USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot 148:sc= 1.21 USER MOD Set 1.2: A 41 ASN :FLIP amide:sc= 1.02 F(o=0.094,f=2.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 5 ASN : amide:sc= -1.85! C(o=-1.9!,f=-4.8!) USER MOD Single : A 14 ASN : amide:sc= -0.75 X(o=-0.75,f=-0.48) USER MOD Single : A 16 HIS : no HD1:sc= 0.789 K(o=0.79,f=-4.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.652 F(o=-2.3,f=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00374 (180deg=-0.112) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.8 F(o=-3.7!,f=-1.8) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.389 (180deg=-0.0568) USER MOD Single : A 52 THR OG1 : rot -118:sc= 0.167 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0772 (180deg=-0.453) USER MOD Single : A 56 HIS : no HD1:sc= 0.802 K(o=0.8,f=-3.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.216 F(o=-1.4!,f=-0.22) USER MOD Single : A 75 MET CE :methyl 155:sc= -0.929 (180deg=-2!) USER MOD Single : A 78 LYS NZ :NH3+ 132:sc= 0.057 (180deg=-0.408) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00283) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.0149 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -5.011 16.214 1.723 1.00 0.00 N ATOM 26 CA THR A 3 -4.643 14.849 1.423 1.00 0.00 C ATOM 27 C THR A 3 -5.842 13.956 1.733 1.00 0.00 C ATOM 28 O THR A 3 -6.459 14.090 2.792 1.00 0.00 O ATOM 29 CB THR A 3 -3.387 14.417 2.222 1.00 0.00 C ATOM 30 OG1 THR A 3 -2.947 13.121 1.812 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.643 14.410 3.721 1.00 0.00 C ATOM 0 HA THR A 3 -4.382 14.757 0.369 1.00 0.00 H new ATOM 0 HB THR A 3 -2.609 15.151 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.153 12.867 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.737 14.102 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.927 15.411 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.449 13.712 3.949 1.00 0.00 H new ATOM 39 N ARG A 4 -6.220 13.092 0.797 1.00 0.00 N ATOM 40 CA ARG A 4 -7.439 12.321 0.992 1.00 0.00 C ATOM 41 C ARG A 4 -7.243 11.091 1.843 1.00 0.00 C ATOM 42 O ARG A 4 -6.285 10.336 1.702 1.00 0.00 O ATOM 43 CB ARG A 4 -7.986 11.911 -0.381 1.00 0.00 C ATOM 44 CG ARG A 4 -6.920 11.356 -1.315 1.00 0.00 C ATOM 45 CD ARG A 4 -6.989 12.005 -2.681 1.00 0.00 C ATOM 46 NE ARG A 4 -8.133 11.534 -3.465 1.00 0.00 N ATOM 47 CZ ARG A 4 -8.555 12.115 -4.586 1.00 0.00 C ATOM 48 NH1 ARG A 4 -7.904 13.163 -5.077 1.00 0.00 N ATOM 49 NH2 ARG A 4 -9.609 11.630 -5.230 1.00 0.00 N ATOM 0 H ARG A 4 -5.720 12.912 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.143 12.958 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.765 11.161 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.455 12.776 -0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.933 11.521 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.048 10.278 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.053 13.087 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.068 11.797 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.636 10.712 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.080 13.523 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.228 13.608 -5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.097 10.811 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.932 12.076 -6.089 1.00 0.00 H new ATOM 63 N ASN A 5 -8.168 10.955 2.779 1.00 0.00 N ATOM 64 CA ASN A 5 -8.201 9.846 3.695 1.00 0.00 C ATOM 65 C ASN A 5 -8.781 8.616 3.015 1.00 0.00 C ATOM 66 O ASN A 5 -9.542 8.713 2.047 1.00 0.00 O ATOM 67 CB ASN A 5 -9.051 10.203 4.922 1.00 0.00 C ATOM 68 CG ASN A 5 -8.659 11.521 5.567 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.516 11.960 5.488 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.613 12.160 6.225 1.00 0.00 N ATOM 0 H ASN A 5 -8.924 11.625 2.919 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.181 9.629 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.099 10.249 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.963 9.406 5.660 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.408 13.046 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.553 11.766 6.271 1.00 0.00 H new ATOM 77 N PHE A 6 -8.407 7.470 3.535 1.00 0.00 N ATOM 78 CA PHE A 6 -8.859 6.186 3.050 1.00 0.00 C ATOM 79 C PHE A 6 -9.247 5.334 4.240 1.00 0.00 C ATOM 80 O PHE A 6 -9.078 5.743 5.388 1.00 0.00 O ATOM 81 CB PHE A 6 -7.760 5.483 2.239 1.00 0.00 C ATOM 82 CG PHE A 6 -7.469 6.145 0.926 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.759 7.332 0.882 1.00 0.00 C ATOM 84 CD2 PHE A 6 -7.919 5.591 -0.261 1.00 0.00 C ATOM 85 CE1 PHE A 6 -6.504 7.960 -0.315 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.664 6.214 -1.467 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.957 7.402 -1.491 1.00 0.00 C ATOM 0 H PHE A 6 -7.765 7.403 4.325 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.715 6.332 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.846 5.452 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.058 4.450 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.400 7.772 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.474 4.664 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.951 8.887 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.016 5.774 -2.389 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.760 7.893 -2.432 1.00 0.00 H new ATOM 97 N VAL A 7 -9.755 4.155 3.972 1.00 0.00 N ATOM 98 CA VAL A 7 -10.128 3.234 5.020 1.00 0.00 C ATOM 99 C VAL A 7 -9.598 1.871 4.638 1.00 0.00 C ATOM 100 O VAL A 7 -9.536 1.541 3.454 1.00 0.00 O ATOM 101 CB VAL A 7 -11.657 3.157 5.237 1.00 0.00 C ATOM 102 CG1 VAL A 7 -11.988 2.258 6.419 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.246 4.539 5.457 1.00 0.00 C ATOM 0 H VAL A 7 -9.921 3.808 3.027 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.702 3.586 5.960 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.099 2.731 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.069 2.218 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.608 1.254 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.524 2.657 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.322 4.456 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.791 4.993 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.048 5.162 4.585 1.00 0.00 H new ATOM 113 N LEU A 8 -9.211 1.093 5.619 1.00 0.00 N ATOM 114 CA LEU A 8 -8.631 -0.198 5.334 1.00 0.00 C ATOM 115 C LEU A 8 -9.664 -1.282 5.499 1.00 0.00 C ATOM 116 O LEU A 8 -10.240 -1.447 6.570 1.00 0.00 O ATOM 117 CB LEU A 8 -7.446 -0.518 6.218 1.00 0.00 C ATOM 118 CG LEU A 8 -6.738 -1.800 5.804 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.500 -1.492 4.983 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.423 -2.649 7.010 1.00 0.00 C ATOM 0 H LEU A 8 -9.285 1.326 6.609 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.279 -0.155 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.738 0.311 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.782 -0.610 7.251 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.409 -2.378 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.011 -2.424 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.786 -0.944 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.813 -0.887 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.917 -3.560 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.775 -2.093 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.348 -2.909 7.524 1.00 0.00 H new ATOM 132 N ARG A 9 -9.907 -2.010 4.440 1.00 0.00 N ATOM 133 CA ARG A 9 -10.849 -3.108 4.500 1.00 0.00 C ATOM 134 C ARG A 9 -10.144 -4.393 4.920 1.00 0.00 C ATOM 135 O ARG A 9 -8.931 -4.532 4.769 1.00 0.00 O ATOM 136 CB ARG A 9 -11.581 -3.288 3.167 1.00 0.00 C ATOM 137 CG ARG A 9 -12.215 -2.005 2.651 1.00 0.00 C ATOM 138 CD ARG A 9 -13.278 -2.279 1.600 1.00 0.00 C ATOM 139 NE ARG A 9 -14.513 -2.789 2.194 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.599 -3.136 1.499 1.00 0.00 C ATOM 141 NH1 ARG A 9 -15.594 -3.091 0.173 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.689 -3.531 2.136 1.00 0.00 N ATOM 0 H ARG A 9 -9.471 -1.867 3.529 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.600 -2.869 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.879 -3.663 2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.355 -4.046 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.660 -1.460 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.442 -1.364 2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.491 -1.362 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.897 -3.001 0.878 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.547 -2.886 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.756 -2.789 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.428 -3.358 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.698 -3.570 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.520 -3.797 1.608 1.00 0.00 H new ATOM 156 N ASP A 10 -10.925 -5.315 5.456 1.00 0.00 N ATOM 157 CA ASP A 10 -10.401 -6.548 6.025 1.00 0.00 C ATOM 158 C ASP A 10 -10.619 -7.701 5.047 1.00 0.00 C ATOM 159 O ASP A 10 -10.698 -7.477 3.842 1.00 0.00 O ATOM 160 CB ASP A 10 -11.079 -6.826 7.373 1.00 0.00 C ATOM 161 CG ASP A 10 -10.341 -7.855 8.208 1.00 0.00 C ATOM 162 OD1 ASP A 10 -9.319 -7.500 8.829 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.787 -9.020 8.246 1.00 0.00 O ATOM 0 H ASP A 10 -11.940 -5.231 5.510 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.330 -6.447 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.152 -5.895 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.097 -7.172 7.196 1.00 0.00 H new ATOM 168 N GLU A 11 -10.751 -8.915 5.552 1.00 0.00 N ATOM 169 CA GLU A 11 -10.886 -10.084 4.695 1.00 0.00 C ATOM 170 C GLU A 11 -12.333 -10.270 4.252 1.00 0.00 C ATOM 171 O GLU A 11 -12.606 -10.927 3.251 1.00 0.00 O ATOM 172 CB GLU A 11 -10.395 -11.329 5.424 1.00 0.00 C ATOM 173 CG GLU A 11 -8.882 -11.481 5.423 1.00 0.00 C ATOM 174 CD GLU A 11 -8.338 -11.805 4.047 1.00 0.00 C ATOM 175 OE1 GLU A 11 -8.752 -12.834 3.471 1.00 0.00 O ATOM 176 OE2 GLU A 11 -7.485 -11.052 3.538 1.00 0.00 O ATOM 0 H GLU A 11 -10.768 -9.119 6.551 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.275 -9.928 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.748 -11.298 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.840 -12.210 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.426 -10.559 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.598 -12.270 6.119 1.00 0.00 H new ATOM 183 N ASP A 12 -13.257 -9.672 4.991 1.00 0.00 N ATOM 184 CA ASP A 12 -14.681 -9.805 4.693 1.00 0.00 C ATOM 185 C ASP A 12 -15.205 -8.542 4.018 1.00 0.00 C ATOM 186 O ASP A 12 -16.326 -8.503 3.520 1.00 0.00 O ATOM 187 CB ASP A 12 -15.463 -10.080 5.987 1.00 0.00 C ATOM 188 CG ASP A 12 -16.972 -10.085 5.788 1.00 0.00 C ATOM 189 OD1 ASP A 12 -17.510 -11.094 5.284 1.00 0.00 O ATOM 190 OD2 ASP A 12 -17.625 -9.080 6.140 1.00 0.00 O ATOM 0 H ASP A 12 -13.049 -9.089 5.802 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.819 -10.643 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.154 -11.043 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.204 -9.324 6.728 1.00 0.00 H new ATOM 195 N GLY A 13 -14.360 -7.526 3.950 1.00 0.00 N ATOM 196 CA GLY A 13 -14.820 -6.216 3.533 1.00 0.00 C ATOM 197 C GLY A 13 -14.989 -5.290 4.717 1.00 0.00 C ATOM 198 O GLY A 13 -15.316 -4.114 4.557 1.00 0.00 O ATOM 0 H GLY A 13 -13.367 -7.583 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.107 -5.785 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.769 -6.312 3.006 1.00 0.00 H new ATOM 202 N ASN A 14 -14.773 -5.847 5.908 1.00 0.00 N ATOM 203 CA ASN A 14 -14.792 -5.070 7.155 1.00 0.00 C ATOM 204 C ASN A 14 -13.824 -3.894 7.071 1.00 0.00 C ATOM 205 O ASN A 14 -13.105 -3.739 6.090 1.00 0.00 O ATOM 206 CB ASN A 14 -14.424 -5.936 8.359 1.00 0.00 C ATOM 207 CG ASN A 14 -15.307 -7.164 8.510 1.00 0.00 C ATOM 208 OD1 ASN A 14 -14.852 -8.217 8.956 1.00 0.00 O ATOM 209 ND2 ASN A 14 -16.575 -7.038 8.147 1.00 0.00 N ATOM 0 H ASN A 14 -14.581 -6.840 6.040 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.808 -4.699 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -13.385 -6.253 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.493 -5.334 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.211 -7.831 8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.915 -6.148 7.782 1.00 0.00 H new ATOM 216 N GLU A 15 -13.770 -3.093 8.117 1.00 0.00 N ATOM 217 CA GLU A 15 -13.060 -1.829 8.051 1.00 0.00 C ATOM 218 C GLU A 15 -12.105 -1.650 9.222 1.00 0.00 C ATOM 219 O GLU A 15 -12.223 -2.315 10.249 1.00 0.00 O ATOM 220 CB GLU A 15 -14.057 -0.678 7.967 1.00 0.00 C ATOM 221 CG GLU A 15 -14.746 -0.602 6.612 1.00 0.00 C ATOM 222 CD GLU A 15 -15.699 0.563 6.490 1.00 0.00 C ATOM 223 OE1 GLU A 15 -15.228 1.707 6.337 1.00 0.00 O ATOM 224 OE2 GLU A 15 -16.927 0.338 6.520 1.00 0.00 O ATOM 0 H GLU A 15 -14.206 -3.292 9.017 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.448 -1.831 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.809 -0.795 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.540 0.262 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.989 -0.526 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.292 -1.529 6.438 1.00 0.00 H new ATOM 231 N HIS A 16 -11.149 -0.757 9.032 1.00 0.00 N ATOM 232 CA HIS A 16 -10.035 -0.569 9.950 1.00 0.00 C ATOM 233 C HIS A 16 -9.684 0.912 10.055 1.00 0.00 C ATOM 234 O HIS A 16 -10.515 1.767 9.746 1.00 0.00 O ATOM 235 CB HIS A 16 -8.820 -1.388 9.506 1.00 0.00 C ATOM 236 CG HIS A 16 -8.945 -2.849 9.804 1.00 0.00 C ATOM 237 ND1 HIS A 16 -8.579 -3.401 11.010 1.00 0.00 N ATOM 238 CD2 HIS A 16 -9.391 -3.874 9.043 1.00 0.00 C ATOM 239 CE1 HIS A 16 -8.790 -4.702 10.978 1.00 0.00 C ATOM 240 NE2 HIS A 16 -9.283 -5.017 9.796 1.00 0.00 N ATOM 0 H HIS A 16 -11.123 -0.133 8.226 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.334 -0.924 10.936 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.674 -1.255 8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.929 -0.999 10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.763 -3.806 8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.592 -5.393 11.784 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.542 -5.955 9.491 1.00 0.00 H new ATOM 249 N GLY A 17 -8.465 1.202 10.502 1.00 0.00 N ATOM 250 CA GLY A 17 -8.073 2.568 10.792 1.00 0.00 C ATOM 251 C GLY A 17 -8.170 3.478 9.582 1.00 0.00 C ATOM 252 O GLY A 17 -8.211 3.006 8.442 1.00 0.00 O ATOM 0 H GLY A 17 -7.737 0.507 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.705 2.961 11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.049 2.576 11.165 1.00 0.00 H new ATOM 256 N VAL A 18 -8.210 4.783 9.819 1.00 0.00 N ATOM 257 CA VAL A 18 -8.271 5.734 8.724 1.00 0.00 C ATOM 258 C VAL A 18 -6.869 6.027 8.190 1.00 0.00 C ATOM 259 O VAL A 18 -6.025 6.619 8.866 1.00 0.00 O ATOM 260 CB VAL A 18 -8.985 7.049 9.139 1.00 0.00 C ATOM 261 CG1 VAL A 18 -8.336 7.682 10.361 1.00 0.00 C ATOM 262 CG2 VAL A 18 -9.020 8.035 7.979 1.00 0.00 C ATOM 0 H VAL A 18 -8.201 5.201 10.750 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.862 5.280 7.928 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.010 6.792 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.864 8.600 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.384 6.987 11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.294 7.913 10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.525 8.949 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.001 8.271 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.559 7.592 7.141 1.00 0.00 H new ATOM 272 N PHE A 19 -6.622 5.560 6.982 1.00 0.00 N ATOM 273 CA PHE A 19 -5.375 5.835 6.287 1.00 0.00 C ATOM 274 C PHE A 19 -5.518 7.125 5.502 1.00 0.00 C ATOM 275 O PHE A 19 -6.607 7.690 5.442 1.00 0.00 O ATOM 276 CB PHE A 19 -5.016 4.670 5.354 1.00 0.00 C ATOM 277 CG PHE A 19 -4.682 3.390 6.077 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.591 2.808 6.946 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.455 2.776 5.893 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.289 1.644 7.618 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.143 1.607 6.562 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.062 1.040 7.427 1.00 0.00 C ATOM 0 H PHE A 19 -7.276 4.981 6.454 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.569 5.944 7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.852 4.487 4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.165 4.960 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.553 3.275 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.734 3.215 5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.010 1.205 8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.183 1.137 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.820 0.127 7.951 1.00 0.00 H new ATOM 292 N THR A 20 -4.436 7.594 4.903 1.00 0.00 N ATOM 293 CA THR A 20 -4.466 8.824 4.129 1.00 0.00 C ATOM 294 C THR A 20 -3.469 8.741 2.992 1.00 0.00 C ATOM 295 O THR A 20 -2.715 7.768 2.876 1.00 0.00 O ATOM 296 CB THR A 20 -4.125 10.077 4.971 1.00 0.00 C ATOM 297 OG1 THR A 20 -2.807 9.957 5.530 1.00 0.00 O ATOM 298 CG2 THR A 20 -5.120 10.273 6.096 1.00 0.00 C ATOM 0 H THR A 20 -3.523 7.140 4.938 1.00 0.00 H new ATOM 0 HA THR A 20 -5.486 8.928 3.759 1.00 0.00 H new ATOM 0 HB THR A 20 -4.170 10.940 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.602 10.756 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.852 11.161 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.120 10.397 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.105 9.402 6.751 1.00 0.00 H new ATOM 306 N GLY A 21 -3.471 9.759 2.161 1.00 0.00 N ATOM 307 CA GLY A 21 -2.492 9.861 1.113 1.00 0.00 C ATOM 308 C GLY A 21 -2.997 10.687 -0.036 1.00 0.00 C ATOM 309 O GLY A 21 -4.172 10.616 -0.381 1.00 0.00 O ATOM 0 H GLY A 21 -4.142 10.526 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.579 10.306 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.232 8.864 0.758 1.00 0.00 H new ATOM 313 N LYS A 22 -2.110 11.466 -0.636 1.00 0.00 N ATOM 314 CA LYS A 22 -2.470 12.313 -1.765 1.00 0.00 C ATOM 315 C LYS A 22 -2.921 11.460 -2.947 1.00 0.00 C ATOM 316 O LYS A 22 -3.527 11.955 -3.897 1.00 0.00 O ATOM 317 CB LYS A 22 -1.288 13.220 -2.133 1.00 0.00 C ATOM 318 CG LYS A 22 -0.008 12.472 -2.473 1.00 0.00 C ATOM 319 CD LYS A 22 0.028 12.072 -3.935 1.00 0.00 C ATOM 320 CE LYS A 22 0.278 13.272 -4.834 1.00 0.00 C ATOM 321 NZ LYS A 22 0.265 12.899 -6.270 1.00 0.00 N ATOM 0 H LYS A 22 -1.130 11.530 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.309 12.951 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.571 13.838 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.090 13.895 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.853 13.100 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.072 11.582 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.811 11.330 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.917 11.602 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.484 14.030 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.240 13.719 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.439 13.745 -6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.008 12.195 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.662 12.496 -6.516 1.00 0.00 H new ATOM 335 N GLN A 23 -2.628 10.171 -2.857 1.00 0.00 N ATOM 336 CA GLN A 23 -3.037 9.198 -3.849 1.00 0.00 C ATOM 337 C GLN A 23 -3.137 7.829 -3.183 1.00 0.00 C ATOM 338 O GLN A 23 -2.353 7.512 -2.289 1.00 0.00 O ATOM 339 CB GLN A 23 -2.024 9.175 -5.004 1.00 0.00 C ATOM 340 CG GLN A 23 -2.212 8.036 -5.996 1.00 0.00 C ATOM 341 CD GLN A 23 -1.055 7.909 -6.967 1.00 0.00 C ATOM 342 OE1 GLN A 23 -0.395 8.893 -7.303 1.00 0.00 O ATOM 343 NE2 GLN A 23 -0.806 6.695 -7.430 1.00 0.00 N ATOM 0 H GLN A 23 -2.095 9.771 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.011 9.465 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.087 10.121 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.019 9.112 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.327 7.100 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.134 8.195 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.377 5.906 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.043 6.548 -8.091 1.00 0.00 H new ATOM 352 N PRO A 24 -4.140 7.027 -3.596 1.00 0.00 N ATOM 353 CA PRO A 24 -4.430 5.696 -3.033 1.00 0.00 C ATOM 354 C PRO A 24 -3.220 4.775 -2.863 1.00 0.00 C ATOM 355 O PRO A 24 -3.290 3.811 -2.103 1.00 0.00 O ATOM 356 CB PRO A 24 -5.387 5.083 -4.052 1.00 0.00 C ATOM 357 CG PRO A 24 -6.075 6.239 -4.685 1.00 0.00 C ATOM 358 CD PRO A 24 -5.116 7.398 -4.639 1.00 0.00 C ATOM 0 HA PRO A 24 -4.819 5.804 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.848 4.492 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.101 4.416 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.352 6.008 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.996 6.479 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.629 7.549 -5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.628 8.328 -4.391 1.00 0.00 H new ATOM 366 N ARG A 25 -2.120 5.059 -3.554 1.00 0.00 N ATOM 367 CA ARG A 25 -0.951 4.199 -3.493 1.00 0.00 C ATOM 368 C ARG A 25 -0.119 4.534 -2.256 1.00 0.00 C ATOM 369 O ARG A 25 0.778 3.787 -1.877 1.00 0.00 O ATOM 370 CB ARG A 25 -0.112 4.333 -4.768 1.00 0.00 C ATOM 371 CG ARG A 25 0.925 3.234 -4.922 1.00 0.00 C ATOM 372 CD ARG A 25 1.708 3.376 -6.214 1.00 0.00 C ATOM 373 NE ARG A 25 2.598 2.235 -6.437 1.00 0.00 N ATOM 374 CZ ARG A 25 3.683 2.271 -7.212 1.00 0.00 C ATOM 375 NH1 ARG A 25 4.030 3.391 -7.834 1.00 0.00 N ATOM 376 NH2 ARG A 25 4.414 1.177 -7.372 1.00 0.00 N ATOM 0 H ARG A 25 -2.017 5.874 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.282 3.163 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.774 4.322 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.391 5.300 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.612 3.261 -4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.431 2.263 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.016 3.466 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.294 4.294 -6.185 1.00 0.00 H new ATOM 0 HE ARG A 25 2.374 1.356 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.465 4.233 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.861 3.410 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.146 0.312 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.244 1.201 -7.964 1.00 0.00 H new ATOM 390 N GLN A 26 -0.428 5.664 -1.628 1.00 0.00 N ATOM 391 CA GLN A 26 0.188 6.034 -0.362 1.00 0.00 C ATOM 392 C GLN A 26 -0.442 5.242 0.771 1.00 0.00 C ATOM 393 O GLN A 26 0.243 4.507 1.469 1.00 0.00 O ATOM 394 CB GLN A 26 0.052 7.538 -0.107 1.00 0.00 C ATOM 395 CG GLN A 26 0.912 8.376 -1.035 1.00 0.00 C ATOM 396 CD GLN A 26 2.370 7.973 -0.957 1.00 0.00 C ATOM 397 OE1 GLN A 26 2.758 7.007 -1.773 1.00 0.00 O flip ATOM 398 NE2 GLN A 26 3.139 8.519 -0.165 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.105 6.341 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 26 1.251 5.797 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.992 7.828 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.326 7.752 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.557 8.266 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.810 9.429 -0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.799 9.261 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.116 8.230 -0.121 1.00 0.00 H new ATOM 407 N ALA A 27 -1.726 5.482 1.011 1.00 0.00 N ATOM 408 CA ALA A 27 -2.563 4.584 1.817 1.00 0.00 C ATOM 409 C ALA A 27 -2.188 3.111 1.643 1.00 0.00 C ATOM 410 O ALA A 27 -2.211 2.344 2.599 1.00 0.00 O ATOM 411 CB ALA A 27 -4.025 4.804 1.461 1.00 0.00 C ATOM 0 H ALA A 27 -2.220 6.301 0.656 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.392 4.826 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.649 4.139 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.298 5.839 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.178 4.592 0.403 1.00 0.00 H new ATOM 417 N ALA A 28 -1.835 2.741 0.427 1.00 0.00 N ATOM 418 CA ALA A 28 -1.392 1.392 0.111 1.00 0.00 C ATOM 419 C ALA A 28 0.049 1.162 0.557 1.00 0.00 C ATOM 420 O ALA A 28 0.395 0.086 1.027 1.00 0.00 O ATOM 421 CB ALA A 28 -1.493 1.201 -1.374 1.00 0.00 C ATOM 0 H ALA A 28 -1.847 3.370 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.022 0.677 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.165 0.195 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.527 1.339 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.860 1.931 -1.879 1.00 0.00 H new ATOM 427 N LEU A 29 0.889 2.171 0.386 1.00 0.00 N ATOM 428 CA LEU A 29 2.279 2.101 0.807 1.00 0.00 C ATOM 429 C LEU A 29 2.352 1.940 2.319 1.00 0.00 C ATOM 430 O LEU A 29 3.167 1.184 2.850 1.00 0.00 O ATOM 431 CB LEU A 29 3.021 3.366 0.363 1.00 0.00 C ATOM 432 CG LEU A 29 4.240 3.132 -0.522 1.00 0.00 C ATOM 433 CD1 LEU A 29 3.932 2.103 -1.592 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.639 4.429 -1.178 1.00 0.00 C ATOM 0 H LEU A 29 0.628 3.057 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 29 2.755 1.238 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.322 4.008 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.338 3.912 1.252 1.00 0.00 H new ATOM 0 HG LEU A 29 5.056 2.761 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.814 1.949 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.652 1.161 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.109 2.458 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.511 4.263 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.813 4.798 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.882 5.165 -0.411 1.00 0.00 H new ATOM 446 N LYS A 30 1.465 2.646 3.000 1.00 0.00 N ATOM 447 CA LYS A 30 1.308 2.537 4.443 1.00 0.00 C ATOM 448 C LYS A 30 0.464 1.320 4.782 1.00 0.00 C ATOM 449 O LYS A 30 0.125 1.087 5.941 1.00 0.00 O ATOM 450 CB LYS A 30 0.670 3.798 5.030 1.00 0.00 C ATOM 451 CG LYS A 30 1.372 5.092 4.630 1.00 0.00 C ATOM 452 CD LYS A 30 2.866 5.051 4.929 1.00 0.00 C ATOM 453 CE LYS A 30 3.165 5.017 6.422 1.00 0.00 C ATOM 454 NZ LYS A 30 2.753 6.271 7.104 1.00 0.00 N ATOM 0 H LYS A 30 0.829 3.315 2.566 1.00 0.00 H new ATOM 0 HA LYS A 30 2.299 2.425 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.371 3.848 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.667 3.719 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.221 5.272 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.919 5.929 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.303 4.172 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.345 5.924 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.648 4.172 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.232 4.856 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.138 6.284 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.117 7.089 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.715 6.319 7.145 1.00 0.00 H new ATOM 468 N ALA A 31 0.026 0.624 3.756 1.00 0.00 N ATOM 469 CA ALA A 31 -0.663 -0.635 3.928 1.00 0.00 C ATOM 470 C ALA A 31 0.304 -1.785 3.703 1.00 0.00 C ATOM 471 O ALA A 31 0.067 -2.909 4.135 1.00 0.00 O ATOM 472 CB ALA A 31 -1.855 -0.730 2.996 1.00 0.00 C ATOM 0 H ALA A 31 0.137 0.913 2.784 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.041 -0.694 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.357 -1.686 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.550 0.082 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.516 -0.654 1.963 1.00 0.00 H new ATOM 478 N ALA A 32 1.395 -1.491 3.015 1.00 0.00 N ATOM 479 CA ALA A 32 2.435 -2.470 2.803 1.00 0.00 C ATOM 480 C ALA A 32 3.194 -2.696 4.090 1.00 0.00 C ATOM 481 O ALA A 32 3.218 -3.815 4.608 1.00 0.00 O ATOM 482 CB ALA A 32 3.370 -2.040 1.687 1.00 0.00 C ATOM 0 H ALA A 32 1.579 -0.580 2.595 1.00 0.00 H new ATOM 0 HA ALA A 32 1.974 -3.410 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.143 -2.796 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.805 -1.926 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.834 -1.089 1.948 1.00 0.00 H new ATOM 488 N ASN A 33 3.906 -1.662 4.540 1.00 0.00 N ATOM 489 CA ASN A 33 4.407 -1.538 5.931 1.00 0.00 C ATOM 490 C ASN A 33 3.513 -2.101 7.075 1.00 0.00 C ATOM 491 O ASN A 33 3.836 -1.900 8.244 1.00 0.00 O ATOM 492 CB ASN A 33 4.797 -0.070 6.207 1.00 0.00 C ATOM 493 CG ASN A 33 3.725 0.752 6.895 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.481 0.437 6.628 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 4.024 1.676 7.653 1.00 0.00 N flip ATOM 0 H ASN A 33 4.160 -0.870 3.949 1.00 0.00 H new ATOM 0 HA ASN A 33 5.271 -2.201 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.697 -0.057 6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.051 0.408 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.005 1.889 7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.291 2.228 8.099 1.00 0.00 H new ATOM 502 N ARG A 34 2.427 -2.810 6.768 1.00 0.00 N ATOM 503 CA ARG A 34 1.436 -3.099 7.798 1.00 0.00 C ATOM 504 C ARG A 34 1.752 -4.425 8.477 1.00 0.00 C ATOM 505 O ARG A 34 1.780 -4.505 9.706 1.00 0.00 O ATOM 506 CB ARG A 34 0.024 -3.152 7.221 1.00 0.00 C ATOM 507 CG ARG A 34 -0.587 -1.788 6.984 1.00 0.00 C ATOM 508 CD ARG A 34 -0.590 -0.955 8.251 1.00 0.00 C ATOM 509 NE ARG A 34 -1.351 -1.584 9.323 1.00 0.00 N ATOM 510 CZ ARG A 34 -1.653 -0.979 10.465 1.00 0.00 C ATOM 511 NH1 ARG A 34 -1.255 0.267 10.692 1.00 0.00 N ATOM 512 NH2 ARG A 34 -2.353 -1.620 11.384 1.00 0.00 N ATOM 0 H ARG A 34 2.216 -3.184 5.843 1.00 0.00 H new ATOM 0 HA ARG A 34 1.479 -2.291 8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.046 -3.699 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.616 -3.714 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.028 -1.268 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.608 -1.903 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.436 -0.796 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.011 0.027 8.037 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.670 -2.544 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.713 0.766 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.491 0.725 11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.660 -2.578 11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.586 -1.157 12.262 1.00 0.00 H new ATOM 526 N GLY A 35 2.013 -5.463 7.684 1.00 0.00 N ATOM 527 CA GLY A 35 2.327 -6.746 8.281 1.00 0.00 C ATOM 528 C GLY A 35 2.956 -7.750 7.345 1.00 0.00 C ATOM 529 O GLY A 35 4.179 -7.898 7.317 1.00 0.00 O ATOM 0 H GLY A 35 2.013 -5.439 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.002 -6.583 9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.411 -7.175 8.687 1.00 0.00 H new ATOM 533 N SER A 36 2.132 -8.424 6.550 1.00 0.00 N ATOM 534 CA SER A 36 2.586 -9.579 5.786 1.00 0.00 C ATOM 535 C SER A 36 3.160 -9.133 4.452 1.00 0.00 C ATOM 536 O SER A 36 3.002 -9.799 3.427 1.00 0.00 O ATOM 537 CB SER A 36 1.432 -10.554 5.562 1.00 0.00 C ATOM 538 OG SER A 36 0.803 -10.894 6.788 1.00 0.00 O ATOM 0 H SER A 36 1.148 -8.190 6.418 1.00 0.00 H new ATOM 0 HA SER A 36 3.367 -10.086 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.702 -10.108 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.804 -11.457 5.078 1.00 0.00 H new ATOM 0 HG SER A 36 0.067 -11.518 6.616 1.00 0.00 H new ATOM 544 N GLY A 37 3.837 -8.000 4.482 1.00 0.00 N ATOM 545 CA GLY A 37 4.395 -7.452 3.268 1.00 0.00 C ATOM 546 C GLY A 37 5.591 -8.238 2.788 1.00 0.00 C ATOM 547 O GLY A 37 6.728 -7.980 3.177 1.00 0.00 O ATOM 0 H GLY A 37 4.010 -7.450 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.631 -7.443 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.687 -6.416 3.439 1.00 0.00 H new ATOM 551 N THR A 38 5.308 -9.185 1.927 1.00 0.00 N ATOM 552 CA THR A 38 6.303 -10.092 1.384 1.00 0.00 C ATOM 553 C THR A 38 6.117 -10.196 -0.121 1.00 0.00 C ATOM 554 O THR A 38 4.996 -10.169 -0.606 1.00 0.00 O ATOM 555 CB THR A 38 6.133 -11.489 2.001 1.00 0.00 C ATOM 556 OG1 THR A 38 4.760 -11.870 1.908 1.00 0.00 O ATOM 557 CG2 THR A 38 6.558 -11.530 3.457 1.00 0.00 C ATOM 0 H THR A 38 4.366 -9.354 1.575 1.00 0.00 H new ATOM 0 HA THR A 38 7.297 -9.710 1.616 1.00 0.00 H new ATOM 0 HB THR A 38 6.772 -12.178 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.697 -12.842 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.419 -12.538 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.609 -11.251 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.952 -10.831 4.033 1.00 0.00 H new ATOM 565 N LYS A 39 7.199 -10.315 -0.860 1.00 0.00 N ATOM 566 CA LYS A 39 7.113 -10.322 -2.309 1.00 0.00 C ATOM 567 C LYS A 39 6.725 -11.709 -2.811 1.00 0.00 C ATOM 568 O LYS A 39 6.370 -11.891 -3.978 1.00 0.00 O ATOM 569 CB LYS A 39 8.442 -9.874 -2.909 1.00 0.00 C ATOM 570 CG LYS A 39 8.346 -9.448 -4.361 1.00 0.00 C ATOM 571 CD LYS A 39 9.702 -9.029 -4.896 1.00 0.00 C ATOM 572 CE LYS A 39 9.587 -8.292 -6.217 1.00 0.00 C ATOM 573 NZ LYS A 39 10.870 -7.636 -6.586 1.00 0.00 N ATOM 0 H LYS A 39 8.144 -10.408 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 39 6.339 -9.623 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.833 -9.043 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.161 -10.689 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.953 -10.270 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.643 -8.621 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.198 -8.390 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.329 -9.911 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.295 -8.991 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.799 -7.542 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.681 -6.674 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.488 -7.588 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.339 -8.187 -7.333 1.00 0.00 H new ATOM 587 N ALA A 40 6.799 -12.682 -1.917 1.00 0.00 N ATOM 588 CA ALA A 40 6.342 -14.030 -2.210 1.00 0.00 C ATOM 589 C ALA A 40 4.821 -14.073 -2.227 1.00 0.00 C ATOM 590 O ALA A 40 4.213 -14.791 -3.019 1.00 0.00 O ATOM 591 CB ALA A 40 6.890 -15.006 -1.181 1.00 0.00 C ATOM 0 H ALA A 40 7.174 -12.561 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 40 6.710 -14.322 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.540 -16.012 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.980 -14.986 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.543 -14.720 -0.188 1.00 0.00 H new ATOM 597 N ASN A 41 4.221 -13.269 -1.361 1.00 0.00 N ATOM 598 CA ASN A 41 2.770 -13.194 -1.234 1.00 0.00 C ATOM 599 C ASN A 41 2.376 -11.933 -0.471 1.00 0.00 C ATOM 600 O ASN A 41 2.114 -11.971 0.731 1.00 0.00 O ATOM 601 CB ASN A 41 2.184 -14.465 -0.578 1.00 0.00 C ATOM 602 CG ASN A 41 2.986 -15.023 0.598 1.00 0.00 C ATOM 603 OD1 ASN A 41 3.583 -14.165 1.405 1.00 0.00 O flip ATOM 604 ND2 ASN A 41 3.047 -16.239 0.786 1.00 0.00 N flip ATOM 0 H ASN A 41 4.725 -12.650 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 41 2.343 -13.138 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.173 -14.244 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.099 -15.241 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.576 -16.878 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.569 -16.606 1.582 1.00 0.00 H new ATOM 611 N PRO A 42 2.345 -10.792 -1.185 1.00 0.00 N ATOM 612 CA PRO A 42 2.112 -9.465 -0.594 1.00 0.00 C ATOM 613 C PRO A 42 0.872 -9.418 0.274 1.00 0.00 C ATOM 614 O PRO A 42 -0.147 -10.028 -0.059 1.00 0.00 O ATOM 615 CB PRO A 42 1.924 -8.571 -1.820 1.00 0.00 C ATOM 616 CG PRO A 42 2.729 -9.236 -2.875 1.00 0.00 C ATOM 617 CD PRO A 42 2.532 -10.706 -2.647 1.00 0.00 C ATOM 0 HA PRO A 42 2.929 -9.167 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.874 -8.499 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.273 -7.556 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.394 -8.943 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.781 -8.963 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.665 -11.086 -3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.394 -11.285 -2.979 1.00 0.00 H new ATOM 625 N ASP A 43 0.977 -8.714 1.394 1.00 0.00 N ATOM 626 CA ASP A 43 -0.153 -8.499 2.276 1.00 0.00 C ATOM 627 C ASP A 43 -1.267 -7.834 1.495 1.00 0.00 C ATOM 628 O ASP A 43 -1.213 -6.634 1.223 1.00 0.00 O ATOM 629 CB ASP A 43 0.256 -7.615 3.462 1.00 0.00 C ATOM 630 CG ASP A 43 -0.637 -7.793 4.678 1.00 0.00 C ATOM 631 OD1 ASP A 43 -1.678 -8.465 4.571 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.276 -7.284 5.766 1.00 0.00 O ATOM 0 H ASP A 43 1.844 -8.280 1.711 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.496 -9.458 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.285 -7.843 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.233 -6.570 3.153 1.00 0.00 H new ATOM 637 N ILE A 44 -2.228 -8.637 1.066 1.00 0.00 N ATOM 638 CA ILE A 44 -3.383 -8.123 0.367 1.00 0.00 C ATOM 639 C ILE A 44 -4.044 -7.060 1.208 1.00 0.00 C ATOM 640 O ILE A 44 -4.386 -7.296 2.369 1.00 0.00 O ATOM 641 CB ILE A 44 -4.398 -9.243 0.034 1.00 0.00 C ATOM 642 CG1 ILE A 44 -3.850 -10.109 -1.091 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.747 -8.664 -0.372 1.00 0.00 C ATOM 644 CD1 ILE A 44 -3.699 -9.349 -2.387 1.00 0.00 C ATOM 0 H ILE A 44 -2.226 -9.649 1.193 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.046 -7.695 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.545 -9.848 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.881 -10.512 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.515 -10.959 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.438 -9.476 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.147 -8.066 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.623 -8.036 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.305 -10.014 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.671 -8.968 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.012 -8.515 -2.242 1.00 0.00 H new ATOM 656 N ILE A 45 -4.243 -5.898 0.624 1.00 0.00 N ATOM 657 CA ILE A 45 -4.769 -4.781 1.366 1.00 0.00 C ATOM 658 C ILE A 45 -5.839 -4.114 0.536 1.00 0.00 C ATOM 659 O ILE A 45 -5.740 -4.025 -0.689 1.00 0.00 O ATOM 660 CB ILE A 45 -3.686 -3.754 1.793 1.00 0.00 C ATOM 661 CG1 ILE A 45 -2.756 -3.393 0.640 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.874 -4.262 2.972 1.00 0.00 C ATOM 663 CD1 ILE A 45 -3.309 -2.328 -0.264 1.00 0.00 C ATOM 0 H ILE A 45 -4.048 -5.706 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.186 -5.167 2.296 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.217 -2.852 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.802 -3.055 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.554 -4.289 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.125 -3.519 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.535 -4.439 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.378 -5.193 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.595 -2.121 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.249 -2.671 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.485 -1.418 0.310 1.00 0.00 H new ATOM 675 N ARG A 46 -6.881 -3.698 1.196 1.00 0.00 N ATOM 676 CA ARG A 46 -7.963 -3.033 0.524 1.00 0.00 C ATOM 677 C ARG A 46 -8.091 -1.627 1.046 1.00 0.00 C ATOM 678 O ARG A 46 -8.241 -1.412 2.249 1.00 0.00 O ATOM 679 CB ARG A 46 -9.274 -3.791 0.703 1.00 0.00 C ATOM 680 CG ARG A 46 -9.247 -5.197 0.134 1.00 0.00 C ATOM 681 CD ARG A 46 -10.627 -5.831 0.144 1.00 0.00 C ATOM 682 NE ARG A 46 -11.539 -5.206 -0.819 1.00 0.00 N ATOM 683 CZ ARG A 46 -12.798 -5.611 -1.016 1.00 0.00 C ATOM 684 NH1 ARG A 46 -13.309 -6.589 -0.280 1.00 0.00 N ATOM 685 NH2 ARG A 46 -13.549 -5.030 -1.942 1.00 0.00 N ATOM 0 H ARG A 46 -7.006 -3.807 2.202 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.743 -3.003 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.511 -3.843 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.076 -3.230 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.866 -5.170 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.559 -5.812 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.537 -6.893 -0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.052 -5.753 1.145 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.194 -4.419 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.741 -7.036 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.270 -6.894 -0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.167 -4.272 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.509 -5.342 -2.089 1.00 0.00 H new ATOM 699 N LEU A 47 -8.044 -0.675 0.145 1.00 0.00 N ATOM 700 CA LEU A 47 -8.206 0.704 0.514 1.00 0.00 C ATOM 701 C LEU A 47 -9.578 1.129 0.056 1.00 0.00 C ATOM 702 O LEU A 47 -10.155 0.513 -0.838 1.00 0.00 O ATOM 703 CB LEU A 47 -7.121 1.603 -0.109 1.00 0.00 C ATOM 704 CG LEU A 47 -5.832 1.745 0.704 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.148 1.971 2.172 1.00 0.00 C ATOM 706 CD2 LEU A 47 -4.932 0.534 0.526 1.00 0.00 C ATOM 0 H LEU A 47 -7.894 -0.835 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.102 0.810 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.867 1.207 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.543 2.596 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.294 2.616 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.219 2.069 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.736 2.882 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.716 1.124 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.025 0.665 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.456 -0.361 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.668 0.428 -0.526 1.00 0.00 H new ATOM 718 N ARG A 48 -10.107 2.161 0.646 1.00 0.00 N ATOM 719 CA ARG A 48 -11.432 2.606 0.306 1.00 0.00 C ATOM 720 C ARG A 48 -11.427 4.110 0.346 1.00 0.00 C ATOM 721 O ARG A 48 -11.187 4.697 1.400 1.00 0.00 O ATOM 722 CB ARG A 48 -12.476 2.039 1.278 1.00 0.00 C ATOM 723 CG ARG A 48 -13.906 2.286 0.816 1.00 0.00 C ATOM 724 CD ARG A 48 -14.934 1.599 1.706 1.00 0.00 C ATOM 725 NE ARG A 48 -14.986 2.152 3.063 1.00 0.00 N ATOM 726 CZ ARG A 48 -15.519 3.338 3.376 1.00 0.00 C ATOM 727 NH1 ARG A 48 -15.919 4.177 2.425 1.00 0.00 N ATOM 728 NH2 ARG A 48 -15.640 3.690 4.647 1.00 0.00 N ATOM 0 H ARG A 48 -9.642 2.713 1.367 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.703 2.250 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.316 0.967 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.333 2.489 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.100 3.359 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.020 1.929 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.919 1.687 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.703 0.535 1.763 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.589 1.595 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.821 3.919 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.324 5.079 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.327 3.057 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.046 4.594 4.889 1.00 0.00 H new ATOM 742 N GLU A 49 -11.647 4.738 -0.793 1.00 0.00 N ATOM 743 CA GLU A 49 -11.565 6.178 -0.854 1.00 0.00 C ATOM 744 C GLU A 49 -12.729 6.755 -0.080 1.00 0.00 C ATOM 745 O GLU A 49 -13.869 6.334 -0.260 1.00 0.00 O ATOM 746 CB GLU A 49 -11.595 6.680 -2.303 1.00 0.00 C ATOM 747 CG GLU A 49 -10.673 7.860 -2.547 1.00 0.00 C ATOM 748 CD GLU A 49 -10.520 8.179 -4.017 1.00 0.00 C ATOM 749 OE1 GLU A 49 -10.317 7.239 -4.818 1.00 0.00 O ATOM 750 OE2 GLU A 49 -10.616 9.367 -4.378 1.00 0.00 O ATOM 0 H GLU A 49 -11.880 4.280 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.620 6.500 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.314 5.864 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.615 6.965 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.062 8.735 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.693 7.646 -2.121 1.00 0.00 H new ATOM 757 N ARG A 50 -12.447 7.695 0.802 1.00 0.00 N ATOM 758 CA ARG A 50 -13.511 8.342 1.545 1.00 0.00 C ATOM 759 C ARG A 50 -14.191 9.371 0.648 1.00 0.00 C ATOM 760 O ARG A 50 -15.038 10.148 1.085 1.00 0.00 O ATOM 761 CB ARG A 50 -12.976 8.976 2.834 1.00 0.00 C ATOM 762 CG ARG A 50 -12.076 8.041 3.636 1.00 0.00 C ATOM 763 CD ARG A 50 -12.078 8.362 5.122 1.00 0.00 C ATOM 764 NE ARG A 50 -13.392 8.171 5.739 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.567 7.912 7.035 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.523 7.849 7.849 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.786 7.729 7.523 1.00 0.00 N ATOM 0 H ARG A 50 -11.506 8.024 1.019 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.249 7.598 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.419 9.879 2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.817 9.283 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.405 7.012 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.057 8.108 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.348 7.729 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.759 9.394 5.267 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.218 8.240 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.582 7.999 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.660 7.651 8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.596 7.786 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.914 7.531 8.515 1.00 0.00 H new ATOM 781 N GLY A 51 -13.806 9.345 -0.623 1.00 0.00 N ATOM 782 CA GLY A 51 -14.434 10.168 -1.624 1.00 0.00 C ATOM 783 C GLY A 51 -15.202 9.333 -2.633 1.00 0.00 C ATOM 784 O GLY A 51 -16.424 9.434 -2.721 1.00 0.00 O ATOM 0 H GLY A 51 -13.054 8.754 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.112 10.873 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.676 10.757 -2.140 1.00 0.00 H new ATOM 788 N THR A 52 -14.490 8.502 -3.394 1.00 0.00 N ATOM 789 CA THR A 52 -15.122 7.660 -4.409 1.00 0.00 C ATOM 790 C THR A 52 -15.505 6.293 -3.865 1.00 0.00 C ATOM 791 O THR A 52 -14.823 5.735 -3.003 1.00 0.00 O ATOM 792 CB THR A 52 -14.159 7.448 -5.603 1.00 0.00 C ATOM 793 OG1 THR A 52 -13.141 6.496 -5.259 1.00 0.00 O ATOM 794 CG2 THR A 52 -13.480 8.749 -5.985 1.00 0.00 C ATOM 0 H THR A 52 -13.478 8.394 -3.327 1.00 0.00 H new ATOM 0 HA THR A 52 -16.027 8.179 -4.726 1.00 0.00 H new ATOM 0 HB THR A 52 -14.750 7.081 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.262 6.927 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.808 8.576 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.234 9.483 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.909 9.124 -5.136 1.00 0.00 H new ATOM 802 N LYS A 53 -16.606 5.749 -4.380 1.00 0.00 N ATOM 803 CA LYS A 53 -17.028 4.414 -4.002 1.00 0.00 C ATOM 804 C LYS A 53 -16.292 3.383 -4.844 1.00 0.00 C ATOM 805 O LYS A 53 -16.887 2.517 -5.494 1.00 0.00 O ATOM 806 CB LYS A 53 -18.550 4.233 -4.103 1.00 0.00 C ATOM 807 CG LYS A 53 -19.140 4.337 -5.500 1.00 0.00 C ATOM 808 CD LYS A 53 -20.596 3.906 -5.474 1.00 0.00 C ATOM 809 CE LYS A 53 -21.154 3.653 -6.862 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.547 3.136 -6.800 1.00 0.00 N ATOM 0 H LYS A 53 -17.214 6.213 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 53 -16.771 4.265 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.808 3.257 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.028 4.981 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.060 5.362 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -18.577 3.709 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.692 2.999 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -21.190 4.676 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.133 4.578 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.521 2.936 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.900 2.973 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.562 2.241 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -23.155 3.832 -6.322 1.00 0.00 H new ATOM 824 N LYS A 54 -14.979 3.466 -4.798 1.00 0.00 N ATOM 825 CA LYS A 54 -14.127 2.551 -5.521 1.00 0.00 C ATOM 826 C LYS A 54 -13.121 1.972 -4.553 1.00 0.00 C ATOM 827 O LYS A 54 -12.256 2.683 -4.041 1.00 0.00 O ATOM 828 CB LYS A 54 -13.403 3.245 -6.679 1.00 0.00 C ATOM 829 CG LYS A 54 -14.313 3.606 -7.839 1.00 0.00 C ATOM 830 CD LYS A 54 -13.520 4.101 -9.036 1.00 0.00 C ATOM 831 CE LYS A 54 -14.413 4.286 -10.252 1.00 0.00 C ATOM 832 NZ LYS A 54 -15.054 3.008 -10.665 1.00 0.00 N ATOM 0 H LYS A 54 -14.475 4.169 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.742 1.762 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.927 4.152 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.608 2.593 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.901 2.734 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.017 4.376 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.037 5.047 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.727 3.390 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.184 5.024 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.824 4.681 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.398 3.092 -11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.359 2.237 -10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.854 2.801 -10.033 1.00 0.00 H new ATOM 846 N VAL A 55 -13.250 0.694 -4.274 1.00 0.00 N ATOM 847 CA VAL A 55 -12.340 0.048 -3.359 1.00 0.00 C ATOM 848 C VAL A 55 -11.045 -0.247 -4.086 1.00 0.00 C ATOM 849 O VAL A 55 -10.940 -1.215 -4.834 1.00 0.00 O ATOM 850 CB VAL A 55 -12.932 -1.256 -2.783 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.964 -1.909 -1.807 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.268 -0.981 -2.109 1.00 0.00 C ATOM 0 H VAL A 55 -13.971 0.087 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.160 0.719 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.096 -1.948 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.405 -2.826 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.033 -2.145 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.760 -1.224 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.672 -1.911 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.126 -0.268 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.965 -0.567 -2.838 1.00 0.00 H new ATOM 862 N HIS A 56 -10.065 0.610 -3.879 1.00 0.00 N ATOM 863 CA HIS A 56 -8.763 0.410 -4.469 1.00 0.00 C ATOM 864 C HIS A 56 -8.125 -0.780 -3.783 1.00 0.00 C ATOM 865 O HIS A 56 -8.176 -0.886 -2.559 1.00 0.00 O ATOM 866 CB HIS A 56 -7.891 1.663 -4.312 1.00 0.00 C ATOM 867 CG HIS A 56 -8.470 2.905 -4.936 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.018 3.445 -6.120 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.464 3.720 -4.517 1.00 0.00 C ATOM 870 CE1 HIS A 56 -8.713 4.534 -6.399 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.597 4.726 -5.441 1.00 0.00 N ATOM 0 H HIS A 56 -10.149 1.450 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.860 0.222 -5.538 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.728 1.847 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.914 1.469 -4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.049 3.601 -3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.579 5.162 -7.267 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.267 5.493 -5.394 1.00 0.00 H new ATOM 880 N VAL A 57 -7.520 -1.673 -4.538 1.00 0.00 N ATOM 881 CA VAL A 57 -7.029 -2.906 -3.962 1.00 0.00 C ATOM 882 C VAL A 57 -5.695 -3.251 -4.575 1.00 0.00 C ATOM 883 O VAL A 57 -5.579 -3.653 -5.737 1.00 0.00 O ATOM 884 CB VAL A 57 -8.032 -4.075 -4.094 1.00 0.00 C ATOM 885 CG1 VAL A 57 -8.480 -4.267 -5.531 1.00 0.00 C ATOM 886 CG2 VAL A 57 -7.430 -5.359 -3.537 1.00 0.00 C ATOM 0 H VAL A 57 -7.358 -1.570 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.904 -2.746 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.916 -3.823 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.184 -5.097 -5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.964 -3.357 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.614 -4.485 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.149 -6.172 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.524 -5.606 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.186 -5.219 -2.484 1.00 0.00 H new ATOM 896 N PHE A 58 -4.685 -3.025 -3.786 1.00 0.00 N ATOM 897 CA PHE A 58 -3.338 -3.249 -4.203 1.00 0.00 C ATOM 898 C PHE A 58 -2.854 -4.528 -3.541 1.00 0.00 C ATOM 899 O PHE A 58 -3.580 -5.131 -2.749 1.00 0.00 O ATOM 900 CB PHE A 58 -2.432 -2.064 -3.810 1.00 0.00 C ATOM 901 CG PHE A 58 -2.887 -0.682 -4.193 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.122 -0.174 -3.807 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.042 0.123 -4.933 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.496 1.103 -4.162 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.414 1.400 -5.290 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.644 1.891 -4.905 1.00 0.00 C ATOM 0 H PHE A 58 -4.777 -2.678 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.297 -3.341 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.300 -2.086 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.451 -2.230 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.794 -0.786 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.076 -0.255 -5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.458 1.487 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.743 2.016 -5.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.939 2.891 -5.185 1.00 0.00 H new ATOM 916 N LYS A 59 -1.642 -4.944 -3.835 1.00 0.00 N ATOM 917 CA LYS A 59 -1.018 -6.061 -3.150 1.00 0.00 C ATOM 918 C LYS A 59 0.268 -5.489 -2.613 1.00 0.00 C ATOM 919 O LYS A 59 1.032 -4.898 -3.384 1.00 0.00 O ATOM 920 CB LYS A 59 -0.697 -7.218 -4.097 1.00 0.00 C ATOM 921 CG LYS A 59 -1.892 -7.756 -4.862 1.00 0.00 C ATOM 922 CD LYS A 59 -1.556 -9.064 -5.557 1.00 0.00 C ATOM 923 CE LYS A 59 -1.290 -10.174 -4.551 1.00 0.00 C ATOM 924 NZ LYS A 59 -1.056 -11.486 -5.210 1.00 0.00 N ATOM 0 H LYS A 59 -1.059 -4.519 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.678 -6.470 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.057 -6.887 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.255 -8.031 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.726 -7.909 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.215 -7.022 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.379 -9.353 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.679 -8.927 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.421 -9.913 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.138 -10.257 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.879 -12.211 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.894 -11.749 -5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.231 -11.416 -5.839 1.00 0.00 H new ATOM 938 N ALA A 60 0.539 -5.636 -1.339 1.00 0.00 N ATOM 939 CA ALA A 60 1.498 -4.761 -0.709 1.00 0.00 C ATOM 940 C ALA A 60 2.559 -5.555 0.016 1.00 0.00 C ATOM 941 O ALA A 60 2.257 -6.378 0.874 1.00 0.00 O ATOM 942 CB ALA A 60 0.774 -3.844 0.247 1.00 0.00 C ATOM 0 H ALA A 60 0.120 -6.337 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 60 1.998 -4.167 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.492 -3.179 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.041 -3.252 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.265 -4.438 1.006 1.00 0.00 H new ATOM 948 N TRP A 61 3.803 -5.320 -0.328 1.00 0.00 N ATOM 949 CA TRP A 61 4.880 -6.048 0.287 1.00 0.00 C ATOM 950 C TRP A 61 6.003 -5.112 0.681 1.00 0.00 C ATOM 951 O TRP A 61 5.913 -3.905 0.496 1.00 0.00 O ATOM 952 CB TRP A 61 5.394 -7.143 -0.653 1.00 0.00 C ATOM 953 CG TRP A 61 6.139 -6.657 -1.856 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.493 -6.521 -1.973 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.581 -6.268 -3.119 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.812 -6.063 -3.221 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.657 -5.900 -3.948 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.277 -6.192 -3.632 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.471 -5.462 -5.257 1.00 0.00 C ATOM 960 CZ3 TRP A 61 4.097 -5.758 -4.932 1.00 0.00 C ATOM 961 CH2 TRP A 61 5.189 -5.399 -5.732 1.00 0.00 C ATOM 0 H TRP A 61 4.090 -4.634 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 61 4.500 -6.522 1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.046 -7.808 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.545 -7.739 -0.988 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.207 -6.743 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.756 -5.873 -3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.429 -6.468 -3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.310 -5.182 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.098 -5.695 -5.337 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.016 -5.066 -6.745 1.00 0.00 H new ATOM 972 N LYS A 62 7.037 -5.679 1.256 1.00 0.00 N ATOM 973 CA LYS A 62 8.233 -4.943 1.593 1.00 0.00 C ATOM 974 C LYS A 62 9.434 -5.722 1.156 1.00 0.00 C ATOM 975 O LYS A 62 9.477 -6.949 1.272 1.00 0.00 O ATOM 976 CB LYS A 62 8.335 -4.682 3.091 1.00 0.00 C ATOM 977 CG LYS A 62 7.280 -3.734 3.631 1.00 0.00 C ATOM 978 CD LYS A 62 7.571 -3.363 5.074 1.00 0.00 C ATOM 979 CE LYS A 62 7.610 -4.593 5.962 1.00 0.00 C ATOM 980 NZ LYS A 62 8.096 -4.275 7.331 1.00 0.00 N ATOM 0 H LYS A 62 7.073 -6.668 1.504 1.00 0.00 H new ATOM 0 HA LYS A 62 8.187 -3.982 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.259 -5.632 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.321 -4.273 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.248 -2.833 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.297 -4.200 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.525 -2.840 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.807 -2.675 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.612 -5.028 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.259 -5.345 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.108 -5.142 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.058 -3.884 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.463 -3.577 7.771 1.00 0.00 H new ATOM 994 N GLU A 63 10.392 -5.005 0.644 1.00 0.00 N ATOM 995 CA GLU A 63 11.656 -5.582 0.300 1.00 0.00 C ATOM 996 C GLU A 63 12.750 -4.739 0.913 1.00 0.00 C ATOM 997 O GLU A 63 12.927 -3.582 0.530 1.00 0.00 O ATOM 998 CB GLU A 63 11.864 -5.637 -1.209 1.00 0.00 C ATOM 999 CG GLU A 63 10.774 -6.346 -1.977 1.00 0.00 C ATOM 1000 CD GLU A 63 11.071 -6.403 -3.459 1.00 0.00 C ATOM 1001 OE1 GLU A 63 12.057 -7.061 -3.854 1.00 0.00 O ATOM 1002 OE2 GLU A 63 10.325 -5.787 -4.245 1.00 0.00 O ATOM 0 H GLU A 63 10.318 -4.006 0.454 1.00 0.00 H new ATOM 0 HA GLU A 63 11.681 -6.603 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.950 -4.618 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.813 -6.133 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.658 -7.359 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.825 -5.834 -1.817 1.00 0.00 H new ATOM 1009 N ILE A 64 13.467 -5.284 1.874 1.00 0.00 N ATOM 1010 CA ILE A 64 14.606 -4.572 2.415 1.00 0.00 C ATOM 1011 C ILE A 64 15.754 -4.758 1.468 1.00 0.00 C ATOM 1012 O ILE A 64 16.623 -5.607 1.675 1.00 0.00 O ATOM 1013 CB ILE A 64 15.037 -5.051 3.796 1.00 0.00 C ATOM 1014 CG1 ILE A 64 13.838 -5.122 4.748 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.133 -4.139 4.354 1.00 0.00 C ATOM 1016 CD1 ILE A 64 13.090 -3.814 4.897 1.00 0.00 C ATOM 0 H ILE A 64 13.287 -6.198 2.289 1.00 0.00 H new ATOM 0 HA ILE A 64 14.312 -3.528 2.526 1.00 0.00 H new ATOM 0 HB ILE A 64 15.444 -6.058 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.147 -5.885 4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.186 -5.444 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.432 -4.492 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.994 -4.155 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.754 -3.120 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.257 -3.948 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.764 -3.052 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.710 -3.500 3.925 1.00 0.00 H new ATOM 1028 N VAL A 65 15.709 -4.007 0.392 1.00 0.00 N ATOM 1029 CA VAL A 65 16.720 -4.103 -0.655 1.00 0.00 C ATOM 1030 C VAL A 65 16.866 -2.783 -1.388 1.00 0.00 C ATOM 1031 O VAL A 65 15.926 -1.991 -1.445 1.00 0.00 O ATOM 1032 CB VAL A 65 16.449 -5.219 -1.710 1.00 0.00 C ATOM 1033 CG1 VAL A 65 15.507 -6.297 -1.197 1.00 0.00 C ATOM 1034 CG2 VAL A 65 15.932 -4.628 -3.008 1.00 0.00 C ATOM 0 H VAL A 65 14.981 -3.316 0.211 1.00 0.00 H new ATOM 0 HA VAL A 65 17.638 -4.365 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 65 17.407 -5.702 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.355 -7.047 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.941 -6.770 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.549 -5.848 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.752 -5.428 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.001 -4.093 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.671 -3.937 -3.413 1.00 0.00 H new ATOM 1044 N ASP A 66 18.062 -2.595 -1.935 1.00 0.00 N ATOM 1045 CA ASP A 66 18.418 -1.487 -2.819 1.00 0.00 C ATOM 1046 C ASP A 66 19.926 -1.320 -2.775 1.00 0.00 C ATOM 1047 O ASP A 66 20.445 -0.356 -2.240 1.00 0.00 O ATOM 1048 CB ASP A 66 17.761 -0.180 -2.421 1.00 0.00 C ATOM 1049 CG ASP A 66 17.751 0.848 -3.540 1.00 0.00 C ATOM 1050 OD1 ASP A 66 16.859 0.763 -4.413 1.00 0.00 O ATOM 1051 OD2 ASP A 66 18.618 1.747 -3.551 1.00 0.00 O ATOM 0 H ASP A 66 18.840 -3.233 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 66 18.064 -1.726 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.736 -0.377 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.284 0.235 -1.559 1.00 0.00 H new ATOM 1056 N ALA A 67 20.615 -2.314 -3.283 1.00 0.00 N ATOM 1057 CA ALA A 67 22.075 -2.289 -3.330 1.00 0.00 C ATOM 1058 C ALA A 67 22.556 -1.107 -4.162 1.00 0.00 C ATOM 1059 O ALA A 67 22.043 -0.854 -5.256 1.00 0.00 O ATOM 1060 CB ALA A 67 22.631 -3.597 -3.858 1.00 0.00 C ATOM 0 H ALA A 67 20.195 -3.158 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 67 22.449 -2.166 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.720 -3.547 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.319 -4.414 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.255 -3.772 -4.866 1.00 0.00 H new ATOM 1066 N PRO A 68 23.548 -0.367 -3.646 1.00 0.00 N ATOM 1067 CA PRO A 68 23.917 0.939 -4.175 1.00 0.00 C ATOM 1068 C PRO A 68 24.587 0.934 -5.527 1.00 0.00 C ATOM 1069 O PRO A 68 25.552 0.217 -5.785 1.00 0.00 O ATOM 1070 CB PRO A 68 24.898 1.477 -3.161 1.00 0.00 C ATOM 1071 CG PRO A 68 25.509 0.261 -2.562 1.00 0.00 C ATOM 1072 CD PRO A 68 24.389 -0.737 -2.495 1.00 0.00 C ATOM 0 HA PRO A 68 23.010 1.525 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 68 25.650 2.110 -3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 24.398 2.084 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 68 26.333 -0.109 -3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 68 25.914 0.469 -1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 68 24.755 -1.761 -2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 68 23.841 -0.667 -1.555 1.00 0.00 H new ATOM 1080 N LYS A 69 24.033 1.750 -6.381 1.00 0.00 N ATOM 1081 CA LYS A 69 24.684 2.171 -7.598 1.00 0.00 C ATOM 1082 C LYS A 69 25.348 3.508 -7.325 1.00 0.00 C ATOM 1083 O LYS A 69 26.571 3.646 -7.366 1.00 0.00 O ATOM 1084 CB LYS A 69 23.672 2.320 -8.742 1.00 0.00 C ATOM 1085 CG LYS A 69 22.662 1.185 -8.834 1.00 0.00 C ATOM 1086 CD LYS A 69 23.331 -0.174 -8.744 1.00 0.00 C ATOM 1087 CE LYS A 69 24.319 -0.395 -9.881 1.00 0.00 C ATOM 1088 NZ LYS A 69 24.949 -1.736 -9.807 1.00 0.00 N ATOM 0 H LYS A 69 23.103 2.149 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 69 25.417 1.423 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.135 3.260 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 24.214 2.386 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.930 1.284 -8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.116 1.260 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 23.850 -0.261 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.571 -0.955 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.805 -0.287 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 69 25.092 0.373 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.616 -1.850 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.460 -1.830 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.213 -2.469 -9.866 1.00 0.00 H new ATOM 1102 N ASN A 70 24.504 4.484 -7.015 1.00 0.00 N ATOM 1103 CA ASN A 70 24.933 5.842 -6.733 1.00 0.00 C ATOM 1104 C ASN A 70 24.431 6.297 -5.356 1.00 0.00 C ATOM 1105 O ASN A 70 24.095 7.468 -5.166 1.00 0.00 O ATOM 1106 CB ASN A 70 24.421 6.785 -7.819 1.00 0.00 C ATOM 1107 CG ASN A 70 25.142 8.122 -7.834 1.00 0.00 C ATOM 1108 OD1 ASN A 70 26.436 8.105 -7.564 1.00 0.00 O flip ATOM 1109 ND2 ASN A 70 24.544 9.162 -8.107 1.00 0.00 N flip ATOM 0 H ASN A 70 23.495 4.351 -6.953 1.00 0.00 H new ATOM 0 HA ASN A 70 26.023 5.866 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 70 24.535 6.306 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.355 6.955 -7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.545 9.137 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 70 25.048 10.049 -8.130 1.00 0.00 H new ATOM 1116 N ARG A 71 24.348 5.376 -4.397 1.00 0.00 N ATOM 1117 CA ARG A 71 23.729 5.676 -3.105 1.00 0.00 C ATOM 1118 C ARG A 71 24.734 6.320 -2.152 1.00 0.00 C ATOM 1119 O ARG A 71 25.943 6.257 -2.375 1.00 0.00 O ATOM 1120 CB ARG A 71 23.184 4.395 -2.455 1.00 0.00 C ATOM 1121 CG ARG A 71 21.862 3.924 -3.018 1.00 0.00 C ATOM 1122 CD ARG A 71 21.608 2.468 -2.663 1.00 0.00 C ATOM 1123 NE ARG A 71 21.664 2.199 -1.227 1.00 0.00 N ATOM 1124 CZ ARG A 71 20.592 1.911 -0.499 1.00 0.00 C ATOM 1125 NH1 ARG A 71 19.388 2.027 -1.026 1.00 0.00 N ATOM 1126 NH2 ARG A 71 20.726 1.516 0.757 1.00 0.00 N ATOM 0 H ARG A 71 24.698 4.422 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 71 22.910 6.372 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 71 23.920 3.600 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.069 4.565 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 71 21.055 4.544 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.860 4.044 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.628 2.176 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 71 22.345 1.845 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 71 22.571 2.234 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.282 2.338 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.563 1.806 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.655 1.432 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.900 1.296 1.313 1.00 0.00 H new ATOM 1140 N PRO A 72 24.236 6.943 -1.074 1.00 0.00 N ATOM 1141 CA PRO A 72 25.071 7.483 0.003 1.00 0.00 C ATOM 1142 C PRO A 72 25.753 6.380 0.780 1.00 0.00 C ATOM 1143 O PRO A 72 25.327 5.226 0.751 1.00 0.00 O ATOM 1144 CB PRO A 72 24.073 8.220 0.910 1.00 0.00 C ATOM 1145 CG PRO A 72 22.831 8.355 0.103 1.00 0.00 C ATOM 1146 CD PRO A 72 22.814 7.173 -0.812 1.00 0.00 C ATOM 0 HA PRO A 72 25.866 8.123 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.887 7.660 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.458 9.196 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.948 8.368 0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 72 22.830 9.287 -0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 72 22.344 6.307 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.262 7.380 -1.729 1.00 0.00 H new ATOM 1154 N ALA A 73 26.803 6.745 1.474 1.00 0.00 N ATOM 1155 CA ALA A 73 27.571 5.804 2.256 1.00 0.00 C ATOM 1156 C ALA A 73 26.718 5.187 3.361 1.00 0.00 C ATOM 1157 O ALA A 73 26.676 3.965 3.519 1.00 0.00 O ATOM 1158 CB ALA A 73 28.774 6.519 2.822 1.00 0.00 C ATOM 0 H ALA A 73 27.150 7.703 1.513 1.00 0.00 H new ATOM 0 HA ALA A 73 27.905 4.983 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 73 29.365 5.822 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 73 29.383 6.908 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 73 28.443 7.344 3.453 1.00 0.00 H new ATOM 1164 N TRP A 74 26.038 6.039 4.124 1.00 0.00 N ATOM 1165 CA TRP A 74 25.117 5.580 5.162 1.00 0.00 C ATOM 1166 C TRP A 74 23.986 4.719 4.595 1.00 0.00 C ATOM 1167 O TRP A 74 23.360 3.957 5.331 1.00 0.00 O ATOM 1168 CB TRP A 74 24.524 6.778 5.917 1.00 0.00 C ATOM 1169 CG TRP A 74 23.688 7.677 5.055 1.00 0.00 C ATOM 1170 CD1 TRP A 74 24.086 8.833 4.451 1.00 0.00 C ATOM 1171 CD2 TRP A 74 22.313 7.486 4.690 1.00 0.00 C ATOM 1172 NE1 TRP A 74 23.046 9.375 3.741 1.00 0.00 N ATOM 1173 CE2 TRP A 74 21.950 8.566 3.870 1.00 0.00 C ATOM 1174 CE3 TRP A 74 21.354 6.507 4.979 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 20.676 8.692 3.332 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 20.091 6.632 4.443 1.00 0.00 C ATOM 1177 CH2 TRP A 74 19.761 7.716 3.629 1.00 0.00 C ATOM 0 H TRP A 74 26.107 7.053 4.043 1.00 0.00 H new ATOM 0 HA TRP A 74 25.694 4.960 5.848 1.00 0.00 H new ATOM 0 HB2 TRP A 74 23.915 6.411 6.743 1.00 0.00 H new ATOM 0 HB3 TRP A 74 25.336 7.359 6.354 1.00 0.00 H new ATOM 0 HD1 TRP A 74 25.076 9.259 4.522 1.00 0.00 H new ATOM 0 HE1 TRP A 74 23.083 10.241 3.204 1.00 0.00 H new ATOM 0 HE3 TRP A 74 21.601 5.667 5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 20.416 9.530 2.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 19.346 5.880 4.656 1.00 0.00 H new ATOM 0 HH2 TRP A 74 18.762 7.788 3.224 1.00 0.00 H new ATOM 1188 N MET A 75 23.720 4.832 3.297 1.00 0.00 N ATOM 1189 CA MET A 75 22.652 4.056 2.695 1.00 0.00 C ATOM 1190 C MET A 75 23.241 2.729 2.206 1.00 0.00 C ATOM 1191 O MET A 75 24.015 2.704 1.256 1.00 0.00 O ATOM 1192 CB MET A 75 21.994 4.822 1.544 1.00 0.00 C ATOM 1193 CG MET A 75 20.507 4.522 1.418 1.00 0.00 C ATOM 1194 SD MET A 75 19.761 5.141 -0.108 1.00 0.00 S ATOM 1195 CE MET A 75 19.449 6.853 0.303 1.00 0.00 C ATOM 0 H MET A 75 24.223 5.444 2.654 1.00 0.00 H new ATOM 0 HA MET A 75 21.874 3.866 3.434 1.00 0.00 H new ATOM 0 HB2 MET A 75 22.134 5.892 1.697 1.00 0.00 H new ATOM 0 HB3 MET A 75 22.493 4.566 0.609 1.00 0.00 H new ATOM 0 HG2 MET A 75 20.358 3.444 1.472 1.00 0.00 H new ATOM 0 HG3 MET A 75 19.985 4.959 2.269 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.421 7.447 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 75 18.492 6.935 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 75 20.244 7.222 0.951 1.00 0.00 H new ATOM 1205 N PRO A 76 22.865 1.611 2.862 1.00 0.00 N ATOM 1206 CA PRO A 76 23.484 0.276 2.659 1.00 0.00 C ATOM 1207 C PRO A 76 23.275 -0.335 1.257 1.00 0.00 C ATOM 1208 O PRO A 76 23.375 0.348 0.245 1.00 0.00 O ATOM 1209 CB PRO A 76 22.795 -0.589 3.720 1.00 0.00 C ATOM 1210 CG PRO A 76 22.199 0.361 4.691 1.00 0.00 C ATOM 1211 CD PRO A 76 21.812 1.560 3.889 1.00 0.00 C ATOM 0 HA PRO A 76 24.569 0.343 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.029 -1.222 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.509 -1.251 4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 76 21.332 -0.076 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 76 22.913 0.624 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 76 20.821 1.451 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 76 21.793 2.465 4.496 1.00 0.00 H new ATOM 1219 N GLU A 77 22.946 -1.627 1.221 1.00 0.00 N ATOM 1220 CA GLU A 77 22.823 -2.396 -0.015 1.00 0.00 C ATOM 1221 C GLU A 77 21.393 -2.843 -0.097 1.00 0.00 C ATOM 1222 O GLU A 77 21.005 -3.693 -0.895 1.00 0.00 O ATOM 1223 CB GLU A 77 23.717 -3.622 0.050 1.00 0.00 C ATOM 1224 CG GLU A 77 25.125 -3.328 0.537 1.00 0.00 C ATOM 1225 CD GLU A 77 25.790 -4.548 1.125 1.00 0.00 C ATOM 1226 OE1 GLU A 77 25.105 -5.316 1.835 1.00 0.00 O ATOM 1227 OE2 GLU A 77 26.997 -4.736 0.901 1.00 0.00 O ATOM 0 H GLU A 77 22.755 -2.174 2.060 1.00 0.00 H new ATOM 0 HA GLU A 77 23.113 -1.797 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 77 23.260 -4.359 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.772 -4.073 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 77 25.724 -2.954 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 77 25.091 -2.538 1.287 1.00 0.00 H new ATOM 1234 N LYS A 78 20.639 -2.297 0.818 1.00 0.00 N ATOM 1235 CA LYS A 78 19.246 -2.538 0.932 1.00 0.00 C ATOM 1236 C LYS A 78 18.674 -1.389 1.747 1.00 0.00 C ATOM 1237 O LYS A 78 19.446 -0.606 2.302 1.00 0.00 O ATOM 1238 CB LYS A 78 18.944 -3.882 1.597 1.00 0.00 C ATOM 1239 CG LYS A 78 19.786 -4.200 2.819 1.00 0.00 C ATOM 1240 CD LYS A 78 21.112 -4.797 2.407 1.00 0.00 C ATOM 1241 CE LYS A 78 20.941 -6.198 1.845 1.00 0.00 C ATOM 1242 NZ LYS A 78 22.236 -6.797 1.426 1.00 0.00 N ATOM 0 H LYS A 78 20.999 -1.653 1.522 1.00 0.00 H new ATOM 0 HA LYS A 78 18.792 -2.590 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.893 -3.899 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.086 -4.674 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.954 -3.292 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.252 -4.897 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 78 21.583 -4.159 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.781 -4.828 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.474 -6.835 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.265 -6.165 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 22.313 -7.761 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.282 -6.832 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.020 -6.217 1.788 1.00 0.00 H new ATOM 1256 N ILE A 79 17.364 -1.273 1.811 1.00 0.00 N ATOM 1257 CA ILE A 79 16.708 -0.355 2.745 1.00 0.00 C ATOM 1258 C ILE A 79 15.258 -0.733 2.896 1.00 0.00 C ATOM 1259 O ILE A 79 14.722 -1.504 2.100 1.00 0.00 O ATOM 1260 CB ILE A 79 16.785 1.153 2.356 1.00 0.00 C ATOM 1261 CG1 ILE A 79 16.953 1.373 0.850 1.00 0.00 C ATOM 1262 CG2 ILE A 79 17.904 1.851 3.115 1.00 0.00 C ATOM 1263 CD1 ILE A 79 15.893 0.718 -0.002 1.00 0.00 C ATOM 0 H ILE A 79 16.720 -1.804 1.225 1.00 0.00 H new ATOM 0 HA ILE A 79 17.260 -0.461 3.679 1.00 0.00 H new ATOM 0 HB ILE A 79 15.828 1.592 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.951 2.444 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 79 17.929 0.994 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.938 2.902 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.720 1.774 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.856 1.378 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.091 0.926 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.907 -0.359 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.914 1.113 0.268 1.00 0.00 H new ATOM 1275 N SER A 80 14.637 -0.203 3.926 1.00 0.00 N ATOM 1276 CA SER A 80 13.233 -0.456 4.162 1.00 0.00 C ATOM 1277 C SER A 80 12.369 0.133 3.057 1.00 0.00 C ATOM 1278 O SER A 80 12.320 1.347 2.849 1.00 0.00 O ATOM 1279 CB SER A 80 12.801 0.106 5.502 1.00 0.00 C ATOM 1280 OG SER A 80 13.443 -0.559 6.579 1.00 0.00 O ATOM 0 H SER A 80 15.082 0.406 4.613 1.00 0.00 H new ATOM 0 HA SER A 80 13.096 -1.537 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.031 1.171 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.720 0.009 5.606 1.00 0.00 H new ATOM 0 HG SER A 80 13.144 -0.171 7.428 1.00 0.00 H new ATOM 1286 N LYS A 81 11.677 -0.761 2.382 1.00 0.00 N ATOM 1287 CA LYS A 81 10.830 -0.382 1.271 1.00 0.00 C ATOM 1288 C LYS A 81 9.558 -1.181 1.229 1.00 0.00 C ATOM 1289 O LYS A 81 9.572 -2.386 0.999 1.00 0.00 O ATOM 1290 CB LYS A 81 11.540 -0.518 -0.066 1.00 0.00 C ATOM 1291 CG LYS A 81 11.739 0.808 -0.781 1.00 0.00 C ATOM 1292 CD LYS A 81 12.820 1.646 -0.133 1.00 0.00 C ATOM 1293 CE LYS A 81 13.111 2.901 -0.938 1.00 0.00 C ATOM 1294 NZ LYS A 81 11.987 3.876 -0.872 1.00 0.00 N ATOM 0 H LYS A 81 11.685 -1.761 2.585 1.00 0.00 H new ATOM 0 HA LYS A 81 10.585 0.667 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.511 -0.986 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.965 -1.186 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.000 0.622 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.801 1.364 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.512 1.923 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.731 1.055 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.021 3.370 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.297 2.631 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.232 4.725 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.128 3.443 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.815 4.141 0.119 1.00 0.00 H new ATOM 1308 N PRO A 82 8.443 -0.508 1.469 1.00 0.00 N ATOM 1309 CA PRO A 82 7.130 -1.041 1.220 1.00 0.00 C ATOM 1310 C PRO A 82 6.743 -0.766 -0.230 1.00 0.00 C ATOM 1311 O PRO A 82 6.769 0.383 -0.679 1.00 0.00 O ATOM 1312 CB PRO A 82 6.238 -0.272 2.211 1.00 0.00 C ATOM 1313 CG PRO A 82 7.121 0.752 2.857 1.00 0.00 C ATOM 1314 CD PRO A 82 8.361 0.841 2.015 1.00 0.00 C ATOM 0 HA PRO A 82 7.048 -2.119 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.403 0.203 1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.812 -0.945 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.619 1.718 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.366 0.463 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.272 1.595 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.240 1.098 2.606 1.00 0.00 H new ATOM 1322 N PHE A 83 6.399 -1.805 -0.962 1.00 0.00 N ATOM 1323 CA PHE A 83 6.135 -1.696 -2.379 1.00 0.00 C ATOM 1324 C PHE A 83 4.717 -2.158 -2.622 1.00 0.00 C ATOM 1325 O PHE A 83 4.307 -3.182 -2.074 1.00 0.00 O ATOM 1326 CB PHE A 83 7.077 -2.597 -3.179 1.00 0.00 C ATOM 1327 CG PHE A 83 8.528 -2.218 -3.141 1.00 0.00 C ATOM 1328 CD1 PHE A 83 9.005 -1.162 -3.902 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.423 -2.938 -2.364 1.00 0.00 C ATOM 1330 CE1 PHE A 83 10.345 -0.830 -3.885 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.758 -2.615 -2.350 1.00 0.00 C ATOM 1332 CZ PHE A 83 11.224 -1.560 -3.110 1.00 0.00 C ATOM 0 H PHE A 83 6.295 -2.749 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 83 6.284 -0.663 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.977 -3.617 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.749 -2.603 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.321 -0.593 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.066 -3.762 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.705 -0.001 -4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.445 -3.187 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.274 -1.307 -3.098 1.00 0.00 H new ATOM 1342 N VAL A 84 3.948 -1.432 -3.413 1.00 0.00 N ATOM 1343 CA VAL A 84 2.589 -1.844 -3.685 1.00 0.00 C ATOM 1344 C VAL A 84 2.265 -1.623 -5.152 1.00 0.00 C ATOM 1345 O VAL A 84 2.623 -0.593 -5.733 1.00 0.00 O ATOM 1346 CB VAL A 84 1.551 -1.073 -2.847 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.326 -1.908 -2.632 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.112 -0.638 -1.520 1.00 0.00 C ATOM 0 H VAL A 84 4.238 -0.568 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 84 2.529 -2.899 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 84 1.285 -0.177 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.396 -1.348 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.115 -2.162 -3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.597 -2.823 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.348 -0.098 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.425 -1.514 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.970 0.014 -1.684 1.00 0.00 H new ATOM 1358 N LYS A 85 1.591 -2.589 -5.735 1.00 0.00 N ATOM 1359 CA LYS A 85 1.071 -2.480 -7.090 1.00 0.00 C ATOM 1360 C LYS A 85 -0.416 -2.702 -6.984 1.00 0.00 C ATOM 1361 O LYS A 85 -0.843 -3.361 -6.036 1.00 0.00 O ATOM 1362 CB LYS A 85 1.665 -3.562 -7.998 1.00 0.00 C ATOM 1363 CG LYS A 85 1.095 -4.947 -7.709 1.00 0.00 C ATOM 1364 CD LYS A 85 1.359 -5.932 -8.836 1.00 0.00 C ATOM 1365 CE LYS A 85 0.600 -7.234 -8.611 1.00 0.00 C ATOM 1366 NZ LYS A 85 0.799 -8.203 -9.719 1.00 0.00 N ATOM 0 H LYS A 85 1.384 -3.480 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 85 1.324 -1.510 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.472 -3.304 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.747 -3.585 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.531 -5.330 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.020 -4.867 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.059 -5.491 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.428 -6.136 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.927 -7.685 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.463 -7.018 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.263 -9.072 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.463 -7.785 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.810 -8.431 -9.803 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.242 -2.201 -7.888 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.656 -2.469 -7.797 1.00 0.00 C ATOM 1382 C LYS A 86 -3.015 -3.587 -8.759 1.00 0.00 C ATOM 1383 O LYS A 86 -2.764 -3.482 -9.960 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.415 -1.190 -8.159 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.924 -1.308 -8.110 1.00 0.00 C ATOM 1386 CD LYS A 86 -5.579 -0.276 -9.017 1.00 0.00 C ATOM 1387 CE LYS A 86 -5.160 1.143 -8.664 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.624 2.128 -9.678 1.00 0.00 N ATOM 0 H LYS A 86 -0.960 -1.618 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.925 -2.777 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.105 -0.396 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.122 -0.883 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.225 -2.310 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.271 -1.170 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.314 -0.485 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.663 -0.363 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.566 1.409 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.074 1.191 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.318 3.082 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.217 1.890 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.662 2.101 -9.739 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.605 -4.652 -8.245 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.868 -5.818 -9.075 1.00 0.00 C ATOM 1404 C GLU A 87 -5.229 -5.713 -9.754 1.00 0.00 C ATOM 1405 O GLU A 87 -5.501 -6.441 -10.709 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.787 -7.112 -8.260 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.908 -7.281 -7.245 1.00 0.00 C ATOM 1408 CD GLU A 87 -5.303 -8.736 -7.053 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -4.575 -9.474 -6.363 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -6.341 -9.154 -7.616 1.00 0.00 O ATOM 0 H GLU A 87 -3.907 -4.736 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.096 -5.847 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.800 -7.960 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.831 -7.139 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.594 -6.864 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.778 -6.711 -7.571 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.058 -4.774 -9.294 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.434 -4.635 -9.768 1.00 0.00 C ATOM 1419 C ARG A 88 -8.136 -3.573 -8.939 1.00 0.00 C ATOM 1420 O ARG A 88 -7.503 -2.888 -8.138 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.195 -5.968 -9.676 1.00 0.00 C ATOM 1422 CG ARG A 88 -8.513 -6.403 -8.258 1.00 0.00 C ATOM 1423 CD ARG A 88 -9.200 -7.754 -8.235 1.00 0.00 C ATOM 1424 NE ARG A 88 -9.987 -7.940 -7.019 1.00 0.00 N ATOM 1425 CZ ARG A 88 -9.694 -8.817 -6.062 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -8.564 -9.512 -6.107 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -10.516 -8.973 -5.038 1.00 0.00 N ATOM 0 H ARG A 88 -5.794 -4.091 -8.584 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.416 -4.338 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.126 -5.882 -10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.604 -6.746 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.593 -6.451 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.153 -5.660 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.849 -7.847 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.452 -8.544 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.816 -7.359 -6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.912 -9.376 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.348 -10.182 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.372 -8.422 -4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.294 -9.645 -4.303 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.427 -3.426 -9.145 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.205 -2.436 -8.426 1.00 0.00 C ATOM 1443 C ILE A 89 -11.554 -3.022 -8.018 1.00 0.00 C ATOM 1444 O ILE A 89 -12.218 -3.690 -8.813 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.403 -1.169 -9.291 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -9.124 -0.327 -9.323 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -11.564 -0.328 -8.780 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.855 0.426 -8.034 1.00 0.00 C ATOM 0 H ILE A 89 -9.965 -3.983 -9.809 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.661 -2.153 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.635 -1.497 -10.304 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.276 -0.978 -9.536 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.191 0.388 -10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.678 0.555 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.481 -0.916 -8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.366 -0.020 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.933 0.999 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.684 1.104 -7.829 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.755 -0.283 -7.212 1.00 0.00 H new ATOM 1460 N GLU A 90 -11.951 -2.757 -6.784 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.194 -3.276 -6.241 1.00 0.00 C ATOM 1462 C GLU A 90 -14.207 -2.143 -6.143 1.00 0.00 C ATOM 1463 O GLU A 90 -13.880 -0.986 -6.403 1.00 0.00 O ATOM 1464 CB GLU A 90 -12.951 -3.894 -4.867 1.00 0.00 C ATOM 1465 CG GLU A 90 -11.880 -4.971 -4.861 1.00 0.00 C ATOM 1466 CD GLU A 90 -12.290 -6.235 -5.587 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -12.220 -6.268 -6.830 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -12.649 -7.220 -4.915 1.00 0.00 O ATOM 0 H GLU A 90 -11.422 -2.177 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.584 -4.052 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.665 -3.106 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.885 -4.321 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.975 -4.575 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.631 -5.219 -3.829 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.427 -2.461 -5.762 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.489 -1.468 -5.764 1.00 0.00 C ATOM 1477 C LYS A 91 -17.190 -1.363 -4.412 1.00 0.00 C ATOM 1478 O LYS A 91 -17.404 -2.363 -3.722 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.514 -1.805 -6.857 1.00 0.00 C ATOM 1480 CG LYS A 91 -18.365 -3.042 -6.571 1.00 0.00 C ATOM 1481 CD LYS A 91 -17.577 -4.337 -6.729 1.00 0.00 C ATOM 1482 CE LYS A 91 -17.212 -4.592 -8.182 1.00 0.00 C ATOM 1483 NZ LYS A 91 -18.408 -4.898 -9.007 1.00 0.00 N ATOM 0 H LYS A 91 -15.709 -3.390 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.029 -0.501 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.175 -0.949 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.986 -1.953 -7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.760 -2.982 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -19.221 -3.055 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.669 -4.288 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.166 -5.172 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.705 -3.717 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.509 -5.423 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.107 -5.278 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.997 -5.602 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.959 -4.029 -9.155 1.00 0.00 H new