USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 849 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 93 ASN : amide:sc= -7.1! C(o=-7.6!,f=-7.9!) USER MOD Set 1.2: A 97 SER OG : rot 163:sc= -0.459 USER MOD Set 2.1: A 90 SER OG : rot -156:sc= 1.33 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.685 K(o=0.64,f=-3.1!) USER MOD Set 3.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 87 LYS NZ :NH3+ -147:sc= 1.24 (180deg=0.0598!) USER MOD Set 4.1: A 19 ASN : amide:sc= 1.1 K(o=0.48,f=-0.24) USER MOD Set 4.2: A 80 ASN : amide:sc= -0.379 K(o=0.48,f=-0.24!) USER MOD Set 4.3: A 112 ASN :FLIP amide:sc= -0.236 F(o=-1.1,f=0.48) USER MOD Set 5.1: A 40 LYS NZ :NH3+ -157:sc= 2.01 (180deg=0.569!) USER MOD Set 5.2: A 62 SER OG : rot 176:sc= 1.42 USER MOD Set 6.1: A 25 ASN : amide:sc= 0.748 K(o=1.5,f=-1.3) USER MOD Set 6.2: A 29 GLN : amide:sc= 0.791 K(o=1.5,f=-0.62) USER MOD Set 7.1: A 24 TYR OH : rot 27:sc= 0.728 USER MOD Set 7.2: A 49 ASN : amide:sc= 0.758 K(o=1.5,f=0.5) USER MOD Set 8.1: A 5 THR OG1 : rot -30:sc= 0 USER MOD Set 8.2: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 8.3: A 14 THR OG1 : rot 21:sc= 0.649 USER MOD Set 9.1: A 7 TYR OH : rot 180:sc= -0.6 USER MOD Set 9.2: A 94 SER OG : rot -127:sc= 0.643 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 1.26 (180deg=0.78) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 2.13 (180deg=1.66) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.06) USER MOD Single : A 11 TYR OH : rot 150:sc= 0.125 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 17 ASN :FLIP amide:sc=-0.00166 F(o=-0.5,f=-0.0017) USER MOD Single : A 18 TYR OH : rot 51:sc= 1.15 USER MOD Single : A 21 ASN : amide:sc=-0.00381 X(o=-0.0038,f=0) USER MOD Single : A 22 THR OG1 : rot 110:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= 1.32 USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.019) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.291 F(o=-2.1!,f=-0.29) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -5:sc= 0.432 USER MOD Single : A 42 ASN : amide:sc= 0.392 K(o=0.39,f=-0.22) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -140:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.364) USER MOD Single : A 51 ASN : amide:sc= 0.695 K(o=0.69,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= -0.0979 K(o=-0.098,f=-4.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 89:sc= -0.815 USER MOD Single : A 64 SER OG : rot 17:sc= 0.77 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -23:sc= 0.584 USER MOD Single : A 71 GLN :FLIP amide:sc=-0.00955 F(o=-0.96,f=-0.0096) USER MOD Single : A 74 MET CE :methyl -141:sc= -1.47 (180deg=-3.69!) USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= 1.33 (180deg=-0.104!) USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= 1.18 (180deg=0.62) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 90:sc= -1.14 USER MOD Single : A 85 SER OG : rot 166:sc= 0.924 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -2:sc= 0.863 USER MOD Single : A 114 HIS : no HE2:sc= 0.114 K(o=0.11,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.416 -8.825 14.417 1.00 62.32 N ATOM 2 CA MET A 1 -8.416 -9.683 13.748 1.00 2.34 C ATOM 3 C MET A 1 -8.917 -8.867 12.634 1.00 0.42 C ATOM 4 O MET A 1 -9.705 -7.958 12.836 1.00 14.53 O ATOM 5 CB MET A 1 -9.552 -10.054 14.713 1.00 13.23 C ATOM 6 CG MET A 1 -10.658 -10.901 14.093 1.00 72.43 C ATOM 7 SD MET A 1 -11.929 -11.334 15.288 1.00 11.14 S ATOM 8 CE MET A 1 -13.070 -12.262 14.260 1.00 12.55 C ATOM 0 H1 MET A 1 -6.621 -9.410 14.746 1.00 62.32 H new ATOM 0 H2 MET A 1 -7.067 -8.111 13.746 1.00 62.32 H new ATOM 0 H3 MET A 1 -7.855 -8.349 15.231 1.00 62.32 H new ATOM 0 HA MET A 1 -7.990 -10.627 13.408 1.00 2.34 H new ATOM 0 HB2 MET A 1 -9.130 -10.594 15.560 1.00 13.23 H new ATOM 0 HB3 MET A 1 -9.991 -9.137 15.106 1.00 13.23 H new ATOM 0 HG2 MET A 1 -11.110 -10.356 13.265 1.00 72.43 H new ATOM 0 HG3 MET A 1 -10.227 -11.812 13.677 1.00 72.43 H new ATOM 0 HE1 MET A 1 -13.913 -12.598 14.864 1.00 12.55 H new ATOM 0 HE2 MET A 1 -13.432 -11.626 13.453 1.00 12.55 H new ATOM 0 HE3 MET A 1 -12.559 -13.127 13.838 1.00 12.55 H new ATOM 17 N ASP A 2 -8.425 -9.144 11.465 1.00 54.33 N ATOM 18 CA ASP A 2 -8.539 -8.183 10.427 1.00 30.11 C ATOM 19 C ASP A 2 -9.091 -8.719 9.140 1.00 53.33 C ATOM 20 O ASP A 2 -9.444 -9.891 9.017 1.00 34.30 O ATOM 21 CB ASP A 2 -7.182 -7.482 10.241 1.00 25.52 C ATOM 22 CG ASP A 2 -6.824 -6.624 11.433 1.00 44.25 C ATOM 23 OD1 ASP A 2 -6.410 -7.204 12.509 1.00 1.43 O ATOM 24 OD2 ASP A 2 -7.010 -5.393 11.335 1.00 74.54 O ATOM 0 H ASP A 2 -7.951 -10.012 11.215 1.00 54.33 H new ATOM 0 HA ASP A 2 -9.287 -7.454 10.739 1.00 30.11 H new ATOM 0 HB2 ASP A 2 -6.405 -8.230 10.086 1.00 25.52 H new ATOM 0 HB3 ASP A 2 -7.213 -6.863 9.344 1.00 25.52 H new ATOM 29 N LYS A 3 -9.104 -7.848 8.191 1.00 65.21 N ATOM 30 CA LYS A 3 -9.738 -7.994 6.931 1.00 35.21 C ATOM 31 C LYS A 3 -8.818 -8.647 5.892 1.00 12.22 C ATOM 32 O LYS A 3 -8.010 -7.983 5.233 1.00 3.43 O ATOM 33 CB LYS A 3 -10.286 -6.607 6.457 1.00 32.41 C ATOM 34 CG LYS A 3 -9.287 -5.416 6.584 1.00 40.53 C ATOM 35 CD LYS A 3 -9.178 -4.847 8.023 1.00 3.01 C ATOM 36 CE LYS A 3 -7.925 -3.998 8.192 1.00 31.44 C ATOM 37 NZ LYS A 3 -7.767 -3.474 9.575 1.00 42.15 N ATOM 0 H LYS A 3 -8.635 -6.947 8.286 1.00 65.21 H new ATOM 0 HA LYS A 3 -10.581 -8.676 7.042 1.00 35.21 H new ATOM 0 HB2 LYS A 3 -10.592 -6.693 5.414 1.00 32.41 H new ATOM 0 HB3 LYS A 3 -11.181 -6.372 7.034 1.00 32.41 H new ATOM 0 HG2 LYS A 3 -8.300 -5.744 6.256 1.00 40.53 H new ATOM 0 HG3 LYS A 3 -9.598 -4.618 5.910 1.00 40.53 H new ATOM 0 HD2 LYS A 3 -10.059 -4.246 8.246 1.00 3.01 H new ATOM 0 HD3 LYS A 3 -9.163 -5.668 8.740 1.00 3.01 H new ATOM 0 HE2 LYS A 3 -7.050 -4.594 7.932 1.00 31.44 H new ATOM 0 HE3 LYS A 3 -7.961 -3.162 7.493 1.00 31.44 H new ATOM 0 HZ1 LYS A 3 -7.084 -2.689 9.573 1.00 42.15 H new ATOM 0 HZ2 LYS A 3 -8.685 -3.133 9.924 1.00 42.15 H new ATOM 0 HZ3 LYS A 3 -7.420 -4.233 10.196 1.00 42.15 H new ATOM 51 N GLY A 4 -8.897 -9.963 5.831 1.00 74.33 N ATOM 52 CA GLY A 4 -8.140 -10.751 4.854 1.00 12.34 C ATOM 53 C GLY A 4 -6.649 -10.599 5.036 1.00 55.11 C ATOM 54 O GLY A 4 -5.887 -10.644 4.074 1.00 1.11 O ATOM 0 H GLY A 4 -9.483 -10.522 6.451 1.00 74.33 H new ATOM 0 HA2 GLY A 4 -8.411 -11.802 4.949 1.00 12.34 H new ATOM 0 HA3 GLY A 4 -8.416 -10.440 3.846 1.00 12.34 H new ATOM 58 N THR A 5 -6.263 -10.390 6.261 1.00 41.43 N ATOM 59 CA THR A 5 -4.907 -10.174 6.623 1.00 23.35 C ATOM 60 C THR A 5 -4.161 -11.493 6.798 1.00 73.11 C ATOM 61 O THR A 5 -4.467 -12.287 7.690 1.00 10.40 O ATOM 62 CB THR A 5 -4.849 -9.333 7.908 1.00 3.35 C ATOM 63 OG1 THR A 5 -5.461 -8.051 7.654 1.00 5.43 O ATOM 64 CG2 THR A 5 -3.424 -9.139 8.397 1.00 2.11 C ATOM 0 H THR A 5 -6.907 -10.366 7.052 1.00 41.43 H new ATOM 0 HA THR A 5 -4.412 -9.631 5.818 1.00 23.35 H new ATOM 0 HB THR A 5 -5.389 -9.865 8.691 1.00 3.35 H new ATOM 0 HG1 THR A 5 -5.340 -7.812 6.711 1.00 5.43 H new ATOM 0 HG21 THR A 5 -3.430 -8.539 9.307 1.00 2.11 H new ATOM 0 HG22 THR A 5 -2.976 -10.110 8.606 1.00 2.11 H new ATOM 0 HG23 THR A 5 -2.842 -8.628 7.630 1.00 2.11 H new ATOM 72 N GLN A 6 -3.215 -11.722 5.924 1.00 33.31 N ATOM 73 CA GLN A 6 -2.379 -12.897 5.970 1.00 15.53 C ATOM 74 C GLN A 6 -0.940 -12.451 5.870 1.00 25.30 C ATOM 75 O GLN A 6 -0.627 -11.531 5.117 1.00 55.05 O ATOM 76 CB GLN A 6 -2.699 -13.839 4.800 1.00 2.14 C ATOM 77 CG GLN A 6 -4.135 -14.341 4.763 1.00 51.22 C ATOM 78 CD GLN A 6 -4.446 -15.198 3.544 1.00 34.14 C ATOM 79 OE1 GLN A 6 -3.470 -15.925 3.051 1.00 13.22 O flip ATOM 80 NE2 GLN A 6 -5.561 -15.216 3.058 1.00 15.12 N flip ATOM 0 H GLN A 6 -3.000 -11.092 5.151 1.00 33.31 H new ATOM 0 HA GLN A 6 -2.558 -13.435 6.901 1.00 15.53 H new ATOM 0 HB2 GLN A 6 -2.485 -13.321 3.865 1.00 2.14 H new ATOM 0 HB3 GLN A 6 -2.029 -14.698 4.849 1.00 2.14 H new ATOM 0 HG2 GLN A 6 -4.333 -14.920 5.665 1.00 51.22 H new ATOM 0 HG3 GLN A 6 -4.811 -13.486 4.779 1.00 51.22 H new ATOM 0 HE21 GLN A 6 -6.302 -14.642 3.460 1.00 15.12 H new ATOM 0 HE22 GLN A 6 -5.755 -15.805 2.248 1.00 15.12 H new ATOM 89 N TYR A 7 -0.084 -13.050 6.643 1.00 61.15 N ATOM 90 CA TYR A 7 1.319 -12.749 6.577 1.00 35.24 C ATOM 91 C TYR A 7 2.083 -14.016 6.253 1.00 44.21 C ATOM 92 O TYR A 7 1.896 -15.034 6.920 1.00 41.23 O ATOM 93 CB TYR A 7 1.811 -12.124 7.893 1.00 62.01 C ATOM 94 CG TYR A 7 3.272 -11.731 7.863 1.00 32.41 C ATOM 95 CD1 TYR A 7 3.692 -10.628 7.138 1.00 22.51 C ATOM 96 CD2 TYR A 7 4.229 -12.475 8.543 1.00 23.04 C ATOM 97 CE1 TYR A 7 5.019 -10.272 7.092 1.00 22.24 C ATOM 98 CE2 TYR A 7 5.563 -12.126 8.500 1.00 42.31 C ATOM 99 CZ TYR A 7 5.953 -11.023 7.774 1.00 13.23 C ATOM 100 OH TYR A 7 7.285 -10.676 7.721 1.00 52.31 O ATOM 0 H TYR A 7 -0.334 -13.757 7.334 1.00 61.15 H new ATOM 0 HA TYR A 7 1.493 -12.016 5.789 1.00 35.24 H new ATOM 0 HB2 TYR A 7 1.210 -11.242 8.115 1.00 62.01 H new ATOM 0 HB3 TYR A 7 1.650 -12.832 8.706 1.00 62.01 H new ATOM 0 HD1 TYR A 7 2.965 -10.038 6.600 1.00 22.51 H new ATOM 0 HD2 TYR A 7 3.924 -13.340 9.114 1.00 23.04 H new ATOM 0 HE1 TYR A 7 5.329 -9.407 6.524 1.00 22.24 H new ATOM 0 HE2 TYR A 7 6.296 -12.714 9.032 1.00 42.31 H new ATOM 0 HH TYR A 7 7.809 -11.307 8.257 1.00 52.31 H new ATOM 110 N LYS A 8 2.906 -13.977 5.236 1.00 0.25 N ATOM 111 CA LYS A 8 3.677 -15.134 4.857 1.00 71.41 C ATOM 112 C LYS A 8 4.974 -14.708 4.181 1.00 11.41 C ATOM 113 O LYS A 8 4.948 -13.988 3.207 1.00 42.30 O ATOM 114 CB LYS A 8 2.845 -16.035 3.914 1.00 22.35 C ATOM 115 CG LYS A 8 3.497 -17.377 3.539 1.00 1.13 C ATOM 116 CD LYS A 8 3.739 -18.263 4.766 1.00 41.21 C ATOM 117 CE LYS A 8 4.286 -19.645 4.382 1.00 42.35 C ATOM 118 NZ LYS A 8 5.607 -19.586 3.720 1.00 1.43 N ATOM 0 H LYS A 8 3.060 -13.154 4.654 1.00 0.25 H new ATOM 0 HA LYS A 8 3.928 -15.701 5.753 1.00 71.41 H new ATOM 0 HB2 LYS A 8 1.884 -16.237 4.387 1.00 22.35 H new ATOM 0 HB3 LYS A 8 2.640 -15.481 2.998 1.00 22.35 H new ATOM 0 HG2 LYS A 8 2.858 -17.905 2.832 1.00 1.13 H new ATOM 0 HG3 LYS A 8 4.445 -17.191 3.034 1.00 1.13 H new ATOM 0 HD2 LYS A 8 4.442 -17.769 5.436 1.00 41.21 H new ATOM 0 HD3 LYS A 8 2.805 -18.383 5.316 1.00 41.21 H new ATOM 0 HE2 LYS A 8 4.363 -20.260 5.279 1.00 42.35 H new ATOM 0 HE3 LYS A 8 3.576 -20.138 3.718 1.00 42.35 H new ATOM 0 HZ1 LYS A 8 5.937 -20.551 3.517 1.00 1.43 H new ATOM 0 HZ2 LYS A 8 5.526 -19.053 2.831 1.00 1.43 H new ATOM 0 HZ3 LYS A 8 6.288 -19.112 4.347 1.00 1.43 H new ATOM 132 N ASP A 9 6.096 -15.114 4.773 1.00 50.12 N ATOM 133 CA ASP A 9 7.473 -14.935 4.208 1.00 11.13 C ATOM 134 C ASP A 9 7.801 -13.470 3.912 1.00 70.44 C ATOM 135 O ASP A 9 8.482 -13.155 2.942 1.00 75.50 O ATOM 136 CB ASP A 9 7.649 -15.766 2.916 1.00 41.44 C ATOM 137 CG ASP A 9 7.222 -17.202 3.072 1.00 53.21 C ATOM 138 OD1 ASP A 9 7.543 -17.848 4.109 1.00 22.42 O ATOM 139 OD2 ASP A 9 6.500 -17.726 2.189 1.00 33.41 O ATOM 0 H ASP A 9 6.096 -15.588 5.676 1.00 50.12 H new ATOM 0 HA ASP A 9 8.165 -15.287 4.973 1.00 11.13 H new ATOM 0 HB2 ASP A 9 7.071 -15.307 2.114 1.00 41.44 H new ATOM 0 HB3 ASP A 9 8.695 -15.736 2.612 1.00 41.44 H new ATOM 144 N GLY A 10 7.359 -12.582 4.773 1.00 60.31 N ATOM 145 CA GLY A 10 7.631 -11.187 4.582 1.00 1.35 C ATOM 146 C GLY A 10 6.527 -10.478 3.838 1.00 32.41 C ATOM 147 O GLY A 10 6.463 -9.254 3.857 1.00 52.23 O ATOM 0 H GLY A 10 6.813 -12.805 5.606 1.00 60.31 H new ATOM 0 HA2 GLY A 10 7.773 -10.712 5.553 1.00 1.35 H new ATOM 0 HA3 GLY A 10 8.565 -11.075 4.032 1.00 1.35 H new ATOM 151 N TYR A 11 5.664 -11.249 3.203 1.00 61.24 N ATOM 152 CA TYR A 11 4.565 -10.743 2.396 1.00 21.12 C ATOM 153 C TYR A 11 3.308 -10.574 3.246 1.00 35.42 C ATOM 154 O TYR A 11 2.867 -11.511 3.920 1.00 60.35 O ATOM 155 CB TYR A 11 4.331 -11.719 1.217 1.00 41.44 C ATOM 156 CG TYR A 11 3.251 -11.358 0.202 1.00 1.34 C ATOM 157 CD1 TYR A 11 3.185 -10.099 -0.375 1.00 15.11 C ATOM 158 CD2 TYR A 11 2.317 -12.305 -0.196 1.00 10.21 C ATOM 159 CE1 TYR A 11 2.210 -9.793 -1.318 1.00 2.50 C ATOM 160 CE2 TYR A 11 1.349 -12.010 -1.143 1.00 13.44 C ATOM 161 CZ TYR A 11 1.298 -10.754 -1.698 1.00 32.34 C ATOM 162 OH TYR A 11 0.332 -10.458 -2.657 1.00 72.32 O ATOM 0 H TYR A 11 5.707 -12.268 3.234 1.00 61.24 H new ATOM 0 HA TYR A 11 4.813 -9.759 1.999 1.00 21.12 H new ATOM 0 HB2 TYR A 11 5.273 -11.828 0.680 1.00 41.44 H new ATOM 0 HB3 TYR A 11 4.087 -12.696 1.634 1.00 41.44 H new ATOM 0 HD1 TYR A 11 3.902 -9.344 -0.088 1.00 15.11 H new ATOM 0 HD2 TYR A 11 2.345 -13.292 0.241 1.00 10.21 H new ATOM 0 HE1 TYR A 11 2.167 -8.805 -1.752 1.00 2.50 H new ATOM 0 HE2 TYR A 11 0.637 -12.765 -1.444 1.00 13.44 H new ATOM 0 HH TYR A 11 0.103 -11.272 -3.152 1.00 72.32 H new ATOM 172 N TYR A 12 2.777 -9.373 3.244 1.00 31.33 N ATOM 173 CA TYR A 12 1.571 -9.052 3.956 1.00 31.22 C ATOM 174 C TYR A 12 0.438 -8.890 2.952 1.00 71.11 C ATOM 175 O TYR A 12 0.574 -8.172 1.946 1.00 52.10 O ATOM 176 CB TYR A 12 1.781 -7.758 4.768 1.00 51.11 C ATOM 177 CG TYR A 12 0.605 -7.293 5.605 1.00 64.44 C ATOM 178 CD1 TYR A 12 -0.367 -6.457 5.069 1.00 1.13 C ATOM 179 CD2 TYR A 12 0.483 -7.671 6.933 1.00 22.22 C ATOM 180 CE1 TYR A 12 -1.426 -6.018 5.831 1.00 42.14 C ATOM 181 CE2 TYR A 12 -0.577 -7.234 7.702 1.00 61.14 C ATOM 182 CZ TYR A 12 -1.529 -6.405 7.143 1.00 62.02 C ATOM 183 OH TYR A 12 -2.597 -5.968 7.903 1.00 3.00 O ATOM 0 H TYR A 12 3.180 -8.583 2.739 1.00 31.33 H new ATOM 0 HA TYR A 12 1.315 -9.851 4.652 1.00 31.22 H new ATOM 0 HB2 TYR A 12 2.635 -7.904 5.429 1.00 51.11 H new ATOM 0 HB3 TYR A 12 2.046 -6.959 4.076 1.00 51.11 H new ATOM 0 HD1 TYR A 12 -0.290 -6.147 4.037 1.00 1.13 H new ATOM 0 HD2 TYR A 12 1.228 -8.317 7.373 1.00 22.22 H new ATOM 0 HE1 TYR A 12 -2.174 -5.371 5.397 1.00 42.14 H new ATOM 0 HE2 TYR A 12 -0.661 -7.539 8.735 1.00 61.14 H new ATOM 0 HH TYR A 12 -2.524 -6.332 8.810 1.00 3.00 H new ATOM 193 N ILE A 13 -0.632 -9.577 3.205 1.00 21.41 N ATOM 194 CA ILE A 13 -1.807 -9.557 2.377 1.00 52.21 C ATOM 195 C ILE A 13 -2.944 -8.986 3.195 1.00 14.42 C ATOM 196 O ILE A 13 -3.060 -9.312 4.378 1.00 62.31 O ATOM 197 CB ILE A 13 -2.209 -11.003 1.969 1.00 62.23 C ATOM 198 CG1 ILE A 13 -1.029 -11.732 1.322 1.00 21.04 C ATOM 199 CG2 ILE A 13 -3.416 -10.990 1.026 1.00 51.10 C ATOM 200 CD1 ILE A 13 -1.293 -13.191 1.002 1.00 12.30 C ATOM 0 H ILE A 13 -0.719 -10.187 4.018 1.00 21.41 H new ATOM 0 HA ILE A 13 -1.605 -8.965 1.484 1.00 52.21 H new ATOM 0 HB ILE A 13 -2.491 -11.542 2.874 1.00 62.23 H new ATOM 0 HG12 ILE A 13 -0.758 -11.214 0.402 1.00 21.04 H new ATOM 0 HG13 ILE A 13 -0.169 -11.669 1.989 1.00 21.04 H new ATOM 0 HG21 ILE A 13 -3.677 -12.013 0.755 1.00 51.10 H new ATOM 0 HG22 ILE A 13 -4.263 -10.519 1.525 1.00 51.10 H new ATOM 0 HG23 ILE A 13 -3.168 -10.429 0.125 1.00 51.10 H new ATOM 0 HD11 ILE A 13 -0.405 -13.630 0.547 1.00 12.30 H new ATOM 0 HD12 ILE A 13 -1.533 -13.727 1.920 1.00 12.30 H new ATOM 0 HD13 ILE A 13 -2.131 -13.266 0.309 1.00 12.30 H new ATOM 212 N THR A 14 -3.729 -8.115 2.610 1.00 63.12 N ATOM 213 CA THR A 14 -4.910 -7.632 3.257 1.00 65.31 C ATOM 214 C THR A 14 -5.932 -7.218 2.198 1.00 63.32 C ATOM 215 O THR A 14 -5.573 -6.733 1.106 1.00 41.33 O ATOM 216 CB THR A 14 -4.612 -6.460 4.249 1.00 60.51 C ATOM 217 OG1 THR A 14 -5.795 -6.110 4.997 1.00 43.34 O ATOM 218 CG2 THR A 14 -4.104 -5.231 3.512 1.00 54.20 C ATOM 0 H THR A 14 -3.564 -7.728 1.681 1.00 63.12 H new ATOM 0 HA THR A 14 -5.322 -8.440 3.862 1.00 65.31 H new ATOM 0 HB THR A 14 -3.839 -6.805 4.936 1.00 60.51 H new ATOM 0 HG1 THR A 14 -6.426 -6.860 4.982 1.00 43.34 H new ATOM 0 HG21 THR A 14 -3.906 -4.433 4.228 1.00 54.20 H new ATOM 0 HG22 THR A 14 -3.185 -5.479 2.981 1.00 54.20 H new ATOM 0 HG23 THR A 14 -4.857 -4.898 2.797 1.00 54.20 H new ATOM 226 N THR A 15 -7.167 -7.474 2.477 1.00 11.13 N ATOM 227 CA THR A 15 -8.237 -7.104 1.621 1.00 11.23 C ATOM 228 C THR A 15 -9.048 -6.041 2.351 1.00 23.30 C ATOM 229 O THR A 15 -9.563 -6.287 3.428 1.00 33.14 O ATOM 230 CB THR A 15 -9.105 -8.341 1.326 1.00 51.00 C ATOM 231 OG1 THR A 15 -8.247 -9.403 0.857 1.00 34.42 O ATOM 232 CG2 THR A 15 -10.152 -8.031 0.264 1.00 11.04 C ATOM 0 H THR A 15 -7.463 -7.957 3.325 1.00 11.13 H new ATOM 0 HA THR A 15 -7.872 -6.713 0.671 1.00 11.23 H new ATOM 0 HB THR A 15 -9.622 -8.639 2.238 1.00 51.00 H new ATOM 0 HG1 THR A 15 -8.786 -10.199 0.666 1.00 34.42 H new ATOM 0 HG21 THR A 15 -10.752 -8.921 0.074 1.00 11.04 H new ATOM 0 HG22 THR A 15 -10.798 -7.226 0.614 1.00 11.04 H new ATOM 0 HG23 THR A 15 -9.656 -7.724 -0.657 1.00 11.04 H new ATOM 240 N LEU A 16 -9.184 -4.892 1.767 1.00 11.45 N ATOM 241 CA LEU A 16 -9.810 -3.799 2.445 1.00 23.02 C ATOM 242 C LEU A 16 -11.201 -3.559 1.909 1.00 42.33 C ATOM 243 O LEU A 16 -11.399 -3.316 0.706 1.00 61.54 O ATOM 244 CB LEU A 16 -8.957 -2.520 2.291 1.00 12.22 C ATOM 245 CG LEU A 16 -7.541 -2.543 2.893 1.00 54.21 C ATOM 246 CD1 LEU A 16 -6.862 -1.197 2.692 1.00 31.43 C ATOM 247 CD2 LEU A 16 -7.580 -2.894 4.374 1.00 44.43 C ATOM 0 H LEU A 16 -8.869 -4.685 0.819 1.00 11.45 H new ATOM 0 HA LEU A 16 -9.888 -4.053 3.502 1.00 23.02 H new ATOM 0 HB2 LEU A 16 -8.868 -2.299 1.227 1.00 12.22 H new ATOM 0 HB3 LEU A 16 -9.503 -1.693 2.744 1.00 12.22 H new ATOM 0 HG LEU A 16 -6.967 -3.312 2.377 1.00 54.21 H new ATOM 0 HD11 LEU A 16 -5.861 -1.227 3.122 1.00 31.43 H new ATOM 0 HD12 LEU A 16 -6.792 -0.980 1.626 1.00 31.43 H new ATOM 0 HD13 LEU A 16 -7.445 -0.418 3.183 1.00 31.43 H new ATOM 0 HD21 LEU A 16 -6.566 -2.903 4.773 1.00 44.43 H new ATOM 0 HD22 LEU A 16 -8.173 -2.152 4.908 1.00 44.43 H new ATOM 0 HD23 LEU A 16 -8.029 -3.879 4.503 1.00 44.43 H new ATOM 259 N ASN A 17 -12.170 -3.620 2.795 1.00 61.33 N ATOM 260 CA ASN A 17 -13.544 -3.314 2.450 1.00 23.22 C ATOM 261 C ASN A 17 -13.739 -1.817 2.598 1.00 52.00 C ATOM 262 O ASN A 17 -14.357 -1.323 3.541 1.00 64.32 O ATOM 263 CB ASN A 17 -14.549 -4.097 3.321 1.00 72.22 C ATOM 264 CG ASN A 17 -16.026 -3.826 2.977 1.00 20.11 C ATOM 265 OD1 ASN A 17 -16.338 -3.608 1.712 1.00 43.04 O flip ATOM 266 ND2 ASN A 17 -16.878 -3.853 3.847 1.00 20.13 N flip ATOM 0 H ASN A 17 -12.031 -3.882 3.771 1.00 61.33 H new ATOM 0 HA ASN A 17 -13.736 -3.621 1.422 1.00 23.22 H new ATOM 0 HB2 ASN A 17 -14.352 -5.164 3.214 1.00 72.22 H new ATOM 0 HB3 ASN A 17 -14.379 -3.845 4.368 1.00 72.22 H new ATOM 0 HD21 ASN A 17 -16.611 -4.023 4.817 1.00 20.13 H new ATOM 0 HD22 ASN A 17 -17.858 -3.705 3.606 1.00 20.13 H new ATOM 273 N TYR A 18 -13.084 -1.113 1.728 1.00 2.03 N ATOM 274 CA TYR A 18 -13.097 0.306 1.680 1.00 44.40 C ATOM 275 C TYR A 18 -13.129 0.654 0.214 1.00 43.41 C ATOM 276 O TYR A 18 -12.645 -0.137 -0.599 1.00 3.35 O ATOM 277 CB TYR A 18 -11.806 0.881 2.340 1.00 72.45 C ATOM 278 CG TYR A 18 -11.648 0.640 3.859 1.00 71.41 C ATOM 279 CD1 TYR A 18 -11.237 -0.592 4.374 1.00 33.43 C ATOM 280 CD2 TYR A 18 -11.894 1.655 4.761 1.00 21.45 C ATOM 281 CE1 TYR A 18 -11.091 -0.795 5.738 1.00 53.54 C ATOM 282 CE2 TYR A 18 -11.748 1.460 6.119 1.00 43.44 C ATOM 283 CZ TYR A 18 -11.348 0.241 6.605 1.00 74.24 C ATOM 284 OH TYR A 18 -11.230 0.056 7.971 1.00 74.20 O ATOM 0 H TYR A 18 -12.503 -1.535 1.004 1.00 2.03 H new ATOM 0 HA TYR A 18 -13.948 0.723 2.218 1.00 44.40 H new ATOM 0 HB2 TYR A 18 -10.942 0.451 1.834 1.00 72.45 H new ATOM 0 HB3 TYR A 18 -11.779 1.956 2.159 1.00 72.45 H new ATOM 0 HD1 TYR A 18 -11.028 -1.405 3.694 1.00 33.43 H new ATOM 0 HD2 TYR A 18 -12.207 2.622 4.396 1.00 21.45 H new ATOM 0 HE1 TYR A 18 -10.779 -1.757 6.116 1.00 53.54 H new ATOM 0 HE2 TYR A 18 -11.950 2.271 6.803 1.00 43.44 H new ATOM 0 HH TYR A 18 -10.358 -0.343 8.173 1.00 74.20 H new ATOM 294 N ASN A 19 -13.660 1.808 -0.112 1.00 51.22 N ATOM 295 CA ASN A 19 -13.829 2.238 -1.488 1.00 50.14 C ATOM 296 C ASN A 19 -12.491 2.532 -2.158 1.00 11.01 C ATOM 297 O ASN A 19 -11.723 3.356 -1.668 1.00 63.13 O ATOM 298 CB ASN A 19 -14.726 3.476 -1.561 1.00 74.20 C ATOM 299 CG ASN A 19 -16.053 3.324 -0.815 1.00 42.41 C ATOM 300 OD1 ASN A 19 -17.035 2.844 -1.370 1.00 12.24 O ATOM 301 ND2 ASN A 19 -16.092 3.773 0.424 1.00 63.13 N ATOM 0 H ASN A 19 -13.992 2.485 0.575 1.00 51.22 H new ATOM 0 HA ASN A 19 -14.304 1.417 -2.025 1.00 50.14 H new ATOM 0 HB2 ASN A 19 -14.185 4.329 -1.151 1.00 74.20 H new ATOM 0 HB3 ASN A 19 -14.932 3.702 -2.607 1.00 74.20 H new ATOM 0 HD21 ASN A 19 -16.961 3.728 0.956 1.00 63.13 H new ATOM 0 HD22 ASN A 19 -15.253 4.166 0.851 1.00 63.13 H new ATOM 308 N PHE A 20 -12.248 1.893 -3.302 1.00 41.30 N ATOM 309 CA PHE A 20 -10.988 2.023 -4.066 1.00 11.32 C ATOM 310 C PHE A 20 -10.528 3.479 -4.297 1.00 13.11 C ATOM 311 O PHE A 20 -9.342 3.789 -4.139 1.00 53.43 O ATOM 312 CB PHE A 20 -11.114 1.263 -5.404 1.00 32.33 C ATOM 313 CG PHE A 20 -9.978 1.480 -6.374 1.00 24.34 C ATOM 314 CD1 PHE A 20 -8.769 0.832 -6.207 1.00 33.03 C ATOM 315 CD2 PHE A 20 -10.133 2.324 -7.465 1.00 11.33 C ATOM 316 CE1 PHE A 20 -7.738 1.020 -7.099 1.00 11.50 C ATOM 317 CE2 PHE A 20 -9.104 2.519 -8.360 1.00 61.32 C ATOM 318 CZ PHE A 20 -7.907 1.865 -8.178 1.00 41.33 C ATOM 0 H PHE A 20 -12.921 1.262 -3.737 1.00 41.30 H new ATOM 0 HA PHE A 20 -10.206 1.577 -3.451 1.00 11.32 H new ATOM 0 HB2 PHE A 20 -11.191 0.197 -5.192 1.00 32.33 H new ATOM 0 HB3 PHE A 20 -12.045 1.561 -5.887 1.00 32.33 H new ATOM 0 HD1 PHE A 20 -8.631 0.169 -5.365 1.00 33.03 H new ATOM 0 HD2 PHE A 20 -11.073 2.835 -7.614 1.00 11.33 H new ATOM 0 HE1 PHE A 20 -6.798 0.507 -6.955 1.00 11.50 H new ATOM 0 HE2 PHE A 20 -9.236 3.183 -9.202 1.00 61.32 H new ATOM 0 HZ PHE A 20 -7.099 2.013 -8.879 1.00 41.33 H new ATOM 328 N ASN A 21 -11.467 4.359 -4.620 1.00 63.23 N ATOM 329 CA ASN A 21 -11.150 5.767 -4.945 1.00 71.32 C ATOM 330 C ASN A 21 -10.403 6.466 -3.800 1.00 52.53 C ATOM 331 O ASN A 21 -9.367 7.092 -4.006 1.00 33.41 O ATOM 332 CB ASN A 21 -12.435 6.543 -5.298 1.00 61.32 C ATOM 333 CG ASN A 21 -12.173 7.995 -5.703 1.00 42.01 C ATOM 334 OD1 ASN A 21 -11.929 8.283 -6.857 1.00 1.35 O ATOM 335 ND2 ASN A 21 -12.273 8.915 -4.766 1.00 32.32 N ATOM 0 H ASN A 21 -12.461 4.134 -4.667 1.00 63.23 H new ATOM 0 HA ASN A 21 -10.489 5.759 -5.812 1.00 71.32 H new ATOM 0 HB2 ASN A 21 -12.947 6.032 -6.114 1.00 61.32 H new ATOM 0 HB3 ASN A 21 -13.107 6.528 -4.440 1.00 61.32 H new ATOM 0 HD21 ASN A 21 -12.145 9.899 -5.002 1.00 32.32 H new ATOM 0 HD22 ASN A 21 -12.479 8.644 -3.805 1.00 32.32 H new ATOM 342 N THR A 22 -10.920 6.334 -2.599 1.00 52.21 N ATOM 343 CA THR A 22 -10.314 6.950 -1.440 1.00 55.23 C ATOM 344 C THR A 22 -8.987 6.274 -1.057 1.00 73.24 C ATOM 345 O THR A 22 -8.057 6.955 -0.598 1.00 12.11 O ATOM 346 CB THR A 22 -11.299 7.080 -0.237 1.00 63.12 C ATOM 347 OG1 THR A 22 -10.645 7.632 0.916 1.00 61.12 O ATOM 348 CG2 THR A 22 -11.922 5.754 0.115 1.00 20.42 C ATOM 0 H THR A 22 -11.766 5.801 -2.399 1.00 52.21 H new ATOM 0 HA THR A 22 -10.069 7.973 -1.726 1.00 55.23 H new ATOM 0 HB THR A 22 -12.091 7.761 -0.549 1.00 63.12 H new ATOM 0 HG1 THR A 22 -10.979 8.539 1.079 1.00 61.12 H new ATOM 0 HG21 THR A 22 -12.602 5.884 0.957 1.00 20.42 H new ATOM 0 HG22 THR A 22 -12.476 5.373 -0.743 1.00 20.42 H new ATOM 0 HG23 THR A 22 -11.140 5.045 0.386 1.00 20.42 H new ATOM 356 N VAL A 23 -8.915 4.943 -1.237 1.00 32.02 N ATOM 357 CA VAL A 23 -7.711 4.163 -0.906 1.00 41.52 C ATOM 358 C VAL A 23 -6.498 4.707 -1.658 1.00 64.20 C ATOM 359 O VAL A 23 -5.422 4.857 -1.079 1.00 45.42 O ATOM 360 CB VAL A 23 -7.878 2.644 -1.238 1.00 21.45 C ATOM 361 CG1 VAL A 23 -6.647 1.853 -0.835 1.00 70.52 C ATOM 362 CG2 VAL A 23 -9.103 2.055 -0.567 1.00 63.41 C ATOM 0 H VAL A 23 -9.681 4.384 -1.612 1.00 32.02 H new ATOM 0 HA VAL A 23 -7.560 4.262 0.169 1.00 41.52 H new ATOM 0 HB VAL A 23 -8.007 2.572 -2.318 1.00 21.45 H new ATOM 0 HG11 VAL A 23 -6.795 0.801 -1.079 1.00 70.52 H new ATOM 0 HG12 VAL A 23 -5.779 2.232 -1.374 1.00 70.52 H new ATOM 0 HG13 VAL A 23 -6.483 1.957 0.237 1.00 70.52 H new ATOM 0 HG21 VAL A 23 -9.185 0.998 -0.822 1.00 63.41 H new ATOM 0 HG22 VAL A 23 -9.012 2.162 0.514 1.00 63.41 H new ATOM 0 HG23 VAL A 23 -9.994 2.581 -0.910 1.00 63.41 H new ATOM 372 N TYR A 24 -6.699 5.046 -2.931 1.00 75.31 N ATOM 373 CA TYR A 24 -5.631 5.580 -3.769 1.00 15.45 C ATOM 374 C TYR A 24 -4.989 6.817 -3.141 1.00 41.14 C ATOM 375 O TYR A 24 -3.760 6.913 -3.057 1.00 34.12 O ATOM 376 CB TYR A 24 -6.153 5.897 -5.186 1.00 44.43 C ATOM 377 CG TYR A 24 -5.154 6.632 -6.074 1.00 42.10 C ATOM 378 CD1 TYR A 24 -3.898 6.101 -6.333 1.00 34.14 C ATOM 379 CD2 TYR A 24 -5.473 7.857 -6.648 1.00 35.14 C ATOM 380 CE1 TYR A 24 -2.993 6.760 -7.129 1.00 13.43 C ATOM 381 CE2 TYR A 24 -4.567 8.524 -7.450 1.00 13.33 C ATOM 382 CZ TYR A 24 -3.327 7.971 -7.682 1.00 74.32 C ATOM 383 OH TYR A 24 -2.420 8.621 -8.483 1.00 12.10 O ATOM 0 H TYR A 24 -7.598 4.959 -3.405 1.00 75.31 H new ATOM 0 HA TYR A 24 -4.861 4.812 -3.848 1.00 15.45 H new ATOM 0 HB2 TYR A 24 -6.436 4.964 -5.673 1.00 44.43 H new ATOM 0 HB3 TYR A 24 -7.057 6.499 -5.101 1.00 44.43 H new ATOM 0 HD1 TYR A 24 -3.627 5.150 -5.900 1.00 34.14 H new ATOM 0 HD2 TYR A 24 -6.443 8.294 -6.464 1.00 35.14 H new ATOM 0 HE1 TYR A 24 -2.022 6.327 -7.319 1.00 13.43 H new ATOM 0 HE2 TYR A 24 -4.830 9.474 -7.892 1.00 13.33 H new ATOM 0 HH TYR A 24 -1.822 7.965 -8.899 1.00 12.10 H new ATOM 393 N ASN A 25 -5.819 7.724 -2.669 1.00 45.51 N ATOM 394 CA ASN A 25 -5.334 8.960 -2.065 1.00 24.30 C ATOM 395 C ASN A 25 -4.591 8.660 -0.787 1.00 63.03 C ATOM 396 O ASN A 25 -3.451 9.088 -0.601 1.00 33.21 O ATOM 397 CB ASN A 25 -6.492 9.892 -1.730 1.00 44.44 C ATOM 398 CG ASN A 25 -6.015 11.271 -1.260 1.00 52.03 C ATOM 399 OD1 ASN A 25 -4.979 11.771 -1.697 1.00 21.44 O ATOM 400 ND2 ASN A 25 -6.748 11.878 -0.357 1.00 22.10 N ATOM 0 H ASN A 25 -6.835 7.634 -2.689 1.00 45.51 H new ATOM 0 HA ASN A 25 -4.672 9.440 -2.786 1.00 24.30 H new ATOM 0 HB2 ASN A 25 -7.126 10.010 -2.609 1.00 44.44 H new ATOM 0 HB3 ASN A 25 -7.107 9.439 -0.952 1.00 44.44 H new ATOM 0 HD21 ASN A 25 -6.464 12.790 0.002 1.00 22.10 H new ATOM 0 HD22 ASN A 25 -7.602 11.438 -0.014 1.00 22.10 H new ATOM 407 N ALA A 26 -5.230 7.865 0.052 1.00 5.35 N ATOM 408 CA ALA A 26 -4.723 7.555 1.385 1.00 62.32 C ATOM 409 C ALA A 26 -3.359 6.874 1.335 1.00 32.33 C ATOM 410 O ALA A 26 -2.432 7.279 2.049 1.00 21.13 O ATOM 411 CB ALA A 26 -5.725 6.694 2.137 1.00 41.31 C ATOM 0 H ALA A 26 -6.117 7.413 -0.168 1.00 5.35 H new ATOM 0 HA ALA A 26 -4.591 8.497 1.917 1.00 62.32 H new ATOM 0 HB1 ALA A 26 -5.337 6.468 3.130 1.00 41.31 H new ATOM 0 HB2 ALA A 26 -6.669 7.231 2.229 1.00 41.31 H new ATOM 0 HB3 ALA A 26 -5.888 5.765 1.591 1.00 41.31 H new ATOM 417 N THR A 27 -3.227 5.887 0.474 1.00 53.50 N ATOM 418 CA THR A 27 -1.985 5.167 0.312 1.00 44.21 C ATOM 419 C THR A 27 -0.886 6.088 -0.223 1.00 64.15 C ATOM 420 O THR A 27 0.247 6.087 0.294 1.00 13.34 O ATOM 421 CB THR A 27 -2.177 3.990 -0.651 1.00 23.01 C ATOM 422 OG1 THR A 27 -3.263 3.180 -0.192 1.00 73.25 O ATOM 423 CG2 THR A 27 -0.913 3.142 -0.746 1.00 13.00 C ATOM 0 H THR A 27 -3.980 5.562 -0.133 1.00 53.50 H new ATOM 0 HA THR A 27 -1.684 4.792 1.290 1.00 44.21 H new ATOM 0 HB THR A 27 -2.395 4.386 -1.643 1.00 23.01 H new ATOM 0 HG1 THR A 27 -3.493 2.520 -0.880 1.00 73.25 H new ATOM 0 HG21 THR A 27 -1.081 2.315 -1.436 1.00 13.00 H new ATOM 0 HG22 THR A 27 -0.089 3.756 -1.109 1.00 13.00 H new ATOM 0 HG23 THR A 27 -0.665 2.747 0.239 1.00 13.00 H new ATOM 431 N LEU A 28 -1.231 6.898 -1.226 1.00 41.25 N ATOM 432 CA LEU A 28 -0.271 7.790 -1.847 1.00 13.20 C ATOM 433 C LEU A 28 0.285 8.774 -0.824 1.00 72.34 C ATOM 434 O LEU A 28 1.471 8.862 -0.653 1.00 53.24 O ATOM 435 CB LEU A 28 -0.917 8.541 -3.022 1.00 13.14 C ATOM 436 CG LEU A 28 -0.016 9.516 -3.793 1.00 2.11 C ATOM 437 CD1 LEU A 28 1.149 8.785 -4.451 1.00 43.14 C ATOM 438 CD2 LEU A 28 -0.824 10.280 -4.830 1.00 25.32 C ATOM 0 H LEU A 28 -2.170 6.949 -1.620 1.00 41.25 H new ATOM 0 HA LEU A 28 0.555 7.192 -2.232 1.00 13.20 H new ATOM 0 HB2 LEU A 28 -1.303 7.804 -3.726 1.00 13.14 H new ATOM 0 HB3 LEU A 28 -1.774 9.097 -2.641 1.00 13.14 H new ATOM 0 HG LEU A 28 0.397 10.230 -3.080 1.00 2.11 H new ATOM 0 HD11 LEU A 28 1.770 9.501 -4.990 1.00 43.14 H new ATOM 0 HD12 LEU A 28 1.747 8.290 -3.686 1.00 43.14 H new ATOM 0 HD13 LEU A 28 0.764 8.041 -5.149 1.00 43.14 H new ATOM 0 HD21 LEU A 28 -0.170 10.967 -5.367 1.00 25.32 H new ATOM 0 HD22 LEU A 28 -1.269 9.577 -5.534 1.00 25.32 H new ATOM 0 HD23 LEU A 28 -1.613 10.845 -4.333 1.00 25.32 H new ATOM 450 N GLN A 29 -0.590 9.443 -0.105 1.00 74.11 N ATOM 451 CA GLN A 29 -0.202 10.406 0.926 1.00 75.53 C ATOM 452 C GLN A 29 0.619 9.747 2.034 1.00 52.41 C ATOM 453 O GLN A 29 1.555 10.343 2.554 1.00 33.12 O ATOM 454 CB GLN A 29 -1.426 11.064 1.551 1.00 60.14 C ATOM 455 CG GLN A 29 -2.389 11.698 0.561 1.00 5.43 C ATOM 456 CD GLN A 29 -1.750 12.702 -0.377 1.00 1.13 C ATOM 457 OE1 GLN A 29 -0.755 13.339 -0.054 1.00 72.31 O ATOM 458 NE2 GLN A 29 -2.343 12.872 -1.530 1.00 11.31 N ATOM 0 H GLN A 29 -1.599 9.340 -0.213 1.00 74.11 H new ATOM 0 HA GLN A 29 0.408 11.161 0.431 1.00 75.53 H new ATOM 0 HB2 GLN A 29 -1.966 10.316 2.132 1.00 60.14 H new ATOM 0 HB3 GLN A 29 -1.091 11.830 2.251 1.00 60.14 H new ATOM 0 HG2 GLN A 29 -2.853 10.910 -0.031 1.00 5.43 H new ATOM 0 HG3 GLN A 29 -3.187 12.193 1.115 1.00 5.43 H new ATOM 0 HE21 GLN A 29 -3.170 12.323 -1.764 1.00 11.31 H new ATOM 0 HE22 GLN A 29 -1.978 13.554 -2.195 1.00 11.31 H new ATOM 467 N ALA A 30 0.255 8.525 2.399 1.00 3.32 N ATOM 468 CA ALA A 30 0.953 7.777 3.431 1.00 61.43 C ATOM 469 C ALA A 30 2.422 7.608 3.085 1.00 20.10 C ATOM 470 O ALA A 30 3.284 7.764 3.929 1.00 70.33 O ATOM 471 CB ALA A 30 0.299 6.426 3.656 1.00 63.20 C ATOM 0 H ALA A 30 -0.533 8.026 1.987 1.00 3.32 H new ATOM 0 HA ALA A 30 0.887 8.348 4.357 1.00 61.43 H new ATOM 0 HB1 ALA A 30 0.839 5.885 4.433 1.00 63.20 H new ATOM 0 HB2 ALA A 30 -0.736 6.570 3.967 1.00 63.20 H new ATOM 0 HB3 ALA A 30 0.323 5.851 2.730 1.00 63.20 H new ATOM 477 N ILE A 31 2.708 7.306 1.857 1.00 73.40 N ATOM 478 CA ILE A 31 4.083 7.177 1.459 1.00 74.23 C ATOM 479 C ILE A 31 4.700 8.525 1.058 1.00 52.23 C ATOM 480 O ILE A 31 5.779 8.870 1.512 1.00 41.33 O ATOM 481 CB ILE A 31 4.292 6.083 0.382 1.00 53.31 C ATOM 482 CG1 ILE A 31 5.753 6.011 -0.044 1.00 2.01 C ATOM 483 CG2 ILE A 31 3.370 6.273 -0.823 1.00 15.50 C ATOM 484 CD1 ILE A 31 6.040 4.852 -0.922 1.00 14.51 C ATOM 0 H ILE A 31 2.022 7.145 1.119 1.00 73.40 H new ATOM 0 HA ILE A 31 4.628 6.838 2.340 1.00 74.23 H new ATOM 0 HB ILE A 31 4.023 5.129 0.836 1.00 53.31 H new ATOM 0 HG12 ILE A 31 6.020 6.930 -0.565 1.00 2.01 H new ATOM 0 HG13 ILE A 31 6.383 5.953 0.844 1.00 2.01 H new ATOM 0 HG21 ILE A 31 3.554 5.482 -1.550 1.00 15.50 H new ATOM 0 HG22 ILE A 31 2.331 6.231 -0.496 1.00 15.50 H new ATOM 0 HG23 ILE A 31 3.567 7.241 -1.283 1.00 15.50 H new ATOM 0 HD11 ILE A 31 7.096 4.853 -1.193 1.00 14.51 H new ATOM 0 HD12 ILE A 31 5.802 3.928 -0.395 1.00 14.51 H new ATOM 0 HD13 ILE A 31 5.434 4.921 -1.825 1.00 14.51 H new ATOM 496 N GLN A 32 3.957 9.300 0.295 1.00 51.21 N ATOM 497 CA GLN A 32 4.401 10.579 -0.266 1.00 41.41 C ATOM 498 C GLN A 32 4.802 11.581 0.827 1.00 12.32 C ATOM 499 O GLN A 32 5.769 12.308 0.685 1.00 23.33 O ATOM 500 CB GLN A 32 3.268 11.155 -1.117 1.00 71.45 C ATOM 501 CG GLN A 32 3.637 12.325 -1.985 1.00 30.31 C ATOM 502 CD GLN A 32 2.468 12.847 -2.810 1.00 3.42 C ATOM 503 OE1 GLN A 32 1.276 12.798 -2.263 1.00 62.35 O flip ATOM 504 NE2 GLN A 32 2.644 13.333 -3.914 1.00 54.15 N flip ATOM 0 H GLN A 32 3.000 9.060 0.035 1.00 51.21 H new ATOM 0 HA GLN A 32 5.287 10.402 -0.875 1.00 41.41 H new ATOM 0 HB2 GLN A 32 2.877 10.362 -1.754 1.00 71.45 H new ATOM 0 HB3 GLN A 32 2.458 11.459 -0.454 1.00 71.45 H new ATOM 0 HG2 GLN A 32 4.019 13.130 -1.357 1.00 30.31 H new ATOM 0 HG3 GLN A 32 4.445 12.032 -2.655 1.00 30.31 H new ATOM 0 HE21 GLN A 32 3.581 13.359 -4.316 1.00 54.15 H new ATOM 0 HE22 GLN A 32 1.854 13.714 -4.435 1.00 54.15 H new ATOM 513 N ASN A 33 4.062 11.586 1.924 1.00 33.13 N ATOM 514 CA ASN A 33 4.321 12.528 3.017 1.00 24.31 C ATOM 515 C ASN A 33 5.259 11.881 4.058 1.00 11.22 C ATOM 516 O ASN A 33 5.584 12.471 5.075 1.00 3.41 O ATOM 517 CB ASN A 33 2.977 12.967 3.661 1.00 54.40 C ATOM 518 CG ASN A 33 3.080 14.156 4.626 1.00 74.32 C ATOM 519 OD1 ASN A 33 2.977 15.304 4.219 1.00 31.20 O ATOM 520 ND2 ASN A 33 3.248 13.893 5.901 1.00 64.23 N ATOM 0 H ASN A 33 3.279 10.954 2.087 1.00 33.13 H new ATOM 0 HA ASN A 33 4.816 13.417 2.625 1.00 24.31 H new ATOM 0 HB2 ASN A 33 2.277 13.223 2.866 1.00 54.40 H new ATOM 0 HB3 ASN A 33 2.554 12.118 4.198 1.00 54.40 H new ATOM 0 HD21 ASN A 33 3.295 14.655 6.577 1.00 64.23 H new ATOM 0 HD22 ASN A 33 3.331 12.926 6.216 1.00 64.23 H new ATOM 527 N GLY A 34 5.704 10.660 3.766 1.00 42.23 N ATOM 528 CA GLY A 34 6.596 9.940 4.666 1.00 25.14 C ATOM 529 C GLY A 34 5.925 9.542 5.967 1.00 73.51 C ATOM 530 O GLY A 34 6.463 9.758 7.041 1.00 21.23 O ATOM 0 H GLY A 34 5.461 10.152 2.916 1.00 42.23 H new ATOM 0 HA2 GLY A 34 6.965 9.045 4.165 1.00 25.14 H new ATOM 0 HA3 GLY A 34 7.463 10.563 4.886 1.00 25.14 H new ATOM 534 N GLN A 35 4.751 8.953 5.866 1.00 13.30 N ATOM 535 CA GLN A 35 4.002 8.554 7.045 1.00 2.50 C ATOM 536 C GLN A 35 4.250 7.073 7.361 1.00 11.41 C ATOM 537 O GLN A 35 3.984 6.610 8.461 1.00 40.04 O ATOM 538 CB GLN A 35 2.494 8.813 6.854 1.00 24.40 C ATOM 539 CG GLN A 35 2.141 10.237 6.446 1.00 65.20 C ATOM 540 CD GLN A 35 0.648 10.496 6.447 1.00 21.33 C ATOM 541 OE1 GLN A 35 0.026 10.363 5.310 1.00 34.43 O flip ATOM 542 NE2 GLN A 35 0.074 10.870 7.452 1.00 52.24 N flip ATOM 0 H GLN A 35 4.293 8.739 4.980 1.00 13.30 H new ATOM 0 HA GLN A 35 4.348 9.156 7.885 1.00 2.50 H new ATOM 0 HB2 GLN A 35 2.114 8.127 6.096 1.00 24.40 H new ATOM 0 HB3 GLN A 35 1.978 8.577 7.785 1.00 24.40 H new ATOM 0 HG2 GLN A 35 2.627 10.936 7.127 1.00 65.20 H new ATOM 0 HG3 GLN A 35 2.538 10.434 5.450 1.00 65.20 H new ATOM 0 HE21 GLN A 35 0.588 10.964 8.328 1.00 52.24 H new ATOM 0 HE22 GLN A 35 -0.922 11.089 7.419 1.00 52.24 H new ATOM 551 N THR A 36 4.761 6.344 6.393 1.00 52.21 N ATOM 552 CA THR A 36 5.036 4.938 6.577 1.00 30.41 C ATOM 553 C THR A 36 6.528 4.759 6.835 1.00 24.22 C ATOM 554 O THR A 36 7.362 5.464 6.245 1.00 55.30 O ATOM 555 CB THR A 36 4.554 4.076 5.361 1.00 15.44 C ATOM 556 OG1 THR A 36 4.844 2.686 5.576 1.00 1.45 O ATOM 557 CG2 THR A 36 5.196 4.534 4.055 1.00 24.32 C ATOM 0 H THR A 36 4.995 6.704 5.468 1.00 52.21 H new ATOM 0 HA THR A 36 4.472 4.579 7.438 1.00 30.41 H new ATOM 0 HB THR A 36 3.476 4.212 5.280 1.00 15.44 H new ATOM 0 HG1 THR A 36 4.534 2.164 4.807 1.00 1.45 H new ATOM 0 HG21 THR A 36 4.837 3.912 3.235 1.00 24.32 H new ATOM 0 HG22 THR A 36 4.931 5.574 3.864 1.00 24.32 H new ATOM 0 HG23 THR A 36 6.280 4.444 4.131 1.00 24.32 H new ATOM 565 N PHE A 37 6.868 3.838 7.708 1.00 22.12 N ATOM 566 CA PHE A 37 8.223 3.715 8.149 1.00 61.32 C ATOM 567 C PHE A 37 8.857 2.384 7.786 1.00 12.30 C ATOM 568 O PHE A 37 8.282 1.313 7.985 1.00 23.03 O ATOM 569 CB PHE A 37 8.325 3.960 9.662 1.00 21.34 C ATOM 570 CG PHE A 37 7.843 5.323 10.093 1.00 1.44 C ATOM 571 CD1 PHE A 37 8.645 6.437 9.927 1.00 51.43 C ATOM 572 CD2 PHE A 37 6.588 5.486 10.663 1.00 31.45 C ATOM 573 CE1 PHE A 37 8.210 7.690 10.316 1.00 52.32 C ATOM 574 CE2 PHE A 37 6.147 6.736 11.055 1.00 33.55 C ATOM 575 CZ PHE A 37 6.959 7.838 10.881 1.00 13.42 C ATOM 0 H PHE A 37 6.220 3.168 8.121 1.00 22.12 H new ATOM 0 HA PHE A 37 8.786 4.482 7.617 1.00 61.32 H new ATOM 0 HB2 PHE A 37 7.745 3.198 10.184 1.00 21.34 H new ATOM 0 HB3 PHE A 37 9.363 3.838 9.971 1.00 21.34 H new ATOM 0 HD1 PHE A 37 9.625 6.327 9.487 1.00 51.43 H new ATOM 0 HD2 PHE A 37 5.949 4.627 10.802 1.00 31.45 H new ATOM 0 HE1 PHE A 37 8.847 8.551 10.178 1.00 52.32 H new ATOM 0 HE2 PHE A 37 5.168 6.850 11.497 1.00 33.55 H new ATOM 0 HZ PHE A 37 6.616 8.816 11.187 1.00 13.42 H new ATOM 585 N ASP A 38 10.016 2.498 7.199 1.00 61.23 N ATOM 586 CA ASP A 38 10.925 1.386 6.915 1.00 42.10 C ATOM 587 C ASP A 38 11.894 1.302 8.117 1.00 65.14 C ATOM 588 O ASP A 38 11.802 2.136 9.019 1.00 72.13 O ATOM 589 CB ASP A 38 11.693 1.680 5.598 1.00 4.23 C ATOM 590 CG ASP A 38 12.659 0.585 5.175 1.00 22.33 C ATOM 591 OD1 ASP A 38 12.227 -0.392 4.560 1.00 3.31 O ATOM 592 OD2 ASP A 38 13.871 0.702 5.462 1.00 31.53 O ATOM 0 H ASP A 38 10.382 3.398 6.887 1.00 61.23 H new ATOM 0 HA ASP A 38 10.397 0.442 6.785 1.00 42.10 H new ATOM 0 HB2 ASP A 38 10.970 1.838 4.798 1.00 4.23 H new ATOM 0 HB3 ASP A 38 12.247 2.611 5.715 1.00 4.23 H new ATOM 597 N TYR A 39 12.806 0.348 8.152 1.00 44.51 N ATOM 598 CA TYR A 39 13.738 0.225 9.291 1.00 51.04 C ATOM 599 C TYR A 39 14.731 1.413 9.329 1.00 12.11 C ATOM 600 O TYR A 39 15.192 1.814 10.382 1.00 15.14 O ATOM 601 CB TYR A 39 14.458 -1.130 9.239 1.00 34.21 C ATOM 602 CG TYR A 39 15.397 -1.412 10.398 1.00 32.21 C ATOM 603 CD1 TYR A 39 14.904 -1.831 11.627 1.00 24.14 C ATOM 604 CD2 TYR A 39 16.775 -1.277 10.256 1.00 53.13 C ATOM 605 CE1 TYR A 39 15.756 -2.104 12.681 1.00 35.25 C ATOM 606 CE2 TYR A 39 17.630 -1.546 11.305 1.00 71.22 C ATOM 607 CZ TYR A 39 17.116 -1.959 12.515 1.00 71.45 C ATOM 608 OH TYR A 39 17.966 -2.236 13.564 1.00 41.43 O ATOM 0 H TYR A 39 12.932 -0.352 7.421 1.00 44.51 H new ATOM 0 HA TYR A 39 13.168 0.263 10.219 1.00 51.04 H new ATOM 0 HB2 TYR A 39 13.708 -1.920 9.200 1.00 34.21 H new ATOM 0 HB3 TYR A 39 15.027 -1.185 8.311 1.00 34.21 H new ATOM 0 HD1 TYR A 39 13.839 -1.945 11.761 1.00 24.14 H new ATOM 0 HD2 TYR A 39 17.182 -0.956 9.308 1.00 53.13 H new ATOM 0 HE1 TYR A 39 15.357 -2.430 13.630 1.00 35.25 H new ATOM 0 HE2 TYR A 39 18.697 -1.433 11.178 1.00 71.22 H new ATOM 0 HH TYR A 39 18.893 -2.085 13.283 1.00 41.43 H new ATOM 618 N LYS A 40 15.011 1.981 8.170 1.00 53.32 N ATOM 619 CA LYS A 40 15.812 3.231 8.077 1.00 21.24 C ATOM 620 C LYS A 40 14.839 4.371 7.818 1.00 23.12 C ATOM 621 O LYS A 40 15.209 5.503 7.586 1.00 63.52 O ATOM 622 CB LYS A 40 16.779 3.144 6.905 1.00 33.32 C ATOM 623 CG LYS A 40 16.071 2.704 5.658 1.00 74.12 C ATOM 624 CD LYS A 40 16.873 2.846 4.420 1.00 64.41 C ATOM 625 CE LYS A 40 16.171 2.147 3.280 1.00 63.11 C ATOM 626 NZ LYS A 40 15.863 0.726 3.619 1.00 5.32 N ATOM 0 H LYS A 40 14.705 1.612 7.270 1.00 53.32 H new ATOM 0 HA LYS A 40 16.379 3.386 8.995 1.00 21.24 H new ATOM 0 HB2 LYS A 40 17.245 4.116 6.740 1.00 33.32 H new ATOM 0 HB3 LYS A 40 17.579 2.443 7.140 1.00 33.32 H new ATOM 0 HG2 LYS A 40 15.778 1.660 5.770 1.00 74.12 H new ATOM 0 HG3 LYS A 40 15.154 3.283 5.551 1.00 74.12 H new ATOM 0 HD2 LYS A 40 17.012 3.901 4.183 1.00 64.41 H new ATOM 0 HD3 LYS A 40 17.865 2.419 4.566 1.00 64.41 H new ATOM 0 HE2 LYS A 40 15.247 2.674 3.042 1.00 63.11 H new ATOM 0 HE3 LYS A 40 16.797 2.182 2.389 1.00 63.11 H new ATOM 0 HZ1 LYS A 40 15.753 0.176 2.743 1.00 5.32 H new ATOM 0 HZ2 LYS A 40 16.641 0.327 4.183 1.00 5.32 H new ATOM 0 HZ3 LYS A 40 14.981 0.683 4.168 1.00 5.32 H new ATOM 640 N SER A 41 13.597 3.986 7.857 1.00 15.40 N ATOM 641 CA SER A 41 12.423 4.784 7.628 1.00 63.02 C ATOM 642 C SER A 41 12.370 5.509 6.262 1.00 41.11 C ATOM 643 O SER A 41 11.554 6.400 6.072 1.00 42.54 O ATOM 644 CB SER A 41 12.236 5.728 8.808 1.00 43.50 C ATOM 645 OG SER A 41 11.980 4.979 9.995 1.00 31.33 O ATOM 0 H SER A 41 13.356 3.018 8.069 1.00 15.40 H new ATOM 0 HA SER A 41 11.577 4.100 7.562 1.00 63.02 H new ATOM 0 HB2 SER A 41 13.128 6.340 8.940 1.00 43.50 H new ATOM 0 HB3 SER A 41 11.408 6.409 8.612 1.00 43.50 H new ATOM 0 HG SER A 41 11.904 4.028 9.772 1.00 31.33 H new ATOM 651 N ASN A 42 13.142 5.047 5.277 1.00 23.44 N ATOM 652 CA ASN A 42 12.957 5.553 3.928 1.00 12.14 C ATOM 653 C ASN A 42 12.395 4.461 3.037 1.00 42.21 C ATOM 654 O ASN A 42 13.056 3.442 2.829 1.00 72.15 O ATOM 655 CB ASN A 42 14.279 5.999 3.294 1.00 71.34 C ATOM 656 CG ASN A 42 15.028 7.074 4.036 1.00 64.30 C ATOM 657 OD1 ASN A 42 14.450 7.907 4.724 1.00 52.43 O ATOM 658 ND2 ASN A 42 16.324 7.076 3.867 1.00 51.44 N ATOM 0 H ASN A 42 13.876 4.347 5.386 1.00 23.44 H new ATOM 0 HA ASN A 42 12.279 6.403 4.007 1.00 12.14 H new ATOM 0 HB2 ASN A 42 14.928 5.128 3.200 1.00 71.34 H new ATOM 0 HB3 ASN A 42 14.075 6.355 2.284 1.00 71.34 H new ATOM 0 HD21 ASN A 42 16.896 7.791 4.317 1.00 51.44 H new ATOM 0 HD22 ASN A 42 16.764 6.363 3.285 1.00 51.44 H new ATOM 665 N PRO A 43 11.173 4.604 2.541 1.00 4.35 N ATOM 666 CA PRO A 43 10.680 3.801 1.415 1.00 22.15 C ATOM 667 C PRO A 43 9.902 4.666 0.375 1.00 14.41 C ATOM 668 O PRO A 43 9.174 4.147 -0.449 1.00 24.02 O ATOM 669 CB PRO A 43 9.647 2.982 2.196 1.00 5.02 C ATOM 670 CG PRO A 43 9.084 3.975 3.231 1.00 21.42 C ATOM 671 CD PRO A 43 10.042 5.173 3.258 1.00 42.51 C ATOM 0 HA PRO A 43 11.453 3.278 0.852 1.00 22.15 H new ATOM 0 HB2 PRO A 43 8.863 2.601 1.542 1.00 5.02 H new ATOM 0 HB3 PRO A 43 10.105 2.119 2.680 1.00 5.02 H new ATOM 0 HG2 PRO A 43 8.077 4.290 2.957 1.00 21.42 H new ATOM 0 HG3 PRO A 43 9.016 3.511 4.215 1.00 21.42 H new ATOM 0 HD2 PRO A 43 9.629 6.049 2.758 1.00 42.51 H new ATOM 0 HD3 PRO A 43 10.301 5.477 4.272 1.00 42.51 H new ATOM 679 N TYR A 44 10.111 5.965 0.413 1.00 3.45 N ATOM 680 CA TYR A 44 9.138 6.893 -0.138 1.00 22.43 C ATOM 681 C TYR A 44 9.313 7.468 -1.530 1.00 54.32 C ATOM 682 O TYR A 44 8.421 8.199 -1.964 1.00 24.21 O ATOM 683 CB TYR A 44 8.767 7.978 0.857 1.00 14.52 C ATOM 684 CG TYR A 44 9.894 8.938 1.225 1.00 43.01 C ATOM 685 CD1 TYR A 44 10.800 8.640 2.241 1.00 42.15 C ATOM 686 CD2 TYR A 44 10.046 10.144 0.551 1.00 73.03 C ATOM 687 CE1 TYR A 44 11.820 9.515 2.567 1.00 72.22 C ATOM 688 CE2 TYR A 44 11.061 11.021 0.871 1.00 63.50 C ATOM 689 CZ TYR A 44 11.945 10.702 1.880 1.00 44.55 C ATOM 690 OH TYR A 44 12.957 11.576 2.197 1.00 41.03 O ATOM 0 H TYR A 44 10.939 6.403 0.816 1.00 3.45 H new ATOM 0 HA TYR A 44 8.315 6.200 -0.315 1.00 22.43 H new ATOM 0 HB2 TYR A 44 7.939 8.556 0.447 1.00 14.52 H new ATOM 0 HB3 TYR A 44 8.404 7.503 1.769 1.00 14.52 H new ATOM 0 HD1 TYR A 44 10.704 7.711 2.783 1.00 42.15 H new ATOM 0 HD2 TYR A 44 9.355 10.399 -0.239 1.00 73.03 H new ATOM 0 HE1 TYR A 44 12.515 9.269 3.356 1.00 72.22 H new ATOM 0 HE2 TYR A 44 11.163 11.953 0.334 1.00 63.50 H new ATOM 0 HH TYR A 44 12.903 12.364 1.617 1.00 41.03 H new ATOM 700 N ASP A 45 10.380 7.209 -2.231 1.00 3.50 N ATOM 701 CA ASP A 45 10.531 7.936 -3.506 1.00 3.41 C ATOM 702 C ASP A 45 9.683 7.296 -4.575 1.00 11.11 C ATOM 703 O ASP A 45 9.976 6.205 -5.026 1.00 21.01 O ATOM 704 CB ASP A 45 11.992 7.991 -3.958 1.00 62.42 C ATOM 705 CG ASP A 45 12.142 8.600 -5.347 1.00 15.31 C ATOM 706 OD1 ASP A 45 12.119 9.840 -5.449 1.00 31.51 O ATOM 707 OD2 ASP A 45 12.269 7.829 -6.331 1.00 33.34 O ATOM 0 H ASP A 45 11.122 6.553 -1.986 1.00 3.50 H new ATOM 0 HA ASP A 45 10.194 8.960 -3.343 1.00 3.41 H new ATOM 0 HB2 ASP A 45 12.570 8.576 -3.242 1.00 62.42 H new ATOM 0 HB3 ASP A 45 12.409 6.984 -3.958 1.00 62.42 H new ATOM 712 N ILE A 46 8.633 8.009 -4.975 1.00 41.22 N ATOM 713 CA ILE A 46 7.634 7.495 -5.897 1.00 73.25 C ATOM 714 C ILE A 46 8.248 7.399 -7.293 1.00 54.34 C ATOM 715 O ILE A 46 8.411 8.409 -7.969 1.00 41.15 O ATOM 716 CB ILE A 46 6.386 8.452 -5.986 1.00 52.13 C ATOM 717 CG1 ILE A 46 5.827 8.879 -4.585 1.00 33.11 C ATOM 718 CG2 ILE A 46 5.276 7.810 -6.825 1.00 51.32 C ATOM 719 CD1 ILE A 46 5.122 7.796 -3.771 1.00 25.33 C ATOM 0 H ILE A 46 8.454 8.964 -4.665 1.00 41.22 H new ATOM 0 HA ILE A 46 7.312 6.520 -5.533 1.00 73.25 H new ATOM 0 HB ILE A 46 6.735 9.363 -6.472 1.00 52.13 H new ATOM 0 HG12 ILE A 46 6.655 9.266 -3.991 1.00 33.11 H new ATOM 0 HG13 ILE A 46 5.129 9.703 -4.733 1.00 33.11 H new ATOM 0 HG21 ILE A 46 4.422 8.485 -6.876 1.00 51.32 H new ATOM 0 HG22 ILE A 46 5.646 7.617 -7.832 1.00 51.32 H new ATOM 0 HG23 ILE A 46 4.969 6.871 -6.365 1.00 51.32 H new ATOM 0 HD11 ILE A 46 4.782 8.216 -2.824 1.00 25.33 H new ATOM 0 HD12 ILE A 46 4.265 7.420 -4.330 1.00 25.33 H new ATOM 0 HD13 ILE A 46 5.815 6.978 -3.577 1.00 25.33 H new ATOM 731 N SER A 47 8.546 6.201 -7.730 1.00 55.42 N ATOM 732 CA SER A 47 9.159 6.029 -9.014 1.00 3.15 C ATOM 733 C SER A 47 8.088 5.757 -10.082 1.00 74.21 C ATOM 734 O SER A 47 8.247 6.130 -11.241 1.00 14.02 O ATOM 735 CB SER A 47 10.136 4.865 -8.926 1.00 23.32 C ATOM 736 OG SER A 47 10.968 4.985 -7.777 1.00 4.51 O ATOM 0 H SER A 47 8.373 5.337 -7.215 1.00 55.42 H new ATOM 0 HA SER A 47 9.692 6.936 -9.300 1.00 3.15 H new ATOM 0 HB2 SER A 47 9.585 3.925 -8.884 1.00 23.32 H new ATOM 0 HB3 SER A 47 10.752 4.834 -9.824 1.00 23.32 H new ATOM 0 HG SER A 47 11.882 4.717 -8.006 1.00 4.51 H new ATOM 742 N VAL A 48 6.975 5.121 -9.685 1.00 1.54 N ATOM 743 CA VAL A 48 5.839 4.963 -10.583 1.00 22.44 C ATOM 744 C VAL A 48 4.566 5.148 -9.789 1.00 53.23 C ATOM 745 O VAL A 48 4.379 4.532 -8.734 1.00 72.13 O ATOM 746 CB VAL A 48 5.775 3.520 -11.233 1.00 2.55 C ATOM 747 CG1 VAL A 48 4.543 3.356 -12.139 1.00 44.42 C ATOM 748 CG2 VAL A 48 7.045 3.181 -12.008 1.00 4.22 C ATOM 0 H VAL A 48 6.845 4.715 -8.758 1.00 1.54 H new ATOM 0 HA VAL A 48 5.950 5.701 -11.377 1.00 22.44 H new ATOM 0 HB VAL A 48 5.688 2.817 -10.404 1.00 2.55 H new ATOM 0 HG11 VAL A 48 4.536 2.353 -12.565 1.00 44.42 H new ATOM 0 HG12 VAL A 48 3.637 3.507 -11.552 1.00 44.42 H new ATOM 0 HG13 VAL A 48 4.582 4.092 -12.942 1.00 44.42 H new ATOM 0 HG21 VAL A 48 6.955 2.182 -12.436 1.00 4.22 H new ATOM 0 HG22 VAL A 48 7.187 3.907 -12.809 1.00 4.22 H new ATOM 0 HG23 VAL A 48 7.901 3.211 -11.334 1.00 4.22 H new ATOM 758 N ASN A 49 3.733 6.005 -10.274 1.00 64.33 N ATOM 759 CA ASN A 49 2.391 6.182 -9.805 1.00 61.13 C ATOM 760 C ASN A 49 1.487 5.942 -10.979 1.00 65.43 C ATOM 761 O ASN A 49 1.551 6.715 -11.938 1.00 25.23 O ATOM 762 CB ASN A 49 2.193 7.592 -9.226 1.00 23.43 C ATOM 763 CG ASN A 49 0.746 7.896 -8.849 1.00 73.03 C ATOM 764 OD1 ASN A 49 -0.029 7.004 -8.518 1.00 53.33 O ATOM 765 ND2 ASN A 49 0.376 9.156 -8.885 1.00 52.52 N ATOM 0 H ASN A 49 3.975 6.631 -11.042 1.00 64.33 H new ATOM 0 HA ASN A 49 2.165 5.484 -8.999 1.00 61.13 H new ATOM 0 HB2 ASN A 49 2.822 7.705 -8.343 1.00 23.43 H new ATOM 0 HB3 ASN A 49 2.532 8.327 -9.956 1.00 23.43 H new ATOM 0 HD21 ASN A 49 -0.578 9.415 -8.634 1.00 52.52 H new ATOM 0 HD22 ASN A 49 1.043 9.876 -9.164 1.00 52.52 H new ATOM 772 N LYS A 50 0.691 4.918 -10.984 1.00 51.23 N ATOM 773 CA LYS A 50 -0.174 4.754 -12.082 1.00 52.40 C ATOM 774 C LYS A 50 -1.527 4.239 -11.716 1.00 12.44 C ATOM 775 O LYS A 50 -1.686 3.460 -10.767 1.00 10.02 O ATOM 776 CB LYS A 50 0.470 3.947 -13.207 1.00 52.12 C ATOM 777 CG LYS A 50 1.154 2.652 -12.823 1.00 42.54 C ATOM 778 CD LYS A 50 0.157 1.560 -12.563 1.00 15.32 C ATOM 779 CE LYS A 50 0.819 0.266 -12.204 1.00 44.24 C ATOM 780 NZ LYS A 50 -0.179 -0.841 -12.036 1.00 15.24 N ATOM 0 H LYS A 50 0.630 4.207 -10.255 1.00 51.23 H new ATOM 0 HA LYS A 50 -0.347 5.760 -12.465 1.00 52.40 H new ATOM 0 HB2 LYS A 50 -0.301 3.717 -13.942 1.00 52.12 H new ATOM 0 HB3 LYS A 50 1.204 4.583 -13.702 1.00 52.12 H new ATOM 0 HG2 LYS A 50 1.831 2.346 -13.621 1.00 42.54 H new ATOM 0 HG3 LYS A 50 1.762 2.811 -11.933 1.00 42.54 H new ATOM 0 HD2 LYS A 50 -0.509 1.863 -11.755 1.00 15.32 H new ATOM 0 HD3 LYS A 50 -0.462 1.416 -13.449 1.00 15.32 H new ATOM 0 HE2 LYS A 50 1.535 -0.004 -12.981 1.00 44.24 H new ATOM 0 HE3 LYS A 50 1.383 0.390 -11.280 1.00 44.24 H new ATOM 0 HZ1 LYS A 50 0.283 -1.661 -11.595 1.00 15.24 H new ATOM 0 HZ2 LYS A 50 -0.959 -0.516 -11.430 1.00 15.24 H new ATOM 0 HZ3 LYS A 50 -0.554 -1.114 -12.967 1.00 15.24 H new ATOM 794 N ASN A 51 -2.487 4.719 -12.440 1.00 2.13 N ATOM 795 CA ASN A 51 -3.842 4.264 -12.356 1.00 34.44 C ATOM 796 C ASN A 51 -4.151 3.495 -13.610 1.00 31.43 C ATOM 797 O ASN A 51 -3.867 3.953 -14.710 1.00 13.02 O ATOM 798 CB ASN A 51 -4.813 5.430 -12.184 1.00 54.11 C ATOM 799 CG ASN A 51 -6.288 5.019 -12.148 1.00 72.42 C ATOM 800 OD1 ASN A 51 -6.643 3.932 -11.714 1.00 70.13 O ATOM 801 ND2 ASN A 51 -7.152 5.891 -12.606 1.00 60.31 N ATOM 0 H ASN A 51 -2.348 5.460 -13.127 1.00 2.13 H new ATOM 0 HA ASN A 51 -3.960 3.625 -11.481 1.00 34.44 H new ATOM 0 HB2 ASN A 51 -4.571 5.956 -11.260 1.00 54.11 H new ATOM 0 HB3 ASN A 51 -4.664 6.136 -13.001 1.00 54.11 H new ATOM 0 HD21 ASN A 51 -8.148 5.670 -12.606 1.00 60.31 H new ATOM 0 HD22 ASN A 51 -6.829 6.790 -12.962 1.00 60.31 H new ATOM 808 N ASN A 52 -4.682 2.352 -13.436 1.00 70.23 N ATOM 809 CA ASN A 52 -5.059 1.466 -14.521 1.00 41.14 C ATOM 810 C ASN A 52 -6.536 1.631 -14.819 1.00 4.20 C ATOM 811 O ASN A 52 -7.019 1.320 -15.903 1.00 62.45 O ATOM 812 CB ASN A 52 -4.742 0.010 -14.102 1.00 52.24 C ATOM 813 CG ASN A 52 -5.526 -1.057 -14.860 1.00 34.14 C ATOM 814 OD1 ASN A 52 -6.620 -1.452 -14.428 1.00 4.35 O ATOM 815 ND2 ASN A 52 -4.993 -1.535 -15.958 1.00 50.24 N ATOM 0 H ASN A 52 -4.884 1.970 -12.512 1.00 70.23 H new ATOM 0 HA ASN A 52 -4.499 1.709 -15.424 1.00 41.14 H new ATOM 0 HB2 ASN A 52 -3.677 -0.171 -14.245 1.00 52.24 H new ATOM 0 HB3 ASN A 52 -4.943 -0.099 -13.036 1.00 52.24 H new ATOM 0 HD21 ASN A 52 -5.480 -2.257 -16.489 1.00 50.24 H new ATOM 0 HD22 ASN A 52 -4.091 -1.185 -16.282 1.00 50.24 H new ATOM 822 N GLY A 53 -7.234 2.155 -13.856 1.00 54.23 N ATOM 823 CA GLY A 53 -8.645 2.251 -13.944 1.00 40.42 C ATOM 824 C GLY A 53 -9.218 1.394 -12.907 1.00 25.31 C ATOM 825 O GLY A 53 -10.140 1.772 -12.171 1.00 1.23 O ATOM 0 H GLY A 53 -6.835 2.525 -12.993 1.00 54.23 H new ATOM 0 HA2 GLY A 53 -8.967 3.283 -13.807 1.00 40.42 H new ATOM 0 HA3 GLY A 53 -8.988 1.938 -14.930 1.00 40.42 H new ATOM 829 N THR A 54 -8.679 0.227 -12.852 1.00 61.45 N ATOM 830 CA THR A 54 -9.053 -0.735 -11.938 1.00 50.43 C ATOM 831 C THR A 54 -7.975 -0.908 -10.853 1.00 35.11 C ATOM 832 O THR A 54 -8.279 -1.249 -9.722 1.00 10.25 O ATOM 833 CB THR A 54 -9.362 -2.013 -12.684 1.00 52.42 C ATOM 834 OG1 THR A 54 -10.448 -1.759 -13.596 1.00 51.34 O ATOM 835 CG2 THR A 54 -9.745 -3.072 -11.745 1.00 63.33 C ATOM 0 H THR A 54 -7.934 -0.073 -13.481 1.00 61.45 H new ATOM 0 HA THR A 54 -9.955 -0.429 -11.407 1.00 50.43 H new ATOM 0 HB THR A 54 -8.477 -2.340 -13.231 1.00 52.42 H new ATOM 0 HG1 THR A 54 -10.659 -2.579 -14.089 1.00 51.34 H new ATOM 0 HG21 THR A 54 -9.964 -3.986 -12.297 1.00 63.33 H new ATOM 0 HG22 THR A 54 -8.926 -3.256 -11.050 1.00 63.33 H new ATOM 0 HG23 THR A 54 -10.630 -2.763 -11.189 1.00 63.33 H new ATOM 843 N ASP A 55 -6.743 -0.644 -11.174 1.00 32.34 N ATOM 844 CA ASP A 55 -5.747 -0.660 -10.129 1.00 10.51 C ATOM 845 C ASP A 55 -5.056 0.639 -10.033 1.00 73.33 C ATOM 846 O ASP A 55 -5.044 1.425 -10.971 1.00 2.31 O ATOM 847 CB ASP A 55 -4.705 -1.823 -10.172 1.00 55.50 C ATOM 848 CG ASP A 55 -3.566 -1.760 -11.214 1.00 34.01 C ATOM 849 OD1 ASP A 55 -2.771 -0.785 -11.246 1.00 31.41 O ATOM 850 OD2 ASP A 55 -3.372 -2.773 -11.905 1.00 43.14 O ATOM 0 H ASP A 55 -6.406 -0.422 -12.111 1.00 32.34 H new ATOM 0 HA ASP A 55 -6.331 -0.853 -9.229 1.00 10.51 H new ATOM 0 HB2 ASP A 55 -4.247 -1.893 -9.185 1.00 55.50 H new ATOM 0 HB3 ASP A 55 -5.252 -2.751 -10.336 1.00 55.50 H new ATOM 855 N ALA A 56 -4.558 0.876 -8.890 1.00 52.30 N ATOM 856 CA ALA A 56 -3.758 1.994 -8.597 1.00 12.43 C ATOM 857 C ALA A 56 -2.600 1.415 -7.871 1.00 24.22 C ATOM 858 O ALA A 56 -2.759 0.796 -6.822 1.00 54.33 O ATOM 859 CB ALA A 56 -4.519 2.994 -7.755 1.00 1.23 C ATOM 0 H ALA A 56 -4.704 0.263 -8.088 1.00 52.30 H new ATOM 0 HA ALA A 56 -3.449 2.549 -9.483 1.00 12.43 H new ATOM 0 HB1 ALA A 56 -3.880 3.851 -7.541 1.00 1.23 H new ATOM 0 HB2 ALA A 56 -5.404 3.328 -8.297 1.00 1.23 H new ATOM 0 HB3 ALA A 56 -4.823 2.525 -6.819 1.00 1.23 H new ATOM 865 N GLU A 57 -1.469 1.540 -8.422 1.00 21.01 N ATOM 866 CA GLU A 57 -0.355 0.810 -7.932 1.00 23.40 C ATOM 867 C GLU A 57 0.833 1.733 -7.828 1.00 61.14 C ATOM 868 O GLU A 57 1.203 2.414 -8.804 1.00 65.22 O ATOM 869 CB GLU A 57 -0.179 -0.342 -8.901 1.00 44.32 C ATOM 870 CG GLU A 57 0.774 -1.454 -8.546 1.00 3.11 C ATOM 871 CD GLU A 57 0.493 -2.644 -9.448 1.00 40.11 C ATOM 872 OE1 GLU A 57 0.992 -2.662 -10.591 1.00 30.54 O ATOM 873 OE2 GLU A 57 -0.336 -3.508 -9.068 1.00 10.33 O ATOM 0 H GLU A 57 -1.275 2.143 -9.221 1.00 21.01 H new ATOM 0 HA GLU A 57 -0.486 0.408 -6.927 1.00 23.40 H new ATOM 0 HB2 GLU A 57 -1.160 -0.788 -9.064 1.00 44.32 H new ATOM 0 HB3 GLU A 57 0.143 0.076 -9.855 1.00 44.32 H new ATOM 0 HG2 GLU A 57 1.805 -1.122 -8.669 1.00 3.11 H new ATOM 0 HG3 GLU A 57 0.653 -1.736 -7.500 1.00 3.11 H new ATOM 880 N ILE A 58 1.386 1.795 -6.642 1.00 5.53 N ATOM 881 CA ILE A 58 2.432 2.738 -6.325 1.00 62.02 C ATOM 882 C ILE A 58 3.745 1.993 -6.202 1.00 44.43 C ATOM 883 O ILE A 58 3.847 1.034 -5.431 1.00 41.41 O ATOM 884 CB ILE A 58 2.166 3.444 -4.955 1.00 14.23 C ATOM 885 CG1 ILE A 58 0.690 3.897 -4.803 1.00 2.12 C ATOM 886 CG2 ILE A 58 3.111 4.632 -4.766 1.00 54.20 C ATOM 887 CD1 ILE A 58 0.194 4.874 -5.849 1.00 33.40 C ATOM 0 H ILE A 58 1.122 1.190 -5.865 1.00 5.53 H new ATOM 0 HA ILE A 58 2.462 3.484 -7.119 1.00 62.02 H new ATOM 0 HB ILE A 58 2.361 2.708 -4.175 1.00 14.23 H new ATOM 0 HG12 ILE A 58 0.053 3.013 -4.827 1.00 2.12 H new ATOM 0 HG13 ILE A 58 0.568 4.352 -3.820 1.00 2.12 H new ATOM 0 HG21 ILE A 58 2.909 5.109 -3.807 1.00 54.20 H new ATOM 0 HG22 ILE A 58 4.143 4.283 -4.787 1.00 54.20 H new ATOM 0 HG23 ILE A 58 2.955 5.352 -5.569 1.00 54.20 H new ATOM 0 HD11 ILE A 58 -0.848 5.124 -5.649 1.00 33.40 H new ATOM 0 HD12 ILE A 58 0.798 5.781 -5.815 1.00 33.40 H new ATOM 0 HD13 ILE A 58 0.275 4.421 -6.837 1.00 33.40 H new ATOM 899 N VAL A 59 4.730 2.411 -6.949 1.00 33.20 N ATOM 900 CA VAL A 59 6.042 1.808 -6.876 1.00 12.20 C ATOM 901 C VAL A 59 7.029 2.887 -6.495 1.00 42.13 C ATOM 902 O VAL A 59 7.174 3.864 -7.209 1.00 44.21 O ATOM 903 CB VAL A 59 6.484 1.177 -8.230 1.00 0.44 C ATOM 904 CG1 VAL A 59 7.817 0.448 -8.084 1.00 12.34 C ATOM 905 CG2 VAL A 59 5.417 0.242 -8.783 1.00 11.23 C ATOM 0 H VAL A 59 4.652 3.173 -7.622 1.00 33.20 H new ATOM 0 HA VAL A 59 6.010 1.006 -6.139 1.00 12.20 H new ATOM 0 HB VAL A 59 6.616 1.991 -8.943 1.00 0.44 H new ATOM 0 HG11 VAL A 59 8.103 0.017 -9.043 1.00 12.34 H new ATOM 0 HG12 VAL A 59 8.583 1.152 -7.760 1.00 12.34 H new ATOM 0 HG13 VAL A 59 7.718 -0.346 -7.344 1.00 12.34 H new ATOM 0 HG21 VAL A 59 5.758 -0.181 -9.728 1.00 11.23 H new ATOM 0 HG22 VAL A 59 5.234 -0.562 -8.071 1.00 11.23 H new ATOM 0 HG23 VAL A 59 4.494 0.799 -8.947 1.00 11.23 H new ATOM 915 N SER A 60 7.639 2.751 -5.364 1.00 52.45 N ATOM 916 CA SER A 60 8.605 3.700 -4.896 1.00 35.04 C ATOM 917 C SER A 60 9.936 2.997 -4.612 1.00 73.51 C ATOM 918 O SER A 60 9.950 1.801 -4.402 1.00 42.52 O ATOM 919 CB SER A 60 8.041 4.405 -3.667 1.00 14.32 C ATOM 920 OG SER A 60 6.724 4.838 -3.967 1.00 11.43 O ATOM 0 H SER A 60 7.481 1.969 -4.728 1.00 52.45 H new ATOM 0 HA SER A 60 8.805 4.454 -5.657 1.00 35.04 H new ATOM 0 HB2 SER A 60 8.033 3.729 -2.812 1.00 14.32 H new ATOM 0 HB3 SER A 60 8.668 5.255 -3.396 1.00 14.32 H new ATOM 0 HG SER A 60 6.087 4.127 -3.745 1.00 11.43 H new ATOM 926 N ALA A 61 11.026 3.718 -4.633 1.00 11.44 N ATOM 927 CA ALA A 61 12.349 3.133 -4.473 1.00 24.54 C ATOM 928 C ALA A 61 12.966 3.412 -3.102 1.00 22.32 C ATOM 929 O ALA A 61 12.535 4.324 -2.373 1.00 13.32 O ATOM 930 CB ALA A 61 13.276 3.613 -5.580 1.00 35.22 C ATOM 0 H ALA A 61 11.031 4.730 -4.761 1.00 11.44 H new ATOM 0 HA ALA A 61 12.224 2.052 -4.544 1.00 24.54 H new ATOM 0 HB1 ALA A 61 14.262 3.167 -5.448 1.00 35.22 H new ATOM 0 HB2 ALA A 61 12.871 3.317 -6.548 1.00 35.22 H new ATOM 0 HB3 ALA A 61 13.360 4.699 -5.539 1.00 35.22 H new ATOM 936 N SER A 62 13.932 2.581 -2.739 1.00 32.22 N ATOM 937 CA SER A 62 14.685 2.730 -1.521 1.00 34.01 C ATOM 938 C SER A 62 16.027 3.361 -1.868 1.00 2.42 C ATOM 939 O SER A 62 16.547 3.153 -2.966 1.00 63.32 O ATOM 940 CB SER A 62 14.914 1.359 -0.886 1.00 41.32 C ATOM 941 OG SER A 62 15.626 1.443 0.338 1.00 32.52 O ATOM 0 H SER A 62 14.212 1.775 -3.297 1.00 32.22 H new ATOM 0 HA SER A 62 14.141 3.358 -0.816 1.00 34.01 H new ATOM 0 HB2 SER A 62 13.952 0.877 -0.711 1.00 41.32 H new ATOM 0 HB3 SER A 62 15.466 0.727 -1.582 1.00 41.32 H new ATOM 0 HG SER A 62 15.686 0.553 0.744 1.00 32.52 H new ATOM 947 N ASP A 63 16.570 4.120 -0.947 1.00 63.21 N ATOM 948 CA ASP A 63 17.851 4.796 -1.142 1.00 50.10 C ATOM 949 C ASP A 63 18.993 3.868 -0.789 1.00 12.03 C ATOM 950 O ASP A 63 20.065 3.932 -1.383 1.00 4.43 O ATOM 951 CB ASP A 63 17.926 6.029 -0.237 1.00 1.34 C ATOM 952 CG ASP A 63 17.889 5.636 1.237 1.00 1.30 C ATOM 953 OD1 ASP A 63 16.809 5.240 1.720 1.00 32.34 O ATOM 954 OD2 ASP A 63 18.929 5.650 1.896 1.00 53.41 O ATOM 0 H ASP A 63 16.144 4.293 -0.037 1.00 63.21 H new ATOM 0 HA ASP A 63 17.931 5.092 -2.188 1.00 50.10 H new ATOM 0 HB2 ASP A 63 18.842 6.581 -0.446 1.00 1.34 H new ATOM 0 HB3 ASP A 63 17.094 6.697 -0.459 1.00 1.34 H new ATOM 959 N SER A 64 18.747 2.983 0.137 1.00 5.14 N ATOM 960 CA SER A 64 19.786 2.120 0.596 1.00 43.15 C ATOM 961 C SER A 64 19.673 0.809 -0.118 1.00 74.20 C ATOM 962 O SER A 64 20.670 0.181 -0.494 1.00 2.33 O ATOM 963 CB SER A 64 19.689 1.913 2.104 1.00 34.13 C ATOM 964 OG SER A 64 19.672 3.151 2.818 1.00 43.22 O ATOM 0 H SER A 64 17.840 2.845 0.583 1.00 5.14 H new ATOM 0 HA SER A 64 20.754 2.574 0.384 1.00 43.15 H new ATOM 0 HB2 SER A 64 18.785 1.350 2.334 1.00 34.13 H new ATOM 0 HB3 SER A 64 20.533 1.312 2.442 1.00 34.13 H new ATOM 0 HG SER A 64 19.455 3.881 2.201 1.00 43.22 H new ATOM 970 N ASP A 65 18.452 0.403 -0.362 1.00 62.34 N ATOM 971 CA ASP A 65 18.254 -0.837 -1.010 1.00 21.30 C ATOM 972 C ASP A 65 18.023 -0.552 -2.456 1.00 14.24 C ATOM 973 O ASP A 65 16.912 -0.283 -2.868 1.00 61.03 O ATOM 974 CB ASP A 65 17.027 -1.593 -0.465 1.00 52.23 C ATOM 975 CG ASP A 65 16.896 -1.596 1.038 1.00 61.12 C ATOM 976 OD1 ASP A 65 17.631 -2.322 1.712 1.00 14.15 O ATOM 977 OD2 ASP A 65 16.029 -0.844 1.557 1.00 54.24 O ATOM 0 H ASP A 65 17.603 0.914 -0.121 1.00 62.34 H new ATOM 0 HA ASP A 65 19.131 -1.462 -0.840 1.00 21.30 H new ATOM 0 HB2 ASP A 65 16.127 -1.151 -0.892 1.00 52.23 H new ATOM 0 HB3 ASP A 65 17.071 -2.625 -0.813 1.00 52.23 H new ATOM 982 N SER A 66 19.072 -0.586 -3.221 1.00 44.11 N ATOM 983 CA SER A 66 18.982 -0.434 -4.665 1.00 71.44 C ATOM 984 C SER A 66 18.244 -1.639 -5.275 1.00 0.31 C ATOM 985 O SER A 66 17.750 -1.582 -6.392 1.00 3.21 O ATOM 986 CB SER A 66 20.393 -0.286 -5.270 1.00 33.24 C ATOM 987 OG SER A 66 20.353 -0.099 -6.673 1.00 4.14 O ATOM 0 H SER A 66 20.022 -0.719 -2.873 1.00 44.11 H new ATOM 0 HA SER A 66 18.416 0.468 -4.897 1.00 71.44 H new ATOM 0 HB2 SER A 66 20.899 0.561 -4.806 1.00 33.24 H new ATOM 0 HB3 SER A 66 20.981 -1.174 -5.040 1.00 33.24 H new ATOM 0 HG SER A 66 21.266 -0.008 -7.017 1.00 4.14 H new ATOM 993 N THR A 67 18.176 -2.709 -4.514 1.00 10.12 N ATOM 994 CA THR A 67 17.546 -3.922 -4.942 1.00 54.31 C ATOM 995 C THR A 67 16.107 -4.022 -4.394 1.00 51.04 C ATOM 996 O THR A 67 15.420 -5.022 -4.628 1.00 13.11 O ATOM 997 CB THR A 67 18.392 -5.161 -4.489 1.00 53.12 C ATOM 998 OG1 THR A 67 17.802 -6.381 -4.943 1.00 32.14 O ATOM 999 CG2 THR A 67 18.544 -5.205 -2.966 1.00 14.21 C ATOM 0 H THR A 67 18.563 -2.754 -3.571 1.00 10.12 H new ATOM 0 HA THR A 67 17.492 -3.912 -6.031 1.00 54.31 H new ATOM 0 HB THR A 67 19.380 -5.055 -4.938 1.00 53.12 H new ATOM 0 HG1 THR A 67 16.846 -6.241 -5.107 1.00 32.14 H new ATOM 0 HG21 THR A 67 19.136 -6.076 -2.684 1.00 14.21 H new ATOM 0 HG22 THR A 67 19.046 -4.300 -2.624 1.00 14.21 H new ATOM 0 HG23 THR A 67 17.559 -5.271 -2.504 1.00 14.21 H new ATOM 1007 N ASP A 68 15.635 -2.998 -3.692 1.00 51.04 N ATOM 1008 CA ASP A 68 14.306 -3.084 -3.119 1.00 12.21 C ATOM 1009 C ASP A 68 13.534 -1.790 -3.310 1.00 73.43 C ATOM 1010 O ASP A 68 14.104 -0.718 -3.468 1.00 23.24 O ATOM 1011 CB ASP A 68 14.334 -3.533 -1.643 1.00 12.31 C ATOM 1012 CG ASP A 68 12.954 -3.852 -1.088 1.00 0.12 C ATOM 1013 OD1 ASP A 68 12.034 -4.177 -1.885 1.00 43.23 O ATOM 1014 OD2 ASP A 68 12.778 -3.836 0.150 1.00 23.40 O ATOM 0 H ASP A 68 16.136 -2.128 -3.512 1.00 51.04 H new ATOM 0 HA ASP A 68 13.771 -3.861 -3.665 1.00 12.21 H new ATOM 0 HB2 ASP A 68 14.969 -4.414 -1.550 1.00 12.31 H new ATOM 0 HB3 ASP A 68 14.789 -2.747 -1.039 1.00 12.31 H new ATOM 1019 N SER A 69 12.255 -1.918 -3.308 1.00 65.52 N ATOM 1020 CA SER A 69 11.352 -0.874 -3.598 1.00 64.12 C ATOM 1021 C SER A 69 10.070 -1.060 -2.785 1.00 33.13 C ATOM 1022 O SER A 69 9.678 -2.209 -2.485 1.00 64.54 O ATOM 1023 CB SER A 69 11.069 -0.915 -5.107 1.00 42.14 C ATOM 1024 OG SER A 69 10.823 -2.266 -5.550 1.00 2.14 O ATOM 0 H SER A 69 11.792 -2.801 -3.092 1.00 65.52 H new ATOM 0 HA SER A 69 11.770 0.097 -3.330 1.00 64.12 H new ATOM 0 HB2 SER A 69 10.205 -0.290 -5.336 1.00 42.14 H new ATOM 0 HB3 SER A 69 11.917 -0.499 -5.651 1.00 42.14 H new ATOM 0 HG SER A 69 10.644 -2.267 -6.513 1.00 2.14 H new ATOM 1030 N LEU A 70 9.405 0.019 -2.466 1.00 11.33 N ATOM 1031 CA LEU A 70 8.160 -0.046 -1.779 1.00 34.21 C ATOM 1032 C LEU A 70 7.115 -0.064 -2.864 1.00 2.21 C ATOM 1033 O LEU A 70 6.969 0.887 -3.602 1.00 32.22 O ATOM 1034 CB LEU A 70 7.997 1.208 -0.871 1.00 74.15 C ATOM 1035 CG LEU A 70 6.772 1.307 0.100 1.00 52.05 C ATOM 1036 CD1 LEU A 70 5.429 1.350 -0.612 1.00 62.13 C ATOM 1037 CD2 LEU A 70 6.799 0.197 1.122 1.00 12.04 C ATOM 0 H LEU A 70 9.719 0.966 -2.680 1.00 11.33 H new ATOM 0 HA LEU A 70 8.081 -0.921 -1.133 1.00 34.21 H new ATOM 0 HB2 LEU A 70 8.900 1.292 -0.266 1.00 74.15 H new ATOM 0 HB3 LEU A 70 7.968 2.081 -1.523 1.00 74.15 H new ATOM 0 HG LEU A 70 6.875 2.264 0.611 1.00 52.05 H new ATOM 0 HD11 LEU A 70 4.629 1.418 0.125 1.00 62.13 H new ATOM 0 HD12 LEU A 70 5.393 2.219 -1.269 1.00 62.13 H new ATOM 0 HD13 LEU A 70 5.301 0.443 -1.203 1.00 62.13 H new ATOM 0 HD21 LEU A 70 5.937 0.290 1.783 1.00 12.04 H new ATOM 0 HD22 LEU A 70 6.764 -0.767 0.614 1.00 12.04 H new ATOM 0 HD23 LEU A 70 7.715 0.265 1.709 1.00 12.04 H new ATOM 1049 N GLN A 71 6.451 -1.149 -2.997 1.00 41.33 N ATOM 1050 CA GLN A 71 5.432 -1.268 -3.982 1.00 32.22 C ATOM 1051 C GLN A 71 4.170 -1.720 -3.325 1.00 22.43 C ATOM 1052 O GLN A 71 4.170 -2.706 -2.574 1.00 3.20 O ATOM 1053 CB GLN A 71 5.860 -2.209 -5.116 1.00 50.24 C ATOM 1054 CG GLN A 71 4.757 -2.521 -6.124 1.00 2.13 C ATOM 1055 CD GLN A 71 5.228 -3.377 -7.287 1.00 51.03 C ATOM 1056 OE1 GLN A 71 6.463 -3.203 -7.708 1.00 43.32 O flip ATOM 1057 NE2 GLN A 71 4.483 -4.163 -7.820 1.00 61.22 N flip ATOM 0 H GLN A 71 6.594 -1.984 -2.428 1.00 41.33 H new ATOM 0 HA GLN A 71 5.257 -0.295 -4.442 1.00 32.22 H new ATOM 0 HB2 GLN A 71 6.703 -1.763 -5.644 1.00 50.24 H new ATOM 0 HB3 GLN A 71 6.215 -3.144 -4.682 1.00 50.24 H new ATOM 0 HG2 GLN A 71 3.942 -3.033 -5.613 1.00 2.13 H new ATOM 0 HG3 GLN A 71 4.353 -1.585 -6.511 1.00 2.13 H new ATOM 0 HE21 GLN A 71 3.531 -4.278 -7.474 1.00 61.22 H new ATOM 0 HE22 GLN A 71 4.806 -4.712 -8.617 1.00 61.22 H new ATOM 1066 N VAL A 72 3.134 -0.970 -3.542 1.00 52.34 N ATOM 1067 CA VAL A 72 1.845 -1.269 -3.016 1.00 33.50 C ATOM 1068 C VAL A 72 0.882 -1.350 -4.160 1.00 64.22 C ATOM 1069 O VAL A 72 0.733 -0.391 -4.932 1.00 73.23 O ATOM 1070 CB VAL A 72 1.366 -0.180 -2.019 1.00 40.43 C ATOM 1071 CG1 VAL A 72 -0.049 -0.463 -1.518 1.00 3.15 C ATOM 1072 CG2 VAL A 72 2.312 -0.091 -0.850 1.00 72.45 C ATOM 0 H VAL A 72 3.165 -0.117 -4.101 1.00 52.34 H new ATOM 0 HA VAL A 72 1.896 -2.214 -2.475 1.00 33.50 H new ATOM 0 HB VAL A 72 1.354 0.772 -2.550 1.00 40.43 H new ATOM 0 HG11 VAL A 72 -0.352 0.319 -0.822 1.00 3.15 H new ATOM 0 HG12 VAL A 72 -0.737 -0.483 -2.363 1.00 3.15 H new ATOM 0 HG13 VAL A 72 -0.069 -1.428 -1.011 1.00 3.15 H new ATOM 0 HG21 VAL A 72 1.965 0.676 -0.158 1.00 72.45 H new ATOM 0 HG22 VAL A 72 2.348 -1.052 -0.337 1.00 72.45 H new ATOM 0 HG23 VAL A 72 3.309 0.167 -1.207 1.00 72.45 H new ATOM 1082 N ALA A 73 0.249 -2.459 -4.268 1.00 51.45 N ATOM 1083 CA ALA A 73 -0.711 -2.673 -5.288 1.00 3.20 C ATOM 1084 C ALA A 73 -2.072 -2.586 -4.697 1.00 73.35 C ATOM 1085 O ALA A 73 -2.388 -3.305 -3.738 1.00 34.50 O ATOM 1086 CB ALA A 73 -0.499 -4.020 -5.949 1.00 34.14 C ATOM 0 H ALA A 73 0.384 -3.254 -3.643 1.00 51.45 H new ATOM 0 HA ALA A 73 -0.600 -1.907 -6.056 1.00 3.20 H new ATOM 0 HB1 ALA A 73 -1.247 -4.164 -6.729 1.00 34.14 H new ATOM 0 HB2 ALA A 73 0.497 -4.056 -6.390 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -0.595 -4.810 -5.204 1.00 34.14 H new ATOM 1092 N MET A 74 -2.869 -1.718 -5.235 1.00 44.21 N ATOM 1093 CA MET A 74 -4.212 -1.563 -4.793 1.00 33.13 C ATOM 1094 C MET A 74 -5.068 -1.965 -5.943 1.00 33.05 C ATOM 1095 O MET A 74 -4.991 -1.394 -7.025 1.00 21.33 O ATOM 1096 CB MET A 74 -4.490 -0.107 -4.393 1.00 3.04 C ATOM 1097 CG MET A 74 -3.532 0.445 -3.348 1.00 22.12 C ATOM 1098 SD MET A 74 -3.785 2.191 -2.988 1.00 5.30 S ATOM 1099 CE MET A 74 -3.073 2.945 -4.436 1.00 30.12 C ATOM 0 H MET A 74 -2.602 -1.095 -5.997 1.00 44.21 H new ATOM 0 HA MET A 74 -4.414 -2.173 -3.912 1.00 33.13 H new ATOM 0 HB2 MET A 74 -4.439 0.519 -5.284 1.00 3.04 H new ATOM 0 HB3 MET A 74 -5.508 -0.035 -4.011 1.00 3.04 H new ATOM 0 HG2 MET A 74 -3.644 -0.127 -2.427 1.00 22.12 H new ATOM 0 HG3 MET A 74 -2.508 0.298 -3.692 1.00 22.12 H new ATOM 0 HE1 MET A 74 -2.529 3.844 -4.148 1.00 30.12 H new ATOM 0 HE2 MET A 74 -2.388 2.243 -4.912 1.00 30.12 H new ATOM 0 HE3 MET A 74 -3.866 3.209 -5.136 1.00 30.12 H new ATOM 1109 N LYS A 75 -5.852 -2.947 -5.707 1.00 45.40 N ATOM 1110 CA LYS A 75 -6.636 -3.575 -6.719 1.00 10.20 C ATOM 1111 C LYS A 75 -8.100 -3.414 -6.410 1.00 53.21 C ATOM 1112 O LYS A 75 -8.542 -3.793 -5.333 1.00 2.44 O ATOM 1113 CB LYS A 75 -6.269 -5.043 -6.713 1.00 14.10 C ATOM 1114 CG LYS A 75 -5.573 -5.571 -7.954 1.00 13.53 C ATOM 1115 CD LYS A 75 -4.272 -4.805 -8.308 1.00 64.21 C ATOM 1116 CE LYS A 75 -3.572 -5.417 -9.540 1.00 43.41 C ATOM 1117 NZ LYS A 75 -2.466 -4.567 -10.092 1.00 33.31 N ATOM 0 H LYS A 75 -5.975 -3.354 -4.780 1.00 45.40 H new ATOM 0 HA LYS A 75 -6.445 -3.127 -7.694 1.00 10.20 H new ATOM 0 HB2 LYS A 75 -5.624 -5.230 -5.854 1.00 14.10 H new ATOM 0 HB3 LYS A 75 -7.180 -5.622 -6.560 1.00 14.10 H new ATOM 0 HG2 LYS A 75 -5.336 -6.625 -7.807 1.00 13.53 H new ATOM 0 HG3 LYS A 75 -6.260 -5.513 -8.798 1.00 13.53 H new ATOM 0 HD2 LYS A 75 -4.507 -3.759 -8.504 1.00 64.21 H new ATOM 0 HD3 LYS A 75 -3.593 -4.825 -7.455 1.00 64.21 H new ATOM 0 HE2 LYS A 75 -3.168 -6.392 -9.269 1.00 43.41 H new ATOM 0 HE3 LYS A 75 -4.313 -5.585 -10.321 1.00 43.41 H new ATOM 0 HZ1 LYS A 75 -1.713 -5.178 -10.468 1.00 33.31 H new ATOM 0 HZ2 LYS A 75 -2.838 -3.966 -10.855 1.00 33.31 H new ATOM 0 HZ3 LYS A 75 -2.079 -3.966 -9.336 1.00 33.31 H new ATOM 1131 N LYS A 76 -8.839 -2.895 -7.349 1.00 23.32 N ATOM 1132 CA LYS A 76 -10.250 -2.644 -7.165 1.00 4.33 C ATOM 1133 C LYS A 76 -11.047 -3.904 -7.362 1.00 54.01 C ATOM 1134 O LYS A 76 -10.928 -4.597 -8.369 1.00 42.05 O ATOM 1135 CB LYS A 76 -10.750 -1.625 -8.151 1.00 33.13 C ATOM 1136 CG LYS A 76 -12.212 -1.226 -7.990 1.00 2.15 C ATOM 1137 CD LYS A 76 -12.763 -0.786 -9.331 1.00 65.42 C ATOM 1138 CE LYS A 76 -12.029 0.419 -9.829 1.00 54.02 C ATOM 1139 NZ LYS A 76 -12.414 0.767 -11.215 1.00 31.30 N ATOM 0 H LYS A 76 -8.484 -2.631 -8.268 1.00 23.32 H new ATOM 0 HA LYS A 76 -10.377 -2.273 -6.148 1.00 4.33 H new ATOM 0 HB2 LYS A 76 -10.135 -0.729 -8.066 1.00 33.13 H new ATOM 0 HB3 LYS A 76 -10.606 -2.017 -9.158 1.00 33.13 H new ATOM 0 HG2 LYS A 76 -12.790 -2.066 -7.605 1.00 2.15 H new ATOM 0 HG3 LYS A 76 -12.302 -0.418 -7.264 1.00 2.15 H new ATOM 0 HD2 LYS A 76 -12.672 -1.598 -10.052 1.00 65.42 H new ATOM 0 HD3 LYS A 76 -13.825 -0.559 -9.238 1.00 65.42 H new ATOM 0 HE2 LYS A 76 -12.233 1.265 -9.173 1.00 54.02 H new ATOM 0 HE3 LYS A 76 -10.956 0.234 -9.786 1.00 54.02 H new ATOM 0 HZ1 LYS A 76 -11.560 0.844 -11.804 1.00 31.30 H new ATOM 0 HZ2 LYS A 76 -13.034 0.026 -11.600 1.00 31.30 H new ATOM 0 HZ3 LYS A 76 -12.919 1.676 -11.217 1.00 31.30 H new ATOM 1153 N LEU A 77 -11.834 -4.161 -6.409 1.00 24.23 N ATOM 1154 CA LEU A 77 -12.721 -5.273 -6.373 1.00 0.23 C ATOM 1155 C LEU A 77 -14.104 -4.758 -6.758 1.00 71.54 C ATOM 1156 O LEU A 77 -14.424 -3.604 -6.471 1.00 52.43 O ATOM 1157 CB LEU A 77 -12.725 -5.887 -4.966 1.00 64.21 C ATOM 1158 CG LEU A 77 -11.380 -6.443 -4.470 1.00 65.32 C ATOM 1159 CD1 LEU A 77 -11.516 -6.983 -3.061 1.00 13.44 C ATOM 1160 CD2 LEU A 77 -10.855 -7.527 -5.404 1.00 51.01 C ATOM 0 H LEU A 77 -11.893 -3.576 -5.575 1.00 24.23 H new ATOM 0 HA LEU A 77 -12.410 -6.054 -7.067 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -13.064 -5.128 -4.261 1.00 64.21 H new ATOM 0 HB3 LEU A 77 -13.459 -6.693 -4.945 1.00 64.21 H new ATOM 0 HG LEU A 77 -10.661 -5.624 -4.464 1.00 65.32 H new ATOM 0 HD11 LEU A 77 -10.555 -7.372 -2.726 1.00 13.44 H new ATOM 0 HD12 LEU A 77 -11.835 -6.182 -2.394 1.00 13.44 H new ATOM 0 HD13 LEU A 77 -12.256 -7.783 -3.048 1.00 13.44 H new ATOM 0 HD21 LEU A 77 -9.903 -7.901 -5.028 1.00 51.01 H new ATOM 0 HD22 LEU A 77 -11.573 -8.345 -5.452 1.00 51.01 H new ATOM 0 HD23 LEU A 77 -10.713 -7.110 -6.401 1.00 51.01 H new ATOM 1172 N PRO A 78 -14.940 -5.585 -7.419 1.00 52.24 N ATOM 1173 CA PRO A 78 -16.278 -5.168 -7.947 1.00 64.24 C ATOM 1174 C PRO A 78 -17.294 -4.706 -6.872 1.00 5.05 C ATOM 1175 O PRO A 78 -18.419 -4.355 -7.183 1.00 61.21 O ATOM 1176 CB PRO A 78 -16.788 -6.430 -8.658 1.00 55.45 C ATOM 1177 CG PRO A 78 -16.029 -7.554 -8.044 1.00 4.45 C ATOM 1178 CD PRO A 78 -14.670 -7.006 -7.716 1.00 42.12 C ATOM 0 HA PRO A 78 -16.175 -4.290 -8.585 1.00 64.24 H new ATOM 0 HB2 PRO A 78 -17.862 -6.556 -8.517 1.00 55.45 H new ATOM 0 HB3 PRO A 78 -16.612 -6.376 -9.732 1.00 55.45 H new ATOM 0 HG2 PRO A 78 -16.529 -7.919 -7.147 1.00 4.45 H new ATOM 0 HG3 PRO A 78 -15.954 -8.396 -8.732 1.00 4.45 H new ATOM 0 HD2 PRO A 78 -14.225 -7.518 -6.863 1.00 42.12 H new ATOM 0 HD3 PRO A 78 -13.979 -7.118 -8.551 1.00 42.12 H new ATOM 1186 N ASN A 79 -16.878 -4.710 -5.628 1.00 72.40 N ATOM 1187 CA ASN A 79 -17.719 -4.267 -4.515 1.00 61.44 C ATOM 1188 C ASN A 79 -17.224 -2.911 -4.043 1.00 14.34 C ATOM 1189 O ASN A 79 -17.570 -2.452 -2.960 1.00 34.32 O ATOM 1190 CB ASN A 79 -17.628 -5.269 -3.349 1.00 43.55 C ATOM 1191 CG ASN A 79 -18.015 -6.681 -3.739 1.00 44.51 C ATOM 1192 OD1 ASN A 79 -17.176 -7.464 -4.166 1.00 20.02 O ATOM 1193 ND2 ASN A 79 -19.273 -7.020 -3.589 1.00 44.34 N ATOM 0 H ASN A 79 -15.947 -5.019 -5.347 1.00 72.40 H new ATOM 0 HA ASN A 79 -18.755 -4.202 -4.847 1.00 61.44 H new ATOM 0 HB2 ASN A 79 -16.609 -5.273 -2.962 1.00 43.55 H new ATOM 0 HB3 ASN A 79 -18.276 -4.933 -2.539 1.00 43.55 H new ATOM 0 HD21 ASN A 79 -19.580 -7.962 -3.831 1.00 44.34 H new ATOM 0 HD22 ASN A 79 -19.945 -6.341 -3.230 1.00 44.34 H new ATOM 1200 N ASN A 80 -16.381 -2.301 -4.888 1.00 34.22 N ATOM 1201 CA ASN A 80 -15.686 -1.009 -4.651 1.00 34.20 C ATOM 1202 C ASN A 80 -14.698 -1.180 -3.527 1.00 44.03 C ATOM 1203 O ASN A 80 -14.221 -0.236 -2.962 1.00 2.44 O ATOM 1204 CB ASN A 80 -16.657 0.143 -4.336 1.00 51.12 C ATOM 1205 CG ASN A 80 -16.085 1.500 -4.747 1.00 42.32 C ATOM 1206 OD1 ASN A 80 -15.263 1.602 -5.668 1.00 11.22 O ATOM 1207 ND2 ASN A 80 -16.509 2.544 -4.096 1.00 2.43 N ATOM 0 H ASN A 80 -16.149 -2.704 -5.796 1.00 34.22 H new ATOM 0 HA ASN A 80 -15.171 -0.736 -5.572 1.00 34.20 H new ATOM 0 HB2 ASN A 80 -17.601 -0.025 -4.855 1.00 51.12 H new ATOM 0 HB3 ASN A 80 -16.877 0.150 -3.269 1.00 51.12 H new ATOM 0 HD21 ASN A 80 -16.164 3.472 -4.340 1.00 2.43 H new ATOM 0 HD22 ASN A 80 -17.186 2.434 -3.341 1.00 2.43 H new ATOM 1214 N ALA A 81 -14.324 -2.414 -3.315 1.00 10.03 N ATOM 1215 CA ALA A 81 -13.410 -2.807 -2.275 1.00 64.40 C ATOM 1216 C ALA A 81 -12.042 -2.893 -2.893 1.00 55.44 C ATOM 1217 O ALA A 81 -11.931 -2.886 -4.101 1.00 34.41 O ATOM 1218 CB ALA A 81 -13.829 -4.148 -1.683 1.00 73.03 C ATOM 0 H ALA A 81 -14.657 -3.197 -3.878 1.00 10.03 H new ATOM 0 HA ALA A 81 -13.410 -2.082 -1.461 1.00 64.40 H new ATOM 0 HB1 ALA A 81 -13.129 -4.434 -0.898 1.00 73.03 H new ATOM 0 HB2 ALA A 81 -14.831 -4.063 -1.263 1.00 73.03 H new ATOM 0 HB3 ALA A 81 -13.827 -4.908 -2.465 1.00 73.03 H new ATOM 1224 N THR A 82 -11.012 -2.905 -2.112 1.00 72.02 N ATOM 1225 CA THR A 82 -9.687 -2.897 -2.677 1.00 72.12 C ATOM 1226 C THR A 82 -8.802 -3.947 -1.992 1.00 44.33 C ATOM 1227 O THR A 82 -8.846 -4.083 -0.779 1.00 3.30 O ATOM 1228 CB THR A 82 -9.080 -1.504 -2.457 1.00 61.40 C ATOM 1229 OG1 THR A 82 -10.059 -0.519 -2.771 1.00 45.53 O ATOM 1230 CG2 THR A 82 -7.872 -1.289 -3.340 1.00 1.35 C ATOM 0 H THR A 82 -11.052 -2.920 -1.093 1.00 72.02 H new ATOM 0 HA THR A 82 -9.744 -3.132 -3.740 1.00 72.12 H new ATOM 0 HB THR A 82 -8.768 -1.424 -1.416 1.00 61.40 H new ATOM 0 HG1 THR A 82 -10.577 -0.305 -1.967 1.00 45.53 H new ATOM 0 HG21 THR A 82 -7.464 -0.294 -3.162 1.00 1.35 H new ATOM 0 HG22 THR A 82 -7.115 -2.038 -3.110 1.00 1.35 H new ATOM 0 HG23 THR A 82 -8.165 -1.379 -4.386 1.00 1.35 H new ATOM 1238 N ARG A 83 -8.019 -4.709 -2.745 1.00 3.45 N ATOM 1239 CA ARG A 83 -7.111 -5.607 -2.112 1.00 72.22 C ATOM 1240 C ARG A 83 -5.742 -5.010 -2.218 1.00 32.11 C ATOM 1241 O ARG A 83 -5.359 -4.533 -3.289 1.00 61.14 O ATOM 1242 CB ARG A 83 -7.088 -7.001 -2.707 1.00 72.34 C ATOM 1243 CG ARG A 83 -6.637 -8.001 -1.662 1.00 4.33 C ATOM 1244 CD ARG A 83 -6.137 -9.299 -2.218 1.00 13.13 C ATOM 1245 NE ARG A 83 -4.752 -9.177 -2.739 1.00 32.12 N ATOM 1246 CZ ARG A 83 -3.811 -10.152 -2.693 1.00 34.35 C ATOM 1247 NH1 ARG A 83 -4.146 -11.394 -2.325 1.00 61.33 N ATOM 1248 NH2 ARG A 83 -2.550 -9.877 -3.032 1.00 2.20 N ATOM 0 H ARG A 83 -8.005 -4.713 -3.765 1.00 3.45 H new ATOM 0 HA ARG A 83 -7.443 -5.731 -1.081 1.00 72.22 H new ATOM 0 HB2 ARG A 83 -8.080 -7.266 -3.072 1.00 72.34 H new ATOM 0 HB3 ARG A 83 -6.415 -7.029 -3.564 1.00 72.34 H new ATOM 0 HG2 ARG A 83 -5.847 -7.549 -1.062 1.00 4.33 H new ATOM 0 HG3 ARG A 83 -7.470 -8.205 -0.990 1.00 4.33 H new ATOM 0 HD2 ARG A 83 -6.167 -10.063 -1.441 1.00 13.13 H new ATOM 0 HD3 ARG A 83 -6.799 -9.631 -3.018 1.00 13.13 H new ATOM 0 HE ARG A 83 -4.487 -8.289 -3.165 1.00 32.12 H new ATOM 0 HH11 ARG A 83 -5.112 -11.610 -2.078 1.00 61.33 H new ATOM 0 HH12 ARG A 83 -3.436 -12.125 -2.292 1.00 61.33 H new ATOM 0 HH21 ARG A 83 -2.295 -8.934 -3.325 1.00 2.20 H new ATOM 0 HH22 ARG A 83 -1.841 -10.610 -2.998 1.00 2.20 H new ATOM 1262 N ILE A 84 -5.014 -5.016 -1.145 1.00 44.24 N ATOM 1263 CA ILE A 84 -3.726 -4.395 -1.116 1.00 72.00 C ATOM 1264 C ILE A 84 -2.652 -5.449 -0.989 1.00 0.44 C ATOM 1265 O ILE A 84 -2.773 -6.409 -0.222 1.00 12.43 O ATOM 1266 CB ILE A 84 -3.624 -3.312 0.032 1.00 63.10 C ATOM 1267 CG1 ILE A 84 -4.065 -1.936 -0.453 1.00 31.42 C ATOM 1268 CG2 ILE A 84 -2.251 -3.227 0.662 1.00 55.52 C ATOM 1269 CD1 ILE A 84 -5.513 -1.836 -0.820 1.00 14.23 C ATOM 0 H ILE A 84 -5.295 -5.451 -0.266 1.00 44.24 H new ATOM 0 HA ILE A 84 -3.577 -3.863 -2.056 1.00 72.00 H new ATOM 0 HB ILE A 84 -4.309 -3.651 0.809 1.00 63.10 H new ATOM 0 HG12 ILE A 84 -3.851 -1.205 0.327 1.00 31.42 H new ATOM 0 HG13 ILE A 84 -3.465 -1.662 -1.321 1.00 31.42 H new ATOM 0 HG21 ILE A 84 -2.255 -2.464 1.441 1.00 55.52 H new ATOM 0 HG22 ILE A 84 -1.991 -4.191 1.099 1.00 55.52 H new ATOM 0 HG23 ILE A 84 -1.517 -2.964 -0.100 1.00 55.52 H new ATOM 0 HD11 ILE A 84 -5.735 -0.822 -1.153 1.00 14.23 H new ATOM 0 HD12 ILE A 84 -5.734 -2.539 -1.624 1.00 14.23 H new ATOM 0 HD13 ILE A 84 -6.126 -2.074 0.049 1.00 14.23 H new ATOM 1281 N SER A 85 -1.653 -5.300 -1.814 1.00 11.22 N ATOM 1282 CA SER A 85 -0.543 -6.197 -1.855 1.00 3.32 C ATOM 1283 C SER A 85 0.724 -5.374 -1.690 1.00 20.12 C ATOM 1284 O SER A 85 0.922 -4.392 -2.408 1.00 23.13 O ATOM 1285 CB SER A 85 -0.547 -6.909 -3.200 1.00 64.44 C ATOM 1286 OG SER A 85 -1.882 -7.306 -3.524 1.00 55.02 O ATOM 0 H SER A 85 -1.591 -4.536 -2.487 1.00 11.22 H new ATOM 0 HA SER A 85 -0.600 -6.943 -1.062 1.00 3.32 H new ATOM 0 HB2 SER A 85 -0.154 -6.250 -3.974 1.00 64.44 H new ATOM 0 HB3 SER A 85 0.105 -7.782 -3.164 1.00 64.44 H new ATOM 0 HG SER A 85 -1.928 -7.557 -4.470 1.00 55.02 H new ATOM 1292 N ILE A 86 1.523 -5.732 -0.735 1.00 61.31 N ATOM 1293 CA ILE A 86 2.748 -5.026 -0.436 1.00 22.15 C ATOM 1294 C ILE A 86 3.923 -5.886 -0.915 1.00 40.32 C ATOM 1295 O ILE A 86 3.824 -7.106 -0.934 1.00 71.30 O ATOM 1296 CB ILE A 86 2.907 -4.707 1.075 1.00 63.22 C ATOM 1297 CG1 ILE A 86 1.578 -4.227 1.701 1.00 12.21 C ATOM 1298 CG2 ILE A 86 3.967 -3.606 1.246 1.00 13.54 C ATOM 1299 CD1 ILE A 86 1.116 -2.863 1.243 1.00 11.32 C ATOM 0 H ILE A 86 1.349 -6.533 -0.128 1.00 61.31 H new ATOM 0 HA ILE A 86 2.724 -4.066 -0.952 1.00 22.15 H new ATOM 0 HB ILE A 86 3.211 -5.622 1.584 1.00 63.22 H new ATOM 0 HG12 ILE A 86 0.800 -4.955 1.470 1.00 12.21 H new ATOM 0 HG13 ILE A 86 1.688 -4.212 2.785 1.00 12.21 H new ATOM 0 HG21 ILE A 86 4.085 -3.376 2.305 1.00 13.54 H new ATOM 0 HG22 ILE A 86 4.919 -3.951 0.842 1.00 13.54 H new ATOM 0 HG23 ILE A 86 3.650 -2.710 0.713 1.00 13.54 H new ATOM 0 HD11 ILE A 86 0.176 -2.613 1.736 1.00 11.32 H new ATOM 0 HD12 ILE A 86 1.870 -2.119 1.499 1.00 11.32 H new ATOM 0 HD13 ILE A 86 0.968 -2.873 0.163 1.00 11.32 H new ATOM 1311 N LYS A 87 5.017 -5.277 -1.281 1.00 51.35 N ATOM 1312 CA LYS A 87 6.120 -5.992 -1.888 1.00 1.35 C ATOM 1313 C LYS A 87 7.242 -6.048 -0.849 1.00 24.15 C ATOM 1314 O LYS A 87 7.690 -5.025 -0.330 1.00 1.40 O ATOM 1315 CB LYS A 87 6.604 -5.155 -3.110 1.00 41.32 C ATOM 1316 CG LYS A 87 7.396 -5.867 -4.247 1.00 64.25 C ATOM 1317 CD LYS A 87 8.656 -6.624 -3.803 1.00 64.52 C ATOM 1318 CE LYS A 87 9.677 -5.763 -3.046 1.00 72.34 C ATOM 1319 NZ LYS A 87 10.281 -4.674 -3.823 1.00 22.33 N ATOM 0 H LYS A 87 5.175 -4.275 -1.170 1.00 51.35 H new ATOM 0 HA LYS A 87 5.835 -6.995 -2.205 1.00 1.35 H new ATOM 0 HB2 LYS A 87 5.726 -4.692 -3.561 1.00 41.32 H new ATOM 0 HB3 LYS A 87 7.229 -4.348 -2.729 1.00 41.32 H new ATOM 0 HG2 LYS A 87 6.728 -6.570 -4.746 1.00 64.25 H new ATOM 0 HG3 LYS A 87 7.684 -5.121 -4.987 1.00 64.25 H new ATOM 0 HD2 LYS A 87 8.359 -7.458 -3.167 1.00 64.52 H new ATOM 0 HD3 LYS A 87 9.139 -7.050 -4.683 1.00 64.52 H new ATOM 0 HE2 LYS A 87 9.188 -5.335 -2.171 1.00 72.34 H new ATOM 0 HE3 LYS A 87 10.474 -6.411 -2.681 1.00 72.34 H new ATOM 0 HZ1 LYS A 87 11.260 -4.524 -3.507 1.00 22.33 H new ATOM 0 HZ2 LYS A 87 10.278 -4.924 -4.832 1.00 22.33 H new ATOM 0 HZ3 LYS A 87 9.734 -3.801 -3.681 1.00 22.33 H new ATOM 1333 N TYR A 88 7.673 -7.263 -0.547 1.00 63.32 N ATOM 1334 CA TYR A 88 8.708 -7.517 0.448 1.00 54.40 C ATOM 1335 C TYR A 88 10.043 -7.643 -0.226 1.00 52.12 C ATOM 1336 O TYR A 88 10.143 -8.237 -1.295 1.00 75.10 O ATOM 1337 CB TYR A 88 8.403 -8.804 1.253 1.00 72.01 C ATOM 1338 CG TYR A 88 8.311 -10.090 0.433 1.00 20.52 C ATOM 1339 CD1 TYR A 88 7.195 -10.367 -0.347 1.00 32.01 C ATOM 1340 CD2 TYR A 88 9.338 -11.027 0.456 1.00 22.14 C ATOM 1341 CE1 TYR A 88 7.105 -11.532 -1.081 1.00 4.21 C ATOM 1342 CE2 TYR A 88 9.256 -12.197 -0.277 1.00 53.24 C ATOM 1343 CZ TYR A 88 8.136 -12.443 -1.043 1.00 63.12 C ATOM 1344 OH TYR A 88 8.045 -13.602 -1.773 1.00 52.23 O ATOM 0 H TYR A 88 7.312 -8.109 -0.988 1.00 63.32 H new ATOM 0 HA TYR A 88 8.728 -6.677 1.142 1.00 54.40 H new ATOM 0 HB2 TYR A 88 9.179 -8.931 2.008 1.00 72.01 H new ATOM 0 HB3 TYR A 88 7.461 -8.664 1.783 1.00 72.01 H new ATOM 0 HD1 TYR A 88 6.382 -9.657 -0.379 1.00 32.01 H new ATOM 0 HD2 TYR A 88 10.215 -10.838 1.057 1.00 22.14 H new ATOM 0 HE1 TYR A 88 6.230 -11.728 -1.682 1.00 4.21 H new ATOM 0 HE2 TYR A 88 10.064 -12.913 -0.250 1.00 53.24 H new ATOM 0 HH TYR A 88 8.855 -14.137 -1.639 1.00 52.23 H new ATOM 1354 N GLY A 89 11.037 -7.060 0.357 1.00 35.15 N ATOM 1355 CA GLY A 89 12.335 -7.140 -0.209 1.00 73.23 C ATOM 1356 C GLY A 89 13.384 -7.283 0.840 1.00 71.41 C ATOM 1357 O GLY A 89 13.430 -8.284 1.536 1.00 40.11 O ATOM 0 H GLY A 89 10.972 -6.525 1.223 1.00 35.15 H new ATOM 0 HA2 GLY A 89 12.383 -7.989 -0.891 1.00 73.23 H new ATOM 0 HA3 GLY A 89 12.530 -6.245 -0.800 1.00 73.23 H new ATOM 1361 N SER A 90 14.140 -6.244 1.022 1.00 40.41 N ATOM 1362 CA SER A 90 15.293 -6.267 1.891 1.00 74.32 C ATOM 1363 C SER A 90 14.891 -6.278 3.366 1.00 64.21 C ATOM 1364 O SER A 90 15.436 -7.029 4.165 1.00 35.54 O ATOM 1365 CB SER A 90 16.147 -5.033 1.561 1.00 55.54 C ATOM 1366 OG SER A 90 17.257 -4.867 2.417 1.00 63.51 O ATOM 0 H SER A 90 13.979 -5.344 0.570 1.00 40.41 H new ATOM 0 HA SER A 90 15.862 -7.181 1.724 1.00 74.32 H new ATOM 0 HB2 SER A 90 16.500 -5.111 0.533 1.00 55.54 H new ATOM 0 HB3 SER A 90 15.520 -4.143 1.616 1.00 55.54 H new ATOM 0 HG SER A 90 17.530 -3.926 2.420 1.00 63.51 H new ATOM 1372 N GLN A 91 13.914 -5.478 3.709 1.00 63.45 N ATOM 1373 CA GLN A 91 13.504 -5.352 5.096 1.00 54.03 C ATOM 1374 C GLN A 91 12.192 -6.102 5.346 1.00 70.35 C ATOM 1375 O GLN A 91 11.605 -6.006 6.429 1.00 41.12 O ATOM 1376 CB GLN A 91 13.335 -3.863 5.445 1.00 2.22 C ATOM 1377 CG GLN A 91 14.568 -2.989 5.152 1.00 34.34 C ATOM 1378 CD GLN A 91 15.806 -3.373 5.955 1.00 73.41 C ATOM 1379 OE1 GLN A 91 16.022 -2.876 7.050 1.00 54.43 O ATOM 1380 NE2 GLN A 91 16.641 -4.217 5.404 1.00 32.44 N ATOM 0 H GLN A 91 13.385 -4.903 3.054 1.00 63.45 H new ATOM 0 HA GLN A 91 14.273 -5.792 5.731 1.00 54.03 H new ATOM 0 HB2 GLN A 91 12.486 -3.468 4.888 1.00 2.22 H new ATOM 0 HB3 GLN A 91 13.089 -3.778 6.504 1.00 2.22 H new ATOM 0 HG2 GLN A 91 14.802 -3.054 4.089 1.00 34.34 H new ATOM 0 HG3 GLN A 91 14.321 -1.948 5.361 1.00 34.34 H new ATOM 0 HE21 GLN A 91 16.433 -4.616 4.488 1.00 32.44 H new ATOM 0 HE22 GLN A 91 17.499 -4.476 5.890 1.00 32.44 H new ATOM 1389 N GLY A 92 11.737 -6.867 4.343 1.00 64.34 N ATOM 1390 CA GLY A 92 10.400 -7.463 4.422 1.00 51.02 C ATOM 1391 C GLY A 92 9.352 -6.359 4.280 1.00 51.41 C ATOM 1392 O GLY A 92 9.702 -5.175 4.237 1.00 23.22 O ATOM 0 H GLY A 92 12.258 -7.082 3.493 1.00 64.34 H new ATOM 0 HA2 GLY A 92 10.272 -8.206 3.635 1.00 51.02 H new ATOM 0 HA3 GLY A 92 10.275 -7.981 5.373 1.00 51.02 H new ATOM 1396 N ASN A 93 8.098 -6.676 4.116 1.00 30.01 N ATOM 1397 CA ASN A 93 7.153 -5.582 4.102 1.00 34.24 C ATOM 1398 C ASN A 93 6.429 -5.384 5.410 1.00 23.42 C ATOM 1399 O ASN A 93 5.828 -4.362 5.606 1.00 60.44 O ATOM 1400 CB ASN A 93 6.212 -5.498 2.892 1.00 25.23 C ATOM 1401 CG ASN A 93 5.272 -6.661 2.682 1.00 11.42 C ATOM 1402 OD1 ASN A 93 4.247 -6.765 3.320 1.00 75.11 O ATOM 1403 ND2 ASN A 93 5.548 -7.459 1.701 1.00 60.11 N ATOM 0 H ASN A 93 7.718 -7.615 3.997 1.00 30.01 H new ATOM 0 HA ASN A 93 7.813 -4.725 3.969 1.00 34.24 H new ATOM 0 HB2 ASN A 93 5.615 -4.591 2.987 1.00 25.23 H new ATOM 0 HB3 ASN A 93 6.821 -5.386 1.995 1.00 25.23 H new ATOM 0 HD21 ASN A 93 4.895 -8.200 1.447 1.00 60.11 H new ATOM 0 HD22 ASN A 93 6.419 -7.347 1.182 1.00 60.11 H new ATOM 1410 N SER A 94 6.572 -6.328 6.329 1.00 62.41 N ATOM 1411 CA SER A 94 5.844 -6.342 7.608 1.00 73.23 C ATOM 1412 C SER A 94 5.807 -4.991 8.364 1.00 54.04 C ATOM 1413 O SER A 94 4.728 -4.526 8.740 1.00 50.51 O ATOM 1414 CB SER A 94 6.411 -7.454 8.475 1.00 73.21 C ATOM 1415 OG SER A 94 7.742 -7.777 8.049 1.00 42.45 O ATOM 0 H SER A 94 7.204 -7.121 6.214 1.00 62.41 H new ATOM 0 HA SER A 94 4.796 -6.529 7.373 1.00 73.23 H new ATOM 0 HB2 SER A 94 6.420 -7.143 9.520 1.00 73.21 H new ATOM 0 HB3 SER A 94 5.775 -8.337 8.410 1.00 73.21 H new ATOM 0 HG SER A 94 7.807 -8.740 7.880 1.00 42.45 H new ATOM 1421 N ILE A 95 6.960 -4.361 8.537 1.00 22.33 N ATOM 1422 CA ILE A 95 7.045 -3.091 9.272 1.00 14.51 C ATOM 1423 C ILE A 95 6.328 -1.988 8.477 1.00 21.13 C ATOM 1424 O ILE A 95 5.473 -1.259 9.007 1.00 45.43 O ATOM 1425 CB ILE A 95 8.541 -2.650 9.558 1.00 2.31 C ATOM 1426 CG1 ILE A 95 9.309 -3.658 10.462 1.00 5.00 C ATOM 1427 CG2 ILE A 95 8.599 -1.258 10.186 1.00 55.01 C ATOM 1428 CD1 ILE A 95 9.682 -4.983 9.813 1.00 34.01 C ATOM 0 H ILE A 95 7.853 -4.702 8.182 1.00 22.33 H new ATOM 0 HA ILE A 95 6.562 -3.243 10.237 1.00 14.51 H new ATOM 0 HB ILE A 95 9.035 -2.632 8.586 1.00 2.31 H new ATOM 0 HG12 ILE A 95 10.222 -3.178 10.814 1.00 5.00 H new ATOM 0 HG13 ILE A 95 8.699 -3.865 11.341 1.00 5.00 H new ATOM 0 HG21 ILE A 95 9.638 -0.985 10.370 1.00 55.01 H new ATOM 0 HG22 ILE A 95 8.148 -0.534 9.508 1.00 55.01 H new ATOM 0 HG23 ILE A 95 8.052 -1.261 11.129 1.00 55.01 H new ATOM 0 HD11 ILE A 95 10.212 -5.605 10.534 1.00 34.01 H new ATOM 0 HD12 ILE A 95 8.777 -5.496 9.488 1.00 34.01 H new ATOM 0 HD13 ILE A 95 10.324 -4.798 8.952 1.00 34.01 H new ATOM 1440 N ARG A 96 6.634 -1.956 7.194 1.00 33.40 N ATOM 1441 CA ARG A 96 6.119 -0.969 6.253 1.00 1.13 C ATOM 1442 C ARG A 96 4.589 -1.066 6.171 1.00 44.40 C ATOM 1443 O ARG A 96 3.876 -0.069 6.344 1.00 74.13 O ATOM 1444 CB ARG A 96 6.724 -1.251 4.857 1.00 60.50 C ATOM 1445 CG ARG A 96 8.262 -1.240 4.788 1.00 14.31 C ATOM 1446 CD ARG A 96 8.761 -1.784 3.440 1.00 72.41 C ATOM 1447 NE ARG A 96 10.225 -1.701 3.288 1.00 31.22 N ATOM 1448 CZ ARG A 96 10.961 -2.267 2.310 1.00 10.41 C ATOM 1449 NH1 ARG A 96 10.402 -2.990 1.331 1.00 31.13 N ATOM 1450 NH2 ARG A 96 12.266 -2.093 2.313 1.00 61.44 N ATOM 0 H ARG A 96 7.264 -2.632 6.762 1.00 33.40 H new ATOM 0 HA ARG A 96 6.393 0.031 6.589 1.00 1.13 H new ATOM 0 HB2 ARG A 96 6.369 -2.224 4.516 1.00 60.50 H new ATOM 0 HB3 ARG A 96 6.341 -0.508 4.157 1.00 60.50 H new ATOM 0 HG2 ARG A 96 8.628 -0.223 4.931 1.00 14.31 H new ATOM 0 HG3 ARG A 96 8.670 -1.842 5.600 1.00 14.31 H new ATOM 0 HD2 ARG A 96 8.450 -2.823 3.337 1.00 72.41 H new ATOM 0 HD3 ARG A 96 8.286 -1.227 2.632 1.00 72.41 H new ATOM 0 HE ARG A 96 10.731 -1.163 3.991 1.00 31.22 H new ATOM 0 HH11 ARG A 96 9.391 -3.126 1.311 1.00 31.13 H new ATOM 0 HH12 ARG A 96 10.987 -3.405 0.606 1.00 31.13 H new ATOM 0 HH21 ARG A 96 12.705 -1.537 3.047 1.00 61.44 H new ATOM 0 HH22 ARG A 96 12.838 -2.514 1.581 1.00 61.44 H new ATOM 1464 N SER A 97 4.110 -2.274 5.956 1.00 60.24 N ATOM 1465 CA SER A 97 2.703 -2.565 5.789 1.00 1.44 C ATOM 1466 C SER A 97 1.898 -2.263 7.038 1.00 11.05 C ATOM 1467 O SER A 97 0.823 -1.679 6.944 1.00 3.23 O ATOM 1468 CB SER A 97 2.539 -4.024 5.418 1.00 72.31 C ATOM 1469 OG SER A 97 3.356 -4.327 4.318 1.00 22.01 O ATOM 0 H SER A 97 4.704 -3.101 5.891 1.00 60.24 H new ATOM 0 HA SER A 97 2.322 -1.922 4.996 1.00 1.44 H new ATOM 0 HB2 SER A 97 2.804 -4.657 6.265 1.00 72.31 H new ATOM 0 HB3 SER A 97 1.497 -4.233 5.178 1.00 72.31 H new ATOM 0 HG SER A 97 3.459 -5.299 4.245 1.00 22.01 H new ATOM 1475 N SER A 98 2.426 -2.634 8.200 1.00 30.03 N ATOM 1476 CA SER A 98 1.719 -2.454 9.452 1.00 71.33 C ATOM 1477 C SER A 98 1.390 -0.977 9.668 1.00 10.23 C ATOM 1478 O SER A 98 0.259 -0.624 10.011 1.00 60.11 O ATOM 1479 CB SER A 98 2.547 -3.018 10.623 1.00 31.22 C ATOM 1480 OG SER A 98 1.819 -3.002 11.843 1.00 24.24 O ATOM 0 H SER A 98 3.347 -3.063 8.295 1.00 30.03 H new ATOM 0 HA SER A 98 0.780 -3.006 9.409 1.00 71.33 H new ATOM 0 HB2 SER A 98 2.850 -4.040 10.394 1.00 31.22 H new ATOM 0 HB3 SER A 98 3.460 -2.433 10.737 1.00 31.22 H new ATOM 0 HG SER A 98 2.376 -3.368 12.561 1.00 24.24 H new ATOM 1486 N ALA A 99 2.371 -0.127 9.451 1.00 11.22 N ATOM 1487 CA ALA A 99 2.174 1.296 9.595 1.00 4.34 C ATOM 1488 C ALA A 99 1.298 1.847 8.484 1.00 3.44 C ATOM 1489 O ALA A 99 0.369 2.604 8.745 1.00 72.43 O ATOM 1490 CB ALA A 99 3.508 2.024 9.673 1.00 51.14 C ATOM 0 H ALA A 99 3.314 -0.399 9.174 1.00 11.22 H new ATOM 0 HA ALA A 99 1.649 1.470 10.534 1.00 4.34 H new ATOM 0 HB1 ALA A 99 3.333 3.094 9.781 1.00 51.14 H new ATOM 0 HB2 ALA A 99 4.071 1.660 10.532 1.00 51.14 H new ATOM 0 HB3 ALA A 99 4.077 1.840 8.762 1.00 51.14 H new ATOM 1496 N LEU A 100 1.575 1.419 7.262 1.00 51.14 N ATOM 1497 CA LEU A 100 0.877 1.895 6.082 1.00 21.15 C ATOM 1498 C LEU A 100 -0.619 1.663 6.206 1.00 14.15 C ATOM 1499 O LEU A 100 -1.412 2.583 6.043 1.00 1.01 O ATOM 1500 CB LEU A 100 1.391 1.136 4.873 1.00 73.12 C ATOM 1501 CG LEU A 100 0.934 1.636 3.523 1.00 42.23 C ATOM 1502 CD1 LEU A 100 1.515 3.006 3.230 1.00 62.24 C ATOM 1503 CD2 LEU A 100 1.305 0.651 2.454 1.00 61.02 C ATOM 0 H LEU A 100 2.296 0.726 7.062 1.00 51.14 H new ATOM 0 HA LEU A 100 1.057 2.965 5.975 1.00 21.15 H new ATOM 0 HB2 LEU A 100 2.481 1.157 4.894 1.00 73.12 H new ATOM 0 HB3 LEU A 100 1.090 0.093 4.971 1.00 73.12 H new ATOM 0 HG LEU A 100 -0.151 1.734 3.537 1.00 42.23 H new ATOM 0 HD11 LEU A 100 1.172 3.345 2.253 1.00 62.24 H new ATOM 0 HD12 LEU A 100 1.188 3.711 3.994 1.00 62.24 H new ATOM 0 HD13 LEU A 100 2.603 2.948 3.232 1.00 62.24 H new ATOM 0 HD21 LEU A 100 0.970 1.022 1.485 1.00 61.02 H new ATOM 0 HD22 LEU A 100 2.387 0.521 2.439 1.00 61.02 H new ATOM 0 HD23 LEU A 100 0.827 -0.307 2.660 1.00 61.02 H new ATOM 1515 N ILE A 101 -0.976 0.448 6.559 1.00 63.22 N ATOM 1516 CA ILE A 101 -2.366 0.036 6.682 1.00 11.14 C ATOM 1517 C ILE A 101 -3.125 0.860 7.723 1.00 25.30 C ATOM 1518 O ILE A 101 -4.251 1.306 7.451 1.00 43.35 O ATOM 1519 CB ILE A 101 -2.479 -1.493 6.974 1.00 60.54 C ATOM 1520 CG1 ILE A 101 -2.045 -2.319 5.745 1.00 50.13 C ATOM 1521 CG2 ILE A 101 -3.867 -1.899 7.453 1.00 32.22 C ATOM 1522 CD1 ILE A 101 -2.852 -2.053 4.482 1.00 52.15 C ATOM 0 H ILE A 101 -0.307 -0.292 6.772 1.00 63.22 H new ATOM 0 HA ILE A 101 -2.841 0.230 5.720 1.00 11.14 H new ATOM 0 HB ILE A 101 -1.795 -1.711 7.795 1.00 60.54 H new ATOM 0 HG12 ILE A 101 -0.995 -2.113 5.539 1.00 50.13 H new ATOM 0 HG13 ILE A 101 -2.120 -3.378 5.991 1.00 50.13 H new ATOM 0 HG21 ILE A 101 -3.888 -2.973 7.641 1.00 32.22 H new ATOM 0 HG22 ILE A 101 -4.105 -1.365 8.373 1.00 32.22 H new ATOM 0 HG23 ILE A 101 -4.603 -1.650 6.688 1.00 32.22 H new ATOM 0 HD11 ILE A 101 -2.476 -2.678 3.672 1.00 52.15 H new ATOM 0 HD12 ILE A 101 -3.901 -2.288 4.664 1.00 52.15 H new ATOM 0 HD13 ILE A 101 -2.758 -1.003 4.204 1.00 52.15 H new ATOM 1534 N GLY A 102 -2.479 1.129 8.868 1.00 14.54 N ATOM 1535 CA GLY A 102 -3.135 1.893 9.920 1.00 10.32 C ATOM 1536 C GLY A 102 -3.514 3.279 9.452 1.00 2.34 C ATOM 1537 O GLY A 102 -4.591 3.800 9.767 1.00 72.43 O ATOM 0 H GLY A 102 -1.526 0.834 9.079 1.00 14.54 H new ATOM 0 HA2 GLY A 102 -4.029 1.364 10.251 1.00 10.32 H new ATOM 0 HA3 GLY A 102 -2.472 1.969 10.782 1.00 10.32 H new ATOM 1541 N ILE A 103 -2.635 3.854 8.679 1.00 51.24 N ATOM 1542 CA ILE A 103 -2.827 5.167 8.127 1.00 72.42 C ATOM 1543 C ILE A 103 -3.911 5.144 7.060 1.00 0.41 C ATOM 1544 O ILE A 103 -4.832 5.960 7.096 1.00 12.24 O ATOM 1545 CB ILE A 103 -1.511 5.668 7.508 1.00 73.42 C ATOM 1546 CG1 ILE A 103 -0.430 5.673 8.576 1.00 64.22 C ATOM 1547 CG2 ILE A 103 -1.686 7.071 6.909 1.00 64.05 C ATOM 1548 CD1 ILE A 103 0.950 5.786 8.021 1.00 62.13 C ATOM 0 H ILE A 103 -1.753 3.418 8.411 1.00 51.24 H new ATOM 0 HA ILE A 103 -3.135 5.838 8.928 1.00 72.42 H new ATOM 0 HB ILE A 103 -1.219 4.999 6.699 1.00 73.42 H new ATOM 0 HG12 ILE A 103 -0.608 6.504 9.259 1.00 64.22 H new ATOM 0 HG13 ILE A 103 -0.504 4.757 9.162 1.00 64.22 H new ATOM 0 HG21 ILE A 103 -0.742 7.403 6.478 1.00 64.05 H new ATOM 0 HG22 ILE A 103 -2.450 7.042 6.132 1.00 64.05 H new ATOM 0 HG23 ILE A 103 -1.991 7.765 7.692 1.00 64.05 H new ATOM 0 HD11 ILE A 103 1.672 5.784 8.838 1.00 62.13 H new ATOM 0 HD12 ILE A 103 1.147 4.942 7.360 1.00 62.13 H new ATOM 0 HD13 ILE A 103 1.041 6.715 7.459 1.00 62.13 H new ATOM 1560 N ILE A 104 -3.822 4.180 6.144 1.00 10.15 N ATOM 1561 CA ILE A 104 -4.729 4.127 5.006 1.00 74.52 C ATOM 1562 C ILE A 104 -6.176 3.961 5.440 1.00 61.05 C ATOM 1563 O ILE A 104 -7.021 4.782 5.081 1.00 24.00 O ATOM 1564 CB ILE A 104 -4.369 2.945 4.045 1.00 54.34 C ATOM 1565 CG1 ILE A 104 -2.971 3.118 3.459 1.00 70.13 C ATOM 1566 CG2 ILE A 104 -5.398 2.815 2.914 1.00 21.11 C ATOM 1567 CD1 ILE A 104 -2.511 1.928 2.641 1.00 62.43 C ATOM 0 H ILE A 104 -3.132 3.429 6.170 1.00 10.15 H new ATOM 0 HA ILE A 104 -4.615 5.078 4.486 1.00 74.52 H new ATOM 0 HB ILE A 104 -4.387 2.030 4.637 1.00 54.34 H new ATOM 0 HG12 ILE A 104 -2.956 4.009 2.831 1.00 70.13 H new ATOM 0 HG13 ILE A 104 -2.263 3.287 4.270 1.00 70.13 H new ATOM 0 HG21 ILE A 104 -5.121 1.986 2.263 1.00 21.11 H new ATOM 0 HG22 ILE A 104 -6.384 2.629 3.339 1.00 21.11 H new ATOM 0 HG23 ILE A 104 -5.421 3.738 2.335 1.00 21.11 H new ATOM 0 HD11 ILE A 104 -1.510 2.118 2.254 1.00 62.43 H new ATOM 0 HD12 ILE A 104 -2.494 1.038 3.271 1.00 62.43 H new ATOM 0 HD13 ILE A 104 -3.198 1.771 1.809 1.00 62.43 H new ATOM 1579 N GLU A 105 -6.452 2.971 6.275 1.00 14.21 N ATOM 1580 CA GLU A 105 -7.825 2.714 6.641 1.00 4.31 C ATOM 1581 C GLU A 105 -8.421 3.828 7.489 1.00 54.20 C ATOM 1582 O GLU A 105 -9.554 4.256 7.254 1.00 73.42 O ATOM 1583 CB GLU A 105 -8.049 1.317 7.221 1.00 50.54 C ATOM 1584 CG GLU A 105 -7.415 1.029 8.558 1.00 73.11 C ATOM 1585 CD GLU A 105 -7.667 -0.397 8.971 1.00 24.25 C ATOM 1586 OE1 GLU A 105 -8.850 -0.844 8.963 1.00 55.44 O ATOM 1587 OE2 GLU A 105 -6.700 -1.122 9.251 1.00 15.23 O ATOM 0 H GLU A 105 -5.762 2.351 6.699 1.00 14.21 H new ATOM 0 HA GLU A 105 -8.389 2.719 5.708 1.00 4.31 H new ATOM 0 HB2 GLU A 105 -9.123 1.155 7.312 1.00 50.54 H new ATOM 0 HB3 GLU A 105 -7.676 0.587 6.503 1.00 50.54 H new ATOM 0 HG2 GLU A 105 -6.342 1.213 8.504 1.00 73.11 H new ATOM 0 HG3 GLU A 105 -7.817 1.707 9.310 1.00 73.11 H new ATOM 1594 N GLY A 106 -7.632 4.342 8.425 1.00 34.13 N ATOM 1595 CA GLY A 106 -8.097 5.403 9.290 1.00 55.13 C ATOM 1596 C GLY A 106 -8.330 6.696 8.533 1.00 3.45 C ATOM 1597 O GLY A 106 -9.286 7.426 8.820 1.00 43.21 O ATOM 0 H GLY A 106 -6.674 4.039 8.599 1.00 34.13 H new ATOM 0 HA2 GLY A 106 -9.024 5.095 9.774 1.00 55.13 H new ATOM 0 HA3 GLY A 106 -7.365 5.573 10.080 1.00 55.13 H new ATOM 1601 N ASN A 107 -7.482 6.962 7.542 1.00 23.01 N ATOM 1602 CA ASN A 107 -7.611 8.162 6.709 1.00 73.34 C ATOM 1603 C ASN A 107 -8.904 8.088 5.922 1.00 5.10 C ATOM 1604 O ASN A 107 -9.648 9.065 5.835 1.00 14.54 O ATOM 1605 CB ASN A 107 -6.418 8.292 5.746 1.00 22.25 C ATOM 1606 CG ASN A 107 -6.458 9.556 4.893 1.00 11.24 C ATOM 1607 OD1 ASN A 107 -7.009 9.573 3.801 1.00 33.41 O ATOM 1608 ND2 ASN A 107 -5.848 10.616 5.378 1.00 3.13 N ATOM 0 H ASN A 107 -6.695 6.363 7.293 1.00 23.01 H new ATOM 0 HA ASN A 107 -7.622 9.039 7.356 1.00 73.34 H new ATOM 0 HB2 ASN A 107 -5.493 8.282 6.323 1.00 22.25 H new ATOM 0 HB3 ASN A 107 -6.394 7.422 5.090 1.00 22.25 H new ATOM 0 HD21 ASN A 107 -5.826 11.482 4.840 1.00 3.13 H new ATOM 0 HD22 ASN A 107 -5.397 10.571 6.292 1.00 3.13 H new ATOM 1615 N ILE A 108 -9.186 6.902 5.399 1.00 50.52 N ATOM 1616 CA ILE A 108 -10.406 6.644 4.646 1.00 3.43 C ATOM 1617 C ILE A 108 -11.624 6.832 5.530 1.00 61.23 C ATOM 1618 O ILE A 108 -12.586 7.475 5.132 1.00 2.04 O ATOM 1619 CB ILE A 108 -10.414 5.213 4.065 1.00 20.32 C ATOM 1620 CG1 ILE A 108 -9.284 5.037 3.056 1.00 74.21 C ATOM 1621 CG2 ILE A 108 -11.765 4.883 3.438 1.00 51.13 C ATOM 1622 CD1 ILE A 108 -9.106 3.615 2.595 1.00 1.43 C ATOM 0 H ILE A 108 -8.574 6.090 5.485 1.00 50.52 H new ATOM 0 HA ILE A 108 -10.439 7.356 3.822 1.00 3.43 H new ATOM 0 HB ILE A 108 -10.250 4.513 4.884 1.00 20.32 H new ATOM 0 HG12 ILE A 108 -9.479 5.669 2.190 1.00 74.21 H new ATOM 0 HG13 ILE A 108 -8.352 5.385 3.502 1.00 74.21 H new ATOM 0 HG21 ILE A 108 -11.742 3.870 3.037 1.00 51.13 H new ATOM 0 HG22 ILE A 108 -12.545 4.956 4.196 1.00 51.13 H new ATOM 0 HG23 ILE A 108 -11.974 5.587 2.633 1.00 51.13 H new ATOM 0 HD11 ILE A 108 -8.286 3.565 1.879 1.00 1.43 H new ATOM 0 HD12 ILE A 108 -8.880 2.980 3.452 1.00 1.43 H new ATOM 0 HD13 ILE A 108 -10.024 3.269 2.120 1.00 1.43 H new ATOM 1634 N ARG A 109 -11.561 6.299 6.737 1.00 63.41 N ATOM 1635 CA ARG A 109 -12.667 6.409 7.676 1.00 41.11 C ATOM 1636 C ARG A 109 -12.978 7.866 7.945 1.00 22.43 C ATOM 1637 O ARG A 109 -14.124 8.239 8.062 1.00 34.10 O ATOM 1638 CB ARG A 109 -12.340 5.720 8.999 1.00 1.13 C ATOM 1639 CG ARG A 109 -12.120 4.208 8.940 1.00 20.33 C ATOM 1640 CD ARG A 109 -13.413 3.382 8.864 1.00 74.11 C ATOM 1641 NE ARG A 109 -14.187 3.501 7.596 1.00 34.22 N ATOM 1642 CZ ARG A 109 -14.830 2.465 6.999 1.00 24.32 C ATOM 1643 NH1 ARG A 109 -14.715 1.221 7.502 1.00 4.41 N ATOM 1644 NH2 ARG A 109 -15.538 2.654 5.888 1.00 65.35 N ATOM 0 H ARG A 109 -10.755 5.785 7.092 1.00 63.41 H new ATOM 0 HA ARG A 109 -13.531 5.919 7.228 1.00 41.11 H new ATOM 0 HB2 ARG A 109 -11.442 6.180 9.412 1.00 1.13 H new ATOM 0 HB3 ARG A 109 -13.151 5.920 9.699 1.00 1.13 H new ATOM 0 HG2 ARG A 109 -11.503 3.976 8.072 1.00 20.33 H new ATOM 0 HG3 ARG A 109 -11.558 3.900 9.821 1.00 20.33 H new ATOM 0 HD2 ARG A 109 -13.160 2.333 9.016 1.00 74.11 H new ATOM 0 HD3 ARG A 109 -14.059 3.677 9.691 1.00 74.11 H new ATOM 0 HE ARG A 109 -14.237 4.417 7.149 1.00 34.22 H new ATOM 0 HH11 ARG A 109 -14.145 1.057 8.332 1.00 4.41 H new ATOM 0 HH12 ARG A 109 -15.198 0.443 7.053 1.00 4.41 H new ATOM 0 HH21 ARG A 109 -15.602 3.585 5.476 1.00 65.35 H new ATOM 0 HH22 ARG A 109 -16.017 1.868 5.448 1.00 65.35 H new ATOM 1658 N TYR A 110 -11.952 8.672 8.090 1.00 22.30 N ATOM 1659 CA TYR A 110 -12.176 10.072 8.316 1.00 2.52 C ATOM 1660 C TYR A 110 -12.625 10.842 7.056 1.00 71.31 C ATOM 1661 O TYR A 110 -13.640 11.521 7.084 1.00 12.31 O ATOM 1662 CB TYR A 110 -10.947 10.725 8.975 1.00 35.30 C ATOM 1663 CG TYR A 110 -11.087 12.212 9.247 1.00 14.40 C ATOM 1664 CD1 TYR A 110 -11.780 12.672 10.361 1.00 10.41 C ATOM 1665 CD2 TYR A 110 -10.523 13.154 8.391 1.00 74.31 C ATOM 1666 CE1 TYR A 110 -11.908 14.025 10.612 1.00 35.41 C ATOM 1667 CE2 TYR A 110 -10.648 14.507 8.636 1.00 63.21 C ATOM 1668 CZ TYR A 110 -11.341 14.937 9.746 1.00 72.34 C ATOM 1669 OH TYR A 110 -11.468 16.284 9.994 1.00 64.14 O ATOM 0 H TYR A 110 -10.974 8.386 8.056 1.00 22.30 H new ATOM 0 HA TYR A 110 -13.016 10.138 9.007 1.00 2.52 H new ATOM 0 HB2 TYR A 110 -10.743 10.215 9.917 1.00 35.30 H new ATOM 0 HB3 TYR A 110 -10.081 10.567 8.333 1.00 35.30 H new ATOM 0 HD1 TYR A 110 -12.225 11.961 11.041 1.00 10.41 H new ATOM 0 HD2 TYR A 110 -9.978 12.821 7.520 1.00 74.31 H new ATOM 0 HE1 TYR A 110 -12.449 14.367 11.482 1.00 35.41 H new ATOM 0 HE2 TYR A 110 -10.205 15.224 7.961 1.00 63.21 H new ATOM 0 HH TYR A 110 -11.011 16.791 9.290 1.00 64.14 H new ATOM 1679 N ALA A 111 -11.859 10.739 5.970 1.00 12.31 N ATOM 1680 CA ALA A 111 -12.165 11.521 4.768 1.00 24.44 C ATOM 1681 C ALA A 111 -13.418 11.055 4.037 1.00 3.04 C ATOM 1682 O ALA A 111 -14.304 11.837 3.723 1.00 72.11 O ATOM 1683 CB ALA A 111 -10.967 11.525 3.827 1.00 54.11 C ATOM 0 H ALA A 111 -11.039 10.137 5.895 1.00 12.31 H new ATOM 0 HA ALA A 111 -12.375 12.536 5.105 1.00 24.44 H new ATOM 0 HB1 ALA A 111 -11.205 12.108 2.938 1.00 54.11 H new ATOM 0 HB2 ALA A 111 -10.109 11.968 4.333 1.00 54.11 H new ATOM 0 HB3 ALA A 111 -10.729 10.502 3.537 1.00 54.11 H new ATOM 1689 N ASN A 112 -13.453 9.776 3.770 1.00 40.51 N ATOM 1690 CA ASN A 112 -14.524 9.143 3.012 1.00 54.34 C ATOM 1691 C ASN A 112 -15.735 8.858 3.880 1.00 11.34 C ATOM 1692 O ASN A 112 -16.866 8.838 3.410 1.00 73.10 O ATOM 1693 CB ASN A 112 -14.001 7.854 2.401 1.00 70.02 C ATOM 1694 CG ASN A 112 -14.945 7.231 1.382 1.00 74.43 C ATOM 1695 OD1 ASN A 112 -15.761 6.319 1.809 1.00 3.14 O flip ATOM 1696 ND2 ASN A 112 -14.884 7.537 0.188 1.00 33.23 N flip ATOM 0 H ASN A 112 -12.729 9.125 4.074 1.00 40.51 H new ATOM 0 HA ASN A 112 -14.844 9.828 2.227 1.00 54.34 H new ATOM 0 HB2 ASN A 112 -13.043 8.053 1.921 1.00 70.02 H new ATOM 0 HB3 ASN A 112 -13.815 7.134 3.198 1.00 70.02 H new ATOM 0 HD21 ASN A 112 -14.233 8.259 -0.121 1.00 33.23 H new ATOM 0 HD22 ASN A 112 -15.485 7.068 -0.490 1.00 33.23 H new ATOM 1703 N THR A 113 -15.452 8.614 5.146 1.00 11.31 N ATOM 1704 CA THR A 113 -16.385 8.172 6.182 1.00 21.44 C ATOM 1705 C THR A 113 -16.817 6.708 6.000 1.00 22.40 C ATOM 1706 O THR A 113 -16.296 5.807 6.694 1.00 4.20 O ATOM 1707 CB THR A 113 -17.588 9.145 6.512 1.00 1.23 C ATOM 1708 OG1 THR A 113 -18.420 9.410 5.372 1.00 73.43 O ATOM 1709 CG2 THR A 113 -17.067 10.460 7.079 1.00 72.35 C ATOM 0 H THR A 113 -14.505 8.725 5.508 1.00 11.31 H new ATOM 0 HA THR A 113 -15.790 8.224 7.094 1.00 21.44 H new ATOM 0 HB THR A 113 -18.203 8.636 7.254 1.00 1.23 H new ATOM 0 HG1 THR A 113 -18.054 8.952 4.586 1.00 73.43 H new ATOM 0 HG21 THR A 113 -17.907 11.119 7.301 1.00 72.35 H new ATOM 0 HG22 THR A 113 -16.507 10.265 7.994 1.00 72.35 H new ATOM 0 HG23 THR A 113 -16.414 10.938 6.349 1.00 72.35 H new ATOM 1717 N HIS A 114 -17.696 6.451 5.055 1.00 62.21 N ATOM 1718 CA HIS A 114 -18.162 5.104 4.807 1.00 75.45 C ATOM 1719 C HIS A 114 -17.329 4.504 3.665 1.00 52.01 C ATOM 1720 O HIS A 114 -17.832 4.355 2.526 1.00 55.43 O ATOM 1721 CB HIS A 114 -19.671 5.115 4.463 1.00 32.33 C ATOM 1722 CG HIS A 114 -20.300 3.747 4.347 1.00 15.12 C ATOM 1723 ND1 HIS A 114 -20.121 2.921 3.271 1.00 75.34 N ATOM 1724 CD2 HIS A 114 -21.117 3.079 5.198 1.00 24.32 C ATOM 1725 CE1 HIS A 114 -20.817 1.802 3.477 1.00 10.55 C ATOM 1726 NE2 HIS A 114 -21.442 1.843 4.641 1.00 14.41 N ATOM 0 H HIS A 114 -18.103 7.160 4.444 1.00 62.21 H new ATOM 0 HA HIS A 114 -18.038 4.490 5.699 1.00 75.45 H new ATOM 0 HB2 HIS A 114 -20.201 5.680 5.230 1.00 32.33 H new ATOM 0 HB3 HIS A 114 -19.812 5.646 3.522 1.00 32.33 H new ATOM 0 HD1 HIS A 114 -19.552 3.126 2.450 1.00 75.34 H new ATOM 0 HD2 HIS A 114 -21.461 3.446 6.154 1.00 24.32 H new ATOM 0 HE1 HIS A 114 -20.864 0.974 2.786 1.00 10.55 H new TER 1734 HIS A 114