2: A 155 THR OG1 : rot 180:sc= 0.855 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -71:sc= 0.538 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.0026) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 105 CYS SG : rot 180:sc= -0.92 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -1.91 K(o=-1.9,f=-7.1!) USER MOD Single : A 130 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.57) USER MOD Single : A 131 SER OG : rot 180:sc= -0.614 USER MOD Single : A 135 THR OG1 : rot -170:sc= -0.906 USER MOD Single : A 137 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-2.1!) USER MOD Single : A 139 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 142 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.41) USER MOD Single : A 145 SER OG : rot 59:sc= 0.326 USER MOD Single : A 146 ASN :FLIP amide:sc= -0.0282 F(o=-0.82,f=-0.028) USER MOD Single : A 152 HIS :FLIP no HD1:sc= -2.37! C(o=-3.8!,f=-2.4!) USER MOD Single : A 153 MET CE :methyl -172:sc= -5.59! (180deg=-5.77!) USER MOD Single : A 156 MET CE :methyl 163:sc= -0.361 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 81 -5.820 -7.924 -10.323 1.00 0.00 N ATOM 32 CA VAL A 81 -4.597 -7.220 -9.955 1.00 0.00 C ATOM 33 C VAL A 81 -4.809 -5.710 -9.974 1.00 0.00 C ATOM 34 O VAL A 81 -5.197 -5.141 -10.995 1.00 0.00 O ATOM 35 CB VAL A 81 -3.432 -7.576 -10.899 1.00 0.00 C ATOM 36 CG1 VAL A 81 -2.136 -6.941 -10.418 1.00 0.00 C ATOM 37 CG2 VAL A 81 -3.282 -9.086 -11.016 1.00 0.00 C ATOM 0 HA VAL A 81 -4.342 -7.538 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.658 -7.177 -11.888 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.327 -7.205 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.249 -5.857 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.902 -7.305 -9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.455 -9.319 -11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.081 -9.509 -10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.202 -9.513 -11.414 1.00 0.00 H new ATOM 47 N THR A 82 -4.551 -5.066 -8.840 1.00 0.00 N ATOM 48 CA THR A 82 -4.713 -3.623 -8.730 1.00 0.00 C ATOM 49 C THR A 82 -3.361 -2.935 -8.583 1.00 0.00 C ATOM 50 O THR A 82 -2.491 -3.404 -7.850 1.00 0.00 O ATOM 51 CB THR A 82 -5.612 -3.278 -7.537 1.00 0.00 C ATOM 52 OG1 THR A 82 -6.976 -3.461 -7.870 1.00 0.00 O ATOM 53 CG2 THR A 82 -5.450 -1.853 -7.036 1.00 0.00 C ATOM 0 H THR A 82 -4.229 -5.521 -7.986 1.00 0.00 H new ATOM 0 HA THR A 82 -5.184 -3.263 -9.644 1.00 0.00 H new ATOM 0 HB THR A 82 -5.298 -3.956 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.257 -2.761 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.119 -1.686 -6.192 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.419 -1.694 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.696 -1.156 -7.837 1.00 0.00 H new ATOM 61 N THR A 83 -3.195 -1.812 -9.274 1.00 0.00 N ATOM 62 CA THR A 83 -1.951 -1.059 -9.200 1.00 0.00 C ATOM 63 C THR A 83 -2.097 0.102 -8.224 1.00 0.00 C ATOM 64 O THR A 83 -2.833 1.055 -8.482 1.00 0.00 O ATOM 65 CB THR A 83 -1.562 -0.538 -10.585 1.00 0.00 C ATOM 66 OG1 THR A 83 -1.681 -1.560 -11.557 1.00 0.00 O ATOM 67 CG2 THR A 83 -0.146 -0.006 -10.648 1.00 0.00 C ATOM 0 H THR A 83 -3.902 -1.406 -9.887 1.00 0.00 H new ATOM 0 HA THR A 83 -1.163 -1.722 -8.843 1.00 0.00 H new ATOM 0 HB THR A 83 -2.250 0.282 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.430 -1.207 -12.436 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.065 0.347 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.036 0.819 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.553 -0.801 -10.388 1.00 0.00 H new ATOM 75 N VAL A 84 -1.401 0.011 -7.098 1.00 0.00 N ATOM 76 CA VAL A 84 -1.458 1.039 -6.079 1.00 0.00 C ATOM 77 C VAL A 84 -0.479 2.174 -6.366 1.00 0.00 C ATOM 78 O VAL A 84 0.730 2.031 -6.177 1.00 0.00 O ATOM 79 CB VAL A 84 -1.142 0.449 -4.692 1.00 0.00 C ATOM 80 CG1 VAL A 84 -1.235 1.515 -3.612 1.00 0.00 C ATOM 81 CG2 VAL A 84 -2.069 -0.718 -4.388 1.00 0.00 C ATOM 0 H VAL A 84 -0.788 -0.772 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.472 1.438 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.117 0.078 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.007 1.072 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.521 2.311 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.244 1.928 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.833 -1.124 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.103 -0.374 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.936 -1.494 -5.142 1.00 0.00 H new ATOM 91 N LEU A 85 -1.017 3.309 -6.796 1.00 0.00 N ATOM 92 CA LEU A 85 -0.209 4.488 -7.078 1.00 0.00 C ATOM 93 C LEU A 85 -0.384 5.497 -5.950 1.00 0.00 C ATOM 94 O LEU A 85 -1.212 6.403 -6.035 1.00 0.00 O ATOM 95 CB LEU A 85 -0.615 5.112 -8.416 1.00 0.00 C ATOM 96 CG LEU A 85 0.288 6.249 -8.901 1.00 0.00 C ATOM 97 CD1 LEU A 85 0.238 6.359 -10.417 1.00 0.00 C ATOM 98 CD2 LEU A 85 -0.119 7.564 -8.255 1.00 0.00 C ATOM 0 H LEU A 85 -2.016 3.437 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 85 0.839 4.196 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.628 4.330 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.634 5.489 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 85 1.313 6.025 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.886 7.172 -10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.578 5.423 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.785 6.560 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.533 8.361 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.151 7.795 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.031 7.480 -7.172 1.00 0.00 H new ATOM 110 N ILE A 86 0.382 5.314 -4.881 1.00 0.00 N ATOM 111 CA ILE A 86 0.289 6.186 -3.717 1.00 0.00 C ATOM 112 C ILE A 86 1.080 7.472 -3.906 1.00 0.00 C ATOM 113 O ILE A 86 2.245 7.452 -4.302 1.00 0.00 O ATOM 114 CB ILE A 86 0.782 5.473 -2.443 1.00 0.00 C ATOM 115 CG1 ILE A 86 0.157 4.080 -2.342 1.00 0.00 C ATOM 116 CG2 ILE A 86 0.448 6.300 -1.211 1.00 0.00 C ATOM 117 CD1 ILE A 86 1.023 3.071 -1.620 1.00 0.00 C ATOM 0 H ILE A 86 1.074 4.570 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.766 6.438 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 86 1.865 5.363 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.800 4.158 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.052 3.712 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.802 5.783 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.933 7.273 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.631 6.437 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.512 2.109 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.971 2.962 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.211 3.415 -0.603 1.00 0.00 H new ATOM 129 N ARG A 87 0.425 8.591 -3.618 1.00 0.00 N ATOM 130 CA ARG A 87 1.043 9.905 -3.748 1.00 0.00 C ATOM 131 C ARG A 87 1.679 10.328 -2.427 1.00 0.00 C ATOM 132 O ARG A 87 1.014 10.364 -1.391 1.00 0.00 O ATOM 133 CB ARG A 87 0.009 10.956 -4.186 1.00 0.00 C ATOM 134 CG ARG A 87 -1.273 10.381 -4.789 1.00 0.00 C ATOM 135 CD ARG A 87 -1.607 11.037 -6.119 1.00 0.00 C ATOM 136 NE ARG A 87 -2.902 10.602 -6.636 1.00 0.00 N ATOM 137 CZ ARG A 87 -3.586 11.258 -7.570 1.00 0.00 C ATOM 138 NH1 ARG A 87 -3.103 12.380 -8.091 1.00 0.00 N ATOM 139 NH2 ARG A 87 -4.755 10.793 -7.986 1.00 0.00 N ATOM 0 H ARG A 87 -0.541 8.614 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 87 1.818 9.837 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.254 11.568 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.472 11.619 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.159 9.306 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.100 10.525 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.611 12.120 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.829 10.800 -6.845 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.306 9.745 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.203 12.743 -7.775 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.632 12.879 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.131 9.932 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.279 11.297 -8.702 1.00 0.00 H new ATOM 153 N ARG A 88 2.969 10.646 -2.466 1.00 0.00 N ATOM 154 CA ARG A 88 3.684 11.062 -1.265 1.00 0.00 C ATOM 155 C ARG A 88 4.387 12.403 -1.486 1.00 0.00 C ATOM 156 O ARG A 88 5.236 12.525 -2.370 1.00 0.00 O ATOM 157 CB ARG A 88 4.705 9.997 -0.859 1.00 0.00 C ATOM 158 CG ARG A 88 4.592 9.573 0.596 1.00 0.00 C ATOM 159 CD ARG A 88 5.248 8.221 0.837 1.00 0.00 C ATOM 160 NE ARG A 88 6.516 8.346 1.552 1.00 0.00 N ATOM 161 CZ ARG A 88 6.622 8.394 2.878 1.00 0.00 C ATOM 162 NH1 ARG A 88 5.539 8.342 3.644 1.00 0.00 N ATOM 163 NH2 ARG A 88 7.818 8.498 3.442 1.00 0.00 N ATOM 0 H ARG A 88 3.538 10.624 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 88 2.957 11.182 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.577 9.121 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.709 10.380 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.060 10.324 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.541 9.524 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.571 7.587 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.418 7.725 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 88 7.373 8.400 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.616 8.265 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.630 8.379 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.654 8.541 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.901 8.535 4.458 1.00 0.00 H new ATOM 177 N PRO A 89 4.044 13.429 -0.685 1.00 0.00 N ATOM 178 CA PRO A 89 4.651 14.758 -0.805 1.00 0.00 C ATOM 179 C PRO A 89 6.084 14.786 -0.280 1.00 0.00 C ATOM 180 O PRO A 89 6.907 15.579 -0.738 1.00 0.00 O ATOM 181 CB PRO A 89 3.748 15.638 0.058 1.00 0.00 C ATOM 182 CG PRO A 89 3.187 14.712 1.079 1.00 0.00 C ATOM 183 CD PRO A 89 3.040 13.379 0.397 1.00 0.00 C ATOM 0 HA PRO A 89 4.720 15.085 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.311 16.447 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.959 16.099 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.848 14.637 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.225 15.071 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.231 12.554 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.033 13.239 0.003 1.00 0.00 H new ATOM 191 N ASP A 90 6.373 13.916 0.681 1.00 0.00 N ATOM 192 CA ASP A 90 7.707 13.842 1.268 1.00 0.00 C ATOM 193 C ASP A 90 7.819 12.656 2.220 1.00 0.00 C ATOM 194 O ASP A 90 6.937 11.800 2.267 1.00 0.00 O ATOM 195 CB ASP A 90 8.033 15.142 2.008 1.00 0.00 C ATOM 196 CG ASP A 90 9.473 15.573 1.809 1.00 0.00 C ATOM 197 OD1 ASP A 90 10.382 14.802 2.186 1.00 0.00 O ATOM 198 OD2 ASP A 90 9.692 16.680 1.275 1.00 0.00 O ATOM 0 H ASP A 90 5.703 13.253 1.070 1.00 0.00 H new ATOM 0 HA ASP A 90 8.426 13.702 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.368 15.932 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.840 15.010 3.073 1.00 0.00 H new ATOM 203 N LEU A 91 8.911 12.615 2.976 1.00 0.00 N ATOM 204 CA LEU A 91 9.143 11.533 3.928 1.00 0.00 C ATOM 205 C LEU A 91 8.365 11.750 5.225 1.00 0.00 C ATOM 206 O LEU A 91 8.363 10.889 6.106 1.00 0.00 O ATOM 207 CB LEU A 91 10.636 11.419 4.241 1.00 0.00 C ATOM 208 CG LEU A 91 11.429 10.516 3.294 1.00 0.00 C ATOM 209 CD1 LEU A 91 12.051 11.331 2.173 1.00 0.00 C ATOM 210 CD2 LEU A 91 12.500 9.752 4.059 1.00 0.00 C ATOM 0 H LEU A 91 9.650 13.318 2.949 1.00 0.00 H new ATOM 0 HA LEU A 91 8.791 10.609 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.074 12.417 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.751 11.044 5.258 1.00 0.00 H new ATOM 0 HG LEU A 91 10.742 9.795 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.611 10.671 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.265 11.831 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.724 12.077 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.054 9.115 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 91 13.184 10.458 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.030 9.135 4.825 1.00 0.00 H new ATOM 222 N ARG A 92 7.710 12.901 5.344 1.00 0.00 N ATOM 223 CA ARG A 92 6.939 13.216 6.539 1.00 0.00 C ATOM 224 C ARG A 92 5.443 13.032 6.294 1.00 0.00 C ATOM 225 O ARG A 92 4.614 13.678 6.935 1.00 0.00 O ATOM 226 CB ARG A 92 7.228 14.651 6.988 1.00 0.00 C ATOM 227 CG ARG A 92 6.675 15.710 6.048 1.00 0.00 C ATOM 228 CD ARG A 92 7.603 16.910 5.947 1.00 0.00 C ATOM 229 NE ARG A 92 7.778 17.578 7.236 1.00 0.00 N ATOM 230 CZ ARG A 92 8.820 17.383 8.046 1.00 0.00 C ATOM 231 NH1 ARG A 92 9.791 16.543 7.710 1.00 0.00 N ATOM 232 NH2 ARG A 92 8.889 18.036 9.198 1.00 0.00 N ATOM 0 H ARG A 92 7.698 13.628 4.629 1.00 0.00 H new ATOM 0 HA ARG A 92 7.239 12.527 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.805 14.803 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.306 14.784 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.529 15.278 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.696 16.035 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.574 16.587 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.201 17.619 5.223 1.00 0.00 H new ATOM 0 HE ARG A 92 7.057 18.235 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.745 16.039 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.583 16.402 8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.147 18.684 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.684 17.890 9.820 1.00 0.00 H new ATOM 246 N TYR A 93 5.106 12.145 5.363 1.00 0.00 N ATOM 247 CA TYR A 93 3.712 11.873 5.035 1.00 0.00 C ATOM 248 C TYR A 93 3.480 10.378 4.841 1.00 0.00 C ATOM 249 O TYR A 93 3.457 9.885 3.713 1.00 0.00 O ATOM 250 CB TYR A 93 3.305 12.635 3.772 1.00 0.00 C ATOM 251 CG TYR A 93 2.646 13.967 4.054 1.00 0.00 C ATOM 252 CD1 TYR A 93 3.351 14.997 4.666 1.00 0.00 C ATOM 253 CD2 TYR A 93 1.320 14.194 3.712 1.00 0.00 C ATOM 254 CE1 TYR A 93 2.753 16.215 4.926 1.00 0.00 C ATOM 255 CE2 TYR A 93 0.714 15.409 3.968 1.00 0.00 C ATOM 256 CZ TYR A 93 1.434 16.416 4.576 1.00 0.00 C ATOM 257 OH TYR A 93 0.834 17.627 4.834 1.00 0.00 O ATOM 0 H TYR A 93 5.780 11.603 4.823 1.00 0.00 H new ATOM 0 HA TYR A 93 3.096 12.211 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.189 12.800 3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.622 12.017 3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.383 14.842 4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.752 13.407 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.315 17.006 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.318 15.569 3.693 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.096 17.604 4.525 1.00 0.00 H new ATOM 267 N GLN A 94 3.312 9.663 5.948 1.00 0.00 N ATOM 268 CA GLN A 94 3.085 8.222 5.903 1.00 0.00 C ATOM 269 C GLN A 94 1.808 7.894 5.136 1.00 0.00 C ATOM 270 O GLN A 94 0.951 8.754 4.938 1.00 0.00 O ATOM 271 CB GLN A 94 3.000 7.654 7.320 1.00 0.00 C ATOM 272 CG GLN A 94 4.357 7.450 7.975 1.00 0.00 C ATOM 273 CD GLN A 94 4.891 8.719 8.613 1.00 0.00 C ATOM 274 OE1 GLN A 94 4.680 8.966 9.801 1.00 0.00 O ATOM 275 NE2 GLN A 94 5.586 9.531 7.825 1.00 0.00 N ATOM 0 H GLN A 94 3.329 10.058 6.888 1.00 0.00 H new ATOM 0 HA GLN A 94 3.927 7.764 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.405 8.327 7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.473 6.700 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.277 6.672 8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.068 7.096 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.736 9.286 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.969 10.399 8.198 1.00 0.00 H new ATOM 284 N LEU A 95 1.689 6.640 4.707 1.00 0.00 N ATOM 285 CA LEU A 95 0.517 6.193 3.963 1.00 0.00 C ATOM 286 C LEU A 95 -0.644 5.903 4.910 1.00 0.00 C ATOM 287 O LEU A 95 -1.668 6.587 4.877 1.00 0.00 O ATOM 288 CB LEU A 95 0.855 4.946 3.142 1.00 0.00 C ATOM 289 CG LEU A 95 2.244 4.959 2.492 1.00 0.00 C ATOM 290 CD1 LEU A 95 3.119 3.857 3.070 1.00 0.00 C ATOM 291 CD2 LEU A 95 2.133 4.813 0.980 1.00 0.00 C ATOM 0 H LEU A 95 2.391 5.916 4.862 1.00 0.00 H new ATOM 0 HA LEU A 95 0.216 6.991 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.780 4.072 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.105 4.829 2.360 1.00 0.00 H new ATOM 0 HG LEU A 95 2.711 5.919 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.100 3.884 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.232 4.007 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.654 2.889 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.130 4.825 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.641 3.870 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.548 5.640 0.577 1.00 0.00 H new ATOM 303 N GLY A 96 -0.477 4.893 5.757 1.00 0.00 N ATOM 304 CA GLY A 96 -1.518 4.542 6.707 1.00 0.00 C ATOM 305 C GLY A 96 -2.120 3.175 6.445 1.00 0.00 C ATOM 306 O GLY A 96 -3.329 3.050 6.242 1.00 0.00 O ATOM 0 H GLY A 96 0.360 4.311 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.105 4.564 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.306 5.294 6.669 1.00 0.00 H new ATOM 310 N PHE A 97 -1.280 2.144 6.458 1.00 0.00 N ATOM 311 CA PHE A 97 -1.748 0.781 6.225 1.00 0.00 C ATOM 312 C PHE A 97 -0.692 -0.242 6.641 1.00 0.00 C ATOM 313 O PHE A 97 0.466 -0.157 6.233 1.00 0.00 O ATOM 314 CB PHE A 97 -2.127 0.593 4.750 1.00 0.00 C ATOM 315 CG PHE A 97 -0.958 0.341 3.840 1.00 0.00 C ATOM 316 CD1 PHE A 97 -0.257 1.397 3.278 1.00 0.00 C ATOM 317 CD2 PHE A 97 -0.564 -0.953 3.543 1.00 0.00 C ATOM 318 CE1 PHE A 97 0.815 1.164 2.438 1.00 0.00 C ATOM 319 CE2 PHE A 97 0.508 -1.191 2.703 1.00 0.00 C ATOM 320 CZ PHE A 97 1.198 -0.131 2.152 1.00 0.00 C ATOM 0 H PHE A 97 -0.277 2.225 6.626 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.634 0.617 6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.823 -0.242 4.669 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.655 1.482 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.552 2.412 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.100 -1.786 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.353 1.995 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.805 -2.205 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.037 -0.314 1.497 1.00 0.00 H new ATOM 330 N SER A 98 -1.103 -1.209 7.457 1.00 0.00 N ATOM 331 CA SER A 98 -0.198 -2.250 7.931 1.00 0.00 C ATOM 332 C SER A 98 0.147 -3.222 6.807 1.00 0.00 C ATOM 333 O SER A 98 -0.694 -3.529 5.959 1.00 0.00 O ATOM 334 CB SER A 98 -0.825 -3.006 9.103 1.00 0.00 C ATOM 335 OG SER A 98 0.157 -3.728 9.828 1.00 0.00 O ATOM 0 H SER A 98 -2.059 -1.293 7.804 1.00 0.00 H new ATOM 0 HA SER A 98 0.722 -1.772 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.327 -2.302 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.586 -3.693 8.732 1.00 0.00 H new ATOM 0 HG SER A 98 -0.269 -4.201 10.573 1.00 0.00 H new ATOM 341 N VAL A 99 1.386 -3.703 6.805 1.00 0.00 N ATOM 342 CA VAL A 99 1.842 -4.635 5.781 1.00 0.00 C ATOM 343 C VAL A 99 2.104 -6.022 6.359 1.00 0.00 C ATOM 344 O VAL A 99 2.712 -6.163 7.422 1.00 0.00 O ATOM 345 CB VAL A 99 3.135 -4.140 5.101 1.00 0.00 C ATOM 346 CG1 VAL A 99 3.560 -5.094 3.992 1.00 0.00 C ATOM 347 CG2 VAL A 99 2.953 -2.729 4.563 1.00 0.00 C ATOM 0 H VAL A 99 2.092 -3.463 7.501 1.00 0.00 H new ATOM 0 HA VAL A 99 1.040 -4.694 5.045 1.00 0.00 H new ATOM 0 HB VAL A 99 3.927 -4.117 5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.474 -4.726 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.740 -6.083 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.770 -5.156 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.877 -2.399 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.145 -2.720 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.707 -2.056 5.384 1.00 0.00 H new ATOM 357 N GLN A 100 1.663 -7.041 5.633 1.00 0.00 N ATOM 358 CA GLN A 100 1.867 -8.422 6.041 1.00 0.00 C ATOM 359 C GLN A 100 2.314 -9.246 4.841 1.00 0.00 C ATOM 360 O GLN A 100 1.491 -9.817 4.124 1.00 0.00 O ATOM 361 CB GLN A 100 0.579 -9.003 6.630 1.00 0.00 C ATOM 362 CG GLN A 100 0.128 -8.309 7.905 1.00 0.00 C ATOM 363 CD GLN A 100 0.499 -9.086 9.154 1.00 0.00 C ATOM 364 OE1 GLN A 100 -0.339 -9.761 9.751 1.00 0.00 O ATOM 365 NE2 GLN A 100 1.761 -8.992 9.557 1.00 0.00 N ATOM 0 H GLN A 100 1.159 -6.934 4.753 1.00 0.00 H new ATOM 0 HA GLN A 100 2.640 -8.454 6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.215 -8.932 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.729 -10.063 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.576 -7.317 7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.953 -8.170 7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.423 -8.421 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.068 -9.491 10.392 1.00 0.00 H new ATOM 374 N ASN A 101 3.623 -9.283 4.617 1.00 0.00 N ATOM 375 CA ASN A 101 4.189 -10.016 3.489 1.00 0.00 C ATOM 376 C ASN A 101 3.538 -9.587 2.176 1.00 0.00 C ATOM 377 O ASN A 101 3.567 -10.320 1.187 1.00 0.00 O ATOM 378 CB ASN A 101 4.020 -11.523 3.692 1.00 0.00 C ATOM 379 CG ASN A 101 4.774 -12.032 4.904 1.00 0.00 C ATOM 380 OD1 ASN A 101 5.776 -11.448 5.318 1.00 0.00 O ATOM 381 ND2 ASN A 101 4.296 -13.129 5.482 1.00 0.00 N ATOM 0 H ASN A 101 4.314 -8.813 5.202 1.00 0.00 H new ATOM 0 HA ASN A 101 5.253 -9.784 3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.961 -11.755 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.370 -12.048 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.762 -13.518 6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.463 -13.582 5.106 1.00 0.00 H new ATOM 388 N GLY A 102 2.951 -8.392 2.174 1.00 0.00 N ATOM 389 CA GLY A 102 2.303 -7.882 0.981 1.00 0.00 C ATOM 390 C GLY A 102 0.840 -7.563 1.211 1.00 0.00 C ATOM 391 O GLY A 102 0.298 -6.638 0.609 1.00 0.00 O ATOM 0 H GLY A 102 2.914 -7.768 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.820 -6.983 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.391 -8.617 0.181 1.00 0.00 H new ATOM 395 N ILE A 103 0.199 -8.334 2.081 1.00 0.00 N ATOM 396 CA ILE A 103 -1.211 -8.135 2.384 1.00 0.00 C ATOM 397 C ILE A 103 -1.426 -6.957 3.324 1.00 0.00 C ATOM 398 O ILE A 103 -0.807 -6.871 4.385 1.00 0.00 O ATOM 399 CB ILE A 103 -1.825 -9.396 3.019 1.00 0.00 C ATOM 400 CG1 ILE A 103 -1.465 -10.632 2.196 1.00 0.00 C ATOM 401 CG2 ILE A 103 -3.335 -9.251 3.138 1.00 0.00 C ATOM 402 CD1 ILE A 103 -1.805 -11.935 2.884 1.00 0.00 C ATOM 0 H ILE A 103 0.635 -9.104 2.589 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.705 -7.925 1.436 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.414 -9.517 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.988 -10.588 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.398 -10.614 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.753 -10.151 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.570 -8.390 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.766 -9.108 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.522 -12.770 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.262 -12.001 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.877 -11.974 3.080 1.00 0.00 H new ATOM 414 N ILE A 104 -2.322 -6.057 2.931 1.00 0.00 N ATOM 415 CA ILE A 104 -2.638 -4.889 3.739 1.00 0.00 C ATOM 416 C ILE A 104 -3.689 -5.244 4.788 1.00 0.00 C ATOM 417 O ILE A 104 -4.570 -6.065 4.537 1.00 0.00 O ATOM 418 CB ILE A 104 -3.155 -3.726 2.865 1.00 0.00 C ATOM 419 CG1 ILE A 104 -2.105 -3.343 1.819 1.00 0.00 C ATOM 420 CG2 ILE A 104 -3.509 -2.523 3.727 1.00 0.00 C ATOM 421 CD1 ILE A 104 -2.012 -4.319 0.665 1.00 0.00 C ATOM 0 H ILE A 104 -2.842 -6.116 2.056 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.721 -4.568 4.233 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.058 -4.055 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.339 -2.353 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.131 -3.273 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.871 -1.714 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.286 -2.801 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.623 -2.190 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.248 -3.982 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.747 -5.306 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.974 -4.372 0.155 1.00 0.00 H new ATOM 433 N CYS A 105 -3.583 -4.640 5.967 1.00 0.00 N ATOM 434 CA CYS A 105 -4.527 -4.923 7.043 1.00 0.00 C ATOM 435 C CYS A 105 -5.165 -3.650 7.594 1.00 0.00 C ATOM 436 O CYS A 105 -6.299 -3.316 7.249 1.00 0.00 O ATOM 437 CB CYS A 105 -3.826 -5.685 8.171 1.00 0.00 C ATOM 438 SG CYS A 105 -3.511 -7.425 7.804 1.00 0.00 S ATOM 0 H CYS A 105 -2.861 -3.958 6.201 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.324 -5.538 6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.878 -5.194 8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.436 -5.620 9.072 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.914 -7.981 8.816 1.00 0.00 H new ATOM 444 N SER A 106 -4.443 -2.957 8.467 1.00 0.00 N ATOM 445 CA SER A 106 -4.952 -1.738 9.084 1.00 0.00 C ATOM 446 C SER A 106 -4.842 -0.534 8.150 1.00 0.00 C ATOM 447 O SER A 106 -4.106 0.412 8.428 1.00 0.00 O ATOM 448 CB SER A 106 -4.204 -1.454 10.387 1.00 0.00 C ATOM 449 OG SER A 106 -4.569 -2.379 11.396 1.00 0.00 O ATOM 0 H SER A 106 -3.503 -3.219 8.764 1.00 0.00 H new ATOM 0 HA SER A 106 -6.009 -1.898 9.296 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.129 -1.507 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.423 -0.440 10.722 1.00 0.00 H new ATOM 0 HG SER A 106 -4.076 -2.177 12.219 1.00 0.00 H new ATOM 455 N LEU A 107 -5.596 -0.563 7.057 1.00 0.00 N ATOM 456 CA LEU A 107 -5.595 0.540 6.103 1.00 0.00 C ATOM 457 C LEU A 107 -6.650 1.569 6.497 1.00 0.00 C ATOM 458 O LEU A 107 -7.840 1.379 6.244 1.00 0.00 O ATOM 459 CB LEU A 107 -5.861 0.026 4.684 1.00 0.00 C ATOM 460 CG LEU A 107 -6.103 1.111 3.629 1.00 0.00 C ATOM 461 CD1 LEU A 107 -4.786 1.730 3.184 1.00 0.00 C ATOM 462 CD2 LEU A 107 -6.851 0.537 2.436 1.00 0.00 C ATOM 0 H LEU A 107 -6.214 -1.336 6.810 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.613 1.013 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.011 -0.580 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.730 -0.632 4.710 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.716 1.893 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.980 2.498 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.286 2.178 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.147 0.958 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.014 1.322 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.263 -0.265 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.813 0.143 2.765 1.00 0.00 H new ATOM 474 N MET A 108 -6.209 2.651 7.128 1.00 0.00 N ATOM 475 CA MET A 108 -7.118 3.702 7.567 1.00 0.00 C ATOM 476 C MET A 108 -7.469 4.645 6.422 1.00 0.00 C ATOM 477 O MET A 108 -6.616 4.991 5.604 1.00 0.00 O ATOM 478 CB MET A 108 -6.497 4.493 8.720 1.00 0.00 C ATOM 479 CG MET A 108 -5.168 5.139 8.367 1.00 0.00 C ATOM 480 SD MET A 108 -3.943 4.976 9.681 1.00 0.00 S ATOM 481 CE MET A 108 -4.495 6.245 10.816 1.00 0.00 C ATOM 0 H MET A 108 -5.228 2.823 7.347 1.00 0.00 H new ATOM 0 HA MET A 108 -8.036 3.226 7.910 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.196 5.268 9.036 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.353 3.827 9.571 1.00 0.00 H new ATOM 0 HG2 MET A 108 -4.779 4.685 7.455 1.00 0.00 H new ATOM 0 HG3 MET A 108 -5.328 6.196 8.154 1.00 0.00 H new ATOM 0 HE1 MET A 108 -3.836 6.269 11.684 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.473 7.214 10.317 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.513 6.026 11.139 1.00 0.00 H new ATOM 491 N ARG A 109 -8.732 5.060 6.371 1.00 0.00 N ATOM 492 CA ARG A 109 -9.195 5.968 5.331 1.00 0.00 C ATOM 493 C ARG A 109 -8.519 7.327 5.466 1.00 0.00 C ATOM 494 O ARG A 109 -7.894 7.621 6.486 1.00 0.00 O ATOM 495 CB ARG A 109 -10.715 6.128 5.400 1.00 0.00 C ATOM 496 CG ARG A 109 -11.345 6.538 4.078 1.00 0.00 C ATOM 497 CD ARG A 109 -11.820 7.982 4.108 1.00 0.00 C ATOM 498 NE ARG A 109 -12.902 8.223 3.157 1.00 0.00 N ATOM 499 CZ ARG A 109 -14.171 7.884 3.377 1.00 0.00 C ATOM 500 NH1 ARG A 109 -14.521 7.291 4.513 1.00 0.00 N ATOM 501 NH2 ARG A 109 -15.094 8.137 2.457 1.00 0.00 N ATOM 0 H ARG A 109 -9.451 4.781 7.038 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.930 5.542 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.157 5.186 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.959 6.874 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.621 6.409 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.187 5.882 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.159 8.231 5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.984 8.643 3.881 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.672 8.677 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.816 7.093 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.495 7.034 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.831 8.591 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.066 7.878 2.625 1.00 0.00 H new ATOM 515 N GLY A 110 -8.643 8.151 4.432 1.00 0.00 N ATOM 516 CA GLY A 110 -8.031 9.466 4.460 1.00 0.00 C ATOM 517 C GLY A 110 -6.646 9.467 3.845 1.00 0.00 C ATOM 518 O GLY A 110 -6.290 10.381 3.100 1.00 0.00 O ATOM 0 H GLY A 110 -9.155 7.933 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.665 10.171 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.969 9.814 5.491 1.00 0.00 H new ATOM 522 N GLY A 111 -5.864 8.437 4.154 1.00 0.00 N ATOM 523 CA GLY A 111 -4.520 8.338 3.614 1.00 0.00 C ATOM 524 C GLY A 111 -4.510 8.333 2.099 1.00 0.00 C ATOM 525 O GLY A 111 -5.557 8.204 1.468 1.00 0.00 O ATOM 0 H GLY A 111 -6.137 7.670 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.922 9.174 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.049 7.426 3.982 1.00 0.00 H new ATOM 529 N ILE A 112 -3.325 8.478 1.516 1.00 0.00 N ATOM 530 CA ILE A 112 -3.184 8.494 0.064 1.00 0.00 C ATOM 531 C ILE A 112 -3.243 7.085 -0.527 1.00 0.00 C ATOM 532 O ILE A 112 -3.440 6.915 -1.732 1.00 0.00 O ATOM 533 CB ILE A 112 -1.870 9.169 -0.373 1.00 0.00 C ATOM 534 CG1 ILE A 112 -1.515 10.325 0.568 1.00 0.00 C ATOM 535 CG2 ILE A 112 -1.991 9.665 -1.803 1.00 0.00 C ATOM 536 CD1 ILE A 112 -0.439 9.976 1.574 1.00 0.00 C ATOM 0 H ILE A 112 -2.448 8.586 2.026 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.025 9.073 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.068 8.433 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.184 11.177 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.413 10.637 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.057 10.141 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.198 8.823 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.804 10.388 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.238 10.840 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.775 9.144 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.473 9.692 1.048 1.00 0.00 H new ATOM 548 N ALA A 113 -3.072 6.076 0.326 1.00 0.00 N ATOM 549 CA ALA A 113 -3.111 4.690 -0.122 1.00 0.00 C ATOM 550 C ALA A 113 -4.436 4.380 -0.804 1.00 0.00 C ATOM 551 O ALA A 113 -4.505 3.545 -1.707 1.00 0.00 O ATOM 552 CB ALA A 113 -2.882 3.748 1.051 1.00 0.00 C ATOM 0 H ALA A 113 -2.906 6.194 1.325 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.312 4.542 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.914 2.716 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.907 3.950 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.660 3.902 1.798 1.00 0.00 H new ATOM 558 N GLU A 114 -5.485 5.066 -0.369 1.00 0.00 N ATOM 559 CA GLU A 114 -6.813 4.880 -0.936 1.00 0.00 C ATOM 560 C GLU A 114 -6.819 5.205 -2.424 1.00 0.00 C ATOM 561 O GLU A 114 -7.365 4.456 -3.235 1.00 0.00 O ATOM 562 CB GLU A 114 -7.819 5.776 -0.214 1.00 0.00 C ATOM 563 CG GLU A 114 -7.558 7.262 -0.420 1.00 0.00 C ATOM 564 CD GLU A 114 -8.287 8.129 0.588 1.00 0.00 C ATOM 565 OE1 GLU A 114 -9.382 7.727 1.035 1.00 0.00 O ATOM 566 OE2 GLU A 114 -7.764 9.211 0.930 1.00 0.00 O ATOM 0 H GLU A 114 -5.441 5.759 0.378 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.095 3.835 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.823 5.539 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.793 5.554 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.487 7.452 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.866 7.545 -1.427 1.00 0.00 H new ATOM 573 N ARG A 115 -6.216 6.336 -2.776 1.00 0.00 N ATOM 574 CA ARG A 115 -6.159 6.777 -4.159 1.00 0.00 C ATOM 575 C ARG A 115 -5.344 5.813 -5.009 1.00 0.00 C ATOM 576 O ARG A 115 -5.763 5.430 -6.102 1.00 0.00 O ATOM 577 CB ARG A 115 -5.567 8.184 -4.248 1.00 0.00 C ATOM 578 CG ARG A 115 -6.520 9.275 -3.788 1.00 0.00 C ATOM 579 CD ARG A 115 -6.415 10.514 -4.663 1.00 0.00 C ATOM 580 NE ARG A 115 -5.255 11.333 -4.319 1.00 0.00 N ATOM 581 CZ ARG A 115 -4.945 12.474 -4.930 1.00 0.00 C ATOM 582 NH1 ARG A 115 -5.704 12.935 -5.917 1.00 0.00 N ATOM 583 NH2 ARG A 115 -3.873 13.158 -4.552 1.00 0.00 N ATOM 0 H ARG A 115 -5.758 6.965 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.178 6.796 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.661 8.227 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.273 8.381 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.543 8.899 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.300 9.539 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.349 10.214 -5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.322 11.109 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.647 11.011 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.530 12.414 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.461 13.810 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.287 12.809 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.635 14.033 -5.020 1.00 0.00 H new ATOM 597 N GLY A 116 -4.180 5.422 -4.505 1.00 0.00 N ATOM 598 CA GLY A 116 -3.332 4.504 -5.241 1.00 0.00 C ATOM 599 C GLY A 116 -4.078 3.270 -5.715 1.00 0.00 C ATOM 600 O GLY A 116 -4.371 3.129 -6.903 1.00 0.00 O ATOM 0 H GLY A 116 -3.809 5.723 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.907 5.020 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.498 4.199 -4.608 1.00 0.00 H new ATOM 604 N GLY A 117 -4.384 2.380 -4.783 1.00 0.00 N ATOM 605 CA GLY A 117 -5.097 1.159 -5.118 1.00 0.00 C ATOM 606 C GLY A 117 -5.174 0.188 -3.953 1.00 0.00 C ATOM 607 O GLY A 117 -6.036 -0.689 -3.928 1.00 0.00 O ATOM 0 H GLY A 117 -4.151 2.480 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.106 1.410 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.602 0.673 -5.959 1.00 0.00 H new ATOM 611 N VAL A 118 -4.262 0.345 -2.991 1.00 0.00 N ATOM 612 CA VAL A 118 -4.210 -0.519 -1.810 1.00 0.00 C ATOM 613 C VAL A 118 -5.611 -0.884 -1.316 1.00 0.00 C ATOM 614 O VAL A 118 -6.495 -0.032 -1.232 1.00 0.00 O ATOM 615 CB VAL A 118 -3.407 0.151 -0.664 1.00 0.00 C ATOM 616 CG1 VAL A 118 -4.025 -0.138 0.701 1.00 0.00 C ATOM 617 CG2 VAL A 118 -1.955 -0.302 -0.696 1.00 0.00 C ATOM 0 H VAL A 118 -3.544 1.069 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.702 -1.436 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.444 1.229 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.435 0.348 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.045 0.245 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.037 -1.214 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.406 0.178 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.909 -1.384 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.508 -0.024 -1.651 1.00 0.00 H new ATOM 627 N ARG A 119 -5.797 -2.156 -0.985 1.00 0.00 N ATOM 628 CA ARG A 119 -7.078 -2.642 -0.492 1.00 0.00 C ATOM 629 C ARG A 119 -6.875 -3.577 0.693 1.00 0.00 C ATOM 630 O ARG A 119 -6.042 -4.483 0.644 1.00 0.00 O ATOM 631 CB ARG A 119 -7.839 -3.364 -1.607 1.00 0.00 C ATOM 632 CG ARG A 119 -8.775 -2.458 -2.390 1.00 0.00 C ATOM 633 CD ARG A 119 -9.638 -3.249 -3.361 1.00 0.00 C ATOM 634 NE ARG A 119 -9.198 -3.082 -4.745 1.00 0.00 N ATOM 635 CZ ARG A 119 -9.948 -3.385 -5.802 1.00 0.00 C ATOM 636 NH1 ARG A 119 -11.173 -3.871 -5.639 1.00 0.00 N ATOM 637 NH2 ARG A 119 -9.473 -3.202 -7.027 1.00 0.00 N ATOM 0 H ARG A 119 -5.073 -2.872 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.666 -1.785 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.121 -3.812 -2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.416 -4.180 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.414 -1.909 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.192 -1.719 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.607 -4.306 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.675 -2.927 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 119 -8.262 -2.712 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.544 -4.014 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.743 -4.101 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -8.533 -2.829 -7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.048 -3.434 -7.837 1.00 0.00 H new ATOM 651 N VAL A 120 -7.635 -3.355 1.760 1.00 0.00 N ATOM 652 CA VAL A 120 -7.532 -4.179 2.956 1.00 0.00 C ATOM 653 C VAL A 120 -7.771 -5.649 2.629 1.00 0.00 C ATOM 654 O VAL A 120 -8.902 -6.131 2.680 1.00 0.00 O ATOM 655 CB VAL A 120 -8.533 -3.733 4.036 1.00 0.00 C ATOM 656 CG1 VAL A 120 -8.240 -4.429 5.358 1.00 0.00 C ATOM 657 CG2 VAL A 120 -8.508 -2.218 4.202 1.00 0.00 C ATOM 0 H VAL A 120 -8.329 -2.610 1.820 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.520 -4.054 3.341 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.534 -4.021 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -8.958 -4.101 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.320 -5.508 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -7.231 -4.177 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.223 -1.924 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -7.508 -1.901 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -8.775 -1.744 3.258 1.00 0.00 H new ATOM 667 N GLY A 121 -6.697 -6.355 2.292 1.00 0.00 N ATOM 668 CA GLY A 121 -6.809 -7.764 1.959 1.00 0.00 C ATOM 669 C GLY A 121 -6.081 -8.127 0.675 1.00 0.00 C ATOM 670 O GLY A 121 -6.034 -9.298 0.296 1.00 0.00 O ATOM 0 H GLY A 121 -5.751 -5.977 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -6.408 -8.359 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -7.862 -8.026 1.860 1.00 0.00 H new ATOM 674 N HIS A 122 -5.511 -7.128 0.003 1.00 0.00 N ATOM 675 CA HIS A 122 -4.785 -7.366 -1.241 1.00 0.00 C ATOM 676 C HIS A 122 -3.312 -7.640 -0.962 1.00 0.00 C ATOM 677 O HIS A 122 -2.647 -6.872 -0.267 1.00 0.00 O ATOM 678 CB HIS A 122 -4.930 -6.167 -2.181 1.00 0.00 C ATOM 679 CG HIS A 122 -6.025 -6.333 -3.188 1.00 0.00 C ATOM 680 ND1 HIS A 122 -5.847 -6.117 -4.539 1.00 0.00 N ATOM 681 CD2 HIS A 122 -7.320 -6.698 -3.035 1.00 0.00 C ATOM 682 CE1 HIS A 122 -6.984 -6.340 -5.172 1.00 0.00 C ATOM 683 NE2 HIS A 122 -7.894 -6.696 -4.283 1.00 0.00 N ATOM 0 H HIS A 122 -5.538 -6.152 0.298 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.214 -8.244 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -5.122 -5.272 -1.590 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.987 -6.007 -2.703 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -4.973 -5.830 -4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -7.810 -6.945 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.143 -6.247 -6.236 1.00 0.00 H new ATOM 692 N ARG A 123 -2.813 -8.747 -1.498 1.00 0.00 N ATOM 693 CA ARG A 123 -1.422 -9.136 -1.299 1.00 0.00 C ATOM 694 C ARG A 123 -0.487 -8.420 -2.266 1.00 0.00 C ATOM 695 O ARG A 123 -0.235 -8.900 -3.372 1.00 0.00 O ATOM 696 CB ARG A 123 -1.264 -10.648 -1.468 1.00 0.00 C ATOM 697 CG ARG A 123 0.046 -11.187 -0.919 1.00 0.00 C ATOM 698 CD ARG A 123 0.310 -12.604 -1.398 1.00 0.00 C ATOM 699 NE ARG A 123 -0.332 -13.599 -0.542 1.00 0.00 N ATOM 700 CZ ARG A 123 -0.524 -14.869 -0.893 1.00 0.00 C ATOM 701 NH1 ARG A 123 -0.123 -15.302 -2.083 1.00 0.00 N ATOM 702 NH2 ARG A 123 -1.115 -15.706 -0.054 1.00 0.00 N ATOM 0 H ARG A 123 -3.352 -9.393 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.149 -8.846 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.092 -11.150 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.334 -10.896 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.866 -10.539 -1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.020 -11.169 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.054 -12.715 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.385 -12.785 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.652 -13.303 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.334 -14.661 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.272 -16.276 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.423 -15.378 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.262 -16.679 -0.323 1.00 0.00 H new ATOM 716 N ILE A 124 0.048 -7.281 -1.834 1.00 0.00 N ATOM 717 CA ILE A 124 0.983 -6.517 -2.652 1.00 0.00 C ATOM 718 C ILE A 124 2.089 -7.428 -3.170 1.00 0.00 C ATOM 719 O ILE A 124 2.347 -8.486 -2.595 1.00 0.00 O ATOM 720 CB ILE A 124 1.598 -5.352 -1.843 1.00 0.00 C ATOM 721 CG1 ILE A 124 0.563 -4.247 -1.648 1.00 0.00 C ATOM 722 CG2 ILE A 124 2.848 -4.802 -2.524 1.00 0.00 C ATOM 723 CD1 ILE A 124 0.694 -3.529 -0.326 1.00 0.00 C ATOM 0 H ILE A 124 -0.150 -6.868 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 124 0.435 -6.099 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 124 1.896 -5.735 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.659 -3.523 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.436 -4.678 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.256 -3.984 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.592 -5.593 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.590 -4.435 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.072 -2.757 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.569 -4.242 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.680 -3.069 -0.258 1.00 0.00 H new ATOM 735 N ILE A 125 2.733 -7.028 -4.258 1.00 0.00 N ATOM 736 CA ILE A 125 3.793 -7.840 -4.831 1.00 0.00 C ATOM 737 C ILE A 125 4.845 -6.998 -5.555 1.00 0.00 C ATOM 738 O ILE A 125 5.873 -6.648 -4.977 1.00 0.00 O ATOM 739 CB ILE A 125 3.219 -8.905 -5.789 1.00 0.00 C ATOM 740 CG1 ILE A 125 2.050 -8.351 -6.597 1.00 0.00 C ATOM 741 CG2 ILE A 125 2.765 -10.114 -5.005 1.00 0.00 C ATOM 742 CD1 ILE A 125 2.153 -8.661 -8.070 1.00 0.00 C ATOM 0 H ILE A 125 2.542 -6.158 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 125 4.286 -8.340 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 125 4.009 -9.193 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.119 -8.764 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.001 -7.271 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.361 -10.861 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.612 -10.537 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.993 -9.818 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.293 -8.241 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.068 -8.225 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.172 -9.741 -8.214 1.00 0.00 H new ATOM 754 N GLU A 126 4.593 -6.691 -6.820 1.00 0.00 N ATOM 755 CA GLU A 126 5.534 -5.910 -7.623 1.00 0.00 C ATOM 756 C GLU A 126 5.511 -4.428 -7.254 1.00 0.00 C ATOM 757 O GLU A 126 4.821 -3.634 -7.890 1.00 0.00 O ATOM 758 CB GLU A 126 5.217 -6.077 -9.111 1.00 0.00 C ATOM 759 CG GLU A 126 6.046 -7.156 -9.790 1.00 0.00 C ATOM 760 CD GLU A 126 6.497 -6.754 -11.181 1.00 0.00 C ATOM 761 OE1 GLU A 126 7.346 -5.845 -11.290 1.00 0.00 O ATOM 762 OE2 GLU A 126 6.001 -7.348 -12.161 1.00 0.00 O ATOM 0 H GLU A 126 3.746 -6.969 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 126 6.534 -6.288 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.160 -6.317 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.385 -5.127 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.920 -7.377 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.461 -8.074 -9.852 1.00 0.00 H new ATOM 769 N ILE A 127 6.279 -4.062 -6.231 1.00 0.00 N ATOM 770 CA ILE A 127 6.351 -2.674 -5.791 1.00 0.00 C ATOM 771 C ILE A 127 7.498 -1.938 -6.468 1.00 0.00 C ATOM 772 O ILE A 127 8.660 -2.096 -6.094 1.00 0.00 O ATOM 773 CB ILE A 127 6.519 -2.564 -4.268 1.00 0.00 C ATOM 774 CG1 ILE A 127 5.839 -3.744 -3.592 1.00 0.00 C ATOM 775 CG2 ILE A 127 5.948 -1.247 -3.766 1.00 0.00 C ATOM 776 CD1 ILE A 127 5.779 -3.636 -2.083 1.00 0.00 C ATOM 0 H ILE A 127 6.858 -4.706 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 127 5.405 -2.213 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 127 7.580 -2.585 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.825 -3.837 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 127 6.368 -4.658 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 127 6.075 -1.184 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 127 6.472 -0.418 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 127 4.887 -1.193 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.280 -4.515 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 127 6.791 -3.574 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 127 5.223 -2.741 -1.804 1.00 0.00 H new ATOM 788 N ASN A 128 7.162 -1.130 -7.462 1.00 0.00 N ATOM 789 CA ASN A 128 8.159 -0.358 -8.196 1.00 0.00 C ATOM 790 C ASN A 128 9.162 -1.267 -8.909 1.00 0.00 C ATOM 791 O ASN A 128 10.219 -0.811 -9.343 1.00 0.00 O ATOM 792 CB ASN A 128 8.903 0.583 -7.246 1.00 0.00 C ATOM 793 CG ASN A 128 7.962 1.472 -6.457 1.00 0.00 C ATOM 794 OD1 ASN A 128 6.838 1.080 -6.142 1.00 0.00 O ATOM 795 ND2 ASN A 128 8.418 2.676 -6.132 1.00 0.00 N ATOM 0 H ASN A 128 6.203 -0.990 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 128 7.633 0.226 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.507 -0.006 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 128 9.590 1.205 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.830 3.318 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.356 2.959 -6.414 1.00 0.00 H new ATOM 802 N GLY A 129 8.826 -2.550 -9.039 1.00 0.00 N ATOM 803 CA GLY A 129 9.719 -3.480 -9.711 1.00 0.00 C ATOM 804 C GLY A 129 10.171 -4.626 -8.825 1.00 0.00 C ATOM 805 O GLY A 129 10.664 -5.639 -9.323 1.00 0.00 O ATOM 0 H GLY A 129 7.958 -2.959 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.216 -3.885 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 129 10.595 -2.938 -10.067 1.00 0.00 H new ATOM 809 N GLN A 130 10.011 -4.477 -7.514 1.00 0.00 N ATOM 810 CA GLN A 130 10.414 -5.521 -6.577 1.00 0.00 C ATOM 811 C GLN A 130 9.209 -6.316 -6.090 1.00 0.00 C ATOM 812 O GLN A 130 8.259 -5.754 -5.545 1.00 0.00 O ATOM 813 CB GLN A 130 11.165 -4.921 -5.383 1.00 0.00 C ATOM 814 CG GLN A 130 10.604 -3.590 -4.907 1.00 0.00 C ATOM 815 CD GLN A 130 11.318 -3.064 -3.678 1.00 0.00 C ATOM 816 OE1 GLN A 130 11.623 -3.817 -2.753 1.00 0.00 O ATOM 817 NE2 GLN A 130 11.589 -1.764 -3.663 1.00 0.00 N ATOM 0 H GLN A 130 9.607 -3.648 -7.077 1.00 0.00 H new ATOM 0 HA GLN A 130 11.083 -6.199 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 130 11.140 -5.631 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 130 12.212 -4.786 -5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 130 10.684 -2.858 -5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 130 9.543 -3.705 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.318 -1.177 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 130 12.069 -1.352 -2.862 1.00 0.00 H new ATOM 826 N SER A 131 9.252 -7.628 -6.296 1.00 0.00 N ATOM 827 CA SER A 131 8.161 -8.505 -5.885 1.00 0.00 C ATOM 828 C SER A 131 8.248 -8.841 -4.398 1.00 0.00 C ATOM 829 O SER A 131 9.039 -9.692 -3.990 1.00 0.00 O ATOM 830 CB SER A 131 8.178 -9.793 -6.710 1.00 0.00 C ATOM 831 OG SER A 131 7.129 -10.663 -6.321 1.00 0.00 O ATOM 0 H SER A 131 10.032 -8.108 -6.746 1.00 0.00 H new ATOM 0 HA SER A 131 7.224 -7.976 -6.060 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.081 -9.552 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.137 -10.296 -6.585 1.00 0.00 H new ATOM 0 HG SER A 131 7.161 -11.478 -6.864 1.00 0.00 H new ATOM 837 N VAL A 132 7.426 -8.172 -3.596 1.00 0.00 N ATOM 838 CA VAL A 132 7.403 -8.401 -2.161 1.00 0.00 C ATOM 839 C VAL A 132 6.563 -9.625 -1.798 1.00 0.00 C ATOM 840 O VAL A 132 6.386 -9.936 -0.620 1.00 0.00 O ATOM 841 CB VAL A 132 6.857 -7.180 -1.403 1.00 0.00 C ATOM 842 CG1 VAL A 132 7.774 -5.981 -1.588 1.00 0.00 C ATOM 843 CG2 VAL A 132 5.445 -6.860 -1.861 1.00 0.00 C ATOM 0 H VAL A 132 6.766 -7.465 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 132 8.437 -8.576 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 132 6.824 -7.418 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.370 -5.127 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.766 -6.219 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 132 7.843 -5.736 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.073 -5.993 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.450 -6.641 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.797 -7.715 -1.669 1.00 0.00 H new ATOM 853 N VAL A 133 6.041 -10.312 -2.814 1.00 0.00 N ATOM 854 CA VAL A 133 5.214 -11.496 -2.604 1.00 0.00 C ATOM 855 C VAL A 133 5.818 -12.428 -1.555 1.00 0.00 C ATOM 856 O VAL A 133 5.119 -12.918 -0.669 1.00 0.00 O ATOM 857 CB VAL A 133 5.010 -12.271 -3.923 1.00 0.00 C ATOM 858 CG1 VAL A 133 6.309 -12.913 -4.385 1.00 0.00 C ATOM 859 CG2 VAL A 133 3.912 -13.312 -3.767 1.00 0.00 C ATOM 0 H VAL A 133 6.178 -10.066 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 133 4.248 -11.146 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 133 4.700 -11.562 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.137 -13.453 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.060 -12.139 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.663 -13.608 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.783 -13.848 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.188 -14.017 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.978 -12.818 -3.499 1.00 0.00 H new ATOM 869 N ALA A 134 7.121 -12.662 -1.659 1.00 0.00 N ATOM 870 CA ALA A 134 7.819 -13.528 -0.718 1.00 0.00 C ATOM 871 C ALA A 134 8.793 -12.727 0.137 1.00 0.00 C ATOM 872 O ALA A 134 9.827 -13.238 0.565 1.00 0.00 O ATOM 873 CB ALA A 134 8.551 -14.635 -1.460 1.00 0.00 C ATOM 0 H ALA A 134 7.715 -12.264 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 134 7.079 -13.980 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 134 9.068 -15.274 -0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.834 -15.230 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.277 -14.196 -2.144 1.00 0.00 H new ATOM 879 N THR A 135 8.455 -11.465 0.378 1.00 0.00 N ATOM 880 CA THR A 135 9.298 -10.584 1.178 1.00 0.00 C ATOM 881 C THR A 135 8.652 -10.291 2.532 1.00 0.00 C ATOM 882 O THR A 135 7.435 -10.137 2.628 1.00 0.00 O ATOM 883 CB THR A 135 9.555 -9.277 0.427 1.00 0.00 C ATOM 884 OG1 THR A 135 10.181 -9.530 -0.818 1.00 0.00 O ATOM 885 CG2 THR A 135 10.429 -8.307 1.191 1.00 0.00 C ATOM 0 H THR A 135 7.601 -11.028 0.030 1.00 0.00 H new ATOM 0 HA THR A 135 10.248 -11.089 1.354 1.00 0.00 H new ATOM 0 HB THR A 135 8.573 -8.825 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 135 10.479 -8.684 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 135 10.571 -7.402 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 135 9.950 -8.052 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 135 11.397 -8.767 1.388 1.00 0.00 H new ATOM 893 N PRO A 136 9.464 -10.208 3.605 1.00 0.00 N ATOM 894 CA PRO A 136 8.963 -9.929 4.955 1.00 0.00 C ATOM 895 C PRO A 136 8.055 -8.706 4.997 1.00 0.00 C ATOM 896 O PRO A 136 8.035 -7.906 4.062 1.00 0.00 O ATOM 897 CB PRO A 136 10.236 -9.678 5.762 1.00 0.00 C ATOM 898 CG PRO A 136 11.296 -10.438 5.041 1.00 0.00 C ATOM 899 CD PRO A 136 10.930 -10.377 3.583 1.00 0.00 C ATOM 0 HA PRO A 136 8.353 -10.747 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 136 10.473 -8.615 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 136 10.129 -10.026 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 136 12.278 -9.999 5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 136 11.342 -11.470 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 136 11.423 -9.545 3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 136 11.222 -11.286 3.057 1.00 0.00 H new ATOM 907 N HIS A 137 7.302 -8.568 6.083 1.00 0.00 N ATOM 908 CA HIS A 137 6.387 -7.443 6.245 1.00 0.00 C ATOM 909 C HIS A 137 7.149 -6.146 6.506 1.00 0.00 C ATOM 910 O HIS A 137 6.922 -5.136 5.837 1.00 0.00 O ATOM 911 CB HIS A 137 5.412 -7.712 7.394 1.00 0.00 C ATOM 912 CG HIS A 137 6.081 -8.137 8.664 1.00 0.00 C ATOM 913 ND1 HIS A 137 6.433 -9.444 8.929 1.00 0.00 N ATOM 914 CD2 HIS A 137 6.469 -7.418 9.745 1.00 0.00 C ATOM 915 CE1 HIS A 137 7.004 -9.511 10.120 1.00 0.00 C ATOM 916 NE2 HIS A 137 7.038 -8.296 10.633 1.00 0.00 N ATOM 0 H HIS A 137 7.307 -9.222 6.866 1.00 0.00 H new ATOM 0 HA HIS A 137 5.827 -7.332 5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 137 4.831 -6.810 7.584 1.00 0.00 H new ATOM 0 HB3 HIS A 137 4.708 -8.486 7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 137 6.352 -6.353 9.882 1.00 0.00 H new ATOM 0 HE1 HIS A 137 7.379 -10.407 10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 137 7.425 -8.049 11.544 1.00 0.00 H new ATOM 925 N GLU A 138 8.052 -6.178 7.481 1.00 0.00 N ATOM 926 CA GLU A 138 8.846 -5.005 7.832 1.00 0.00 C ATOM 927 C GLU A 138 9.588 -4.463 6.614 1.00 0.00 C ATOM 928 O GLU A 138 9.833 -3.261 6.508 1.00 0.00 O ATOM 929 CB GLU A 138 9.842 -5.353 8.940 1.00 0.00 C ATOM 930 CG GLU A 138 9.447 -4.810 10.304 1.00 0.00 C ATOM 931 CD GLU A 138 10.586 -4.866 11.305 1.00 0.00 C ATOM 932 OE1 GLU A 138 11.753 -4.704 10.886 1.00 0.00 O ATOM 933 OE2 GLU A 138 10.311 -5.071 12.505 1.00 0.00 O ATOM 0 H GLU A 138 8.253 -7.005 8.043 1.00 0.00 H new ATOM 0 HA GLU A 138 8.167 -4.232 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 138 9.938 -6.437 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.823 -4.961 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 138 9.112 -3.778 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 138 8.602 -5.381 10.688 1.00 0.00 H new ATOM 940 N LYS A 139 9.945 -5.356 5.701 1.00 0.00 N ATOM 941 CA LYS A 139 10.659 -4.968 4.491 1.00 0.00 C ATOM 942 C LYS A 139 9.796 -4.069 3.614 1.00 0.00 C ATOM 943 O LYS A 139 10.241 -3.014 3.161 1.00 0.00 O ATOM 944 CB LYS A 139 11.086 -6.209 3.706 1.00 0.00 C ATOM 945 CG LYS A 139 12.320 -5.990 2.846 1.00 0.00 C ATOM 946 CD LYS A 139 11.972 -5.300 1.537 1.00 0.00 C ATOM 947 CE LYS A 139 12.687 -5.944 0.359 1.00 0.00 C ATOM 948 NZ LYS A 139 14.167 -5.887 0.508 1.00 0.00 N ATOM 0 H LYS A 139 9.752 -6.355 5.775 1.00 0.00 H new ATOM 0 HA LYS A 139 11.548 -4.410 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 139 11.280 -7.022 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.261 -6.527 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 139 13.045 -5.388 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.795 -6.949 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.895 -5.343 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.244 -4.246 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.371 -6.983 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.395 -5.440 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 14.617 -6.243 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 14.462 -4.903 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 14.457 -6.475 1.315 1.00 0.00 H new ATOM 962 N ILE A 140 8.558 -4.489 3.381 1.00 0.00 N ATOM 963 CA ILE A 140 7.632 -3.720 2.558 1.00 0.00 C ATOM 964 C ILE A 140 7.427 -2.331 3.145 1.00 0.00 C ATOM 965 O ILE A 140 7.458 -1.328 2.430 1.00 0.00 O ATOM 966 CB ILE A 140 6.266 -4.423 2.438 1.00 0.00 C ATOM 967 CG1 ILE A 140 6.454 -5.921 2.202 1.00 0.00 C ATOM 968 CG2 ILE A 140 5.446 -3.804 1.320 1.00 0.00 C ATOM 969 CD1 ILE A 140 5.176 -6.657 1.854 1.00 0.00 C ATOM 0 H ILE A 140 8.172 -5.358 3.750 1.00 0.00 H new ATOM 0 HA ILE A 140 8.072 -3.639 1.564 1.00 0.00 H new ATOM 0 HB ILE A 140 5.725 -4.289 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 140 7.174 -6.064 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 140 6.886 -6.368 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 140 4.485 -4.313 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 140 5.283 -2.747 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 140 5.981 -3.907 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 140 5.395 -7.714 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 140 4.460 -6.548 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 140 4.753 -6.239 0.941 1.00 0.00 H new ATOM 981 N VAL A 141 7.231 -2.281 4.458 1.00 0.00 N ATOM 982 CA VAL A 141 7.038 -1.016 5.150 1.00 0.00 C ATOM 983 C VAL A 141 8.266 -0.128 4.987 1.00 0.00 C ATOM 984 O VAL A 141 8.155 1.096 4.934 1.00 0.00 O ATOM 985 CB VAL A 141 6.757 -1.233 6.649 1.00 0.00 C ATOM 986 CG1 VAL A 141 6.491 0.094 7.346 1.00 0.00 C ATOM 987 CG2 VAL A 141 5.586 -2.186 6.841 1.00 0.00 C ATOM 0 H VAL A 141 7.202 -3.102 5.062 1.00 0.00 H new ATOM 0 HA VAL A 141 6.173 -0.526 4.703 1.00 0.00 H new ATOM 0 HB VAL A 141 7.642 -1.682 7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 141 6.295 -0.083 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 141 7.362 0.741 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.625 0.576 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 141 5.403 -2.327 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 141 4.696 -1.768 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 141 5.820 -3.147 6.383 1.00 0.00 H new ATOM 997 N HIS A 142 9.437 -0.754 4.904 1.00 0.00 N ATOM 998 CA HIS A 142 10.686 -0.021 4.742 1.00 0.00 C ATOM 999 C HIS A 142 10.688 0.759 3.431 1.00 0.00 C ATOM 1000 O HIS A 142 10.915 1.968 3.422 1.00 0.00 O ATOM 1001 CB HIS A 142 11.882 -0.975 4.794 1.00 0.00 C ATOM 1002 CG HIS A 142 12.582 -0.982 6.117 1.00 0.00 C ATOM 1003 ND1 HIS A 142 12.876 0.167 6.820 1.00 0.00 N ATOM 1004 CD2 HIS A 142 13.046 -2.010 6.868 1.00 0.00 C ATOM 1005 CE1 HIS A 142 13.492 -0.153 7.944 1.00 0.00 C ATOM 1006 NE2 HIS A 142 13.607 -1.466 7.997 1.00 0.00 N ATOM 0 H HIS A 142 9.545 -1.767 4.946 1.00 0.00 H new ATOM 0 HA HIS A 142 10.772 0.688 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 142 11.541 -1.985 4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 142 12.593 -0.696 4.017 1.00 0.00 H new ATOM 0 HD2 HIS A 142 12.986 -3.060 6.624 1.00 0.00 H new ATOM 0 HE1 HIS A 142 13.842 0.542 8.693 1.00 0.00 H new ATOM 0 HE2 HIS A 142 14.042 -1.992 8.755 1.00 0.00 H new ATOM 1015 N ILE A 143 10.416 0.070 2.323 1.00 0.00 N ATOM 1016 CA ILE A 143 10.374 0.722 1.019 1.00 0.00 C ATOM 1017 C ILE A 143 9.437 1.910 1.058 1.00 0.00 C ATOM 1018 O ILE A 143 9.823 3.035 0.753 1.00 0.00 O ATOM 1019 CB ILE A 143 9.894 -0.243 -0.071 1.00 0.00 C ATOM 1020 CG1 ILE A 143 10.948 -1.311 -0.282 1.00 0.00 C ATOM 1021 CG2 ILE A 143 9.595 0.500 -1.370 1.00 0.00 C ATOM 1022 CD1 ILE A 143 10.781 -2.483 0.646 1.00 0.00 C ATOM 0 H ILE A 143 10.223 -0.931 2.304 1.00 0.00 H new ATOM 0 HA ILE A 143 11.387 1.049 0.785 1.00 0.00 H new ATOM 0 HB ILE A 143 8.964 -0.714 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 143 10.904 -1.660 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 143 11.936 -0.875 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 143 9.257 -0.209 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 143 8.816 1.242 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 143 10.499 0.999 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 143 11.563 -3.217 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 143 10.853 -2.142 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 143 9.805 -2.940 0.482 1.00 0.00 H new ATOM 1034 N LEU A 144 8.200 1.643 1.442 1.00 0.00 N ATOM 1035 CA LEU A 144 7.199 2.689 1.530 1.00 0.00 C ATOM 1036 C LEU A 144 7.599 3.722 2.574 1.00 0.00 C ATOM 1037 O LEU A 144 7.282 4.904 2.445 1.00 0.00 O ATOM 1038 CB LEU A 144 5.828 2.095 1.842 1.00 0.00 C ATOM 1039 CG LEU A 144 5.244 1.210 0.734 1.00 0.00 C ATOM 1040 CD1 LEU A 144 3.731 1.325 0.699 1.00 0.00 C ATOM 1041 CD2 LEU A 144 5.824 1.575 -0.623 1.00 0.00 C ATOM 0 H LEU A 144 7.867 0.713 1.697 1.00 0.00 H new ATOM 0 HA LEU A 144 7.135 3.191 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.902 1.507 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.132 2.909 2.042 1.00 0.00 H new ATOM 0 HG LEU A 144 5.515 0.178 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 144 3.336 0.690 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 144 3.320 1.008 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 144 3.449 2.361 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.391 0.931 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 144 5.591 2.615 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.906 1.441 -0.604 1.00 0.00 H new ATOM 1053 N SER A 145 8.321 3.273 3.597 1.00 0.00 N ATOM 1054 CA SER A 145 8.787 4.169 4.645 1.00 0.00 C ATOM 1055 C SER A 145 9.817 5.138 4.074 1.00 0.00 C ATOM 1056 O SER A 145 9.944 6.272 4.538 1.00 0.00 O ATOM 1057 CB SER A 145 9.396 3.374 5.800 1.00 0.00 C ATOM 1058 OG SER A 145 8.402 2.991 6.735 1.00 0.00 O ATOM 0 H SER A 145 8.594 2.298 3.720 1.00 0.00 H new ATOM 0 HA SER A 145 7.937 4.734 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 145 9.895 2.487 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.156 3.975 6.298 1.00 0.00 H new ATOM 0 HG SER A 145 7.722 2.447 6.285 1.00 0.00 H new ATOM 1064 N ASN A 146 10.546 4.681 3.056 1.00 0.00 N ATOM 1065 CA ASN A 146 11.560 5.506 2.411 1.00 0.00 C ATOM 1066 C ASN A 146 11.397 5.470 0.893 1.00 0.00 C ATOM 1067 O ASN A 146 12.380 5.440 0.152 1.00 0.00 O ATOM 1068 CB ASN A 146 12.959 5.029 2.799 1.00 0.00 C ATOM 1069 CG ASN A 146 13.275 5.292 4.259 1.00 0.00 C ATOM 1070 OD1 ASN A 146 12.618 4.555 5.147 1.00 0.00 O flip ATOM 1071 ND2 ASN A 146 14.100 6.145 4.584 1.00 0.00 N flip ATOM 0 H ASN A 146 10.451 3.745 2.663 1.00 0.00 H new ATOM 0 HA ASN A 146 11.431 6.534 2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 146 13.045 3.961 2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 146 13.698 5.531 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 146 14.581 6.688 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 146 14.303 6.309 5.570 1.00 0.00 H new ATOM 1078 N ALA A 147 10.146 5.465 0.439 1.00 0.00 N ATOM 1079 CA ALA A 147 9.847 5.422 -0.988 1.00 0.00 C ATOM 1080 C ALA A 147 9.741 6.821 -1.571 1.00 0.00 C ATOM 1081 O ALA A 147 10.383 7.147 -2.569 1.00 0.00 O ATOM 1082 CB ALA A 147 8.560 4.651 -1.230 1.00 0.00 C ATOM 0 H ALA A 147 9.323 5.490 1.041 1.00 0.00 H new ATOM 0 HA ALA A 147 10.668 4.911 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 147 8.347 4.625 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 147 8.670 3.633 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 147 7.738 5.141 -0.708 1.00 0.00 H new ATOM 1088 N VAL A 148 8.924 7.638 -0.932 1.00 0.00 N ATOM 1089 CA VAL A 148 8.708 9.016 -1.364 1.00 0.00 C ATOM 1090 C VAL A 148 8.219 9.068 -2.808 1.00 0.00 C ATOM 1091 O VAL A 148 8.317 8.087 -3.544 1.00 0.00 O ATOM 1092 CB VAL A 148 9.980 9.873 -1.234 1.00 0.00 C ATOM 1093 CG1 VAL A 148 9.637 11.262 -0.717 1.00 0.00 C ATOM 1094 CG2 VAL A 148 11.012 9.206 -0.333 1.00 0.00 C ATOM 0 H VAL A 148 8.392 7.372 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 148 7.945 9.428 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 148 10.419 9.969 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 148 10.548 11.854 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 148 8.952 11.749 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 148 9.165 11.180 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 148 11.897 9.838 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 148 10.589 9.063 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 148 11.289 8.238 -0.751 1.00 0.00 H new ATOM 1104 N GLY A 149 7.691 10.221 -3.207 1.00 0.00 N ATOM 1105 CA GLY A 149 7.194 10.380 -4.561 1.00 0.00 C ATOM 1106 C GLY A 149 5.888 9.643 -4.791 1.00 0.00 C ATOM 1107 O GLY A 149 4.966 9.732 -3.980 1.00 0.00 O ATOM 0 H GLY A 149 7.599 11.048 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 149 7.051 11.440 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 149 7.942 10.015 -5.264 1.00 0.00 H new ATOM 1111 N GLU A 150 5.810 8.915 -5.900 1.00 0.00 N ATOM 1112 CA GLU A 150 4.608 8.160 -6.235 1.00 0.00 C ATOM 1113 C GLU A 150 4.883 6.660 -6.212 1.00 0.00 C ATOM 1114 O GLU A 150 5.428 6.104 -7.167 1.00 0.00 O ATOM 1115 CB GLU A 150 4.091 8.575 -7.614 1.00 0.00 C ATOM 1116 CG GLU A 150 3.679 10.036 -7.696 1.00 0.00 C ATOM 1117 CD GLU A 150 3.421 10.491 -9.119 1.00 0.00 C ATOM 1118 OE1 GLU A 150 2.600 9.848 -9.808 1.00 0.00 O ATOM 1119 OE2 GLU A 150 4.039 11.490 -9.544 1.00 0.00 O ATOM 0 H GLU A 150 6.564 8.832 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 150 3.848 8.382 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 150 4.866 8.383 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.237 7.950 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 150 2.779 10.190 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.461 10.655 -7.257 1.00 0.00 H new ATOM 1126 N ILE A 151 4.504 6.009 -5.117 1.00 0.00 N ATOM 1127 CA ILE A 151 4.711 4.572 -4.973 1.00 0.00 C ATOM 1128 C ILE A 151 3.828 3.792 -5.945 1.00 0.00 C ATOM 1129 O ILE A 151 2.604 3.766 -5.806 1.00 0.00 O ATOM 1130 CB ILE A 151 4.433 4.108 -3.518 1.00 0.00 C ATOM 1131 CG1 ILE A 151 5.719 4.169 -2.689 1.00 0.00 C ATOM 1132 CG2 ILE A 151 3.857 2.698 -3.484 1.00 0.00 C ATOM 1133 CD1 ILE A 151 5.619 5.070 -1.478 1.00 0.00 C ATOM 0 H ILE A 151 4.052 6.453 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 151 5.756 4.368 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 151 3.694 4.784 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.978 3.162 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.534 4.517 -3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.674 2.404 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 151 2.919 2.675 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.565 2.005 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.567 5.063 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.391 6.087 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 151 4.827 4.711 -0.821 1.00 0.00 H new ATOM 1145 N HIS A 152 4.459 3.150 -6.923 1.00 0.00 N ATOM 1146 CA HIS A 152 3.736 2.359 -7.911 1.00 0.00 C ATOM 1147 C HIS A 152 3.977 0.874 -7.676 1.00 0.00 C ATOM 1148 O HIS A 152 5.106 0.396 -7.790 1.00 0.00 O ATOM 1149 CB HIS A 152 4.171 2.744 -9.327 1.00 0.00 C ATOM 1150 CG HIS A 152 3.044 2.767 -10.314 1.00 0.00 C ATOM 1151 ND1 HIS A 152 1.936 3.543 -10.374 1.00 0.00 N flip ATOM 1152 CD2 HIS A 152 2.975 1.917 -11.396 1.00 0.00 C flip ATOM 1153 CE1 HIS A 152 1.226 3.151 -11.484 1.00 0.00 C flip ATOM 1154 NE2 HIS A 152 1.875 2.170 -12.083 1.00 0.00 N flip ATOM 0 H HIS A 152 5.471 3.162 -7.052 1.00 0.00 H new ATOM 0 HA HIS A 152 2.671 2.564 -7.805 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.639 3.728 -9.300 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.929 2.040 -9.670 1.00 0.00 H new ATOM 0 HD2 HIS A 152 3.706 1.162 -11.644 1.00 0.00 H new ATOM 0 HE1 HIS A 152 0.289 3.577 -11.813 1.00 0.00 H new ATOM 0 HE2 HIS A 152 1.578 1.689 -12.932 1.00 0.00 H new ATOM 1163 N MET A 153 2.918 0.148 -7.337 1.00 0.00 N ATOM 1164 CA MET A 153 3.039 -1.282 -7.075 1.00 0.00 C ATOM 1165 C MET A 153 1.820 -2.054 -7.567 1.00 0.00 C ATOM 1166 O MET A 153 0.840 -1.471 -8.029 1.00 0.00 O ATOM 1167 CB MET A 153 3.229 -1.523 -5.575 1.00 0.00 C ATOM 1168 CG MET A 153 1.954 -1.367 -4.764 1.00 0.00 C ATOM 1169 SD MET A 153 2.143 -0.238 -3.371 1.00 0.00 S ATOM 1170 CE MET A 153 1.403 -1.204 -2.060 1.00 0.00 C ATOM 0 H MET A 153 1.974 0.521 -7.238 1.00 0.00 H new ATOM 0 HA MET A 153 3.909 -1.645 -7.622 1.00 0.00 H new ATOM 0 HB2 MET A 153 3.624 -2.528 -5.425 1.00 0.00 H new ATOM 0 HB3 MET A 153 3.977 -0.827 -5.196 1.00 0.00 H new ATOM 0 HG2 MET A 153 1.158 -1.004 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 153 1.643 -2.344 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 153 1.313 -0.591 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 153 0.414 -1.541 -2.370 1.00 0.00 H new ATOM 0 HE3 MET A 153 2.031 -2.069 -1.847 1.00 0.00 H new ATOM 1180 N LYS A 154 1.891 -3.374 -7.438 1.00 0.00 N ATOM 1181 CA LYS A 154 0.804 -4.256 -7.837 1.00 0.00 C ATOM 1182 C LYS A 154 0.368 -5.097 -6.644 1.00 0.00 C ATOM 1183 O LYS A 154 1.163 -5.363 -5.743 1.00 0.00 O ATOM 1184 CB LYS A 154 1.242 -5.160 -8.991 1.00 0.00 C ATOM 1185 CG LYS A 154 0.814 -4.653 -10.359 1.00 0.00 C ATOM 1186 CD LYS A 154 1.870 -4.932 -11.415 1.00 0.00 C ATOM 1187 CE LYS A 154 1.472 -4.367 -12.767 1.00 0.00 C ATOM 1188 NZ LYS A 154 1.663 -2.893 -12.832 1.00 0.00 N ATOM 0 H LYS A 154 2.702 -3.860 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 154 -0.037 -3.652 -8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 154 2.327 -5.258 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 154 0.829 -6.157 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -0.124 -5.129 -10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 154 0.625 -3.581 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 154 2.820 -4.497 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 154 2.024 -6.008 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 154 2.064 -4.844 -13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 154 0.428 -4.607 -12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 1.380 -2.547 -13.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 1.079 -2.435 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 2.664 -2.665 -12.667 1.00 0.00 H new ATOM 1202 N THR A 155 -0.894 -5.506 -6.624 1.00 0.00 N ATOM 1203 CA THR A 155 -1.406 -6.303 -5.517 1.00 0.00 C ATOM 1204 C THR A 155 -2.368 -7.381 -6.000 1.00 0.00 C ATOM 1205 O THR A 155 -3.168 -7.157 -6.910 1.00 0.00 O ATOM 1206 CB THR A 155 -2.100 -5.402 -4.495 1.00 0.00 C ATOM 1207 OG1 THR A 155 -3.407 -5.064 -4.928 1.00 0.00 O ATOM 1208 CG2 THR A 155 -1.354 -4.110 -4.238 1.00 0.00 C ATOM 0 H THR A 155 -1.576 -5.302 -7.354 1.00 0.00 H new ATOM 0 HA THR A 155 -0.558 -6.798 -5.045 1.00 0.00 H new ATOM 0 HB THR A 155 -2.128 -5.980 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 155 -3.835 -4.489 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 155 -1.898 -3.516 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 155 -0.358 -4.335 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 155 -1.268 -3.548 -5.168 1.00 0.00 H new ATOM 1216 N MET A 156 -2.280 -8.553 -5.378 1.00 0.00 N ATOM 1217 CA MET A 156 -3.135 -9.681 -5.728 1.00 0.00 C ATOM 1218 C MET A 156 -3.863 -10.208 -4.491 1.00 0.00 C ATOM 1219 O MET A 156 -3.251 -10.399 -3.442 1.00 0.00 O ATOM 1220 CB MET A 156 -2.300 -10.796 -6.359 1.00 0.00 C ATOM 1221 CG MET A 156 -1.284 -10.295 -7.372 1.00 0.00 C ATOM 1222 SD MET A 156 -0.163 -11.591 -7.931 1.00 0.00 S ATOM 1223 CE MET A 156 -1.292 -12.974 -8.060 1.00 0.00 C ATOM 0 H MET A 156 -1.620 -8.746 -4.624 1.00 0.00 H new ATOM 0 HA MET A 156 -3.878 -9.341 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 156 -1.778 -11.338 -5.571 1.00 0.00 H new ATOM 0 HB3 MET A 156 -2.967 -11.507 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 156 -1.809 -9.879 -8.232 1.00 0.00 H new ATOM 0 HG3 MET A 156 -0.704 -9.485 -6.929 1.00 0.00 H new ATOM 0 HE1 MET A 156 -0.840 -13.757 -8.669 1.00 0.00 H new ATOM 0 HE2 MET A 156 -1.504 -13.365 -7.065 1.00 0.00 H new ATOM 0 HE3 MET A 156 -2.221 -12.643 -8.525 1.00 0.00 H new ATOM 1233 N PRO A 157 -5.181 -10.453 -4.594 1.00 0.00 N ATOM 1234 CA PRO A 157 -5.981 -10.958 -3.471 1.00 0.00 C ATOM 1235 C PRO A 157 -5.292 -12.094 -2.719 1.00 0.00 C ATOM 1236 O PRO A 157 -4.991 -13.138 -3.295 1.00 0.00 O ATOM 1237 CB PRO A 157 -7.252 -11.459 -4.153 1.00 0.00 C ATOM 1238 CG PRO A 157 -7.399 -10.590 -5.354 1.00 0.00 C ATOM 1239 CD PRO A 157 -6.000 -10.257 -5.807 1.00 0.00 C ATOM 0 HA PRO A 157 -6.153 -10.192 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 157 -7.165 -12.509 -4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 157 -8.116 -11.374 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 157 -7.951 -11.104 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 157 -7.956 -9.684 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 157 -5.676 -10.909 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 157 -5.932 -9.233 -6.175 1.00 0.00 H new ATOM 1247 N ALA A 158 -5.048 -11.881 -1.428 1.00 0.00 N ATOM 1248 CA ALA A 158 -4.398 -12.887 -0.597 1.00 0.00 C ATOM 1249 C ALA A 158 -5.413 -13.888 -0.053 1.00 0.00 C ATOM 1250 O ALA A 158 -6.444 -13.444 0.495 1.00 0.00 O ATOM 1251 CB ALA A 158 -3.640 -12.223 0.546 1.00 0.00 C ATOM 1252 OXT ALA A 158 -5.168 -15.106 -0.178 1.00 0.00 O ATOM 0 H ALA A 158 -5.291 -11.021 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 158 -3.687 -13.431 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -3.160 -12.988 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -2.881 -11.555 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.336 -11.651 1.160 1.00 0.00 H new