USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 66 ASN : amide:sc= 0.23 K(o=0.97,f=-4.4!) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 160:sc= 0.74 (180deg=0) USER MOD Set 2.1: A 51 THR OG1 : rot -84:sc= 0.937 USER MOD Set 2.2: A 109 SER OG : rot 180:sc= 0.817 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.03) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 168:sc= -0.0283 (180deg=-0.214) USER MOD Single : A 71 SER OG : rot 170:sc= 0.299 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.159 X(o=0.16,f=-0.16) USER MOD Single : A 75 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.04) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.417 K(o=0.42,f=-0.31) USER MOD Single : A 102 ASN : amide:sc= 0.692 K(o=0.69,f=-0.67) USER MOD Single : A 107 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.34) USER MOD Single : A 108 MET CE :methyl -161:sc= -0.881 (180deg=-1.75) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.886 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot -13:sc= 0.208 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0.236 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 36 0.920 -5.633 8.639 1.00 0.00 N ATOM 49 CA THR A 36 -0.516 -5.764 8.372 1.00 0.00 C ATOM 50 C THR A 36 -1.049 -4.471 7.779 1.00 0.00 C ATOM 51 O THR A 36 -0.562 -3.381 8.099 1.00 0.00 O ATOM 52 CB THR A 36 -1.287 -6.222 9.614 1.00 0.00 C ATOM 53 OG1 THR A 36 -2.647 -6.386 9.275 1.00 0.00 O ATOM 54 CG2 THR A 36 -1.186 -5.268 10.809 1.00 0.00 C ATOM 0 HA THR A 36 -0.669 -6.551 7.633 1.00 0.00 H new ATOM 0 HB THR A 36 -0.828 -7.159 9.929 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.148 -6.681 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.761 -5.669 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.142 -5.163 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.584 -4.292 10.530 1.00 0.00 H new ATOM 62 N PHE A 37 -2.021 -4.615 6.878 1.00 0.00 N ATOM 63 CA PHE A 37 -2.511 -3.541 6.009 1.00 0.00 C ATOM 64 C PHE A 37 -4.004 -3.278 6.198 1.00 0.00 C ATOM 65 O PHE A 37 -4.799 -4.203 6.379 1.00 0.00 O ATOM 66 CB PHE A 37 -2.241 -3.853 4.522 1.00 0.00 C ATOM 67 CG PHE A 37 -0.976 -4.638 4.243 1.00 0.00 C ATOM 68 CD1 PHE A 37 0.242 -4.232 4.812 1.00 0.00 C ATOM 69 CD2 PHE A 37 -1.047 -5.839 3.513 1.00 0.00 C ATOM 70 CE1 PHE A 37 1.349 -5.099 4.761 1.00 0.00 C ATOM 71 CE2 PHE A 37 0.078 -6.675 3.415 1.00 0.00 C ATOM 72 CZ PHE A 37 1.264 -6.323 4.075 1.00 0.00 C ATOM 0 H PHE A 37 -2.502 -5.502 6.727 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.961 -2.645 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.089 -4.410 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.193 -2.912 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.328 -3.264 5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.970 -6.119 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.270 -4.822 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.029 -7.584 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.112 -6.992 4.056 1.00 0.00 H new ATOM 82 N SER A 38 -4.393 -2.012 6.102 1.00 0.00 N ATOM 83 CA SER A 38 -5.808 -1.611 6.017 1.00 0.00 C ATOM 84 C SER A 38 -6.066 -0.442 5.037 1.00 0.00 C ATOM 85 O SER A 38 -5.162 0.370 4.804 1.00 0.00 O ATOM 86 CB SER A 38 -6.393 -1.337 7.412 1.00 0.00 C ATOM 87 OG SER A 38 -5.712 -0.299 8.105 1.00 0.00 O ATOM 0 H SER A 38 -3.742 -1.227 6.080 1.00 0.00 H new ATOM 0 HA SER A 38 -6.339 -2.462 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.445 -1.071 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.350 -2.251 8.004 1.00 0.00 H new ATOM 0 HG SER A 38 -6.126 -0.166 8.983 1.00 0.00 H new ATOM 93 N PRO A 39 -7.285 -0.325 4.464 1.00 0.00 N ATOM 94 CA PRO A 39 -8.364 -1.313 4.506 1.00 0.00 C ATOM 95 C PRO A 39 -8.019 -2.544 3.657 1.00 0.00 C ATOM 96 O PRO A 39 -7.179 -2.480 2.760 1.00 0.00 O ATOM 97 CB PRO A 39 -9.596 -0.597 3.946 1.00 0.00 C ATOM 98 CG PRO A 39 -8.987 0.383 2.949 1.00 0.00 C ATOM 99 CD PRO A 39 -7.674 0.794 3.615 1.00 0.00 C ATOM 0 HA PRO A 39 -8.532 -1.677 5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.284 -1.291 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.157 -0.084 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.817 -0.084 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.638 1.241 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.907 1.003 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.803 1.703 4.203 1.00 0.00 H new ATOM 107 N ALA A 40 -8.694 -3.666 3.926 1.00 0.00 N ATOM 108 CA ALA A 40 -8.581 -4.878 3.104 1.00 0.00 C ATOM 109 C ALA A 40 -9.018 -4.650 1.640 1.00 0.00 C ATOM 110 O ALA A 40 -8.455 -5.265 0.734 1.00 0.00 O ATOM 111 CB ALA A 40 -9.400 -5.993 3.764 1.00 0.00 C ATOM 0 H ALA A 40 -9.332 -3.761 4.716 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.531 -5.166 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.327 -6.901 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.013 -6.185 4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.444 -5.686 3.832 1.00 0.00 H new ATOM 117 N LEU A 41 -9.964 -3.731 1.407 1.00 0.00 N ATOM 118 CA LEU A 41 -10.359 -3.232 0.088 1.00 0.00 C ATOM 119 C LEU A 41 -10.568 -1.715 0.170 1.00 0.00 C ATOM 120 O LEU A 41 -11.427 -1.241 0.918 1.00 0.00 O ATOM 121 CB LEU A 41 -11.629 -3.967 -0.394 1.00 0.00 C ATOM 122 CG LEU A 41 -12.268 -3.390 -1.679 1.00 0.00 C ATOM 123 CD1 LEU A 41 -11.333 -3.441 -2.898 1.00 0.00 C ATOM 124 CD2 LEU A 41 -13.558 -4.157 -2.000 1.00 0.00 C ATOM 0 H LEU A 41 -10.495 -3.299 2.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.575 -3.429 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.381 -5.014 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.370 -3.943 0.405 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.478 -2.339 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.843 -3.021 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.433 -2.862 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.059 -4.476 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.008 -3.750 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.326 -5.211 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.258 -4.056 -1.170 1.00 0.00 H new ATOM 136 N LEU A 42 -9.804 -0.961 -0.620 1.00 0.00 N ATOM 137 CA LEU A 42 -9.949 0.483 -0.802 1.00 0.00 C ATOM 138 C LEU A 42 -10.658 0.760 -2.133 1.00 0.00 C ATOM 139 O LEU A 42 -10.200 0.286 -3.171 1.00 0.00 O ATOM 140 CB LEU A 42 -8.539 1.105 -0.771 1.00 0.00 C ATOM 141 CG LEU A 42 -8.489 2.636 -0.919 1.00 0.00 C ATOM 142 CD1 LEU A 42 -9.343 3.379 0.122 1.00 0.00 C ATOM 143 CD2 LEU A 42 -7.032 3.084 -0.767 1.00 0.00 C ATOM 0 H LEU A 42 -9.040 -1.353 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.553 0.925 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.061 0.832 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.947 0.660 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.897 2.882 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.261 4.454 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.385 3.075 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.989 3.136 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.972 4.168 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.662 2.790 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.424 2.613 -1.540 1.00 0.00 H new ATOM 155 N VAL A 43 -11.737 1.544 -2.118 1.00 0.00 N ATOM 156 CA VAL A 43 -12.438 2.007 -3.331 1.00 0.00 C ATOM 157 C VAL A 43 -12.250 3.520 -3.466 1.00 0.00 C ATOM 158 O VAL A 43 -12.603 4.267 -2.555 1.00 0.00 O ATOM 159 CB VAL A 43 -13.944 1.644 -3.333 1.00 0.00 C ATOM 160 CG1 VAL A 43 -14.580 1.976 -4.694 1.00 0.00 C ATOM 161 CG2 VAL A 43 -14.177 0.150 -3.033 1.00 0.00 C ATOM 0 H VAL A 43 -12.160 1.884 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.001 1.493 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.410 2.237 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.638 1.714 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.474 3.042 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.079 1.408 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.246 -0.061 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.680 -0.455 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.770 -0.092 -2.051 1.00 0.00 H new ATOM 171 N VAL A 44 -11.702 3.960 -4.601 1.00 0.00 N ATOM 172 CA VAL A 44 -11.565 5.387 -4.973 1.00 0.00 C ATOM 173 C VAL A 44 -12.122 5.677 -6.372 1.00 0.00 C ATOM 174 O VAL A 44 -12.333 4.752 -7.153 1.00 0.00 O ATOM 175 CB VAL A 44 -10.100 5.876 -4.910 1.00 0.00 C ATOM 176 CG1 VAL A 44 -9.535 5.774 -3.486 1.00 0.00 C ATOM 177 CG2 VAL A 44 -9.189 5.145 -5.913 1.00 0.00 C ATOM 0 H VAL A 44 -11.330 3.327 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.151 5.933 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.115 6.927 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.503 6.126 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.133 6.388 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.567 4.736 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.172 5.527 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.195 4.076 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.555 5.313 -6.926 1.00 0.00 H new ATOM 187 N THR A 45 -12.309 6.961 -6.702 1.00 0.00 N ATOM 188 CA THR A 45 -12.680 7.442 -8.045 1.00 0.00 C ATOM 189 C THR A 45 -11.428 7.696 -8.889 1.00 0.00 C ATOM 190 O THR A 45 -10.379 8.068 -8.363 1.00 0.00 O ATOM 191 CB THR A 45 -13.519 8.727 -7.938 1.00 0.00 C ATOM 192 OG1 THR A 45 -14.552 8.537 -6.992 1.00 0.00 O ATOM 193 CG2 THR A 45 -14.184 9.103 -9.264 1.00 0.00 C ATOM 0 H THR A 45 -12.204 7.717 -6.026 1.00 0.00 H new ATOM 0 HA THR A 45 -13.277 6.673 -8.535 1.00 0.00 H new ATOM 0 HB THR A 45 -12.836 9.524 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.086 9.356 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.764 10.017 -9.134 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.418 9.264 -10.022 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.845 8.296 -9.581 1.00 0.00 H new ATOM 201 N GLU A 46 -11.538 7.534 -10.208 1.00 0.00 N ATOM 202 CA GLU A 46 -10.488 7.859 -11.176 1.00 0.00 C ATOM 203 C GLU A 46 -9.963 9.294 -10.984 1.00 0.00 C ATOM 204 O GLU A 46 -10.725 10.267 -11.009 1.00 0.00 O ATOM 205 CB GLU A 46 -11.018 7.656 -12.608 1.00 0.00 C ATOM 206 CG GLU A 46 -9.897 7.393 -13.623 1.00 0.00 C ATOM 207 CD GLU A 46 -10.105 8.190 -14.920 1.00 0.00 C ATOM 208 OE1 GLU A 46 -11.065 7.891 -15.666 1.00 0.00 O1- ATOM 209 OE2 GLU A 46 -9.326 9.136 -15.181 1.00 0.00 O ATOM 0 H GLU A 46 -12.382 7.163 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.648 7.185 -11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.715 6.818 -12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.578 8.540 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.937 7.660 -13.182 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.857 6.328 -13.853 1.00 0.00 H new ATOM 216 N GLY A 47 -8.648 9.432 -10.806 1.00 0.00 N ATOM 217 CA GLY A 47 -7.963 10.708 -10.574 1.00 0.00 C ATOM 218 C GLY A 47 -7.914 11.148 -9.107 1.00 0.00 C ATOM 219 O GLY A 47 -7.325 12.189 -8.824 1.00 0.00 O ATOM 0 H GLY A 47 -8.010 8.636 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.943 10.632 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.461 11.484 -11.156 1.00 0.00 H new ATOM 223 N ASP A 48 -8.488 10.387 -8.170 1.00 0.00 N ATOM 224 CA ASP A 48 -8.341 10.624 -6.726 1.00 0.00 C ATOM 225 C ASP A 48 -7.066 9.957 -6.170 1.00 0.00 C ATOM 226 O ASP A 48 -6.526 9.020 -6.764 1.00 0.00 O ATOM 227 CB ASP A 48 -9.606 10.132 -5.999 1.00 0.00 C ATOM 228 CG ASP A 48 -9.709 10.581 -4.529 1.00 0.00 C ATOM 229 OD1 ASP A 48 -9.152 11.646 -4.173 1.00 0.00 O1- ATOM 230 OD2 ASP A 48 -10.383 9.874 -3.743 1.00 0.00 O ATOM 0 H ASP A 48 -9.073 9.582 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.230 11.694 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.483 10.490 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.632 9.043 -6.036 1.00 0.00 H new ATOM 235 N ASN A 49 -6.580 10.429 -5.018 1.00 0.00 N ATOM 236 CA ASN A 49 -5.483 9.797 -4.285 1.00 0.00 C ATOM 237 C ASN A 49 -6.002 8.686 -3.349 1.00 0.00 C ATOM 238 O ASN A 49 -6.943 8.885 -2.579 1.00 0.00 O ATOM 239 CB ASN A 49 -4.620 10.846 -3.557 1.00 0.00 C ATOM 240 CG ASN A 49 -5.368 11.652 -2.497 1.00 0.00 C ATOM 241 OD1 ASN A 49 -5.395 11.303 -1.324 1.00 0.00 O ATOM 242 ND2 ASN A 49 -5.973 12.765 -2.875 1.00 0.00 N ATOM 0 H ASN A 49 -6.942 11.268 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.827 9.308 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.777 10.341 -3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.207 11.534 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.465 13.337 -2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.948 13.052 -3.853 1.00 0.00 H new ATOM 249 N ALA A 50 -5.382 7.506 -3.433 1.00 0.00 N ATOM 250 CA ALA A 50 -5.735 6.307 -2.668 1.00 0.00 C ATOM 251 C ALA A 50 -4.642 5.975 -1.641 1.00 0.00 C ATOM 252 O ALA A 50 -3.508 5.723 -2.053 1.00 0.00 O ATOM 253 CB ALA A 50 -5.909 5.161 -3.677 1.00 0.00 C ATOM 0 H ALA A 50 -4.591 7.354 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.657 6.465 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.173 4.246 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.701 5.414 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.976 5.009 -4.220 1.00 0.00 H new ATOM 259 N THR A 51 -4.958 5.956 -0.338 1.00 0.00 N ATOM 260 CA THR A 51 -3.982 5.725 0.744 1.00 0.00 C ATOM 261 C THR A 51 -4.344 4.500 1.577 1.00 0.00 C ATOM 262 O THR A 51 -5.440 4.423 2.133 1.00 0.00 O ATOM 263 CB THR A 51 -3.858 6.958 1.650 1.00 0.00 C ATOM 264 OG1 THR A 51 -3.573 8.088 0.855 1.00 0.00 O ATOM 265 CG2 THR A 51 -2.739 6.818 2.689 1.00 0.00 C ATOM 0 H THR A 51 -5.909 6.102 0.001 1.00 0.00 H new ATOM 0 HA THR A 51 -3.018 5.541 0.269 1.00 0.00 H new ATOM 0 HB THR A 51 -4.805 7.062 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.609 8.132 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.697 7.718 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.939 5.955 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.785 6.681 2.180 1.00 0.00 H new ATOM 273 N PHE A 52 -3.390 3.577 1.696 1.00 0.00 N ATOM 274 CA PHE A 52 -3.413 2.437 2.614 1.00 0.00 C ATOM 275 C PHE A 52 -2.562 2.733 3.856 1.00 0.00 C ATOM 276 O PHE A 52 -1.580 3.477 3.781 1.00 0.00 O ATOM 277 CB PHE A 52 -2.857 1.191 1.909 1.00 0.00 C ATOM 278 CG PHE A 52 -3.713 0.672 0.773 1.00 0.00 C ATOM 279 CD1 PHE A 52 -4.751 -0.242 1.038 1.00 0.00 C ATOM 280 CD2 PHE A 52 -3.460 1.085 -0.549 1.00 0.00 C ATOM 281 CE1 PHE A 52 -5.530 -0.746 -0.016 1.00 0.00 C ATOM 282 CE2 PHE A 52 -4.236 0.577 -1.605 1.00 0.00 C ATOM 283 CZ PHE A 52 -5.268 -0.338 -1.336 1.00 0.00 C ATOM 0 H PHE A 52 -2.542 3.604 1.130 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.444 2.260 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.865 1.422 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.735 0.397 2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.948 -0.556 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.669 1.792 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.328 -1.445 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.040 0.889 -2.620 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.863 -0.730 -2.147 1.00 0.00 H new ATOM 293 N THR A 53 -2.899 2.096 4.979 1.00 0.00 N ATOM 294 CA THR A 53 -2.118 2.100 6.224 1.00 0.00 C ATOM 295 C THR A 53 -1.393 0.763 6.356 1.00 0.00 C ATOM 296 O THR A 53 -2.029 -0.280 6.211 1.00 0.00 O ATOM 297 CB THR A 53 -3.043 2.331 7.426 1.00 0.00 C ATOM 298 OG1 THR A 53 -3.800 3.507 7.217 1.00 0.00 O ATOM 299 CG2 THR A 53 -2.254 2.510 8.724 1.00 0.00 C ATOM 0 H THR A 53 -3.753 1.543 5.052 1.00 0.00 H new ATOM 0 HA THR A 53 -1.386 2.908 6.199 1.00 0.00 H new ATOM 0 HB THR A 53 -3.684 1.454 7.517 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.393 3.655 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.946 2.671 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.661 1.616 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.592 3.371 8.632 1.00 0.00 H new ATOM 307 N CYS A 54 -0.090 0.780 6.648 1.00 0.00 N ATOM 308 CA CYS A 54 0.716 -0.407 6.984 1.00 0.00 C ATOM 309 C CYS A 54 1.353 -0.267 8.377 1.00 0.00 C ATOM 310 O CYS A 54 2.091 0.686 8.630 1.00 0.00 O ATOM 311 CB CYS A 54 1.811 -0.625 5.927 1.00 0.00 C ATOM 312 SG CYS A 54 2.809 -2.118 6.213 1.00 0.00 S ATOM 0 H CYS A 54 0.454 1.643 6.659 1.00 0.00 H new ATOM 0 HA CYS A 54 0.052 -1.272 6.995 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.347 -0.691 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.468 0.244 5.912 1.00 0.00 H new ATOM 317 N SER A 55 1.106 -1.228 9.268 1.00 0.00 N ATOM 318 CA SER A 55 1.629 -1.263 10.646 1.00 0.00 C ATOM 319 C SER A 55 2.375 -2.582 10.925 1.00 0.00 C ATOM 320 O SER A 55 2.010 -3.624 10.376 1.00 0.00 O ATOM 321 CB SER A 55 0.464 -1.091 11.631 1.00 0.00 C ATOM 322 OG SER A 55 0.931 -0.976 12.967 1.00 0.00 O ATOM 0 H SER A 55 0.518 -2.032 9.049 1.00 0.00 H new ATOM 0 HA SER A 55 2.341 -0.448 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.111 -0.203 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.211 -1.943 11.551 1.00 0.00 H new ATOM 0 HG SER A 55 0.168 -0.866 13.572 1.00 0.00 H new ATOM 328 N PHE A 56 3.430 -2.550 11.750 1.00 0.00 N ATOM 329 CA PHE A 56 4.373 -3.661 11.961 1.00 0.00 C ATOM 330 C PHE A 56 5.165 -3.511 13.276 1.00 0.00 C ATOM 331 O PHE A 56 5.350 -2.398 13.768 1.00 0.00 O ATOM 332 CB PHE A 56 5.331 -3.765 10.757 1.00 0.00 C ATOM 333 CG PHE A 56 6.336 -2.633 10.663 1.00 0.00 C ATOM 334 CD1 PHE A 56 5.964 -1.401 10.092 1.00 0.00 C ATOM 335 CD2 PHE A 56 7.631 -2.796 11.187 1.00 0.00 C ATOM 336 CE1 PHE A 56 6.878 -0.335 10.064 1.00 0.00 C ATOM 337 CE2 PHE A 56 8.546 -1.730 11.152 1.00 0.00 C ATOM 338 CZ PHE A 56 8.172 -0.499 10.587 1.00 0.00 C ATOM 0 H PHE A 56 3.659 -1.727 12.307 1.00 0.00 H new ATOM 0 HA PHE A 56 3.794 -4.580 12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.870 -4.711 10.816 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.743 -3.791 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.976 -1.276 9.675 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.923 -3.743 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.585 0.614 9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.538 -1.857 11.560 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.877 0.319 10.555 1.00 0.00 H new ATOM 424 N PHE A 63 16.211 -1.240 9.419 1.00 0.00 N ATOM 425 CA PHE A 63 15.476 -1.857 8.312 1.00 0.00 C ATOM 426 C PHE A 63 14.897 -0.820 7.334 1.00 0.00 C ATOM 427 O PHE A 63 14.781 0.365 7.651 1.00 0.00 O ATOM 428 CB PHE A 63 14.372 -2.784 8.884 1.00 0.00 C ATOM 429 CG PHE A 63 13.587 -2.225 10.060 1.00 0.00 C ATOM 430 CD1 PHE A 63 12.653 -1.191 9.861 1.00 0.00 C ATOM 431 CD2 PHE A 63 13.805 -2.729 11.359 1.00 0.00 C ATOM 432 CE1 PHE A 63 11.961 -0.647 10.957 1.00 0.00 C ATOM 433 CE2 PHE A 63 13.103 -2.192 12.453 1.00 0.00 C ATOM 434 CZ PHE A 63 12.186 -1.146 12.253 1.00 0.00 C ATOM 0 HA PHE A 63 16.178 -2.452 7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.672 -3.022 8.083 1.00 0.00 H new ATOM 0 HB3 PHE A 63 14.834 -3.722 9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.468 -0.815 8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.513 -3.530 11.514 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.255 0.156 10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.269 -2.583 13.446 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.654 -0.725 13.094 1.00 0.00 H new ATOM 444 N VAL A 64 14.509 -1.295 6.149 1.00 0.00 N ATOM 445 CA VAL A 64 13.758 -0.559 5.119 1.00 0.00 C ATOM 446 C VAL A 64 12.339 -1.134 5.047 1.00 0.00 C ATOM 447 O VAL A 64 12.174 -2.354 5.079 1.00 0.00 O ATOM 448 CB VAL A 64 14.446 -0.667 3.732 1.00 0.00 C ATOM 449 CG1 VAL A 64 13.706 0.158 2.664 1.00 0.00 C ATOM 450 CG2 VAL A 64 15.909 -0.190 3.784 1.00 0.00 C ATOM 0 H VAL A 64 14.719 -2.251 5.863 1.00 0.00 H new ATOM 0 HA VAL A 64 13.727 0.497 5.388 1.00 0.00 H new ATOM 0 HB VAL A 64 14.416 -1.723 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.218 0.057 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.683 -0.205 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.693 1.207 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.357 -0.281 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.941 0.852 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.467 -0.803 4.492 1.00 0.00 H new ATOM 460 N LEU A 65 11.322 -0.273 4.932 1.00 0.00 N ATOM 461 CA LEU A 65 9.942 -0.679 4.643 1.00 0.00 C ATOM 462 C LEU A 65 9.619 -0.395 3.169 1.00 0.00 C ATOM 463 O LEU A 65 9.881 0.699 2.679 1.00 0.00 O ATOM 464 CB LEU A 65 8.984 0.056 5.599 1.00 0.00 C ATOM 465 CG LEU A 65 7.565 -0.552 5.632 1.00 0.00 C ATOM 466 CD1 LEU A 65 7.546 -1.901 6.370 1.00 0.00 C ATOM 467 CD2 LEU A 65 6.611 0.418 6.334 1.00 0.00 C ATOM 0 H LEU A 65 11.435 0.735 5.038 1.00 0.00 H new ATOM 0 HA LEU A 65 9.819 -1.750 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.402 0.038 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.916 1.102 5.300 1.00 0.00 H new ATOM 0 HG LEU A 65 7.247 -0.720 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.531 -2.299 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.209 -2.602 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.884 -1.759 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.609 -0.010 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.955 0.593 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.589 1.363 5.791 1.00 0.00 H new ATOM 479 N ASN A 66 9.064 -1.378 2.463 1.00 0.00 N ATOM 480 CA ASN A 66 8.846 -1.363 1.011 1.00 0.00 C ATOM 481 C ASN A 66 7.379 -1.653 0.657 1.00 0.00 C ATOM 482 O ASN A 66 6.656 -2.272 1.442 1.00 0.00 O ATOM 483 CB ASN A 66 9.745 -2.423 0.356 1.00 0.00 C ATOM 484 CG ASN A 66 11.226 -2.244 0.666 1.00 0.00 C ATOM 485 OD1 ASN A 66 11.946 -1.545 -0.035 1.00 0.00 O ATOM 486 ND2 ASN A 66 11.721 -2.877 1.714 1.00 0.00 N ATOM 0 H ASN A 66 8.740 -2.241 2.900 1.00 0.00 H new ATOM 0 HA ASN A 66 9.093 -0.369 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.429 -3.411 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.602 -2.391 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.710 -2.785 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.114 -3.457 2.293 1.00 0.00 H new ATOM 493 N TRP A 67 6.947 -1.239 -0.538 1.00 0.00 N ATOM 494 CA TRP A 67 5.566 -1.370 -1.011 1.00 0.00 C ATOM 495 C TRP A 67 5.491 -1.987 -2.417 1.00 0.00 C ATOM 496 O TRP A 67 6.293 -1.648 -3.291 1.00 0.00 O ATOM 497 CB TRP A 67 4.946 0.031 -0.974 1.00 0.00 C ATOM 498 CG TRP A 67 3.469 0.122 -1.191 1.00 0.00 C ATOM 499 CD1 TRP A 67 2.540 -0.770 -0.781 1.00 0.00 C ATOM 500 CD2 TRP A 67 2.721 1.223 -1.784 1.00 0.00 C ATOM 501 NE1 TRP A 67 1.279 -0.326 -1.117 1.00 0.00 N ATOM 502 CE2 TRP A 67 1.328 0.914 -1.714 1.00 0.00 C ATOM 503 CE3 TRP A 67 3.081 2.473 -2.332 1.00 0.00 C ATOM 504 CZ2 TRP A 67 0.344 1.798 -2.167 1.00 0.00 C ATOM 505 CZ3 TRP A 67 2.099 3.376 -2.772 1.00 0.00 C ATOM 506 CH2 TRP A 67 0.739 3.040 -2.686 1.00 0.00 C ATOM 0 H TRP A 67 7.562 -0.793 -1.219 1.00 0.00 H new ATOM 0 HA TRP A 67 5.012 -2.053 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.175 0.478 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.439 0.640 -1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.754 -1.695 -0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.420 -0.849 -0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.125 2.739 -2.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.701 1.530 -2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.392 4.333 -3.178 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -0.009 3.743 -3.022 1.00 0.00 H new ATOM 517 N TYR A 68 4.530 -2.893 -2.642 1.00 0.00 N ATOM 518 CA TYR A 68 4.418 -3.701 -3.862 1.00 0.00 C ATOM 519 C TYR A 68 2.968 -3.870 -4.354 1.00 0.00 C ATOM 520 O TYR A 68 2.036 -3.977 -3.549 1.00 0.00 O ATOM 521 CB TYR A 68 5.013 -5.099 -3.619 1.00 0.00 C ATOM 522 CG TYR A 68 6.411 -5.132 -3.029 1.00 0.00 C ATOM 523 CD1 TYR A 68 6.584 -5.125 -1.630 1.00 0.00 C ATOM 524 CD2 TYR A 68 7.535 -5.185 -3.875 1.00 0.00 C ATOM 525 CE1 TYR A 68 7.877 -5.144 -1.076 1.00 0.00 C ATOM 526 CE2 TYR A 68 8.832 -5.212 -3.326 1.00 0.00 C ATOM 527 CZ TYR A 68 9.007 -5.180 -1.925 1.00 0.00 C ATOM 528 OH TYR A 68 10.260 -5.180 -1.388 1.00 0.00 O ATOM 0 H TYR A 68 3.793 -3.088 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 68 4.969 -3.162 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.346 -5.646 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.027 -5.636 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.721 -5.105 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.403 -5.205 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.006 -5.131 -0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.693 -5.257 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 68 10.924 -5.208 -2.108 1.00 0.00 H new ATOM 538 N ARG A 69 2.803 -3.966 -5.680 1.00 0.00 N ATOM 539 CA ARG A 69 1.559 -4.367 -6.362 1.00 0.00 C ATOM 540 C ARG A 69 1.768 -5.742 -7.005 1.00 0.00 C ATOM 541 O ARG A 69 2.826 -5.970 -7.591 1.00 0.00 O ATOM 542 CB ARG A 69 1.193 -3.328 -7.436 1.00 0.00 C ATOM 543 CG ARG A 69 -0.147 -3.625 -8.128 1.00 0.00 C ATOM 544 CD ARG A 69 -0.518 -2.524 -9.129 1.00 0.00 C ATOM 545 NE ARG A 69 -1.758 -2.852 -9.855 1.00 0.00 N ATOM 546 CZ ARG A 69 -1.867 -3.616 -10.936 1.00 0.00 C ATOM 547 NH1 ARG A 69 -0.817 -4.163 -11.518 1.00 0.00 N1+ ATOM 548 NH2 ARG A 69 -3.047 -3.853 -11.460 1.00 0.00 N ATOM 0 H ARG A 69 3.558 -3.760 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 69 0.743 -4.422 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.148 -2.340 -6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.983 -3.295 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.087 -4.583 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.933 -3.716 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.643 -1.578 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.297 -2.388 -9.840 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.622 -2.451 -9.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.117 -4.005 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.939 -4.744 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.883 -3.450 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.128 -4.440 -12.290 1.00 0.00 H new ATOM 562 N MET A 70 0.797 -6.653 -6.930 1.00 0.00 N ATOM 563 CA MET A 70 0.889 -7.974 -7.573 1.00 0.00 C ATOM 564 C MET A 70 0.419 -7.950 -9.033 1.00 0.00 C ATOM 565 O MET A 70 -0.516 -7.231 -9.389 1.00 0.00 O ATOM 566 CB MET A 70 0.130 -9.059 -6.800 1.00 0.00 C ATOM 567 CG MET A 70 0.514 -9.112 -5.315 1.00 0.00 C ATOM 568 SD MET A 70 0.102 -10.663 -4.475 1.00 0.00 S ATOM 569 CE MET A 70 1.352 -11.750 -5.218 1.00 0.00 C ATOM 0 H MET A 70 -0.076 -6.501 -6.424 1.00 0.00 H new ATOM 0 HA MET A 70 1.949 -8.226 -7.560 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.941 -8.878 -6.887 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.328 -10.029 -7.256 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.587 -8.942 -5.226 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.017 -8.292 -4.797 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.390 -12.690 -4.668 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.090 -11.948 -6.257 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.327 -11.265 -5.176 1.00 0.00 H new ATOM 579 N SER A 71 1.046 -8.762 -9.879 1.00 0.00 N ATOM 580 CA SER A 71 0.599 -9.011 -11.259 1.00 0.00 C ATOM 581 C SER A 71 -0.456 -10.143 -11.330 1.00 0.00 C ATOM 582 O SER A 71 -0.560 -10.943 -10.389 1.00 0.00 O ATOM 583 CB SER A 71 1.825 -9.320 -12.140 1.00 0.00 C ATOM 584 OG SER A 71 2.280 -10.660 -12.004 1.00 0.00 O ATOM 0 H SER A 71 1.891 -9.276 -9.629 1.00 0.00 H new ATOM 0 HA SER A 71 0.107 -8.114 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.573 -9.131 -13.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.635 -8.638 -11.879 1.00 0.00 H new ATOM 0 HG SER A 71 2.949 -10.850 -12.694 1.00 0.00 H new ATOM 590 N PRO A 72 -1.221 -10.271 -12.440 1.00 0.00 N ATOM 591 CA PRO A 72 -2.110 -11.416 -12.660 1.00 0.00 C ATOM 592 C PRO A 72 -1.338 -12.732 -12.871 1.00 0.00 C ATOM 593 O PRO A 72 -1.895 -13.806 -12.657 1.00 0.00 O ATOM 594 CB PRO A 72 -2.957 -11.047 -13.883 1.00 0.00 C ATOM 595 CG PRO A 72 -2.057 -10.093 -14.664 1.00 0.00 C ATOM 596 CD PRO A 72 -1.322 -9.340 -13.558 1.00 0.00 C ATOM 0 HA PRO A 72 -2.730 -11.603 -11.783 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.216 -11.927 -14.472 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.893 -10.570 -13.594 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.367 -10.630 -15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.634 -9.419 -15.297 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.334 -9.022 -13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.866 -8.441 -13.270 1.00 0.00 H new ATOM 604 N SER A 73 -0.050 -12.667 -13.227 1.00 0.00 N ATOM 605 CA SER A 73 0.879 -13.812 -13.265 1.00 0.00 C ATOM 606 C SER A 73 1.478 -14.145 -11.877 1.00 0.00 C ATOM 607 O SER A 73 2.464 -14.878 -11.782 1.00 0.00 O ATOM 608 CB SER A 73 2.001 -13.539 -14.284 1.00 0.00 C ATOM 609 OG SER A 73 1.484 -13.224 -15.575 1.00 0.00 O ATOM 0 H SER A 73 0.392 -11.791 -13.506 1.00 0.00 H new ATOM 0 HA SER A 73 0.305 -14.685 -13.573 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.620 -12.714 -13.930 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.647 -14.414 -14.356 1.00 0.00 H new ATOM 0 HG SER A 73 2.226 -13.056 -16.192 1.00 0.00 H new ATOM 615 N ASN A 74 0.923 -13.571 -10.800 1.00 0.00 N ATOM 616 CA ASN A 74 1.295 -13.737 -9.385 1.00 0.00 C ATOM 617 C ASN A 74 2.729 -13.295 -9.016 1.00 0.00 C ATOM 618 O ASN A 74 3.267 -13.718 -7.988 1.00 0.00 O ATOM 619 CB ASN A 74 0.852 -15.110 -8.829 1.00 0.00 C ATOM 620 CG ASN A 74 1.651 -16.326 -9.304 1.00 0.00 C ATOM 621 OD1 ASN A 74 1.144 -17.181 -10.024 1.00 0.00 O ATOM 622 ND2 ASN A 74 2.897 -16.467 -8.887 1.00 0.00 N ATOM 0 H ASN A 74 0.139 -12.927 -10.903 1.00 0.00 H new ATOM 0 HA ASN A 74 0.708 -12.999 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.904 -15.071 -7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.194 -15.264 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.438 -17.287 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.318 -15.756 -8.289 1.00 0.00 H new ATOM 629 N GLN A 75 3.338 -12.427 -9.827 1.00 0.00 N ATOM 630 CA GLN A 75 4.589 -11.736 -9.500 1.00 0.00 C ATOM 631 C GLN A 75 4.275 -10.412 -8.771 1.00 0.00 C ATOM 632 O GLN A 75 3.117 -10.152 -8.430 1.00 0.00 O ATOM 633 CB GLN A 75 5.436 -11.530 -10.775 1.00 0.00 C ATOM 634 CG GLN A 75 5.770 -12.833 -11.527 1.00 0.00 C ATOM 635 CD GLN A 75 6.607 -13.806 -10.691 1.00 0.00 C ATOM 636 OE1 GLN A 75 6.110 -14.761 -10.106 1.00 0.00 O ATOM 637 NE2 GLN A 75 7.902 -13.591 -10.571 1.00 0.00 N ATOM 0 H GLN A 75 2.970 -12.180 -10.746 1.00 0.00 H new ATOM 0 HA GLN A 75 5.186 -12.347 -8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.901 -10.861 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.366 -11.031 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.843 -13.323 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.310 -12.590 -12.442 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.334 -12.801 -11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.472 -14.214 -9.999 1.00 0.00 H new ATOM 646 N THR A 76 5.288 -9.571 -8.525 1.00 0.00 N ATOM 647 CA THR A 76 5.196 -8.322 -7.753 1.00 0.00 C ATOM 648 C THR A 76 6.061 -7.248 -8.384 1.00 0.00 C ATOM 649 O THR A 76 7.172 -7.522 -8.841 1.00 0.00 O ATOM 650 CB THR A 76 5.617 -8.492 -6.283 1.00 0.00 C ATOM 651 OG1 THR A 76 6.688 -9.405 -6.151 1.00 0.00 O ATOM 652 CG2 THR A 76 4.454 -8.968 -5.416 1.00 0.00 C ATOM 0 H THR A 76 6.231 -9.748 -8.871 1.00 0.00 H new ATOM 0 HA THR A 76 4.146 -8.031 -7.770 1.00 0.00 H new ATOM 0 HB THR A 76 5.939 -7.508 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.932 -9.489 -5.206 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.790 -9.077 -4.385 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.645 -8.238 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.096 -9.929 -5.784 1.00 0.00 H new ATOM 660 N ASP A 77 5.558 -6.019 -8.370 1.00 0.00 N ATOM 661 CA ASP A 77 6.253 -4.825 -8.836 1.00 0.00 C ATOM 662 C ASP A 77 6.441 -3.835 -7.685 1.00 0.00 C ATOM 663 O ASP A 77 5.506 -3.539 -6.937 1.00 0.00 O ATOM 664 CB ASP A 77 5.440 -4.196 -9.967 1.00 0.00 C ATOM 665 CG ASP A 77 6.227 -3.107 -10.712 1.00 0.00 C ATOM 666 OD1 ASP A 77 7.295 -3.424 -11.290 1.00 0.00 O1- ATOM 667 OD2 ASP A 77 5.770 -1.939 -10.728 1.00 0.00 O ATOM 0 H ASP A 77 4.621 -5.820 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 77 7.242 -5.093 -9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.141 -4.972 -10.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.525 -3.766 -9.559 1.00 0.00 H new ATOM 672 N LYS A 78 7.669 -3.339 -7.542 1.00 0.00 N ATOM 673 CA LYS A 78 8.092 -2.474 -6.439 1.00 0.00 C ATOM 674 C LYS A 78 7.713 -1.009 -6.719 1.00 0.00 C ATOM 675 O LYS A 78 8.144 -0.417 -7.712 1.00 0.00 O ATOM 676 CB LYS A 78 9.598 -2.691 -6.205 1.00 0.00 C ATOM 677 CG LYS A 78 10.079 -2.137 -4.857 1.00 0.00 C ATOM 678 CD LYS A 78 11.542 -2.550 -4.627 1.00 0.00 C ATOM 679 CE LYS A 78 11.989 -2.334 -3.177 1.00 0.00 C ATOM 680 NZ LYS A 78 12.162 -0.901 -2.830 1.00 0.00 N1+ ATOM 0 H LYS A 78 8.418 -3.532 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 78 7.571 -2.733 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.818 -3.757 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.158 -2.213 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.990 -1.051 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.451 -2.517 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.666 -3.601 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.187 -1.977 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.254 -2.778 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.930 -2.858 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.128 -0.787 -1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.080 -0.566 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.399 -0.344 -3.265 1.00 0.00 H new ATOM 694 N LEU A 79 6.885 -0.439 -5.842 1.00 0.00 N ATOM 695 CA LEU A 79 6.225 0.856 -6.036 1.00 0.00 C ATOM 696 C LEU A 79 7.032 2.014 -5.444 1.00 0.00 C ATOM 697 O LEU A 79 7.262 3.011 -6.125 1.00 0.00 O ATOM 698 CB LEU A 79 4.833 0.786 -5.383 1.00 0.00 C ATOM 699 CG LEU A 79 3.918 -0.337 -5.915 1.00 0.00 C ATOM 700 CD1 LEU A 79 2.657 -0.342 -5.047 1.00 0.00 C ATOM 701 CD2 LEU A 79 3.573 -0.150 -7.399 1.00 0.00 C ATOM 0 H LEU A 79 6.647 -0.877 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 79 6.142 1.051 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.959 0.653 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.331 1.743 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 79 4.434 -1.295 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.981 -1.125 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.931 -0.530 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.160 0.625 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.927 -0.964 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.057 0.800 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.490 -0.153 -7.989 1.00 0.00 H new ATOM 713 N ALA A 80 7.459 1.862 -4.187 1.00 0.00 N ATOM 714 CA ALA A 80 8.123 2.867 -3.354 1.00 0.00 C ATOM 715 C ALA A 80 8.613 2.223 -2.041 1.00 0.00 C ATOM 716 O ALA A 80 8.356 1.042 -1.783 1.00 0.00 O ATOM 717 CB ALA A 80 7.160 4.045 -3.109 1.00 0.00 C ATOM 0 H ALA A 80 7.342 0.977 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 80 9.002 3.259 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.652 4.794 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.880 4.491 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.266 3.684 -2.601 1.00 0.00 H new ATOM 723 N ALA A 81 9.325 2.994 -1.217 1.00 0.00 N ATOM 724 CA ALA A 81 9.898 2.556 0.058 1.00 0.00 C ATOM 725 C ALA A 81 10.213 3.739 0.991 1.00 0.00 C ATOM 726 O ALA A 81 10.156 4.900 0.580 1.00 0.00 O ATOM 727 CB ALA A 81 11.157 1.723 -0.239 1.00 0.00 C ATOM 0 H ALA A 81 9.525 3.972 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 81 9.166 1.946 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.600 1.386 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.886 0.858 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.878 2.334 -0.782 1.00 0.00 H new ATOM 733 N PHE A 82 10.586 3.431 2.235 1.00 0.00 N ATOM 734 CA PHE A 82 11.141 4.378 3.197 1.00 0.00 C ATOM 735 C PHE A 82 12.229 3.693 4.057 1.00 0.00 C ATOM 736 O PHE A 82 11.911 2.737 4.774 1.00 0.00 O ATOM 737 CB PHE A 82 10.024 4.967 4.065 1.00 0.00 C ATOM 738 CG PHE A 82 10.517 6.086 4.962 1.00 0.00 C ATOM 739 CD1 PHE A 82 10.558 7.407 4.475 1.00 0.00 C ATOM 740 CD2 PHE A 82 10.957 5.810 6.270 1.00 0.00 C ATOM 741 CE1 PHE A 82 11.011 8.450 5.303 1.00 0.00 C ATOM 742 CE2 PHE A 82 11.408 6.852 7.098 1.00 0.00 C ATOM 743 CZ PHE A 82 11.432 8.173 6.616 1.00 0.00 C ATOM 0 H PHE A 82 10.507 2.486 2.610 1.00 0.00 H new ATOM 0 HA PHE A 82 11.613 5.200 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.229 5.344 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.590 4.178 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.241 7.619 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.948 4.795 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.036 9.463 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.736 6.638 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.774 8.975 7.254 1.00 0.00 H new ATOM 753 N PRO A 83 13.496 4.161 4.011 1.00 0.00 N ATOM 754 CA PRO A 83 14.029 5.146 3.063 1.00 0.00 C ATOM 755 C PRO A 83 13.937 4.632 1.617 1.00 0.00 C ATOM 756 O PRO A 83 13.835 3.427 1.384 1.00 0.00 O ATOM 757 CB PRO A 83 15.482 5.381 3.492 1.00 0.00 C ATOM 758 CG PRO A 83 15.871 4.059 4.150 1.00 0.00 C ATOM 759 CD PRO A 83 14.574 3.634 4.835 1.00 0.00 C ATOM 0 HA PRO A 83 13.458 6.074 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.121 5.610 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.566 6.217 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.202 3.323 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.684 4.186 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.511 2.549 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.520 4.030 5.849 1.00 0.00 H new ATOM 907 N ARG A 94 3.460 8.955 -8.654 1.00 0.00 N ATOM 908 CA ARG A 94 2.192 8.649 -7.984 1.00 0.00 C ATOM 909 C ARG A 94 2.390 7.924 -6.650 1.00 0.00 C ATOM 910 O ARG A 94 1.599 8.144 -5.735 1.00 0.00 O ATOM 911 CB ARG A 94 1.318 7.775 -8.902 1.00 0.00 C ATOM 912 CG ARG A 94 1.039 8.458 -10.246 1.00 0.00 C ATOM 913 CD ARG A 94 0.126 7.617 -11.142 1.00 0.00 C ATOM 914 NE ARG A 94 0.228 8.100 -12.525 1.00 0.00 N ATOM 915 CZ ARG A 94 -0.494 9.048 -13.106 1.00 0.00 C ATOM 916 NH1 ARG A 94 -1.560 9.576 -12.539 1.00 0.00 N ATOM 917 NH2 ARG A 94 -0.139 9.480 -14.295 1.00 0.00 N1+ ATOM 0 HA ARG A 94 1.704 9.601 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.816 6.821 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.374 7.556 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.577 9.430 -10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.982 8.642 -10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.412 6.567 -11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.905 7.684 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 94 0.937 7.654 -13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.858 9.257 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.087 10.304 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.681 9.086 -14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.683 10.209 -14.756 1.00 0.00 H new ATOM 931 N PHE A 95 3.402 7.055 -6.544 1.00 0.00 N ATOM 932 CA PHE A 95 3.589 6.133 -5.420 1.00 0.00 C ATOM 933 C PHE A 95 4.472 6.754 -4.329 1.00 0.00 C ATOM 934 O PHE A 95 5.643 7.053 -4.575 1.00 0.00 O ATOM 935 CB PHE A 95 4.175 4.813 -5.948 1.00 0.00 C ATOM 936 CG PHE A 95 3.336 4.180 -7.044 1.00 0.00 C ATOM 937 CD1 PHE A 95 2.131 3.530 -6.721 1.00 0.00 C ATOM 938 CD2 PHE A 95 3.732 4.287 -8.393 1.00 0.00 C ATOM 939 CE1 PHE A 95 1.320 2.998 -7.739 1.00 0.00 C ATOM 940 CE2 PHE A 95 2.921 3.753 -9.410 1.00 0.00 C ATOM 941 CZ PHE A 95 1.714 3.112 -9.084 1.00 0.00 C ATOM 0 H PHE A 95 4.130 6.972 -7.254 1.00 0.00 H new ATOM 0 HA PHE A 95 2.624 5.929 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.180 4.996 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.271 4.109 -5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.828 3.439 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.659 4.780 -8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.394 2.502 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.226 3.836 -10.443 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.089 2.707 -9.866 1.00 0.00 H new ATOM 951 N ARG A 96 3.907 6.961 -3.134 1.00 0.00 N ATOM 952 CA ARG A 96 4.537 7.726 -2.041 1.00 0.00 C ATOM 953 C ARG A 96 4.328 7.029 -0.689 1.00 0.00 C ATOM 954 O ARG A 96 3.245 6.509 -0.432 1.00 0.00 O ATOM 955 CB ARG A 96 3.961 9.158 -2.012 1.00 0.00 C ATOM 956 CG ARG A 96 4.109 9.877 -3.366 1.00 0.00 C ATOM 957 CD ARG A 96 3.594 11.317 -3.346 1.00 0.00 C ATOM 958 NE ARG A 96 3.512 11.833 -4.722 1.00 0.00 N ATOM 959 CZ ARG A 96 3.042 13.006 -5.121 1.00 0.00 C ATOM 960 NH1 ARG A 96 2.610 13.919 -4.277 1.00 0.00 N1+ ATOM 961 NH2 ARG A 96 3.007 13.253 -6.409 1.00 0.00 N ATOM 0 H ARG A 96 2.985 6.598 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 96 5.611 7.777 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.907 9.117 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.469 9.736 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.160 9.878 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.569 9.316 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.613 11.356 -2.874 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.259 11.943 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 96 3.858 11.214 -5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.629 13.736 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.256 14.810 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.336 12.551 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.651 14.147 -6.747 1.00 0.00 H new ATOM 975 N VAL A 97 5.353 7.014 0.167 1.00 0.00 N ATOM 976 CA VAL A 97 5.351 6.354 1.492 1.00 0.00 C ATOM 977 C VAL A 97 5.768 7.367 2.570 1.00 0.00 C ATOM 978 O VAL A 97 6.829 7.982 2.450 1.00 0.00 O ATOM 979 CB VAL A 97 6.288 5.118 1.498 1.00 0.00 C ATOM 980 CG1 VAL A 97 6.383 4.463 2.885 1.00 0.00 C ATOM 981 CG2 VAL A 97 5.813 4.054 0.491 1.00 0.00 C ATOM 0 H VAL A 97 6.239 7.473 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 97 4.343 6.000 1.710 1.00 0.00 H new ATOM 0 HB VAL A 97 7.273 5.489 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.051 3.603 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.773 5.185 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.393 4.136 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.490 3.200 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.807 3.728 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.806 4.480 -0.512 1.00 0.00 H new ATOM 991 N THR A 98 4.937 7.534 3.612 1.00 0.00 N ATOM 992 CA THR A 98 5.103 8.551 4.672 1.00 0.00 C ATOM 993 C THR A 98 4.986 7.919 6.058 1.00 0.00 C ATOM 994 O THR A 98 4.017 7.216 6.337 1.00 0.00 O ATOM 995 CB THR A 98 4.035 9.643 4.501 1.00 0.00 C ATOM 996 OG1 THR A 98 4.150 10.214 3.213 1.00 0.00 O ATOM 997 CG2 THR A 98 4.166 10.775 5.524 1.00 0.00 C ATOM 0 H THR A 98 4.110 6.953 3.747 1.00 0.00 H new ATOM 0 HA THR A 98 6.096 8.991 4.583 1.00 0.00 H new ATOM 0 HB THR A 98 3.070 9.158 4.649 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.469 10.909 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.384 11.514 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.065 10.369 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.142 11.249 5.420 1.00 0.00 H new ATOM 1005 N GLN A 99 5.959 8.189 6.933 1.00 0.00 N ATOM 1006 CA GLN A 99 5.995 7.700 8.319 1.00 0.00 C ATOM 1007 C GLN A 99 5.055 8.518 9.222 1.00 0.00 C ATOM 1008 O GLN A 99 5.022 9.750 9.146 1.00 0.00 O ATOM 1009 CB GLN A 99 7.446 7.771 8.835 1.00 0.00 C ATOM 1010 CG GLN A 99 7.657 7.051 10.182 1.00 0.00 C ATOM 1011 CD GLN A 99 9.123 7.051 10.640 1.00 0.00 C ATOM 1012 OE1 GLN A 99 9.955 7.836 10.203 1.00 0.00 O ATOM 1013 NE2 GLN A 99 9.510 6.180 11.552 1.00 0.00 N ATOM 0 H GLN A 99 6.764 8.768 6.694 1.00 0.00 H new ATOM 0 HA GLN A 99 5.648 6.667 8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.110 7.332 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.734 8.817 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.044 7.532 10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.309 6.022 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.841 5.513 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.478 6.174 11.873 1.00 0.00 H new ATOM 1022 N LEU A 100 4.316 7.837 10.105 1.00 0.00 N ATOM 1023 CA LEU A 100 3.407 8.451 11.081 1.00 0.00 C ATOM 1024 C LEU A 100 4.105 8.704 12.436 1.00 0.00 C ATOM 1025 O LEU A 100 5.078 8.007 12.756 1.00 0.00 O ATOM 1026 CB LEU A 100 2.179 7.532 11.265 1.00 0.00 C ATOM 1027 CG LEU A 100 1.422 7.176 9.969 1.00 0.00 C ATOM 1028 CD1 LEU A 100 0.162 6.369 10.304 1.00 0.00 C ATOM 1029 CD2 LEU A 100 1.027 8.415 9.157 1.00 0.00 C ATOM 0 H LEU A 100 4.333 6.819 10.163 1.00 0.00 H new ATOM 0 HA LEU A 100 3.091 9.423 10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.506 6.607 11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.484 8.015 11.951 1.00 0.00 H new ATOM 0 HG LEU A 100 2.102 6.583 9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.367 6.122 9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.444 5.450 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.488 6.961 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.497 8.106 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.379 9.053 9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.924 8.969 8.879 1.00 0.00 H new ATOM 1041 N PRO A 101 3.579 9.615 13.285 1.00 0.00 N ATOM 1042 CA PRO A 101 4.078 9.836 14.647 1.00 0.00 C ATOM 1043 C PRO A 101 3.891 8.628 15.587 1.00 0.00 C ATOM 1044 O PRO A 101 4.428 8.643 16.694 1.00 0.00 O ATOM 1045 CB PRO A 101 3.342 11.082 15.157 1.00 0.00 C ATOM 1046 CG PRO A 101 2.041 11.082 14.360 1.00 0.00 C ATOM 1047 CD PRO A 101 2.488 10.542 13.003 1.00 0.00 C ATOM 0 HA PRO A 101 5.159 9.976 14.631 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.155 11.026 16.229 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.920 11.989 14.981 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.283 10.448 14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.614 12.082 14.279 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.667 10.037 12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.820 11.350 12.350 1.00 0.00 H new ATOM 1055 N ASN A 102 3.191 7.564 15.160 1.00 0.00 N ATOM 1056 CA ASN A 102 3.137 6.281 15.880 1.00 0.00 C ATOM 1057 C ASN A 102 4.499 5.526 15.865 1.00 0.00 C ATOM 1058 O ASN A 102 4.694 4.551 16.593 1.00 0.00 O ATOM 1059 CB ASN A 102 1.989 5.452 15.273 1.00 0.00 C ATOM 1060 CG ASN A 102 1.557 4.249 16.115 1.00 0.00 C ATOM 1061 OD1 ASN A 102 1.757 4.186 17.323 1.00 0.00 O ATOM 1062 ND2 ASN A 102 0.918 3.265 15.508 1.00 0.00 N ATOM 0 H ASN A 102 2.643 7.570 14.300 1.00 0.00 H new ATOM 0 HA ASN A 102 2.940 6.460 16.937 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.127 6.103 15.125 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.295 5.099 14.288 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.595 2.460 16.044 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.748 3.311 14.503 1.00 0.00 H new ATOM 1069 N GLY A 103 5.456 5.973 15.036 1.00 0.00 N ATOM 1070 CA GLY A 103 6.874 5.569 15.019 1.00 0.00 C ATOM 1071 C GLY A 103 7.205 4.353 14.151 1.00 0.00 C ATOM 1072 O GLY A 103 8.257 4.346 13.509 1.00 0.00 O ATOM 0 H GLY A 103 5.250 6.667 14.317 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.470 6.413 14.672 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.185 5.358 16.042 1.00 0.00 H new ATOM 1076 N ARG A 104 6.297 3.375 14.055 1.00 0.00 N ATOM 1077 CA ARG A 104 6.397 2.231 13.134 1.00 0.00 C ATOM 1078 C ARG A 104 5.018 1.911 12.547 1.00 0.00 C ATOM 1079 O ARG A 104 4.341 0.939 12.878 1.00 0.00 O ATOM 1080 CB ARG A 104 7.102 1.039 13.813 1.00 0.00 C ATOM 1081 CG ARG A 104 6.509 0.578 15.157 1.00 0.00 C ATOM 1082 CD ARG A 104 7.330 -0.589 15.712 1.00 0.00 C ATOM 1083 NE ARG A 104 6.580 -1.328 16.740 1.00 0.00 N ATOM 1084 CZ ARG A 104 6.605 -1.165 18.056 1.00 0.00 C ATOM 1085 NH1 ARG A 104 7.332 -0.238 18.646 1.00 0.00 N ATOM 1086 NH2 ARG A 104 5.873 -1.968 18.794 1.00 0.00 N1+ ATOM 0 H ARG A 104 5.453 3.354 14.627 1.00 0.00 H new ATOM 0 HA ARG A 104 7.032 2.485 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.088 0.194 13.124 1.00 0.00 H new ATOM 0 HB3 ARG A 104 8.147 1.304 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.508 1.405 15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.471 0.273 15.022 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.601 -1.264 14.900 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.260 -0.212 16.137 1.00 0.00 H new ATOM 0 HE ARG A 104 5.960 -2.061 16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.907 0.392 18.087 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.319 -0.150 19.662 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.306 -2.692 18.352 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.871 -1.868 19.809 1.00 0.00 H new ATOM 1100 N ASP A 105 4.616 2.793 11.639 1.00 0.00 N ATOM 1101 CA ASP A 105 3.293 2.891 11.026 1.00 0.00 C ATOM 1102 C ASP A 105 3.404 3.883 9.867 1.00 0.00 C ATOM 1103 O ASP A 105 4.085 4.909 9.989 1.00 0.00 O ATOM 1104 CB ASP A 105 2.261 3.363 12.061 1.00 0.00 C ATOM 1105 CG ASP A 105 0.803 2.975 11.781 1.00 0.00 C ATOM 1106 OD1 ASP A 105 0.474 2.543 10.655 1.00 0.00 O1- ATOM 1107 OD2 ASP A 105 -0.008 3.125 12.725 1.00 0.00 O ATOM 0 H ASP A 105 5.250 3.510 11.286 1.00 0.00 H new ATOM 0 HA ASP A 105 2.959 1.920 10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.543 2.962 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.320 4.449 12.134 1.00 0.00 H new ATOM 1112 N PHE A 106 2.777 3.554 8.743 1.00 0.00 N ATOM 1113 CA PHE A 106 2.998 4.252 7.476 1.00 0.00 C ATOM 1114 C PHE A 106 1.745 4.396 6.615 1.00 0.00 C ATOM 1115 O PHE A 106 0.993 3.442 6.419 1.00 0.00 O ATOM 1116 CB PHE A 106 4.075 3.500 6.671 1.00 0.00 C ATOM 1117 CG PHE A 106 5.496 3.749 7.134 1.00 0.00 C ATOM 1118 CD1 PHE A 106 6.030 3.049 8.231 1.00 0.00 C ATOM 1119 CD2 PHE A 106 6.290 4.689 6.458 1.00 0.00 C ATOM 1120 CE1 PHE A 106 7.351 3.290 8.651 1.00 0.00 C ATOM 1121 CE2 PHE A 106 7.611 4.924 6.869 1.00 0.00 C ATOM 1122 CZ PHE A 106 8.144 4.226 7.966 1.00 0.00 C ATOM 0 H PHE A 106 2.099 2.794 8.682 1.00 0.00 H new ATOM 0 HA PHE A 106 3.314 5.263 7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.871 2.431 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.993 3.787 5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.424 2.324 8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.883 5.233 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 106 7.755 2.756 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.220 5.643 6.341 1.00 0.00 H new ATOM 0 HZ PHE A 106 9.161 4.409 8.282 1.00 0.00 H new ATOM 1132 N HIS A 107 1.587 5.583 6.028 1.00 0.00 N ATOM 1133 CA HIS A 107 0.623 5.857 4.962 1.00 0.00 C ATOM 1134 C HIS A 107 1.304 5.648 3.599 1.00 0.00 C ATOM 1135 O HIS A 107 2.360 6.228 3.331 1.00 0.00 O ATOM 1136 CB HIS A 107 0.079 7.290 5.097 1.00 0.00 C ATOM 1137 CG HIS A 107 -1.044 7.452 6.090 1.00 0.00 C ATOM 1138 ND1 HIS A 107 -1.680 6.425 6.794 1.00 0.00 N ATOM 1139 CD2 HIS A 107 -1.634 8.638 6.415 1.00 0.00 C ATOM 1140 CE1 HIS A 107 -2.629 7.023 7.534 1.00 0.00 C ATOM 1141 NE2 HIS A 107 -2.625 8.351 7.329 1.00 0.00 N ATOM 0 H HIS A 107 2.139 6.400 6.287 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.221 5.171 5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.898 7.948 5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.269 7.625 4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.375 9.613 6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.303 6.507 8.202 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -3.246 9.028 7.772 1.00 0.00 H new ATOM 1149 N MET A 108 0.709 4.816 2.743 1.00 0.00 N ATOM 1150 CA MET A 108 1.216 4.463 1.413 1.00 0.00 C ATOM 1151 C MET A 108 0.178 4.870 0.366 1.00 0.00 C ATOM 1152 O MET A 108 -0.921 4.317 0.325 1.00 0.00 O ATOM 1153 CB MET A 108 1.535 2.964 1.356 1.00 0.00 C ATOM 1154 CG MET A 108 2.535 2.568 2.448 1.00 0.00 C ATOM 1155 SD MET A 108 3.251 0.930 2.205 1.00 0.00 S ATOM 1156 CE MET A 108 4.435 0.931 3.565 1.00 0.00 C ATOM 0 H MET A 108 -0.172 4.351 2.964 1.00 0.00 H new ATOM 0 HA MET A 108 2.143 4.997 1.203 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.616 2.389 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.943 2.713 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.337 3.306 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.035 2.598 3.416 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.194 0.169 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.911 1.909 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.916 0.715 4.499 1.00 0.00 H new ATOM 1166 N SER A 109 0.508 5.863 -0.453 1.00 0.00 N ATOM 1167 CA SER A 109 -0.443 6.563 -1.323 1.00 0.00 C ATOM 1168 C SER A 109 -0.183 6.393 -2.827 1.00 0.00 C ATOM 1169 O SER A 109 0.938 6.604 -3.287 1.00 0.00 O ATOM 1170 CB SER A 109 -0.410 8.066 -1.008 1.00 0.00 C ATOM 1171 OG SER A 109 -0.784 8.320 0.339 1.00 0.00 O ATOM 0 H SER A 109 1.462 6.214 -0.536 1.00 0.00 H new ATOM 0 HA SER A 109 -1.413 6.112 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.592 8.456 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.084 8.596 -1.681 1.00 0.00 H new ATOM 0 HG SER A 109 -0.752 9.284 0.511 1.00 0.00 H new ATOM 1177 N VAL A 110 -1.233 6.068 -3.595 1.00 0.00 N ATOM 1178 CA VAL A 110 -1.279 6.123 -5.067 1.00 0.00 C ATOM 1179 C VAL A 110 -1.954 7.453 -5.413 1.00 0.00 C ATOM 1180 O VAL A 110 -3.179 7.546 -5.461 1.00 0.00 O ATOM 1181 CB VAL A 110 -2.056 4.950 -5.725 1.00 0.00 C ATOM 1182 CG1 VAL A 110 -1.922 5.017 -7.259 1.00 0.00 C ATOM 1183 CG2 VAL A 110 -1.588 3.571 -5.244 1.00 0.00 C ATOM 0 H VAL A 110 -2.113 5.745 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.264 6.038 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.097 5.067 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.471 4.190 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.330 5.961 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.870 4.947 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.170 2.795 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.532 3.441 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.728 3.495 -4.166 1.00 0.00 H new ATOM 1193 N VAL A 111 -1.156 8.504 -5.589 1.00 0.00 N ATOM 1194 CA VAL A 111 -1.643 9.858 -5.904 1.00 0.00 C ATOM 1195 C VAL A 111 -2.120 9.906 -7.362 1.00 0.00 C ATOM 1196 O VAL A 111 -1.349 9.612 -8.272 1.00 0.00 O ATOM 1197 CB VAL A 111 -0.570 10.934 -5.611 1.00 0.00 C ATOM 1198 CG1 VAL A 111 -1.052 12.345 -5.993 1.00 0.00 C ATOM 1199 CG2 VAL A 111 -0.203 10.926 -4.116 1.00 0.00 C ATOM 0 H VAL A 111 -0.140 8.445 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.489 10.086 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 111 0.302 10.688 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.269 13.070 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.283 12.375 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.947 12.591 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.553 11.687 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.092 11.138 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.190 9.947 -3.843 1.00 0.00 H new ATOM 1209 N ARG A 112 -3.398 10.260 -7.564 1.00 0.00 N ATOM 1210 CA ARG A 112 -4.095 10.287 -8.863 1.00 0.00 C ATOM 1211 C ARG A 112 -4.102 8.901 -9.524 1.00 0.00 C ATOM 1212 O ARG A 112 -3.356 8.636 -10.471 1.00 0.00 O ATOM 1213 CB ARG A 112 -3.541 11.385 -9.794 1.00 0.00 C ATOM 1214 CG ARG A 112 -3.771 12.784 -9.203 1.00 0.00 C ATOM 1215 CD ARG A 112 -3.310 13.902 -10.146 1.00 0.00 C ATOM 1216 NE ARG A 112 -1.847 13.896 -10.342 1.00 0.00 N ATOM 1217 CZ ARG A 112 -1.171 14.626 -11.223 1.00 0.00 C ATOM 1218 NH1 ARG A 112 -1.768 15.473 -12.037 1.00 0.00 N ATOM 1219 NH2 ARG A 112 0.138 14.513 -11.297 1.00 0.00 N1+ ATOM 0 H ARG A 112 -4.002 10.548 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.135 10.550 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.475 11.226 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.023 11.316 -10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.831 12.912 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.237 12.868 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.805 13.789 -11.111 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.617 14.866 -9.741 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.304 13.273 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.781 15.585 -12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.217 16.017 -12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.630 13.867 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.661 15.071 -11.972 1.00 0.00 H new ATOM 1233 N ALA A 113 -4.929 8.006 -8.988 1.00 0.00 N ATOM 1234 CA ALA A 113 -5.041 6.605 -9.396 1.00 0.00 C ATOM 1235 C ALA A 113 -5.897 6.415 -10.670 1.00 0.00 C ATOM 1236 O ALA A 113 -6.849 7.161 -10.908 1.00 0.00 O ATOM 1237 CB ALA A 113 -5.599 5.837 -8.193 1.00 0.00 C ATOM 0 H ALA A 113 -5.565 8.245 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.062 6.217 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.701 4.783 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -4.919 5.941 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.575 6.241 -7.924 1.00 0.00 H new ATOM 1243 N ARG A 114 -5.557 5.405 -11.479 1.00 0.00 N ATOM 1244 CA ARG A 114 -6.226 5.011 -12.733 1.00 0.00 C ATOM 1245 C ARG A 114 -6.821 3.600 -12.604 1.00 0.00 C ATOM 1246 O ARG A 114 -6.359 2.807 -11.786 1.00 0.00 O ATOM 1247 CB ARG A 114 -5.227 4.986 -13.913 1.00 0.00 C ATOM 1248 CG ARG A 114 -4.517 6.303 -14.278 1.00 0.00 C ATOM 1249 CD ARG A 114 -3.390 6.756 -13.337 1.00 0.00 C ATOM 1250 NE ARG A 114 -2.444 5.674 -13.009 1.00 0.00 N ATOM 1251 CZ ARG A 114 -1.406 5.248 -13.715 1.00 0.00 C ATOM 1252 NH1 ARG A 114 -1.039 5.816 -14.845 1.00 0.00 N ATOM 1253 NH2 ARG A 114 -0.720 4.215 -13.279 1.00 0.00 N1+ ATOM 0 H ARG A 114 -4.761 4.803 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 114 -7.010 5.745 -12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -4.461 4.243 -13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.761 4.637 -14.797 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.104 6.201 -15.282 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.266 7.094 -14.320 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -2.846 7.579 -13.801 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.826 7.141 -12.416 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.609 5.191 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.560 6.615 -15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -0.234 5.457 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.989 3.754 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.081 3.874 -13.810 1.00 0.00 H new ATOM 1267 N ARG A 115 -7.749 3.219 -13.491 1.00 0.00 N ATOM 1268 CA ARG A 115 -8.266 1.833 -13.589 1.00 0.00 C ATOM 1269 C ARG A 115 -7.162 0.777 -13.812 1.00 0.00 C ATOM 1270 O ARG A 115 -7.319 -0.372 -13.402 1.00 0.00 O ATOM 1271 CB ARG A 115 -9.340 1.749 -14.687 1.00 0.00 C ATOM 1272 CG ARG A 115 -10.622 2.483 -14.263 1.00 0.00 C ATOM 1273 CD ARG A 115 -11.733 2.392 -15.320 1.00 0.00 C ATOM 1274 NE ARG A 115 -11.424 3.195 -16.520 1.00 0.00 N ATOM 1275 CZ ARG A 115 -11.480 4.519 -16.611 1.00 0.00 C ATOM 1276 NH1 ARG A 115 -11.877 5.267 -15.607 1.00 0.00 N1+ ATOM 1277 NH2 ARG A 115 -11.117 5.131 -17.714 1.00 0.00 N ATOM 0 H ARG A 115 -8.168 3.859 -14.166 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.712 1.594 -12.623 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.956 2.184 -15.610 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.568 0.704 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -10.983 2.062 -13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.390 3.531 -14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.875 1.350 -15.608 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.673 2.734 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.141 2.685 -17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.153 4.833 -14.726 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.909 6.281 -15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.788 4.589 -18.513 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.164 6.148 -17.772 1.00 0.00 H new ATOM 1291 N ASN A 116 -6.020 1.174 -14.387 1.00 0.00 N ATOM 1292 CA ASN A 116 -4.812 0.347 -14.512 1.00 0.00 C ATOM 1293 C ASN A 116 -4.148 -0.014 -13.157 1.00 0.00 C ATOM 1294 O ASN A 116 -3.472 -1.039 -13.068 1.00 0.00 O ATOM 1295 CB ASN A 116 -3.828 1.105 -15.421 1.00 0.00 C ATOM 1296 CG ASN A 116 -2.563 0.306 -15.727 1.00 0.00 C ATOM 1297 OD1 ASN A 116 -1.484 0.602 -15.230 1.00 0.00 O ATOM 1298 ND2 ASN A 116 -2.658 -0.724 -16.551 1.00 0.00 N ATOM 0 H ASN A 116 -5.907 2.105 -14.789 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.098 -0.613 -14.941 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.327 1.358 -16.357 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -3.551 2.045 -14.944 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -1.830 -1.276 -16.775 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -3.559 -0.967 -16.962 1.00 0.00 H new ATOM 1305 N ASP A 117 -4.339 0.792 -12.103 1.00 0.00 N ATOM 1306 CA ASP A 117 -3.755 0.557 -10.773 1.00 0.00 C ATOM 1307 C ASP A 117 -4.566 -0.453 -9.939 1.00 0.00 C ATOM 1308 O ASP A 117 -3.991 -1.142 -9.099 1.00 0.00 O ATOM 1309 CB ASP A 117 -3.624 1.883 -10.003 1.00 0.00 C ATOM 1310 CG ASP A 117 -2.726 2.914 -10.701 1.00 0.00 C ATOM 1311 OD1 ASP A 117 -1.600 2.573 -11.132 1.00 0.00 O ATOM 1312 OD2 ASP A 117 -3.152 4.083 -10.824 1.00 0.00 O1- ATOM 0 H ASP A 117 -4.910 1.636 -12.150 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.767 0.126 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.616 2.313 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -3.224 1.679 -9.010 1.00 0.00 H new ATOM 1317 N SER A 118 -5.876 -0.586 -10.184 1.00 0.00 N ATOM 1318 CA SER A 118 -6.755 -1.553 -9.503 1.00 0.00 C ATOM 1319 C SER A 118 -6.161 -2.975 -9.483 1.00 0.00 C ATOM 1320 O SER A 118 -5.680 -3.468 -10.510 1.00 0.00 O ATOM 1321 CB SER A 118 -8.128 -1.611 -10.188 1.00 0.00 C ATOM 1322 OG SER A 118 -8.775 -0.344 -10.230 1.00 0.00 O ATOM 0 H SER A 118 -6.366 -0.016 -10.873 1.00 0.00 H new ATOM 0 HA SER A 118 -6.856 -1.204 -8.475 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.007 -1.986 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.763 -2.322 -9.659 1.00 0.00 H new ATOM 0 HG SER A 118 -9.643 -0.434 -10.677 1.00 0.00 H new ATOM 1328 N GLY A 119 -6.179 -3.641 -8.324 1.00 0.00 N ATOM 1329 CA GLY A 119 -5.517 -4.935 -8.114 1.00 0.00 C ATOM 1330 C GLY A 119 -5.062 -5.151 -6.672 1.00 0.00 C ATOM 1331 O GLY A 119 -5.555 -4.490 -5.756 1.00 0.00 O ATOM 0 H GLY A 119 -6.659 -3.293 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.201 -5.736 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.653 -5.006 -8.775 1.00 0.00 H new ATOM 1335 N THR A 120 -4.146 -6.102 -6.471 1.00 0.00 N ATOM 1336 CA THR A 120 -3.685 -6.575 -5.154 1.00 0.00 C ATOM 1337 C THR A 120 -2.400 -5.865 -4.740 1.00 0.00 C ATOM 1338 O THR A 120 -1.511 -5.669 -5.564 1.00 0.00 O ATOM 1339 CB THR A 120 -3.424 -8.082 -5.197 1.00 0.00 C ATOM 1340 OG1 THR A 120 -4.409 -8.753 -5.958 1.00 0.00 O ATOM 1341 CG2 THR A 120 -3.397 -8.705 -3.809 1.00 0.00 C ATOM 0 H THR A 120 -3.687 -6.583 -7.244 1.00 0.00 H new ATOM 0 HA THR A 120 -4.467 -6.353 -4.428 1.00 0.00 H new ATOM 0 HB THR A 120 -2.444 -8.198 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.216 -9.714 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 120 -3.209 -9.775 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.606 -8.243 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 120 -4.357 -8.544 -3.319 1.00 0.00 H new ATOM 1349 N TYR A 121 -2.282 -5.528 -3.458 1.00 0.00 N ATOM 1350 CA TYR A 121 -1.158 -4.790 -2.867 1.00 0.00 C ATOM 1351 C TYR A 121 -0.655 -5.419 -1.550 1.00 0.00 C ATOM 1352 O TYR A 121 -1.412 -6.084 -0.832 1.00 0.00 O ATOM 1353 CB TYR A 121 -1.592 -3.334 -2.604 1.00 0.00 C ATOM 1354 CG TYR A 121 -1.681 -2.435 -3.826 1.00 0.00 C ATOM 1355 CD1 TYR A 121 -2.749 -2.557 -4.739 1.00 0.00 C ATOM 1356 CD2 TYR A 121 -0.709 -1.435 -4.030 1.00 0.00 C ATOM 1357 CE1 TYR A 121 -2.822 -1.716 -5.865 1.00 0.00 C ATOM 1358 CE2 TYR A 121 -0.810 -0.552 -5.120 1.00 0.00 C ATOM 1359 CZ TYR A 121 -1.860 -0.698 -6.051 1.00 0.00 C ATOM 1360 OH TYR A 121 -1.936 0.139 -7.119 1.00 0.00 O ATOM 0 H TYR A 121 -2.995 -5.770 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 121 -0.333 -4.829 -3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.567 -3.349 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.890 -2.888 -1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -3.515 -3.300 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.120 -1.346 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -3.614 -1.849 -6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -0.084 0.238 -5.244 1.00 0.00 H new ATOM 0 HH TYR A 121 -2.583 -0.213 -7.765 1.00 0.00 H new ATOM 1370 N LEU A 122 0.612 -5.153 -1.199 1.00 0.00 N ATOM 1371 CA LEU A 122 1.240 -5.541 0.073 1.00 0.00 C ATOM 1372 C LEU A 122 2.418 -4.630 0.454 1.00 0.00 C ATOM 1373 O LEU A 122 3.065 -4.032 -0.403 1.00 0.00 O ATOM 1374 CB LEU A 122 1.671 -7.026 0.068 1.00 0.00 C ATOM 1375 CG LEU A 122 2.802 -7.390 -0.924 1.00 0.00 C ATOM 1376 CD1 LEU A 122 3.658 -8.525 -0.347 1.00 0.00 C ATOM 1377 CD2 LEU A 122 2.256 -7.799 -2.301 1.00 0.00 C ATOM 0 H LEU A 122 1.249 -4.645 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 122 0.476 -5.413 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.993 -7.296 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.799 -7.638 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 122 3.413 -6.498 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.452 -8.776 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.098 -8.205 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.033 -9.402 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.086 -8.045 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.608 -8.669 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.686 -6.973 -2.726 1.00 0.00 H new ATOM 1389 N CYS A 123 2.722 -4.574 1.751 1.00 0.00 N ATOM 1390 CA CYS A 123 3.847 -3.843 2.351 1.00 0.00 C ATOM 1391 C CYS A 123 4.774 -4.827 3.095 1.00 0.00 C ATOM 1392 O CYS A 123 4.300 -5.753 3.754 1.00 0.00 O ATOM 1393 CB CYS A 123 3.255 -2.739 3.249 1.00 0.00 C ATOM 1394 SG CYS A 123 4.192 -2.212 4.709 1.00 0.00 S ATOM 0 H CYS A 123 2.163 -5.062 2.451 1.00 0.00 H new ATOM 0 HA CYS A 123 4.475 -3.364 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 123 3.090 -1.860 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 123 2.276 -3.078 3.588 1.00 0.00 H new ATOM 1399 N GLY A 124 6.097 -4.676 2.954 1.00 0.00 N ATOM 1400 CA GLY A 124 7.094 -5.636 3.452 1.00 0.00 C ATOM 1401 C GLY A 124 8.345 -4.974 4.021 1.00 0.00 C ATOM 1402 O GLY A 124 8.934 -4.102 3.382 1.00 0.00 O ATOM 0 H GLY A 124 6.512 -3.872 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.637 -6.255 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.383 -6.302 2.639 1.00 0.00 H new ATOM 1406 N ALA A 125 8.777 -5.408 5.206 1.00 0.00 N ATOM 1407 CA ALA A 125 10.016 -4.951 5.846 1.00 0.00 C ATOM 1408 C ALA A 125 11.231 -5.798 5.422 1.00 0.00 C ATOM 1409 O ALA A 125 11.084 -6.961 5.053 1.00 0.00 O ATOM 1410 CB ALA A 125 9.816 -4.969 7.369 1.00 0.00 C ATOM 0 H ALA A 125 8.269 -6.098 5.759 1.00 0.00 H new ATOM 0 HA ALA A 125 10.233 -3.934 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.729 -4.632 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.994 -4.305 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.583 -5.983 7.693 1.00 0.00 H new ATOM 1416 N ILE A 126 12.440 -5.238 5.515 1.00 0.00 N ATOM 1417 CA ILE A 126 13.715 -5.939 5.275 1.00 0.00 C ATOM 1418 C ILE A 126 14.854 -5.262 6.053 1.00 0.00 C ATOM 1419 O ILE A 126 14.962 -4.036 6.059 1.00 0.00 O ATOM 1420 CB ILE A 126 13.995 -6.045 3.752 1.00 0.00 C ATOM 1421 CG1 ILE A 126 15.121 -7.058 3.472 1.00 0.00 C ATOM 1422 CG2 ILE A 126 14.325 -4.685 3.113 1.00 0.00 C ATOM 1423 CD1 ILE A 126 15.310 -7.376 1.985 1.00 0.00 C ATOM 0 H ILE A 126 12.568 -4.258 5.766 1.00 0.00 H new ATOM 0 HA ILE A 126 13.646 -6.960 5.651 1.00 0.00 H new ATOM 0 HB ILE A 126 13.074 -6.400 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 126 16.057 -6.667 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 126 14.907 -7.983 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 126 14.512 -4.819 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 126 13.485 -4.005 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 126 15.213 -4.266 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 126 16.120 -8.096 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 126 14.389 -7.797 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 126 15.556 -6.461 1.446 1.00 0.00 H new ATOM 1435 N SER A 127 15.689 -6.037 6.740 1.00 0.00 N ATOM 1436 CA SER A 127 16.844 -5.542 7.505 1.00 0.00 C ATOM 1437 C SER A 127 18.051 -5.182 6.615 1.00 0.00 C ATOM 1438 O SER A 127 18.151 -5.605 5.459 1.00 0.00 O ATOM 1439 CB SER A 127 17.232 -6.552 8.596 1.00 0.00 C ATOM 1440 OG SER A 127 17.550 -7.824 8.048 1.00 0.00 O ATOM 0 H SER A 127 15.584 -7.051 6.785 1.00 0.00 H new ATOM 0 HA SER A 127 16.537 -4.610 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 127 18.088 -6.173 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 127 16.410 -6.656 9.304 1.00 0.00 H new ATOM 0 HG SER A 127 17.793 -8.440 8.770 1.00 0.00 H new ATOM 1446 N LEU A 128 18.988 -4.386 7.148 1.00 0.00 N ATOM 1447 CA LEU A 128 20.216 -3.976 6.442 1.00 0.00 C ATOM 1448 C LEU A 128 21.255 -5.101 6.214 1.00 0.00 C ATOM 1449 O LEU A 128 22.302 -4.855 5.610 1.00 0.00 O ATOM 1450 CB LEU A 128 20.812 -2.726 7.117 1.00 0.00 C ATOM 1451 CG LEU A 128 21.098 -2.772 8.633 1.00 0.00 C ATOM 1452 CD1 LEU A 128 21.967 -3.951 9.091 1.00 0.00 C ATOM 1453 CD2 LEU A 128 21.797 -1.459 8.999 1.00 0.00 C ATOM 0 H LEU A 128 18.917 -4.003 8.091 1.00 0.00 H new ATOM 0 HA LEU A 128 19.918 -3.721 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.748 -2.490 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 128 20.132 -1.894 6.933 1.00 0.00 H new ATOM 0 HG LEU A 128 20.143 -2.907 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 128 22.113 -3.898 10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 128 21.472 -4.888 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 128 22.935 -3.905 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 128 22.018 -1.450 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 128 22.726 -1.372 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 128 21.145 -0.620 8.756 1.00 0.00 H new ATOM 1465 N ALA A 129 21.002 -6.324 6.694 1.00 0.00 N ATOM 1466 CA ALA A 129 21.927 -7.455 6.599 1.00 0.00 C ATOM 1467 C ALA A 129 22.020 -8.027 5.160 1.00 0.00 C ATOM 1468 O ALA A 129 20.994 -8.086 4.472 1.00 0.00 O ATOM 1469 CB ALA A 129 21.473 -8.528 7.600 1.00 0.00 C ATOM 0 H ALA A 129 20.130 -6.558 7.169 1.00 0.00 H new ATOM 0 HA ALA A 129 22.933 -7.113 6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 129 22.148 -9.383 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 129 21.488 -8.114 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 129 20.461 -8.849 7.355 1.00 0.00 H new ATOM 1475 N PRO A 130 23.197 -8.521 4.710 1.00 0.00 N ATOM 1476 CA PRO A 130 23.343 -9.218 3.427 1.00 0.00 C ATOM 1477 C PRO A 130 22.422 -10.440 3.272 1.00 0.00 C ATOM 1478 O PRO A 130 22.006 -10.762 2.161 1.00 0.00 O ATOM 1479 CB PRO A 130 24.813 -9.648 3.356 1.00 0.00 C ATOM 1480 CG PRO A 130 25.527 -8.648 4.260 1.00 0.00 C ATOM 1481 CD PRO A 130 24.497 -8.388 5.356 1.00 0.00 C ATOM 0 HA PRO A 130 23.053 -8.549 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 130 24.948 -10.671 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 130 25.193 -9.607 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 130 26.453 -9.057 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 130 25.789 -7.735 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.604 -9.102 6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 130 24.622 -7.393 5.784 1.00 0.00 H new ATOM 1489 N LYS A 131 22.092 -11.110 4.384 1.00 0.00 N ATOM 1490 CA LYS A 131 21.254 -12.319 4.427 1.00 0.00 C ATOM 1491 C LYS A 131 19.738 -12.032 4.563 1.00 0.00 C ATOM 1492 O LYS A 131 18.948 -12.965 4.739 1.00 0.00 O ATOM 1493 CB LYS A 131 21.767 -13.222 5.571 1.00 0.00 C ATOM 1494 CG LYS A 131 23.213 -13.706 5.347 1.00 0.00 C ATOM 1495 CD LYS A 131 23.731 -14.601 6.483 1.00 0.00 C ATOM 1496 CE LYS A 131 22.965 -15.930 6.575 1.00 0.00 C ATOM 1497 NZ LYS A 131 23.523 -16.815 7.631 1.00 0.00 N1+ ATOM 0 H LYS A 131 22.410 -10.818 5.308 1.00 0.00 H new ATOM 0 HA LYS A 131 21.347 -12.827 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 131 21.714 -12.674 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 131 21.110 -14.086 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 131 23.264 -14.256 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 131 23.868 -12.841 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 131 24.790 -14.805 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.645 -14.068 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.914 -15.730 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 131 23.006 -16.441 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.981 -17.702 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 24.519 -17.026 7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.461 -16.337 8.553 1.00 0.00 H new ATOM 1511 N ALA A 132 19.317 -10.760 4.525 1.00 0.00 N ATOM 1512 CA ALA A 132 17.926 -10.340 4.730 1.00 0.00 C ATOM 1513 C ALA A 132 16.956 -10.833 3.632 1.00 0.00 C ATOM 1514 O ALA A 132 17.364 -11.199 2.526 1.00 0.00 O ATOM 1515 CB ALA A 132 17.892 -8.813 4.870 1.00 0.00 C ATOM 0 H ALA A 132 19.948 -9.979 4.347 1.00 0.00 H new ATOM 0 HA ALA A 132 17.566 -10.811 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 132 16.864 -8.484 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 132 18.500 -8.512 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 132 18.288 -8.356 3.963 1.00 0.00 H new ATOM 1521 N GLN A 133 15.657 -10.807 3.940 1.00 0.00 N ATOM 1522 CA GLN A 133 14.558 -11.245 3.073 1.00 0.00 C ATOM 1523 C GLN A 133 13.294 -10.430 3.407 1.00 0.00 C ATOM 1524 O GLN A 133 13.129 -9.973 4.540 1.00 0.00 O ATOM 1525 CB GLN A 133 14.350 -12.760 3.276 1.00 0.00 C ATOM 1526 CG GLN A 133 13.301 -13.383 2.340 1.00 0.00 C ATOM 1527 CD GLN A 133 13.231 -14.904 2.498 1.00 0.00 C ATOM 1528 OE1 GLN A 133 12.374 -15.451 3.185 1.00 0.00 O ATOM 1529 NE2 GLN A 133 14.129 -15.652 1.887 1.00 0.00 N ATOM 0 H GLN A 133 15.326 -10.464 4.842 1.00 0.00 H new ATOM 0 HA GLN A 133 14.789 -11.072 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 133 15.302 -13.269 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 133 14.051 -12.939 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 133 12.323 -12.950 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 133 13.543 -13.136 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 133 14.849 -15.216 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.103 -16.666 1.990 1.00 0.00 H new ATOM 1538 N ILE A 134 12.403 -10.229 2.428 1.00 0.00 N ATOM 1539 CA ILE A 134 11.177 -9.425 2.590 1.00 0.00 C ATOM 1540 C ILE A 134 10.187 -10.138 3.527 1.00 0.00 C ATOM 1541 O ILE A 134 9.742 -11.257 3.257 1.00 0.00 O ATOM 1542 CB ILE A 134 10.524 -9.108 1.220 1.00 0.00 C ATOM 1543 CG1 ILE A 134 11.498 -8.385 0.256 1.00 0.00 C ATOM 1544 CG2 ILE A 134 9.262 -8.239 1.423 1.00 0.00 C ATOM 1545 CD1 ILE A 134 11.045 -8.432 -1.210 1.00 0.00 C ATOM 0 H ILE A 134 12.510 -10.621 1.493 1.00 0.00 H new ATOM 0 HA ILE A 134 11.453 -8.474 3.045 1.00 0.00 H new ATOM 0 HB ILE A 134 10.254 -10.061 0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 134 11.599 -7.345 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 134 12.485 -8.840 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 134 8.810 -8.022 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 134 8.546 -8.777 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 134 9.538 -7.305 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 134 11.771 -7.908 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 134 10.971 -9.470 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 134 10.071 -7.952 -1.305 1.00 0.00 H new ATOM 1557 N LYS A 135 9.795 -9.467 4.611 1.00 0.00 N ATOM 1558 CA LYS A 135 8.795 -9.937 5.571 1.00 0.00 C ATOM 1559 C LYS A 135 7.373 -9.669 5.033 1.00 0.00 C ATOM 1560 O LYS A 135 6.789 -8.611 5.275 1.00 0.00 O ATOM 1561 CB LYS A 135 9.104 -9.262 6.923 1.00 0.00 C ATOM 1562 CG LYS A 135 8.324 -9.881 8.095 1.00 0.00 C ATOM 1563 CD LYS A 135 8.659 -9.215 9.443 1.00 0.00 C ATOM 1564 CE LYS A 135 10.138 -9.296 9.865 1.00 0.00 C ATOM 1565 NZ LYS A 135 10.588 -10.692 10.123 1.00 0.00 N1+ ATOM 0 H LYS A 135 10.177 -8.553 4.853 1.00 0.00 H new ATOM 0 HA LYS A 135 8.838 -11.016 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 135 10.173 -9.337 7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 135 8.866 -8.200 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 135 7.255 -9.790 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 135 8.548 -10.946 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 135 8.369 -8.165 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 135 8.050 -9.678 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 135 10.759 -8.857 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 135 10.288 -8.699 10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 11.590 -10.688 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 10.016 -11.105 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 10.473 -11.259 9.259 1.00 0.00 H new ATOM 1579 N GLU A 136 6.839 -10.625 4.272 1.00 0.00 N ATOM 1580 CA GLU A 136 5.512 -10.574 3.642 1.00 0.00 C ATOM 1581 C GLU A 136 4.367 -10.846 4.635 1.00 0.00 C ATOM 1582 O GLU A 136 4.558 -11.491 5.668 1.00 0.00 O ATOM 1583 CB GLU A 136 5.425 -11.609 2.507 1.00 0.00 C ATOM 1584 CG GLU A 136 6.269 -11.255 1.277 1.00 0.00 C ATOM 1585 CD GLU A 136 6.083 -12.309 0.174 1.00 0.00 C ATOM 1586 OE1 GLU A 136 4.919 -12.597 -0.193 1.00 0.00 O1- ATOM 1587 OE2 GLU A 136 7.094 -12.851 -0.332 1.00 0.00 O ATOM 0 H GLU A 136 7.336 -11.492 4.067 1.00 0.00 H new ATOM 0 HA GLU A 136 5.394 -9.561 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.745 -12.579 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.384 -11.713 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.981 -10.273 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.321 -11.194 1.556 1.00 0.00 H new ATOM 1594 N SER A 137 3.152 -10.406 4.292 1.00 0.00 N ATOM 1595 CA SER A 137 1.917 -10.763 5.012 1.00 0.00 C ATOM 1596 C SER A 137 0.680 -10.844 4.087 1.00 0.00 C ATOM 1597 O SER A 137 0.802 -10.828 2.856 1.00 0.00 O ATOM 1598 CB SER A 137 1.712 -9.779 6.170 1.00 0.00 C ATOM 1599 OG SER A 137 0.799 -10.293 7.131 1.00 0.00 O ATOM 0 H SER A 137 2.993 -9.785 3.499 1.00 0.00 H new ATOM 0 HA SER A 137 2.032 -11.770 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.669 -9.573 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.339 -8.831 5.782 1.00 0.00 H new ATOM 0 HG SER A 137 0.690 -9.645 7.858 1.00 0.00 H new ATOM 1605 N LEU A 138 -0.518 -10.963 4.675 1.00 0.00 N ATOM 1606 CA LEU A 138 -1.805 -11.107 3.987 1.00 0.00 C ATOM 1607 C LEU A 138 -2.193 -9.811 3.254 1.00 0.00 C ATOM 1608 O LEU A 138 -2.213 -8.731 3.844 1.00 0.00 O ATOM 1609 CB LEU A 138 -2.889 -11.527 5.001 1.00 0.00 C ATOM 1610 CG LEU A 138 -2.638 -12.868 5.725 1.00 0.00 C ATOM 1611 CD1 LEU A 138 -3.769 -13.120 6.733 1.00 0.00 C ATOM 1612 CD2 LEU A 138 -2.549 -14.054 4.751 1.00 0.00 C ATOM 0 H LEU A 138 -0.619 -10.961 5.690 1.00 0.00 H new ATOM 0 HA LEU A 138 -1.715 -11.886 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -2.984 -10.742 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -3.845 -11.588 4.480 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.677 -12.791 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.595 -14.066 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.793 -12.311 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.723 -13.163 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -2.372 -14.972 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -3.484 -14.141 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.728 -13.891 4.053 1.00 0.00 H new ATOM 1624 N ARG A 139 -2.511 -9.941 1.963 1.00 0.00 N ATOM 1625 CA ARG A 139 -2.690 -8.845 0.996 1.00 0.00 C ATOM 1626 C ARG A 139 -3.926 -7.954 1.237 1.00 0.00 C ATOM 1627 O ARG A 139 -4.911 -8.367 1.853 1.00 0.00 O ATOM 1628 CB ARG A 139 -2.774 -9.453 -0.416 1.00 0.00 C ATOM 1629 CG ARG A 139 -1.431 -9.785 -1.089 1.00 0.00 C ATOM 1630 CD ARG A 139 -0.493 -10.712 -0.308 1.00 0.00 C ATOM 1631 NE ARG A 139 0.604 -11.169 -1.176 1.00 0.00 N ATOM 1632 CZ ARG A 139 1.765 -11.685 -0.795 1.00 0.00 C ATOM 1633 NH1 ARG A 139 2.103 -11.864 0.462 1.00 0.00 N1+ ATOM 1634 NH2 ARG A 139 2.655 -12.029 -1.694 1.00 0.00 N ATOM 0 H ARG A 139 -2.659 -10.857 1.539 1.00 0.00 H new ATOM 0 HA ARG A 139 -1.830 -8.187 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -3.366 -10.367 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -3.317 -8.759 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -1.637 -10.242 -2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -0.905 -8.850 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -0.088 -10.187 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -1.049 -11.570 0.071 1.00 0.00 H new ATOM 0 HE ARG A 139 0.455 -11.079 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 139 1.457 -11.601 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 139 3.011 -12.266 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 139 2.454 -11.900 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 139 3.548 -12.426 -1.402 1.00 0.00 H new ATOM 1648 N ALA A 140 -3.878 -6.747 0.665 1.00 0.00 N ATOM 1649 CA ALA A 140 -4.980 -5.784 0.525 1.00 0.00 C ATOM 1650 C ALA A 140 -5.317 -5.555 -0.966 1.00 0.00 C ATOM 1651 O ALA A 140 -4.579 -6.003 -1.843 1.00 0.00 O ATOM 1652 CB ALA A 140 -4.572 -4.477 1.219 1.00 0.00 C ATOM 0 H ALA A 140 -3.012 -6.391 0.260 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.882 -6.174 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.378 -3.749 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.378 -4.670 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -3.670 -4.082 0.751 1.00 0.00 H new ATOM 1658 N GLU A 141 -6.426 -4.874 -1.267 1.00 0.00 N ATOM 1659 CA GLU A 141 -6.910 -4.629 -2.634 1.00 0.00 C ATOM 1660 C GLU A 141 -7.263 -3.151 -2.873 1.00 0.00 C ATOM 1661 O GLU A 141 -7.809 -2.482 -1.996 1.00 0.00 O ATOM 1662 CB GLU A 141 -8.149 -5.495 -2.920 1.00 0.00 C ATOM 1663 CG GLU A 141 -7.882 -6.999 -2.777 1.00 0.00 C ATOM 1664 CD GLU A 141 -9.087 -7.821 -3.260 1.00 0.00 C ATOM 1665 OE1 GLU A 141 -9.185 -8.101 -4.477 1.00 0.00 O1- ATOM 1666 OE2 GLU A 141 -9.939 -8.208 -2.424 1.00 0.00 O ATOM 0 H GLU A 141 -7.029 -4.467 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.098 -4.895 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -8.950 -5.208 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -8.502 -5.290 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.997 -7.271 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.669 -7.237 -1.735 1.00 0.00 H new ATOM 1673 N LEU A 142 -6.995 -2.661 -4.088 1.00 0.00 N ATOM 1674 CA LEU A 142 -7.395 -1.347 -4.604 1.00 0.00 C ATOM 1675 C LEU A 142 -8.414 -1.511 -5.737 1.00 0.00 C ATOM 1676 O LEU A 142 -8.211 -2.323 -6.644 1.00 0.00 O ATOM 1677 CB LEU A 142 -6.142 -0.617 -5.135 1.00 0.00 C ATOM 1678 CG LEU A 142 -6.392 0.795 -5.710 1.00 0.00 C ATOM 1679 CD1 LEU A 142 -6.934 1.768 -4.655 1.00 0.00 C ATOM 1680 CD2 LEU A 142 -5.089 1.349 -6.299 1.00 0.00 C ATOM 0 H LEU A 142 -6.465 -3.198 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 142 -7.854 -0.767 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.418 -0.538 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -5.686 -1.231 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.150 0.701 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -7.093 2.746 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.879 1.392 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -6.215 1.859 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -5.267 2.345 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -4.331 1.406 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -4.741 0.691 -7.095 1.00 0.00 H new ATOM 1692 N ARG A 143 -9.447 -0.669 -5.727 1.00 0.00 N ATOM 1693 CA ARG A 143 -10.419 -0.498 -6.806 1.00 0.00 C ATOM 1694 C ARG A 143 -10.534 0.987 -7.173 1.00 0.00 C ATOM 1695 O ARG A 143 -10.926 1.814 -6.348 1.00 0.00 O ATOM 1696 CB ARG A 143 -11.767 -1.075 -6.342 1.00 0.00 C ATOM 1697 CG ARG A 143 -12.842 -1.032 -7.438 1.00 0.00 C ATOM 1698 CD ARG A 143 -14.180 -1.572 -6.922 1.00 0.00 C ATOM 1699 NE ARG A 143 -15.208 -1.526 -7.976 1.00 0.00 N ATOM 1700 CZ ARG A 143 -16.524 -1.594 -7.803 1.00 0.00 C ATOM 1701 NH1 ARG A 143 -17.069 -1.735 -6.611 1.00 0.00 N1+ ATOM 1702 NH2 ARG A 143 -17.323 -1.519 -8.845 1.00 0.00 N ATOM 0 H ARG A 143 -9.637 -0.060 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.098 -1.030 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -11.624 -2.107 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -12.117 -0.516 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.970 -0.007 -7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.515 -1.621 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -14.054 -2.598 -6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -14.507 -0.985 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 143 -14.876 -1.432 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -16.476 -1.796 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -18.083 -1.783 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -16.932 -1.409 -9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -18.334 -1.571 -8.717 1.00 0.00 H new ATOM 1716 N VAL A 144 -10.218 1.321 -8.419 1.00 0.00 N ATOM 1717 CA VAL A 144 -10.476 2.635 -9.023 1.00 0.00 C ATOM 1718 C VAL A 144 -11.727 2.521 -9.903 1.00 0.00 C ATOM 1719 O VAL A 144 -11.744 1.734 -10.851 1.00 0.00 O ATOM 1720 CB VAL A 144 -9.271 3.150 -9.836 1.00 0.00 C ATOM 1721 CG1 VAL A 144 -9.543 4.570 -10.354 1.00 0.00 C ATOM 1722 CG2 VAL A 144 -7.988 3.164 -8.988 1.00 0.00 C ATOM 0 H VAL A 144 -9.762 0.671 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 144 -10.639 3.365 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 144 -9.130 2.470 -10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -8.683 4.920 -10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.425 4.561 -10.994 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -9.714 5.239 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.158 3.532 -9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.128 3.817 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.767 2.153 -8.645 1.00 0.00 H new ATOM 1732 N THR A 145 -12.771 3.286 -9.573 1.00 0.00 N ATOM 1733 CA THR A 145 -14.053 3.346 -10.293 1.00 0.00 C ATOM 1734 C THR A 145 -14.082 4.535 -11.249 1.00 0.00 C ATOM 1735 O THR A 145 -13.326 5.495 -11.095 1.00 0.00 O ATOM 1736 CB THR A 145 -15.230 3.406 -9.305 1.00 0.00 C ATOM 1737 OG1 THR A 145 -15.104 4.536 -8.471 1.00 0.00 O ATOM 1738 CG2 THR A 145 -15.290 2.155 -8.425 1.00 0.00 C ATOM 0 H THR A 145 -12.749 3.907 -8.764 1.00 0.00 H new ATOM 0 HA THR A 145 -14.155 2.436 -10.884 1.00 0.00 H new ATOM 0 HB THR A 145 -16.146 3.468 -9.893 1.00 0.00 H new ATOM 0 HG1 THR A 145 -15.858 4.567 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 145 -16.134 2.233 -7.739 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.413 1.273 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 145 -14.366 2.067 -7.854 1.00 0.00 H new ATOM 1746 N GLU A 146 -14.941 4.468 -12.265 1.00 0.00 N ATOM 1747 CA GLU A 146 -15.096 5.507 -13.286 1.00 0.00 C ATOM 1748 C GLU A 146 -15.568 6.846 -12.691 1.00 0.00 C ATOM 1749 O GLU A 146 -16.278 6.893 -11.681 1.00 0.00 O ATOM 1750 CB GLU A 146 -16.086 5.056 -14.378 1.00 0.00 C ATOM 1751 CG GLU A 146 -15.617 3.863 -15.229 1.00 0.00 C ATOM 1752 CD GLU A 146 -15.688 2.482 -14.546 1.00 0.00 C ATOM 1753 OE1 GLU A 146 -16.304 2.339 -13.463 1.00 0.00 O ATOM 1754 OE2 GLU A 146 -15.119 1.517 -15.109 1.00 0.00 O1- ATOM 0 H GLU A 146 -15.563 3.672 -12.406 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.110 5.661 -13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -17.032 4.795 -13.904 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -16.283 5.900 -15.040 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -16.219 3.830 -16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -14.587 4.043 -15.536 1.00 0.00 H new ATOM 1761 N ARG A 147 -15.192 7.947 -13.349 1.00 0.00 N ATOM 1762 CA ARG A 147 -15.491 9.311 -12.906 1.00 0.00 C ATOM 1763 C ARG A 147 -16.982 9.614 -13.085 1.00 0.00 C ATOM 1764 O ARG A 147 -17.500 9.596 -14.207 1.00 0.00 O ATOM 1765 CB ARG A 147 -14.587 10.305 -13.648 1.00 0.00 C ATOM 1766 CG ARG A 147 -14.686 11.718 -13.048 1.00 0.00 C ATOM 1767 CD ARG A 147 -13.671 12.688 -13.668 1.00 0.00 C ATOM 1768 NE ARG A 147 -12.286 12.293 -13.351 1.00 0.00 N ATOM 1769 CZ ARG A 147 -11.426 11.667 -14.147 1.00 0.00 C ATOM 1770 NH1 ARG A 147 -11.660 11.423 -15.419 1.00 0.00 N ATOM 1771 NH2 ARG A 147 -10.298 11.229 -13.649 1.00 0.00 N1+ ATOM 0 H ARG A 147 -14.662 7.914 -14.220 1.00 0.00 H new ATOM 0 HA ARG A 147 -15.279 9.412 -11.842 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -13.554 9.962 -13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -14.867 10.336 -14.701 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -15.694 12.105 -13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -14.524 11.665 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -13.805 12.715 -14.749 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -13.857 13.697 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 147 -11.951 12.526 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -12.540 11.719 -15.842 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -10.962 10.938 -15.982 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -10.088 11.370 -12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -9.629 10.747 -14.249 1.00 0.00 H new