USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 12 LYS NZ :NH3+ -121:sc= 0.222 (180deg=0) USER MOD Set 1.2: A 28 ASN : amide:sc= 0.224 K(o=0.45,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0677 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.059 F(o=-0.93,f=-0.059) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -5.75! C(o=-5.8!,f=-7.8!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0897) USER MOD Single : A 31 SER OG : rot -48:sc= -0.642 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -3:sc= 0.47 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 178:sc= -0.925 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0709 (180deg=-0.383) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.06 F(o=-0.8,f=-0.06) USER MOD Single : A 75 TYR OH : rot 162:sc= 1.25 USER MOD Single : A 77 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.516 K(o=-0.52,f=-1.6) USER MOD Single : A 80 GLN : amide:sc= 0.159 X(o=0.16,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.144 1.652 -1.083 1.00 14.42 N ATOM 2 CA GLY A 1 1.222 1.056 -1.850 1.00 11.34 C ATOM 3 C GLY A 1 2.407 1.989 -2.005 1.00 72.24 C ATOM 4 O GLY A 1 2.322 3.171 -1.673 1.00 2.34 O ATOM 0 H1 GLY A 1 0.208 1.340 -0.093 1.00 14.42 H new ATOM 0 H2 GLY A 1 0.220 2.688 -1.125 1.00 14.42 H new ATOM 0 H3 GLY A 1 -0.770 1.356 -1.481 1.00 14.42 H new ATOM 0 HA2 GLY A 1 1.548 0.138 -1.361 1.00 11.34 H new ATOM 0 HA3 GLY A 1 0.851 0.777 -2.836 1.00 11.34 H new ATOM 8 N ILE A 2 3.514 1.456 -2.511 1.00 2.30 N ATOM 9 CA ILE A 2 4.721 2.249 -2.709 1.00 50.42 C ATOM 10 C ILE A 2 4.649 3.044 -4.009 1.00 2.13 C ATOM 11 O ILE A 2 4.293 2.523 -5.065 1.00 72.55 O ATOM 12 CB ILE A 2 5.980 1.363 -2.732 1.00 30.33 C ATOM 13 CG1 ILE A 2 6.075 0.542 -1.444 1.00 62.30 C ATOM 14 CG2 ILE A 2 7.226 2.216 -2.915 1.00 52.34 C ATOM 15 CD1 ILE A 2 6.095 1.386 -0.189 1.00 40.12 C ATOM 0 H ILE A 2 3.600 0.479 -2.791 1.00 2.30 H new ATOM 0 HA ILE A 2 4.787 2.938 -1.867 1.00 50.42 H new ATOM 0 HB ILE A 2 5.907 0.676 -3.575 1.00 30.33 H new ATOM 0 HG12 ILE A 2 5.229 -0.144 -1.397 1.00 62.30 H new ATOM 0 HG13 ILE A 2 6.978 -0.067 -1.477 1.00 62.30 H new ATOM 0 HG21 ILE A 2 8.107 1.575 -2.929 1.00 52.34 H new ATOM 0 HG22 ILE A 2 7.159 2.761 -3.857 1.00 52.34 H new ATOM 0 HG23 ILE A 2 7.306 2.925 -2.091 1.00 52.34 H new ATOM 0 HD11 ILE A 2 6.163 0.738 0.684 1.00 40.12 H new ATOM 0 HD12 ILE A 2 6.956 2.054 -0.213 1.00 40.12 H new ATOM 0 HD13 ILE A 2 5.180 1.976 -0.132 1.00 40.12 H new ATOM 27 N PRO A 3 4.998 4.337 -3.932 1.00 15.05 N ATOM 28 CA PRO A 3 4.983 5.231 -5.093 1.00 3.40 C ATOM 29 C PRO A 3 6.080 4.895 -6.097 1.00 60.44 C ATOM 30 O PRO A 3 6.932 4.043 -5.840 1.00 3.55 O ATOM 31 CB PRO A 3 5.225 6.613 -4.480 1.00 25.12 C ATOM 32 CG PRO A 3 5.956 6.341 -3.210 1.00 43.14 C ATOM 33 CD PRO A 3 5.433 5.025 -2.705 1.00 14.44 C ATOM 0 HA PRO A 3 4.051 5.155 -5.654 1.00 3.40 H new ATOM 0 HB2 PRO A 3 5.812 7.245 -5.147 1.00 25.12 H new ATOM 0 HB3 PRO A 3 4.286 7.133 -4.293 1.00 25.12 H new ATOM 0 HG2 PRO A 3 7.031 6.294 -3.381 1.00 43.14 H new ATOM 0 HG3 PRO A 3 5.784 7.134 -2.483 1.00 43.14 H new ATOM 0 HD2 PRO A 3 6.204 4.461 -2.180 1.00 14.44 H new ATOM 0 HD3 PRO A 3 4.607 5.162 -2.007 1.00 14.44 H new ATOM 41 N LEU A 4 6.054 5.567 -7.243 1.00 13.34 N ATOM 42 CA LEU A 4 7.047 5.340 -8.287 1.00 31.44 C ATOM 43 C LEU A 4 8.227 6.294 -8.133 1.00 20.31 C ATOM 44 O LEU A 4 8.680 6.898 -9.105 1.00 23.02 O ATOM 45 CB LEU A 4 6.413 5.513 -9.668 1.00 13.22 C ATOM 46 CG LEU A 4 4.916 5.214 -9.762 1.00 21.24 C ATOM 47 CD1 LEU A 4 4.105 6.491 -9.603 1.00 64.33 C ATOM 48 CD2 LEU A 4 4.590 4.533 -11.083 1.00 42.31 C ATOM 0 H LEU A 4 5.355 6.274 -7.473 1.00 13.34 H new ATOM 0 HA LEU A 4 7.414 4.319 -8.188 1.00 31.44 H new ATOM 0 HB2 LEU A 4 6.579 6.539 -9.996 1.00 13.22 H new ATOM 0 HB3 LEU A 4 6.937 4.865 -10.370 1.00 13.22 H new ATOM 0 HG LEU A 4 4.649 4.536 -8.951 1.00 21.24 H new ATOM 0 HD11 LEU A 4 3.042 6.258 -9.673 1.00 64.33 H new ATOM 0 HD12 LEU A 4 4.316 6.937 -8.631 1.00 64.33 H new ATOM 0 HD13 LEU A 4 4.375 7.194 -10.391 1.00 64.33 H new ATOM 0 HD21 LEU A 4 3.521 4.328 -11.132 1.00 42.31 H new ATOM 0 HD22 LEU A 4 4.873 5.186 -11.909 1.00 42.31 H new ATOM 0 HD23 LEU A 4 5.143 3.596 -11.156 1.00 42.31 H new ATOM 60 N SER A 5 8.721 6.422 -6.906 1.00 4.32 N ATOM 61 CA SER A 5 9.848 7.304 -6.624 1.00 63.12 C ATOM 62 C SER A 5 10.816 6.652 -5.642 1.00 22.52 C ATOM 63 O SER A 5 12.032 6.722 -5.813 1.00 4.24 O ATOM 64 CB SER A 5 9.352 8.636 -6.060 1.00 11.43 C ATOM 65 OG SER A 5 8.530 9.312 -6.996 1.00 4.52 O ATOM 0 H SER A 5 8.359 5.926 -6.091 1.00 4.32 H new ATOM 0 HA SER A 5 10.376 7.488 -7.560 1.00 63.12 H new ATOM 0 HB2 SER A 5 8.793 8.460 -5.141 1.00 11.43 H new ATOM 0 HB3 SER A 5 10.204 9.264 -5.799 1.00 11.43 H new ATOM 0 HG SER A 5 8.225 10.160 -6.611 1.00 4.52 H new ATOM 71 N ASN A 6 10.266 6.016 -4.612 1.00 51.13 N ATOM 72 CA ASN A 6 11.080 5.351 -3.601 1.00 75.01 C ATOM 73 C ASN A 6 11.931 4.250 -4.226 1.00 43.30 C ATOM 74 O ASN A 6 13.155 4.247 -4.091 1.00 63.05 O ATOM 75 CB ASN A 6 10.188 4.762 -2.506 1.00 22.20 C ATOM 76 CG ASN A 6 10.976 4.358 -1.274 1.00 53.53 C ATOM 77 OD1 ASN A 6 11.739 3.278 -1.388 1.00 52.44 O flip ATOM 78 ND2 ASN A 6 10.899 5.011 -0.233 1.00 33.42 N flip ATOM 0 H ASN A 6 9.260 5.947 -4.456 1.00 51.13 H new ATOM 0 HA ASN A 6 11.745 6.093 -3.159 1.00 75.01 H new ATOM 0 HB2 ASN A 6 9.430 5.494 -2.226 1.00 22.20 H new ATOM 0 HB3 ASN A 6 9.661 3.892 -2.899 1.00 22.20 H new ATOM 0 HD21 ASN A 6 10.299 5.835 -0.191 1.00 33.42 H new ATOM 0 HD22 ASN A 6 11.435 4.728 0.587 1.00 33.42 H new ATOM 85 N ILE A 7 11.276 3.318 -4.910 1.00 14.45 N ATOM 86 CA ILE A 7 11.973 2.214 -5.556 1.00 73.15 C ATOM 87 C ILE A 7 13.077 2.724 -6.476 1.00 70.01 C ATOM 88 O ILE A 7 14.178 2.176 -6.502 1.00 63.02 O ATOM 89 CB ILE A 7 11.004 1.338 -6.373 1.00 21.22 C ATOM 90 CG1 ILE A 7 10.007 0.641 -5.445 1.00 20.21 C ATOM 91 CG2 ILE A 7 11.777 0.315 -7.192 1.00 43.53 C ATOM 92 CD1 ILE A 7 8.601 0.588 -5.999 1.00 54.33 C ATOM 0 H ILE A 7 10.263 3.306 -5.031 1.00 14.45 H new ATOM 0 HA ILE A 7 12.414 1.611 -4.762 1.00 73.15 H new ATOM 0 HB ILE A 7 10.448 1.978 -7.058 1.00 21.22 H new ATOM 0 HG12 ILE A 7 10.351 -0.375 -5.252 1.00 20.21 H new ATOM 0 HG13 ILE A 7 9.992 1.159 -4.486 1.00 20.21 H new ATOM 0 HG21 ILE A 7 11.079 -0.296 -7.764 1.00 43.53 H new ATOM 0 HG22 ILE A 7 12.451 0.831 -7.876 1.00 43.53 H new ATOM 0 HG23 ILE A 7 12.356 -0.323 -6.524 1.00 43.53 H new ATOM 0 HD11 ILE A 7 7.949 0.080 -5.288 1.00 54.33 H new ATOM 0 HD12 ILE A 7 8.237 1.602 -6.165 1.00 54.33 H new ATOM 0 HD13 ILE A 7 8.602 0.044 -6.943 1.00 54.33 H new ATOM 104 N GLU A 8 12.774 3.778 -7.228 1.00 31.31 N ATOM 105 CA GLU A 8 13.742 4.362 -8.148 1.00 41.33 C ATOM 106 C GLU A 8 15.057 4.665 -7.435 1.00 71.21 C ATOM 107 O GLU A 8 16.121 4.215 -7.858 1.00 22.45 O ATOM 108 CB GLU A 8 13.180 5.643 -8.769 1.00 71.35 C ATOM 109 CG GLU A 8 11.991 5.404 -9.685 1.00 34.15 C ATOM 110 CD GLU A 8 12.405 5.084 -11.108 1.00 15.51 C ATOM 111 OE1 GLU A 8 13.587 4.745 -11.320 1.00 61.34 O ATOM 112 OE2 GLU A 8 11.545 5.174 -12.009 1.00 52.44 O ATOM 0 H GLU A 8 11.867 4.244 -7.218 1.00 31.31 H new ATOM 0 HA GLU A 8 13.936 3.637 -8.939 1.00 41.33 H new ATOM 0 HB2 GLU A 8 12.882 6.323 -7.971 1.00 71.35 H new ATOM 0 HB3 GLU A 8 13.969 6.140 -9.334 1.00 71.35 H new ATOM 0 HG2 GLU A 8 11.393 4.582 -9.291 1.00 34.15 H new ATOM 0 HG3 GLU A 8 11.355 6.289 -9.686 1.00 34.15 H new ATOM 119 N GLU A 9 14.973 5.431 -6.352 1.00 2.10 N ATOM 120 CA GLU A 9 16.156 5.795 -5.581 1.00 63.12 C ATOM 121 C GLU A 9 16.813 4.557 -4.976 1.00 43.54 C ATOM 122 O GLU A 9 18.038 4.475 -4.882 1.00 1.50 O ATOM 123 CB GLU A 9 15.786 6.783 -4.473 1.00 23.32 C ATOM 124 CG GLU A 9 16.925 7.071 -3.510 1.00 5.43 C ATOM 125 CD GLU A 9 18.122 7.702 -4.194 1.00 45.22 C ATOM 126 OE1 GLU A 9 17.919 8.453 -5.171 1.00 73.14 O ATOM 127 OE2 GLU A 9 19.262 7.445 -3.754 1.00 2.44 O ATOM 0 H GLU A 9 14.099 5.811 -5.989 1.00 2.10 H new ATOM 0 HA GLU A 9 16.867 6.269 -6.257 1.00 63.12 H new ATOM 0 HB2 GLU A 9 15.459 7.719 -4.926 1.00 23.32 H new ATOM 0 HB3 GLU A 9 14.939 6.387 -3.913 1.00 23.32 H new ATOM 0 HG2 GLU A 9 16.570 7.735 -2.722 1.00 5.43 H new ATOM 0 HG3 GLU A 9 17.233 6.142 -3.030 1.00 5.43 H new ATOM 134 N ARG A 10 15.990 3.598 -4.568 1.00 30.42 N ATOM 135 CA ARG A 10 16.490 2.365 -3.970 1.00 50.34 C ATOM 136 C ARG A 10 17.307 1.564 -4.980 1.00 1.22 C ATOM 137 O ARG A 10 18.513 1.380 -4.812 1.00 53.01 O ATOM 138 CB ARG A 10 15.328 1.517 -3.451 1.00 74.01 C ATOM 139 CG ARG A 10 15.768 0.328 -2.614 1.00 22.44 C ATOM 140 CD ARG A 10 16.430 0.773 -1.319 1.00 22.41 C ATOM 141 NE ARG A 10 15.635 0.417 -0.147 1.00 15.20 N ATOM 142 CZ ARG A 10 15.830 0.938 1.059 1.00 32.14 C ATOM 143 NH1 ARG A 10 16.789 1.833 1.251 1.00 21.24 N ATOM 144 NH2 ARG A 10 15.064 0.564 2.077 1.00 62.04 N ATOM 0 H ARG A 10 14.974 3.650 -4.640 1.00 30.42 H new ATOM 0 HA ARG A 10 17.137 2.632 -3.135 1.00 50.34 H new ATOM 0 HB2 ARG A 10 14.668 2.147 -2.854 1.00 74.01 H new ATOM 0 HB3 ARG A 10 14.745 1.158 -4.299 1.00 74.01 H new ATOM 0 HG2 ARG A 10 14.905 -0.298 -2.386 1.00 22.44 H new ATOM 0 HG3 ARG A 10 16.463 -0.285 -3.188 1.00 22.44 H new ATOM 0 HD2 ARG A 10 17.416 0.316 -1.240 1.00 22.41 H new ATOM 0 HD3 ARG A 10 16.580 1.852 -1.341 1.00 22.41 H new ATOM 0 HE ARG A 10 14.889 -0.269 -0.261 1.00 15.20 H new ATOM 0 HH11 ARG A 10 17.379 2.123 0.471 1.00 21.24 H new ATOM 0 HH12 ARG A 10 16.936 2.231 2.178 1.00 21.24 H new ATOM 0 HH21 ARG A 10 14.325 -0.124 1.933 1.00 62.04 H new ATOM 0 HH22 ARG A 10 15.215 0.965 3.003 1.00 62.04 H new ATOM 158 N VAL A 11 16.642 1.090 -6.028 1.00 61.44 N ATOM 159 CA VAL A 11 17.306 0.309 -7.065 1.00 61.13 C ATOM 160 C VAL A 11 18.580 0.998 -7.541 1.00 61.01 C ATOM 161 O VAL A 11 19.631 0.368 -7.666 1.00 13.34 O ATOM 162 CB VAL A 11 16.379 0.077 -8.273 1.00 62.24 C ATOM 163 CG1 VAL A 11 17.054 -0.821 -9.300 1.00 13.25 C ATOM 164 CG2 VAL A 11 15.054 -0.518 -7.821 1.00 63.32 C ATOM 0 H VAL A 11 15.644 1.233 -6.182 1.00 61.44 H new ATOM 0 HA VAL A 11 17.561 -0.654 -6.622 1.00 61.13 H new ATOM 0 HB VAL A 11 16.177 1.039 -8.744 1.00 62.24 H new ATOM 0 HG11 VAL A 11 16.384 -0.974 -10.146 1.00 13.25 H new ATOM 0 HG12 VAL A 11 17.974 -0.350 -9.646 1.00 13.25 H new ATOM 0 HG13 VAL A 11 17.288 -1.783 -8.844 1.00 13.25 H new ATOM 0 HG21 VAL A 11 14.411 -0.675 -8.687 1.00 63.32 H new ATOM 0 HG22 VAL A 11 15.234 -1.472 -7.325 1.00 63.32 H new ATOM 0 HG23 VAL A 11 14.566 0.166 -7.127 1.00 63.32 H new ATOM 174 N LYS A 12 18.480 2.296 -7.806 1.00 4.24 N ATOM 175 CA LYS A 12 19.625 3.074 -8.266 1.00 74.23 C ATOM 176 C LYS A 12 20.756 3.035 -7.244 1.00 12.22 C ATOM 177 O LYS A 12 21.925 2.891 -7.601 1.00 42.43 O ATOM 178 CB LYS A 12 19.210 4.523 -8.529 1.00 52.23 C ATOM 179 CG LYS A 12 18.855 4.801 -9.980 1.00 23.21 C ATOM 180 CD LYS A 12 17.553 4.125 -10.375 1.00 30.11 C ATOM 181 CE LYS A 12 17.474 3.901 -11.877 1.00 43.53 C ATOM 182 NZ LYS A 12 16.566 2.773 -12.223 1.00 42.14 N ATOM 0 H LYS A 12 17.617 2.832 -7.710 1.00 4.24 H new ATOM 0 HA LYS A 12 19.984 2.631 -9.195 1.00 74.23 H new ATOM 0 HB2 LYS A 12 18.353 4.766 -7.901 1.00 52.23 H new ATOM 0 HB3 LYS A 12 20.023 5.185 -8.229 1.00 52.23 H new ATOM 0 HG2 LYS A 12 18.769 5.877 -10.135 1.00 23.21 H new ATOM 0 HG3 LYS A 12 19.659 4.449 -10.626 1.00 23.21 H new ATOM 0 HD2 LYS A 12 17.467 3.169 -9.859 1.00 30.11 H new ATOM 0 HD3 LYS A 12 16.711 4.738 -10.053 1.00 30.11 H new ATOM 0 HE2 LYS A 12 17.123 4.812 -12.362 1.00 43.53 H new ATOM 0 HE3 LYS A 12 18.471 3.697 -12.267 1.00 43.53 H new ATOM 0 HZ1 LYS A 12 17.096 2.049 -12.748 1.00 42.14 H new ATOM 0 HZ2 LYS A 12 16.182 2.356 -11.351 1.00 42.14 H new ATOM 0 HZ3 LYS A 12 15.784 3.125 -12.812 1.00 42.14 H new ATOM 196 N LYS A 13 20.400 3.163 -5.970 1.00 4.00 N ATOM 197 CA LYS A 13 21.385 3.140 -4.894 1.00 53.15 C ATOM 198 C LYS A 13 22.214 1.861 -4.943 1.00 60.22 C ATOM 199 O LYS A 13 23.443 1.904 -4.877 1.00 32.04 O ATOM 200 CB LYS A 13 20.689 3.258 -3.536 1.00 44.33 C ATOM 201 CG LYS A 13 21.650 3.261 -2.360 1.00 33.45 C ATOM 202 CD LYS A 13 20.946 3.638 -1.067 1.00 22.55 C ATOM 203 CE LYS A 13 20.585 5.115 -1.038 1.00 64.14 C ATOM 204 NZ LYS A 13 20.395 5.613 0.352 1.00 44.10 N ATOM 0 H LYS A 13 19.437 3.284 -5.657 1.00 4.00 H new ATOM 0 HA LYS A 13 22.053 3.990 -5.028 1.00 53.15 H new ATOM 0 HB2 LYS A 13 20.101 4.176 -3.517 1.00 44.33 H new ATOM 0 HB3 LYS A 13 19.990 2.429 -3.422 1.00 44.33 H new ATOM 0 HG2 LYS A 13 22.102 2.275 -2.255 1.00 33.45 H new ATOM 0 HG3 LYS A 13 22.460 3.964 -2.553 1.00 33.45 H new ATOM 0 HD2 LYS A 13 20.042 3.039 -0.956 1.00 22.55 H new ATOM 0 HD3 LYS A 13 21.590 3.403 -0.219 1.00 22.55 H new ATOM 0 HE2 LYS A 13 21.372 5.691 -1.525 1.00 64.14 H new ATOM 0 HE3 LYS A 13 19.671 5.277 -1.610 1.00 64.14 H new ATOM 0 HZ1 LYS A 13 20.150 6.623 0.328 1.00 44.10 H new ATOM 0 HZ2 LYS A 13 19.627 5.081 0.809 1.00 44.10 H new ATOM 0 HZ3 LYS A 13 21.275 5.483 0.891 1.00 44.10 H new ATOM 218 N ILE A 14 21.535 0.725 -5.061 1.00 32.11 N ATOM 219 CA ILE A 14 22.210 -0.566 -5.121 1.00 51.52 C ATOM 220 C ILE A 14 23.150 -0.639 -6.320 1.00 12.32 C ATOM 221 O ILE A 14 24.316 -1.010 -6.185 1.00 20.11 O ATOM 222 CB ILE A 14 21.200 -1.726 -5.203 1.00 43.32 C ATOM 223 CG1 ILE A 14 20.504 -1.921 -3.855 1.00 22.03 C ATOM 224 CG2 ILE A 14 21.899 -3.006 -5.635 1.00 60.31 C ATOM 225 CD1 ILE A 14 19.162 -1.229 -3.762 1.00 23.14 C ATOM 0 H ILE A 14 20.518 0.672 -5.117 1.00 32.11 H new ATOM 0 HA ILE A 14 22.788 -0.663 -4.202 1.00 51.52 H new ATOM 0 HB ILE A 14 20.444 -1.479 -5.948 1.00 43.32 H new ATOM 0 HG12 ILE A 14 20.367 -2.988 -3.677 1.00 22.03 H new ATOM 0 HG13 ILE A 14 21.152 -1.547 -3.063 1.00 22.03 H new ATOM 0 HG21 ILE A 14 21.173 -3.817 -5.688 1.00 60.31 H new ATOM 0 HG22 ILE A 14 22.353 -2.860 -6.615 1.00 60.31 H new ATOM 0 HG23 ILE A 14 22.673 -3.260 -4.911 1.00 60.31 H new ATOM 0 HD11 ILE A 14 18.726 -1.410 -2.779 1.00 23.14 H new ATOM 0 HD12 ILE A 14 19.295 -0.157 -3.908 1.00 23.14 H new ATOM 0 HD13 ILE A 14 18.497 -1.620 -4.532 1.00 23.14 H new ATOM 237 N ILE A 15 22.635 -0.281 -7.491 1.00 52.32 N ATOM 238 CA ILE A 15 23.429 -0.303 -8.713 1.00 42.01 C ATOM 239 C ILE A 15 24.627 0.635 -8.607 1.00 72.05 C ATOM 240 O ILE A 15 25.708 0.338 -9.115 1.00 43.12 O ATOM 241 CB ILE A 15 22.587 0.095 -9.940 1.00 33.54 C ATOM 242 CG1 ILE A 15 21.456 -0.913 -10.157 1.00 13.21 C ATOM 243 CG2 ILE A 15 23.465 0.188 -11.178 1.00 64.10 C ATOM 244 CD1 ILE A 15 20.192 -0.292 -10.709 1.00 75.10 C ATOM 0 H ILE A 15 21.671 0.028 -7.619 1.00 52.32 H new ATOM 0 HA ILE A 15 23.781 -1.326 -8.841 1.00 42.01 H new ATOM 0 HB ILE A 15 22.146 1.075 -9.757 1.00 33.54 H new ATOM 0 HG12 ILE A 15 21.798 -1.690 -10.841 1.00 13.21 H new ATOM 0 HG13 ILE A 15 21.228 -1.401 -9.209 1.00 13.21 H new ATOM 0 HG21 ILE A 15 22.855 0.470 -12.036 1.00 64.10 H new ATOM 0 HG22 ILE A 15 24.239 0.939 -11.020 1.00 64.10 H new ATOM 0 HG23 ILE A 15 23.932 -0.779 -11.367 1.00 64.10 H new ATOM 0 HD11 ILE A 15 19.433 -1.064 -10.838 1.00 75.10 H new ATOM 0 HD12 ILE A 15 19.826 0.465 -10.015 1.00 75.10 H new ATOM 0 HD13 ILE A 15 20.405 0.171 -11.672 1.00 75.10 H new ATOM 256 N VAL A 16 24.427 1.769 -7.943 1.00 31.43 N ATOM 257 CA VAL A 16 25.491 2.750 -7.767 1.00 60.21 C ATOM 258 C VAL A 16 26.455 2.324 -6.666 1.00 20.34 C ATOM 259 O VAL A 16 27.606 2.758 -6.632 1.00 53.55 O ATOM 260 CB VAL A 16 24.922 4.140 -7.427 1.00 1.02 C ATOM 261 CG1 VAL A 16 26.048 5.127 -7.161 1.00 1.44 C ATOM 262 CG2 VAL A 16 24.021 4.636 -8.548 1.00 63.41 C ATOM 0 H VAL A 16 23.538 2.031 -7.518 1.00 31.43 H new ATOM 0 HA VAL A 16 26.028 2.807 -8.714 1.00 60.21 H new ATOM 0 HB VAL A 16 24.323 4.056 -6.521 1.00 1.02 H new ATOM 0 HG11 VAL A 16 25.627 6.104 -6.922 1.00 1.44 H new ATOM 0 HG12 VAL A 16 26.649 4.776 -6.322 1.00 1.44 H new ATOM 0 HG13 VAL A 16 26.676 5.210 -8.048 1.00 1.44 H new ATOM 0 HG21 VAL A 16 23.628 5.619 -8.291 1.00 63.41 H new ATOM 0 HG22 VAL A 16 24.595 4.705 -9.472 1.00 63.41 H new ATOM 0 HG23 VAL A 16 23.194 3.939 -8.685 1.00 63.41 H new ATOM 272 N GLU A 17 25.977 1.470 -5.766 1.00 32.03 N ATOM 273 CA GLU A 17 26.797 0.985 -4.662 1.00 3.40 C ATOM 274 C GLU A 17 27.505 -0.313 -5.039 1.00 42.23 C ATOM 275 O GLU A 17 28.432 -0.747 -4.356 1.00 42.31 O ATOM 276 CB GLU A 17 25.937 0.766 -3.416 1.00 0.33 C ATOM 277 CG GLU A 17 25.506 2.057 -2.739 1.00 70.21 C ATOM 278 CD GLU A 17 26.578 2.625 -1.829 1.00 71.24 C ATOM 279 OE1 GLU A 17 27.076 1.877 -0.961 1.00 53.24 O ATOM 280 OE2 GLU A 17 26.919 3.816 -1.985 1.00 32.12 O ATOM 0 H GLU A 17 25.027 1.100 -5.780 1.00 32.03 H new ATOM 0 HA GLU A 17 27.552 1.741 -4.445 1.00 3.40 H new ATOM 0 HB2 GLU A 17 25.049 0.197 -3.693 1.00 0.33 H new ATOM 0 HB3 GLU A 17 26.494 0.160 -2.702 1.00 0.33 H new ATOM 0 HG2 GLU A 17 25.253 2.795 -3.500 1.00 70.21 H new ATOM 0 HG3 GLU A 17 24.602 1.874 -2.159 1.00 70.21 H new ATOM 287 N GLN A 18 27.060 -0.927 -6.131 1.00 1.21 N ATOM 288 CA GLN A 18 27.650 -2.176 -6.598 1.00 51.33 C ATOM 289 C GLN A 18 28.385 -1.970 -7.919 1.00 35.11 C ATOM 290 O GLN A 18 29.605 -2.122 -7.993 1.00 74.11 O ATOM 291 CB GLN A 18 26.568 -3.245 -6.764 1.00 2.42 C ATOM 292 CG GLN A 18 26.445 -4.175 -5.568 1.00 74.33 C ATOM 293 CD GLN A 18 25.012 -4.594 -5.300 1.00 44.30 C ATOM 294 OE1 GLN A 18 24.303 -5.035 -6.204 1.00 54.44 O ATOM 295 NE2 GLN A 18 24.579 -4.458 -4.052 1.00 45.31 N ATOM 0 H GLN A 18 26.294 -0.580 -6.708 1.00 1.21 H new ATOM 0 HA GLN A 18 28.370 -2.511 -5.851 1.00 51.33 H new ATOM 0 HB2 GLN A 18 25.609 -2.756 -6.934 1.00 2.42 H new ATOM 0 HB3 GLN A 18 26.786 -3.837 -7.653 1.00 2.42 H new ATOM 0 HG2 GLN A 18 27.053 -5.063 -5.739 1.00 74.33 H new ATOM 0 HG3 GLN A 18 26.846 -3.679 -4.684 1.00 74.33 H new ATOM 0 HE21 GLN A 18 25.201 -4.088 -3.334 1.00 45.31 H new ATOM 0 HE22 GLN A 18 23.624 -4.724 -3.812 1.00 45.31 H new ATOM 304 N LEU A 19 27.635 -1.624 -8.959 1.00 73.15 N ATOM 305 CA LEU A 19 28.215 -1.398 -10.279 1.00 13.42 C ATOM 306 C LEU A 19 29.106 -0.160 -10.277 1.00 14.52 C ATOM 307 O LEU A 19 30.139 -0.125 -10.943 1.00 40.23 O ATOM 308 CB LEU A 19 27.109 -1.242 -11.324 1.00 34.31 C ATOM 309 CG LEU A 19 26.083 -2.375 -11.389 1.00 41.33 C ATOM 310 CD1 LEU A 19 25.133 -2.167 -12.558 1.00 73.33 C ATOM 311 CD2 LEU A 19 26.782 -3.722 -11.500 1.00 43.34 C ATOM 0 H LEU A 19 26.624 -1.494 -8.914 1.00 73.15 H new ATOM 0 HA LEU A 19 28.827 -2.264 -10.533 1.00 13.42 H new ATOM 0 HB2 LEU A 19 26.579 -0.310 -11.127 1.00 34.31 H new ATOM 0 HB3 LEU A 19 27.574 -1.143 -12.305 1.00 34.31 H new ATOM 0 HG LEU A 19 25.501 -2.366 -10.468 1.00 41.33 H new ATOM 0 HD11 LEU A 19 24.410 -2.982 -12.589 1.00 73.33 H new ATOM 0 HD12 LEU A 19 24.607 -1.220 -12.435 1.00 73.33 H new ATOM 0 HD13 LEU A 19 25.700 -2.149 -13.489 1.00 73.33 H new ATOM 0 HD21 LEU A 19 26.037 -4.516 -11.545 1.00 43.34 H new ATOM 0 HD22 LEU A 19 27.390 -3.743 -12.405 1.00 43.34 H new ATOM 0 HD23 LEU A 19 27.421 -3.873 -10.630 1.00 43.34 H new ATOM 323 N GLY A 20 28.698 0.855 -9.520 1.00 42.44 N ATOM 324 CA GLY A 20 29.472 2.081 -9.444 1.00 31.21 C ATOM 325 C GLY A 20 28.905 3.180 -10.320 1.00 60.03 C ATOM 326 O GLY A 20 29.090 4.365 -10.040 1.00 74.45 O ATOM 0 H GLY A 20 27.846 0.850 -8.959 1.00 42.44 H new ATOM 0 HA2 GLY A 20 29.502 2.424 -8.410 1.00 31.21 H new ATOM 0 HA3 GLY A 20 30.500 1.877 -9.742 1.00 31.21 H new ATOM 330 N VAL A 21 28.214 2.788 -11.386 1.00 33.11 N ATOM 331 CA VAL A 21 27.618 3.749 -12.307 1.00 24.31 C ATOM 332 C VAL A 21 26.783 4.782 -11.559 1.00 72.33 C ATOM 333 O VAL A 21 26.404 4.572 -10.407 1.00 15.01 O ATOM 334 CB VAL A 21 26.732 3.048 -13.354 1.00 22.13 C ATOM 335 CG1 VAL A 21 27.543 2.036 -14.149 1.00 2.11 C ATOM 336 CG2 VAL A 21 25.542 2.380 -12.682 1.00 70.20 C ATOM 0 H VAL A 21 28.053 1.812 -11.633 1.00 33.11 H new ATOM 0 HA VAL A 21 28.440 4.251 -12.816 1.00 24.31 H new ATOM 0 HB VAL A 21 26.355 3.800 -14.047 1.00 22.13 H new ATOM 0 HG11 VAL A 21 26.900 1.551 -14.884 1.00 2.11 H new ATOM 0 HG12 VAL A 21 28.359 2.546 -14.661 1.00 2.11 H new ATOM 0 HG13 VAL A 21 27.952 1.285 -13.473 1.00 2.11 H new ATOM 0 HG21 VAL A 21 24.926 1.889 -13.436 1.00 70.20 H new ATOM 0 HG22 VAL A 21 25.897 1.639 -11.966 1.00 70.20 H new ATOM 0 HG23 VAL A 21 24.948 3.132 -12.162 1.00 70.20 H new ATOM 346 N ASP A 22 26.499 5.897 -12.223 1.00 31.04 N ATOM 347 CA ASP A 22 25.706 6.963 -11.622 1.00 1.33 C ATOM 348 C ASP A 22 24.214 6.695 -11.795 1.00 44.10 C ATOM 349 O ASP A 22 23.788 6.139 -12.807 1.00 0.15 O ATOM 350 CB ASP A 22 26.070 8.312 -12.245 1.00 23.22 C ATOM 351 CG ASP A 22 25.711 9.480 -11.348 1.00 30.03 C ATOM 352 OD1 ASP A 22 25.724 9.305 -10.111 1.00 74.31 O ATOM 353 OD2 ASP A 22 25.418 10.570 -11.882 1.00 61.32 O ATOM 0 H ASP A 22 26.806 6.086 -13.177 1.00 31.04 H new ATOM 0 HA ASP A 22 25.930 6.991 -10.556 1.00 1.33 H new ATOM 0 HB2 ASP A 22 27.139 8.335 -12.456 1.00 23.22 H new ATOM 0 HB3 ASP A 22 25.555 8.419 -13.199 1.00 23.22 H new ATOM 358 N GLU A 23 23.427 7.093 -10.801 1.00 1.34 N ATOM 359 CA GLU A 23 21.983 6.894 -10.843 1.00 63.44 C ATOM 360 C GLU A 23 21.367 7.633 -12.027 1.00 54.30 C ATOM 361 O GLU A 23 20.251 7.331 -12.449 1.00 32.35 O ATOM 362 CB GLU A 23 21.341 7.371 -9.539 1.00 62.20 C ATOM 363 CG GLU A 23 21.653 8.819 -9.201 1.00 64.02 C ATOM 364 CD GLU A 23 20.823 9.340 -8.044 1.00 42.12 C ATOM 365 OE1 GLU A 23 19.704 9.835 -8.294 1.00 1.25 O ATOM 366 OE2 GLU A 23 21.292 9.253 -6.890 1.00 42.32 O ATOM 0 H GLU A 23 23.765 7.555 -9.957 1.00 1.34 H new ATOM 0 HA GLU A 23 21.792 5.828 -10.963 1.00 63.44 H new ATOM 0 HB2 GLU A 23 20.260 7.248 -9.610 1.00 62.20 H new ATOM 0 HB3 GLU A 23 21.681 6.735 -8.722 1.00 62.20 H new ATOM 0 HG2 GLU A 23 22.711 8.911 -8.955 1.00 64.02 H new ATOM 0 HG3 GLU A 23 21.475 9.440 -10.079 1.00 64.02 H new ATOM 373 N ALA A 24 22.102 8.605 -12.558 1.00 14.00 N ATOM 374 CA ALA A 24 21.629 9.387 -13.693 1.00 55.33 C ATOM 375 C ALA A 24 21.991 8.714 -15.013 1.00 3.52 C ATOM 376 O ALA A 24 21.129 8.483 -15.859 1.00 74.10 O ATOM 377 CB ALA A 24 22.204 10.795 -13.641 1.00 32.13 C ATOM 0 H ALA A 24 23.027 8.869 -12.220 1.00 14.00 H new ATOM 0 HA ALA A 24 20.542 9.448 -13.632 1.00 55.33 H new ATOM 0 HB1 ALA A 24 21.842 11.368 -14.495 1.00 32.13 H new ATOM 0 HB2 ALA A 24 21.890 11.282 -12.718 1.00 32.13 H new ATOM 0 HB3 ALA A 24 23.292 10.745 -13.673 1.00 32.13 H new ATOM 383 N GLU A 25 23.273 8.404 -15.181 1.00 10.11 N ATOM 384 CA GLU A 25 23.749 7.759 -16.399 1.00 54.22 C ATOM 385 C GLU A 25 23.028 6.434 -16.630 1.00 25.31 C ATOM 386 O GLU A 25 22.688 6.088 -17.761 1.00 54.22 O ATOM 387 CB GLU A 25 25.259 7.525 -16.323 1.00 12.15 C ATOM 388 CG GLU A 25 26.084 8.730 -16.744 1.00 74.51 C ATOM 389 CD GLU A 25 27.517 8.366 -17.081 1.00 12.23 C ATOM 390 OE1 GLU A 25 28.147 7.641 -16.283 1.00 4.23 O ATOM 391 OE2 GLU A 25 28.008 8.807 -18.141 1.00 32.41 O ATOM 0 H GLU A 25 24.000 8.589 -14.490 1.00 10.11 H new ATOM 0 HA GLU A 25 23.534 8.421 -17.238 1.00 54.22 H new ATOM 0 HB2 GLU A 25 25.525 7.252 -15.302 1.00 12.15 H new ATOM 0 HB3 GLU A 25 25.519 6.678 -16.957 1.00 12.15 H new ATOM 0 HG2 GLU A 25 25.619 9.199 -17.611 1.00 74.51 H new ATOM 0 HG3 GLU A 25 26.079 9.467 -15.941 1.00 74.51 H new ATOM 398 N VAL A 26 22.801 5.695 -15.549 1.00 34.34 N ATOM 399 CA VAL A 26 22.121 4.408 -15.632 1.00 31.43 C ATOM 400 C VAL A 26 20.806 4.528 -16.394 1.00 43.52 C ATOM 401 O VAL A 26 20.083 5.515 -16.254 1.00 74.31 O ATOM 402 CB VAL A 26 21.839 3.831 -14.232 1.00 35.42 C ATOM 403 CG1 VAL A 26 20.801 4.674 -13.506 1.00 23.41 C ATOM 404 CG2 VAL A 26 21.384 2.383 -14.335 1.00 35.43 C ATOM 0 H VAL A 26 23.078 5.966 -14.605 1.00 34.34 H new ATOM 0 HA VAL A 26 22.788 3.733 -16.168 1.00 31.43 H new ATOM 0 HB VAL A 26 22.763 3.858 -13.654 1.00 35.42 H new ATOM 0 HG11 VAL A 26 20.615 4.251 -12.519 1.00 23.41 H new ATOM 0 HG12 VAL A 26 21.170 5.694 -13.400 1.00 23.41 H new ATOM 0 HG13 VAL A 26 19.873 4.682 -14.078 1.00 23.41 H new ATOM 0 HG21 VAL A 26 21.189 1.991 -13.337 1.00 35.43 H new ATOM 0 HG22 VAL A 26 20.472 2.330 -14.930 1.00 35.43 H new ATOM 0 HG23 VAL A 26 22.164 1.790 -14.812 1.00 35.43 H new ATOM 414 N LYS A 27 20.502 3.518 -17.202 1.00 42.30 N ATOM 415 CA LYS A 27 19.273 3.509 -17.987 1.00 24.22 C ATOM 416 C LYS A 27 18.391 2.326 -17.601 1.00 53.02 C ATOM 417 O LYS A 27 18.839 1.181 -17.596 1.00 64.42 O ATOM 418 CB LYS A 27 19.599 3.450 -19.481 1.00 53.30 C ATOM 419 CG LYS A 27 19.999 4.792 -20.069 1.00 50.24 C ATOM 420 CD LYS A 27 20.215 4.701 -21.571 1.00 31.33 C ATOM 421 CE LYS A 27 20.188 6.075 -22.222 1.00 63.23 C ATOM 422 NZ LYS A 27 18.808 6.629 -22.292 1.00 12.02 N ATOM 0 H LYS A 27 21.090 2.695 -17.330 1.00 42.30 H new ATOM 0 HA LYS A 27 18.729 4.430 -17.776 1.00 24.22 H new ATOM 0 HB2 LYS A 27 20.408 2.737 -19.640 1.00 53.30 H new ATOM 0 HB3 LYS A 27 18.730 3.071 -20.019 1.00 53.30 H new ATOM 0 HG2 LYS A 27 19.225 5.529 -19.856 1.00 50.24 H new ATOM 0 HG3 LYS A 27 20.913 5.142 -19.590 1.00 50.24 H new ATOM 0 HD2 LYS A 27 21.172 4.220 -21.774 1.00 31.33 H new ATOM 0 HD3 LYS A 27 19.442 4.072 -22.013 1.00 31.33 H new ATOM 0 HE2 LYS A 27 20.825 6.757 -21.658 1.00 63.23 H new ATOM 0 HE3 LYS A 27 20.604 6.009 -23.227 1.00 63.23 H new ATOM 0 HZ1 LYS A 27 18.792 7.441 -22.942 1.00 12.02 H new ATOM 0 HZ2 LYS A 27 18.157 5.896 -22.638 1.00 12.02 H new ATOM 0 HZ3 LYS A 27 18.509 6.938 -21.345 1.00 12.02 H new ATOM 436 N ASN A 28 17.133 2.612 -17.280 1.00 61.12 N ATOM 437 CA ASN A 28 16.187 1.571 -16.894 1.00 63.13 C ATOM 438 C ASN A 28 15.963 0.588 -18.039 1.00 63.23 C ATOM 439 O ASN A 28 15.551 -0.551 -17.820 1.00 50.35 O ATOM 440 CB ASN A 28 14.855 2.194 -16.474 1.00 54.01 C ATOM 441 CG ASN A 28 14.817 2.538 -14.998 1.00 1.14 C ATOM 442 OD1 ASN A 28 15.125 3.663 -14.603 1.00 73.10 O ATOM 443 ND2 ASN A 28 14.439 1.568 -14.174 1.00 22.34 N ATOM 0 H ASN A 28 16.745 3.555 -17.280 1.00 61.12 H new ATOM 0 HA ASN A 28 16.608 1.027 -16.049 1.00 63.13 H new ATOM 0 HB2 ASN A 28 14.679 3.097 -17.059 1.00 54.01 H new ATOM 0 HB3 ASN A 28 14.045 1.502 -16.704 1.00 54.01 H new ATOM 0 HD21 ASN A 28 14.395 1.740 -13.170 1.00 22.34 H new ATOM 0 HD22 ASN A 28 14.193 0.651 -14.545 1.00 22.34 H new ATOM 450 N GLU A 29 16.239 1.037 -19.260 1.00 32.31 N ATOM 451 CA GLU A 29 16.067 0.196 -20.439 1.00 11.10 C ATOM 452 C GLU A 29 17.378 -0.487 -20.816 1.00 63.00 C ATOM 453 O GLU A 29 17.608 -0.814 -21.980 1.00 32.00 O ATOM 454 CB GLU A 29 15.556 1.029 -21.616 1.00 41.15 C ATOM 455 CG GLU A 29 14.288 1.807 -21.307 1.00 61.11 C ATOM 456 CD GLU A 29 13.540 2.225 -22.558 1.00 70.42 C ATOM 457 OE1 GLU A 29 13.891 3.275 -23.136 1.00 31.04 O ATOM 458 OE2 GLU A 29 12.604 1.502 -22.960 1.00 21.04 O ATOM 0 H GLU A 29 16.582 1.977 -19.458 1.00 32.31 H new ATOM 0 HA GLU A 29 15.332 -0.573 -20.201 1.00 11.10 H new ATOM 0 HB2 GLU A 29 16.335 1.727 -21.921 1.00 41.15 H new ATOM 0 HB3 GLU A 29 15.370 0.369 -22.463 1.00 41.15 H new ATOM 0 HG2 GLU A 29 13.634 1.196 -20.684 1.00 61.11 H new ATOM 0 HG3 GLU A 29 14.543 2.694 -20.727 1.00 61.11 H new ATOM 465 N ALA A 30 18.235 -0.699 -19.823 1.00 4.54 N ATOM 466 CA ALA A 30 19.523 -1.343 -20.049 1.00 31.53 C ATOM 467 C ALA A 30 19.637 -2.636 -19.248 1.00 64.20 C ATOM 468 O ALA A 30 18.705 -3.028 -18.546 1.00 50.42 O ATOM 469 CB ALA A 30 20.658 -0.396 -19.690 1.00 40.12 C ATOM 0 H ALA A 30 18.061 -0.434 -18.854 1.00 4.54 H new ATOM 0 HA ALA A 30 19.595 -1.593 -21.107 1.00 31.53 H new ATOM 0 HB1 ALA A 30 21.614 -0.891 -19.864 1.00 40.12 H new ATOM 0 HB2 ALA A 30 20.595 0.499 -20.309 1.00 40.12 H new ATOM 0 HB3 ALA A 30 20.580 -0.117 -18.639 1.00 40.12 H new ATOM 475 N SER A 31 20.786 -3.296 -19.359 1.00 3.54 N ATOM 476 CA SER A 31 21.021 -4.547 -18.648 1.00 72.11 C ATOM 477 C SER A 31 22.249 -4.440 -17.749 1.00 52.31 C ATOM 478 O SER A 31 22.793 -3.354 -17.549 1.00 40.42 O ATOM 479 CB SER A 31 21.201 -5.696 -19.642 1.00 21.21 C ATOM 480 OG SER A 31 20.440 -5.478 -20.817 1.00 33.40 O ATOM 0 H SER A 31 21.568 -2.985 -19.935 1.00 3.54 H new ATOM 0 HA SER A 31 20.152 -4.749 -18.022 1.00 72.11 H new ATOM 0 HB2 SER A 31 22.255 -5.795 -19.901 1.00 21.21 H new ATOM 0 HB3 SER A 31 20.897 -6.634 -19.177 1.00 21.21 H new ATOM 0 HG SER A 31 19.526 -5.224 -20.572 1.00 33.40 H new ATOM 486 N PHE A 32 22.680 -5.575 -17.209 1.00 41.22 N ATOM 487 CA PHE A 32 23.843 -5.610 -16.330 1.00 42.23 C ATOM 488 C PHE A 32 25.078 -6.099 -17.081 1.00 70.15 C ATOM 489 O PHE A 32 26.163 -5.531 -16.952 1.00 73.42 O ATOM 490 CB PHE A 32 23.572 -6.515 -15.127 1.00 24.22 C ATOM 491 CG PHE A 32 22.280 -6.209 -14.425 1.00 4.21 C ATOM 492 CD1 PHE A 32 21.804 -4.909 -14.359 1.00 33.41 C ATOM 493 CD2 PHE A 32 21.542 -7.220 -13.831 1.00 63.15 C ATOM 494 CE1 PHE A 32 20.616 -4.625 -13.713 1.00 14.21 C ATOM 495 CE2 PHE A 32 20.353 -6.942 -13.184 1.00 41.53 C ATOM 496 CZ PHE A 32 19.889 -5.642 -13.126 1.00 33.20 C ATOM 0 H PHE A 32 22.241 -6.483 -17.365 1.00 41.22 H new ATOM 0 HA PHE A 32 24.032 -4.596 -15.978 1.00 42.23 H new ATOM 0 HB2 PHE A 32 23.559 -7.553 -15.459 1.00 24.22 H new ATOM 0 HB3 PHE A 32 24.394 -6.418 -14.417 1.00 24.22 H new ATOM 0 HD1 PHE A 32 22.367 -4.110 -14.817 1.00 33.41 H new ATOM 0 HD2 PHE A 32 21.900 -8.238 -13.874 1.00 63.15 H new ATOM 0 HE1 PHE A 32 20.256 -3.608 -13.667 1.00 14.21 H new ATOM 0 HE2 PHE A 32 19.788 -7.739 -12.725 1.00 41.53 H new ATOM 0 HZ PHE A 32 18.959 -5.421 -12.622 1.00 33.20 H new ATOM 506 N VAL A 33 24.905 -7.157 -17.867 1.00 33.51 N ATOM 507 CA VAL A 33 26.004 -7.724 -18.640 1.00 34.03 C ATOM 508 C VAL A 33 25.709 -7.670 -20.135 1.00 4.34 C ATOM 509 O VAL A 33 26.617 -7.506 -20.951 1.00 33.53 O ATOM 510 CB VAL A 33 26.280 -9.184 -18.235 1.00 23.12 C ATOM 511 CG1 VAL A 33 26.950 -9.242 -16.870 1.00 73.32 C ATOM 512 CG2 VAL A 33 24.991 -9.991 -18.240 1.00 60.52 C ATOM 0 H VAL A 33 24.014 -7.639 -17.985 1.00 33.51 H new ATOM 0 HA VAL A 33 26.887 -7.122 -18.425 1.00 34.03 H new ATOM 0 HB VAL A 33 26.959 -9.623 -18.966 1.00 23.12 H new ATOM 0 HG11 VAL A 33 27.137 -10.281 -16.600 1.00 73.32 H new ATOM 0 HG12 VAL A 33 27.895 -8.700 -16.905 1.00 73.32 H new ATOM 0 HG13 VAL A 33 26.298 -8.786 -16.125 1.00 73.32 H new ATOM 0 HG21 VAL A 33 25.205 -11.020 -17.951 1.00 60.52 H new ATOM 0 HG22 VAL A 33 24.286 -9.555 -17.532 1.00 60.52 H new ATOM 0 HG23 VAL A 33 24.557 -9.977 -19.240 1.00 60.52 H new ATOM 522 N ASP A 34 24.436 -7.807 -20.487 1.00 31.15 N ATOM 523 CA ASP A 34 24.021 -7.772 -21.884 1.00 72.11 C ATOM 524 C ASP A 34 24.293 -6.402 -22.498 1.00 22.23 C ATOM 525 O ASP A 34 24.452 -6.276 -23.712 1.00 3.51 O ATOM 526 CB ASP A 34 22.535 -8.113 -22.006 1.00 13.24 C ATOM 527 CG ASP A 34 22.173 -9.392 -21.278 1.00 32.52 C ATOM 528 OD1 ASP A 34 22.575 -10.477 -21.749 1.00 32.34 O ATOM 529 OD2 ASP A 34 21.488 -9.309 -20.237 1.00 23.22 O ATOM 0 H ASP A 34 23.673 -7.943 -19.824 1.00 31.15 H new ATOM 0 HA ASP A 34 24.602 -8.516 -22.428 1.00 72.11 H new ATOM 0 HB2 ASP A 34 21.942 -7.290 -21.606 1.00 13.24 H new ATOM 0 HB3 ASP A 34 22.273 -8.211 -23.059 1.00 13.24 H new ATOM 534 N ASP A 35 24.344 -5.380 -21.651 1.00 23.01 N ATOM 535 CA ASP A 35 24.597 -4.019 -22.110 1.00 22.14 C ATOM 536 C ASP A 35 25.821 -3.430 -21.415 1.00 30.12 C ATOM 537 O ASP A 35 26.838 -3.155 -22.053 1.00 22.32 O ATOM 538 CB ASP A 35 23.375 -3.136 -21.853 1.00 21.04 C ATOM 539 CG ASP A 35 22.104 -3.722 -22.436 1.00 25.00 C ATOM 540 OD1 ASP A 35 22.203 -4.681 -23.230 1.00 20.42 O ATOM 541 OD2 ASP A 35 21.011 -3.222 -22.098 1.00 44.01 O ATOM 0 H ASP A 35 24.214 -5.468 -20.643 1.00 23.01 H new ATOM 0 HA ASP A 35 24.792 -4.053 -23.182 1.00 22.14 H new ATOM 0 HB2 ASP A 35 23.249 -2.999 -20.779 1.00 21.04 H new ATOM 0 HB3 ASP A 35 23.547 -2.149 -22.282 1.00 21.04 H new ATOM 546 N LEU A 36 25.715 -3.238 -20.105 1.00 5.44 N ATOM 547 CA LEU A 36 26.813 -2.680 -19.322 1.00 43.14 C ATOM 548 C LEU A 36 28.076 -3.522 -19.479 1.00 12.53 C ATOM 549 O LEU A 36 29.189 -3.027 -19.306 1.00 20.35 O ATOM 550 CB LEU A 36 26.422 -2.596 -17.846 1.00 3.30 C ATOM 551 CG LEU A 36 25.788 -1.280 -17.394 1.00 32.14 C ATOM 552 CD1 LEU A 36 26.735 -0.117 -17.643 1.00 24.02 C ATOM 553 CD2 LEU A 36 24.463 -1.054 -18.108 1.00 2.43 C ATOM 0 H LEU A 36 24.880 -3.460 -19.562 1.00 5.44 H new ATOM 0 HA LEU A 36 27.019 -1.676 -19.694 1.00 43.14 H new ATOM 0 HB2 LEU A 36 25.725 -3.405 -17.629 1.00 3.30 H new ATOM 0 HB3 LEU A 36 27.313 -2.772 -17.244 1.00 3.30 H new ATOM 0 HG LEU A 36 25.595 -1.341 -16.323 1.00 32.14 H new ATOM 0 HD11 LEU A 36 26.266 0.811 -17.315 1.00 24.02 H new ATOM 0 HD12 LEU A 36 27.658 -0.274 -17.085 1.00 24.02 H new ATOM 0 HD13 LEU A 36 26.960 -0.053 -18.707 1.00 24.02 H new ATOM 0 HD21 LEU A 36 24.026 -0.113 -17.774 1.00 2.43 H new ATOM 0 HD22 LEU A 36 24.632 -1.014 -19.184 1.00 2.43 H new ATOM 0 HD23 LEU A 36 23.781 -1.873 -17.878 1.00 2.43 H new ATOM 565 N GLY A 37 27.894 -4.797 -19.810 1.00 10.55 N ATOM 566 CA GLY A 37 29.027 -5.686 -19.986 1.00 10.01 C ATOM 567 C GLY A 37 29.689 -6.050 -18.672 1.00 13.34 C ATOM 568 O GLY A 37 30.872 -6.386 -18.637 1.00 11.12 O ATOM 0 H GLY A 37 26.982 -5.230 -19.959 1.00 10.55 H new ATOM 0 HA2 GLY A 37 28.696 -6.596 -20.487 1.00 10.01 H new ATOM 0 HA3 GLY A 37 29.759 -5.211 -20.639 1.00 10.01 H new ATOM 572 N ALA A 38 28.924 -5.981 -17.587 1.00 12.01 N ATOM 573 CA ALA A 38 29.443 -6.306 -16.264 1.00 70.12 C ATOM 574 C ALA A 38 29.798 -7.786 -16.162 1.00 53.41 C ATOM 575 O ALA A 38 29.794 -8.505 -17.161 1.00 41.02 O ATOM 576 CB ALA A 38 28.431 -5.929 -15.193 1.00 11.14 C ATOM 0 H ALA A 38 27.943 -5.703 -17.598 1.00 12.01 H new ATOM 0 HA ALA A 38 30.354 -5.729 -16.106 1.00 70.12 H new ATOM 0 HB1 ALA A 38 28.832 -6.177 -14.210 1.00 11.14 H new ATOM 0 HB2 ALA A 38 28.230 -4.859 -15.243 1.00 11.14 H new ATOM 0 HB3 ALA A 38 27.505 -6.480 -15.357 1.00 11.14 H new ATOM 582 N ASP A 39 30.104 -8.233 -14.950 1.00 22.34 N ATOM 583 CA ASP A 39 30.461 -9.628 -14.717 1.00 62.01 C ATOM 584 C ASP A 39 29.337 -10.363 -13.994 1.00 61.41 C ATOM 585 O ASP A 39 28.423 -9.742 -13.453 1.00 11.14 O ATOM 586 CB ASP A 39 31.752 -9.717 -13.902 1.00 65.23 C ATOM 587 CG ASP A 39 32.915 -9.020 -14.581 1.00 71.04 C ATOM 588 OD1 ASP A 39 32.957 -9.015 -15.830 1.00 21.43 O ATOM 589 OD2 ASP A 39 33.782 -8.478 -13.865 1.00 31.33 O ATOM 0 H ASP A 39 30.112 -7.650 -14.113 1.00 22.34 H new ATOM 0 HA ASP A 39 30.618 -10.104 -15.685 1.00 62.01 H new ATOM 0 HB2 ASP A 39 31.589 -9.273 -12.920 1.00 65.23 H new ATOM 0 HB3 ASP A 39 32.005 -10.765 -13.740 1.00 65.23 H new ATOM 594 N SER A 40 29.411 -11.691 -13.991 1.00 2.54 N ATOM 595 CA SER A 40 28.397 -12.511 -13.339 1.00 24.15 C ATOM 596 C SER A 40 28.174 -12.056 -11.900 1.00 34.45 C ATOM 597 O SER A 40 27.039 -11.997 -11.424 1.00 53.42 O ATOM 598 CB SER A 40 28.811 -13.984 -13.362 1.00 12.15 C ATOM 599 OG SER A 40 29.003 -14.439 -14.690 1.00 1.13 O ATOM 0 H SER A 40 30.162 -12.221 -14.433 1.00 2.54 H new ATOM 0 HA SER A 40 27.462 -12.395 -13.887 1.00 24.15 H new ATOM 0 HB2 SER A 40 29.731 -14.115 -12.793 1.00 12.15 H new ATOM 0 HB3 SER A 40 28.046 -14.588 -12.874 1.00 12.15 H new ATOM 0 HG SER A 40 29.269 -15.382 -14.677 1.00 1.13 H new ATOM 605 N LEU A 41 29.263 -11.737 -11.211 1.00 5.34 N ATOM 606 CA LEU A 41 29.188 -11.287 -9.825 1.00 2.11 C ATOM 607 C LEU A 41 28.285 -10.064 -9.698 1.00 24.03 C ATOM 608 O LEU A 41 27.601 -9.888 -8.690 1.00 15.11 O ATOM 609 CB LEU A 41 30.586 -10.960 -9.298 1.00 4.24 C ATOM 610 CG LEU A 41 30.795 -11.138 -7.793 1.00 62.44 C ATOM 611 CD1 LEU A 41 30.610 -12.595 -7.398 1.00 74.10 C ATOM 612 CD2 LEU A 41 32.175 -10.644 -7.384 1.00 61.52 C ATOM 0 H LEU A 41 30.209 -11.781 -11.589 1.00 5.34 H new ATOM 0 HA LEU A 41 28.762 -12.094 -9.229 1.00 2.11 H new ATOM 0 HB2 LEU A 41 31.306 -11.589 -9.821 1.00 4.24 H new ATOM 0 HB3 LEU A 41 30.818 -9.927 -9.557 1.00 4.24 H new ATOM 0 HG LEU A 41 30.048 -10.542 -7.269 1.00 62.44 H new ATOM 0 HD11 LEU A 41 30.762 -12.703 -6.324 1.00 74.10 H new ATOM 0 HD12 LEU A 41 29.601 -12.916 -7.655 1.00 74.10 H new ATOM 0 HD13 LEU A 41 31.334 -13.211 -7.931 1.00 74.10 H new ATOM 0 HD21 LEU A 41 32.306 -10.778 -6.310 1.00 61.52 H new ATOM 0 HD22 LEU A 41 32.938 -11.212 -7.917 1.00 61.52 H new ATOM 0 HD23 LEU A 41 32.271 -9.587 -7.632 1.00 61.52 H new ATOM 624 N ASP A 42 28.288 -9.224 -10.727 1.00 10.35 N ATOM 625 CA ASP A 42 27.467 -8.019 -10.732 1.00 14.34 C ATOM 626 C ASP A 42 25.983 -8.373 -10.727 1.00 53.51 C ATOM 627 O ASP A 42 25.235 -7.952 -9.843 1.00 63.22 O ATOM 628 CB ASP A 42 27.795 -7.157 -11.952 1.00 74.42 C ATOM 629 CG ASP A 42 29.263 -6.786 -12.021 1.00 13.42 C ATOM 630 OD1 ASP A 42 30.101 -7.702 -12.148 1.00 21.11 O ATOM 631 OD2 ASP A 42 29.574 -5.578 -11.947 1.00 35.15 O ATOM 0 H ASP A 42 28.850 -9.355 -11.568 1.00 10.35 H new ATOM 0 HA ASP A 42 27.690 -7.453 -9.827 1.00 14.34 H new ATOM 0 HB2 ASP A 42 27.516 -7.694 -12.858 1.00 74.42 H new ATOM 0 HB3 ASP A 42 27.194 -6.248 -11.923 1.00 74.42 H new ATOM 636 N THR A 43 25.561 -9.148 -11.722 1.00 2.43 N ATOM 637 CA THR A 43 24.167 -9.556 -11.834 1.00 32.20 C ATOM 638 C THR A 43 23.671 -10.183 -10.536 1.00 1.43 C ATOM 639 O THR A 43 22.675 -9.741 -9.962 1.00 4.10 O ATOM 640 CB THR A 43 23.967 -10.561 -12.985 1.00 14.45 C ATOM 641 OG1 THR A 43 25.016 -11.535 -12.972 1.00 52.03 O ATOM 642 CG2 THR A 43 23.946 -9.847 -14.328 1.00 75.40 C ATOM 0 H THR A 43 26.166 -9.505 -12.462 1.00 2.43 H new ATOM 0 HA THR A 43 23.590 -8.655 -12.043 1.00 32.20 H new ATOM 0 HB THR A 43 23.008 -11.059 -12.842 1.00 14.45 H new ATOM 0 HG1 THR A 43 25.657 -11.316 -12.264 1.00 52.03 H new ATOM 0 HG21 THR A 43 23.804 -10.576 -15.126 1.00 75.40 H new ATOM 0 HG22 THR A 43 23.128 -9.127 -14.344 1.00 75.40 H new ATOM 0 HG23 THR A 43 24.891 -9.325 -14.478 1.00 75.40 H new ATOM 650 N VAL A 44 24.372 -11.214 -10.076 1.00 63.22 N ATOM 651 CA VAL A 44 24.004 -11.901 -8.844 1.00 2.43 C ATOM 652 C VAL A 44 23.969 -10.933 -7.666 1.00 33.53 C ATOM 653 O VAL A 44 23.150 -11.076 -6.758 1.00 51.22 O ATOM 654 CB VAL A 44 24.984 -13.045 -8.525 1.00 20.34 C ATOM 655 CG1 VAL A 44 24.982 -14.077 -9.642 1.00 32.31 C ATOM 656 CG2 VAL A 44 26.385 -12.499 -8.295 1.00 50.44 C ATOM 0 H VAL A 44 25.199 -11.592 -10.538 1.00 63.22 H new ATOM 0 HA VAL A 44 23.009 -12.318 -8.999 1.00 2.43 H new ATOM 0 HB VAL A 44 24.656 -13.536 -7.609 1.00 20.34 H new ATOM 0 HG11 VAL A 44 25.680 -14.878 -9.399 1.00 32.31 H new ATOM 0 HG12 VAL A 44 23.980 -14.491 -9.753 1.00 32.31 H new ATOM 0 HG13 VAL A 44 25.284 -13.603 -10.576 1.00 32.31 H new ATOM 0 HG21 VAL A 44 27.064 -13.322 -8.071 1.00 50.44 H new ATOM 0 HG22 VAL A 44 26.726 -11.982 -9.192 1.00 50.44 H new ATOM 0 HG23 VAL A 44 26.371 -11.802 -7.457 1.00 50.44 H new ATOM 666 N GLU A 45 24.862 -9.949 -7.688 1.00 23.53 N ATOM 667 CA GLU A 45 24.933 -8.959 -6.620 1.00 52.53 C ATOM 668 C GLU A 45 23.626 -8.177 -6.516 1.00 43.24 C ATOM 669 O GLU A 45 23.075 -8.009 -5.428 1.00 33.11 O ATOM 670 CB GLU A 45 26.098 -7.996 -6.863 1.00 75.54 C ATOM 671 CG GLU A 45 27.293 -8.247 -5.959 1.00 72.13 C ATOM 672 CD GLU A 45 28.568 -7.623 -6.492 1.00 21.11 C ATOM 673 OE1 GLU A 45 29.186 -8.218 -7.400 1.00 0.45 O ATOM 674 OE2 GLU A 45 28.948 -6.539 -6.001 1.00 33.54 O ATOM 0 H GLU A 45 25.546 -9.816 -8.433 1.00 23.53 H new ATOM 0 HA GLU A 45 25.097 -9.487 -5.680 1.00 52.53 H new ATOM 0 HB2 GLU A 45 26.416 -8.078 -7.902 1.00 75.54 H new ATOM 0 HB3 GLU A 45 25.750 -6.974 -6.716 1.00 75.54 H new ATOM 0 HG2 GLU A 45 27.084 -7.847 -4.967 1.00 72.13 H new ATOM 0 HG3 GLU A 45 27.439 -9.321 -5.845 1.00 72.13 H new ATOM 681 N LEU A 46 23.137 -7.700 -7.656 1.00 20.22 N ATOM 682 CA LEU A 46 21.895 -6.935 -7.695 1.00 24.34 C ATOM 683 C LEU A 46 20.716 -7.788 -7.238 1.00 70.02 C ATOM 684 O LEU A 46 19.888 -7.346 -6.442 1.00 11.22 O ATOM 685 CB LEU A 46 21.642 -6.409 -9.108 1.00 51.42 C ATOM 686 CG LEU A 46 22.799 -5.650 -9.759 1.00 52.23 C ATOM 687 CD1 LEU A 46 22.385 -5.110 -11.119 1.00 54.43 C ATOM 688 CD2 LEU A 46 23.271 -4.520 -8.856 1.00 1.01 C ATOM 0 H LEU A 46 23.581 -7.829 -8.565 1.00 20.22 H new ATOM 0 HA LEU A 46 21.995 -6.091 -7.013 1.00 24.34 H new ATOM 0 HB2 LEU A 46 21.382 -7.253 -9.747 1.00 51.42 H new ATOM 0 HB3 LEU A 46 20.773 -5.752 -9.079 1.00 51.42 H new ATOM 0 HG LEU A 46 23.628 -6.343 -9.903 1.00 52.23 H new ATOM 0 HD11 LEU A 46 23.221 -4.573 -11.567 1.00 54.43 H new ATOM 0 HD12 LEU A 46 22.097 -5.938 -11.767 1.00 54.43 H new ATOM 0 HD13 LEU A 46 21.540 -4.432 -10.999 1.00 54.43 H new ATOM 0 HD21 LEU A 46 24.095 -3.991 -9.335 1.00 1.01 H new ATOM 0 HD22 LEU A 46 22.448 -3.827 -8.680 1.00 1.01 H new ATOM 0 HD23 LEU A 46 23.609 -4.931 -7.905 1.00 1.01 H new ATOM 700 N VAL A 47 20.647 -9.014 -7.747 1.00 20.32 N ATOM 701 CA VAL A 47 19.571 -9.931 -7.389 1.00 40.20 C ATOM 702 C VAL A 47 19.452 -10.075 -5.876 1.00 10.30 C ATOM 703 O VAL A 47 18.367 -9.934 -5.313 1.00 0.15 O ATOM 704 CB VAL A 47 19.790 -11.323 -8.010 1.00 71.14 C ATOM 705 CG1 VAL A 47 18.643 -12.255 -7.651 1.00 13.12 C ATOM 706 CG2 VAL A 47 19.946 -11.214 -9.520 1.00 11.13 C ATOM 0 H VAL A 47 21.323 -9.395 -8.408 1.00 20.32 H new ATOM 0 HA VAL A 47 18.649 -9.506 -7.784 1.00 40.20 H new ATOM 0 HB VAL A 47 20.709 -11.743 -7.602 1.00 71.14 H new ATOM 0 HG11 VAL A 47 18.816 -13.234 -8.099 1.00 13.12 H new ATOM 0 HG12 VAL A 47 18.583 -12.357 -6.567 1.00 13.12 H new ATOM 0 HG13 VAL A 47 17.707 -11.843 -8.029 1.00 13.12 H new ATOM 0 HG21 VAL A 47 20.100 -12.207 -9.942 1.00 11.13 H new ATOM 0 HG22 VAL A 47 19.046 -10.773 -9.948 1.00 11.13 H new ATOM 0 HG23 VAL A 47 20.804 -10.584 -9.753 1.00 11.13 H new ATOM 716 N MET A 48 20.575 -10.356 -5.224 1.00 2.34 N ATOM 717 CA MET A 48 20.597 -10.517 -3.774 1.00 51.14 C ATOM 718 C MET A 48 20.130 -9.242 -3.079 1.00 33.55 C ATOM 719 O MET A 48 19.297 -9.288 -2.174 1.00 11.13 O ATOM 720 CB MET A 48 22.005 -10.883 -3.302 1.00 21.24 C ATOM 721 CG MET A 48 22.626 -12.035 -4.076 1.00 13.23 C ATOM 722 SD MET A 48 23.029 -13.442 -3.023 1.00 3.22 S ATOM 723 CE MET A 48 24.817 -13.450 -3.139 1.00 53.01 C ATOM 0 H MET A 48 21.481 -10.477 -5.676 1.00 2.34 H new ATOM 0 HA MET A 48 19.913 -11.324 -3.512 1.00 51.14 H new ATOM 0 HB2 MET A 48 22.648 -10.008 -3.391 1.00 21.24 H new ATOM 0 HB3 MET A 48 21.968 -11.145 -2.245 1.00 21.24 H new ATOM 0 HG2 MET A 48 21.937 -12.356 -4.857 1.00 13.23 H new ATOM 0 HG3 MET A 48 23.531 -11.687 -4.573 1.00 13.23 H new ATOM 0 HE1 MET A 48 25.217 -14.267 -2.539 1.00 53.01 H new ATOM 0 HE2 MET A 48 25.114 -13.585 -4.179 1.00 53.01 H new ATOM 0 HE3 MET A 48 25.210 -12.503 -2.770 1.00 53.01 H new ATOM 733 N ALA A 49 20.672 -8.107 -3.507 1.00 33.03 N ATOM 734 CA ALA A 49 20.309 -6.820 -2.926 1.00 33.54 C ATOM 735 C ALA A 49 18.801 -6.598 -2.982 1.00 61.25 C ATOM 736 O ALA A 49 18.220 -5.981 -2.089 1.00 20.45 O ATOM 737 CB ALA A 49 21.038 -5.693 -3.642 1.00 33.30 C ATOM 0 H ALA A 49 21.364 -8.052 -4.254 1.00 33.03 H new ATOM 0 HA ALA A 49 20.610 -6.824 -1.878 1.00 33.54 H new ATOM 0 HB1 ALA A 49 20.757 -4.738 -3.198 1.00 33.30 H new ATOM 0 HB2 ALA A 49 22.114 -5.836 -3.545 1.00 33.30 H new ATOM 0 HB3 ALA A 49 20.766 -5.696 -4.697 1.00 33.30 H new ATOM 743 N LEU A 50 18.173 -7.103 -4.038 1.00 72.43 N ATOM 744 CA LEU A 50 16.732 -6.959 -4.212 1.00 74.41 C ATOM 745 C LEU A 50 15.973 -7.817 -3.204 1.00 42.20 C ATOM 746 O LEU A 50 15.092 -7.328 -2.498 1.00 40.41 O ATOM 747 CB LEU A 50 16.328 -7.349 -5.635 1.00 43.34 C ATOM 748 CG LEU A 50 16.754 -6.383 -6.742 1.00 0.34 C ATOM 749 CD1 LEU A 50 16.399 -6.947 -8.109 1.00 0.34 C ATOM 750 CD2 LEU A 50 16.105 -5.021 -6.539 1.00 62.15 C ATOM 0 H LEU A 50 18.639 -7.616 -4.787 1.00 72.43 H new ATOM 0 HA LEU A 50 16.474 -5.914 -4.041 1.00 74.41 H new ATOM 0 HB2 LEU A 50 16.749 -8.330 -5.855 1.00 43.34 H new ATOM 0 HB3 LEU A 50 15.243 -7.452 -5.668 1.00 43.34 H new ATOM 0 HG LEU A 50 17.836 -6.259 -6.694 1.00 0.34 H new ATOM 0 HD11 LEU A 50 16.710 -6.246 -8.884 1.00 0.34 H new ATOM 0 HD12 LEU A 50 16.911 -7.898 -8.254 1.00 0.34 H new ATOM 0 HD13 LEU A 50 15.322 -7.101 -8.170 1.00 0.34 H new ATOM 0 HD21 LEU A 50 16.419 -4.346 -7.335 1.00 62.15 H new ATOM 0 HD22 LEU A 50 15.020 -5.128 -6.560 1.00 62.15 H new ATOM 0 HD23 LEU A 50 16.410 -4.612 -5.576 1.00 62.15 H new ATOM 762 N GLU A 51 16.324 -9.098 -3.142 1.00 12.43 N ATOM 763 CA GLU A 51 15.676 -10.022 -2.218 1.00 64.14 C ATOM 764 C GLU A 51 16.075 -9.720 -0.777 1.00 11.32 C ATOM 765 O GLU A 51 15.494 -10.260 0.164 1.00 5.32 O ATOM 766 CB GLU A 51 16.042 -11.466 -2.568 1.00 32.31 C ATOM 767 CG GLU A 51 17.539 -11.725 -2.599 1.00 12.11 C ATOM 768 CD GLU A 51 17.881 -13.193 -2.435 1.00 32.02 C ATOM 769 OE1 GLU A 51 17.070 -14.043 -2.859 1.00 42.33 O ATOM 770 OE2 GLU A 51 18.960 -13.492 -1.882 1.00 11.14 O ATOM 0 H GLU A 51 17.052 -9.519 -3.719 1.00 12.43 H new ATOM 0 HA GLU A 51 14.598 -9.894 -2.312 1.00 64.14 H new ATOM 0 HB2 GLU A 51 15.581 -12.135 -1.841 1.00 32.31 H new ATOM 0 HB3 GLU A 51 15.619 -11.713 -3.542 1.00 32.31 H new ATOM 0 HG2 GLU A 51 17.947 -11.364 -3.543 1.00 12.11 H new ATOM 0 HG3 GLU A 51 18.019 -11.153 -1.805 1.00 12.11 H new ATOM 777 N GLU A 52 17.070 -8.853 -0.613 1.00 73.14 N ATOM 778 CA GLU A 52 17.547 -8.480 0.713 1.00 33.01 C ATOM 779 C GLU A 52 16.905 -7.175 1.175 1.00 11.10 C ATOM 780 O GLU A 52 16.444 -7.067 2.311 1.00 55.34 O ATOM 781 CB GLU A 52 19.070 -8.339 0.711 1.00 43.15 C ATOM 782 CG GLU A 52 19.655 -8.028 2.078 1.00 2.00 C ATOM 783 CD GLU A 52 21.131 -8.363 2.171 1.00 21.12 C ATOM 784 OE1 GLU A 52 21.958 -7.522 1.762 1.00 61.03 O ATOM 785 OE2 GLU A 52 21.459 -9.467 2.654 1.00 33.34 O ATOM 0 H GLU A 52 17.561 -8.396 -1.382 1.00 73.14 H new ATOM 0 HA GLU A 52 17.264 -9.270 1.408 1.00 33.01 H new ATOM 0 HB2 GLU A 52 19.511 -9.263 0.338 1.00 43.15 H new ATOM 0 HB3 GLU A 52 19.352 -7.548 0.016 1.00 43.15 H new ATOM 0 HG2 GLU A 52 19.512 -6.970 2.298 1.00 2.00 H new ATOM 0 HG3 GLU A 52 19.111 -8.588 2.838 1.00 2.00 H new ATOM 792 N GLU A 53 16.881 -6.187 0.286 1.00 75.02 N ATOM 793 CA GLU A 53 16.297 -4.889 0.603 1.00 52.01 C ATOM 794 C GLU A 53 14.792 -4.892 0.348 1.00 22.22 C ATOM 795 O GLU A 53 14.000 -4.586 1.239 1.00 12.14 O ATOM 796 CB GLU A 53 16.963 -3.789 -0.226 1.00 61.03 C ATOM 797 CG GLU A 53 17.402 -2.589 0.596 1.00 43.24 C ATOM 798 CD GLU A 53 16.343 -2.139 1.583 1.00 40.21 C ATOM 799 OE1 GLU A 53 15.142 -2.261 1.263 1.00 64.23 O ATOM 800 OE2 GLU A 53 16.716 -1.664 2.676 1.00 34.24 O ATOM 0 H GLU A 53 17.259 -6.261 -0.659 1.00 75.02 H new ATOM 0 HA GLU A 53 16.469 -4.691 1.661 1.00 52.01 H new ATOM 0 HB2 GLU A 53 17.831 -4.206 -0.737 1.00 61.03 H new ATOM 0 HB3 GLU A 53 16.268 -3.456 -0.997 1.00 61.03 H new ATOM 0 HG2 GLU A 53 18.315 -2.838 1.137 1.00 43.24 H new ATOM 0 HG3 GLU A 53 17.644 -1.763 -0.074 1.00 43.24 H new ATOM 807 N PHE A 54 14.406 -5.240 -0.875 1.00 12.03 N ATOM 808 CA PHE A 54 12.997 -5.282 -1.248 1.00 51.24 C ATOM 809 C PHE A 54 12.339 -6.565 -0.748 1.00 44.31 C ATOM 810 O PHE A 54 11.136 -6.765 -0.917 1.00 4.14 O ATOM 811 CB PHE A 54 12.847 -5.177 -2.768 1.00 30.54 C ATOM 812 CG PHE A 54 12.974 -3.774 -3.288 1.00 24.15 C ATOM 813 CD1 PHE A 54 11.918 -2.884 -3.183 1.00 12.11 C ATOM 814 CD2 PHE A 54 14.151 -3.345 -3.880 1.00 71.03 C ATOM 815 CE1 PHE A 54 12.032 -1.592 -3.661 1.00 64.33 C ATOM 816 CE2 PHE A 54 14.271 -2.054 -4.360 1.00 65.42 C ATOM 817 CZ PHE A 54 13.211 -1.177 -4.249 1.00 50.35 C ATOM 0 H PHE A 54 15.049 -5.497 -1.624 1.00 12.03 H new ATOM 0 HA PHE A 54 12.498 -4.433 -0.781 1.00 51.24 H new ATOM 0 HB2 PHE A 54 13.603 -5.802 -3.244 1.00 30.54 H new ATOM 0 HB3 PHE A 54 11.875 -5.577 -3.057 1.00 30.54 H new ATOM 0 HD1 PHE A 54 10.995 -3.203 -2.722 1.00 12.11 H new ATOM 0 HD2 PHE A 54 14.984 -4.027 -3.967 1.00 71.03 H new ATOM 0 HE1 PHE A 54 11.201 -0.908 -3.575 1.00 64.33 H new ATOM 0 HE2 PHE A 54 15.193 -1.732 -4.821 1.00 65.42 H new ATOM 0 HZ PHE A 54 13.303 -0.167 -4.621 1.00 50.35 H new ATOM 827 N ASP A 55 13.138 -7.430 -0.133 1.00 34.20 N ATOM 828 CA ASP A 55 12.634 -8.694 0.393 1.00 65.02 C ATOM 829 C ASP A 55 11.839 -9.446 -0.670 1.00 23.54 C ATOM 830 O ASP A 55 10.864 -10.132 -0.362 1.00 14.14 O ATOM 831 CB ASP A 55 11.760 -8.447 1.623 1.00 73.12 C ATOM 832 CG ASP A 55 12.578 -8.178 2.871 1.00 73.15 C ATOM 833 OD1 ASP A 55 13.627 -8.833 3.045 1.00 33.24 O ATOM 834 OD2 ASP A 55 12.170 -7.312 3.672 1.00 55.23 O ATOM 0 H ASP A 55 14.136 -7.280 0.014 1.00 34.20 H new ATOM 0 HA ASP A 55 13.489 -9.306 0.682 1.00 65.02 H new ATOM 0 HB2 ASP A 55 11.103 -7.599 1.433 1.00 73.12 H new ATOM 0 HB3 ASP A 55 11.121 -9.314 1.791 1.00 73.12 H new ATOM 839 N THR A 56 12.262 -9.313 -1.923 1.00 60.30 N ATOM 840 CA THR A 56 11.589 -9.978 -3.031 1.00 73.24 C ATOM 841 C THR A 56 11.801 -11.487 -2.978 1.00 53.22 C ATOM 842 O THR A 56 11.069 -12.248 -3.610 1.00 51.33 O ATOM 843 CB THR A 56 12.086 -9.449 -4.390 1.00 1.12 C ATOM 844 OG1 THR A 56 13.505 -9.259 -4.352 1.00 31.41 O ATOM 845 CG2 THR A 56 11.403 -8.136 -4.742 1.00 3.11 C ATOM 0 H THR A 56 13.068 -8.750 -2.196 1.00 60.30 H new ATOM 0 HA THR A 56 10.526 -9.759 -2.931 1.00 73.24 H new ATOM 0 HB THR A 56 11.838 -10.185 -5.154 1.00 1.12 H new ATOM 0 HG1 THR A 56 13.818 -8.955 -5.229 1.00 31.41 H new ATOM 0 HG21 THR A 56 11.770 -7.782 -5.705 1.00 3.11 H new ATOM 0 HG22 THR A 56 10.325 -8.290 -4.798 1.00 3.11 H new ATOM 0 HG23 THR A 56 11.624 -7.394 -3.975 1.00 3.11 H new ATOM 853 N GLU A 57 12.806 -11.912 -2.220 1.00 21.24 N ATOM 854 CA GLU A 57 13.113 -13.331 -2.085 1.00 22.31 C ATOM 855 C GLU A 57 13.319 -13.976 -3.453 1.00 12.41 C ATOM 856 O GLU A 57 13.135 -15.182 -3.616 1.00 62.20 O ATOM 857 CB GLU A 57 11.990 -14.050 -1.334 1.00 42.11 C ATOM 858 CG GLU A 57 12.444 -14.702 -0.039 1.00 63.42 C ATOM 859 CD GLU A 57 12.334 -13.772 1.153 1.00 51.21 C ATOM 860 OE1 GLU A 57 11.245 -13.711 1.760 1.00 34.33 O ATOM 861 OE2 GLU A 57 13.338 -13.104 1.478 1.00 30.14 O ATOM 0 H GLU A 57 13.421 -11.295 -1.690 1.00 21.24 H new ATOM 0 HA GLU A 57 14.038 -13.423 -1.516 1.00 22.31 H new ATOM 0 HB2 GLU A 57 11.197 -13.336 -1.113 1.00 42.11 H new ATOM 0 HB3 GLU A 57 11.560 -14.812 -1.984 1.00 42.11 H new ATOM 0 HG2 GLU A 57 11.844 -15.593 0.144 1.00 63.42 H new ATOM 0 HG3 GLU A 57 13.478 -15.030 -0.145 1.00 63.42 H new ATOM 868 N ILE A 58 13.700 -13.162 -4.432 1.00 22.31 N ATOM 869 CA ILE A 58 13.931 -13.652 -5.785 1.00 62.51 C ATOM 870 C ILE A 58 14.726 -14.954 -5.770 1.00 50.22 C ATOM 871 O ILE A 58 15.938 -14.968 -5.553 1.00 12.30 O ATOM 872 CB ILE A 58 14.683 -12.615 -6.639 1.00 41.41 C ATOM 873 CG1 ILE A 58 13.814 -11.375 -6.857 1.00 15.44 C ATOM 874 CG2 ILE A 58 15.092 -13.222 -7.973 1.00 32.13 C ATOM 875 CD1 ILE A 58 12.520 -11.664 -7.585 1.00 51.13 C ATOM 0 H ILE A 58 13.855 -12.161 -4.313 1.00 22.31 H new ATOM 0 HA ILE A 58 12.951 -13.832 -6.227 1.00 62.51 H new ATOM 0 HB ILE A 58 15.586 -12.315 -6.107 1.00 41.41 H new ATOM 0 HG12 ILE A 58 13.585 -10.927 -5.890 1.00 15.44 H new ATOM 0 HG13 ILE A 58 14.383 -10.638 -7.423 1.00 15.44 H new ATOM 0 HG21 ILE A 58 15.622 -12.476 -8.565 1.00 32.13 H new ATOM 0 HG22 ILE A 58 15.744 -14.078 -7.799 1.00 32.13 H new ATOM 0 HG23 ILE A 58 14.203 -13.548 -8.513 1.00 32.13 H new ATOM 0 HD11 ILE A 58 11.955 -10.739 -7.704 1.00 51.13 H new ATOM 0 HD12 ILE A 58 12.741 -12.084 -8.567 1.00 51.13 H new ATOM 0 HD13 ILE A 58 11.930 -12.378 -7.010 1.00 51.13 H new ATOM 887 N PRO A 59 14.030 -16.075 -6.008 1.00 74.24 N ATOM 888 CA PRO A 59 14.650 -17.403 -6.030 1.00 45.13 C ATOM 889 C PRO A 59 15.563 -17.596 -7.237 1.00 32.53 C ATOM 890 O PRO A 59 15.871 -16.644 -7.953 1.00 4.33 O ATOM 891 CB PRO A 59 13.453 -18.353 -6.108 1.00 31.25 C ATOM 892 CG PRO A 59 12.370 -17.548 -6.739 1.00 3.22 C ATOM 893 CD PRO A 59 12.583 -16.133 -6.275 1.00 74.23 C ATOM 0 HA PRO A 59 15.287 -17.570 -5.161 1.00 45.13 H new ATOM 0 HB2 PRO A 59 13.687 -19.236 -6.702 1.00 31.25 H new ATOM 0 HB3 PRO A 59 13.160 -18.703 -5.118 1.00 31.25 H new ATOM 0 HG2 PRO A 59 12.417 -17.614 -7.826 1.00 3.22 H new ATOM 0 HG3 PRO A 59 11.387 -17.913 -6.440 1.00 3.22 H new ATOM 0 HD2 PRO A 59 12.286 -15.412 -7.036 1.00 74.23 H new ATOM 0 HD3 PRO A 59 12.000 -15.911 -5.381 1.00 74.23 H new ATOM 901 N ASP A 60 15.991 -18.835 -7.456 1.00 53.22 N ATOM 902 CA ASP A 60 16.867 -19.153 -8.578 1.00 31.45 C ATOM 903 C ASP A 60 16.129 -19.001 -9.904 1.00 60.20 C ATOM 904 O ASP A 60 16.588 -18.297 -10.803 1.00 21.23 O ATOM 905 CB ASP A 60 17.408 -20.578 -8.441 1.00 52.41 C ATOM 906 CG ASP A 60 16.324 -21.577 -8.088 1.00 21.12 C ATOM 907 OD1 ASP A 60 15.862 -21.565 -6.928 1.00 73.00 O ATOM 908 OD2 ASP A 60 15.939 -22.372 -8.971 1.00 31.12 O ATOM 0 H ASP A 60 15.746 -19.635 -6.872 1.00 53.22 H new ATOM 0 HA ASP A 60 17.702 -18.452 -8.566 1.00 31.45 H new ATOM 0 HB2 ASP A 60 17.881 -20.875 -9.377 1.00 52.41 H new ATOM 0 HB3 ASP A 60 18.181 -20.598 -7.672 1.00 52.41 H new ATOM 913 N GLU A 61 14.984 -19.667 -10.018 1.00 61.14 N ATOM 914 CA GLU A 61 14.184 -19.607 -11.236 1.00 44.43 C ATOM 915 C GLU A 61 13.926 -18.160 -11.646 1.00 52.50 C ATOM 916 O GLU A 61 14.103 -17.792 -12.807 1.00 12.11 O ATOM 917 CB GLU A 61 12.855 -20.337 -11.037 1.00 32.03 C ATOM 918 CG GLU A 61 12.096 -19.893 -9.797 1.00 44.12 C ATOM 919 CD GLU A 61 10.957 -20.829 -9.444 1.00 11.20 C ATOM 920 OE1 GLU A 61 10.053 -21.009 -10.287 1.00 2.34 O ATOM 921 OE2 GLU A 61 10.969 -21.382 -8.324 1.00 45.41 O ATOM 0 H GLU A 61 14.590 -20.254 -9.283 1.00 61.14 H new ATOM 0 HA GLU A 61 14.744 -20.098 -12.032 1.00 44.43 H new ATOM 0 HB2 GLU A 61 12.227 -20.177 -11.914 1.00 32.03 H new ATOM 0 HB3 GLU A 61 13.045 -21.408 -10.972 1.00 32.03 H new ATOM 0 HG2 GLU A 61 12.786 -19.833 -8.955 1.00 44.12 H new ATOM 0 HG3 GLU A 61 11.701 -18.890 -9.957 1.00 44.12 H new ATOM 928 N GLU A 62 13.505 -17.344 -10.684 1.00 24.22 N ATOM 929 CA GLU A 62 13.221 -15.938 -10.945 1.00 60.11 C ATOM 930 C GLU A 62 14.509 -15.160 -11.199 1.00 23.45 C ATOM 931 O GLU A 62 14.551 -14.266 -12.043 1.00 31.21 O ATOM 932 CB GLU A 62 12.463 -15.321 -9.768 1.00 10.11 C ATOM 933 CG GLU A 62 11.132 -15.995 -9.480 1.00 61.31 C ATOM 934 CD GLU A 62 10.125 -15.799 -10.597 1.00 22.22 C ATOM 935 OE1 GLU A 62 10.299 -16.417 -11.668 1.00 54.31 O ATOM 936 OE2 GLU A 62 9.163 -15.028 -10.399 1.00 2.35 O ATOM 0 H GLU A 62 13.353 -17.633 -9.718 1.00 24.22 H new ATOM 0 HA GLU A 62 12.600 -15.879 -11.839 1.00 60.11 H new ATOM 0 HB2 GLU A 62 13.088 -15.374 -8.876 1.00 10.11 H new ATOM 0 HB3 GLU A 62 12.289 -14.265 -9.973 1.00 10.11 H new ATOM 0 HG2 GLU A 62 11.295 -17.062 -9.326 1.00 61.31 H new ATOM 0 HG3 GLU A 62 10.721 -15.598 -8.552 1.00 61.31 H new ATOM 943 N ALA A 63 15.558 -15.508 -10.460 1.00 63.13 N ATOM 944 CA ALA A 63 16.848 -14.845 -10.605 1.00 50.44 C ATOM 945 C ALA A 63 17.300 -14.835 -12.062 1.00 15.41 C ATOM 946 O ALA A 63 17.752 -13.811 -12.573 1.00 62.13 O ATOM 947 CB ALA A 63 17.892 -15.524 -9.732 1.00 2.13 C ATOM 0 H ALA A 63 15.539 -16.245 -9.755 1.00 63.13 H new ATOM 0 HA ALA A 63 16.735 -13.811 -10.280 1.00 50.44 H new ATOM 0 HB1 ALA A 63 18.850 -15.018 -9.851 1.00 2.13 H new ATOM 0 HB2 ALA A 63 17.582 -15.474 -8.688 1.00 2.13 H new ATOM 0 HB3 ALA A 63 17.993 -16.567 -10.031 1.00 2.13 H new ATOM 953 N GLU A 64 17.174 -15.981 -12.724 1.00 14.34 N ATOM 954 CA GLU A 64 17.571 -16.103 -14.121 1.00 52.54 C ATOM 955 C GLU A 64 16.839 -15.080 -14.986 1.00 44.30 C ATOM 956 O GLU A 64 17.319 -14.695 -16.053 1.00 10.45 O ATOM 957 CB GLU A 64 17.287 -17.516 -14.634 1.00 20.01 C ATOM 958 CG GLU A 64 18.408 -18.502 -14.351 1.00 73.44 C ATOM 959 CD GLU A 64 18.080 -19.907 -14.819 1.00 20.35 C ATOM 960 OE1 GLU A 64 17.522 -20.048 -15.927 1.00 64.12 O ATOM 961 OE2 GLU A 64 18.380 -20.865 -14.076 1.00 65.22 O ATOM 0 H GLU A 64 16.800 -16.837 -12.315 1.00 14.34 H new ATOM 0 HA GLU A 64 18.642 -15.909 -14.186 1.00 52.54 H new ATOM 0 HB2 GLU A 64 16.368 -17.882 -14.176 1.00 20.01 H new ATOM 0 HB3 GLU A 64 17.113 -17.475 -15.709 1.00 20.01 H new ATOM 0 HG2 GLU A 64 19.319 -18.162 -14.844 1.00 73.44 H new ATOM 0 HG3 GLU A 64 18.612 -18.518 -13.280 1.00 73.44 H new ATOM 968 N LYS A 65 15.674 -14.644 -14.519 1.00 5.14 N ATOM 969 CA LYS A 65 14.875 -13.666 -15.247 1.00 2.54 C ATOM 970 C LYS A 65 15.408 -12.254 -15.024 1.00 11.31 C ATOM 971 O LYS A 65 15.550 -11.478 -15.969 1.00 40.24 O ATOM 972 CB LYS A 65 13.411 -13.745 -14.808 1.00 41.31 C ATOM 973 CG LYS A 65 12.898 -15.166 -14.656 1.00 73.13 C ATOM 974 CD LYS A 65 11.381 -15.222 -14.732 1.00 62.44 C ATOM 975 CE LYS A 65 10.887 -15.027 -16.158 1.00 0.45 C ATOM 976 NZ LYS A 65 11.312 -16.140 -17.050 1.00 21.41 N ATOM 0 H LYS A 65 15.262 -14.953 -13.639 1.00 5.14 H new ATOM 0 HA LYS A 65 14.942 -13.897 -16.310 1.00 2.54 H new ATOM 0 HB2 LYS A 65 13.296 -13.223 -13.858 1.00 41.31 H new ATOM 0 HB3 LYS A 65 12.793 -13.220 -15.537 1.00 41.31 H new ATOM 0 HG2 LYS A 65 13.326 -15.794 -15.438 1.00 73.13 H new ATOM 0 HG3 LYS A 65 13.231 -15.574 -13.702 1.00 73.13 H new ATOM 0 HD2 LYS A 65 11.032 -16.182 -14.353 1.00 62.44 H new ATOM 0 HD3 LYS A 65 10.955 -14.452 -14.089 1.00 62.44 H new ATOM 0 HE2 LYS A 65 9.799 -14.956 -16.159 1.00 0.45 H new ATOM 0 HE3 LYS A 65 11.268 -14.083 -16.548 1.00 0.45 H new ATOM 0 HZ1 LYS A 65 10.713 -16.152 -17.900 1.00 21.41 H new ATOM 0 HZ2 LYS A 65 12.305 -16.002 -17.328 1.00 21.41 H new ATOM 0 HZ3 LYS A 65 11.216 -17.045 -16.546 1.00 21.41 H new ATOM 990 N ILE A 66 15.702 -11.928 -13.770 1.00 32.24 N ATOM 991 CA ILE A 66 16.221 -10.611 -13.425 1.00 3.34 C ATOM 992 C ILE A 66 17.669 -10.455 -13.876 1.00 64.23 C ATOM 993 O ILE A 66 18.596 -10.544 -13.070 1.00 44.23 O ATOM 994 CB ILE A 66 16.138 -10.352 -11.909 1.00 14.13 C ATOM 995 CG1 ILE A 66 14.702 -10.545 -11.415 1.00 3.32 C ATOM 996 CG2 ILE A 66 16.632 -8.951 -11.583 1.00 0.45 C ATOM 997 CD1 ILE A 66 13.696 -9.667 -12.125 1.00 72.13 C ATOM 0 H ILE A 66 15.589 -12.558 -12.976 1.00 32.24 H new ATOM 0 HA ILE A 66 15.600 -9.882 -13.945 1.00 3.34 H new ATOM 0 HB ILE A 66 16.779 -11.070 -11.397 1.00 14.13 H new ATOM 0 HG12 ILE A 66 14.418 -11.589 -11.547 1.00 3.32 H new ATOM 0 HG13 ILE A 66 14.663 -10.337 -10.346 1.00 3.32 H new ATOM 0 HG21 ILE A 66 16.567 -8.783 -10.508 1.00 0.45 H new ATOM 0 HG22 ILE A 66 17.668 -8.847 -11.905 1.00 0.45 H new ATOM 0 HG23 ILE A 66 16.015 -8.218 -12.103 1.00 0.45 H new ATOM 0 HD11 ILE A 66 12.700 -9.857 -11.724 1.00 72.13 H new ATOM 0 HD12 ILE A 66 13.955 -8.619 -11.972 1.00 72.13 H new ATOM 0 HD13 ILE A 66 13.706 -9.891 -13.192 1.00 72.13 H new ATOM 1009 N THR A 67 17.858 -10.221 -15.171 1.00 52.23 N ATOM 1010 CA THR A 67 19.193 -10.052 -15.731 1.00 53.22 C ATOM 1011 C THR A 67 19.432 -8.608 -16.157 1.00 12.45 C ATOM 1012 O THR A 67 20.571 -8.195 -16.379 1.00 54.12 O ATOM 1013 CB THR A 67 19.414 -10.976 -16.944 1.00 5.43 C ATOM 1014 OG1 THR A 67 18.333 -10.834 -17.872 1.00 2.13 O ATOM 1015 CG2 THR A 67 19.525 -12.428 -16.504 1.00 45.24 C ATOM 0 H THR A 67 17.103 -10.144 -15.852 1.00 52.23 H new ATOM 0 HA THR A 67 19.901 -10.318 -14.946 1.00 53.22 H new ATOM 0 HB THR A 67 20.347 -10.687 -17.428 1.00 5.43 H new ATOM 0 HG1 THR A 67 18.482 -11.423 -18.641 1.00 2.13 H new ATOM 0 HG21 THR A 67 19.681 -13.062 -17.377 1.00 45.24 H new ATOM 0 HG22 THR A 67 20.367 -12.538 -15.821 1.00 45.24 H new ATOM 0 HG23 THR A 67 18.607 -12.726 -15.998 1.00 45.24 H new ATOM 1023 N THR A 68 18.351 -7.841 -16.268 1.00 30.55 N ATOM 1024 CA THR A 68 18.443 -6.443 -16.667 1.00 3.23 C ATOM 1025 C THR A 68 17.828 -5.529 -15.613 1.00 42.33 C ATOM 1026 O THR A 68 17.394 -5.987 -14.557 1.00 14.25 O ATOM 1027 CB THR A 68 17.743 -6.196 -18.016 1.00 73.42 C ATOM 1028 OG1 THR A 68 16.333 -6.406 -17.882 1.00 34.33 O ATOM 1029 CG2 THR A 68 18.298 -7.119 -19.091 1.00 33.34 C ATOM 0 H THR A 68 17.401 -8.166 -16.087 1.00 30.55 H new ATOM 0 HA THR A 68 19.504 -6.213 -16.770 1.00 3.23 H new ATOM 0 HB THR A 68 17.930 -5.164 -18.313 1.00 73.42 H new ATOM 0 HG1 THR A 68 15.895 -6.245 -18.744 1.00 34.33 H new ATOM 0 HG21 THR A 68 17.788 -6.926 -20.035 1.00 33.34 H new ATOM 0 HG22 THR A 68 19.366 -6.937 -19.211 1.00 33.34 H new ATOM 0 HG23 THR A 68 18.138 -8.157 -18.798 1.00 33.34 H new ATOM 1037 N VAL A 69 17.794 -4.233 -15.908 1.00 53.12 N ATOM 1038 CA VAL A 69 17.230 -3.254 -14.987 1.00 13.13 C ATOM 1039 C VAL A 69 15.706 -3.256 -15.048 1.00 3.24 C ATOM 1040 O VAL A 69 15.036 -3.473 -14.039 1.00 31.33 O ATOM 1041 CB VAL A 69 17.743 -1.834 -15.293 1.00 31.34 C ATOM 1042 CG1 VAL A 69 17.144 -0.829 -14.321 1.00 52.22 C ATOM 1043 CG2 VAL A 69 19.263 -1.796 -15.243 1.00 11.40 C ATOM 0 H VAL A 69 18.151 -3.837 -16.778 1.00 53.12 H new ATOM 0 HA VAL A 69 17.551 -3.540 -13.986 1.00 13.13 H new ATOM 0 HB VAL A 69 17.428 -1.561 -16.300 1.00 31.34 H new ATOM 0 HG11 VAL A 69 17.518 0.168 -14.553 1.00 52.22 H new ATOM 0 HG12 VAL A 69 16.058 -0.839 -14.410 1.00 52.22 H new ATOM 0 HG13 VAL A 69 17.427 -1.095 -13.302 1.00 52.22 H new ATOM 0 HG21 VAL A 69 19.609 -0.786 -15.461 1.00 11.40 H new ATOM 0 HG22 VAL A 69 19.602 -2.089 -14.249 1.00 11.40 H new ATOM 0 HG23 VAL A 69 19.669 -2.486 -15.983 1.00 11.40 H new ATOM 1053 N GLN A 70 15.167 -3.013 -16.238 1.00 11.44 N ATOM 1054 CA GLN A 70 13.722 -2.986 -16.430 1.00 33.23 C ATOM 1055 C GLN A 70 13.071 -4.234 -15.841 1.00 4.44 C ATOM 1056 O GLN A 70 11.992 -4.164 -15.254 1.00 73.43 O ATOM 1057 CB GLN A 70 13.386 -2.876 -17.918 1.00 12.00 C ATOM 1058 CG GLN A 70 11.893 -2.862 -18.205 1.00 41.43 C ATOM 1059 CD GLN A 70 11.246 -1.533 -17.867 1.00 4.21 C ATOM 1060 OE1 GLN A 70 11.086 -1.264 -16.577 1.00 33.35 O flip ATOM 1061 NE2 GLN A 70 10.895 -0.756 -18.756 1.00 11.25 N flip ATOM 0 H GLN A 70 15.709 -2.832 -17.083 1.00 11.44 H new ATOM 0 HA GLN A 70 13.328 -2.113 -15.910 1.00 33.23 H new ATOM 0 HB2 GLN A 70 13.833 -1.965 -18.316 1.00 12.00 H new ATOM 0 HB3 GLN A 70 13.842 -3.713 -18.448 1.00 12.00 H new ATOM 0 HG2 GLN A 70 11.727 -3.085 -19.259 1.00 41.43 H new ATOM 0 HG3 GLN A 70 11.409 -3.653 -17.632 1.00 41.43 H new ATOM 0 HE21 GLN A 70 11.037 -1.004 -19.735 1.00 11.25 H new ATOM 0 HE22 GLN A 70 10.462 0.135 -18.513 1.00 11.25 H new ATOM 1070 N ALA A 71 13.736 -5.373 -16.001 1.00 71.30 N ATOM 1071 CA ALA A 71 13.223 -6.636 -15.484 1.00 2.24 C ATOM 1072 C ALA A 71 13.172 -6.624 -13.960 1.00 15.04 C ATOM 1073 O ALA A 71 12.143 -6.939 -13.362 1.00 0.34 O ATOM 1074 CB ALA A 71 14.078 -7.794 -15.976 1.00 25.04 C ATOM 0 H ALA A 71 14.631 -5.447 -16.484 1.00 71.30 H new ATOM 0 HA ALA A 71 12.206 -6.766 -15.855 1.00 2.24 H new ATOM 0 HB1 ALA A 71 13.683 -8.731 -15.582 1.00 25.04 H new ATOM 0 HB2 ALA A 71 14.060 -7.822 -17.065 1.00 25.04 H new ATOM 0 HB3 ALA A 71 15.104 -7.660 -15.633 1.00 25.04 H new ATOM 1080 N ALA A 72 14.288 -6.260 -13.337 1.00 53.30 N ATOM 1081 CA ALA A 72 14.369 -6.206 -11.883 1.00 14.23 C ATOM 1082 C ALA A 72 13.384 -5.189 -11.315 1.00 41.14 C ATOM 1083 O ALA A 72 12.525 -5.530 -10.502 1.00 12.01 O ATOM 1084 CB ALA A 72 15.787 -5.871 -11.445 1.00 31.31 C ATOM 0 H ALA A 72 15.149 -5.998 -13.817 1.00 53.30 H new ATOM 0 HA ALA A 72 14.102 -7.188 -11.493 1.00 14.23 H new ATOM 0 HB1 ALA A 72 15.832 -5.834 -10.357 1.00 31.31 H new ATOM 0 HB2 ALA A 72 16.471 -6.636 -11.811 1.00 31.31 H new ATOM 0 HB3 ALA A 72 16.075 -4.902 -11.853 1.00 31.31 H new ATOM 1090 N ILE A 73 13.515 -3.940 -11.749 1.00 4.21 N ATOM 1091 CA ILE A 73 12.637 -2.874 -11.284 1.00 14.11 C ATOM 1092 C ILE A 73 11.170 -3.254 -11.461 1.00 44.44 C ATOM 1093 O ILE A 73 10.324 -2.906 -10.637 1.00 43.14 O ATOM 1094 CB ILE A 73 12.908 -1.555 -12.031 1.00 14.42 C ATOM 1095 CG1 ILE A 73 12.129 -0.408 -11.384 1.00 14.41 C ATOM 1096 CG2 ILE A 73 12.537 -1.692 -13.500 1.00 13.11 C ATOM 1097 CD1 ILE A 73 12.954 0.415 -10.420 1.00 11.25 C ATOM 0 H ILE A 73 14.221 -3.642 -12.422 1.00 4.21 H new ATOM 0 HA ILE A 73 12.848 -2.731 -10.224 1.00 14.11 H new ATOM 0 HB ILE A 73 13.972 -1.329 -11.965 1.00 14.42 H new ATOM 0 HG12 ILE A 73 11.742 0.244 -12.167 1.00 14.41 H new ATOM 0 HG13 ILE A 73 11.268 -0.817 -10.855 1.00 14.41 H new ATOM 0 HG21 ILE A 73 12.734 -0.751 -14.014 1.00 13.11 H new ATOM 0 HG22 ILE A 73 13.132 -2.485 -13.953 1.00 13.11 H new ATOM 0 HG23 ILE A 73 11.479 -1.938 -13.587 1.00 13.11 H new ATOM 0 HD11 ILE A 73 12.337 1.209 -10.000 1.00 11.25 H new ATOM 0 HD12 ILE A 73 13.320 -0.224 -9.616 1.00 11.25 H new ATOM 0 HD13 ILE A 73 13.801 0.854 -10.948 1.00 11.25 H new ATOM 1109 N ASP A 74 10.877 -3.970 -12.541 1.00 22.33 N ATOM 1110 CA ASP A 74 9.513 -4.401 -12.826 1.00 3.44 C ATOM 1111 C ASP A 74 9.044 -5.431 -11.804 1.00 20.34 C ATOM 1112 O ASP A 74 7.890 -5.414 -11.375 1.00 21.25 O ATOM 1113 CB ASP A 74 9.424 -4.985 -14.236 1.00 63.40 C ATOM 1114 CG ASP A 74 8.022 -5.445 -14.585 1.00 24.43 C ATOM 1115 OD1 ASP A 74 7.100 -4.604 -14.566 1.00 54.12 O ATOM 1116 OD2 ASP A 74 7.848 -6.647 -14.877 1.00 2.21 O ATOM 0 H ASP A 74 11.566 -4.264 -13.234 1.00 22.33 H new ATOM 0 HA ASP A 74 8.862 -3.529 -12.761 1.00 3.44 H new ATOM 0 HB2 ASP A 74 9.747 -4.235 -14.958 1.00 63.40 H new ATOM 0 HB3 ASP A 74 10.111 -5.827 -14.321 1.00 63.40 H new ATOM 1121 N TYR A 75 9.945 -6.328 -11.419 1.00 3.01 N ATOM 1122 CA TYR A 75 9.623 -7.369 -10.450 1.00 52.20 C ATOM 1123 C TYR A 75 9.312 -6.764 -9.084 1.00 74.23 C ATOM 1124 O TYR A 75 8.186 -6.855 -8.594 1.00 21.23 O ATOM 1125 CB TYR A 75 10.782 -8.360 -10.329 1.00 51.54 C ATOM 1126 CG TYR A 75 10.372 -9.707 -9.779 1.00 50.04 C ATOM 1127 CD1 TYR A 75 9.810 -9.821 -8.514 1.00 25.42 C ATOM 1128 CD2 TYR A 75 10.545 -10.866 -10.526 1.00 45.13 C ATOM 1129 CE1 TYR A 75 9.435 -11.051 -8.007 1.00 43.43 C ATOM 1130 CE2 TYR A 75 10.172 -12.099 -10.028 1.00 71.24 C ATOM 1131 CZ TYR A 75 9.618 -12.186 -8.768 1.00 72.43 C ATOM 1132 OH TYR A 75 9.244 -13.413 -8.268 1.00 1.52 O ATOM 0 H TYR A 75 10.905 -6.355 -11.763 1.00 3.01 H new ATOM 0 HA TYR A 75 8.738 -7.897 -10.804 1.00 52.20 H new ATOM 0 HB2 TYR A 75 11.233 -8.500 -11.311 1.00 51.54 H new ATOM 0 HB3 TYR A 75 11.549 -7.932 -9.684 1.00 51.54 H new ATOM 0 HD1 TYR A 75 9.664 -8.933 -7.916 1.00 25.42 H new ATOM 0 HD2 TYR A 75 10.979 -10.801 -11.513 1.00 45.13 H new ATOM 0 HE1 TYR A 75 9.001 -11.123 -7.021 1.00 43.43 H new ATOM 0 HE2 TYR A 75 10.313 -12.990 -10.622 1.00 71.24 H new ATOM 0 HH TYR A 75 9.165 -14.056 -9.004 1.00 1.52 H new ATOM 1142 N VAL A 76 10.318 -6.146 -8.475 1.00 1.40 N ATOM 1143 CA VAL A 76 10.154 -5.524 -7.167 1.00 15.34 C ATOM 1144 C VAL A 76 8.946 -4.593 -7.148 1.00 72.53 C ATOM 1145 O VAL A 76 8.175 -4.579 -6.189 1.00 43.05 O ATOM 1146 CB VAL A 76 11.408 -4.726 -6.762 1.00 71.53 C ATOM 1147 CG1 VAL A 76 12.574 -5.666 -6.492 1.00 54.44 C ATOM 1148 CG2 VAL A 76 11.766 -3.715 -7.840 1.00 41.24 C ATOM 0 H VAL A 76 11.256 -6.063 -8.867 1.00 1.40 H new ATOM 0 HA VAL A 76 9.999 -6.331 -6.451 1.00 15.34 H new ATOM 0 HB VAL A 76 11.191 -4.181 -5.843 1.00 71.53 H new ATOM 0 HG11 VAL A 76 13.451 -5.085 -6.207 1.00 54.44 H new ATOM 0 HG12 VAL A 76 12.312 -6.348 -5.683 1.00 54.44 H new ATOM 0 HG13 VAL A 76 12.795 -6.239 -7.392 1.00 54.44 H new ATOM 0 HG21 VAL A 76 12.654 -3.160 -7.538 1.00 41.24 H new ATOM 0 HG22 VAL A 76 11.965 -4.237 -8.776 1.00 41.24 H new ATOM 0 HG23 VAL A 76 10.936 -3.023 -7.980 1.00 41.24 H new ATOM 1158 N ASN A 77 8.787 -3.818 -8.216 1.00 0.21 N ATOM 1159 CA ASN A 77 7.672 -2.884 -8.323 1.00 2.41 C ATOM 1160 C ASN A 77 6.339 -3.625 -8.323 1.00 30.21 C ATOM 1161 O ASN A 77 5.368 -3.178 -7.713 1.00 51.41 O ATOM 1162 CB ASN A 77 7.802 -2.045 -9.596 1.00 65.53 C ATOM 1163 CG ASN A 77 6.706 -1.005 -9.718 1.00 73.35 C ATOM 1164 OD1 ASN A 77 5.520 -1.336 -9.735 1.00 21.22 O ATOM 1165 ND2 ASN A 77 7.098 0.260 -9.805 1.00 41.44 N ATOM 0 H ASN A 77 9.416 -3.818 -9.019 1.00 0.21 H new ATOM 0 HA ASN A 77 7.700 -2.224 -7.456 1.00 2.41 H new ATOM 0 HB2 ASN A 77 8.772 -1.549 -9.603 1.00 65.53 H new ATOM 0 HB3 ASN A 77 7.774 -2.702 -10.465 1.00 65.53 H new ATOM 0 HD21 ASN A 77 6.405 1.004 -9.890 1.00 41.44 H new ATOM 0 HD22 ASN A 77 8.092 0.488 -9.787 1.00 41.44 H new ATOM 1172 N SER A 78 6.300 -4.762 -9.011 1.00 24.03 N ATOM 1173 CA SER A 78 5.086 -5.565 -9.093 1.00 51.21 C ATOM 1174 C SER A 78 4.844 -6.319 -7.789 1.00 15.30 C ATOM 1175 O SER A 78 3.707 -6.657 -7.456 1.00 63.31 O ATOM 1176 CB SER A 78 5.181 -6.553 -10.257 1.00 34.32 C ATOM 1177 OG SER A 78 3.936 -7.192 -10.486 1.00 44.33 O ATOM 0 H SER A 78 7.096 -5.148 -9.520 1.00 24.03 H new ATOM 0 HA SER A 78 4.246 -4.892 -9.264 1.00 51.21 H new ATOM 0 HB2 SER A 78 5.495 -6.028 -11.159 1.00 34.32 H new ATOM 0 HB3 SER A 78 5.944 -7.302 -10.042 1.00 34.32 H new ATOM 0 HG SER A 78 4.022 -7.817 -11.236 1.00 44.33 H new ATOM 1183 N HIS A 79 5.920 -6.579 -7.054 1.00 43.51 N ATOM 1184 CA HIS A 79 5.826 -7.292 -5.785 1.00 70.04 C ATOM 1185 C HIS A 79 6.017 -6.338 -4.610 1.00 61.11 C ATOM 1186 O HIS A 79 6.956 -6.484 -3.828 1.00 11.32 O ATOM 1187 CB HIS A 79 6.868 -8.409 -5.726 1.00 4.14 C ATOM 1188 CG HIS A 79 6.595 -9.535 -6.675 1.00 45.51 C ATOM 1189 ND1 HIS A 79 6.428 -9.351 -8.032 1.00 22.25 N ATOM 1190 CD2 HIS A 79 6.462 -10.864 -6.457 1.00 45.15 C ATOM 1191 CE1 HIS A 79 6.202 -10.519 -8.607 1.00 4.31 C ATOM 1192 NE2 HIS A 79 6.219 -11.453 -7.674 1.00 34.24 N ATOM 0 H HIS A 79 6.868 -6.307 -7.315 1.00 43.51 H new ATOM 0 HA HIS A 79 4.830 -7.730 -5.715 1.00 70.04 H new ATOM 0 HB2 HIS A 79 7.850 -7.990 -5.945 1.00 4.14 H new ATOM 0 HB3 HIS A 79 6.909 -8.803 -4.710 1.00 4.14 H new ATOM 0 HD2 HIS A 79 6.534 -11.367 -5.504 1.00 45.15 H new ATOM 0 HE1 HIS A 79 6.032 -10.682 -9.661 1.00 4.31 H new ATOM 0 HE2 HIS A 79 6.075 -12.450 -7.831 1.00 34.24 H new ATOM 1200 N GLN A 80 5.122 -5.363 -4.494 1.00 15.00 N ATOM 1201 CA GLN A 80 5.194 -4.385 -3.415 1.00 15.11 C ATOM 1202 C GLN A 80 4.102 -4.636 -2.379 1.00 43.43 C ATOM 1203 O GLN A 80 3.276 -5.535 -2.538 1.00 21.02 O ATOM 1204 CB GLN A 80 5.066 -2.967 -3.974 1.00 43.12 C ATOM 1205 CG GLN A 80 3.867 -2.779 -4.890 1.00 22.25 C ATOM 1206 CD GLN A 80 3.626 -1.325 -5.244 1.00 75.20 C ATOM 1207 OE1 GLN A 80 2.707 -0.692 -4.724 1.00 13.33 O ATOM 1208 NE2 GLN A 80 4.451 -0.787 -6.134 1.00 64.40 N ATOM 0 H GLN A 80 4.339 -5.229 -5.133 1.00 15.00 H new ATOM 0 HA GLN A 80 6.163 -4.490 -2.928 1.00 15.11 H new ATOM 0 HB2 GLN A 80 4.992 -2.264 -3.144 1.00 43.12 H new ATOM 0 HB3 GLN A 80 5.974 -2.719 -4.523 1.00 43.12 H new ATOM 0 HG2 GLN A 80 4.020 -3.351 -5.805 1.00 22.25 H new ATOM 0 HG3 GLN A 80 2.978 -3.183 -4.406 1.00 22.25 H new ATOM 0 HE21 GLN A 80 5.200 -1.348 -6.540 1.00 64.40 H new ATOM 0 HE22 GLN A 80 4.336 0.188 -6.412 1.00 64.40 H new TER 1217 GLN A 80