USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 989 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.34) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 5 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : A 7 ASN : amide:sc= -0.353 K(o=-0.35,f=-0.97) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0488 (180deg=-0.271) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 1.13 (180deg=0.967) USER MOD Single : A 15 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.018) USER MOD Single : A 23 ASN : amide:sc= 0.927 K(o=0.93,f=0.0069) USER MOD Single : A 26 ASN : amide:sc= 0.0261 X(o=0.026,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.342 F(o=-2.6!,f=-0.34) USER MOD Single : A 34 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.0074) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0965) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0758) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 68 SER OG : rot 31:sc= 0.124 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 SER OG : rot 39:sc= 0.848 USER MOD Single : A 73 SER OG : rot -93:sc= 1.2 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -1.93! USER MOD Single : A 80 GLN : amide:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00691 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.4) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 115 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0114) USER MOD Single : A 118 SER OG : rot -98:sc= 1.23 USER MOD Single : A 119 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.12) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.931 3.807 9.930 1.00 13.41 N ATOM 2 CA GLY A 1 27.900 2.379 9.578 1.00 12.44 C ATOM 3 C GLY A 1 26.911 2.178 8.445 1.00 22.11 C ATOM 4 O GLY A 1 26.010 3.001 8.266 1.00 21.40 O ATOM 0 H1 GLY A 1 27.972 3.909 10.964 1.00 13.41 H new ATOM 0 H2 GLY A 1 28.770 4.251 9.505 1.00 13.41 H new ATOM 0 H3 GLY A 1 27.073 4.272 9.570 1.00 13.41 H new ATOM 0 HA2 GLY A 1 28.892 2.042 9.277 1.00 12.44 H new ATOM 0 HA3 GLY A 1 27.610 1.783 10.443 1.00 12.44 H new ATOM 8 N SER A 2 27.039 1.090 7.685 1.00 13.41 N ATOM 9 CA SER A 2 26.160 0.811 6.553 1.00 51.05 C ATOM 10 C SER A 2 25.619 -0.618 6.574 1.00 24.32 C ATOM 11 O SER A 2 25.624 -1.307 5.553 1.00 15.43 O ATOM 12 CB SER A 2 26.886 1.173 5.252 1.00 21.34 C ATOM 13 OG SER A 2 27.344 2.518 5.299 1.00 21.13 O ATOM 0 H SER A 2 27.754 0.379 7.838 1.00 13.41 H new ATOM 0 HA SER A 2 25.271 1.437 6.626 1.00 51.05 H new ATOM 0 HB2 SER A 2 27.730 0.500 5.099 1.00 21.34 H new ATOM 0 HB3 SER A 2 26.214 1.040 4.404 1.00 21.34 H new ATOM 0 HG SER A 2 27.807 2.735 4.463 1.00 21.13 H new ATOM 19 N ASN A 3 25.233 -1.104 7.755 1.00 44.52 N ATOM 20 CA ASN A 3 24.664 -2.442 7.894 1.00 40.25 C ATOM 21 C ASN A 3 23.188 -2.348 7.522 1.00 1.30 C ATOM 22 O ASN A 3 22.645 -1.255 7.347 1.00 73.41 O ATOM 23 CB ASN A 3 24.748 -2.964 9.338 1.00 12.01 C ATOM 24 CG ASN A 3 26.166 -3.210 9.807 1.00 31.14 C ATOM 25 OD1 ASN A 3 26.666 -4.330 9.775 1.00 24.44 O ATOM 26 ND2 ASN A 3 26.825 -2.170 10.276 1.00 53.03 N ATOM 0 H ASN A 3 25.305 -0.587 8.631 1.00 44.52 H new ATOM 0 HA ASN A 3 25.223 -3.124 7.253 1.00 40.25 H new ATOM 0 HB2 ASN A 3 24.272 -2.245 10.005 1.00 12.01 H new ATOM 0 HB3 ASN A 3 24.182 -3.892 9.414 1.00 12.01 H new ATOM 0 HD21 ASN A 3 27.777 -2.284 10.625 1.00 53.03 H new ATOM 0 HD22 ASN A 3 26.384 -1.251 10.290 1.00 53.03 H new ATOM 33 N GLN A 4 22.518 -3.485 7.404 1.00 31.41 N ATOM 34 CA GLN A 4 21.093 -3.538 7.103 1.00 21.54 C ATOM 35 C GLN A 4 20.312 -3.096 8.344 1.00 1.12 C ATOM 36 O GLN A 4 20.805 -3.274 9.469 1.00 12.51 O ATOM 37 CB GLN A 4 20.712 -4.967 6.692 1.00 4.15 C ATOM 38 CG GLN A 4 20.791 -5.905 7.902 1.00 44.43 C ATOM 39 CD GLN A 4 21.019 -7.359 7.531 1.00 20.24 C ATOM 40 OE1 GLN A 4 21.936 -7.673 6.772 1.00 31.44 O ATOM 41 NE2 GLN A 4 20.245 -8.278 8.074 1.00 15.10 N ATOM 0 H GLN A 4 22.949 -4.403 7.515 1.00 31.41 H new ATOM 0 HA GLN A 4 20.851 -2.870 6.277 1.00 21.54 H new ATOM 0 HB2 GLN A 4 19.703 -4.978 6.280 1.00 4.15 H new ATOM 0 HB3 GLN A 4 21.381 -5.318 5.906 1.00 4.15 H new ATOM 0 HG2 GLN A 4 21.599 -5.575 8.555 1.00 44.43 H new ATOM 0 HG3 GLN A 4 19.866 -5.825 8.474 1.00 44.43 H new ATOM 0 HE21 GLN A 4 19.489 -8.003 8.701 1.00 15.10 H new ATOM 0 HE22 GLN A 4 20.402 -9.264 7.867 1.00 15.10 H new ATOM 50 N GLN A 5 19.121 -2.524 8.164 1.00 75.32 N ATOM 51 CA GLN A 5 18.294 -2.130 9.291 1.00 62.41 C ATOM 52 C GLN A 5 17.590 -3.434 9.659 1.00 30.24 C ATOM 53 O GLN A 5 18.046 -4.126 10.572 1.00 3.33 O ATOM 54 CB GLN A 5 17.353 -0.960 8.956 1.00 21.03 C ATOM 55 CG GLN A 5 16.575 -0.459 10.178 1.00 54.30 C ATOM 56 CD GLN A 5 17.476 0.249 11.194 1.00 54.24 C ATOM 57 OE1 GLN A 5 17.887 1.391 10.998 1.00 51.23 O ATOM 58 NE2 GLN A 5 17.774 -0.390 12.317 1.00 24.30 N ATOM 0 H GLN A 5 18.714 -2.326 7.250 1.00 75.32 H new ATOM 0 HA GLN A 5 18.856 -1.723 10.131 1.00 62.41 H new ATOM 0 HB2 GLN A 5 17.935 -0.138 8.539 1.00 21.03 H new ATOM 0 HB3 GLN A 5 16.649 -1.274 8.186 1.00 21.03 H new ATOM 0 HG2 GLN A 5 15.792 0.226 9.851 1.00 54.30 H new ATOM 0 HG3 GLN A 5 16.080 -1.302 10.661 1.00 54.30 H new ATOM 0 HE21 GLN A 5 17.429 -1.337 12.472 1.00 24.30 H new ATOM 0 HE22 GLN A 5 18.348 0.066 13.026 1.00 24.30 H new ATOM 67 N LEU A 6 16.518 -3.805 8.957 1.00 75.30 N ATOM 68 CA LEU A 6 15.785 -5.025 9.203 1.00 72.24 C ATOM 69 C LEU A 6 14.908 -5.315 7.994 1.00 42.50 C ATOM 70 O LEU A 6 13.896 -4.640 7.814 1.00 25.24 O ATOM 71 CB LEU A 6 14.940 -4.890 10.482 1.00 74.24 C ATOM 72 CG LEU A 6 14.490 -6.281 10.940 1.00 12.23 C ATOM 73 CD1 LEU A 6 14.179 -6.247 12.433 1.00 72.40 C ATOM 74 CD2 LEU A 6 13.268 -6.835 10.190 1.00 13.45 C ATOM 0 H LEU A 6 16.137 -3.249 8.191 1.00 75.30 H new ATOM 0 HA LEU A 6 16.476 -5.855 9.353 1.00 72.24 H new ATOM 0 HB2 LEU A 6 15.522 -4.407 11.267 1.00 74.24 H new ATOM 0 HB3 LEU A 6 14.072 -4.258 10.293 1.00 74.24 H new ATOM 0 HG LEU A 6 15.319 -6.951 10.714 1.00 12.23 H new ATOM 0 HD11 LEU A 6 13.859 -7.236 12.761 1.00 72.40 H new ATOM 0 HD12 LEU A 6 15.073 -5.954 12.984 1.00 72.40 H new ATOM 0 HD13 LEU A 6 13.383 -5.527 12.623 1.00 72.40 H new ATOM 0 HD21 LEU A 6 13.020 -7.823 10.579 1.00 13.45 H new ATOM 0 HD22 LEU A 6 12.420 -6.165 10.332 1.00 13.45 H new ATOM 0 HD23 LEU A 6 13.497 -6.911 9.127 1.00 13.45 H new ATOM 86 N ASN A 7 15.289 -6.290 7.167 1.00 2.52 N ATOM 87 CA ASN A 7 14.523 -6.680 5.988 1.00 44.22 C ATOM 88 C ASN A 7 14.723 -8.173 5.703 1.00 14.45 C ATOM 89 O ASN A 7 15.626 -8.784 6.276 1.00 22.11 O ATOM 90 CB ASN A 7 14.916 -5.800 4.785 1.00 65.23 C ATOM 91 CG ASN A 7 14.114 -6.128 3.531 1.00 53.12 C ATOM 92 OD1 ASN A 7 14.679 -6.489 2.501 1.00 34.11 O ATOM 93 ND2 ASN A 7 12.791 -6.099 3.603 1.00 44.22 N ATOM 0 H ASN A 7 16.143 -6.833 7.299 1.00 2.52 H new ATOM 0 HA ASN A 7 13.461 -6.522 6.173 1.00 44.22 H new ATOM 0 HB2 ASN A 7 14.767 -4.751 5.043 1.00 65.23 H new ATOM 0 HB3 ASN A 7 15.978 -5.929 4.577 1.00 65.23 H new ATOM 0 HD21 ASN A 7 12.230 -6.378 2.798 1.00 44.22 H new ATOM 0 HD22 ASN A 7 12.334 -5.798 4.463 1.00 44.22 H new ATOM 100 N ALA A 8 13.881 -8.747 4.833 1.00 4.12 N ATOM 101 CA ALA A 8 13.852 -10.126 4.367 1.00 41.24 C ATOM 102 C ALA A 8 14.155 -11.209 5.401 1.00 74.43 C ATOM 103 O ALA A 8 15.269 -11.729 5.495 1.00 2.41 O ATOM 104 CB ALA A 8 14.741 -10.274 3.135 1.00 2.51 C ATOM 0 H ALA A 8 13.136 -8.200 4.402 1.00 4.12 H new ATOM 0 HA ALA A 8 12.807 -10.310 4.119 1.00 41.24 H new ATOM 0 HB1 ALA A 8 14.716 -11.308 2.790 1.00 2.51 H new ATOM 0 HB2 ALA A 8 14.378 -9.619 2.343 1.00 2.51 H new ATOM 0 HB3 ALA A 8 15.765 -10.002 3.390 1.00 2.51 H new ATOM 110 N THR A 9 13.112 -11.615 6.112 1.00 62.32 N ATOM 111 CA THR A 9 13.159 -12.655 7.131 1.00 24.03 C ATOM 112 C THR A 9 11.999 -13.642 6.970 1.00 63.24 C ATOM 113 O THR A 9 12.237 -14.853 7.048 1.00 41.41 O ATOM 114 CB THR A 9 13.267 -12.053 8.546 1.00 61.23 C ATOM 115 OG1 THR A 9 12.443 -10.920 8.747 1.00 4.33 O ATOM 116 CG2 THR A 9 14.694 -11.582 8.827 1.00 61.14 C ATOM 0 H THR A 9 12.180 -11.217 5.992 1.00 62.32 H new ATOM 0 HA THR A 9 14.069 -13.237 6.988 1.00 24.03 H new ATOM 0 HB THR A 9 12.952 -12.858 9.210 1.00 61.23 H new ATOM 0 HG1 THR A 9 12.558 -10.590 9.663 1.00 4.33 H new ATOM 0 HG21 THR A 9 14.747 -11.161 9.831 1.00 61.14 H new ATOM 0 HG22 THR A 9 15.378 -12.428 8.752 1.00 61.14 H new ATOM 0 HG23 THR A 9 14.976 -10.821 8.099 1.00 61.14 H new ATOM 124 N LYS A 10 10.761 -13.185 6.725 1.00 34.45 N ATOM 125 CA LYS A 10 9.615 -14.086 6.557 1.00 14.25 C ATOM 126 C LYS A 10 8.492 -13.406 5.770 1.00 32.34 C ATOM 127 O LYS A 10 8.373 -12.181 5.811 1.00 32.12 O ATOM 128 CB LYS A 10 9.148 -14.559 7.953 1.00 31.31 C ATOM 129 CG LYS A 10 8.135 -15.708 7.899 1.00 14.23 C ATOM 130 CD LYS A 10 7.927 -16.361 9.268 1.00 12.44 C ATOM 131 CE LYS A 10 6.676 -17.246 9.228 1.00 53.22 C ATOM 132 NZ LYS A 10 6.450 -17.930 10.513 1.00 22.22 N ATOM 0 H LYS A 10 10.530 -12.195 6.639 1.00 34.45 H new ATOM 0 HA LYS A 10 9.910 -14.958 5.974 1.00 14.25 H new ATOM 0 HB2 LYS A 10 10.016 -14.877 8.530 1.00 31.31 H new ATOM 0 HB3 LYS A 10 8.703 -13.717 8.484 1.00 31.31 H new ATOM 0 HG2 LYS A 10 7.181 -15.332 7.529 1.00 14.23 H new ATOM 0 HG3 LYS A 10 8.478 -16.460 7.188 1.00 14.23 H new ATOM 0 HD2 LYS A 10 8.799 -16.958 9.534 1.00 12.44 H new ATOM 0 HD3 LYS A 10 7.819 -15.595 10.036 1.00 12.44 H new ATOM 0 HE2 LYS A 10 5.807 -16.636 8.983 1.00 53.22 H new ATOM 0 HE3 LYS A 10 6.780 -17.987 8.435 1.00 53.22 H new ATOM 0 HZ1 LYS A 10 5.595 -18.519 10.447 1.00 22.22 H new ATOM 0 HZ2 LYS A 10 7.269 -18.532 10.735 1.00 22.22 H new ATOM 0 HZ3 LYS A 10 6.326 -17.223 11.266 1.00 22.22 H new ATOM 146 N LYS A 11 7.611 -14.221 5.172 1.00 50.21 N ATOM 147 CA LYS A 11 6.441 -13.868 4.364 1.00 62.33 C ATOM 148 C LYS A 11 6.871 -13.207 3.055 1.00 51.52 C ATOM 149 O LYS A 11 7.480 -12.142 3.044 1.00 32.04 O ATOM 150 CB LYS A 11 5.418 -13.032 5.145 1.00 74.00 C ATOM 151 CG LYS A 11 4.911 -13.597 6.482 1.00 2.35 C ATOM 152 CD LYS A 11 4.425 -15.049 6.407 1.00 5.11 C ATOM 153 CE LYS A 11 3.454 -15.413 7.539 1.00 2.52 C ATOM 154 NZ LYS A 11 2.173 -14.673 7.473 1.00 51.20 N ATOM 0 H LYS A 11 7.711 -15.233 5.250 1.00 50.21 H new ATOM 0 HA LYS A 11 5.922 -14.792 4.108 1.00 62.33 H new ATOM 0 HB2 LYS A 11 5.860 -12.055 5.339 1.00 74.00 H new ATOM 0 HB3 LYS A 11 4.555 -12.869 4.500 1.00 74.00 H new ATOM 0 HG2 LYS A 11 5.712 -13.531 7.218 1.00 2.35 H new ATOM 0 HG3 LYS A 11 4.095 -12.971 6.842 1.00 2.35 H new ATOM 0 HD2 LYS A 11 3.935 -15.214 5.448 1.00 5.11 H new ATOM 0 HD3 LYS A 11 5.285 -15.717 6.444 1.00 5.11 H new ATOM 0 HE2 LYS A 11 3.250 -16.483 7.503 1.00 2.52 H new ATOM 0 HE3 LYS A 11 3.933 -15.212 8.497 1.00 2.52 H new ATOM 0 HZ1 LYS A 11 1.460 -15.161 8.052 1.00 51.20 H new ATOM 0 HZ2 LYS A 11 2.311 -13.707 7.834 1.00 51.20 H new ATOM 0 HZ3 LYS A 11 1.847 -14.630 6.486 1.00 51.20 H new ATOM 168 N ASP A 12 6.545 -13.833 1.926 1.00 53.31 N ATOM 169 CA ASP A 12 6.892 -13.360 0.586 1.00 11.21 C ATOM 170 C ASP A 12 6.266 -12.008 0.267 1.00 53.12 C ATOM 171 O ASP A 12 6.841 -11.218 -0.480 1.00 51.14 O ATOM 172 CB ASP A 12 6.477 -14.401 -0.464 1.00 2.45 C ATOM 173 CG ASP A 12 4.981 -14.374 -0.792 1.00 63.13 C ATOM 174 OD1 ASP A 12 4.168 -14.714 0.101 1.00 24.11 O ATOM 175 OD2 ASP A 12 4.607 -13.939 -1.907 1.00 73.11 O ATOM 0 H ASP A 12 6.018 -14.706 1.917 1.00 53.31 H new ATOM 0 HA ASP A 12 7.973 -13.226 0.559 1.00 11.21 H new ATOM 0 HB2 ASP A 12 7.045 -14.229 -1.379 1.00 2.45 H new ATOM 0 HB3 ASP A 12 6.744 -15.395 -0.105 1.00 2.45 H new ATOM 180 N LYS A 13 5.069 -11.749 0.793 1.00 32.33 N ATOM 181 CA LYS A 13 4.384 -10.486 0.572 1.00 41.13 C ATOM 182 C LYS A 13 5.004 -9.417 1.450 1.00 61.53 C ATOM 183 O LYS A 13 5.366 -8.350 0.975 1.00 14.12 O ATOM 184 CB LYS A 13 2.884 -10.613 0.887 1.00 52.23 C ATOM 185 CG LYS A 13 2.190 -11.726 0.093 1.00 40.43 C ATOM 186 CD LYS A 13 2.213 -11.483 -1.426 1.00 70.34 C ATOM 187 CE LYS A 13 1.391 -12.527 -2.189 1.00 73.40 C ATOM 188 NZ LYS A 13 1.787 -13.906 -1.842 1.00 1.11 N ATOM 0 H LYS A 13 4.554 -12.406 1.379 1.00 32.33 H new ATOM 0 HA LYS A 13 4.491 -10.210 -0.477 1.00 41.13 H new ATOM 0 HB2 LYS A 13 2.758 -10.804 1.953 1.00 52.23 H new ATOM 0 HB3 LYS A 13 2.393 -9.663 0.673 1.00 52.23 H new ATOM 0 HG2 LYS A 13 2.675 -12.677 0.311 1.00 40.43 H new ATOM 0 HG3 LYS A 13 1.156 -11.812 0.426 1.00 40.43 H new ATOM 0 HD2 LYS A 13 1.822 -10.488 -1.640 1.00 70.34 H new ATOM 0 HD3 LYS A 13 3.244 -11.504 -1.781 1.00 70.34 H new ATOM 0 HE2 LYS A 13 0.333 -12.387 -1.968 1.00 73.40 H new ATOM 0 HE3 LYS A 13 1.515 -12.373 -3.261 1.00 73.40 H new ATOM 0 HZ1 LYS A 13 1.279 -14.577 -2.453 1.00 1.11 H new ATOM 0 HZ2 LYS A 13 2.812 -14.018 -1.981 1.00 1.11 H new ATOM 0 HZ3 LYS A 13 1.550 -14.095 -0.847 1.00 1.11 H new ATOM 202 N LEU A 14 5.128 -9.713 2.743 1.00 33.53 N ATOM 203 CA LEU A 14 5.665 -8.746 3.685 1.00 2.12 C ATOM 204 C LEU A 14 7.088 -8.358 3.353 1.00 54.14 C ATOM 205 O LEU A 14 7.415 -7.200 3.558 1.00 13.13 O ATOM 206 CB LEU A 14 5.545 -9.231 5.134 1.00 73.23 C ATOM 207 CG LEU A 14 4.125 -9.709 5.488 1.00 70.30 C ATOM 208 CD1 LEU A 14 4.063 -10.153 6.946 1.00 0.24 C ATOM 209 CD2 LEU A 14 3.063 -8.638 5.230 1.00 30.14 C ATOM 0 H LEU A 14 4.865 -10.608 3.155 1.00 33.53 H new ATOM 0 HA LEU A 14 5.054 -7.848 3.589 1.00 2.12 H new ATOM 0 HB2 LEU A 14 6.249 -10.046 5.299 1.00 73.23 H new ATOM 0 HB3 LEU A 14 5.830 -8.423 5.808 1.00 73.23 H new ATOM 0 HG LEU A 14 3.905 -10.553 4.834 1.00 70.30 H new ATOM 0 HD11 LEU A 14 3.053 -10.488 7.182 1.00 0.24 H new ATOM 0 HD12 LEU A 14 4.764 -10.972 7.107 1.00 0.24 H new ATOM 0 HD13 LEU A 14 4.328 -9.316 7.593 1.00 0.24 H new ATOM 0 HD21 LEU A 14 2.081 -9.028 5.497 1.00 30.14 H new ATOM 0 HD22 LEU A 14 3.280 -7.757 5.834 1.00 30.14 H new ATOM 0 HD23 LEU A 14 3.071 -8.365 4.175 1.00 30.14 H new ATOM 221 N GLN A 15 7.908 -9.272 2.834 1.00 1.11 N ATOM 222 CA GLN A 15 9.289 -8.972 2.491 1.00 24.22 C ATOM 223 C GLN A 15 9.384 -7.847 1.451 1.00 2.03 C ATOM 224 O GLN A 15 10.159 -6.913 1.655 1.00 42.41 O ATOM 225 CB GLN A 15 9.978 -10.262 2.017 1.00 60.11 C ATOM 226 CG GLN A 15 11.395 -9.983 1.496 1.00 31.32 C ATOM 227 CD GLN A 15 12.152 -11.226 1.045 1.00 4.12 C ATOM 228 OE1 GLN A 15 12.796 -11.197 0.004 1.00 44.31 O ATOM 229 NE2 GLN A 15 12.142 -12.316 1.796 1.00 11.33 N ATOM 0 H GLN A 15 7.631 -10.235 2.642 1.00 1.11 H new ATOM 0 HA GLN A 15 9.808 -8.603 3.376 1.00 24.22 H new ATOM 0 HB2 GLN A 15 10.026 -10.974 2.841 1.00 60.11 H new ATOM 0 HB3 GLN A 15 9.384 -10.725 1.229 1.00 60.11 H new ATOM 0 HG2 GLN A 15 11.332 -9.287 0.660 1.00 31.32 H new ATOM 0 HG3 GLN A 15 11.967 -9.488 2.280 1.00 31.32 H new ATOM 0 HE21 GLN A 15 11.603 -12.334 2.662 1.00 11.33 H new ATOM 0 HE22 GLN A 15 12.673 -13.138 1.509 1.00 11.33 H new ATOM 238 N VAL A 16 8.627 -7.928 0.351 1.00 22.23 N ATOM 239 CA VAL A 16 8.687 -6.900 -0.684 1.00 32.12 C ATOM 240 C VAL A 16 8.104 -5.570 -0.199 1.00 2.32 C ATOM 241 O VAL A 16 8.646 -4.522 -0.544 1.00 42.44 O ATOM 242 CB VAL A 16 8.069 -7.394 -2.005 1.00 44.42 C ATOM 243 CG1 VAL A 16 8.808 -8.623 -2.546 1.00 0.31 C ATOM 244 CG2 VAL A 16 6.583 -7.738 -1.940 1.00 40.35 C ATOM 0 H VAL A 16 7.974 -8.687 0.159 1.00 22.23 H new ATOM 0 HA VAL A 16 9.737 -6.701 -0.898 1.00 32.12 H new ATOM 0 HB VAL A 16 8.178 -6.537 -2.669 1.00 44.42 H new ATOM 0 HG11 VAL A 16 8.345 -8.944 -3.479 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.852 -8.369 -2.728 1.00 0.31 H new ATOM 0 HG13 VAL A 16 8.753 -9.431 -1.816 1.00 0.31 H new ATOM 0 HG21 VAL A 16 6.244 -8.075 -2.920 1.00 40.35 H new ATOM 0 HG22 VAL A 16 6.425 -8.531 -1.209 1.00 40.35 H new ATOM 0 HG23 VAL A 16 6.017 -6.854 -1.645 1.00 40.35 H new ATOM 254 N ILE A 17 7.034 -5.589 0.607 1.00 4.13 N ATOM 255 CA ILE A 17 6.442 -4.347 1.107 1.00 20.12 C ATOM 256 C ILE A 17 7.407 -3.710 2.116 1.00 45.12 C ATOM 257 O ILE A 17 7.581 -2.500 2.144 1.00 41.21 O ATOM 258 CB ILE A 17 5.024 -4.544 1.683 1.00 74.22 C ATOM 259 CG1 ILE A 17 4.084 -5.308 0.730 1.00 50.20 C ATOM 260 CG2 ILE A 17 4.381 -3.174 1.939 1.00 73.33 C ATOM 261 CD1 ILE A 17 2.789 -5.752 1.421 1.00 63.52 C ATOM 0 H ILE A 17 6.568 -6.440 0.922 1.00 4.13 H new ATOM 0 HA ILE A 17 6.303 -3.665 0.269 1.00 20.12 H new ATOM 0 HB ILE A 17 5.146 -5.125 2.597 1.00 74.22 H new ATOM 0 HG12 ILE A 17 3.839 -4.673 -0.122 1.00 50.20 H new ATOM 0 HG13 ILE A 17 4.602 -6.183 0.337 1.00 50.20 H new ATOM 0 HG21 ILE A 17 3.379 -3.313 2.346 1.00 73.33 H new ATOM 0 HG22 ILE A 17 4.988 -2.615 2.651 1.00 73.33 H new ATOM 0 HG23 ILE A 17 4.319 -2.621 1.002 1.00 73.33 H new ATOM 0 HD11 ILE A 17 2.161 -6.286 0.708 1.00 63.52 H new ATOM 0 HD12 ILE A 17 3.029 -6.410 2.256 1.00 63.52 H new ATOM 0 HD13 ILE A 17 2.255 -4.876 1.791 1.00 63.52 H new ATOM 273 N ASP A 18 8.049 -4.522 2.946 1.00 12.15 N ATOM 274 CA ASP A 18 9.009 -4.079 3.951 1.00 71.23 C ATOM 275 C ASP A 18 10.213 -3.429 3.263 1.00 5.51 C ATOM 276 O ASP A 18 10.740 -2.436 3.756 1.00 54.24 O ATOM 277 CB ASP A 18 9.371 -5.308 4.782 1.00 34.15 C ATOM 278 CG ASP A 18 10.337 -5.076 5.924 1.00 41.42 C ATOM 279 OD1 ASP A 18 9.989 -4.315 6.853 1.00 64.01 O ATOM 280 OD2 ASP A 18 11.304 -5.868 5.968 1.00 0.15 O ATOM 0 H ASP A 18 7.914 -5.533 2.939 1.00 12.15 H new ATOM 0 HA ASP A 18 8.602 -3.316 4.614 1.00 71.23 H new ATOM 0 HB2 ASP A 18 8.452 -5.730 5.190 1.00 34.15 H new ATOM 0 HB3 ASP A 18 9.799 -6.058 4.117 1.00 34.15 H new ATOM 285 N TRP A 19 10.616 -3.957 2.100 1.00 3.22 N ATOM 286 CA TRP A 19 11.728 -3.438 1.315 1.00 11.15 C ATOM 287 C TRP A 19 11.359 -2.069 0.732 1.00 42.43 C ATOM 288 O TRP A 19 12.086 -1.096 0.936 1.00 25.11 O ATOM 289 CB TRP A 19 12.097 -4.440 0.208 1.00 11.33 C ATOM 290 CG TRP A 19 13.010 -3.887 -0.840 1.00 4.20 C ATOM 291 CD1 TRP A 19 12.624 -3.411 -2.046 1.00 32.04 C ATOM 292 CD2 TRP A 19 14.444 -3.631 -0.754 1.00 22.32 C ATOM 293 NE1 TRP A 19 13.708 -2.864 -2.690 1.00 41.30 N ATOM 294 CE2 TRP A 19 14.864 -2.997 -1.959 1.00 61.12 C ATOM 295 CE3 TRP A 19 15.427 -3.838 0.235 1.00 22.33 C ATOM 296 CZ2 TRP A 19 16.188 -2.591 -2.173 1.00 54.51 C ATOM 297 CZ3 TRP A 19 16.760 -3.439 0.031 1.00 34.40 C ATOM 298 CH2 TRP A 19 17.140 -2.820 -1.172 1.00 22.04 C ATOM 0 H TRP A 19 10.167 -4.769 1.677 1.00 3.22 H new ATOM 0 HA TRP A 19 12.600 -3.307 1.956 1.00 11.15 H new ATOM 0 HB2 TRP A 19 12.570 -5.310 0.664 1.00 11.33 H new ATOM 0 HB3 TRP A 19 11.182 -4.789 -0.271 1.00 11.33 H new ATOM 0 HD1 TRP A 19 11.620 -3.454 -2.441 1.00 32.04 H new ATOM 0 HE1 TRP A 19 13.660 -2.412 -3.603 1.00 41.30 H new ATOM 0 HE3 TRP A 19 15.152 -4.311 1.166 1.00 22.33 H new ATOM 0 HZ2 TRP A 19 16.470 -2.108 -3.097 1.00 54.51 H new ATOM 0 HZ3 TRP A 19 17.496 -3.609 0.803 1.00 34.40 H new ATOM 0 HH2 TRP A 19 18.166 -2.521 -1.325 1.00 22.04 H new ATOM 309 N LEU A 20 10.233 -1.971 0.010 1.00 14.43 N ATOM 310 CA LEU A 20 9.807 -0.702 -0.590 1.00 25.04 C ATOM 311 C LEU A 20 9.579 0.378 0.476 1.00 62.20 C ATOM 312 O LEU A 20 9.850 1.549 0.210 1.00 13.21 O ATOM 313 CB LEU A 20 8.642 -0.872 -1.584 1.00 24.32 C ATOM 314 CG LEU A 20 7.320 -1.402 -1.006 1.00 55.44 C ATOM 315 CD1 LEU A 20 6.367 -0.292 -0.557 1.00 41.15 C ATOM 316 CD2 LEU A 20 6.574 -2.314 -1.990 1.00 64.51 C ATOM 0 H LEU A 20 9.604 -2.753 -0.171 1.00 14.43 H new ATOM 0 HA LEU A 20 10.630 -0.338 -1.205 1.00 25.04 H new ATOM 0 HB2 LEU A 20 8.448 0.094 -2.050 1.00 24.32 H new ATOM 0 HB3 LEU A 20 8.964 -1.549 -2.375 1.00 24.32 H new ATOM 0 HG LEU A 20 7.621 -1.978 -0.131 1.00 55.44 H new ATOM 0 HD11 LEU A 20 5.454 -0.735 -0.159 1.00 41.15 H new ATOM 0 HD12 LEU A 20 6.846 0.308 0.217 1.00 41.15 H new ATOM 0 HD13 LEU A 20 6.121 0.343 -1.408 1.00 41.15 H new ATOM 0 HD21 LEU A 20 5.647 -2.661 -1.533 1.00 64.51 H new ATOM 0 HD22 LEU A 20 6.344 -1.758 -2.899 1.00 64.51 H new ATOM 0 HD23 LEU A 20 7.200 -3.171 -2.238 1.00 64.51 H new ATOM 328 N ILE A 21 9.119 -0.004 1.673 1.00 5.54 N ATOM 329 CA ILE A 21 8.893 0.926 2.776 1.00 60.21 C ATOM 330 C ILE A 21 10.249 1.515 3.201 1.00 2.42 C ATOM 331 O ILE A 21 10.351 2.728 3.400 1.00 61.13 O ATOM 332 CB ILE A 21 8.142 0.210 3.928 1.00 42.30 C ATOM 333 CG1 ILE A 21 6.637 0.056 3.596 1.00 1.22 C ATOM 334 CG2 ILE A 21 8.325 0.962 5.256 1.00 25.35 C ATOM 335 CD1 ILE A 21 5.893 -0.947 4.482 1.00 72.11 C ATOM 0 H ILE A 21 8.893 -0.972 1.901 1.00 5.54 H new ATOM 0 HA ILE A 21 8.254 1.755 2.470 1.00 60.21 H new ATOM 0 HB ILE A 21 8.572 -0.785 4.037 1.00 42.30 H new ATOM 0 HG12 ILE A 21 6.156 1.030 3.687 1.00 1.22 H new ATOM 0 HG13 ILE A 21 6.537 -0.253 2.555 1.00 1.22 H new ATOM 0 HG21 ILE A 21 7.788 0.439 6.047 1.00 25.35 H new ATOM 0 HG22 ILE A 21 9.385 1.007 5.505 1.00 25.35 H new ATOM 0 HG23 ILE A 21 7.932 1.974 5.158 1.00 25.35 H new ATOM 0 HD11 ILE A 21 4.846 -0.992 4.181 1.00 72.11 H new ATOM 0 HD12 ILE A 21 6.345 -1.933 4.374 1.00 72.11 H new ATOM 0 HD13 ILE A 21 5.958 -0.631 5.523 1.00 72.11 H new ATOM 347 N GLU A 22 11.282 0.680 3.353 1.00 34.43 N ATOM 348 CA GLU A 22 12.615 1.117 3.759 1.00 12.43 C ATOM 349 C GLU A 22 13.284 1.974 2.675 1.00 1.15 C ATOM 350 O GLU A 22 14.015 2.917 2.994 1.00 70.13 O ATOM 351 CB GLU A 22 13.453 -0.124 4.117 1.00 13.14 C ATOM 352 CG GLU A 22 14.718 0.235 4.907 1.00 22.20 C ATOM 353 CD GLU A 22 15.571 -1.001 5.206 1.00 23.31 C ATOM 354 OE1 GLU A 22 16.551 -1.238 4.452 1.00 12.54 O ATOM 355 OE2 GLU A 22 15.317 -1.679 6.225 1.00 60.51 O ATOM 0 H GLU A 22 11.212 -0.325 3.196 1.00 34.43 H new ATOM 0 HA GLU A 22 12.536 1.757 4.638 1.00 12.43 H new ATOM 0 HB2 GLU A 22 12.845 -0.813 4.703 1.00 13.14 H new ATOM 0 HB3 GLU A 22 13.735 -0.646 3.202 1.00 13.14 H new ATOM 0 HG2 GLU A 22 15.308 0.956 4.341 1.00 22.20 H new ATOM 0 HG3 GLU A 22 14.437 0.718 5.843 1.00 22.20 H new ATOM 362 N ASN A 23 13.007 1.666 1.403 1.00 62.15 N ATOM 363 CA ASN A 23 13.549 2.356 0.233 1.00 70.04 C ATOM 364 C ASN A 23 13.091 3.811 0.158 1.00 0.04 C ATOM 365 O ASN A 23 13.928 4.687 -0.071 1.00 34.41 O ATOM 366 CB ASN A 23 13.113 1.631 -1.055 1.00 44.34 C ATOM 367 CG ASN A 23 14.046 0.534 -1.542 1.00 34.13 C ATOM 368 OD1 ASN A 23 14.136 0.276 -2.737 1.00 20.53 O ATOM 369 ND2 ASN A 23 14.764 -0.141 -0.661 1.00 12.25 N ATOM 0 H ASN A 23 12.377 0.903 1.154 1.00 62.15 H new ATOM 0 HA ASN A 23 14.635 2.344 0.330 1.00 70.04 H new ATOM 0 HB2 ASN A 23 12.127 1.197 -0.890 1.00 44.34 H new ATOM 0 HB3 ASN A 23 13.007 2.371 -1.848 1.00 44.34 H new ATOM 0 HD21 ASN A 23 15.395 -0.879 -0.975 1.00 12.25 H new ATOM 0 HD22 ASN A 23 14.687 0.076 0.333 1.00 12.25 H new ATOM 376 N PHE A 24 11.796 4.089 0.343 1.00 44.45 N ATOM 377 CA PHE A 24 11.251 5.446 0.286 1.00 30.23 C ATOM 378 C PHE A 24 10.645 5.822 1.639 1.00 3.02 C ATOM 379 O PHE A 24 9.428 5.846 1.799 1.00 71.12 O ATOM 380 CB PHE A 24 10.258 5.598 -0.876 1.00 12.23 C ATOM 381 CG PHE A 24 10.892 5.833 -2.234 1.00 53.21 C ATOM 382 CD1 PHE A 24 11.724 6.952 -2.445 1.00 44.12 C ATOM 383 CD2 PHE A 24 10.558 5.003 -3.319 1.00 42.23 C ATOM 384 CE1 PHE A 24 12.204 7.244 -3.732 1.00 60.34 C ATOM 385 CE2 PHE A 24 11.032 5.301 -4.609 1.00 23.55 C ATOM 386 CZ PHE A 24 11.858 6.418 -4.813 1.00 64.55 C ATOM 0 H PHE A 24 11.095 3.374 0.537 1.00 44.45 H new ATOM 0 HA PHE A 24 12.060 6.149 0.084 1.00 30.23 H new ATOM 0 HB2 PHE A 24 9.644 4.699 -0.929 1.00 12.23 H new ATOM 0 HB3 PHE A 24 9.588 6.429 -0.656 1.00 12.23 H new ATOM 0 HD1 PHE A 24 11.993 7.587 -1.614 1.00 44.12 H new ATOM 0 HD2 PHE A 24 9.936 4.134 -3.161 1.00 42.23 H new ATOM 0 HE1 PHE A 24 12.839 8.103 -3.890 1.00 60.34 H new ATOM 0 HE2 PHE A 24 10.761 4.671 -5.443 1.00 23.55 H new ATOM 0 HZ PHE A 24 12.228 6.642 -5.803 1.00 64.55 H new ATOM 396 N PRO A 25 11.465 6.194 2.629 1.00 23.35 N ATOM 397 CA PRO A 25 10.988 6.558 3.953 1.00 52.21 C ATOM 398 C PRO A 25 10.342 7.951 4.006 1.00 60.03 C ATOM 399 O PRO A 25 10.184 8.479 5.108 1.00 45.45 O ATOM 400 CB PRO A 25 12.234 6.453 4.839 1.00 62.14 C ATOM 401 CG PRO A 25 13.366 6.861 3.904 1.00 33.33 C ATOM 402 CD PRO A 25 12.918 6.232 2.589 1.00 21.30 C ATOM 0 HA PRO A 25 10.184 5.902 4.286 1.00 52.21 H new ATOM 0 HB2 PRO A 25 12.169 7.113 5.704 1.00 62.14 H new ATOM 0 HB3 PRO A 25 12.372 5.441 5.220 1.00 62.14 H new ATOM 0 HG2 PRO A 25 13.465 7.944 3.828 1.00 33.33 H new ATOM 0 HG3 PRO A 25 14.330 6.476 4.235 1.00 33.33 H new ATOM 0 HD2 PRO A 25 13.268 6.817 1.739 1.00 21.30 H new ATOM 0 HD3 PRO A 25 13.330 5.229 2.477 1.00 21.30 H new ATOM 410 N ASN A 26 9.929 8.562 2.882 1.00 0.35 N ATOM 411 CA ASN A 26 9.343 9.903 2.964 1.00 4.45 C ATOM 412 C ASN A 26 7.897 9.810 3.436 1.00 71.03 C ATOM 413 O ASN A 26 7.357 10.769 3.986 1.00 15.52 O ATOM 414 CB ASN A 26 9.422 10.686 1.658 1.00 54.53 C ATOM 415 CG ASN A 26 10.869 10.903 1.266 1.00 10.44 C ATOM 416 OD1 ASN A 26 11.503 11.877 1.648 1.00 40.02 O ATOM 417 ND2 ASN A 26 11.418 9.931 0.575 1.00 2.21 N ATOM 0 H ASN A 26 9.987 8.166 1.944 1.00 0.35 H new ATOM 0 HA ASN A 26 9.940 10.458 3.688 1.00 4.45 H new ATOM 0 HB2 ASN A 26 8.901 10.144 0.869 1.00 54.53 H new ATOM 0 HB3 ASN A 26 8.920 11.647 1.770 1.00 54.53 H new ATOM 0 HD21 ASN A 26 12.409 9.971 0.338 1.00 2.21 H new ATOM 0 HD22 ASN A 26 10.853 9.136 0.276 1.00 2.21 H new ATOM 424 N ALA A 27 7.283 8.635 3.270 1.00 12.04 N ATOM 425 CA ALA A 27 5.941 8.332 3.704 1.00 12.01 C ATOM 426 C ALA A 27 5.752 6.834 3.513 1.00 45.04 C ATOM 427 O ALA A 27 5.768 6.362 2.381 1.00 65.31 O ATOM 428 CB ALA A 27 4.988 9.042 2.732 1.00 71.13 C ATOM 0 H ALA A 27 7.736 7.846 2.810 1.00 12.04 H new ATOM 0 HA ALA A 27 5.761 8.635 4.735 1.00 12.01 H new ATOM 0 HB1 ALA A 27 3.957 8.841 3.022 1.00 71.13 H new ATOM 0 HB2 ALA A 27 5.171 10.116 2.763 1.00 71.13 H new ATOM 0 HB3 ALA A 27 5.159 8.674 1.720 1.00 71.13 H new ATOM 434 N PHE A 28 5.529 6.102 4.601 1.00 24.14 N ATOM 435 CA PHE A 28 5.273 4.667 4.643 1.00 15.53 C ATOM 436 C PHE A 28 5.075 4.276 6.111 1.00 10.33 C ATOM 437 O PHE A 28 5.533 5.000 7.004 1.00 64.40 O ATOM 438 CB PHE A 28 6.345 3.832 3.916 1.00 14.12 C ATOM 439 CG PHE A 28 5.976 3.417 2.492 1.00 50.25 C ATOM 440 CD1 PHE A 28 4.740 2.796 2.215 1.00 35.05 C ATOM 441 CD2 PHE A 28 6.869 3.654 1.430 1.00 74.13 C ATOM 442 CE1 PHE A 28 4.389 2.466 0.894 1.00 71.23 C ATOM 443 CE2 PHE A 28 6.518 3.334 0.108 1.00 20.24 C ATOM 444 CZ PHE A 28 5.266 2.760 -0.163 1.00 13.44 C ATOM 0 H PHE A 28 5.522 6.520 5.531 1.00 24.14 H new ATOM 0 HA PHE A 28 4.366 4.438 4.083 1.00 15.53 H new ATOM 0 HB2 PHE A 28 7.272 4.405 3.884 1.00 14.12 H new ATOM 0 HB3 PHE A 28 6.545 2.934 4.501 1.00 14.12 H new ATOM 0 HD1 PHE A 28 4.059 2.573 3.023 1.00 35.05 H new ATOM 0 HD2 PHE A 28 7.837 4.088 1.634 1.00 74.13 H new ATOM 0 HE1 PHE A 28 3.443 1.986 0.692 1.00 71.23 H new ATOM 0 HE2 PHE A 28 7.210 3.529 -0.698 1.00 20.24 H new ATOM 0 HZ PHE A 28 4.978 2.545 -1.181 1.00 13.44 H new ATOM 454 N PHE A 29 4.490 3.111 6.396 1.00 75.31 N ATOM 455 CA PHE A 29 4.259 2.630 7.756 1.00 3.45 C ATOM 456 C PHE A 29 4.306 1.107 7.795 1.00 11.24 C ATOM 457 O PHE A 29 3.843 0.493 6.837 1.00 31.11 O ATOM 458 CB PHE A 29 2.892 3.097 8.231 1.00 52.41 C ATOM 459 CG PHE A 29 2.742 4.594 8.394 1.00 53.11 C ATOM 460 CD1 PHE A 29 2.158 5.360 7.370 1.00 13.14 C ATOM 461 CD2 PHE A 29 3.209 5.227 9.561 1.00 34.23 C ATOM 462 CE1 PHE A 29 2.026 6.749 7.520 1.00 53.32 C ATOM 463 CE2 PHE A 29 3.039 6.610 9.729 1.00 3.23 C ATOM 464 CZ PHE A 29 2.440 7.369 8.710 1.00 5.15 C ATOM 0 H PHE A 29 4.159 2.467 5.677 1.00 75.31 H new ATOM 0 HA PHE A 29 5.038 3.028 8.406 1.00 3.45 H new ATOM 0 HB2 PHE A 29 2.141 2.748 7.523 1.00 52.41 H new ATOM 0 HB3 PHE A 29 2.675 2.620 9.187 1.00 52.41 H new ATOM 0 HD1 PHE A 29 1.811 4.879 6.467 1.00 13.14 H new ATOM 0 HD2 PHE A 29 3.699 4.647 10.329 1.00 34.23 H new ATOM 0 HE1 PHE A 29 1.606 7.341 6.720 1.00 53.32 H new ATOM 0 HE2 PHE A 29 3.368 7.089 10.639 1.00 3.23 H new ATOM 0 HZ PHE A 29 2.298 8.431 8.842 1.00 5.15 H new ATOM 474 N LYS A 30 4.752 0.482 8.900 1.00 62.33 N ATOM 475 CA LYS A 30 4.818 -0.991 9.013 1.00 64.54 C ATOM 476 C LYS A 30 3.968 -1.584 10.139 1.00 4.30 C ATOM 477 O LYS A 30 3.686 -2.778 10.108 1.00 31.13 O ATOM 478 CB LYS A 30 6.256 -1.508 9.209 1.00 71.53 C ATOM 479 CG LYS A 30 7.291 -0.940 8.233 1.00 42.11 C ATOM 480 CD LYS A 30 8.202 0.136 8.842 1.00 12.33 C ATOM 481 CE LYS A 30 9.511 -0.422 9.425 1.00 64.13 C ATOM 482 NZ LYS A 30 9.320 -1.358 10.550 1.00 2.33 N ATOM 0 H LYS A 30 5.074 0.975 9.733 1.00 62.33 H new ATOM 0 HA LYS A 30 4.413 -1.323 8.057 1.00 64.54 H new ATOM 0 HB2 LYS A 30 6.573 -1.276 10.226 1.00 71.53 H new ATOM 0 HB3 LYS A 30 6.251 -2.594 9.117 1.00 71.53 H new ATOM 0 HG2 LYS A 30 7.910 -1.756 7.860 1.00 42.11 H new ATOM 0 HG3 LYS A 30 6.771 -0.517 7.374 1.00 42.11 H new ATOM 0 HD2 LYS A 30 8.441 0.874 8.076 1.00 12.33 H new ATOM 0 HD3 LYS A 30 7.657 0.658 9.629 1.00 12.33 H new ATOM 0 HE2 LYS A 30 10.061 -0.930 8.633 1.00 64.13 H new ATOM 0 HE3 LYS A 30 10.131 0.410 9.760 1.00 64.13 H new ATOM 0 HZ1 LYS A 30 10.246 -1.689 10.887 1.00 2.33 H new ATOM 0 HZ2 LYS A 30 8.823 -0.873 11.324 1.00 2.33 H new ATOM 0 HZ3 LYS A 30 8.756 -2.172 10.232 1.00 2.33 H new ATOM 496 N LYS A 31 3.559 -0.817 11.156 1.00 1.31 N ATOM 497 CA LYS A 31 2.766 -1.348 12.278 1.00 44.43 C ATOM 498 C LYS A 31 1.340 -1.788 11.903 1.00 34.24 C ATOM 499 O LYS A 31 0.613 -2.292 12.760 1.00 44.41 O ATOM 500 CB LYS A 31 2.711 -0.282 13.392 1.00 41.13 C ATOM 501 CG LYS A 31 3.557 -0.572 14.636 1.00 31.22 C ATOM 502 CD LYS A 31 5.057 -0.315 14.466 1.00 50.12 C ATOM 503 CE LYS A 31 5.692 -0.204 15.858 1.00 65.34 C ATOM 504 NZ LYS A 31 7.148 0.039 15.804 1.00 71.11 N ATOM 0 H LYS A 31 3.764 0.180 11.228 1.00 1.31 H new ATOM 0 HA LYS A 31 3.268 -2.255 12.614 1.00 44.43 H new ATOM 0 HB2 LYS A 31 3.031 0.672 12.972 1.00 41.13 H new ATOM 0 HB3 LYS A 31 1.673 -0.161 13.702 1.00 41.13 H new ATOM 0 HG2 LYS A 31 3.189 0.040 15.459 1.00 31.22 H new ATOM 0 HG3 LYS A 31 3.411 -1.613 14.923 1.00 31.22 H new ATOM 0 HD2 LYS A 31 5.519 -1.126 13.902 1.00 50.12 H new ATOM 0 HD3 LYS A 31 5.223 0.602 13.900 1.00 50.12 H new ATOM 0 HE2 LYS A 31 5.213 0.606 16.408 1.00 65.34 H new ATOM 0 HE3 LYS A 31 5.502 -1.122 16.414 1.00 65.34 H new ATOM 0 HZ1 LYS A 31 7.525 0.105 16.771 1.00 71.11 H new ATOM 0 HZ2 LYS A 31 7.613 -0.746 15.304 1.00 71.11 H new ATOM 0 HZ3 LYS A 31 7.333 0.929 15.299 1.00 71.11 H new ATOM 518 N GLY A 32 0.887 -1.568 10.673 1.00 52.25 N ATOM 519 CA GLY A 32 -0.439 -1.875 10.141 1.00 40.32 C ATOM 520 C GLY A 32 -1.530 -0.967 10.701 1.00 71.24 C ATOM 521 O GLY A 32 -2.491 -0.687 9.999 1.00 74.54 O ATOM 0 H GLY A 32 1.483 -1.137 9.966 1.00 52.25 H new ATOM 0 HA2 GLY A 32 -0.419 -1.783 9.055 1.00 40.32 H new ATOM 0 HA3 GLY A 32 -0.685 -2.912 10.369 1.00 40.32 H new ATOM 525 N ASN A 33 -1.399 -0.491 11.936 1.00 43.42 N ATOM 526 CA ASN A 33 -2.335 0.367 12.646 1.00 33.12 C ATOM 527 C ASN A 33 -2.144 1.864 12.427 1.00 34.12 C ATOM 528 O ASN A 33 -2.963 2.641 12.906 1.00 33.13 O ATOM 529 CB ASN A 33 -2.247 0.070 14.151 1.00 72.12 C ATOM 530 CG ASN A 33 -0.882 0.314 14.808 1.00 51.05 C ATOM 531 OD1 ASN A 33 -0.219 1.446 14.612 1.00 1.00 O flip ATOM 532 ND2 ASN A 33 -0.369 -0.565 15.484 1.00 30.04 N flip ATOM 0 H ASN A 33 -0.580 -0.711 12.503 1.00 43.42 H new ATOM 0 HA ASN A 33 -3.316 0.131 12.233 1.00 33.12 H new ATOM 0 HB2 ASN A 33 -2.989 0.680 14.665 1.00 72.12 H new ATOM 0 HB3 ASN A 33 -2.524 -0.972 14.312 1.00 72.12 H new ATOM 0 HD21 ASN A 33 -0.866 -1.441 15.644 1.00 30.04 H new ATOM 0 HD22 ASN A 33 0.556 -0.423 15.889 1.00 30.04 H new ATOM 539 N GLN A 34 -1.038 2.301 11.829 1.00 31.34 N ATOM 540 CA GLN A 34 -0.750 3.718 11.583 1.00 54.31 C ATOM 541 C GLN A 34 -0.707 4.018 10.084 1.00 71.23 C ATOM 542 O GLN A 34 -0.251 5.084 9.686 1.00 63.13 O ATOM 543 CB GLN A 34 0.501 4.164 12.372 1.00 65.23 C ATOM 544 CG GLN A 34 1.701 3.226 12.184 1.00 5.44 C ATOM 545 CD GLN A 34 3.024 3.651 12.822 1.00 61.41 C ATOM 546 OE1 GLN A 34 4.061 3.106 12.454 1.00 72.42 O ATOM 547 NE2 GLN A 34 3.060 4.575 13.764 1.00 53.13 N ATOM 0 H GLN A 34 -0.305 1.675 11.496 1.00 31.34 H new ATOM 0 HA GLN A 34 -1.566 4.330 11.967 1.00 54.31 H new ATOM 0 HB2 GLN A 34 0.781 5.169 12.058 1.00 65.23 H new ATOM 0 HB3 GLN A 34 0.254 4.219 13.432 1.00 65.23 H new ATOM 0 HG2 GLN A 34 1.432 2.248 12.583 1.00 5.44 H new ATOM 0 HG3 GLN A 34 1.867 3.099 11.114 1.00 5.44 H new ATOM 0 HE21 GLN A 34 2.198 5.027 14.068 1.00 53.13 H new ATOM 0 HE22 GLN A 34 3.950 4.837 14.187 1.00 53.13 H new ATOM 556 N VAL A 35 -1.123 3.058 9.248 1.00 4.14 N ATOM 557 CA VAL A 35 -1.139 3.224 7.796 1.00 44.33 C ATOM 558 C VAL A 35 -1.975 4.454 7.402 1.00 21.04 C ATOM 559 O VAL A 35 -2.906 4.857 8.113 1.00 4.04 O ATOM 560 CB VAL A 35 -1.706 1.966 7.094 1.00 43.23 C ATOM 561 CG1 VAL A 35 -0.748 0.783 7.153 1.00 52.32 C ATOM 562 CG2 VAL A 35 -3.079 1.537 7.630 1.00 61.10 C ATOM 0 H VAL A 35 -1.457 2.147 9.562 1.00 4.14 H new ATOM 0 HA VAL A 35 -0.109 3.369 7.471 1.00 44.33 H new ATOM 0 HB VAL A 35 -1.830 2.267 6.054 1.00 43.23 H new ATOM 0 HG11 VAL A 35 -1.195 -0.072 6.646 1.00 52.32 H new ATOM 0 HG12 VAL A 35 0.188 1.048 6.661 1.00 52.32 H new ATOM 0 HG13 VAL A 35 -0.551 0.526 8.194 1.00 52.32 H new ATOM 0 HG21 VAL A 35 -3.418 0.650 7.095 1.00 61.10 H new ATOM 0 HG22 VAL A 35 -3.000 1.311 8.693 1.00 61.10 H new ATOM 0 HG23 VAL A 35 -3.796 2.345 7.483 1.00 61.10 H new ATOM 572 N LYS A 36 -1.668 5.016 6.235 1.00 71.33 N ATOM 573 CA LYS A 36 -2.315 6.178 5.632 1.00 72.44 C ATOM 574 C LYS A 36 -2.383 5.954 4.119 1.00 43.32 C ATOM 575 O LYS A 36 -1.641 5.093 3.614 1.00 74.03 O ATOM 576 CB LYS A 36 -1.452 7.423 5.901 1.00 22.00 C ATOM 577 CG LYS A 36 -1.629 8.042 7.293 1.00 15.25 C ATOM 578 CD LYS A 36 -0.820 9.344 7.339 1.00 72.31 C ATOM 579 CE LYS A 36 -1.062 10.155 8.611 1.00 64.35 C ATOM 580 NZ LYS A 36 -0.302 11.420 8.570 1.00 2.02 N ATOM 0 H LYS A 36 -0.916 4.650 5.651 1.00 71.33 H new ATOM 0 HA LYS A 36 -3.313 6.316 6.048 1.00 72.44 H new ATOM 0 HB2 LYS A 36 -0.404 7.156 5.769 1.00 22.00 H new ATOM 0 HB3 LYS A 36 -1.686 8.178 5.151 1.00 22.00 H new ATOM 0 HG2 LYS A 36 -2.682 8.241 7.491 1.00 15.25 H new ATOM 0 HG3 LYS A 36 -1.285 7.352 8.063 1.00 15.25 H new ATOM 0 HD2 LYS A 36 0.241 9.108 7.262 1.00 72.31 H new ATOM 0 HD3 LYS A 36 -1.075 9.954 6.472 1.00 72.31 H new ATOM 0 HE2 LYS A 36 -2.126 10.366 8.718 1.00 64.35 H new ATOM 0 HE3 LYS A 36 -0.764 9.573 9.483 1.00 64.35 H new ATOM 0 HZ1 LYS A 36 -0.478 11.959 9.442 1.00 2.02 H new ATOM 0 HZ2 LYS A 36 0.714 11.212 8.490 1.00 2.02 H new ATOM 0 HZ3 LYS A 36 -0.606 11.981 7.749 1.00 2.02 H new ATOM 594 N PRO A 37 -3.228 6.689 3.378 1.00 21.40 N ATOM 595 CA PRO A 37 -3.299 6.536 1.936 1.00 31.13 C ATOM 596 C PRO A 37 -2.031 7.116 1.311 1.00 31.30 C ATOM 597 O PRO A 37 -1.271 7.855 1.939 1.00 2.43 O ATOM 598 CB PRO A 37 -4.537 7.308 1.490 1.00 32.14 C ATOM 599 CG PRO A 37 -4.614 8.411 2.538 1.00 12.10 C ATOM 600 CD PRO A 37 -4.158 7.720 3.818 1.00 43.32 C ATOM 0 HA PRO A 37 -3.370 5.493 1.629 1.00 31.13 H new ATOM 0 HB2 PRO A 37 -4.427 7.709 0.482 1.00 32.14 H new ATOM 0 HB3 PRO A 37 -5.430 6.683 1.489 1.00 32.14 H new ATOM 0 HG2 PRO A 37 -3.968 9.252 2.284 1.00 12.10 H new ATOM 0 HG3 PRO A 37 -5.626 8.804 2.633 1.00 12.10 H new ATOM 0 HD2 PRO A 37 -3.675 8.424 4.496 1.00 43.32 H new ATOM 0 HD3 PRO A 37 -5.002 7.287 4.355 1.00 43.32 H new ATOM 608 N LEU A 38 -1.831 6.799 0.040 1.00 54.34 N ATOM 609 CA LEU A 38 -0.690 7.231 -0.755 1.00 30.00 C ATOM 610 C LEU A 38 -1.175 7.662 -2.136 1.00 0.11 C ATOM 611 O LEU A 38 -2.330 7.421 -2.502 1.00 2.31 O ATOM 612 CB LEU A 38 0.337 6.095 -0.857 1.00 41.34 C ATOM 613 CG LEU A 38 1.028 5.724 0.470 1.00 5.31 C ATOM 614 CD1 LEU A 38 1.681 4.345 0.360 1.00 3.24 C ATOM 615 CD2 LEU A 38 2.087 6.758 0.871 1.00 75.51 C ATOM 0 H LEU A 38 -2.481 6.214 -0.485 1.00 54.34 H new ATOM 0 HA LEU A 38 -0.203 8.080 -0.276 1.00 30.00 H new ATOM 0 HB2 LEU A 38 -0.161 5.209 -1.251 1.00 41.34 H new ATOM 0 HB3 LEU A 38 1.101 6.379 -1.581 1.00 41.34 H new ATOM 0 HG LEU A 38 0.259 5.708 1.242 1.00 5.31 H new ATOM 0 HD11 LEU A 38 2.165 4.095 1.304 1.00 3.24 H new ATOM 0 HD12 LEU A 38 0.919 3.599 0.135 1.00 3.24 H new ATOM 0 HD13 LEU A 38 2.424 4.357 -0.437 1.00 3.24 H new ATOM 0 HD21 LEU A 38 2.550 6.459 1.811 1.00 75.51 H new ATOM 0 HD22 LEU A 38 2.849 6.818 0.094 1.00 75.51 H new ATOM 0 HD23 LEU A 38 1.616 7.733 0.993 1.00 75.51 H new ATOM 627 N LYS A 39 -0.302 8.325 -2.895 1.00 22.11 N ATOM 628 CA LYS A 39 -0.562 8.817 -4.246 1.00 31.44 C ATOM 629 C LYS A 39 -1.180 7.690 -5.082 1.00 55.21 C ATOM 630 O LYS A 39 -0.871 6.506 -4.898 1.00 54.53 O ATOM 631 CB LYS A 39 0.775 9.332 -4.818 1.00 71.03 C ATOM 632 CG LYS A 39 0.717 10.404 -5.913 1.00 52.30 C ATOM 633 CD LYS A 39 0.300 9.948 -7.313 1.00 65.31 C ATOM 634 CE LYS A 39 0.746 10.932 -8.406 1.00 34.41 C ATOM 635 NZ LYS A 39 0.505 12.352 -8.084 1.00 51.55 N ATOM 0 H LYS A 39 0.641 8.542 -2.572 1.00 22.11 H new ATOM 0 HA LYS A 39 -1.277 9.640 -4.256 1.00 31.44 H new ATOM 0 HB2 LYS A 39 1.363 9.730 -3.991 1.00 71.03 H new ATOM 0 HB3 LYS A 39 1.321 8.477 -5.215 1.00 71.03 H new ATOM 0 HG2 LYS A 39 0.024 11.181 -5.590 1.00 52.30 H new ATOM 0 HG3 LYS A 39 1.702 10.866 -5.987 1.00 52.30 H new ATOM 0 HD2 LYS A 39 0.728 8.966 -7.515 1.00 65.31 H new ATOM 0 HD3 LYS A 39 -0.784 9.837 -7.348 1.00 65.31 H new ATOM 0 HE2 LYS A 39 1.810 10.790 -8.593 1.00 34.41 H new ATOM 0 HE3 LYS A 39 0.225 10.688 -9.332 1.00 34.41 H new ATOM 0 HZ1 LYS A 39 0.690 12.935 -8.925 1.00 51.55 H new ATOM 0 HZ2 LYS A 39 -0.484 12.478 -7.786 1.00 51.55 H new ATOM 0 HZ3 LYS A 39 1.139 12.646 -7.313 1.00 51.55 H new ATOM 649 N ILE A 40 -2.133 8.028 -5.947 1.00 70.23 N ATOM 650 CA ILE A 40 -2.793 7.059 -6.798 1.00 75.03 C ATOM 651 C ILE A 40 -1.723 6.467 -7.720 1.00 12.40 C ATOM 652 O ILE A 40 -0.946 7.189 -8.343 1.00 23.33 O ATOM 653 CB ILE A 40 -3.996 7.737 -7.486 1.00 24.25 C ATOM 654 CG1 ILE A 40 -4.880 6.783 -8.307 1.00 62.43 C ATOM 655 CG2 ILE A 40 -3.589 8.969 -8.294 1.00 72.04 C ATOM 656 CD1 ILE A 40 -4.359 6.421 -9.698 1.00 23.31 C ATOM 0 H ILE A 40 -2.465 8.984 -6.073 1.00 70.23 H new ATOM 0 HA ILE A 40 -3.230 6.217 -6.261 1.00 75.03 H new ATOM 0 HB ILE A 40 -4.625 8.076 -6.663 1.00 24.25 H new ATOM 0 HG12 ILE A 40 -5.013 5.862 -7.739 1.00 62.43 H new ATOM 0 HG13 ILE A 40 -5.866 7.235 -8.416 1.00 62.43 H new ATOM 0 HG21 ILE A 40 -4.472 9.408 -8.757 1.00 72.04 H new ATOM 0 HG22 ILE A 40 -3.124 9.701 -7.633 1.00 72.04 H new ATOM 0 HG23 ILE A 40 -2.880 8.678 -9.069 1.00 72.04 H new ATOM 0 HD11 ILE A 40 -5.061 5.744 -10.185 1.00 23.31 H new ATOM 0 HD12 ILE A 40 -4.255 7.327 -10.295 1.00 23.31 H new ATOM 0 HD13 ILE A 40 -3.389 5.933 -9.607 1.00 23.31 H new ATOM 668 N GLY A 41 -1.648 5.143 -7.754 1.00 42.22 N ATOM 669 CA GLY A 41 -0.680 4.437 -8.582 1.00 51.42 C ATOM 670 C GLY A 41 0.767 4.568 -8.101 1.00 30.32 C ATOM 671 O GLY A 41 1.669 4.266 -8.872 1.00 14.33 O ATOM 0 H GLY A 41 -2.255 4.530 -7.210 1.00 42.22 H new ATOM 0 HA2 GLY A 41 -0.947 3.381 -8.614 1.00 51.42 H new ATOM 0 HA3 GLY A 41 -0.748 4.814 -9.603 1.00 51.42 H new ATOM 675 N ILE A 42 1.014 4.922 -6.832 1.00 51.42 N ATOM 676 CA ILE A 42 2.353 5.102 -6.252 1.00 32.34 C ATOM 677 C ILE A 42 3.304 3.918 -6.494 1.00 62.22 C ATOM 678 O ILE A 42 4.522 4.093 -6.490 1.00 44.35 O ATOM 679 CB ILE A 42 2.228 5.463 -4.751 1.00 1.41 C ATOM 680 CG1 ILE A 42 3.578 5.955 -4.188 1.00 23.41 C ATOM 681 CG2 ILE A 42 1.599 4.305 -3.945 1.00 44.13 C ATOM 682 CD1 ILE A 42 3.541 6.472 -2.751 1.00 51.01 C ATOM 0 H ILE A 42 0.266 5.096 -6.161 1.00 51.42 H new ATOM 0 HA ILE A 42 2.823 5.933 -6.778 1.00 32.34 H new ATOM 0 HB ILE A 42 1.537 6.300 -4.647 1.00 1.41 H new ATOM 0 HG12 ILE A 42 4.295 5.136 -4.243 1.00 23.41 H new ATOM 0 HG13 ILE A 42 3.953 6.750 -4.832 1.00 23.41 H new ATOM 0 HG21 ILE A 42 1.525 4.590 -2.896 1.00 44.13 H new ATOM 0 HG22 ILE A 42 0.604 4.090 -4.333 1.00 44.13 H new ATOM 0 HG23 ILE A 42 2.224 3.417 -4.036 1.00 44.13 H new ATOM 0 HD11 ILE A 42 4.540 6.792 -2.454 1.00 51.01 H new ATOM 0 HD12 ILE A 42 2.855 7.316 -2.686 1.00 51.01 H new ATOM 0 HD13 ILE A 42 3.202 5.677 -2.087 1.00 51.01 H new ATOM 694 N PHE A 43 2.793 2.694 -6.667 1.00 52.12 N ATOM 695 CA PHE A 43 3.651 1.544 -6.931 1.00 62.32 C ATOM 696 C PHE A 43 4.379 1.750 -8.263 1.00 5.53 C ATOM 697 O PHE A 43 5.521 1.329 -8.405 1.00 3.31 O ATOM 698 CB PHE A 43 2.829 0.244 -6.986 1.00 34.51 C ATOM 699 CG PHE A 43 3.351 -0.767 -7.997 1.00 2.22 C ATOM 700 CD1 PHE A 43 2.828 -0.748 -9.304 1.00 24.12 C ATOM 701 CD2 PHE A 43 4.446 -1.602 -7.695 1.00 35.15 C ATOM 702 CE1 PHE A 43 3.421 -1.518 -10.314 1.00 2.52 C ATOM 703 CE2 PHE A 43 5.037 -2.374 -8.714 1.00 61.12 C ATOM 704 CZ PHE A 43 4.530 -2.328 -10.024 1.00 31.15 C ATOM 0 H PHE A 43 1.797 2.480 -6.629 1.00 52.12 H new ATOM 0 HA PHE A 43 4.375 1.457 -6.121 1.00 62.32 H new ATOM 0 HB2 PHE A 43 2.823 -0.214 -5.997 1.00 34.51 H new ATOM 0 HB3 PHE A 43 1.795 0.488 -7.230 1.00 34.51 H new ATOM 0 HD1 PHE A 43 1.966 -0.137 -9.529 1.00 24.12 H new ATOM 0 HD2 PHE A 43 4.830 -1.649 -6.687 1.00 35.15 H new ATOM 0 HE1 PHE A 43 3.024 -1.488 -11.318 1.00 2.52 H new ATOM 0 HE2 PHE A 43 5.884 -3.005 -8.488 1.00 61.12 H new ATOM 0 HZ PHE A 43 4.992 -2.914 -10.805 1.00 31.15 H new ATOM 714 N ASP A 44 3.701 2.351 -9.241 1.00 4.13 N ATOM 715 CA ASP A 44 4.252 2.583 -10.567 1.00 14.54 C ATOM 716 C ASP A 44 5.376 3.608 -10.548 1.00 1.52 C ATOM 717 O ASP A 44 6.224 3.597 -11.426 1.00 63.02 O ATOM 718 CB ASP A 44 3.140 2.951 -11.550 1.00 50.13 C ATOM 719 CG ASP A 44 3.431 2.295 -12.891 1.00 0.35 C ATOM 720 OD1 ASP A 44 3.060 1.108 -13.043 1.00 32.23 O ATOM 721 OD2 ASP A 44 4.022 2.930 -13.794 1.00 61.33 O ATOM 0 H ASP A 44 2.746 2.692 -9.129 1.00 4.13 H new ATOM 0 HA ASP A 44 4.704 1.654 -10.913 1.00 14.54 H new ATOM 0 HB2 ASP A 44 2.175 2.618 -11.169 1.00 50.13 H new ATOM 0 HB3 ASP A 44 3.081 4.033 -11.665 1.00 50.13 H new ATOM 726 N ASP A 45 5.342 4.540 -9.599 1.00 41.41 N ATOM 727 CA ASP A 45 6.367 5.568 -9.411 1.00 60.11 C ATOM 728 C ASP A 45 7.588 4.964 -8.690 1.00 23.32 C ATOM 729 O ASP A 45 8.739 5.352 -8.885 1.00 74.14 O ATOM 730 CB ASP A 45 5.737 6.694 -8.583 1.00 0.43 C ATOM 731 CG ASP A 45 6.443 8.045 -8.655 1.00 31.52 C ATOM 732 OD1 ASP A 45 5.913 8.958 -7.980 1.00 64.53 O ATOM 733 OD2 ASP A 45 7.363 8.258 -9.476 1.00 43.45 O ATOM 0 H ASP A 45 4.582 4.604 -8.921 1.00 41.41 H new ATOM 0 HA ASP A 45 6.714 5.959 -10.367 1.00 60.11 H new ATOM 0 HB2 ASP A 45 4.706 6.826 -8.910 1.00 0.43 H new ATOM 0 HB3 ASP A 45 5.703 6.378 -7.540 1.00 0.43 H new ATOM 738 N LEU A 46 7.312 4.001 -7.804 1.00 1.20 N ATOM 739 CA LEU A 46 8.238 3.253 -6.960 1.00 3.53 C ATOM 740 C LEU A 46 8.987 2.178 -7.733 1.00 51.41 C ATOM 741 O LEU A 46 10.154 1.929 -7.426 1.00 34.53 O ATOM 742 CB LEU A 46 7.427 2.593 -5.824 1.00 23.33 C ATOM 743 CG LEU A 46 8.040 1.318 -5.203 1.00 32.01 C ATOM 744 CD1 LEU A 46 9.242 1.627 -4.309 1.00 51.40 C ATOM 745 CD2 LEU A 46 6.989 0.528 -4.438 1.00 64.13 C ATOM 0 H LEU A 46 6.349 3.702 -7.649 1.00 1.20 H new ATOM 0 HA LEU A 46 8.983 3.946 -6.569 1.00 3.53 H new ATOM 0 HB2 LEU A 46 7.287 3.328 -5.031 1.00 23.33 H new ATOM 0 HB3 LEU A 46 6.437 2.346 -6.208 1.00 23.33 H new ATOM 0 HG LEU A 46 8.404 0.706 -6.029 1.00 32.01 H new ATOM 0 HD11 LEU A 46 9.637 0.699 -3.897 1.00 51.40 H new ATOM 0 HD12 LEU A 46 10.016 2.121 -4.897 1.00 51.40 H new ATOM 0 HD13 LEU A 46 8.931 2.282 -3.495 1.00 51.40 H new ATOM 0 HD21 LEU A 46 7.445 -0.365 -4.010 1.00 64.13 H new ATOM 0 HD22 LEU A 46 6.580 1.146 -3.638 1.00 64.13 H new ATOM 0 HD23 LEU A 46 6.188 0.236 -5.117 1.00 64.13 H new ATOM 757 N ILE A 47 8.357 1.565 -8.733 1.00 41.02 N ATOM 758 CA ILE A 47 8.948 0.494 -9.533 1.00 5.40 C ATOM 759 C ILE A 47 10.267 0.949 -10.153 1.00 52.32 C ATOM 760 O ILE A 47 11.178 0.143 -10.323 1.00 23.45 O ATOM 761 CB ILE A 47 7.924 0.022 -10.591 1.00 44.22 C ATOM 762 CG1 ILE A 47 8.089 -1.469 -10.934 1.00 34.32 C ATOM 763 CG2 ILE A 47 7.912 0.911 -11.849 1.00 63.13 C ATOM 764 CD1 ILE A 47 9.057 -1.769 -12.077 1.00 52.21 C ATOM 0 H ILE A 47 7.406 1.802 -9.015 1.00 41.02 H new ATOM 0 HA ILE A 47 9.186 -0.358 -8.896 1.00 5.40 H new ATOM 0 HB ILE A 47 6.941 0.134 -10.133 1.00 44.22 H new ATOM 0 HG12 ILE A 47 8.430 -1.995 -10.042 1.00 34.32 H new ATOM 0 HG13 ILE A 47 7.111 -1.877 -11.190 1.00 34.32 H new ATOM 0 HG21 ILE A 47 7.174 0.531 -12.556 1.00 63.13 H new ATOM 0 HG22 ILE A 47 7.655 1.933 -11.570 1.00 63.13 H new ATOM 0 HG23 ILE A 47 8.898 0.899 -12.313 1.00 63.13 H new ATOM 0 HD11 ILE A 47 9.104 -2.846 -12.241 1.00 52.21 H new ATOM 0 HD12 ILE A 47 8.710 -1.278 -12.986 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.049 -1.398 -11.820 1.00 52.21 H new ATOM 776 N ASP A 48 10.397 2.252 -10.424 1.00 32.04 N ATOM 777 CA ASP A 48 11.607 2.814 -11.003 1.00 63.23 C ATOM 778 C ASP A 48 12.802 2.525 -10.092 1.00 62.31 C ATOM 779 O ASP A 48 13.937 2.436 -10.555 1.00 44.45 O ATOM 780 CB ASP A 48 11.454 4.325 -11.227 1.00 60.43 C ATOM 781 CG ASP A 48 10.978 4.615 -12.643 1.00 41.33 C ATOM 782 OD1 ASP A 48 11.838 4.638 -13.552 1.00 42.33 O ATOM 783 OD2 ASP A 48 9.753 4.767 -12.855 1.00 44.45 O ATOM 0 H ASP A 48 9.665 2.939 -10.246 1.00 32.04 H new ATOM 0 HA ASP A 48 11.779 2.346 -11.972 1.00 63.23 H new ATOM 0 HB2 ASP A 48 10.743 4.734 -10.509 1.00 60.43 H new ATOM 0 HB3 ASP A 48 12.408 4.822 -11.050 1.00 60.43 H new ATOM 788 N PHE A 49 12.566 2.384 -8.783 1.00 3.11 N ATOM 789 CA PHE A 49 13.608 2.089 -7.819 1.00 62.54 C ATOM 790 C PHE A 49 14.033 0.617 -7.898 1.00 15.20 C ATOM 791 O PHE A 49 15.209 0.346 -7.693 1.00 64.25 O ATOM 792 CB PHE A 49 13.169 2.468 -6.398 1.00 75.44 C ATOM 793 CG PHE A 49 14.248 2.979 -5.453 1.00 50.11 C ATOM 794 CD1 PHE A 49 13.832 3.529 -4.231 1.00 31.31 C ATOM 795 CD2 PHE A 49 15.625 3.000 -5.774 1.00 12.44 C ATOM 796 CE1 PHE A 49 14.755 4.132 -3.367 1.00 15.04 C ATOM 797 CE2 PHE A 49 16.556 3.582 -4.894 1.00 41.51 C ATOM 798 CZ PHE A 49 16.118 4.159 -3.691 1.00 50.13 C ATOM 0 H PHE A 49 11.638 2.474 -8.370 1.00 3.11 H new ATOM 0 HA PHE A 49 14.477 2.697 -8.069 1.00 62.54 H new ATOM 0 HB2 PHE A 49 12.397 3.233 -6.475 1.00 75.44 H new ATOM 0 HB3 PHE A 49 12.706 1.593 -5.942 1.00 75.44 H new ATOM 0 HD1 PHE A 49 12.789 3.487 -3.954 1.00 31.31 H new ATOM 0 HD2 PHE A 49 15.965 2.566 -6.703 1.00 12.44 H new ATOM 0 HE1 PHE A 49 14.414 4.579 -2.445 1.00 15.04 H new ATOM 0 HE2 PHE A 49 17.607 3.585 -5.144 1.00 41.51 H new ATOM 0 HZ PHE A 49 16.827 4.621 -3.020 1.00 50.13 H new ATOM 808 N TYR A 50 13.123 -0.332 -8.166 1.00 34.33 N ATOM 809 CA TYR A 50 13.406 -1.778 -8.290 1.00 14.12 C ATOM 810 C TYR A 50 14.420 -1.998 -9.419 1.00 30.25 C ATOM 811 O TYR A 50 15.229 -2.921 -9.372 1.00 62.33 O ATOM 812 CB TYR A 50 12.091 -2.567 -8.522 1.00 62.34 C ATOM 813 CG TYR A 50 12.102 -3.653 -9.592 1.00 12.21 C ATOM 814 CD1 TYR A 50 12.331 -5.001 -9.267 1.00 33.11 C ATOM 815 CD2 TYR A 50 11.860 -3.305 -10.930 1.00 23.20 C ATOM 816 CE1 TYR A 50 12.342 -5.989 -10.273 1.00 34.14 C ATOM 817 CE2 TYR A 50 11.875 -4.278 -11.944 1.00 71.01 C ATOM 818 CZ TYR A 50 12.146 -5.626 -11.623 1.00 22.20 C ATOM 819 OH TYR A 50 12.202 -6.569 -12.608 1.00 4.13 O ATOM 0 H TYR A 50 12.137 -0.111 -8.308 1.00 34.33 H new ATOM 0 HA TYR A 50 13.842 -2.154 -7.364 1.00 14.12 H new ATOM 0 HB2 TYR A 50 11.804 -3.029 -7.577 1.00 62.34 H new ATOM 0 HB3 TYR A 50 11.310 -1.851 -8.777 1.00 62.34 H new ATOM 0 HD1 TYR A 50 12.500 -5.283 -8.238 1.00 33.11 H new ATOM 0 HD2 TYR A 50 11.659 -2.275 -11.184 1.00 23.20 H new ATOM 0 HE1 TYR A 50 12.501 -7.025 -10.010 1.00 34.14 H new ATOM 0 HE2 TYR A 50 11.679 -3.995 -12.968 1.00 71.01 H new ATOM 0 HH TYR A 50 12.043 -6.144 -13.477 1.00 4.13 H new ATOM 829 N GLU A 51 14.395 -1.129 -10.423 1.00 5.42 N ATOM 830 CA GLU A 51 15.293 -1.179 -11.561 1.00 54.51 C ATOM 831 C GLU A 51 16.704 -0.673 -11.193 1.00 60.13 C ATOM 832 O GLU A 51 17.631 -0.804 -11.994 1.00 30.53 O ATOM 833 CB GLU A 51 14.657 -0.384 -12.719 1.00 12.02 C ATOM 834 CG GLU A 51 13.326 -1.006 -13.175 1.00 1.11 C ATOM 835 CD GLU A 51 13.112 -0.990 -14.688 1.00 50.42 C ATOM 836 OE1 GLU A 51 12.030 -0.558 -15.145 1.00 71.45 O ATOM 837 OE2 GLU A 51 13.945 -1.542 -15.449 1.00 12.24 O ATOM 0 H GLU A 51 13.733 -0.354 -10.465 1.00 5.42 H new ATOM 0 HA GLU A 51 15.431 -2.212 -11.881 1.00 54.51 H new ATOM 0 HB2 GLU A 51 14.488 0.646 -12.403 1.00 12.02 H new ATOM 0 HB3 GLU A 51 15.349 -0.350 -13.560 1.00 12.02 H new ATOM 0 HG2 GLU A 51 13.281 -2.037 -12.824 1.00 1.11 H new ATOM 0 HG3 GLU A 51 12.505 -0.470 -12.698 1.00 1.11 H new ATOM 844 N ARG A 52 16.918 -0.086 -10.006 1.00 1.12 N ATOM 845 CA ARG A 52 18.228 0.424 -9.582 1.00 50.30 C ATOM 846 C ARG A 52 19.067 -0.632 -8.880 1.00 13.52 C ATOM 847 O ARG A 52 20.293 -0.497 -8.890 1.00 64.30 O ATOM 848 CB ARG A 52 18.047 1.641 -8.674 1.00 55.30 C ATOM 849 CG ARG A 52 17.350 2.774 -9.446 1.00 54.23 C ATOM 850 CD ARG A 52 18.276 3.967 -9.659 1.00 25.23 C ATOM 851 NE ARG A 52 18.321 4.843 -8.476 1.00 10.31 N ATOM 852 CZ ARG A 52 17.387 5.742 -8.143 1.00 51.23 C ATOM 853 NH1 ARG A 52 16.276 5.853 -8.869 1.00 64.43 N ATOM 854 NH2 ARG A 52 17.558 6.512 -7.074 1.00 75.43 N ATOM 0 H ARG A 52 16.183 0.048 -9.311 1.00 1.12 H new ATOM 0 HA ARG A 52 18.768 0.713 -10.484 1.00 50.30 H new ATOM 0 HB2 ARG A 52 17.456 1.368 -7.800 1.00 55.30 H new ATOM 0 HB3 ARG A 52 19.017 1.981 -8.310 1.00 55.30 H new ATOM 0 HG2 ARG A 52 17.010 2.400 -10.412 1.00 54.23 H new ATOM 0 HG3 ARG A 52 16.464 3.095 -8.899 1.00 54.23 H new ATOM 0 HD2 ARG A 52 19.281 3.611 -9.886 1.00 25.23 H new ATOM 0 HD3 ARG A 52 17.938 4.540 -10.523 1.00 25.23 H new ATOM 0 HE ARG A 52 19.130 4.758 -7.860 1.00 10.31 H new ATOM 0 HH11 ARG A 52 16.135 5.252 -9.681 1.00 64.43 H new ATOM 0 HH12 ARG A 52 15.566 6.539 -8.613 1.00 64.43 H new ATOM 0 HH21 ARG A 52 18.401 6.418 -6.507 1.00 75.43 H new ATOM 0 HH22 ARG A 52 16.846 7.197 -6.820 1.00 75.43 H new ATOM 868 N LEU A 53 18.456 -1.653 -8.278 1.00 33.43 N ATOM 869 CA LEU A 53 19.115 -2.746 -7.605 1.00 2.33 C ATOM 870 C LEU A 53 20.084 -3.397 -8.578 1.00 74.01 C ATOM 871 O LEU A 53 19.897 -3.347 -9.795 1.00 23.33 O ATOM 872 CB LEU A 53 18.036 -3.763 -7.207 1.00 73.04 C ATOM 873 CG LEU A 53 17.126 -3.277 -6.069 1.00 72.20 C ATOM 874 CD1 LEU A 53 16.320 -2.014 -6.288 1.00 3.21 C ATOM 875 CD2 LEU A 53 16.203 -4.405 -5.609 1.00 44.35 C ATOM 0 H LEU A 53 17.440 -1.733 -8.252 1.00 33.43 H new ATOM 0 HA LEU A 53 19.657 -2.400 -6.725 1.00 2.33 H new ATOM 0 HB2 LEU A 53 17.423 -3.991 -8.079 1.00 73.04 H new ATOM 0 HB3 LEU A 53 18.518 -4.693 -6.904 1.00 73.04 H new ATOM 0 HG LEU A 53 17.842 -2.987 -5.300 1.00 72.20 H new ATOM 0 HD11 LEU A 53 15.729 -1.801 -5.398 1.00 3.21 H new ATOM 0 HD12 LEU A 53 16.995 -1.181 -6.483 1.00 3.21 H new ATOM 0 HD13 LEU A 53 15.655 -2.150 -7.141 1.00 3.21 H new ATOM 0 HD21 LEU A 53 15.564 -4.046 -4.802 1.00 44.35 H new ATOM 0 HD22 LEU A 53 15.584 -4.732 -6.444 1.00 44.35 H new ATOM 0 HD23 LEU A 53 16.802 -5.243 -5.252 1.00 44.35 H new ATOM 887 N ASP A 54 21.116 -4.026 -8.032 1.00 0.30 N ATOM 888 CA ASP A 54 22.116 -4.698 -8.855 1.00 34.04 C ATOM 889 C ASP A 54 21.470 -5.850 -9.620 1.00 4.11 C ATOM 890 O ASP A 54 21.709 -6.026 -10.810 1.00 63.34 O ATOM 891 CB ASP A 54 23.252 -5.214 -7.977 1.00 2.11 C ATOM 892 CG ASP A 54 24.195 -6.082 -8.805 1.00 74.21 C ATOM 893 OD1 ASP A 54 25.156 -5.545 -9.411 1.00 34.40 O ATOM 894 OD2 ASP A 54 23.995 -7.317 -8.846 1.00 21.11 O ATOM 0 H ASP A 54 21.284 -4.086 -7.028 1.00 0.30 H new ATOM 0 HA ASP A 54 22.525 -3.987 -9.573 1.00 34.04 H new ATOM 0 HB2 ASP A 54 23.800 -4.376 -7.546 1.00 2.11 H new ATOM 0 HB3 ASP A 54 22.847 -5.792 -7.146 1.00 2.11 H new ATOM 899 N THR A 55 20.650 -6.628 -8.923 1.00 24.33 N ATOM 900 CA THR A 55 19.919 -7.776 -9.431 1.00 33.30 C ATOM 901 C THR A 55 18.672 -7.901 -8.553 1.00 14.14 C ATOM 902 O THR A 55 18.757 -8.454 -7.454 1.00 61.25 O ATOM 903 CB THR A 55 20.796 -9.051 -9.423 1.00 2.33 C ATOM 904 OG1 THR A 55 21.858 -8.990 -8.480 1.00 60.54 O ATOM 905 CG2 THR A 55 21.409 -9.331 -10.792 1.00 71.11 C ATOM 0 H THR A 55 20.469 -6.463 -7.933 1.00 24.33 H new ATOM 0 HA THR A 55 19.632 -7.646 -10.475 1.00 33.30 H new ATOM 0 HB THR A 55 20.113 -9.853 -9.143 1.00 2.33 H new ATOM 0 HG1 THR A 55 22.527 -8.340 -8.782 1.00 60.54 H new ATOM 0 HG21 THR A 55 22.017 -10.235 -10.741 1.00 71.11 H new ATOM 0 HG22 THR A 55 20.614 -9.469 -11.525 1.00 71.11 H new ATOM 0 HG23 THR A 55 22.035 -8.490 -11.089 1.00 71.11 H new ATOM 913 N PRO A 56 17.528 -7.328 -8.960 1.00 21.04 N ATOM 914 CA PRO A 56 16.306 -7.401 -8.177 1.00 65.11 C ATOM 915 C PRO A 56 15.730 -8.832 -8.229 1.00 3.35 C ATOM 916 O PRO A 56 15.367 -9.278 -9.317 1.00 75.13 O ATOM 917 CB PRO A 56 15.382 -6.387 -8.834 1.00 3.12 C ATOM 918 CG PRO A 56 15.816 -6.326 -10.296 1.00 73.11 C ATOM 919 CD PRO A 56 17.308 -6.629 -10.223 1.00 33.42 C ATOM 0 HA PRO A 56 16.453 -7.180 -7.120 1.00 65.11 H new ATOM 0 HB2 PRO A 56 14.339 -6.692 -8.747 1.00 3.12 H new ATOM 0 HB3 PRO A 56 15.469 -5.410 -8.358 1.00 3.12 H new ATOM 0 HG2 PRO A 56 15.285 -7.057 -10.906 1.00 73.11 H new ATOM 0 HG3 PRO A 56 15.624 -5.346 -10.734 1.00 73.11 H new ATOM 0 HD2 PRO A 56 17.621 -7.245 -11.067 1.00 33.42 H new ATOM 0 HD3 PRO A 56 17.893 -5.710 -10.265 1.00 33.42 H new ATOM 927 N PRO A 57 15.583 -9.556 -7.106 1.00 13.54 N ATOM 928 CA PRO A 57 15.065 -10.923 -7.111 1.00 73.13 C ATOM 929 C PRO A 57 13.569 -11.009 -7.464 1.00 64.25 C ATOM 930 O PRO A 57 13.195 -11.528 -8.522 1.00 51.24 O ATOM 931 CB PRO A 57 15.397 -11.471 -5.720 1.00 4.11 C ATOM 932 CG PRO A 57 15.439 -10.232 -4.825 1.00 41.21 C ATOM 933 CD PRO A 57 15.969 -9.151 -5.761 1.00 64.21 C ATOM 0 HA PRO A 57 15.526 -11.523 -7.896 1.00 73.13 H new ATOM 0 HB2 PRO A 57 14.642 -12.181 -5.382 1.00 4.11 H new ATOM 0 HB3 PRO A 57 16.352 -11.996 -5.717 1.00 4.11 H new ATOM 0 HG2 PRO A 57 14.452 -9.981 -4.436 1.00 41.21 H new ATOM 0 HG3 PRO A 57 16.093 -10.377 -3.965 1.00 41.21 H new ATOM 0 HD2 PRO A 57 15.547 -8.178 -5.511 1.00 64.21 H new ATOM 0 HD3 PRO A 57 17.052 -9.060 -5.677 1.00 64.21 H new ATOM 941 N PHE A 58 12.695 -10.536 -6.571 1.00 14.32 N ATOM 942 CA PHE A 58 11.252 -10.548 -6.775 1.00 41.45 C ATOM 943 C PHE A 58 10.918 -9.602 -7.928 1.00 74.43 C ATOM 944 O PHE A 58 11.351 -8.444 -7.913 1.00 62.41 O ATOM 945 CB PHE A 58 10.523 -10.101 -5.498 1.00 22.31 C ATOM 946 CG PHE A 58 10.332 -11.185 -4.450 1.00 51.05 C ATOM 947 CD1 PHE A 58 9.111 -11.882 -4.384 1.00 71.20 C ATOM 948 CD2 PHE A 58 11.341 -11.471 -3.511 1.00 72.44 C ATOM 949 CE1 PHE A 58 8.883 -12.830 -3.373 1.00 3.44 C ATOM 950 CE2 PHE A 58 11.127 -12.448 -2.521 1.00 33.11 C ATOM 951 CZ PHE A 58 9.895 -13.119 -2.442 1.00 61.44 C ATOM 0 H PHE A 58 12.977 -10.131 -5.678 1.00 14.32 H new ATOM 0 HA PHE A 58 10.924 -11.560 -7.014 1.00 41.45 H new ATOM 0 HB2 PHE A 58 11.080 -9.278 -5.050 1.00 22.31 H new ATOM 0 HB3 PHE A 58 9.544 -9.709 -5.775 1.00 22.31 H new ATOM 0 HD1 PHE A 58 8.343 -11.686 -5.117 1.00 71.20 H new ATOM 0 HD2 PHE A 58 12.281 -10.940 -3.550 1.00 72.44 H new ATOM 0 HE1 PHE A 58 7.931 -13.336 -3.311 1.00 3.44 H new ATOM 0 HE2 PHE A 58 11.913 -12.683 -1.819 1.00 33.11 H new ATOM 0 HZ PHE A 58 9.727 -13.854 -1.669 1.00 61.44 H new ATOM 961 N SER A 59 10.176 -10.078 -8.932 1.00 22.44 N ATOM 962 CA SER A 59 9.792 -9.243 -10.062 1.00 75.33 C ATOM 963 C SER A 59 8.695 -8.265 -9.623 1.00 53.23 C ATOM 964 O SER A 59 7.928 -8.535 -8.693 1.00 13.51 O ATOM 965 CB SER A 59 9.308 -10.100 -11.237 1.00 71.33 C ATOM 966 OG SER A 59 10.348 -10.911 -11.753 1.00 64.11 O ATOM 0 H SER A 59 9.832 -11.037 -8.981 1.00 22.44 H new ATOM 0 HA SER A 59 10.664 -8.681 -10.398 1.00 75.33 H new ATOM 0 HB2 SER A 59 8.481 -10.731 -10.912 1.00 71.33 H new ATOM 0 HB3 SER A 59 8.924 -9.453 -12.026 1.00 71.33 H new ATOM 0 HG SER A 59 10.006 -11.446 -12.500 1.00 64.11 H new ATOM 972 N LYS A 60 8.549 -7.173 -10.382 1.00 43.14 N ATOM 973 CA LYS A 60 7.582 -6.096 -10.151 1.00 43.43 C ATOM 974 C LYS A 60 6.149 -6.556 -9.890 1.00 42.30 C ATOM 975 O LYS A 60 5.424 -5.878 -9.162 1.00 41.04 O ATOM 976 CB LYS A 60 7.690 -5.064 -11.286 1.00 53.40 C ATOM 977 CG LYS A 60 7.353 -5.585 -12.701 1.00 42.20 C ATOM 978 CD LYS A 60 8.144 -4.868 -13.820 1.00 32.44 C ATOM 979 CE LYS A 60 7.396 -3.925 -14.772 1.00 0.22 C ATOM 980 NZ LYS A 60 6.413 -3.030 -14.130 1.00 23.34 N ATOM 0 H LYS A 60 9.125 -7.010 -11.208 1.00 43.14 H new ATOM 0 HA LYS A 60 7.853 -5.621 -9.208 1.00 43.43 H new ATOM 0 HB2 LYS A 60 7.026 -4.230 -11.058 1.00 53.40 H new ATOM 0 HB3 LYS A 60 8.706 -4.669 -11.297 1.00 53.40 H new ATOM 0 HG2 LYS A 60 7.561 -6.654 -12.746 1.00 42.20 H new ATOM 0 HG3 LYS A 60 6.286 -5.460 -12.882 1.00 42.20 H new ATOM 0 HD2 LYS A 60 8.939 -4.293 -13.345 1.00 32.44 H new ATOM 0 HD3 LYS A 60 8.625 -5.635 -14.427 1.00 32.44 H new ATOM 0 HE2 LYS A 60 8.128 -3.314 -15.301 1.00 0.22 H new ATOM 0 HE3 LYS A 60 6.881 -4.526 -15.521 1.00 0.22 H new ATOM 0 HZ1 LYS A 60 6.214 -2.226 -14.758 1.00 23.34 H new ATOM 0 HZ2 LYS A 60 5.533 -3.554 -13.949 1.00 23.34 H new ATOM 0 HZ3 LYS A 60 6.799 -2.679 -13.230 1.00 23.34 H new ATOM 994 N LYS A 61 5.715 -7.684 -10.465 1.00 62.21 N ATOM 995 CA LYS A 61 4.362 -8.179 -10.232 1.00 51.42 C ATOM 996 C LYS A 61 4.191 -8.508 -8.749 1.00 71.41 C ATOM 997 O LYS A 61 3.241 -8.002 -8.154 1.00 64.43 O ATOM 998 CB LYS A 61 3.990 -9.343 -11.166 1.00 72.30 C ATOM 999 CG LYS A 61 3.453 -8.831 -12.513 1.00 13.23 C ATOM 1000 CD LYS A 61 4.506 -8.488 -13.577 1.00 4.21 C ATOM 1001 CE LYS A 61 3.938 -7.463 -14.571 1.00 55.22 C ATOM 1002 NZ LYS A 61 4.774 -7.318 -15.780 1.00 71.23 N ATOM 0 H LYS A 61 6.278 -8.263 -11.088 1.00 62.21 H new ATOM 0 HA LYS A 61 3.650 -7.393 -10.484 1.00 51.42 H new ATOM 0 HB2 LYS A 61 4.866 -9.969 -11.336 1.00 72.30 H new ATOM 0 HB3 LYS A 61 3.238 -9.970 -10.687 1.00 72.30 H new ATOM 0 HG2 LYS A 61 2.784 -9.587 -12.924 1.00 13.23 H new ATOM 0 HG3 LYS A 61 2.852 -7.941 -12.326 1.00 13.23 H new ATOM 0 HD2 LYS A 61 5.400 -8.086 -13.099 1.00 4.21 H new ATOM 0 HD3 LYS A 61 4.807 -9.392 -14.107 1.00 4.21 H new ATOM 0 HE2 LYS A 61 2.932 -7.765 -14.864 1.00 55.22 H new ATOM 0 HE3 LYS A 61 3.849 -6.495 -14.078 1.00 55.22 H new ATOM 0 HZ1 LYS A 61 4.346 -6.615 -16.416 1.00 71.23 H new ATOM 0 HZ2 LYS A 61 5.727 -7.003 -15.507 1.00 71.23 H new ATOM 0 HZ3 LYS A 61 4.839 -8.234 -16.269 1.00 71.23 H new ATOM 1016 N SER A 62 5.092 -9.292 -8.144 1.00 31.13 N ATOM 1017 CA SER A 62 5.013 -9.632 -6.722 1.00 42.25 C ATOM 1018 C SER A 62 4.989 -8.354 -5.880 1.00 74.43 C ATOM 1019 O SER A 62 4.203 -8.268 -4.940 1.00 33.44 O ATOM 1020 CB SER A 62 6.206 -10.501 -6.299 1.00 62.34 C ATOM 1021 OG SER A 62 5.802 -11.818 -5.970 1.00 71.31 O ATOM 0 H SER A 62 5.891 -9.705 -8.625 1.00 31.13 H new ATOM 0 HA SER A 62 4.095 -10.196 -6.558 1.00 42.25 H new ATOM 0 HB2 SER A 62 6.936 -10.535 -7.107 1.00 62.34 H new ATOM 0 HB3 SER A 62 6.701 -10.047 -5.441 1.00 62.34 H new ATOM 0 HG SER A 62 6.594 -12.386 -5.862 1.00 71.31 H new ATOM 1027 N LEU A 63 5.806 -7.354 -6.239 1.00 64.54 N ATOM 1028 CA LEU A 63 5.889 -6.075 -5.538 1.00 45.22 C ATOM 1029 C LEU A 63 4.489 -5.464 -5.441 1.00 3.25 C ATOM 1030 O LEU A 63 4.016 -5.154 -4.348 1.00 74.21 O ATOM 1031 CB LEU A 63 6.858 -5.131 -6.283 1.00 11.13 C ATOM 1032 CG LEU A 63 7.477 -4.033 -5.394 1.00 32.31 C ATOM 1033 CD1 LEU A 63 8.792 -4.495 -4.771 1.00 62.45 C ATOM 1034 CD2 LEU A 63 7.798 -2.767 -6.193 1.00 50.01 C ATOM 0 H LEU A 63 6.436 -7.417 -7.039 1.00 64.54 H new ATOM 0 HA LEU A 63 6.275 -6.226 -4.530 1.00 45.22 H new ATOM 0 HB2 LEU A 63 7.661 -5.724 -6.721 1.00 11.13 H new ATOM 0 HB3 LEU A 63 6.325 -4.658 -7.108 1.00 11.13 H new ATOM 0 HG LEU A 63 6.732 -3.824 -4.626 1.00 32.31 H new ATOM 0 HD11 LEU A 63 9.201 -3.697 -4.151 1.00 62.45 H new ATOM 0 HD12 LEU A 63 8.613 -5.377 -4.156 1.00 62.45 H new ATOM 0 HD13 LEU A 63 9.502 -4.741 -5.561 1.00 62.45 H new ATOM 0 HD21 LEU A 63 8.232 -2.019 -5.530 1.00 50.01 H new ATOM 0 HD22 LEU A 63 8.508 -3.007 -6.984 1.00 50.01 H new ATOM 0 HD23 LEU A 63 6.882 -2.373 -6.634 1.00 50.01 H new ATOM 1046 N ARG A 64 3.796 -5.340 -6.579 1.00 52.41 N ATOM 1047 CA ARG A 64 2.457 -4.766 -6.629 1.00 13.14 C ATOM 1048 C ARG A 64 1.411 -5.640 -5.953 1.00 70.45 C ATOM 1049 O ARG A 64 0.583 -5.100 -5.221 1.00 21.34 O ATOM 1050 CB ARG A 64 2.075 -4.472 -8.089 1.00 71.52 C ATOM 1051 CG ARG A 64 0.734 -3.743 -8.283 1.00 23.14 C ATOM 1052 CD ARG A 64 0.538 -2.567 -7.313 1.00 75.30 C ATOM 1053 NE ARG A 64 -0.239 -1.466 -7.901 1.00 22.14 N ATOM 1054 CZ ARG A 64 -0.762 -0.435 -7.227 1.00 54.51 C ATOM 1055 NH1 ARG A 64 -0.540 -0.318 -5.918 1.00 5.52 N ATOM 1056 NH2 ARG A 64 -1.501 0.480 -7.847 1.00 71.50 N ATOM 0 H ARG A 64 4.152 -5.636 -7.488 1.00 52.41 H new ATOM 0 HA ARG A 64 2.478 -3.834 -6.064 1.00 13.14 H new ATOM 0 HB2 ARG A 64 2.865 -3.872 -8.540 1.00 71.52 H new ATOM 0 HB3 ARG A 64 2.040 -5.415 -8.635 1.00 71.52 H new ATOM 0 HG2 ARG A 64 0.673 -3.375 -9.307 1.00 23.14 H new ATOM 0 HG3 ARG A 64 -0.081 -4.454 -8.151 1.00 23.14 H new ATOM 0 HD2 ARG A 64 0.033 -2.923 -6.415 1.00 75.30 H new ATOM 0 HD3 ARG A 64 1.513 -2.192 -7.002 1.00 75.30 H new ATOM 0 HE ARG A 64 -0.393 -1.490 -8.909 1.00 22.14 H new ATOM 0 HH11 ARG A 64 0.027 -1.013 -5.433 1.00 5.52 H new ATOM 0 HH12 ARG A 64 -0.937 0.467 -5.401 1.00 5.52 H new ATOM 0 HH21 ARG A 64 -1.676 0.401 -8.849 1.00 71.50 H new ATOM 0 HH22 ARG A 64 -1.893 1.261 -7.321 1.00 71.50 H new ATOM 1070 N GLU A 65 1.420 -6.949 -6.207 1.00 74.23 N ATOM 1071 CA GLU A 65 0.472 -7.902 -5.629 1.00 34.14 C ATOM 1072 C GLU A 65 0.493 -7.820 -4.105 1.00 70.40 C ATOM 1073 O GLU A 65 -0.547 -7.943 -3.449 1.00 45.20 O ATOM 1074 CB GLU A 65 0.835 -9.328 -6.077 1.00 31.15 C ATOM 1075 CG GLU A 65 0.393 -9.621 -7.512 1.00 60.11 C ATOM 1076 CD GLU A 65 -1.097 -9.942 -7.580 1.00 64.02 C ATOM 1077 OE1 GLU A 65 -1.917 -9.004 -7.716 1.00 60.21 O ATOM 1078 OE2 GLU A 65 -1.441 -11.146 -7.523 1.00 54.30 O ATOM 0 H GLU A 65 2.099 -7.385 -6.832 1.00 74.23 H new ATOM 0 HA GLU A 65 -0.531 -7.654 -5.978 1.00 34.14 H new ATOM 0 HB2 GLU A 65 1.913 -9.467 -5.997 1.00 31.15 H new ATOM 0 HB3 GLU A 65 0.369 -10.047 -5.403 1.00 31.15 H new ATOM 0 HG2 GLU A 65 0.611 -8.760 -8.144 1.00 60.11 H new ATOM 0 HG3 GLU A 65 0.966 -10.460 -7.907 1.00 60.11 H new ATOM 1085 N ALA A 66 1.688 -7.654 -3.545 1.00 12.52 N ATOM 1086 CA ALA A 66 1.887 -7.534 -2.125 1.00 31.04 C ATOM 1087 C ALA A 66 1.426 -6.158 -1.641 1.00 14.03 C ATOM 1088 O ALA A 66 0.626 -6.097 -0.712 1.00 35.11 O ATOM 1089 CB ALA A 66 3.358 -7.781 -1.823 1.00 61.45 C ATOM 0 H ALA A 66 2.552 -7.600 -4.084 1.00 12.52 H new ATOM 0 HA ALA A 66 1.291 -8.274 -1.591 1.00 31.04 H new ATOM 0 HB1 ALA A 66 3.529 -7.694 -0.750 1.00 61.45 H new ATOM 0 HB2 ALA A 66 3.634 -8.782 -2.155 1.00 61.45 H new ATOM 0 HB3 ALA A 66 3.966 -7.044 -2.348 1.00 61.45 H new ATOM 1095 N LEU A 67 1.864 -5.064 -2.279 1.00 14.33 N ATOM 1096 CA LEU A 67 1.497 -3.705 -1.868 1.00 11.53 C ATOM 1097 C LEU A 67 -0.020 -3.526 -1.807 1.00 24.30 C ATOM 1098 O LEU A 67 -0.510 -2.918 -0.854 1.00 10.23 O ATOM 1099 CB LEU A 67 2.155 -2.650 -2.783 1.00 43.20 C ATOM 1100 CG LEU A 67 2.675 -1.395 -2.046 1.00 21.11 C ATOM 1101 CD1 LEU A 67 3.291 -0.434 -3.067 1.00 75.11 C ATOM 1102 CD2 LEU A 67 1.611 -0.632 -1.248 1.00 73.13 C ATOM 0 H LEU A 67 2.480 -5.097 -3.091 1.00 14.33 H new ATOM 0 HA LEU A 67 1.880 -3.552 -0.859 1.00 11.53 H new ATOM 0 HB2 LEU A 67 2.987 -3.115 -3.313 1.00 43.20 H new ATOM 0 HB3 LEU A 67 1.431 -2.339 -3.536 1.00 43.20 H new ATOM 0 HG LEU A 67 3.405 -1.759 -1.322 1.00 21.11 H new ATOM 0 HD11 LEU A 67 3.660 0.454 -2.554 1.00 75.11 H new ATOM 0 HD12 LEU A 67 4.117 -0.927 -3.579 1.00 75.11 H new ATOM 0 HD13 LEU A 67 2.534 -0.144 -3.796 1.00 75.11 H new ATOM 0 HD21 LEU A 67 2.068 0.232 -0.766 1.00 73.13 H new ATOM 0 HD22 LEU A 67 0.822 -0.297 -1.921 1.00 73.13 H new ATOM 0 HD23 LEU A 67 1.185 -1.288 -0.489 1.00 73.13 H new ATOM 1114 N SER A 68 -0.784 -4.088 -2.753 1.00 75.21 N ATOM 1115 CA SER A 68 -2.235 -3.939 -2.710 1.00 72.25 C ATOM 1116 C SER A 68 -2.828 -4.472 -1.400 1.00 64.34 C ATOM 1117 O SER A 68 -3.813 -3.906 -0.929 1.00 32.34 O ATOM 1118 CB SER A 68 -2.918 -4.522 -3.948 1.00 61.55 C ATOM 1119 OG SER A 68 -2.279 -5.674 -4.465 1.00 72.42 O ATOM 0 H SER A 68 -0.429 -4.636 -3.537 1.00 75.21 H new ATOM 0 HA SER A 68 -2.442 -2.869 -2.730 1.00 72.25 H new ATOM 0 HB2 SER A 68 -3.949 -4.771 -3.699 1.00 61.55 H new ATOM 0 HB3 SER A 68 -2.954 -3.758 -4.725 1.00 61.55 H new ATOM 0 HG SER A 68 -1.858 -6.171 -3.733 1.00 72.42 H new ATOM 1125 N TYR A 69 -2.238 -5.518 -0.799 1.00 12.42 N ATOM 1126 CA TYR A 69 -2.721 -6.078 0.459 1.00 22.23 C ATOM 1127 C TYR A 69 -2.565 -5.070 1.599 1.00 72.25 C ATOM 1128 O TYR A 69 -3.373 -5.102 2.527 1.00 73.04 O ATOM 1129 CB TYR A 69 -2.010 -7.391 0.827 1.00 41.23 C ATOM 1130 CG TYR A 69 -2.800 -8.639 0.513 1.00 21.11 C ATOM 1131 CD1 TYR A 69 -3.938 -8.935 1.284 1.00 71.51 C ATOM 1132 CD2 TYR A 69 -2.390 -9.517 -0.508 1.00 70.02 C ATOM 1133 CE1 TYR A 69 -4.678 -10.101 1.033 1.00 2.22 C ATOM 1134 CE2 TYR A 69 -3.136 -10.681 -0.772 1.00 0.33 C ATOM 1135 CZ TYR A 69 -4.283 -10.978 0.003 1.00 4.13 C ATOM 1136 OH TYR A 69 -5.049 -12.070 -0.255 1.00 11.33 O ATOM 0 H TYR A 69 -1.417 -5.992 -1.175 1.00 12.42 H new ATOM 0 HA TYR A 69 -3.778 -6.301 0.314 1.00 22.23 H new ATOM 0 HB2 TYR A 69 -1.059 -7.435 0.297 1.00 41.23 H new ATOM 0 HB3 TYR A 69 -1.781 -7.379 1.893 1.00 41.23 H new ATOM 0 HD1 TYR A 69 -4.244 -8.263 2.072 1.00 71.51 H new ATOM 0 HD2 TYR A 69 -1.505 -9.298 -1.087 1.00 70.02 H new ATOM 0 HE1 TYR A 69 -5.550 -10.326 1.629 1.00 2.22 H new ATOM 0 HE2 TYR A 69 -2.833 -11.348 -1.566 1.00 0.33 H new ATOM 0 HH TYR A 69 -4.653 -12.581 -0.992 1.00 11.33 H new ATOM 1146 N TYR A 70 -1.528 -4.224 1.598 1.00 14.24 N ATOM 1147 CA TYR A 70 -1.359 -3.221 2.652 1.00 72.12 C ATOM 1148 C TYR A 70 -2.543 -2.265 2.545 1.00 22.34 C ATOM 1149 O TYR A 70 -3.205 -1.981 3.539 1.00 52.31 O ATOM 1150 CB TYR A 70 -0.012 -2.496 2.545 1.00 41.13 C ATOM 1151 CG TYR A 70 0.978 -2.886 3.625 1.00 62.11 C ATOM 1152 CD1 TYR A 70 1.262 -4.243 3.882 1.00 32.41 C ATOM 1153 CD2 TYR A 70 1.656 -1.885 4.344 1.00 54.13 C ATOM 1154 CE1 TYR A 70 2.242 -4.603 4.828 1.00 72.24 C ATOM 1155 CE2 TYR A 70 2.637 -2.243 5.279 1.00 63.05 C ATOM 1156 CZ TYR A 70 2.945 -3.594 5.522 1.00 70.13 C ATOM 1157 OH TYR A 70 3.922 -3.896 6.415 1.00 45.13 O ATOM 0 H TYR A 70 -0.799 -4.215 0.884 1.00 14.24 H new ATOM 0 HA TYR A 70 -1.344 -3.695 3.634 1.00 72.12 H new ATOM 0 HB2 TYR A 70 0.427 -2.706 1.570 1.00 41.13 H new ATOM 0 HB3 TYR A 70 -0.183 -1.421 2.593 1.00 41.13 H new ATOM 0 HD1 TYR A 70 0.724 -5.013 3.349 1.00 32.41 H new ATOM 0 HD2 TYR A 70 1.422 -0.844 4.176 1.00 54.13 H new ATOM 0 HE1 TYR A 70 2.454 -5.644 5.021 1.00 72.24 H new ATOM 0 HE2 TYR A 70 3.164 -1.471 5.820 1.00 63.05 H new ATOM 0 HH TYR A 70 4.448 -3.092 6.609 1.00 45.13 H new ATOM 1167 N SER A 71 -2.873 -1.832 1.332 1.00 15.34 N ATOM 1168 CA SER A 71 -4.016 -0.945 1.097 1.00 31.12 C ATOM 1169 C SER A 71 -5.370 -1.659 1.277 1.00 13.01 C ATOM 1170 O SER A 71 -6.424 -1.063 1.057 1.00 1.12 O ATOM 1171 CB SER A 71 -3.908 -0.295 -0.274 1.00 41.03 C ATOM 1172 OG SER A 71 -3.276 -1.142 -1.223 1.00 11.31 O ATOM 0 H SER A 71 -2.361 -2.082 0.486 1.00 15.34 H new ATOM 0 HA SER A 71 -3.982 -0.164 1.857 1.00 31.12 H new ATOM 0 HB2 SER A 71 -4.905 -0.034 -0.630 1.00 41.03 H new ATOM 0 HB3 SER A 71 -3.346 0.635 -0.190 1.00 41.03 H new ATOM 0 HG SER A 71 -3.568 -2.067 -1.082 1.00 11.31 H new ATOM 1178 N ALA A 72 -5.357 -2.947 1.614 1.00 63.13 N ATOM 1179 CA ALA A 72 -6.525 -3.772 1.862 1.00 20.44 C ATOM 1180 C ALA A 72 -6.588 -4.110 3.361 1.00 52.42 C ATOM 1181 O ALA A 72 -7.461 -4.876 3.777 1.00 21.14 O ATOM 1182 CB ALA A 72 -6.434 -5.047 1.020 1.00 30.12 C ATOM 0 H ALA A 72 -4.485 -3.464 1.726 1.00 63.13 H new ATOM 0 HA ALA A 72 -7.433 -3.238 1.582 1.00 20.44 H new ATOM 0 HB1 ALA A 72 -7.310 -5.668 1.205 1.00 30.12 H new ATOM 0 HB2 ALA A 72 -6.393 -4.783 -0.037 1.00 30.12 H new ATOM 0 HB3 ALA A 72 -5.534 -5.599 1.292 1.00 30.12 H new ATOM 1188 N SER A 73 -5.627 -3.597 4.148 1.00 63.12 N ATOM 1189 CA SER A 73 -5.559 -3.842 5.583 1.00 0.32 C ATOM 1190 C SER A 73 -6.803 -3.262 6.266 1.00 53.12 C ATOM 1191 O SER A 73 -7.424 -2.343 5.721 1.00 14.43 O ATOM 1192 CB SER A 73 -4.230 -3.346 6.173 1.00 71.24 C ATOM 1193 OG SER A 73 -3.993 -1.961 6.018 1.00 70.12 O ATOM 0 H SER A 73 -4.878 -3.000 3.798 1.00 63.12 H new ATOM 0 HA SER A 73 -5.568 -4.915 5.774 1.00 0.32 H new ATOM 0 HB2 SER A 73 -4.208 -3.587 7.236 1.00 71.24 H new ATOM 0 HB3 SER A 73 -3.413 -3.895 5.704 1.00 71.24 H new ATOM 0 HG SER A 73 -3.474 -1.807 5.201 1.00 70.12 H new ATOM 1199 N PRO A 74 -7.174 -3.759 7.458 1.00 63.41 N ATOM 1200 CA PRO A 74 -8.359 -3.278 8.134 1.00 32.10 C ATOM 1201 C PRO A 74 -8.231 -1.807 8.482 1.00 35.54 C ATOM 1202 O PRO A 74 -9.108 -1.037 8.115 1.00 61.02 O ATOM 1203 CB PRO A 74 -8.568 -4.163 9.362 1.00 55.45 C ATOM 1204 CG PRO A 74 -7.246 -4.901 9.562 1.00 52.35 C ATOM 1205 CD PRO A 74 -6.529 -4.820 8.217 1.00 55.13 C ATOM 0 HA PRO A 74 -9.234 -3.344 7.488 1.00 32.10 H new ATOM 0 HB2 PRO A 74 -8.821 -3.566 10.238 1.00 55.45 H new ATOM 0 HB3 PRO A 74 -9.389 -4.863 9.206 1.00 55.45 H new ATOM 0 HG2 PRO A 74 -6.654 -4.439 10.352 1.00 52.35 H new ATOM 0 HG3 PRO A 74 -7.415 -5.937 9.855 1.00 52.35 H new ATOM 0 HD2 PRO A 74 -5.469 -4.606 8.356 1.00 55.13 H new ATOM 0 HD3 PRO A 74 -6.595 -5.770 7.686 1.00 55.13 H new ATOM 1213 N ALA A 75 -7.137 -1.402 9.130 1.00 64.13 N ATOM 1214 CA ALA A 75 -6.925 -0.020 9.528 1.00 22.22 C ATOM 1215 C ALA A 75 -7.010 0.969 8.366 1.00 54.11 C ATOM 1216 O ALA A 75 -7.670 1.990 8.508 1.00 10.35 O ATOM 1217 CB ALA A 75 -5.571 0.087 10.214 1.00 63.55 C ATOM 0 H ALA A 75 -6.376 -2.028 9.391 1.00 64.13 H new ATOM 0 HA ALA A 75 -7.730 0.253 10.210 1.00 22.22 H new ATOM 0 HB1 ALA A 75 -5.398 1.119 10.518 1.00 63.55 H new ATOM 0 HB2 ALA A 75 -5.556 -0.558 11.093 1.00 63.55 H new ATOM 0 HB3 ALA A 75 -4.787 -0.224 9.523 1.00 63.55 H new ATOM 1223 N TYR A 76 -6.370 0.689 7.226 1.00 52.52 N ATOM 1224 CA TYR A 76 -6.389 1.591 6.072 1.00 34.41 C ATOM 1225 C TYR A 76 -7.821 1.905 5.637 1.00 23.04 C ATOM 1226 O TYR A 76 -8.144 3.065 5.356 1.00 40.32 O ATOM 1227 CB TYR A 76 -5.560 0.956 4.932 1.00 75.43 C ATOM 1228 CG TYR A 76 -5.540 1.681 3.592 1.00 24.23 C ATOM 1229 CD1 TYR A 76 -4.382 2.349 3.134 1.00 31.15 C ATOM 1230 CD2 TYR A 76 -6.657 1.587 2.741 1.00 42.31 C ATOM 1231 CE1 TYR A 76 -4.350 2.897 1.840 1.00 0.40 C ATOM 1232 CE2 TYR A 76 -6.644 2.163 1.461 1.00 61.23 C ATOM 1233 CZ TYR A 76 -5.484 2.820 1.003 1.00 62.34 C ATOM 1234 OH TYR A 76 -5.448 3.364 -0.242 1.00 2.35 O ATOM 0 H TYR A 76 -5.828 -0.163 7.078 1.00 52.52 H new ATOM 0 HA TYR A 76 -5.939 2.546 6.344 1.00 34.41 H new ATOM 0 HB2 TYR A 76 -4.531 0.859 5.278 1.00 75.43 H new ATOM 0 HB3 TYR A 76 -5.936 -0.053 4.764 1.00 75.43 H new ATOM 0 HD1 TYR A 76 -3.520 2.439 3.779 1.00 31.15 H new ATOM 0 HD2 TYR A 76 -7.539 1.063 3.078 1.00 42.31 H new ATOM 0 HE1 TYR A 76 -3.452 3.380 1.484 1.00 0.40 H new ATOM 0 HE2 TYR A 76 -7.519 2.103 0.830 1.00 61.23 H new ATOM 0 HH TYR A 76 -6.310 3.222 -0.686 1.00 2.35 H new ATOM 1244 N LEU A 77 -8.655 0.870 5.539 1.00 34.23 N ATOM 1245 CA LEU A 77 -10.040 1.018 5.119 1.00 21.42 C ATOM 1246 C LEU A 77 -10.895 1.603 6.242 1.00 65.55 C ATOM 1247 O LEU A 77 -11.565 2.602 6.020 1.00 22.34 O ATOM 1248 CB LEU A 77 -10.574 -0.335 4.638 1.00 60.33 C ATOM 1249 CG LEU A 77 -9.729 -0.952 3.502 1.00 50.13 C ATOM 1250 CD1 LEU A 77 -10.000 -2.452 3.469 1.00 1.13 C ATOM 1251 CD2 LEU A 77 -9.951 -0.273 2.147 1.00 41.01 C ATOM 0 H LEU A 77 -8.386 -0.091 5.749 1.00 34.23 H new ATOM 0 HA LEU A 77 -10.091 1.722 4.289 1.00 21.42 H new ATOM 0 HB2 LEU A 77 -10.602 -1.028 5.479 1.00 60.33 H new ATOM 0 HB3 LEU A 77 -11.601 -0.212 4.293 1.00 60.33 H new ATOM 0 HG LEU A 77 -8.673 -0.781 3.709 1.00 50.13 H new ATOM 0 HD11 LEU A 77 -9.413 -2.910 2.673 1.00 1.13 H new ATOM 0 HD12 LEU A 77 -9.721 -2.893 4.426 1.00 1.13 H new ATOM 0 HD13 LEU A 77 -11.060 -2.626 3.285 1.00 1.13 H new ATOM 0 HD21 LEU A 77 -9.328 -0.754 1.393 1.00 41.01 H new ATOM 0 HD22 LEU A 77 -10.999 -0.362 1.863 1.00 41.01 H new ATOM 0 HD23 LEU A 77 -9.684 0.781 2.220 1.00 41.01 H new ATOM 1263 N SER A 78 -10.780 1.062 7.457 1.00 54.35 N ATOM 1264 CA SER A 78 -11.505 1.465 8.666 1.00 20.35 C ATOM 1265 C SER A 78 -11.260 2.937 9.017 1.00 10.11 C ATOM 1266 O SER A 78 -12.110 3.586 9.629 1.00 43.22 O ATOM 1267 CB SER A 78 -11.086 0.524 9.810 1.00 55.10 C ATOM 1268 OG SER A 78 -11.940 0.563 10.937 1.00 74.21 O ATOM 0 H SER A 78 -10.142 0.286 7.634 1.00 54.35 H new ATOM 0 HA SER A 78 -12.578 1.379 8.495 1.00 20.35 H new ATOM 0 HB2 SER A 78 -11.051 -0.497 9.431 1.00 55.10 H new ATOM 0 HB3 SER A 78 -10.075 0.782 10.125 1.00 55.10 H new ATOM 0 HG SER A 78 -11.611 -0.060 11.618 1.00 74.21 H new ATOM 1274 N CYS A 79 -10.136 3.501 8.572 1.00 44.22 N ATOM 1275 CA CYS A 79 -9.773 4.886 8.815 1.00 64.34 C ATOM 1276 C CYS A 79 -10.614 5.826 7.936 1.00 11.44 C ATOM 1277 O CYS A 79 -10.622 7.014 8.231 1.00 61.13 O ATOM 1278 CB CYS A 79 -8.263 5.007 8.537 1.00 55.23 C ATOM 1279 SG CYS A 79 -7.521 6.594 9.013 1.00 24.05 S ATOM 0 H CYS A 79 -9.443 2.993 8.023 1.00 44.22 H new ATOM 0 HA CYS A 79 -9.978 5.181 9.844 1.00 64.34 H new ATOM 0 HB2 CYS A 79 -7.746 4.207 9.067 1.00 55.23 H new ATOM 0 HB3 CYS A 79 -8.091 4.847 7.473 1.00 55.23 H new ATOM 0 HG CYS A 79 -6.251 6.580 8.735 1.00 24.05 H new ATOM 1285 N GLN A 80 -11.316 5.307 6.912 1.00 51.52 N ATOM 1286 CA GLN A 80 -12.203 5.947 5.924 1.00 61.30 C ATOM 1287 C GLN A 80 -12.575 7.403 6.228 1.00 41.23 C ATOM 1288 O GLN A 80 -13.684 7.688 6.686 1.00 35.55 O ATOM 1289 CB GLN A 80 -13.468 5.092 5.693 1.00 61.03 C ATOM 1290 CG GLN A 80 -14.171 4.588 6.967 1.00 21.43 C ATOM 1291 CD GLN A 80 -15.616 4.173 6.707 1.00 52.13 C ATOM 1292 OE1 GLN A 80 -16.016 3.040 6.967 1.00 15.10 O ATOM 1293 NE2 GLN A 80 -16.453 5.079 6.229 1.00 13.52 N ATOM 0 H GLN A 80 -11.268 4.303 6.737 1.00 51.52 H new ATOM 0 HA GLN A 80 -11.616 5.996 5.007 1.00 61.30 H new ATOM 0 HB2 GLN A 80 -14.181 5.679 5.114 1.00 61.03 H new ATOM 0 HB3 GLN A 80 -13.196 4.230 5.084 1.00 61.03 H new ATOM 0 HG2 GLN A 80 -13.619 3.740 7.372 1.00 21.43 H new ATOM 0 HG3 GLN A 80 -14.151 5.372 7.724 1.00 21.43 H new ATOM 0 HE21 GLN A 80 -16.119 6.019 6.014 1.00 13.52 H new ATOM 0 HE22 GLN A 80 -17.432 4.838 6.076 1.00 13.52 H new ATOM 1302 N LYS A 81 -11.635 8.327 6.016 1.00 61.31 N ATOM 1303 CA LYS A 81 -11.807 9.744 6.247 1.00 23.24 C ATOM 1304 C LYS A 81 -11.253 10.544 5.077 1.00 1.45 C ATOM 1305 O LYS A 81 -10.074 10.380 4.742 1.00 54.13 O ATOM 1306 CB LYS A 81 -11.215 10.188 7.592 1.00 42.34 C ATOM 1307 CG LYS A 81 -9.684 10.106 7.712 1.00 31.11 C ATOM 1308 CD LYS A 81 -9.211 10.347 9.147 1.00 23.12 C ATOM 1309 CE LYS A 81 -9.670 9.219 10.074 1.00 74.22 C ATOM 1310 NZ LYS A 81 -9.262 9.462 11.462 1.00 15.32 N ATOM 0 H LYS A 81 -10.706 8.091 5.667 1.00 61.31 H new ATOM 0 HA LYS A 81 -12.876 9.947 6.312 1.00 23.24 H new ATOM 0 HB2 LYS A 81 -11.520 11.218 7.779 1.00 42.34 H new ATOM 0 HB3 LYS A 81 -11.655 9.577 8.380 1.00 42.34 H new ATOM 0 HG2 LYS A 81 -9.346 9.125 7.378 1.00 31.11 H new ATOM 0 HG3 LYS A 81 -9.228 10.843 7.051 1.00 31.11 H new ATOM 0 HD2 LYS A 81 -8.124 10.419 9.168 1.00 23.12 H new ATOM 0 HD3 LYS A 81 -9.601 11.299 9.507 1.00 23.12 H new ATOM 0 HE2 LYS A 81 -10.755 9.125 10.024 1.00 74.22 H new ATOM 0 HE3 LYS A 81 -9.252 8.273 9.731 1.00 74.22 H new ATOM 0 HZ1 LYS A 81 -9.589 8.678 12.062 1.00 15.32 H new ATOM 0 HZ2 LYS A 81 -8.225 9.527 11.513 1.00 15.32 H new ATOM 0 HZ3 LYS A 81 -9.682 10.353 11.796 1.00 15.32 H new ATOM 1324 N PRO A 82 -12.076 11.347 4.403 1.00 13.15 N ATOM 1325 CA PRO A 82 -11.633 12.196 3.321 1.00 13.21 C ATOM 1326 C PRO A 82 -10.823 13.330 3.979 1.00 71.05 C ATOM 1327 O PRO A 82 -10.711 13.400 5.207 1.00 52.52 O ATOM 1328 CB PRO A 82 -12.918 12.681 2.654 1.00 65.15 C ATOM 1329 CG PRO A 82 -13.931 12.693 3.790 1.00 50.02 C ATOM 1330 CD PRO A 82 -13.462 11.578 4.719 1.00 61.12 C ATOM 0 HA PRO A 82 -11.000 11.723 2.570 1.00 13.21 H new ATOM 0 HB2 PRO A 82 -12.793 13.672 2.218 1.00 65.15 H new ATOM 0 HB3 PRO A 82 -13.227 12.015 1.849 1.00 65.15 H new ATOM 0 HG2 PRO A 82 -13.947 13.656 4.300 1.00 50.02 H new ATOM 0 HG3 PRO A 82 -14.941 12.509 3.425 1.00 50.02 H new ATOM 0 HD2 PRO A 82 -13.580 11.866 5.764 1.00 61.12 H new ATOM 0 HD3 PRO A 82 -14.051 10.673 4.569 1.00 61.12 H new ATOM 1338 N ASP A 83 -10.278 14.240 3.178 1.00 24.22 N ATOM 1339 CA ASP A 83 -9.491 15.375 3.681 1.00 22.33 C ATOM 1340 C ASP A 83 -8.314 14.939 4.568 1.00 45.23 C ATOM 1341 O ASP A 83 -8.252 15.261 5.755 1.00 44.51 O ATOM 1342 CB ASP A 83 -10.403 16.401 4.371 1.00 2.31 C ATOM 1343 CG ASP A 83 -9.629 17.649 4.778 1.00 11.41 C ATOM 1344 OD1 ASP A 83 -9.749 18.086 5.943 1.00 11.24 O ATOM 1345 OD2 ASP A 83 -9.044 18.281 3.868 1.00 20.31 O ATOM 0 H ASP A 83 -10.366 14.217 2.162 1.00 24.22 H new ATOM 0 HA ASP A 83 -9.034 15.863 2.820 1.00 22.33 H new ATOM 0 HB2 ASP A 83 -11.215 16.678 3.699 1.00 2.31 H new ATOM 0 HB3 ASP A 83 -10.859 15.950 5.253 1.00 2.31 H new ATOM 1350 N THR A 84 -7.369 14.191 3.988 1.00 24.12 N ATOM 1351 CA THR A 84 -6.179 13.716 4.700 1.00 50.30 C ATOM 1352 C THR A 84 -4.870 14.089 3.985 1.00 23.13 C ATOM 1353 O THR A 84 -3.816 14.025 4.621 1.00 11.23 O ATOM 1354 CB THR A 84 -6.339 12.210 4.984 1.00 2.25 C ATOM 1355 OG1 THR A 84 -5.711 11.812 6.183 1.00 1.13 O ATOM 1356 CG2 THR A 84 -5.783 11.332 3.861 1.00 12.53 C ATOM 0 H THR A 84 -7.408 13.898 3.012 1.00 24.12 H new ATOM 0 HA THR A 84 -6.099 14.229 5.658 1.00 50.30 H new ATOM 0 HB THR A 84 -7.417 12.067 5.065 1.00 2.25 H new ATOM 0 HG1 THR A 84 -5.843 10.850 6.318 1.00 1.13 H new ATOM 0 HG21 THR A 84 -5.924 10.282 4.117 1.00 12.53 H new ATOM 0 HG22 THR A 84 -6.309 11.553 2.932 1.00 12.53 H new ATOM 0 HG23 THR A 84 -4.720 11.535 3.733 1.00 12.53 H new ATOM 1364 N ALA A 85 -4.924 14.503 2.707 1.00 43.23 N ATOM 1365 CA ALA A 85 -3.769 14.907 1.889 1.00 42.32 C ATOM 1366 C ALA A 85 -2.793 13.755 1.715 1.00 32.23 C ATOM 1367 O ALA A 85 -1.960 13.465 2.578 1.00 12.43 O ATOM 1368 CB ALA A 85 -3.094 16.177 2.427 1.00 35.51 C ATOM 0 H ALA A 85 -5.805 14.567 2.198 1.00 43.23 H new ATOM 0 HA ALA A 85 -4.141 15.164 0.897 1.00 42.32 H new ATOM 0 HB1 ALA A 85 -2.247 16.436 1.791 1.00 35.51 H new ATOM 0 HB2 ALA A 85 -3.811 16.998 2.428 1.00 35.51 H new ATOM 0 HB3 ALA A 85 -2.743 16.000 3.444 1.00 35.51 H new ATOM 1374 N ARG A 86 -2.971 13.014 0.622 1.00 4.33 N ATOM 1375 CA ARG A 86 -2.098 11.883 0.346 1.00 72.35 C ATOM 1376 C ARG A 86 -0.717 12.436 -0.027 1.00 1.04 C ATOM 1377 O ARG A 86 -0.551 13.633 -0.268 1.00 0.44 O ATOM 1378 CB ARG A 86 -2.700 10.975 -0.740 1.00 31.44 C ATOM 1379 CG ARG A 86 -4.198 10.679 -0.558 1.00 62.33 C ATOM 1380 CD ARG A 86 -4.723 9.814 -1.701 1.00 61.51 C ATOM 1381 NE ARG A 86 -4.815 10.553 -2.974 1.00 11.32 N ATOM 1382 CZ ARG A 86 -5.204 10.004 -4.131 1.00 43.42 C ATOM 1383 NH1 ARG A 86 -5.495 8.710 -4.192 1.00 61.41 N ATOM 1384 NH2 ARG A 86 -5.314 10.728 -5.235 1.00 44.41 N ATOM 0 H ARG A 86 -3.699 13.175 -0.074 1.00 4.33 H new ATOM 0 HA ARG A 86 -1.993 11.249 1.226 1.00 72.35 H new ATOM 0 HB2 ARG A 86 -2.550 11.443 -1.713 1.00 31.44 H new ATOM 0 HB3 ARG A 86 -2.154 10.032 -0.752 1.00 31.44 H new ATOM 0 HG2 ARG A 86 -4.360 10.171 0.393 1.00 62.33 H new ATOM 0 HG3 ARG A 86 -4.756 11.615 -0.518 1.00 62.33 H new ATOM 0 HD2 ARG A 86 -4.067 8.953 -1.831 1.00 61.51 H new ATOM 0 HD3 ARG A 86 -5.708 9.428 -1.437 1.00 61.51 H new ATOM 0 HE ARG A 86 -4.567 11.542 -2.973 1.00 11.32 H new ATOM 0 HH11 ARG A 86 -5.422 8.131 -3.355 1.00 61.41 H new ATOM 0 HH12 ARG A 86 -5.791 8.295 -5.075 1.00 61.41 H new ATOM 0 HH21 ARG A 86 -5.100 11.725 -5.214 1.00 44.41 H new ATOM 0 HH22 ARG A 86 -5.612 10.288 -6.106 1.00 44.41 H new ATOM 1398 N VAL A 87 0.272 11.556 -0.093 1.00 20.24 N ATOM 1399 CA VAL A 87 1.650 11.885 -0.420 1.00 4.03 C ATOM 1400 C VAL A 87 2.229 10.779 -1.302 1.00 14.21 C ATOM 1401 O VAL A 87 1.694 9.661 -1.334 1.00 40.41 O ATOM 1402 CB VAL A 87 2.482 12.090 0.870 1.00 44.24 C ATOM 1403 CG1 VAL A 87 2.178 13.423 1.567 1.00 20.01 C ATOM 1404 CG2 VAL A 87 2.276 10.963 1.893 1.00 31.44 C ATOM 0 H VAL A 87 0.132 10.562 0.086 1.00 20.24 H new ATOM 0 HA VAL A 87 1.686 12.824 -0.972 1.00 4.03 H new ATOM 0 HB VAL A 87 3.517 12.087 0.528 1.00 44.24 H new ATOM 0 HG11 VAL A 87 2.790 13.512 2.465 1.00 20.01 H new ATOM 0 HG12 VAL A 87 2.404 14.247 0.890 1.00 20.01 H new ATOM 0 HG13 VAL A 87 1.124 13.458 1.842 1.00 20.01 H new ATOM 0 HG21 VAL A 87 2.883 11.159 2.777 1.00 31.44 H new ATOM 0 HG22 VAL A 87 1.225 10.918 2.178 1.00 31.44 H new ATOM 0 HG23 VAL A 87 2.574 10.012 1.451 1.00 31.44 H new ATOM 1414 N ASP A 88 3.267 11.117 -2.060 1.00 41.45 N ATOM 1415 CA ASP A 88 3.993 10.233 -2.969 1.00 74.43 C ATOM 1416 C ASP A 88 5.264 9.676 -2.311 1.00 23.23 C ATOM 1417 O ASP A 88 5.499 9.872 -1.116 1.00 40.54 O ATOM 1418 CB ASP A 88 4.274 10.962 -4.293 1.00 43.24 C ATOM 1419 CG ASP A 88 5.533 11.827 -4.283 1.00 5.54 C ATOM 1420 OD1 ASP A 88 6.096 12.046 -5.377 1.00 34.41 O ATOM 1421 OD2 ASP A 88 5.968 12.278 -3.202 1.00 73.24 O ATOM 0 H ASP A 88 3.645 12.064 -2.058 1.00 41.45 H new ATOM 0 HA ASP A 88 3.372 9.367 -3.198 1.00 74.43 H new ATOM 0 HB2 ASP A 88 4.362 10.223 -5.089 1.00 43.24 H new ATOM 0 HB3 ASP A 88 3.418 11.591 -4.536 1.00 43.24 H new ATOM 1426 N ILE A 89 6.080 8.951 -3.083 1.00 64.41 N ATOM 1427 CA ILE A 89 7.339 8.350 -2.631 1.00 50.11 C ATOM 1428 C ILE A 89 8.358 9.393 -2.164 1.00 23.35 C ATOM 1429 O ILE A 89 9.233 9.083 -1.351 1.00 71.11 O ATOM 1430 CB ILE A 89 7.966 7.500 -3.762 1.00 2.12 C ATOM 1431 CG1 ILE A 89 7.884 8.164 -5.159 1.00 63.20 C ATOM 1432 CG2 ILE A 89 7.305 6.120 -3.791 1.00 64.33 C ATOM 1433 CD1 ILE A 89 8.793 7.504 -6.199 1.00 64.03 C ATOM 0 H ILE A 89 5.878 8.761 -4.065 1.00 64.41 H new ATOM 0 HA ILE A 89 7.092 7.720 -1.777 1.00 50.11 H new ATOM 0 HB ILE A 89 9.028 7.409 -3.535 1.00 2.12 H new ATOM 0 HG12 ILE A 89 6.853 8.126 -5.511 1.00 63.20 H new ATOM 0 HG13 ILE A 89 8.151 9.217 -5.069 1.00 63.20 H new ATOM 0 HG21 ILE A 89 7.747 5.522 -4.588 1.00 64.33 H new ATOM 0 HG22 ILE A 89 7.461 5.622 -2.834 1.00 64.33 H new ATOM 0 HG23 ILE A 89 6.236 6.232 -3.972 1.00 64.33 H new ATOM 0 HD11 ILE A 89 8.686 8.018 -7.154 1.00 64.03 H new ATOM 0 HD12 ILE A 89 9.830 7.565 -5.868 1.00 64.03 H new ATOM 0 HD13 ILE A 89 8.511 6.458 -6.317 1.00 64.03 H new ATOM 1445 N TYR A 90 8.295 10.602 -2.716 1.00 4.10 N ATOM 1446 CA TYR A 90 9.173 11.704 -2.373 1.00 12.31 C ATOM 1447 C TYR A 90 8.605 12.444 -1.154 1.00 61.40 C ATOM 1448 O TYR A 90 9.299 13.269 -0.567 1.00 4.40 O ATOM 1449 CB TYR A 90 9.270 12.664 -3.570 1.00 3.14 C ATOM 1450 CG TYR A 90 9.638 12.084 -4.934 1.00 23.44 C ATOM 1451 CD1 TYR A 90 10.430 10.922 -5.074 1.00 74.21 C ATOM 1452 CD2 TYR A 90 9.195 12.750 -6.093 1.00 3.23 C ATOM 1453 CE1 TYR A 90 10.812 10.474 -6.353 1.00 35.24 C ATOM 1454 CE2 TYR A 90 9.553 12.296 -7.372 1.00 21.21 C ATOM 1455 CZ TYR A 90 10.372 11.156 -7.508 1.00 51.05 C ATOM 1456 OH TYR A 90 10.724 10.717 -8.746 1.00 65.01 O ATOM 0 H TYR A 90 7.611 10.843 -3.433 1.00 4.10 H new ATOM 0 HA TYR A 90 10.167 11.327 -2.132 1.00 12.31 H new ATOM 0 HB2 TYR A 90 8.309 13.168 -3.671 1.00 3.14 H new ATOM 0 HB3 TYR A 90 10.007 13.429 -3.324 1.00 3.14 H new ATOM 0 HD1 TYR A 90 10.743 10.376 -4.197 1.00 74.21 H new ATOM 0 HD2 TYR A 90 8.569 13.625 -5.996 1.00 3.23 H new ATOM 0 HE1 TYR A 90 11.445 9.604 -6.451 1.00 35.24 H new ATOM 0 HE2 TYR A 90 9.202 12.818 -8.250 1.00 21.21 H new ATOM 0 HH TYR A 90 10.332 11.305 -9.425 1.00 65.01 H new ATOM 1466 N GLY A 91 7.379 12.131 -0.730 1.00 61.54 N ATOM 1467 CA GLY A 91 6.691 12.739 0.389 1.00 44.21 C ATOM 1468 C GLY A 91 5.994 14.035 -0.007 1.00 15.45 C ATOM 1469 O GLY A 91 5.521 14.732 0.894 1.00 25.12 O ATOM 0 H GLY A 91 6.820 11.410 -1.186 1.00 61.54 H new ATOM 0 HA2 GLY A 91 5.956 12.039 0.787 1.00 44.21 H new ATOM 0 HA3 GLY A 91 7.405 12.940 1.188 1.00 44.21 H new ATOM 1473 N ASN A 92 5.998 14.442 -1.286 1.00 33.32 N ATOM 1474 CA ASN A 92 5.322 15.667 -1.676 1.00 52.33 C ATOM 1475 C ASN A 92 3.829 15.442 -1.546 1.00 3.51 C ATOM 1476 O ASN A 92 3.323 14.327 -1.690 1.00 20.10 O ATOM 1477 CB ASN A 92 5.672 16.183 -3.074 1.00 11.41 C ATOM 1478 CG ASN A 92 5.377 15.241 -4.219 1.00 1.43 C ATOM 1479 OD1 ASN A 92 4.234 15.031 -4.610 1.00 4.12 O ATOM 1480 ND2 ASN A 92 6.424 14.736 -4.841 1.00 25.24 N ATOM 0 H ASN A 92 6.456 13.943 -2.049 1.00 33.32 H new ATOM 0 HA ASN A 92 5.671 16.452 -1.006 1.00 52.33 H new ATOM 0 HB2 ASN A 92 5.128 17.112 -3.244 1.00 11.41 H new ATOM 0 HB3 ASN A 92 6.734 16.427 -3.095 1.00 11.41 H new ATOM 0 HD21 ASN A 92 6.294 14.155 -5.669 1.00 25.24 H new ATOM 0 HD22 ASN A 92 7.364 14.927 -4.494 1.00 25.24 H new ATOM 1487 N GLU A 93 3.136 16.531 -1.242 1.00 43.30 N ATOM 1488 CA GLU A 93 1.716 16.532 -1.055 1.00 1.31 C ATOM 1489 C GLU A 93 0.969 16.487 -2.378 1.00 34.14 C ATOM 1490 O GLU A 93 1.295 17.148 -3.368 1.00 34.30 O ATOM 1491 CB GLU A 93 1.364 17.773 -0.239 1.00 50.05 C ATOM 1492 CG GLU A 93 1.497 17.455 1.252 1.00 61.33 C ATOM 1493 CD GLU A 93 1.242 18.701 2.089 1.00 65.23 C ATOM 1494 OE1 GLU A 93 0.065 19.090 2.246 1.00 73.34 O ATOM 1495 OE2 GLU A 93 2.217 19.261 2.639 1.00 42.35 O ATOM 0 H GLU A 93 3.565 17.448 -1.119 1.00 43.30 H new ATOM 0 HA GLU A 93 1.407 15.634 -0.520 1.00 1.31 H new ATOM 0 HB2 GLU A 93 2.025 18.597 -0.507 1.00 50.05 H new ATOM 0 HB3 GLU A 93 0.347 18.094 -0.464 1.00 50.05 H new ATOM 0 HG2 GLU A 93 0.789 16.674 1.528 1.00 61.33 H new ATOM 0 HG3 GLU A 93 2.495 17.068 1.460 1.00 61.33 H new ATOM 1502 N VAL A 94 -0.083 15.694 -2.349 1.00 70.30 N ATOM 1503 CA VAL A 94 -1.031 15.423 -3.402 1.00 52.02 C ATOM 1504 C VAL A 94 -2.416 15.746 -2.817 1.00 0.31 C ATOM 1505 O VAL A 94 -2.521 16.143 -1.647 1.00 23.34 O ATOM 1506 CB VAL A 94 -0.741 14.121 -4.175 1.00 75.24 C ATOM 1507 CG1 VAL A 94 0.736 14.063 -4.635 1.00 74.14 C ATOM 1508 CG2 VAL A 94 -1.082 12.876 -3.369 1.00 41.01 C ATOM 0 H VAL A 94 -0.315 15.174 -1.503 1.00 70.30 H new ATOM 0 HA VAL A 94 -0.951 16.066 -4.279 1.00 52.02 H new ATOM 0 HB VAL A 94 -1.388 14.134 -5.052 1.00 75.24 H new ATOM 0 HG11 VAL A 94 0.912 13.134 -5.177 1.00 74.14 H new ATOM 0 HG12 VAL A 94 0.947 14.910 -5.288 1.00 74.14 H new ATOM 0 HG13 VAL A 94 1.390 14.104 -3.764 1.00 74.14 H new ATOM 0 HG21 VAL A 94 -0.859 11.988 -3.960 1.00 41.01 H new ATOM 0 HG22 VAL A 94 -0.490 12.861 -2.454 1.00 41.01 H new ATOM 0 HG23 VAL A 94 -2.142 12.886 -3.115 1.00 41.01 H new ATOM 1518 N ASP A 95 -3.496 15.561 -3.568 1.00 63.14 N ATOM 1519 CA ASP A 95 -4.812 15.953 -3.080 1.00 35.25 C ATOM 1520 C ASP A 95 -5.344 14.948 -2.057 1.00 73.22 C ATOM 1521 O ASP A 95 -4.696 13.955 -1.690 1.00 15.13 O ATOM 1522 CB ASP A 95 -5.844 16.001 -4.236 1.00 70.23 C ATOM 1523 CG ASP A 95 -5.317 16.438 -5.596 1.00 65.30 C ATOM 1524 OD1 ASP A 95 -5.787 17.456 -6.152 1.00 23.23 O ATOM 1525 OD2 ASP A 95 -4.521 15.669 -6.182 1.00 15.41 O ATOM 0 H ASP A 95 -3.488 15.149 -4.501 1.00 63.14 H new ATOM 0 HA ASP A 95 -4.691 16.937 -2.627 1.00 35.25 H new ATOM 0 HB2 ASP A 95 -6.284 15.009 -4.343 1.00 70.23 H new ATOM 0 HB3 ASP A 95 -6.649 16.678 -3.948 1.00 70.23 H new ATOM 1530 N VAL A 96 -6.589 15.164 -1.643 1.00 12.22 N ATOM 1531 CA VAL A 96 -7.232 14.373 -0.618 1.00 12.42 C ATOM 1532 C VAL A 96 -8.324 13.515 -1.228 1.00 44.31 C ATOM 1533 O VAL A 96 -8.782 13.752 -2.350 1.00 64.02 O ATOM 1534 CB VAL A 96 -7.823 15.337 0.442 1.00 41.22 C ATOM 1535 CG1 VAL A 96 -6.925 16.531 0.791 1.00 3.32 C ATOM 1536 CG2 VAL A 96 -9.164 15.972 0.036 1.00 34.04 C ATOM 0 H VAL A 96 -7.181 15.905 -2.020 1.00 12.22 H new ATOM 0 HA VAL A 96 -6.508 13.708 -0.147 1.00 12.42 H new ATOM 0 HB VAL A 96 -7.935 14.665 1.293 1.00 41.22 H new ATOM 0 HG11 VAL A 96 -7.418 17.151 1.540 1.00 3.32 H new ATOM 0 HG12 VAL A 96 -5.976 16.169 1.188 1.00 3.32 H new ATOM 0 HG13 VAL A 96 -6.741 17.123 -0.106 1.00 3.32 H new ATOM 0 HG21 VAL A 96 -9.509 16.632 0.831 1.00 34.04 H new ATOM 0 HG22 VAL A 96 -9.032 16.546 -0.881 1.00 34.04 H new ATOM 0 HG23 VAL A 96 -9.902 15.188 -0.131 1.00 34.04 H new ATOM 1546 N VAL A 97 -8.688 12.471 -0.491 1.00 53.12 N ATOM 1547 CA VAL A 97 -9.723 11.554 -0.973 1.00 41.51 C ATOM 1548 C VAL A 97 -11.085 12.254 -0.871 1.00 5.25 C ATOM 1549 O VAL A 97 -11.301 13.066 0.036 1.00 53.11 O ATOM 1550 CB VAL A 97 -9.655 10.200 -0.232 1.00 45.22 C ATOM 1551 CG1 VAL A 97 -10.594 9.145 -0.833 1.00 65.24 C ATOM 1552 CG2 VAL A 97 -8.226 9.625 -0.298 1.00 31.22 C ATOM 0 H VAL A 97 -8.295 12.239 0.421 1.00 53.12 H new ATOM 0 HA VAL A 97 -9.559 11.307 -2.022 1.00 41.51 H new ATOM 0 HB VAL A 97 -9.959 10.406 0.794 1.00 45.22 H new ATOM 0 HG11 VAL A 97 -10.503 8.215 -0.272 1.00 65.24 H new ATOM 0 HG12 VAL A 97 -11.623 9.501 -0.781 1.00 65.24 H new ATOM 0 HG13 VAL A 97 -10.324 8.968 -1.874 1.00 65.24 H new ATOM 0 HG21 VAL A 97 -8.193 8.671 0.228 1.00 31.22 H new ATOM 0 HG22 VAL A 97 -7.942 9.475 -1.340 1.00 31.22 H new ATOM 0 HG23 VAL A 97 -7.531 10.322 0.171 1.00 31.22 H new ATOM 1562 N THR A 98 -11.982 12.011 -1.826 1.00 75.34 N ATOM 1563 CA THR A 98 -13.318 12.602 -1.818 1.00 33.25 C ATOM 1564 C THR A 98 -14.172 11.879 -0.769 1.00 72.34 C ATOM 1565 O THR A 98 -13.874 10.729 -0.440 1.00 0.24 O ATOM 1566 CB THR A 98 -13.934 12.521 -3.224 1.00 63.13 C ATOM 1567 OG1 THR A 98 -13.841 11.210 -3.750 1.00 70.14 O ATOM 1568 CG2 THR A 98 -13.245 13.519 -4.156 1.00 25.34 C ATOM 0 H THR A 98 -11.803 11.401 -2.624 1.00 75.34 H new ATOM 0 HA THR A 98 -13.269 13.657 -1.550 1.00 33.25 H new ATOM 0 HB THR A 98 -14.991 12.776 -3.148 1.00 63.13 H new ATOM 0 HG1 THR A 98 -14.242 11.187 -4.644 1.00 70.14 H new ATOM 0 HG21 THR A 98 -13.688 13.454 -5.150 1.00 25.34 H new ATOM 0 HG22 THR A 98 -13.373 14.529 -3.766 1.00 25.34 H new ATOM 0 HG23 THR A 98 -12.182 13.286 -4.217 1.00 25.34 H new ATOM 1576 N PRO A 99 -15.260 12.477 -0.250 1.00 24.53 N ATOM 1577 CA PRO A 99 -16.095 11.806 0.745 1.00 74.52 C ATOM 1578 C PRO A 99 -16.731 10.540 0.164 1.00 33.23 C ATOM 1579 O PRO A 99 -16.959 9.564 0.879 1.00 50.34 O ATOM 1580 CB PRO A 99 -17.132 12.849 1.176 1.00 23.52 C ATOM 1581 CG PRO A 99 -17.188 13.830 0.005 1.00 45.33 C ATOM 1582 CD PRO A 99 -15.756 13.815 -0.531 1.00 71.52 C ATOM 0 HA PRO A 99 -15.520 11.461 1.604 1.00 74.52 H new ATOM 0 HB2 PRO A 99 -18.104 12.392 1.359 1.00 23.52 H new ATOM 0 HB3 PRO A 99 -16.835 13.347 2.099 1.00 23.52 H new ATOM 0 HG2 PRO A 99 -17.905 13.513 -0.752 1.00 45.33 H new ATOM 0 HG3 PRO A 99 -17.487 14.827 0.329 1.00 45.33 H new ATOM 0 HD2 PRO A 99 -15.733 14.028 -1.600 1.00 71.52 H new ATOM 0 HD3 PRO A 99 -15.144 14.573 -0.042 1.00 71.52 H new ATOM 1590 N GLU A 100 -16.986 10.553 -1.143 1.00 55.51 N ATOM 1591 CA GLU A 100 -17.577 9.470 -1.896 1.00 61.45 C ATOM 1592 C GLU A 100 -16.639 8.273 -1.931 1.00 22.32 C ATOM 1593 O GLU A 100 -17.062 7.143 -1.700 1.00 32.25 O ATOM 1594 CB GLU A 100 -17.814 9.956 -3.328 1.00 65.04 C ATOM 1595 CG GLU A 100 -19.143 10.692 -3.448 1.00 13.42 C ATOM 1596 CD GLU A 100 -20.336 9.740 -3.442 1.00 21.34 C ATOM 1597 OE1 GLU A 100 -20.457 8.914 -4.381 1.00 11.01 O ATOM 1598 OE2 GLU A 100 -21.168 9.842 -2.515 1.00 3.42 O ATOM 0 H GLU A 100 -16.772 11.363 -1.726 1.00 55.51 H new ATOM 0 HA GLU A 100 -18.513 9.169 -1.426 1.00 61.45 H new ATOM 0 HB2 GLU A 100 -17.001 10.617 -3.630 1.00 65.04 H new ATOM 0 HB3 GLU A 100 -17.804 9.106 -4.010 1.00 65.04 H new ATOM 0 HG2 GLU A 100 -19.240 11.398 -2.623 1.00 13.42 H new ATOM 0 HG3 GLU A 100 -19.151 11.275 -4.369 1.00 13.42 H new ATOM 1605 N GLN A 101 -15.370 8.498 -2.267 1.00 73.41 N ATOM 1606 CA GLN A 101 -14.403 7.420 -2.343 1.00 73.41 C ATOM 1607 C GLN A 101 -13.905 7.015 -0.952 1.00 64.12 C ATOM 1608 O GLN A 101 -13.645 5.834 -0.727 1.00 64.35 O ATOM 1609 CB GLN A 101 -13.304 7.788 -3.336 1.00 62.31 C ATOM 1610 CG GLN A 101 -13.907 7.943 -4.750 1.00 44.34 C ATOM 1611 CD GLN A 101 -12.872 8.110 -5.858 1.00 15.43 C ATOM 1612 OE1 GLN A 101 -11.739 8.518 -5.629 1.00 33.12 O ATOM 1613 NE2 GLN A 101 -13.232 7.809 -7.091 1.00 34.41 N ATOM 0 H GLN A 101 -14.994 9.419 -2.490 1.00 73.41 H new ATOM 0 HA GLN A 101 -14.877 6.518 -2.731 1.00 73.41 H new ATOM 0 HB2 GLN A 101 -12.823 8.718 -3.032 1.00 62.31 H new ATOM 0 HB3 GLN A 101 -12.533 7.017 -3.342 1.00 62.31 H new ATOM 0 HG2 GLN A 101 -14.519 7.068 -4.969 1.00 44.34 H new ATOM 0 HG3 GLN A 101 -14.572 8.807 -4.756 1.00 44.34 H new ATOM 0 HE21 GLN A 101 -14.175 7.470 -7.278 1.00 34.41 H new ATOM 0 HE22 GLN A 101 -12.567 7.916 -7.857 1.00 34.41 H new ATOM 1622 N ALA A 102 -13.839 7.954 0.001 1.00 64.13 N ATOM 1623 CA ALA A 102 -13.393 7.679 1.360 1.00 10.32 C ATOM 1624 C ALA A 102 -14.360 6.690 2.015 1.00 75.51 C ATOM 1625 O ALA A 102 -13.927 5.648 2.505 1.00 30.43 O ATOM 1626 CB ALA A 102 -13.285 8.986 2.170 1.00 42.44 C ATOM 0 H ALA A 102 -14.096 8.928 -0.157 1.00 64.13 H new ATOM 0 HA ALA A 102 -12.399 7.232 1.337 1.00 10.32 H new ATOM 0 HB1 ALA A 102 -12.950 8.760 3.182 1.00 42.44 H new ATOM 0 HB2 ALA A 102 -12.568 9.653 1.691 1.00 42.44 H new ATOM 0 HB3 ALA A 102 -14.260 9.471 2.210 1.00 42.44 H new ATOM 1632 N LYS A 103 -15.676 6.941 1.954 1.00 24.20 N ATOM 1633 CA LYS A 103 -16.655 6.030 2.552 1.00 35.45 C ATOM 1634 C LYS A 103 -16.688 4.689 1.828 1.00 23.01 C ATOM 1635 O LYS A 103 -16.993 3.677 2.456 1.00 50.25 O ATOM 1636 CB LYS A 103 -18.053 6.672 2.623 1.00 24.24 C ATOM 1637 CG LYS A 103 -18.790 6.729 1.272 1.00 21.54 C ATOM 1638 CD LYS A 103 -20.133 7.460 1.338 1.00 32.22 C ATOM 1639 CE LYS A 103 -21.169 6.667 2.146 1.00 3.12 C ATOM 1640 NZ LYS A 103 -22.390 7.448 2.435 1.00 73.42 N ATOM 0 H LYS A 103 -16.081 7.760 1.501 1.00 24.20 H new ATOM 0 HA LYS A 103 -16.336 5.835 3.576 1.00 35.45 H new ATOM 0 HB2 LYS A 103 -18.662 6.113 3.333 1.00 24.24 H new ATOM 0 HB3 LYS A 103 -17.956 7.685 3.015 1.00 24.24 H new ATOM 0 HG2 LYS A 103 -18.152 7.224 0.540 1.00 21.54 H new ATOM 0 HG3 LYS A 103 -18.956 5.713 0.915 1.00 21.54 H new ATOM 0 HD2 LYS A 103 -19.992 8.442 1.790 1.00 32.22 H new ATOM 0 HD3 LYS A 103 -20.508 7.626 0.328 1.00 32.22 H new ATOM 0 HE2 LYS A 103 -21.441 5.767 1.595 1.00 3.12 H new ATOM 0 HE3 LYS A 103 -20.720 6.343 3.085 1.00 3.12 H new ATOM 0 HZ1 LYS A 103 -23.054 6.864 2.982 1.00 73.42 H new ATOM 0 HZ2 LYS A 103 -22.139 8.294 2.985 1.00 73.42 H new ATOM 0 HZ3 LYS A 103 -22.837 7.736 1.541 1.00 73.42 H new ATOM 1654 N TYR A 104 -16.398 4.667 0.524 1.00 5.51 N ATOM 1655 CA TYR A 104 -16.374 3.480 -0.320 1.00 53.53 C ATOM 1656 C TYR A 104 -15.386 2.429 0.191 1.00 34.22 C ATOM 1657 O TYR A 104 -15.598 1.242 -0.057 1.00 12.11 O ATOM 1658 CB TYR A 104 -16.123 3.831 -1.794 1.00 14.12 C ATOM 1659 CG TYR A 104 -17.366 3.740 -2.660 1.00 52.03 C ATOM 1660 CD1 TYR A 104 -18.507 4.507 -2.354 1.00 4.20 C ATOM 1661 CD2 TYR A 104 -17.385 2.880 -3.772 1.00 52.15 C ATOM 1662 CE1 TYR A 104 -19.662 4.417 -3.150 1.00 32.43 C ATOM 1663 CE2 TYR A 104 -18.550 2.751 -4.549 1.00 50.54 C ATOM 1664 CZ TYR A 104 -19.690 3.530 -4.250 1.00 34.12 C ATOM 1665 OH TYR A 104 -20.800 3.468 -5.037 1.00 53.13 O ATOM 0 H TYR A 104 -16.164 5.516 0.010 1.00 5.51 H new ATOM 0 HA TYR A 104 -17.367 3.033 -0.262 1.00 53.53 H new ATOM 0 HB2 TYR A 104 -15.721 4.842 -1.855 1.00 14.12 H new ATOM 0 HB3 TYR A 104 -15.362 3.161 -2.194 1.00 14.12 H new ATOM 0 HD1 TYR A 104 -18.494 5.169 -1.501 1.00 4.20 H new ATOM 0 HD2 TYR A 104 -16.501 2.316 -4.031 1.00 52.15 H new ATOM 0 HE1 TYR A 104 -20.526 5.024 -2.922 1.00 32.43 H new ATOM 0 HE2 TYR A 104 -18.573 2.056 -5.375 1.00 50.54 H new ATOM 0 HH TYR A 104 -20.659 2.811 -5.750 1.00 53.13 H new ATOM 1675 N ALA A 105 -14.325 2.833 0.901 1.00 3.04 N ATOM 1676 CA ALA A 105 -13.317 1.930 1.457 1.00 75.31 C ATOM 1677 C ALA A 105 -13.984 0.833 2.303 1.00 31.13 C ATOM 1678 O ALA A 105 -13.494 -0.299 2.323 1.00 24.10 O ATOM 1679 CB ALA A 105 -12.356 2.759 2.307 1.00 45.12 C ATOM 0 H ALA A 105 -14.142 3.815 1.107 1.00 3.04 H new ATOM 0 HA ALA A 105 -12.771 1.436 0.653 1.00 75.31 H new ATOM 0 HB1 ALA A 105 -11.593 2.108 2.734 1.00 45.12 H new ATOM 0 HB2 ALA A 105 -11.880 3.516 1.684 1.00 45.12 H new ATOM 0 HB3 ALA A 105 -12.908 3.246 3.111 1.00 45.12 H new ATOM 1685 N TYR A 106 -15.136 1.124 2.916 1.00 30.41 N ATOM 1686 CA TYR A 106 -15.877 0.171 3.726 1.00 4.24 C ATOM 1687 C TYR A 106 -16.227 -1.106 2.958 1.00 71.43 C ATOM 1688 O TYR A 106 -16.267 -2.182 3.558 1.00 5.31 O ATOM 1689 CB TYR A 106 -17.145 0.839 4.279 1.00 21.51 C ATOM 1690 CG TYR A 106 -18.423 0.483 3.529 1.00 5.42 C ATOM 1691 CD1 TYR A 106 -18.667 0.962 2.222 1.00 75.11 C ATOM 1692 CD2 TYR A 106 -19.282 -0.479 4.089 1.00 54.02 C ATOM 1693 CE1 TYR A 106 -19.795 0.510 1.506 1.00 13.12 C ATOM 1694 CE2 TYR A 106 -20.382 -0.958 3.365 1.00 31.34 C ATOM 1695 CZ TYR A 106 -20.640 -0.476 2.067 1.00 21.42 C ATOM 1696 OH TYR A 106 -21.639 -1.050 1.342 1.00 51.31 O ATOM 0 H TYR A 106 -15.579 2.041 2.859 1.00 30.41 H new ATOM 0 HA TYR A 106 -15.234 -0.132 4.552 1.00 4.24 H new ATOM 0 HB2 TYR A 106 -17.262 0.558 5.326 1.00 21.51 H new ATOM 0 HB3 TYR A 106 -17.012 1.921 4.253 1.00 21.51 H new ATOM 0 HD1 TYR A 106 -17.990 1.673 1.772 1.00 75.11 H new ATOM 0 HD2 TYR A 106 -19.093 -0.852 5.085 1.00 54.02 H new ATOM 0 HE1 TYR A 106 -20.014 0.917 0.530 1.00 13.12 H new ATOM 0 HE2 TYR A 106 -21.034 -1.699 3.804 1.00 31.34 H new ATOM 0 HH TYR A 106 -22.111 -1.705 1.897 1.00 51.31 H new ATOM 1706 N GLN A 107 -16.450 -1.006 1.639 1.00 53.42 N ATOM 1707 CA GLN A 107 -16.801 -2.138 0.798 1.00 43.24 C ATOM 1708 C GLN A 107 -15.721 -3.203 0.898 1.00 1.23 C ATOM 1709 O GLN A 107 -16.009 -4.394 0.950 1.00 3.43 O ATOM 1710 CB GLN A 107 -16.911 -1.713 -0.679 1.00 14.42 C ATOM 1711 CG GLN A 107 -18.099 -0.793 -0.979 1.00 64.15 C ATOM 1712 CD GLN A 107 -18.352 -0.637 -2.477 1.00 40.22 C ATOM 1713 OE1 GLN A 107 -19.479 -0.811 -2.937 1.00 21.22 O ATOM 1714 NE2 GLN A 107 -17.343 -0.311 -3.271 1.00 4.35 N ATOM 0 H GLN A 107 -16.389 -0.124 1.130 1.00 53.42 H new ATOM 0 HA GLN A 107 -17.761 -2.524 1.140 1.00 43.24 H new ATOM 0 HB2 GLN A 107 -15.991 -1.206 -0.970 1.00 14.42 H new ATOM 0 HB3 GLN A 107 -16.992 -2.607 -1.298 1.00 14.42 H new ATOM 0 HG2 GLN A 107 -18.994 -1.193 -0.502 1.00 64.15 H new ATOM 0 HG3 GLN A 107 -17.915 0.188 -0.540 1.00 64.15 H new ATOM 0 HE21 GLN A 107 -16.412 -0.169 -2.880 1.00 4.35 H new ATOM 0 HE22 GLN A 107 -17.497 -0.202 -4.273 1.00 4.35 H new ATOM 1723 N ARG A 108 -14.469 -2.761 0.897 1.00 31.35 N ATOM 1724 CA ARG A 108 -13.288 -3.599 0.953 1.00 21.24 C ATOM 1725 C ARG A 108 -13.072 -4.157 2.353 1.00 20.05 C ATOM 1726 O ARG A 108 -12.518 -5.250 2.485 1.00 53.02 O ATOM 1727 CB ARG A 108 -12.083 -2.767 0.494 1.00 31.33 C ATOM 1728 CG ARG A 108 -12.365 -1.806 -0.679 1.00 65.44 C ATOM 1729 CD ARG A 108 -12.966 -2.509 -1.908 1.00 13.23 C ATOM 1730 NE ARG A 108 -12.165 -3.648 -2.368 1.00 51.21 N ATOM 1731 CZ ARG A 108 -11.030 -3.609 -3.071 1.00 55.32 C ATOM 1732 NH1 ARG A 108 -10.480 -2.452 -3.424 1.00 12.12 N ATOM 1733 NH2 ARG A 108 -10.455 -4.746 -3.435 1.00 32.25 N ATOM 0 H ARG A 108 -14.245 -1.767 0.855 1.00 31.35 H new ATOM 0 HA ARG A 108 -13.416 -4.456 0.292 1.00 21.24 H new ATOM 0 HB2 ARG A 108 -11.718 -2.186 1.341 1.00 31.33 H new ATOM 0 HB3 ARG A 108 -11.281 -3.446 0.204 1.00 31.33 H new ATOM 0 HG2 ARG A 108 -13.049 -1.026 -0.345 1.00 65.44 H new ATOM 0 HG3 ARG A 108 -11.436 -1.314 -0.968 1.00 65.44 H new ATOM 0 HD2 ARG A 108 -13.972 -2.854 -1.666 1.00 13.23 H new ATOM 0 HD3 ARG A 108 -13.062 -1.789 -2.720 1.00 13.23 H new ATOM 0 HE ARG A 108 -12.514 -4.575 -2.123 1.00 51.21 H new ATOM 0 HH11 ARG A 108 -10.925 -1.574 -3.158 1.00 12.12 H new ATOM 0 HH12 ARG A 108 -9.613 -2.442 -3.961 1.00 12.12 H new ATOM 0 HH21 ARG A 108 -10.879 -5.637 -3.178 1.00 32.25 H new ATOM 0 HH22 ARG A 108 -9.588 -4.730 -3.972 1.00 32.25 H new ATOM 1747 N TYR A 109 -13.484 -3.424 3.391 1.00 52.52 N ATOM 1748 CA TYR A 109 -13.340 -3.874 4.763 1.00 31.41 C ATOM 1749 C TYR A 109 -14.327 -5.006 4.993 1.00 73.53 C ATOM 1750 O TYR A 109 -13.911 -6.104 5.348 1.00 64.24 O ATOM 1751 CB TYR A 109 -13.620 -2.721 5.735 1.00 34.52 C ATOM 1752 CG TYR A 109 -13.499 -3.107 7.200 1.00 21.12 C ATOM 1753 CD1 TYR A 109 -14.577 -3.738 7.856 1.00 14.14 C ATOM 1754 CD2 TYR A 109 -12.309 -2.846 7.907 1.00 32.13 C ATOM 1755 CE1 TYR A 109 -14.472 -4.107 9.207 1.00 21.34 C ATOM 1756 CE2 TYR A 109 -12.201 -3.204 9.263 1.00 64.40 C ATOM 1757 CZ TYR A 109 -13.285 -3.827 9.921 1.00 33.10 C ATOM 1758 OH TYR A 109 -13.188 -4.143 11.243 1.00 43.44 O ATOM 0 H TYR A 109 -13.923 -2.508 3.297 1.00 52.52 H new ATOM 0 HA TYR A 109 -12.322 -4.220 4.938 1.00 31.41 H new ATOM 0 HB2 TYR A 109 -12.927 -1.906 5.526 1.00 34.52 H new ATOM 0 HB3 TYR A 109 -14.625 -2.340 5.552 1.00 34.52 H new ATOM 0 HD1 TYR A 109 -15.490 -3.939 7.315 1.00 14.14 H new ATOM 0 HD2 TYR A 109 -11.478 -2.370 7.407 1.00 32.13 H new ATOM 0 HE1 TYR A 109 -15.296 -4.603 9.699 1.00 21.34 H new ATOM 0 HE2 TYR A 109 -11.287 -3.002 9.802 1.00 64.40 H new ATOM 0 HH TYR A 109 -12.304 -3.883 11.578 1.00 43.44 H new ATOM 1768 N GLN A 110 -15.616 -4.775 4.709 1.00 42.40 N ATOM 1769 CA GLN A 110 -16.655 -5.768 4.913 1.00 61.21 C ATOM 1770 C GLN A 110 -16.427 -6.988 4.032 1.00 1.04 C ATOM 1771 O GLN A 110 -16.814 -8.086 4.415 1.00 43.41 O ATOM 1772 CB GLN A 110 -18.067 -5.178 4.711 1.00 31.23 C ATOM 1773 CG GLN A 110 -18.431 -4.900 3.242 1.00 41.31 C ATOM 1774 CD GLN A 110 -19.831 -4.328 3.034 1.00 34.32 C ATOM 1775 OE1 GLN A 110 -20.686 -4.314 3.919 1.00 43.31 O ATOM 1776 NE2 GLN A 110 -20.117 -3.826 1.846 1.00 71.35 N ATOM 0 H GLN A 110 -15.958 -3.891 4.332 1.00 42.40 H new ATOM 0 HA GLN A 110 -16.595 -6.092 5.952 1.00 61.21 H new ATOM 0 HB2 GLN A 110 -18.800 -5.867 5.131 1.00 31.23 H new ATOM 0 HB3 GLN A 110 -18.144 -4.248 5.275 1.00 31.23 H new ATOM 0 HG2 GLN A 110 -17.702 -4.204 2.826 1.00 41.31 H new ATOM 0 HG3 GLN A 110 -18.344 -5.828 2.677 1.00 41.31 H new ATOM 0 HE21 GLN A 110 -19.414 -3.833 1.107 1.00 71.35 H new ATOM 0 HE22 GLN A 110 -21.040 -3.431 1.668 1.00 71.35 H new ATOM 1785 N GLU A 111 -15.819 -6.820 2.856 1.00 62.42 N ATOM 1786 CA GLU A 111 -15.586 -7.940 1.950 1.00 25.24 C ATOM 1787 C GLU A 111 -14.861 -9.087 2.638 1.00 11.53 C ATOM 1788 O GLU A 111 -15.187 -10.241 2.362 1.00 31.14 O ATOM 1789 CB GLU A 111 -14.847 -7.473 0.689 1.00 62.13 C ATOM 1790 CG GLU A 111 -15.849 -7.030 -0.383 1.00 74.32 C ATOM 1791 CD GLU A 111 -16.186 -8.156 -1.351 1.00 74.12 C ATOM 1792 OE1 GLU A 111 -15.607 -8.157 -2.465 1.00 63.30 O ATOM 1793 OE2 GLU A 111 -17.084 -8.972 -1.024 1.00 34.31 O ATOM 0 H GLU A 111 -15.481 -5.921 2.512 1.00 62.42 H new ATOM 0 HA GLU A 111 -16.558 -8.327 1.644 1.00 25.24 H new ATOM 0 HB2 GLU A 111 -14.179 -6.647 0.936 1.00 62.13 H new ATOM 0 HB3 GLU A 111 -14.225 -8.281 0.303 1.00 62.13 H new ATOM 0 HG2 GLU A 111 -16.763 -6.680 0.098 1.00 74.32 H new ATOM 0 HG3 GLU A 111 -15.437 -6.187 -0.937 1.00 74.32 H new ATOM 1800 N ARG A 112 -13.853 -8.775 3.457 1.00 55.11 N ATOM 1801 CA ARG A 112 -13.090 -9.779 4.186 1.00 23.30 C ATOM 1802 C ARG A 112 -13.422 -9.822 5.674 1.00 30.13 C ATOM 1803 O ARG A 112 -13.700 -10.883 6.224 1.00 14.33 O ATOM 1804 CB ARG A 112 -11.598 -9.609 3.886 1.00 51.51 C ATOM 1805 CG ARG A 112 -11.322 -9.682 2.368 1.00 55.55 C ATOM 1806 CD ARG A 112 -10.048 -10.445 1.984 1.00 23.53 C ATOM 1807 NE ARG A 112 -9.751 -10.299 0.546 1.00 54.25 N ATOM 1808 CZ ARG A 112 -10.294 -10.985 -0.470 1.00 62.01 C ATOM 1809 NH1 ARG A 112 -11.177 -11.947 -0.225 1.00 1.24 N ATOM 1810 NH2 ARG A 112 -9.976 -10.686 -1.726 1.00 65.33 N ATOM 0 H ARG A 112 -13.547 -7.818 3.630 1.00 55.11 H new ATOM 0 HA ARG A 112 -13.387 -10.765 3.829 1.00 23.30 H new ATOM 0 HB2 ARG A 112 -11.253 -8.651 4.275 1.00 51.51 H new ATOM 0 HB3 ARG A 112 -11.030 -10.385 4.399 1.00 51.51 H new ATOM 0 HG2 ARG A 112 -12.174 -10.156 1.880 1.00 55.55 H new ATOM 0 HG3 ARG A 112 -11.254 -8.667 1.976 1.00 55.55 H new ATOM 0 HD2 ARG A 112 -9.208 -10.074 2.571 1.00 23.53 H new ATOM 0 HD3 ARG A 112 -10.166 -11.501 2.228 1.00 23.53 H new ATOM 0 HE ARG A 112 -9.054 -9.597 0.297 1.00 54.25 H new ATOM 0 HH11 ARG A 112 -11.442 -12.164 0.736 1.00 1.24 H new ATOM 0 HH12 ARG A 112 -11.590 -12.469 -0.998 1.00 1.24 H new ATOM 0 HH21 ARG A 112 -9.317 -9.932 -1.920 1.00 65.33 H new ATOM 0 HH22 ARG A 112 -10.391 -11.210 -2.496 1.00 65.33 H new ATOM 1824 N TYR A 113 -13.467 -8.662 6.326 1.00 73.30 N ATOM 1825 CA TYR A 113 -13.728 -8.499 7.753 1.00 33.34 C ATOM 1826 C TYR A 113 -15.216 -8.310 8.090 1.00 53.44 C ATOM 1827 O TYR A 113 -15.550 -7.824 9.171 1.00 25.20 O ATOM 1828 CB TYR A 113 -12.863 -7.335 8.275 1.00 24.30 C ATOM 1829 CG TYR A 113 -11.379 -7.453 7.951 1.00 3.33 C ATOM 1830 CD1 TYR A 113 -10.746 -6.527 7.097 1.00 73.24 C ATOM 1831 CD2 TYR A 113 -10.630 -8.513 8.492 1.00 4.44 C ATOM 1832 CE1 TYR A 113 -9.379 -6.666 6.784 1.00 44.31 C ATOM 1833 CE2 TYR A 113 -9.259 -8.637 8.220 1.00 63.42 C ATOM 1834 CZ TYR A 113 -8.625 -7.713 7.367 1.00 75.30 C ATOM 1835 OH TYR A 113 -7.323 -7.916 7.024 1.00 43.35 O ATOM 0 H TYR A 113 -13.316 -7.771 5.852 1.00 73.30 H new ATOM 0 HA TYR A 113 -13.453 -9.424 8.260 1.00 33.34 H new ATOM 0 HB2 TYR A 113 -13.240 -6.403 7.855 1.00 24.30 H new ATOM 0 HB3 TYR A 113 -12.981 -7.268 9.357 1.00 24.30 H new ATOM 0 HD1 TYR A 113 -11.312 -5.707 6.680 1.00 73.24 H new ATOM 0 HD2 TYR A 113 -11.116 -9.241 9.125 1.00 4.44 H new ATOM 0 HE1 TYR A 113 -8.907 -5.975 6.101 1.00 44.31 H new ATOM 0 HE2 TYR A 113 -8.690 -9.440 8.664 1.00 63.42 H new ATOM 0 HH TYR A 113 -6.967 -8.679 7.526 1.00 43.35 H new ATOM 1845 N GLY A 114 -16.126 -8.688 7.193 1.00 51.43 N ATOM 1846 CA GLY A 114 -17.573 -8.600 7.361 1.00 75.31 C ATOM 1847 C GLY A 114 -18.250 -9.727 6.577 1.00 45.22 C ATOM 1848 O GLY A 114 -17.561 -10.577 5.998 1.00 25.54 O ATOM 0 H GLY A 114 -15.861 -9.081 6.290 1.00 51.43 H new ATOM 0 HA2 GLY A 114 -17.832 -8.672 8.417 1.00 75.31 H new ATOM 0 HA3 GLY A 114 -17.932 -7.632 7.010 1.00 75.31 H new ATOM 1852 N ASN A 115 -19.588 -9.771 6.593 1.00 12.31 N ATOM 1853 CA ASN A 115 -20.397 -10.771 5.889 1.00 31.21 C ATOM 1854 C ASN A 115 -21.751 -10.157 5.519 1.00 3.05 C ATOM 1855 O ASN A 115 -22.773 -10.441 6.156 1.00 52.04 O ATOM 1856 CB ASN A 115 -20.599 -12.044 6.737 1.00 72.13 C ATOM 1857 CG ASN A 115 -19.330 -12.861 6.868 1.00 13.24 C ATOM 1858 OD1 ASN A 115 -18.662 -12.789 7.895 1.00 10.34 O ATOM 1859 ND2 ASN A 115 -18.954 -13.616 5.854 1.00 51.54 N ATOM 0 H ASN A 115 -20.151 -9.095 7.109 1.00 12.31 H new ATOM 0 HA ASN A 115 -19.866 -11.067 4.984 1.00 31.21 H new ATOM 0 HB2 ASN A 115 -20.951 -11.763 7.730 1.00 72.13 H new ATOM 0 HB3 ASN A 115 -21.378 -12.658 6.285 1.00 72.13 H new ATOM 0 HD21 ASN A 115 -18.091 -14.156 5.913 1.00 51.54 H new ATOM 0 HD22 ASN A 115 -19.526 -13.659 5.011 1.00 51.54 H new ATOM 1866 N LYS A 116 -21.796 -9.303 4.498 1.00 24.51 N ATOM 1867 CA LYS A 116 -22.990 -8.621 4.015 1.00 5.40 C ATOM 1868 C LYS A 116 -22.796 -8.271 2.530 1.00 73.11 C ATOM 1869 O LYS A 116 -21.711 -8.455 1.981 1.00 4.30 O ATOM 1870 CB LYS A 116 -23.171 -7.381 4.913 1.00 41.31 C ATOM 1871 CG LYS A 116 -24.574 -6.772 4.859 1.00 71.13 C ATOM 1872 CD LYS A 116 -24.722 -5.733 5.973 1.00 53.12 C ATOM 1873 CE LYS A 116 -26.032 -4.958 5.821 1.00 40.41 C ATOM 1874 NZ LYS A 116 -26.117 -3.858 6.799 1.00 71.52 N ATOM 0 H LYS A 116 -20.963 -9.058 3.963 1.00 24.51 H new ATOM 0 HA LYS A 116 -23.890 -9.234 4.071 1.00 5.40 H new ATOM 0 HB2 LYS A 116 -22.945 -7.655 5.943 1.00 41.31 H new ATOM 0 HB3 LYS A 116 -22.445 -6.623 4.618 1.00 41.31 H new ATOM 0 HG2 LYS A 116 -24.743 -6.306 3.888 1.00 71.13 H new ATOM 0 HG3 LYS A 116 -25.326 -7.553 4.973 1.00 71.13 H new ATOM 0 HD2 LYS A 116 -24.697 -6.228 6.944 1.00 53.12 H new ATOM 0 HD3 LYS A 116 -23.880 -5.042 5.946 1.00 53.12 H new ATOM 0 HE2 LYS A 116 -26.105 -4.556 4.810 1.00 40.41 H new ATOM 0 HE3 LYS A 116 -26.876 -5.635 5.956 1.00 40.41 H new ATOM 0 HZ1 LYS A 116 -27.016 -3.350 6.673 1.00 71.52 H new ATOM 0 HZ2 LYS A 116 -26.071 -4.246 7.763 1.00 71.52 H new ATOM 0 HZ3 LYS A 116 -25.324 -3.201 6.652 1.00 71.52 H new ATOM 1888 N LYS A 117 -23.813 -7.675 1.901 1.00 32.10 N ATOM 1889 CA LYS A 117 -23.867 -7.249 0.501 1.00 1.23 C ATOM 1890 C LYS A 117 -23.898 -8.460 -0.432 1.00 22.34 C ATOM 1891 O LYS A 117 -23.494 -9.568 -0.066 1.00 2.25 O ATOM 1892 CB LYS A 117 -22.735 -6.240 0.181 1.00 70.51 C ATOM 1893 CG LYS A 117 -23.123 -5.223 -0.904 1.00 54.54 C ATOM 1894 CD LYS A 117 -22.068 -4.122 -1.077 1.00 11.45 C ATOM 1895 CE LYS A 117 -22.557 -2.947 -1.934 1.00 14.34 C ATOM 1896 NZ LYS A 117 -22.861 -3.318 -3.329 1.00 41.03 N ATOM 0 H LYS A 117 -24.681 -7.463 2.392 1.00 32.10 H new ATOM 0 HA LYS A 117 -24.799 -6.710 0.327 1.00 1.23 H new ATOM 0 HB2 LYS A 117 -22.465 -5.705 1.092 1.00 70.51 H new ATOM 0 HB3 LYS A 117 -21.849 -6.787 -0.142 1.00 70.51 H new ATOM 0 HG2 LYS A 117 -23.261 -5.742 -1.852 1.00 54.54 H new ATOM 0 HG3 LYS A 117 -24.080 -4.769 -0.647 1.00 54.54 H new ATOM 0 HD2 LYS A 117 -21.775 -3.750 -0.095 1.00 11.45 H new ATOM 0 HD3 LYS A 117 -21.176 -4.551 -1.534 1.00 11.45 H new ATOM 0 HE2 LYS A 117 -23.451 -2.523 -1.477 1.00 14.34 H new ATOM 0 HE3 LYS A 117 -21.797 -2.166 -1.932 1.00 14.34 H new ATOM 0 HZ1 LYS A 117 -23.136 -2.468 -3.862 1.00 41.03 H new ATOM 0 HZ2 LYS A 117 -22.019 -3.743 -3.766 1.00 41.03 H new ATOM 0 HZ3 LYS A 117 -23.643 -4.004 -3.343 1.00 41.03 H new ATOM 1910 N SER A 118 -24.362 -8.241 -1.654 1.00 73.13 N ATOM 1911 CA SER A 118 -24.472 -9.246 -2.693 1.00 10.13 C ATOM 1912 C SER A 118 -24.078 -8.599 -4.016 1.00 54.43 C ATOM 1913 O SER A 118 -23.023 -8.920 -4.549 1.00 23.23 O ATOM 1914 CB SER A 118 -25.903 -9.815 -2.694 1.00 24.21 C ATOM 1915 OG SER A 118 -26.069 -10.811 -3.683 1.00 11.41 O ATOM 0 H SER A 118 -24.684 -7.322 -1.957 1.00 73.13 H new ATOM 0 HA SER A 118 -23.802 -10.089 -2.522 1.00 10.13 H new ATOM 0 HB2 SER A 118 -26.128 -10.235 -1.714 1.00 24.21 H new ATOM 0 HB3 SER A 118 -26.615 -9.008 -2.867 1.00 24.21 H new ATOM 0 HG SER A 118 -26.478 -10.415 -4.481 1.00 11.41 H new ATOM 1921 N GLN A 119 -24.855 -7.607 -4.471 1.00 54.13 N ATOM 1922 CA GLN A 119 -24.660 -6.904 -5.736 1.00 11.12 C ATOM 1923 C GLN A 119 -24.758 -7.934 -6.858 1.00 1.14 C ATOM 1924 O GLN A 119 -23.798 -8.277 -7.543 1.00 31.23 O ATOM 1925 CB GLN A 119 -23.398 -6.041 -5.751 1.00 70.00 C ATOM 1926 CG GLN A 119 -23.414 -4.938 -6.823 1.00 10.10 C ATOM 1927 CD GLN A 119 -23.065 -5.416 -8.230 1.00 62.15 C ATOM 1928 OE1 GLN A 119 -21.896 -5.478 -8.608 1.00 55.50 O ATOM 1929 NE2 GLN A 119 -24.048 -5.723 -9.054 1.00 51.40 N ATOM 0 H GLN A 119 -25.661 -7.264 -3.948 1.00 54.13 H new ATOM 0 HA GLN A 119 -25.445 -6.164 -5.888 1.00 11.12 H new ATOM 0 HB2 GLN A 119 -23.272 -5.581 -4.771 1.00 70.00 H new ATOM 0 HB3 GLN A 119 -22.532 -6.682 -5.916 1.00 70.00 H new ATOM 0 HG2 GLN A 119 -24.404 -4.483 -6.843 1.00 10.10 H new ATOM 0 HG3 GLN A 119 -22.710 -4.158 -6.533 1.00 10.10 H new ATOM 0 HE21 GLN A 119 -25.016 -5.670 -8.736 1.00 51.40 H new ATOM 0 HE22 GLN A 119 -23.841 -6.013 -10.010 1.00 51.40 H new ATOM 1938 N ASP A 120 -25.971 -8.448 -6.996 1.00 1.15 N ATOM 1939 CA ASP A 120 -26.325 -9.437 -7.992 1.00 65.13 C ATOM 1940 C ASP A 120 -26.225 -8.758 -9.349 1.00 41.53 C ATOM 1941 O ASP A 120 -26.585 -7.585 -9.508 1.00 34.12 O ATOM 1942 CB ASP A 120 -27.745 -9.965 -7.797 1.00 32.53 C ATOM 1943 CG ASP A 120 -27.933 -10.749 -6.501 1.00 70.24 C ATOM 1944 OD1 ASP A 120 -27.854 -10.136 -5.408 1.00 22.24 O ATOM 1945 OD2 ASP A 120 -28.167 -11.977 -6.576 1.00 15.34 O ATOM 0 H ASP A 120 -26.754 -8.179 -6.400 1.00 1.15 H new ATOM 0 HA ASP A 120 -25.651 -10.290 -7.909 1.00 65.13 H new ATOM 0 HB2 ASP A 120 -28.440 -9.126 -7.808 1.00 32.53 H new ATOM 0 HB3 ASP A 120 -28.005 -10.605 -8.640 1.00 32.53 H new ATOM 1950 N LEU A 121 -25.746 -9.503 -10.330 1.00 61.53 N ATOM 1951 CA LEU A 121 -25.546 -9.068 -11.705 1.00 65.42 C ATOM 1952 C LEU A 121 -26.061 -10.139 -12.672 1.00 74.03 C ATOM 1953 O LEU A 121 -26.477 -11.210 -12.226 1.00 42.23 O ATOM 1954 CB LEU A 121 -24.072 -8.651 -11.901 1.00 4.33 C ATOM 1955 CG LEU A 121 -22.991 -9.583 -11.309 1.00 55.31 C ATOM 1956 CD1 LEU A 121 -22.985 -10.954 -11.982 1.00 25.30 C ATOM 1957 CD2 LEU A 121 -21.621 -8.909 -11.433 1.00 42.02 C ATOM 0 H LEU A 121 -25.472 -10.475 -10.184 1.00 61.53 H new ATOM 0 HA LEU A 121 -26.134 -8.179 -11.933 1.00 65.42 H new ATOM 0 HB2 LEU A 121 -23.887 -8.556 -12.971 1.00 4.33 H new ATOM 0 HB3 LEU A 121 -23.940 -7.661 -11.465 1.00 4.33 H new ATOM 0 HG LEU A 121 -23.222 -9.752 -10.257 1.00 55.31 H new ATOM 0 HD11 LEU A 121 -22.210 -11.576 -11.534 1.00 25.30 H new ATOM 0 HD12 LEU A 121 -23.956 -11.430 -11.846 1.00 25.30 H new ATOM 0 HD13 LEU A 121 -22.785 -10.836 -13.047 1.00 25.30 H new ATOM 0 HD21 LEU A 121 -20.855 -9.563 -11.017 1.00 42.02 H new ATOM 0 HD22 LEU A 121 -21.403 -8.718 -12.484 1.00 42.02 H new ATOM 0 HD23 LEU A 121 -21.629 -7.966 -10.887 1.00 42.02 H new ATOM 1969 N LYS A 122 -26.112 -9.823 -13.968 1.00 1.13 N ATOM 1970 CA LYS A 122 -26.586 -10.675 -15.059 1.00 3.33 C ATOM 1971 C LYS A 122 -26.151 -10.036 -16.358 1.00 73.22 C ATOM 1972 O LYS A 122 -25.851 -10.756 -17.331 1.00 13.14 O ATOM 1973 CB LYS A 122 -28.123 -10.831 -15.021 1.00 40.22 C ATOM 1974 CG LYS A 122 -28.855 -9.491 -14.839 1.00 5.42 C ATOM 1975 CD LYS A 122 -30.352 -9.550 -15.119 1.00 30.12 C ATOM 1976 CE LYS A 122 -30.863 -8.109 -15.011 1.00 43.13 C ATOM 1977 NZ LYS A 122 -31.728 -7.730 -16.138 1.00 60.22 N ATOM 0 H LYS A 122 -25.805 -8.910 -14.303 1.00 1.13 H new ATOM 0 HA LYS A 122 -26.163 -11.675 -14.960 1.00 3.33 H new ATOM 0 HB2 LYS A 122 -28.459 -11.300 -15.946 1.00 40.22 H new ATOM 0 HB3 LYS A 122 -28.395 -11.502 -14.206 1.00 40.22 H new ATOM 0 HG2 LYS A 122 -28.702 -9.143 -13.818 1.00 5.42 H new ATOM 0 HG3 LYS A 122 -28.403 -8.751 -15.499 1.00 5.42 H new ATOM 0 HD2 LYS A 122 -30.547 -9.959 -16.110 1.00 30.12 H new ATOM 0 HD3 LYS A 122 -30.857 -10.197 -14.402 1.00 30.12 H new ATOM 0 HE2 LYS A 122 -31.415 -7.992 -14.079 1.00 43.13 H new ATOM 0 HE3 LYS A 122 -30.013 -7.428 -14.965 1.00 43.13 H new ATOM 0 HZ1 LYS A 122 -32.046 -6.747 -16.016 1.00 60.22 H new ATOM 0 HZ2 LYS A 122 -31.196 -7.814 -17.028 1.00 60.22 H new ATOM 0 HZ3 LYS A 122 -32.555 -8.360 -16.168 1.00 60.22 H new TER 1991 LYS A 122