USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1086 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 65 ASN : amide:sc= -0.265 K(o=-0.49,f=-2.7!) USER MOD Set 1.2: A 69 GLN : amide:sc= -0.221 X(o=-0.49,f=-0.73) USER MOD Set 2.1: A 26 SER OG : rot 165:sc= -0.222 USER MOD Set 2.2: A 66 HIS :FLIP no HD1:sc= 0.469 F(o=-0.88,f=0.25) USER MOD Set 3.1: A 13 ASN : amide:sc= -0.018 X(o=0.002,f=-0.054) USER MOD Set 3.2: A 46 TYR OH : rot 180:sc= 0.02 USER MOD Set 4.1: A 9 THR OG1 : rot 69:sc= 1.01 USER MOD Set 4.2: A 42 MET CE :methyl -174:sc= -0.593 (180deg=-0.412) USER MOD Set 5.1: A 7 GLN : amide:sc= 0.25 K(o=0.68,f=-1.8) USER MOD Set 5.2: A 11 LYS NZ :NH3+ 136:sc= 0.435 (180deg=-0.0436) USER MOD Single : A 5 SER OG : rot -26:sc= 0.423 USER MOD Single : A 10 THR OG1 : rot 71:sc= 1.3 USER MOD Single : A 14 THR OG1 : rot -41:sc= 0.967 USER MOD Single : A 18 SER OG : rot 24:sc= 0.187 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0909 F(o=-0.71,f=-0.091) USER MOD Single : A 21 SER OG : rot -138:sc= 0.366 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0337 USER MOD Single : A 24 SER OG : rot 180:sc= -0.121 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.117 (180deg=-0.677) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -119:sc= -4.48! (180deg=-7.86!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0804 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -152:sc= -0.0726 (180deg=-1.13) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.126 (180deg=-0.995) USER MOD Single : A 74 GLN : amide:sc= -0.392 K(o=-0.39,f=-0.98) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0569 F(o=-1.3,f=-0.057) USER MOD Single : A 82 SER OG : rot -36:sc= 0.11 USER MOD Single : A 85 LYS NZ :NH3+ -148:sc= -0.298 (180deg=-1.37) USER MOD Single : A 95 ASN : amide:sc= -3.99! C(o=-4!,f=-5.3!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -136:sc= -4.06! (180deg=-5.57!) USER MOD Single : A 117 ASN :FLIP amide:sc= 0.822 F(o=0,f=0.82) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.18) USER MOD Single : A 125 ASN : amide:sc= -0.395 K(o=-0.4,f=-1.1) USER MOD Single : A 130 SER OG : rot 172:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 0.156 -6.184 2.240 1.00 13.33 N ATOM 43 CA SER A 5 -0.047 -6.248 3.683 1.00 55.41 C ATOM 44 C SER A 5 -0.144 -7.695 4.154 1.00 31.43 C ATOM 45 O SER A 5 0.082 -7.994 5.326 1.00 3.54 O ATOM 46 CB SER A 5 -1.315 -5.486 4.075 1.00 71.01 C ATOM 47 OG SER A 5 -2.349 -5.696 3.129 1.00 13.01 O ATOM 0 HA SER A 5 0.812 -5.783 4.167 1.00 55.41 H new ATOM 0 HB2 SER A 5 -1.648 -5.811 5.061 1.00 71.01 H new ATOM 0 HB3 SER A 5 -1.095 -4.421 4.148 1.00 71.01 H new ATOM 0 HG SER A 5 -1.956 -5.916 2.258 1.00 13.01 H new ATOM 53 N GLU A 6 -0.482 -8.590 3.231 1.00 32.42 N ATOM 54 CA GLU A 6 -0.610 -10.007 3.552 1.00 22.04 C ATOM 55 C GLU A 6 0.701 -10.560 4.105 1.00 13.34 C ATOM 56 O GLU A 6 0.701 -11.401 5.003 1.00 33.42 O ATOM 57 CB GLU A 6 -1.026 -10.799 2.311 1.00 14.30 C ATOM 58 CG GLU A 6 -0.110 -10.587 1.118 1.00 43.41 C ATOM 59 CD GLU A 6 -0.483 -11.456 -0.067 1.00 33.54 C ATOM 60 OE1 GLU A 6 -1.525 -12.142 0.005 1.00 42.54 O ATOM 61 OE2 GLU A 6 0.267 -11.451 -1.065 1.00 74.54 O ATOM 0 H GLU A 6 -0.672 -8.359 2.256 1.00 32.42 H new ATOM 0 HA GLU A 6 -1.380 -10.112 4.316 1.00 22.04 H new ATOM 0 HB2 GLU A 6 -1.047 -11.860 2.558 1.00 14.30 H new ATOM 0 HB3 GLU A 6 -2.041 -10.516 2.033 1.00 14.30 H new ATOM 0 HG2 GLU A 6 -0.145 -9.539 0.820 1.00 43.41 H new ATOM 0 HG3 GLU A 6 0.918 -10.801 1.411 1.00 43.41 H new ATOM 68 N GLN A 7 1.815 -10.080 3.562 1.00 74.12 N ATOM 69 CA GLN A 7 3.132 -10.527 4.000 1.00 54.03 C ATOM 70 C GLN A 7 3.422 -10.054 5.420 1.00 25.12 C ATOM 71 O GLN A 7 3.719 -10.858 6.305 1.00 54.24 O ATOM 72 CB GLN A 7 4.211 -10.011 3.047 1.00 64.43 C ATOM 73 CG GLN A 7 4.428 -10.902 1.834 1.00 53.44 C ATOM 74 CD GLN A 7 5.016 -12.251 2.197 1.00 3.52 C ATOM 75 OE1 GLN A 7 5.525 -12.441 3.302 1.00 21.31 O ATOM 76 NE2 GLN A 7 4.950 -13.196 1.267 1.00 52.21 N ATOM 0 H GLN A 7 1.832 -9.382 2.818 1.00 74.12 H new ATOM 0 HA GLN A 7 3.140 -11.617 3.991 1.00 54.03 H new ATOM 0 HB2 GLN A 7 3.938 -9.011 2.709 1.00 64.43 H new ATOM 0 HB3 GLN A 7 5.151 -9.918 3.592 1.00 64.43 H new ATOM 0 HG2 GLN A 7 3.477 -11.051 1.323 1.00 53.44 H new ATOM 0 HG3 GLN A 7 5.092 -10.398 1.132 1.00 53.44 H new ATOM 0 HE21 GLN A 7 4.519 -12.994 0.365 1.00 52.21 H new ATOM 0 HE22 GLN A 7 5.330 -14.124 1.455 1.00 52.21 H new ATOM 85 N PHE A 8 3.336 -8.745 5.632 1.00 65.00 N ATOM 86 CA PHE A 8 3.592 -8.165 6.945 1.00 12.42 C ATOM 87 C PHE A 8 2.658 -8.761 7.994 1.00 23.44 C ATOM 88 O PHE A 8 3.063 -9.017 9.129 1.00 34.12 O ATOM 89 CB PHE A 8 3.418 -6.645 6.897 1.00 24.21 C ATOM 90 CG PHE A 8 3.854 -5.952 8.156 1.00 3.03 C ATOM 91 CD1 PHE A 8 5.031 -6.315 8.791 1.00 62.31 C ATOM 92 CD2 PHE A 8 3.087 -4.937 8.705 1.00 45.20 C ATOM 93 CE1 PHE A 8 5.434 -5.680 9.950 1.00 0.51 C ATOM 94 CE2 PHE A 8 3.485 -4.297 9.864 1.00 65.12 C ATOM 95 CZ PHE A 8 4.661 -4.668 10.487 1.00 71.45 C ATOM 0 H PHE A 8 3.091 -8.066 4.911 1.00 65.00 H new ATOM 0 HA PHE A 8 4.620 -8.398 7.224 1.00 12.42 H new ATOM 0 HB2 PHE A 8 3.988 -6.248 6.057 1.00 24.21 H new ATOM 0 HB3 PHE A 8 2.370 -6.413 6.708 1.00 24.21 H new ATOM 0 HD1 PHE A 8 5.640 -7.104 8.375 1.00 62.31 H new ATOM 0 HD2 PHE A 8 2.167 -4.642 8.222 1.00 45.20 H new ATOM 0 HE1 PHE A 8 6.352 -5.974 10.436 1.00 0.51 H new ATOM 0 HE2 PHE A 8 2.877 -3.508 10.282 1.00 65.12 H new ATOM 0 HZ PHE A 8 4.975 -4.168 11.391 1.00 71.45 H new ATOM 105 N THR A 9 1.406 -8.981 7.607 1.00 14.21 N ATOM 106 CA THR A 9 0.413 -9.545 8.513 1.00 23.41 C ATOM 107 C THR A 9 0.695 -11.018 8.789 1.00 5.21 C ATOM 108 O THR A 9 0.780 -11.439 9.943 1.00 21.32 O ATOM 109 CB THR A 9 -1.011 -9.405 7.944 1.00 72.31 C ATOM 110 OG1 THR A 9 -1.270 -8.039 7.602 1.00 32.05 O ATOM 111 CG2 THR A 9 -2.046 -9.887 8.950 1.00 43.21 C ATOM 0 H THR A 9 1.055 -8.777 6.671 1.00 14.21 H new ATOM 0 HA THR A 9 0.480 -8.984 9.445 1.00 23.41 H new ATOM 0 HB THR A 9 -1.083 -10.023 7.049 1.00 72.31 H new ATOM 0 HG1 THR A 9 -0.718 -7.784 6.834 1.00 32.05 H new ATOM 0 HG21 THR A 9 -3.044 -9.778 8.526 1.00 43.21 H new ATOM 0 HG22 THR A 9 -1.864 -10.936 9.185 1.00 43.21 H new ATOM 0 HG23 THR A 9 -1.972 -9.293 9.861 1.00 43.21 H new ATOM 119 N THR A 10 0.841 -11.798 7.722 1.00 4.24 N ATOM 120 CA THR A 10 1.114 -13.224 7.850 1.00 51.11 C ATOM 121 C THR A 10 2.375 -13.472 8.669 1.00 1.54 C ATOM 122 O THR A 10 2.431 -14.398 9.478 1.00 70.41 O ATOM 123 CB THR A 10 1.272 -13.891 6.471 1.00 62.14 C ATOM 124 OG1 THR A 10 0.045 -13.801 5.739 1.00 53.41 O ATOM 125 CG2 THR A 10 1.674 -15.351 6.619 1.00 50.24 C ATOM 0 H THR A 10 0.775 -11.466 6.760 1.00 4.24 H new ATOM 0 HA THR A 10 0.259 -13.664 8.363 1.00 51.11 H new ATOM 0 HB THR A 10 2.058 -13.367 5.927 1.00 62.14 H new ATOM 0 HG1 THR A 10 -0.106 -12.872 5.466 1.00 53.41 H new ATOM 0 HG21 THR A 10 1.780 -15.801 5.632 1.00 50.24 H new ATOM 0 HG22 THR A 10 2.624 -15.415 7.150 1.00 50.24 H new ATOM 0 HG23 THR A 10 0.907 -15.884 7.181 1.00 50.24 H new ATOM 133 N LYS A 11 3.387 -12.637 8.456 1.00 12.15 N ATOM 134 CA LYS A 11 4.648 -12.763 9.177 1.00 62.32 C ATOM 135 C LYS A 11 4.485 -12.352 10.637 1.00 73.44 C ATOM 136 O LYS A 11 4.967 -13.034 11.542 1.00 64.11 O ATOM 137 CB LYS A 11 5.727 -11.905 8.512 1.00 30.01 C ATOM 138 CG LYS A 11 6.122 -12.389 7.128 1.00 53.15 C ATOM 139 CD LYS A 11 7.007 -13.622 7.199 1.00 12.10 C ATOM 140 CE LYS A 11 7.251 -14.213 5.819 1.00 22.42 C ATOM 141 NZ LYS A 11 7.961 -13.258 4.924 1.00 31.10 N ATOM 0 H LYS A 11 3.358 -11.865 7.789 1.00 12.15 H new ATOM 0 HA LYS A 11 4.953 -13.809 9.145 1.00 62.32 H new ATOM 0 HB2 LYS A 11 5.369 -10.878 8.440 1.00 30.01 H new ATOM 0 HB3 LYS A 11 6.612 -11.891 9.149 1.00 30.01 H new ATOM 0 HG2 LYS A 11 5.225 -12.617 6.552 1.00 53.15 H new ATOM 0 HG3 LYS A 11 6.647 -11.593 6.600 1.00 53.15 H new ATOM 0 HD2 LYS A 11 7.961 -13.361 7.658 1.00 12.10 H new ATOM 0 HD3 LYS A 11 6.540 -14.370 7.839 1.00 12.10 H new ATOM 0 HE2 LYS A 11 7.838 -15.127 5.914 1.00 22.42 H new ATOM 0 HE3 LYS A 11 6.298 -14.492 5.370 1.00 22.42 H new ATOM 0 HZ1 LYS A 11 8.712 -13.759 4.408 1.00 31.10 H new ATOM 0 HZ2 LYS A 11 7.286 -12.851 4.245 1.00 31.10 H new ATOM 0 HZ3 LYS A 11 8.382 -12.496 5.493 1.00 31.10 H new ATOM 155 N LEU A 12 3.801 -11.236 10.859 1.00 54.41 N ATOM 156 CA LEU A 12 3.572 -10.735 12.210 1.00 52.42 C ATOM 157 C LEU A 12 2.803 -11.753 13.045 1.00 15.12 C ATOM 158 O LEU A 12 2.985 -11.839 14.259 1.00 73.22 O ATOM 159 CB LEU A 12 2.803 -9.413 12.161 1.00 4.24 C ATOM 160 CG LEU A 12 3.648 -8.151 11.979 1.00 24.52 C ATOM 161 CD1 LEU A 12 2.760 -6.950 11.697 1.00 51.02 C ATOM 162 CD2 LEU A 12 4.509 -7.904 13.210 1.00 53.54 C ATOM 0 H LEU A 12 3.395 -10.660 10.121 1.00 54.41 H new ATOM 0 HA LEU A 12 4.542 -10.567 12.678 1.00 52.42 H new ATOM 0 HB2 LEU A 12 2.083 -9.465 11.344 1.00 4.24 H new ATOM 0 HB3 LEU A 12 2.232 -9.314 13.084 1.00 4.24 H new ATOM 0 HG LEU A 12 4.307 -8.298 11.123 1.00 24.52 H new ATOM 0 HD11 LEU A 12 3.379 -6.062 11.570 1.00 51.02 H new ATOM 0 HD12 LEU A 12 2.188 -7.126 10.786 1.00 51.02 H new ATOM 0 HD13 LEU A 12 2.076 -6.799 12.532 1.00 51.02 H new ATOM 0 HD21 LEU A 12 5.104 -7.002 13.063 1.00 53.54 H new ATOM 0 HD22 LEU A 12 3.868 -7.778 14.083 1.00 53.54 H new ATOM 0 HD23 LEU A 12 5.172 -8.755 13.367 1.00 53.54 H new ATOM 174 N ASN A 13 1.944 -12.524 12.386 1.00 54.41 N ATOM 175 CA ASN A 13 1.148 -13.538 13.068 1.00 55.33 C ATOM 176 C ASN A 13 1.996 -14.761 13.402 1.00 74.24 C ATOM 177 O ASN A 13 1.828 -15.379 14.453 1.00 34.44 O ATOM 178 CB ASN A 13 -0.043 -13.950 12.200 1.00 70.04 C ATOM 179 CG ASN A 13 -1.270 -13.096 12.457 1.00 24.22 C ATOM 180 OD1 ASN A 13 -1.799 -13.070 13.568 1.00 34.32 O ATOM 181 ND2 ASN A 13 -1.727 -12.392 11.428 1.00 21.33 N ATOM 0 H ASN A 13 1.781 -12.466 11.381 1.00 54.41 H new ATOM 0 HA ASN A 13 0.779 -13.109 13.999 1.00 55.33 H new ATOM 0 HB2 ASN A 13 0.234 -13.875 11.149 1.00 70.04 H new ATOM 0 HB3 ASN A 13 -0.285 -14.995 12.392 1.00 70.04 H new ATOM 0 HD21 ASN A 13 -2.549 -11.799 11.541 1.00 21.33 H new ATOM 0 HD22 ASN A 13 -1.256 -12.445 10.525 1.00 21.33 H new ATOM 188 N THR A 14 2.909 -15.106 12.499 1.00 52.12 N ATOM 189 CA THR A 14 3.783 -16.255 12.696 1.00 21.14 C ATOM 190 C THR A 14 5.132 -15.829 13.264 1.00 11.42 C ATOM 191 O THR A 14 6.112 -16.571 13.189 1.00 33.41 O ATOM 192 CB THR A 14 4.012 -17.020 11.379 1.00 1.20 C ATOM 193 OG1 THR A 14 4.749 -18.221 11.632 1.00 63.13 O ATOM 194 CG2 THR A 14 4.765 -16.158 10.377 1.00 41.11 C ATOM 0 H THR A 14 3.062 -14.605 11.624 1.00 52.12 H new ATOM 0 HA THR A 14 3.284 -16.913 13.407 1.00 21.14 H new ATOM 0 HB THR A 14 3.039 -17.274 10.958 1.00 1.20 H new ATOM 0 HG1 THR A 14 5.454 -18.040 12.289 1.00 63.13 H new ATOM 0 HG21 THR A 14 4.915 -16.719 9.455 1.00 41.11 H new ATOM 0 HG22 THR A 14 4.187 -15.258 10.164 1.00 41.11 H new ATOM 0 HG23 THR A 14 5.733 -15.878 10.793 1.00 41.11 H new ATOM 202 N LEU A 15 5.176 -14.629 13.833 1.00 44.11 N ATOM 203 CA LEU A 15 6.406 -14.103 14.415 1.00 24.21 C ATOM 204 C LEU A 15 6.740 -14.819 15.720 1.00 2.32 C ATOM 205 O LEU A 15 5.921 -14.871 16.637 1.00 2.20 O ATOM 206 CB LEU A 15 6.274 -12.600 14.664 1.00 43.33 C ATOM 207 CG LEU A 15 6.992 -11.689 13.667 1.00 1.10 C ATOM 208 CD1 LEU A 15 6.766 -10.227 14.021 1.00 72.32 C ATOM 209 CD2 LEU A 15 8.480 -12.007 13.630 1.00 11.51 C ATOM 0 H LEU A 15 4.374 -14.002 13.904 1.00 44.11 H new ATOM 0 HA LEU A 15 7.217 -14.278 13.708 1.00 24.21 H new ATOM 0 HB2 LEU A 15 5.215 -12.343 14.662 1.00 43.33 H new ATOM 0 HB3 LEU A 15 6.653 -12.383 15.663 1.00 43.33 H new ATOM 0 HG LEU A 15 6.577 -11.870 12.675 1.00 1.10 H new ATOM 0 HD11 LEU A 15 7.284 -9.594 13.301 1.00 72.32 H new ATOM 0 HD12 LEU A 15 5.699 -10.007 13.995 1.00 72.32 H new ATOM 0 HD13 LEU A 15 7.153 -10.031 15.021 1.00 72.32 H new ATOM 0 HD21 LEU A 15 8.975 -11.349 12.915 1.00 11.51 H new ATOM 0 HD22 LEU A 15 8.909 -11.855 14.620 1.00 11.51 H new ATOM 0 HD23 LEU A 15 8.623 -13.044 13.328 1.00 11.51 H new ATOM 221 N GLU A 16 7.949 -15.367 15.796 1.00 0.54 N ATOM 222 CA GLU A 16 8.391 -16.077 16.990 1.00 31.54 C ATOM 223 C GLU A 16 9.384 -15.237 17.788 1.00 64.14 C ATOM 224 O GLU A 16 10.057 -14.365 17.238 1.00 0.41 O ATOM 225 CB GLU A 16 9.029 -17.415 16.608 1.00 14.31 C ATOM 226 CG GLU A 16 8.478 -18.597 17.388 1.00 52.22 C ATOM 227 CD GLU A 16 9.414 -19.057 18.488 1.00 22.30 C ATOM 228 OE1 GLU A 16 10.552 -19.460 18.168 1.00 44.34 O ATOM 229 OE2 GLU A 16 9.009 -19.016 19.668 1.00 5.35 O ATOM 0 H GLU A 16 8.639 -15.333 15.045 1.00 0.54 H new ATOM 0 HA GLU A 16 7.517 -16.264 17.614 1.00 31.54 H new ATOM 0 HB2 GLU A 16 8.876 -17.590 15.543 1.00 14.31 H new ATOM 0 HB3 GLU A 16 10.105 -17.354 16.769 1.00 14.31 H new ATOM 0 HG2 GLU A 16 7.517 -18.324 17.824 1.00 52.22 H new ATOM 0 HG3 GLU A 16 8.293 -19.425 16.703 1.00 52.22 H new ATOM 236 N ASP A 17 9.470 -15.506 19.086 1.00 60.44 N ATOM 237 CA ASP A 17 10.381 -14.776 19.959 1.00 21.34 C ATOM 238 C ASP A 17 11.808 -15.296 19.813 1.00 32.12 C ATOM 239 O ASP A 17 12.240 -16.172 20.563 1.00 51.42 O ATOM 240 CB ASP A 17 9.929 -14.894 21.416 1.00 51.02 C ATOM 241 CG ASP A 17 10.339 -13.695 22.248 1.00 22.11 C ATOM 242 OD1 ASP A 17 11.555 -13.516 22.473 1.00 33.50 O ATOM 243 OD2 ASP A 17 9.445 -12.935 22.674 1.00 52.12 O ATOM 0 H ASP A 17 8.920 -16.224 19.557 1.00 60.44 H new ATOM 0 HA ASP A 17 10.364 -13.727 19.665 1.00 21.34 H new ATOM 0 HB2 ASP A 17 8.845 -15.002 21.449 1.00 51.02 H new ATOM 0 HB3 ASP A 17 10.353 -15.798 21.853 1.00 51.02 H new ATOM 248 N SER A 18 12.534 -14.751 18.842 1.00 21.43 N ATOM 249 CA SER A 18 13.911 -15.164 18.594 1.00 13.43 C ATOM 250 C SER A 18 14.732 -14.005 18.037 1.00 64.44 C ATOM 251 O SER A 18 14.203 -13.126 17.357 1.00 22.42 O ATOM 252 CB SER A 18 13.945 -16.343 17.621 1.00 74.23 C ATOM 253 OG SER A 18 13.775 -17.573 18.304 1.00 72.23 O ATOM 0 H SER A 18 12.192 -14.023 18.215 1.00 21.43 H new ATOM 0 HA SER A 18 14.349 -15.474 19.543 1.00 13.43 H new ATOM 0 HB2 SER A 18 13.159 -16.226 16.875 1.00 74.23 H new ATOM 0 HB3 SER A 18 14.894 -16.349 17.085 1.00 74.23 H new ATOM 0 HG SER A 18 13.305 -17.415 19.150 1.00 72.23 H new ATOM 259 N GLN A 19 16.029 -14.013 18.330 1.00 52.03 N ATOM 260 CA GLN A 19 16.924 -12.963 17.858 1.00 21.05 C ATOM 261 C GLN A 19 16.948 -12.912 16.334 1.00 4.24 C ATOM 262 O GLN A 19 16.927 -11.834 15.740 1.00 31.44 O ATOM 263 CB GLN A 19 18.338 -13.190 18.396 1.00 62.34 C ATOM 264 CG GLN A 19 18.582 -12.555 19.755 1.00 43.54 C ATOM 265 CD GLN A 19 18.767 -11.052 19.671 1.00 24.24 C ATOM 266 OE1 GLN A 19 17.661 -10.318 19.671 1.00 33.30 O flip ATOM 267 NE2 GLN A 19 19.893 -10.556 19.608 1.00 72.31 N flip ATOM 0 H GLN A 19 16.483 -14.734 18.891 1.00 52.03 H new ATOM 0 HA GLN A 19 16.551 -12.008 18.228 1.00 21.05 H new ATOM 0 HB2 GLN A 19 18.523 -14.262 18.467 1.00 62.34 H new ATOM 0 HB3 GLN A 19 19.058 -12.789 17.683 1.00 62.34 H new ATOM 0 HG2 GLN A 19 17.742 -12.778 20.412 1.00 43.54 H new ATOM 0 HG3 GLN A 19 19.467 -13.002 20.207 1.00 43.54 H new ATOM 0 HE21 GLN A 19 20.716 -11.158 19.611 1.00 72.31 H new ATOM 0 HE22 GLN A 19 20.002 -9.543 19.553 1.00 72.31 H new ATOM 276 N GLU A 20 16.994 -14.084 15.708 1.00 12.33 N ATOM 277 CA GLU A 20 17.022 -14.171 14.253 1.00 4.11 C ATOM 278 C GLU A 20 15.644 -13.886 13.664 1.00 71.12 C ATOM 279 O GLU A 20 15.526 -13.314 12.580 1.00 23.31 O ATOM 280 CB GLU A 20 17.501 -15.556 13.812 1.00 4.43 C ATOM 281 CG GLU A 20 18.997 -15.764 13.980 1.00 21.34 C ATOM 282 CD GLU A 20 19.386 -17.230 13.972 1.00 2.23 C ATOM 283 OE1 GLU A 20 19.193 -17.900 15.008 1.00 34.03 O ATOM 284 OE2 GLU A 20 19.884 -17.706 12.931 1.00 21.42 O ATOM 0 H GLU A 20 17.013 -14.985 16.185 1.00 12.33 H new ATOM 0 HA GLU A 20 17.719 -13.419 13.883 1.00 4.11 H new ATOM 0 HB2 GLU A 20 16.970 -16.315 14.387 1.00 4.43 H new ATOM 0 HB3 GLU A 20 17.237 -15.706 12.765 1.00 4.43 H new ATOM 0 HG2 GLU A 20 19.524 -15.248 13.178 1.00 21.34 H new ATOM 0 HG3 GLU A 20 19.320 -15.311 14.917 1.00 21.34 H new ATOM 291 N SER A 21 14.603 -14.290 14.386 1.00 43.04 N ATOM 292 CA SER A 21 13.233 -14.083 13.933 1.00 14.22 C ATOM 293 C SER A 21 12.935 -12.596 13.765 1.00 12.15 C ATOM 294 O SER A 21 12.430 -12.166 12.728 1.00 65.24 O ATOM 295 CB SER A 21 12.247 -14.703 14.925 1.00 74.32 C ATOM 296 OG SER A 21 10.914 -14.596 14.454 1.00 3.53 O ATOM 0 H SER A 21 14.683 -14.762 15.287 1.00 43.04 H new ATOM 0 HA SER A 21 13.119 -14.570 12.965 1.00 14.22 H new ATOM 0 HB2 SER A 21 12.497 -15.752 15.083 1.00 74.32 H new ATOM 0 HB3 SER A 21 12.336 -14.205 15.890 1.00 74.32 H new ATOM 0 HG SER A 21 10.325 -14.339 15.194 1.00 3.53 H new ATOM 302 N ILE A 22 13.251 -11.816 14.794 1.00 74.11 N ATOM 303 CA ILE A 22 13.018 -10.378 14.761 1.00 42.52 C ATOM 304 C ILE A 22 13.858 -9.710 13.677 1.00 53.11 C ATOM 305 O ILE A 22 13.425 -8.744 13.049 1.00 52.30 O ATOM 306 CB ILE A 22 13.339 -9.724 16.118 1.00 32.11 C ATOM 307 CG1 ILE A 22 12.476 -10.340 17.222 1.00 51.44 C ATOM 308 CG2 ILE A 22 13.122 -8.220 16.046 1.00 44.11 C ATOM 309 CD1 ILE A 22 10.997 -10.066 17.056 1.00 65.12 C ATOM 0 H ILE A 22 13.669 -12.156 15.660 1.00 74.11 H new ATOM 0 HA ILE A 22 11.961 -10.235 14.539 1.00 42.52 H new ATOM 0 HB ILE A 22 14.387 -9.909 16.355 1.00 32.11 H new ATOM 0 HG12 ILE A 22 12.638 -11.418 17.240 1.00 51.44 H new ATOM 0 HG13 ILE A 22 12.803 -9.952 18.187 1.00 51.44 H new ATOM 0 HG21 ILE A 22 13.353 -7.772 17.013 1.00 44.11 H new ATOM 0 HG22 ILE A 22 13.775 -7.794 15.284 1.00 44.11 H new ATOM 0 HG23 ILE A 22 12.083 -8.014 15.790 1.00 44.11 H new ATOM 0 HD11 ILE A 22 10.447 -10.532 17.873 1.00 65.12 H new ATOM 0 HD12 ILE A 22 10.823 -8.990 17.068 1.00 65.12 H new ATOM 0 HD13 ILE A 22 10.655 -10.478 16.107 1.00 65.12 H new ATOM 321 N SER A 23 15.061 -10.233 13.461 1.00 15.04 N ATOM 322 CA SER A 23 15.962 -9.687 12.454 1.00 5.43 C ATOM 323 C SER A 23 15.444 -9.973 11.048 1.00 1.12 C ATOM 324 O SER A 23 15.580 -9.148 10.145 1.00 54.12 O ATOM 325 CB SER A 23 17.365 -10.274 12.623 1.00 71.25 C ATOM 326 OG SER A 23 18.348 -9.412 12.076 1.00 20.22 O ATOM 0 H SER A 23 15.434 -11.034 13.970 1.00 15.04 H new ATOM 0 HA SER A 23 16.009 -8.607 12.591 1.00 5.43 H new ATOM 0 HB2 SER A 23 17.569 -10.438 13.681 1.00 71.25 H new ATOM 0 HB3 SER A 23 17.417 -11.247 12.134 1.00 71.25 H new ATOM 0 HG SER A 23 19.236 -9.809 12.198 1.00 20.22 H new ATOM 332 N SER A 24 14.850 -11.149 10.871 1.00 13.45 N ATOM 333 CA SER A 24 14.314 -11.547 9.575 1.00 12.01 C ATOM 334 C SER A 24 13.219 -10.586 9.121 1.00 22.02 C ATOM 335 O SER A 24 13.206 -10.140 7.974 1.00 31.14 O ATOM 336 CB SER A 24 13.761 -12.972 9.644 1.00 10.22 C ATOM 337 OG SER A 24 12.348 -12.976 9.540 1.00 33.04 O ATOM 0 H SER A 24 14.728 -11.843 11.609 1.00 13.45 H new ATOM 0 HA SER A 24 15.126 -11.514 8.848 1.00 12.01 H new ATOM 0 HB2 SER A 24 14.190 -13.571 8.841 1.00 10.22 H new ATOM 0 HB3 SER A 24 14.061 -13.437 10.583 1.00 10.22 H new ATOM 0 HG SER A 24 12.019 -13.898 9.585 1.00 33.04 H new ATOM 343 N ALA A 25 12.302 -10.272 10.030 1.00 2.34 N ATOM 344 CA ALA A 25 11.204 -9.363 9.726 1.00 44.44 C ATOM 345 C ALA A 25 11.688 -7.917 9.669 1.00 31.53 C ATOM 346 O ALA A 25 11.344 -7.173 8.751 1.00 34.04 O ATOM 347 CB ALA A 25 10.095 -9.510 10.756 1.00 21.34 C ATOM 0 H ALA A 25 12.298 -10.634 10.984 1.00 2.34 H new ATOM 0 HA ALA A 25 10.809 -9.626 8.745 1.00 44.44 H new ATOM 0 HB1 ALA A 25 9.282 -8.825 10.516 1.00 21.34 H new ATOM 0 HB2 ALA A 25 9.722 -10.534 10.745 1.00 21.34 H new ATOM 0 HB3 ALA A 25 10.485 -9.277 11.747 1.00 21.34 H new ATOM 353 N SER A 26 12.487 -7.527 10.657 1.00 41.21 N ATOM 354 CA SER A 26 13.014 -6.169 10.722 1.00 42.30 C ATOM 355 C SER A 26 13.744 -5.807 9.432 1.00 24.11 C ATOM 356 O SER A 26 13.613 -4.695 8.921 1.00 2.30 O ATOM 357 CB SER A 26 13.961 -6.023 11.915 1.00 15.12 C ATOM 358 OG SER A 26 15.195 -6.674 11.670 1.00 72.52 O ATOM 0 H SER A 26 12.783 -8.132 11.423 1.00 41.21 H new ATOM 0 HA SER A 26 12.174 -5.486 10.848 1.00 42.30 H new ATOM 0 HB2 SER A 26 14.137 -4.966 12.116 1.00 15.12 H new ATOM 0 HB3 SER A 26 13.495 -6.443 12.806 1.00 15.12 H new ATOM 0 HG SER A 26 15.860 -6.370 12.322 1.00 72.52 H new ATOM 364 N LYS A 27 14.515 -6.755 8.910 1.00 31.42 N ATOM 365 CA LYS A 27 15.266 -6.540 7.679 1.00 24.14 C ATOM 366 C LYS A 27 14.326 -6.359 6.492 1.00 31.22 C ATOM 367 O LYS A 27 14.578 -5.540 5.608 1.00 33.24 O ATOM 368 CB LYS A 27 16.210 -7.717 7.421 1.00 2.13 C ATOM 369 CG LYS A 27 17.531 -7.611 8.163 1.00 45.12 C ATOM 370 CD LYS A 27 18.042 -8.977 8.590 1.00 2.32 C ATOM 371 CE LYS A 27 19.545 -9.098 8.389 1.00 51.22 C ATOM 372 NZ LYS A 27 19.926 -8.953 6.957 1.00 41.44 N ATOM 0 H LYS A 27 14.636 -7.681 9.321 1.00 31.42 H new ATOM 0 HA LYS A 27 15.854 -5.629 7.796 1.00 24.14 H new ATOM 0 HB2 LYS A 27 15.712 -8.642 7.713 1.00 2.13 H new ATOM 0 HB3 LYS A 27 16.408 -7.785 6.351 1.00 2.13 H new ATOM 0 HG2 LYS A 27 18.271 -7.128 7.524 1.00 45.12 H new ATOM 0 HG3 LYS A 27 17.406 -6.977 9.041 1.00 45.12 H new ATOM 0 HD2 LYS A 27 17.799 -9.146 9.639 1.00 2.32 H new ATOM 0 HD3 LYS A 27 17.534 -9.752 8.017 1.00 2.32 H new ATOM 0 HE2 LYS A 27 20.053 -8.335 8.979 1.00 51.22 H new ATOM 0 HE3 LYS A 27 19.884 -10.066 8.759 1.00 51.22 H new ATOM 0 HZ1 LYS A 27 20.812 -9.468 6.780 1.00 41.44 H new ATOM 0 HZ2 LYS A 27 19.172 -9.344 6.356 1.00 41.44 H new ATOM 0 HZ3 LYS A 27 20.060 -7.946 6.734 1.00 41.44 H new ATOM 386 N TRP A 28 13.242 -7.127 6.480 1.00 64.03 N ATOM 387 CA TRP A 28 12.264 -7.050 5.401 1.00 14.31 C ATOM 388 C TRP A 28 11.607 -5.674 5.360 1.00 71.44 C ATOM 389 O TRP A 28 11.431 -5.092 4.289 1.00 54.42 O ATOM 390 CB TRP A 28 11.197 -8.133 5.574 1.00 43.31 C ATOM 391 CG TRP A 28 10.180 -8.145 4.473 1.00 20.53 C ATOM 392 CD1 TRP A 28 10.409 -8.382 3.148 1.00 63.50 C ATOM 393 CD2 TRP A 28 8.774 -7.909 4.603 1.00 31.43 C ATOM 394 NE1 TRP A 28 9.230 -8.308 2.446 1.00 3.13 N ATOM 395 CE2 TRP A 28 8.212 -8.020 3.316 1.00 2.22 C ATOM 396 CE3 TRP A 28 7.934 -7.618 5.682 1.00 44.33 C ATOM 397 CZ2 TRP A 28 6.851 -7.847 3.081 1.00 33.22 C ATOM 398 CZ3 TRP A 28 6.583 -7.446 5.447 1.00 64.33 C ATOM 399 CH2 TRP A 28 6.052 -7.562 4.155 1.00 22.23 C ATOM 0 H TRP A 28 13.018 -7.809 7.204 1.00 64.03 H new ATOM 0 HA TRP A 28 12.786 -7.212 4.458 1.00 14.31 H new ATOM 0 HB2 TRP A 28 11.683 -9.108 5.621 1.00 43.31 H new ATOM 0 HB3 TRP A 28 10.689 -7.984 6.527 1.00 43.31 H new ATOM 0 HD1 TRP A 28 11.375 -8.596 2.715 1.00 63.50 H new ATOM 0 HE1 TRP A 28 9.129 -8.445 1.440 1.00 3.13 H new ATOM 0 HE3 TRP A 28 8.334 -7.529 6.681 1.00 44.33 H new ATOM 0 HZ2 TRP A 28 6.440 -7.935 2.086 1.00 33.22 H new ATOM 0 HZ3 TRP A 28 5.925 -7.218 6.273 1.00 64.33 H new ATOM 0 HH2 TRP A 28 4.992 -7.424 4.004 1.00 22.23 H new ATOM 410 N LEU A 29 11.247 -5.160 6.530 1.00 13.02 N ATOM 411 CA LEU A 29 10.609 -3.851 6.627 1.00 21.43 C ATOM 412 C LEU A 29 11.617 -2.735 6.375 1.00 52.45 C ATOM 413 O LEU A 29 11.269 -1.678 5.845 1.00 21.12 O ATOM 414 CB LEU A 29 9.970 -3.675 8.006 1.00 51.33 C ATOM 415 CG LEU A 29 8.715 -4.506 8.275 1.00 22.13 C ATOM 416 CD1 LEU A 29 8.452 -4.607 9.770 1.00 44.42 C ATOM 417 CD2 LEU A 29 7.514 -3.906 7.560 1.00 52.02 C ATOM 0 H LEU A 29 11.386 -5.629 7.425 1.00 13.02 H new ATOM 0 HA LEU A 29 9.833 -3.794 5.864 1.00 21.43 H new ATOM 0 HB2 LEU A 29 10.714 -3.922 8.763 1.00 51.33 H new ATOM 0 HB3 LEU A 29 9.719 -2.622 8.137 1.00 51.33 H new ATOM 0 HG LEU A 29 8.878 -5.511 7.887 1.00 22.13 H new ATOM 0 HD11 LEU A 29 7.555 -5.202 9.942 1.00 44.42 H new ATOM 0 HD12 LEU A 29 9.303 -5.083 10.258 1.00 44.42 H new ATOM 0 HD13 LEU A 29 8.310 -3.608 10.183 1.00 44.42 H new ATOM 0 HD21 LEU A 29 6.630 -4.511 7.763 1.00 52.02 H new ATOM 0 HD22 LEU A 29 7.348 -2.890 7.917 1.00 52.02 H new ATOM 0 HD23 LEU A 29 7.702 -3.887 6.486 1.00 52.02 H new ATOM 429 N LEU A 30 12.867 -2.976 6.754 1.00 12.31 N ATOM 430 CA LEU A 30 13.927 -1.991 6.567 1.00 72.14 C ATOM 431 C LEU A 30 14.020 -1.563 5.106 1.00 61.04 C ATOM 432 O LEU A 30 14.265 -0.394 4.804 1.00 30.04 O ATOM 433 CB LEU A 30 15.268 -2.563 7.029 1.00 2.52 C ATOM 434 CG LEU A 30 16.234 -1.569 7.675 1.00 2.31 C ATOM 435 CD1 LEU A 30 16.424 -0.352 6.783 1.00 51.22 C ATOM 436 CD2 LEU A 30 15.730 -1.151 9.049 1.00 24.51 C ATOM 0 H LEU A 30 13.172 -3.845 7.193 1.00 12.31 H new ATOM 0 HA LEU A 30 13.686 -1.115 7.169 1.00 72.14 H new ATOM 0 HB2 LEU A 30 15.072 -3.364 7.741 1.00 2.52 H new ATOM 0 HB3 LEU A 30 15.763 -3.014 6.169 1.00 2.52 H new ATOM 0 HG LEU A 30 17.200 -2.059 7.797 1.00 2.31 H new ATOM 0 HD11 LEU A 30 17.115 0.344 7.259 1.00 51.22 H new ATOM 0 HD12 LEU A 30 16.830 -0.666 5.821 1.00 51.22 H new ATOM 0 HD13 LEU A 30 15.463 0.139 6.628 1.00 51.22 H new ATOM 0 HD21 LEU A 30 16.430 -0.444 9.494 1.00 24.51 H new ATOM 0 HD22 LEU A 30 14.752 -0.680 8.950 1.00 24.51 H new ATOM 0 HD23 LEU A 30 15.647 -2.030 9.689 1.00 24.51 H new ATOM 448 N LEU A 31 13.821 -2.516 4.202 1.00 45.14 N ATOM 449 CA LEU A 31 13.881 -2.238 2.771 1.00 52.52 C ATOM 450 C LEU A 31 12.494 -1.923 2.219 1.00 32.13 C ATOM 451 O LEU A 31 12.281 -1.935 1.007 1.00 12.23 O ATOM 452 CB LEU A 31 14.481 -3.430 2.024 1.00 51.24 C ATOM 453 CG LEU A 31 15.769 -4.009 2.609 1.00 22.30 C ATOM 454 CD1 LEU A 31 16.181 -5.264 1.855 1.00 43.24 C ATOM 455 CD2 LEU A 31 16.884 -2.974 2.575 1.00 53.34 C ATOM 0 H LEU A 31 13.617 -3.488 4.434 1.00 45.14 H new ATOM 0 HA LEU A 31 14.518 -1.366 2.622 1.00 52.52 H new ATOM 0 HB2 LEU A 31 13.734 -4.223 1.986 1.00 51.24 H new ATOM 0 HB3 LEU A 31 14.677 -3.127 0.995 1.00 51.24 H new ATOM 0 HG LEU A 31 15.583 -4.279 3.649 1.00 22.30 H new ATOM 0 HD11 LEU A 31 17.100 -5.662 2.286 1.00 43.24 H new ATOM 0 HD12 LEU A 31 15.391 -6.011 1.932 1.00 43.24 H new ATOM 0 HD13 LEU A 31 16.348 -5.020 0.806 1.00 43.24 H new ATOM 0 HD21 LEU A 31 17.793 -3.404 2.996 1.00 53.34 H new ATOM 0 HD22 LEU A 31 17.069 -2.672 1.544 1.00 53.34 H new ATOM 0 HD23 LEU A 31 16.590 -2.103 3.161 1.00 53.34 H new ATOM 467 N GLN A 32 11.556 -1.641 3.117 1.00 14.53 N ATOM 468 CA GLN A 32 10.190 -1.321 2.720 1.00 74.34 C ATOM 469 C GLN A 32 9.798 0.075 3.191 1.00 52.43 C ATOM 470 O GLN A 32 8.683 0.291 3.667 1.00 21.31 O ATOM 471 CB GLN A 32 9.216 -2.356 3.287 1.00 51.41 C ATOM 472 CG GLN A 32 9.385 -3.743 2.688 1.00 11.34 C ATOM 473 CD GLN A 32 8.390 -4.025 1.580 1.00 34.54 C ATOM 474 OE1 GLN A 32 7.204 -4.238 1.835 1.00 72.42 O ATOM 475 NE2 GLN A 32 8.868 -4.029 0.342 1.00 53.15 N ATOM 0 H GLN A 32 11.717 -1.628 4.124 1.00 14.53 H new ATOM 0 HA GLN A 32 10.141 -1.344 1.631 1.00 74.34 H new ATOM 0 HB2 GLN A 32 9.351 -2.417 4.367 1.00 51.41 H new ATOM 0 HB3 GLN A 32 8.195 -2.016 3.112 1.00 51.41 H new ATOM 0 HG2 GLN A 32 10.397 -3.845 2.297 1.00 11.34 H new ATOM 0 HG3 GLN A 32 9.270 -4.490 3.473 1.00 11.34 H new ATOM 0 HE21 GLN A 32 9.858 -3.847 0.177 1.00 53.15 H new ATOM 0 HE22 GLN A 32 8.245 -4.214 -0.445 1.00 53.15 H new ATOM 484 N TYR A 33 10.721 1.021 3.055 1.00 61.42 N ATOM 485 CA TYR A 33 10.473 2.396 3.469 1.00 1.42 C ATOM 486 C TYR A 33 9.390 3.038 2.607 1.00 1.24 C ATOM 487 O TYR A 33 8.767 4.023 3.005 1.00 61.20 O ATOM 488 CB TYR A 33 11.761 3.217 3.384 1.00 62.10 C ATOM 489 CG TYR A 33 12.477 3.085 2.058 1.00 14.04 C ATOM 490 CD1 TYR A 33 11.933 3.620 0.897 1.00 13.32 C ATOM 491 CD2 TYR A 33 13.695 2.424 1.967 1.00 44.52 C ATOM 492 CE1 TYR A 33 12.582 3.502 -0.316 1.00 62.34 C ATOM 493 CE2 TYR A 33 14.353 2.302 0.758 1.00 54.40 C ATOM 494 CZ TYR A 33 13.792 2.842 -0.381 1.00 0.43 C ATOM 495 OH TYR A 33 14.443 2.722 -1.587 1.00 71.31 O ATOM 0 H TYR A 33 11.648 0.860 2.661 1.00 61.42 H new ATOM 0 HA TYR A 33 10.128 2.380 4.503 1.00 1.42 H new ATOM 0 HB2 TYR A 33 11.525 4.267 3.557 1.00 62.10 H new ATOM 0 HB3 TYR A 33 12.434 2.906 4.183 1.00 62.10 H new ATOM 0 HD1 TYR A 33 10.986 4.137 0.944 1.00 13.32 H new ATOM 0 HD2 TYR A 33 14.135 1.998 2.856 1.00 44.52 H new ATOM 0 HE1 TYR A 33 12.145 3.924 -1.209 1.00 62.34 H new ATOM 0 HE2 TYR A 33 15.301 1.787 0.705 1.00 54.40 H new ATOM 0 HH TYR A 33 15.281 2.231 -1.459 1.00 71.31 H new ATOM 505 N ARG A 34 9.171 2.472 1.425 1.00 3.11 N ATOM 506 CA ARG A 34 8.164 2.988 0.506 1.00 44.14 C ATOM 507 C ARG A 34 6.788 3.014 1.165 1.00 65.12 C ATOM 508 O ARG A 34 5.917 3.792 0.776 1.00 4.42 O ATOM 509 CB ARG A 34 8.118 2.136 -0.764 1.00 34.31 C ATOM 510 CG ARG A 34 9.402 2.181 -1.576 1.00 11.14 C ATOM 511 CD ARG A 34 9.520 3.479 -2.359 1.00 70.13 C ATOM 512 NE ARG A 34 8.453 3.621 -3.347 1.00 3.14 N ATOM 513 CZ ARG A 34 8.098 4.783 -3.883 1.00 4.51 C ATOM 514 NH1 ARG A 34 8.722 5.899 -3.529 1.00 65.52 N ATOM 515 NH2 ARG A 34 7.118 4.832 -4.775 1.00 73.14 N ATOM 0 H ARG A 34 9.677 1.656 1.081 1.00 3.11 H new ATOM 0 HA ARG A 34 8.439 4.009 0.241 1.00 44.14 H new ATOM 0 HB2 ARG A 34 7.908 1.102 -0.490 1.00 34.31 H new ATOM 0 HB3 ARG A 34 7.291 2.475 -1.389 1.00 34.31 H new ATOM 0 HG2 ARG A 34 10.259 2.077 -0.910 1.00 11.14 H new ATOM 0 HG3 ARG A 34 9.429 1.336 -2.264 1.00 11.14 H new ATOM 0 HD2 ARG A 34 9.490 4.322 -1.669 1.00 70.13 H new ATOM 0 HD3 ARG A 34 10.487 3.513 -2.862 1.00 70.13 H new ATOM 0 HE ARG A 34 7.953 2.782 -3.641 1.00 3.14 H new ATOM 0 HH11 ARG A 34 9.477 5.866 -2.843 1.00 65.52 H new ATOM 0 HH12 ARG A 34 8.447 6.790 -3.942 1.00 65.52 H new ATOM 0 HH21 ARG A 34 6.636 3.976 -5.050 1.00 73.14 H new ATOM 0 HH22 ARG A 34 6.846 5.725 -5.186 1.00 73.14 H new ATOM 529 N ASP A 35 6.600 2.158 2.163 1.00 64.31 N ATOM 530 CA ASP A 35 5.331 2.082 2.877 1.00 51.34 C ATOM 531 C ASP A 35 5.506 2.477 4.340 1.00 52.53 C ATOM 532 O ASP A 35 5.096 1.749 5.243 1.00 53.12 O ATOM 533 CB ASP A 35 4.752 0.670 2.783 1.00 73.13 C ATOM 534 CG ASP A 35 5.829 -0.395 2.716 1.00 2.53 C ATOM 535 OD1 ASP A 35 6.331 -0.799 3.786 1.00 4.53 O ATOM 536 OD2 ASP A 35 6.170 -0.824 1.595 1.00 72.34 O ATOM 0 H ASP A 35 7.311 1.507 2.496 1.00 64.31 H new ATOM 0 HA ASP A 35 4.638 2.782 2.411 1.00 51.34 H new ATOM 0 HB2 ASP A 35 4.114 0.484 3.647 1.00 73.13 H new ATOM 0 HB3 ASP A 35 4.119 0.598 1.899 1.00 73.13 H new ATOM 541 N ALA A 36 6.118 3.635 4.565 1.00 3.15 N ATOM 542 CA ALA A 36 6.347 4.127 5.918 1.00 13.33 C ATOM 543 C ALA A 36 5.037 4.236 6.691 1.00 13.33 C ATOM 544 O ALA A 36 4.846 3.603 7.729 1.00 30.54 O ATOM 545 CB ALA A 36 7.051 5.475 5.878 1.00 44.25 C ATOM 0 H ALA A 36 6.464 4.250 3.828 1.00 3.15 H new ATOM 0 HA ALA A 36 6.986 3.411 6.435 1.00 13.33 H new ATOM 0 HB1 ALA A 36 7.215 5.830 6.895 1.00 44.25 H new ATOM 0 HB2 ALA A 36 8.010 5.370 5.371 1.00 44.25 H new ATOM 0 HB3 ALA A 36 6.433 6.193 5.339 1.00 44.25 H new ATOM 551 N PRO A 37 4.111 5.059 6.176 1.00 43.21 N ATOM 552 CA PRO A 37 2.803 5.271 6.802 1.00 30.44 C ATOM 553 C PRO A 37 1.907 4.041 6.702 1.00 32.12 C ATOM 554 O PRO A 37 1.104 3.770 7.595 1.00 13.53 O ATOM 555 CB PRO A 37 2.209 6.432 6.001 1.00 63.31 C ATOM 556 CG PRO A 37 2.883 6.360 4.674 1.00 31.41 C ATOM 557 CD PRO A 37 4.271 5.846 4.942 1.00 52.34 C ATOM 0 HA PRO A 37 2.890 5.473 7.869 1.00 30.44 H new ATOM 0 HB2 PRO A 37 1.128 6.333 5.902 1.00 63.31 H new ATOM 0 HB3 PRO A 37 2.398 7.388 6.490 1.00 63.31 H new ATOM 0 HG2 PRO A 37 2.344 5.696 3.998 1.00 31.41 H new ATOM 0 HG3 PRO A 37 2.915 7.340 4.199 1.00 31.41 H new ATOM 0 HD2 PRO A 37 4.638 5.233 4.119 1.00 52.34 H new ATOM 0 HD3 PRO A 37 4.983 6.661 5.075 1.00 52.34 H new ATOM 565 N LYS A 38 2.049 3.298 5.610 1.00 43.23 N ATOM 566 CA LYS A 38 1.254 2.095 5.393 1.00 43.44 C ATOM 567 C LYS A 38 1.499 1.074 6.499 1.00 41.31 C ATOM 568 O LYS A 38 0.562 0.611 7.149 1.00 54.41 O ATOM 569 CB LYS A 38 1.586 1.478 4.032 1.00 3.50 C ATOM 570 CG LYS A 38 0.665 1.938 2.915 1.00 63.21 C ATOM 571 CD LYS A 38 -0.735 1.371 3.078 1.00 12.54 C ATOM 572 CE LYS A 38 -1.764 2.204 2.329 1.00 11.45 C ATOM 573 NZ LYS A 38 -3.105 1.558 2.327 1.00 75.44 N ATOM 0 H LYS A 38 2.708 3.508 4.860 1.00 43.23 H new ATOM 0 HA LYS A 38 0.201 2.377 5.410 1.00 43.44 H new ATOM 0 HB2 LYS A 38 2.614 1.728 3.770 1.00 3.50 H new ATOM 0 HB3 LYS A 38 1.532 0.392 4.112 1.00 3.50 H new ATOM 0 HG2 LYS A 38 0.619 3.027 2.906 1.00 63.21 H new ATOM 0 HG3 LYS A 38 1.074 1.628 1.954 1.00 63.21 H new ATOM 0 HD2 LYS A 38 -0.758 0.345 2.710 1.00 12.54 H new ATOM 0 HD3 LYS A 38 -0.994 1.336 4.136 1.00 12.54 H new ATOM 0 HE2 LYS A 38 -1.837 3.190 2.788 1.00 11.45 H new ATOM 0 HE3 LYS A 38 -1.432 2.354 1.302 1.00 11.45 H new ATOM 0 HZ1 LYS A 38 -3.778 2.157 1.807 1.00 75.44 H new ATOM 0 HZ2 LYS A 38 -3.041 0.628 1.866 1.00 75.44 H new ATOM 0 HZ3 LYS A 38 -3.434 1.438 3.306 1.00 75.44 H new ATOM 587 N VAL A 39 2.765 0.728 6.709 1.00 62.11 N ATOM 588 CA VAL A 39 3.133 -0.236 7.739 1.00 63.44 C ATOM 589 C VAL A 39 2.771 0.277 9.127 1.00 15.24 C ATOM 590 O VAL A 39 2.373 -0.493 10.001 1.00 60.11 O ATOM 591 CB VAL A 39 4.640 -0.553 7.698 1.00 60.41 C ATOM 592 CG1 VAL A 39 5.011 -1.526 8.807 1.00 64.02 C ATOM 593 CG2 VAL A 39 5.030 -1.109 6.337 1.00 64.42 C ATOM 0 H VAL A 39 3.553 1.101 6.180 1.00 62.11 H new ATOM 0 HA VAL A 39 2.571 -1.147 7.534 1.00 63.44 H new ATOM 0 HB VAL A 39 5.193 0.372 7.859 1.00 60.41 H new ATOM 0 HG11 VAL A 39 6.079 -1.738 8.762 1.00 64.02 H new ATOM 0 HG12 VAL A 39 4.769 -1.085 9.774 1.00 64.02 H new ATOM 0 HG13 VAL A 39 4.451 -2.453 8.680 1.00 64.02 H new ATOM 0 HG21 VAL A 39 6.098 -1.327 6.326 1.00 64.42 H new ATOM 0 HG22 VAL A 39 4.470 -2.024 6.144 1.00 64.42 H new ATOM 0 HG23 VAL A 39 4.802 -0.374 5.565 1.00 64.42 H new ATOM 603 N ALA A 40 2.910 1.584 9.324 1.00 52.21 N ATOM 604 CA ALA A 40 2.594 2.202 10.606 1.00 63.20 C ATOM 605 C ALA A 40 1.115 2.046 10.941 1.00 52.51 C ATOM 606 O ALA A 40 0.758 1.685 12.062 1.00 71.14 O ATOM 607 CB ALA A 40 2.983 3.673 10.593 1.00 71.20 C ATOM 0 H ALA A 40 3.240 2.236 8.612 1.00 52.21 H new ATOM 0 HA ALA A 40 3.170 1.693 11.379 1.00 63.20 H new ATOM 0 HB1 ALA A 40 2.741 4.122 11.556 1.00 71.20 H new ATOM 0 HB2 ALA A 40 4.053 3.765 10.408 1.00 71.20 H new ATOM 0 HB3 ALA A 40 2.433 4.188 9.805 1.00 71.20 H new ATOM 613 N GLU A 41 0.259 2.323 9.962 1.00 71.11 N ATOM 614 CA GLU A 41 -1.182 2.215 10.155 1.00 34.21 C ATOM 615 C GLU A 41 -1.592 0.764 10.392 1.00 13.14 C ATOM 616 O GLU A 41 -2.336 0.463 11.326 1.00 43.13 O ATOM 617 CB GLU A 41 -1.926 2.774 8.940 1.00 24.01 C ATOM 618 CG GLU A 41 -3.366 3.159 9.232 1.00 72.11 C ATOM 619 CD GLU A 41 -3.957 4.061 8.165 1.00 25.15 C ATOM 620 OE1 GLU A 41 -3.292 5.048 7.788 1.00 64.02 O ATOM 621 OE2 GLU A 41 -5.084 3.779 7.708 1.00 31.25 O ATOM 0 H GLU A 41 0.538 2.624 9.028 1.00 71.11 H new ATOM 0 HA GLU A 41 -1.449 2.799 11.036 1.00 34.21 H new ATOM 0 HB2 GLU A 41 -1.393 3.649 8.569 1.00 24.01 H new ATOM 0 HB3 GLU A 41 -1.912 2.031 8.143 1.00 24.01 H new ATOM 0 HG2 GLU A 41 -3.970 2.255 9.314 1.00 72.11 H new ATOM 0 HG3 GLU A 41 -3.415 3.664 10.197 1.00 72.11 H new ATOM 628 N MET A 42 -1.102 -0.130 9.540 1.00 30.01 N ATOM 629 CA MET A 42 -1.417 -1.549 9.657 1.00 25.21 C ATOM 630 C MET A 42 -0.902 -2.113 10.978 1.00 62.13 C ATOM 631 O MET A 42 -1.639 -2.771 11.712 1.00 55.33 O ATOM 632 CB MET A 42 -0.810 -2.326 8.487 1.00 54.03 C ATOM 633 CG MET A 42 -1.612 -3.556 8.094 1.00 60.24 C ATOM 634 SD MET A 42 -0.575 -4.888 7.460 1.00 44.11 S ATOM 635 CE MET A 42 -0.110 -5.709 8.982 1.00 32.13 C ATOM 0 H MET A 42 -0.486 0.103 8.761 1.00 30.01 H new ATOM 0 HA MET A 42 -2.501 -1.658 9.633 1.00 25.21 H new ATOM 0 HB2 MET A 42 -0.729 -1.664 7.625 1.00 54.03 H new ATOM 0 HB3 MET A 42 0.203 -2.631 8.750 1.00 54.03 H new ATOM 0 HG2 MET A 42 -2.168 -3.915 8.960 1.00 60.24 H new ATOM 0 HG3 MET A 42 -2.346 -3.280 7.337 1.00 60.24 H new ATOM 0 HE1 MET A 42 0.618 -6.491 8.766 1.00 32.13 H new ATOM 0 HE2 MET A 42 0.329 -4.984 9.667 1.00 32.13 H new ATOM 0 HE3 MET A 42 -0.994 -6.153 9.441 1.00 32.13 H new ATOM 645 N TRP A 43 0.366 -1.852 11.273 1.00 43.31 N ATOM 646 CA TRP A 43 0.979 -2.334 12.506 1.00 71.14 C ATOM 647 C TRP A 43 0.189 -1.870 13.724 1.00 12.51 C ATOM 648 O TRP A 43 -0.153 -2.668 14.597 1.00 71.25 O ATOM 649 CB TRP A 43 2.426 -1.848 12.605 1.00 54.44 C ATOM 650 CG TRP A 43 3.172 -2.436 13.763 1.00 23.51 C ATOM 651 CD1 TRP A 43 3.785 -3.656 13.809 1.00 74.42 C ATOM 652 CD2 TRP A 43 3.383 -1.831 15.043 1.00 24.23 C ATOM 653 NE1 TRP A 43 4.364 -3.846 15.040 1.00 14.04 N ATOM 654 CE2 TRP A 43 4.133 -2.741 15.816 1.00 55.54 C ATOM 655 CE3 TRP A 43 3.015 -0.609 15.612 1.00 75.12 C ATOM 656 CZ2 TRP A 43 4.517 -2.465 17.125 1.00 13.41 C ATOM 657 CZ3 TRP A 43 3.396 -0.337 16.912 1.00 43.13 C ATOM 658 CH2 TRP A 43 4.142 -1.261 17.656 1.00 13.44 C ATOM 0 H TRP A 43 0.990 -1.309 10.676 1.00 43.31 H new ATOM 0 HA TRP A 43 0.970 -3.424 12.485 1.00 71.14 H new ATOM 0 HB2 TRP A 43 2.949 -2.096 11.681 1.00 54.44 H new ATOM 0 HB3 TRP A 43 2.432 -0.762 12.692 1.00 54.44 H new ATOM 0 HD1 TRP A 43 3.811 -4.367 12.996 1.00 74.42 H new ATOM 0 HE1 TRP A 43 4.882 -4.676 15.329 1.00 14.04 H new ATOM 0 HE3 TRP A 43 2.443 0.111 15.045 1.00 75.12 H new ATOM 0 HZ2 TRP A 43 5.091 -3.176 17.701 1.00 13.41 H new ATOM 0 HZ3 TRP A 43 3.114 0.603 17.362 1.00 43.13 H new ATOM 0 HH2 TRP A 43 4.427 -1.018 18.669 1.00 13.44 H new ATOM 669 N LYS A 44 -0.099 -0.574 13.778 1.00 1.54 N ATOM 670 CA LYS A 44 -0.850 -0.002 14.890 1.00 74.04 C ATOM 671 C LYS A 44 -2.237 -0.630 14.989 1.00 61.12 C ATOM 672 O LYS A 44 -2.581 -1.238 16.002 1.00 70.24 O ATOM 673 CB LYS A 44 -0.976 1.514 14.721 1.00 74.21 C ATOM 674 CG LYS A 44 -1.678 2.199 15.881 1.00 72.41 C ATOM 675 CD LYS A 44 -3.146 2.446 15.577 1.00 51.33 C ATOM 676 CE LYS A 44 -3.321 3.500 14.494 1.00 61.02 C ATOM 677 NZ LYS A 44 -4.737 3.947 14.378 1.00 4.12 N ATOM 0 H LYS A 44 0.176 0.101 13.064 1.00 1.54 H new ATOM 0 HA LYS A 44 -0.307 -0.215 15.811 1.00 74.04 H new ATOM 0 HB2 LYS A 44 0.020 1.942 14.606 1.00 74.21 H new ATOM 0 HB3 LYS A 44 -1.522 1.725 13.801 1.00 74.21 H new ATOM 0 HG2 LYS A 44 -1.589 1.583 16.776 1.00 72.41 H new ATOM 0 HG3 LYS A 44 -1.186 3.147 16.097 1.00 72.41 H new ATOM 0 HD2 LYS A 44 -3.615 1.515 15.259 1.00 51.33 H new ATOM 0 HD3 LYS A 44 -3.658 2.767 16.484 1.00 51.33 H new ATOM 0 HE2 LYS A 44 -2.687 4.358 14.716 1.00 61.02 H new ATOM 0 HE3 LYS A 44 -2.988 3.097 13.538 1.00 61.02 H new ATOM 0 HZ1 LYS A 44 -4.814 4.665 13.630 1.00 4.12 H new ATOM 0 HZ2 LYS A 44 -5.340 3.133 14.141 1.00 4.12 H new ATOM 0 HZ3 LYS A 44 -5.047 4.355 15.283 1.00 4.12 H new ATOM 691 N GLU A 45 -3.027 -0.479 13.930 1.00 31.54 N ATOM 692 CA GLU A 45 -4.376 -1.033 13.900 1.00 63.22 C ATOM 693 C GLU A 45 -4.361 -2.520 14.243 1.00 72.12 C ATOM 694 O GLU A 45 -5.324 -3.049 14.799 1.00 61.54 O ATOM 695 CB GLU A 45 -5.006 -0.823 12.522 1.00 53.34 C ATOM 696 CG GLU A 45 -5.751 0.495 12.388 1.00 71.10 C ATOM 697 CD GLU A 45 -6.631 0.545 11.154 1.00 41.10 C ATOM 698 OE1 GLU A 45 -6.086 0.456 10.034 1.00 41.43 O ATOM 699 OE2 GLU A 45 -7.863 0.673 11.308 1.00 13.41 O ATOM 0 H GLU A 45 -2.757 0.021 13.083 1.00 31.54 H new ATOM 0 HA GLU A 45 -4.973 -0.511 14.648 1.00 63.22 H new ATOM 0 HB2 GLU A 45 -4.224 -0.868 11.764 1.00 53.34 H new ATOM 0 HB3 GLU A 45 -5.695 -1.643 12.318 1.00 53.34 H new ATOM 0 HG2 GLU A 45 -6.365 0.652 13.274 1.00 71.10 H new ATOM 0 HG3 GLU A 45 -5.031 1.313 12.350 1.00 71.10 H new ATOM 706 N TYR A 46 -3.263 -3.188 13.907 1.00 11.20 N ATOM 707 CA TYR A 46 -3.123 -4.614 14.176 1.00 15.02 C ATOM 708 C TYR A 46 -2.832 -4.864 15.653 1.00 45.24 C ATOM 709 O TYR A 46 -3.321 -5.829 16.239 1.00 42.13 O ATOM 710 CB TYR A 46 -2.008 -5.210 13.316 1.00 5.23 C ATOM 711 CG TYR A 46 -1.588 -6.597 13.746 1.00 64.44 C ATOM 712 CD1 TYR A 46 -0.592 -6.780 14.698 1.00 73.24 C ATOM 713 CD2 TYR A 46 -2.187 -7.726 13.200 1.00 50.24 C ATOM 714 CE1 TYR A 46 -0.205 -8.046 15.092 1.00 31.20 C ATOM 715 CE2 TYR A 46 -1.807 -8.996 13.589 1.00 12.32 C ATOM 716 CZ TYR A 46 -0.816 -9.151 14.535 1.00 5.42 C ATOM 717 OH TYR A 46 -0.434 -10.413 14.927 1.00 64.44 O ATOM 0 H TYR A 46 -2.457 -2.765 13.448 1.00 11.20 H new ATOM 0 HA TYR A 46 -4.066 -5.100 13.923 1.00 15.02 H new ATOM 0 HB2 TYR A 46 -2.340 -5.245 12.278 1.00 5.23 H new ATOM 0 HB3 TYR A 46 -1.141 -4.550 13.351 1.00 5.23 H new ATOM 0 HD1 TYR A 46 -0.113 -5.918 15.137 1.00 73.24 H new ATOM 0 HD2 TYR A 46 -2.963 -7.608 12.458 1.00 50.24 H new ATOM 0 HE1 TYR A 46 0.572 -8.171 15.832 1.00 31.20 H new ATOM 0 HE2 TYR A 46 -2.283 -9.862 13.155 1.00 12.32 H new ATOM 0 HH TYR A 46 -0.962 -11.080 14.441 1.00 64.44 H new ATOM 727 N MET A 47 -2.031 -3.986 16.247 1.00 2.45 N ATOM 728 CA MET A 47 -1.674 -4.109 17.656 1.00 14.12 C ATOM 729 C MET A 47 -2.855 -3.741 18.550 1.00 62.33 C ATOM 730 O MET A 47 -2.948 -4.197 19.690 1.00 13.55 O ATOM 731 CB MET A 47 -0.476 -3.215 17.981 1.00 20.12 C ATOM 732 CG MET A 47 0.809 -3.648 17.294 1.00 52.35 C ATOM 733 SD MET A 47 1.670 -4.955 18.189 1.00 75.04 S ATOM 734 CE MET A 47 2.709 -3.989 19.282 1.00 72.31 C ATOM 0 H MET A 47 -1.617 -3.182 15.775 1.00 2.45 H new ATOM 0 HA MET A 47 -1.405 -5.148 17.847 1.00 14.12 H new ATOM 0 HB2 MET A 47 -0.707 -2.191 17.689 1.00 20.12 H new ATOM 0 HB3 MET A 47 -0.318 -3.211 19.060 1.00 20.12 H new ATOM 0 HG2 MET A 47 0.579 -3.994 16.286 1.00 52.35 H new ATOM 0 HG3 MET A 47 1.470 -2.787 17.192 1.00 52.35 H new ATOM 0 HE1 MET A 47 3.757 -4.209 19.077 1.00 72.31 H new ATOM 0 HE2 MET A 47 2.522 -2.928 19.118 1.00 72.31 H new ATOM 0 HE3 MET A 47 2.481 -4.242 20.318 1.00 72.31 H new ATOM 744 N LEU A 48 -3.753 -2.916 18.025 1.00 14.41 N ATOM 745 CA LEU A 48 -4.928 -2.487 18.776 1.00 54.42 C ATOM 746 C LEU A 48 -6.127 -3.378 18.467 1.00 11.12 C ATOM 747 O LEU A 48 -7.272 -2.927 18.498 1.00 34.30 O ATOM 748 CB LEU A 48 -5.263 -1.030 18.448 1.00 34.45 C ATOM 749 CG LEU A 48 -4.435 0.029 19.177 1.00 74.13 C ATOM 750 CD1 LEU A 48 -3.021 0.077 18.619 1.00 13.33 C ATOM 751 CD2 LEU A 48 -5.100 1.393 19.068 1.00 15.31 C ATOM 0 H LEU A 48 -3.691 -2.531 17.083 1.00 14.41 H new ATOM 0 HA LEU A 48 -4.700 -2.571 19.839 1.00 54.42 H new ATOM 0 HB2 LEU A 48 -5.141 -0.883 17.375 1.00 34.45 H new ATOM 0 HB3 LEU A 48 -6.315 -0.860 18.676 1.00 34.45 H new ATOM 0 HG LEU A 48 -4.379 -0.242 20.231 1.00 74.13 H new ATOM 0 HD11 LEU A 48 -2.446 0.836 19.149 1.00 13.33 H new ATOM 0 HD12 LEU A 48 -2.545 -0.895 18.749 1.00 13.33 H new ATOM 0 HD13 LEU A 48 -3.057 0.325 17.558 1.00 13.33 H new ATOM 0 HD21 LEU A 48 -4.497 2.135 19.592 1.00 15.31 H new ATOM 0 HD22 LEU A 48 -5.187 1.673 18.018 1.00 15.31 H new ATOM 0 HD23 LEU A 48 -6.093 1.350 19.515 1.00 15.31 H new ATOM 763 N ARG A 49 -5.855 -4.645 18.172 1.00 54.22 N ATOM 764 CA ARG A 49 -6.912 -5.600 17.859 1.00 43.33 C ATOM 765 C ARG A 49 -7.045 -6.644 18.963 1.00 31.30 C ATOM 766 O ARG A 49 -6.087 -6.967 19.665 1.00 3.24 O ATOM 767 CB ARG A 49 -6.627 -6.288 16.523 1.00 64.13 C ATOM 768 CG ARG A 49 -7.198 -5.550 15.323 1.00 30.01 C ATOM 769 CD ARG A 49 -6.512 -5.969 14.032 1.00 31.54 C ATOM 770 NE ARG A 49 -7.303 -6.942 13.283 1.00 21.34 N ATOM 771 CZ ARG A 49 -8.436 -6.643 12.659 1.00 74.23 C ATOM 772 NH1 ARG A 49 -8.909 -5.405 12.693 1.00 51.03 N ATOM 773 NH2 ARG A 49 -9.099 -7.584 11.998 1.00 52.33 N ATOM 0 H ARG A 49 -4.913 -5.034 18.143 1.00 54.22 H new ATOM 0 HA ARG A 49 -7.852 -5.053 17.785 1.00 43.33 H new ATOM 0 HB2 ARG A 49 -5.549 -6.387 16.398 1.00 64.13 H new ATOM 0 HB3 ARG A 49 -7.039 -7.297 16.548 1.00 64.13 H new ATOM 0 HG2 ARG A 49 -8.267 -5.747 15.248 1.00 30.01 H new ATOM 0 HG3 ARG A 49 -7.081 -4.476 15.466 1.00 30.01 H new ATOM 0 HD2 ARG A 49 -6.338 -5.090 13.412 1.00 31.54 H new ATOM 0 HD3 ARG A 49 -5.536 -6.396 14.262 1.00 31.54 H new ATOM 0 HE ARG A 49 -6.966 -7.904 13.237 1.00 21.34 H new ATOM 0 HH11 ARG A 49 -8.402 -4.679 13.200 1.00 51.03 H new ATOM 0 HH12 ARG A 49 -9.780 -5.178 12.213 1.00 51.03 H new ATOM 0 HH21 ARG A 49 -8.738 -8.538 11.969 1.00 52.33 H new ATOM 0 HH22 ARG A 49 -9.969 -7.354 11.519 1.00 52.33 H new ATOM 787 N PRO A 50 -8.262 -7.186 19.122 1.00 62.03 N ATOM 788 CA PRO A 50 -8.550 -8.202 20.139 1.00 44.14 C ATOM 789 C PRO A 50 -7.887 -9.539 19.826 1.00 73.34 C ATOM 790 O PRO A 50 -7.321 -10.184 20.708 1.00 2.22 O ATOM 791 CB PRO A 50 -10.074 -8.335 20.086 1.00 4.41 C ATOM 792 CG PRO A 50 -10.444 -7.909 18.707 1.00 24.40 C ATOM 793 CD PRO A 50 -9.450 -6.849 18.320 1.00 12.01 C ATOM 0 HA PRO A 50 -8.167 -7.918 21.119 1.00 44.14 H new ATOM 0 HB2 PRO A 50 -10.389 -9.360 20.282 1.00 4.41 H new ATOM 0 HB3 PRO A 50 -10.553 -7.706 20.836 1.00 4.41 H new ATOM 0 HG2 PRO A 50 -10.406 -8.751 18.015 1.00 24.40 H new ATOM 0 HG3 PRO A 50 -11.461 -7.519 18.679 1.00 24.40 H new ATOM 0 HD2 PRO A 50 -9.233 -6.872 17.252 1.00 12.01 H new ATOM 0 HD3 PRO A 50 -9.819 -5.849 18.549 1.00 12.01 H new ATOM 801 N SER A 51 -7.962 -9.951 18.564 1.00 52.41 N ATOM 802 CA SER A 51 -7.373 -11.214 18.135 1.00 4.44 C ATOM 803 C SER A 51 -5.920 -11.317 18.591 1.00 71.23 C ATOM 804 O SER A 51 -5.475 -12.369 19.050 1.00 2.01 O ATOM 805 CB SER A 51 -7.453 -11.348 16.613 1.00 4.25 C ATOM 806 OG SER A 51 -7.381 -12.706 16.217 1.00 65.32 O ATOM 0 H SER A 51 -8.425 -9.428 17.821 1.00 52.41 H new ATOM 0 HA SER A 51 -7.939 -12.025 18.593 1.00 4.44 H new ATOM 0 HB2 SER A 51 -8.385 -10.910 16.255 1.00 4.25 H new ATOM 0 HB3 SER A 51 -6.640 -10.788 16.152 1.00 4.25 H new ATOM 0 HG SER A 51 -7.436 -12.765 15.240 1.00 65.32 H new ATOM 812 N VAL A 52 -5.186 -10.217 18.460 1.00 65.14 N ATOM 813 CA VAL A 52 -3.783 -10.182 18.858 1.00 34.10 C ATOM 814 C VAL A 52 -3.636 -10.358 20.365 1.00 22.12 C ATOM 815 O VAL A 52 -4.253 -9.637 21.148 1.00 42.02 O ATOM 816 CB VAL A 52 -3.114 -8.860 18.439 1.00 44.04 C ATOM 817 CG1 VAL A 52 -1.638 -8.869 18.806 1.00 3.24 C ATOM 818 CG2 VAL A 52 -3.299 -8.619 16.948 1.00 2.21 C ATOM 0 H VAL A 52 -5.539 -9.338 18.081 1.00 65.14 H new ATOM 0 HA VAL A 52 -3.288 -11.008 18.348 1.00 34.10 H new ATOM 0 HB VAL A 52 -3.593 -8.043 18.979 1.00 44.04 H new ATOM 0 HG11 VAL A 52 -1.182 -7.927 18.502 1.00 3.24 H new ATOM 0 HG12 VAL A 52 -1.532 -8.993 19.884 1.00 3.24 H new ATOM 0 HG13 VAL A 52 -1.141 -9.694 18.295 1.00 3.24 H new ATOM 0 HG21 VAL A 52 -2.820 -7.680 16.669 1.00 2.21 H new ATOM 0 HG22 VAL A 52 -2.847 -9.438 16.388 1.00 2.21 H new ATOM 0 HG23 VAL A 52 -4.363 -8.566 16.717 1.00 2.21 H new ATOM 828 N ASN A 53 -2.813 -11.322 20.765 1.00 61.21 N ATOM 829 CA ASN A 53 -2.584 -11.594 22.179 1.00 4.34 C ATOM 830 C ASN A 53 -1.368 -10.826 22.691 1.00 72.14 C ATOM 831 O ASN A 53 -0.810 -9.984 21.986 1.00 24.33 O ATOM 832 CB ASN A 53 -2.386 -13.094 22.407 1.00 51.22 C ATOM 833 CG ASN A 53 -3.550 -13.916 21.886 1.00 5.53 C ATOM 834 OD1 ASN A 53 -3.428 -14.617 20.882 1.00 53.01 O ATOM 835 ND2 ASN A 53 -4.685 -13.832 22.569 1.00 13.24 N ATOM 0 H ASN A 53 -2.294 -11.928 20.130 1.00 61.21 H new ATOM 0 HA ASN A 53 -3.462 -11.262 22.733 1.00 4.34 H new ATOM 0 HB2 ASN A 53 -1.468 -13.416 21.915 1.00 51.22 H new ATOM 0 HB3 ASN A 53 -2.259 -13.283 23.473 1.00 51.22 H new ATOM 0 HD21 ASN A 53 -5.502 -14.362 22.267 1.00 13.24 H new ATOM 0 HD22 ASN A 53 -4.740 -13.238 23.396 1.00 13.24 H new ATOM 842 N THR A 54 -0.962 -11.123 23.921 1.00 15.35 N ATOM 843 CA THR A 54 0.186 -10.461 24.528 1.00 72.11 C ATOM 844 C THR A 54 1.475 -10.818 23.797 1.00 41.31 C ATOM 845 O THR A 54 2.276 -9.942 23.468 1.00 31.33 O ATOM 846 CB THR A 54 0.331 -10.838 26.014 1.00 12.24 C ATOM 847 OG1 THR A 54 -0.185 -12.155 26.239 1.00 51.43 O ATOM 848 CG2 THR A 54 -0.404 -9.842 26.899 1.00 31.21 C ATOM 0 H THR A 54 -1.411 -11.818 24.517 1.00 15.35 H new ATOM 0 HA THR A 54 0.011 -9.388 24.449 1.00 72.11 H new ATOM 0 HB THR A 54 1.390 -10.815 26.270 1.00 12.24 H new ATOM 0 HG1 THR A 54 -0.087 -12.387 27.186 1.00 51.43 H new ATOM 0 HG21 THR A 54 -0.287 -10.129 27.944 1.00 31.21 H new ATOM 0 HG22 THR A 54 0.011 -8.845 26.748 1.00 31.21 H new ATOM 0 HG23 THR A 54 -1.463 -9.837 26.640 1.00 31.21 H new ATOM 856 N ARG A 55 1.669 -12.108 23.545 1.00 44.04 N ATOM 857 CA ARG A 55 2.863 -12.580 22.852 1.00 15.14 C ATOM 858 C ARG A 55 3.048 -11.846 21.527 1.00 22.44 C ATOM 859 O ARG A 55 4.100 -11.258 21.274 1.00 14.14 O ATOM 860 CB ARG A 55 2.772 -14.087 22.605 1.00 50.10 C ATOM 861 CG ARG A 55 4.095 -14.814 22.781 1.00 2.44 C ATOM 862 CD ARG A 55 4.343 -15.174 24.238 1.00 73.52 C ATOM 863 NE ARG A 55 5.754 -15.437 24.504 1.00 5.33 N ATOM 864 CZ ARG A 55 6.365 -16.572 24.183 1.00 74.02 C ATOM 865 NH1 ARG A 55 5.690 -17.545 23.586 1.00 41.14 N ATOM 866 NH2 ARG A 55 7.652 -16.736 24.458 1.00 3.31 N ATOM 0 H ARG A 55 1.016 -12.845 23.810 1.00 44.04 H new ATOM 0 HA ARG A 55 3.726 -12.374 23.485 1.00 15.14 H new ATOM 0 HB2 ARG A 55 2.038 -14.515 23.288 1.00 50.10 H new ATOM 0 HB3 ARG A 55 2.404 -14.259 21.593 1.00 50.10 H new ATOM 0 HG2 ARG A 55 4.097 -15.720 22.176 1.00 2.44 H new ATOM 0 HG3 ARG A 55 4.908 -14.186 22.417 1.00 2.44 H new ATOM 0 HD2 ARG A 55 3.999 -14.360 24.876 1.00 73.52 H new ATOM 0 HD3 ARG A 55 3.755 -16.054 24.499 1.00 73.52 H new ATOM 0 HE ARG A 55 6.301 -14.708 24.962 1.00 5.33 H new ATOM 0 HH11 ARG A 55 4.700 -17.422 23.373 1.00 41.14 H new ATOM 0 HH12 ARG A 55 6.161 -18.416 23.340 1.00 41.14 H new ATOM 0 HH21 ARG A 55 8.175 -15.990 24.917 1.00 3.31 H new ATOM 0 HH22 ARG A 55 8.119 -17.608 24.211 1.00 3.31 H new ATOM 880 N ARG A 56 2.021 -11.887 20.686 1.00 54.44 N ATOM 881 CA ARG A 56 2.071 -11.227 19.386 1.00 22.51 C ATOM 882 C ARG A 56 2.457 -9.759 19.536 1.00 0.21 C ATOM 883 O ARG A 56 3.253 -9.232 18.759 1.00 63.13 O ATOM 884 CB ARG A 56 0.719 -11.341 18.680 1.00 70.01 C ATOM 885 CG ARG A 56 0.274 -12.775 18.444 1.00 52.03 C ATOM 886 CD ARG A 56 1.321 -13.564 17.673 1.00 52.43 C ATOM 887 NE ARG A 56 2.295 -14.194 18.560 1.00 13.41 N ATOM 888 CZ ARG A 56 3.175 -15.103 18.158 1.00 60.34 C ATOM 889 NH1 ARG A 56 3.204 -15.487 16.889 1.00 53.12 N ATOM 890 NH2 ARG A 56 4.029 -15.631 19.025 1.00 44.20 N ATOM 0 H ARG A 56 1.144 -12.370 20.881 1.00 54.44 H new ATOM 0 HA ARG A 56 2.831 -11.724 18.783 1.00 22.51 H new ATOM 0 HB2 ARG A 56 -0.037 -10.828 19.275 1.00 70.01 H new ATOM 0 HB3 ARG A 56 0.774 -10.824 17.722 1.00 70.01 H new ATOM 0 HG2 ARG A 56 0.083 -13.260 19.401 1.00 52.03 H new ATOM 0 HG3 ARG A 56 -0.666 -12.779 17.892 1.00 52.03 H new ATOM 0 HD2 ARG A 56 0.829 -14.330 17.073 1.00 52.43 H new ATOM 0 HD3 ARG A 56 1.838 -12.900 16.980 1.00 52.43 H new ATOM 0 HE ARG A 56 2.299 -13.921 19.543 1.00 13.41 H new ATOM 0 HH11 ARG A 56 2.549 -15.084 16.219 1.00 53.12 H new ATOM 0 HH12 ARG A 56 3.881 -16.186 16.583 1.00 53.12 H new ATOM 0 HH21 ARG A 56 4.010 -15.339 20.002 1.00 44.20 H new ATOM 0 HH22 ARG A 56 4.705 -16.329 18.715 1.00 44.20 H new ATOM 904 N LYS A 57 1.887 -9.102 20.541 1.00 72.33 N ATOM 905 CA LYS A 57 2.170 -7.695 20.794 1.00 3.25 C ATOM 906 C LYS A 57 3.628 -7.498 21.199 1.00 51.35 C ATOM 907 O LYS A 57 4.331 -6.658 20.635 1.00 11.41 O ATOM 908 CB LYS A 57 1.249 -7.157 21.892 1.00 72.43 C ATOM 909 CG LYS A 57 -0.128 -6.759 21.389 1.00 61.14 C ATOM 910 CD LYS A 57 -1.151 -6.752 22.512 1.00 55.24 C ATOM 911 CE LYS A 57 -2.572 -6.689 21.971 1.00 63.21 C ATOM 912 NZ LYS A 57 -3.584 -6.774 23.060 1.00 50.31 N ATOM 0 H LYS A 57 1.226 -9.523 21.194 1.00 72.33 H new ATOM 0 HA LYS A 57 1.988 -7.142 19.872 1.00 3.25 H new ATOM 0 HB2 LYS A 57 1.138 -7.916 22.666 1.00 72.43 H new ATOM 0 HB3 LYS A 57 1.720 -6.292 22.359 1.00 72.43 H new ATOM 0 HG2 LYS A 57 -0.078 -5.769 20.935 1.00 61.14 H new ATOM 0 HG3 LYS A 57 -0.446 -7.452 20.610 1.00 61.14 H new ATOM 0 HD2 LYS A 57 -1.031 -7.649 23.120 1.00 55.24 H new ATOM 0 HD3 LYS A 57 -0.971 -5.898 23.165 1.00 55.24 H new ATOM 0 HE2 LYS A 57 -2.710 -5.759 21.419 1.00 63.21 H new ATOM 0 HE3 LYS A 57 -2.728 -7.505 21.265 1.00 63.21 H new ATOM 0 HZ1 LYS A 57 -4.539 -6.728 22.651 1.00 50.31 H new ATOM 0 HZ2 LYS A 57 -3.469 -7.673 23.571 1.00 50.31 H new ATOM 0 HZ3 LYS A 57 -3.451 -5.981 23.720 1.00 50.31 H new ATOM 926 N LEU A 58 4.077 -8.277 22.176 1.00 34.21 N ATOM 927 CA LEU A 58 5.452 -8.189 22.655 1.00 71.45 C ATOM 928 C LEU A 58 6.439 -8.275 21.494 1.00 34.55 C ATOM 929 O LEU A 58 7.408 -7.518 21.432 1.00 21.25 O ATOM 930 CB LEU A 58 5.734 -9.305 23.663 1.00 41.42 C ATOM 931 CG LEU A 58 7.105 -9.266 24.340 1.00 74.42 C ATOM 932 CD1 LEU A 58 8.166 -9.865 23.430 1.00 3.12 C ATOM 933 CD2 LEU A 58 7.471 -7.840 24.723 1.00 14.10 C ATOM 0 H LEU A 58 3.509 -8.977 22.653 1.00 34.21 H new ATOM 0 HA LEU A 58 5.579 -7.224 23.146 1.00 71.45 H new ATOM 0 HB2 LEU A 58 4.967 -9.271 24.437 1.00 41.42 H new ATOM 0 HB3 LEU A 58 5.630 -10.263 23.153 1.00 41.42 H new ATOM 0 HG LEU A 58 7.057 -9.864 25.250 1.00 74.42 H new ATOM 0 HD11 LEU A 58 9.135 -9.829 23.928 1.00 3.12 H new ATOM 0 HD12 LEU A 58 7.911 -10.901 23.207 1.00 3.12 H new ATOM 0 HD13 LEU A 58 8.213 -9.295 22.502 1.00 3.12 H new ATOM 0 HD21 LEU A 58 8.449 -7.832 25.203 1.00 14.10 H new ATOM 0 HD22 LEU A 58 7.501 -7.219 23.828 1.00 14.10 H new ATOM 0 HD23 LEU A 58 6.725 -7.446 25.413 1.00 14.10 H new ATOM 945 N LEU A 59 6.184 -9.201 20.576 1.00 4.10 N ATOM 946 CA LEU A 59 7.049 -9.385 19.415 1.00 10.25 C ATOM 947 C LEU A 59 6.957 -8.189 18.473 1.00 1.01 C ATOM 948 O LEU A 59 7.972 -7.673 18.007 1.00 23.33 O ATOM 949 CB LEU A 59 6.670 -10.666 18.671 1.00 42.05 C ATOM 950 CG LEU A 59 6.626 -11.943 19.511 1.00 44.14 C ATOM 951 CD1 LEU A 59 5.735 -12.985 18.852 1.00 3.32 C ATOM 952 CD2 LEU A 59 8.030 -12.493 19.718 1.00 71.21 C ATOM 0 H LEU A 59 5.386 -9.836 20.613 1.00 4.10 H new ATOM 0 HA LEU A 59 8.077 -9.468 19.767 1.00 10.25 H new ATOM 0 HB2 LEU A 59 5.691 -10.521 18.215 1.00 42.05 H new ATOM 0 HB3 LEU A 59 7.381 -10.814 17.858 1.00 42.05 H new ATOM 0 HG LEU A 59 6.205 -11.700 20.486 1.00 44.14 H new ATOM 0 HD11 LEU A 59 5.716 -13.887 19.464 1.00 3.32 H new ATOM 0 HD12 LEU A 59 4.724 -12.590 18.756 1.00 3.32 H new ATOM 0 HD13 LEU A 59 6.126 -13.226 17.863 1.00 3.32 H new ATOM 0 HD21 LEU A 59 7.980 -13.402 20.318 1.00 71.21 H new ATOM 0 HD22 LEU A 59 8.478 -12.721 18.751 1.00 71.21 H new ATOM 0 HD23 LEU A 59 8.639 -11.751 20.234 1.00 71.21 H new ATOM 964 N GLY A 60 5.732 -7.751 18.198 1.00 60.31 N ATOM 965 CA GLY A 60 5.530 -6.618 17.314 1.00 2.02 C ATOM 966 C GLY A 60 6.329 -5.402 17.739 1.00 2.02 C ATOM 967 O GLY A 60 6.940 -4.729 16.907 1.00 31.34 O ATOM 0 H GLY A 60 4.876 -8.161 18.572 1.00 60.31 H new ATOM 0 HA2 GLY A 60 5.812 -6.898 16.299 1.00 2.02 H new ATOM 0 HA3 GLY A 60 4.470 -6.363 17.291 1.00 2.02 H new ATOM 971 N LEU A 61 6.325 -5.117 19.037 1.00 72.23 N ATOM 972 CA LEU A 61 7.054 -3.972 19.571 1.00 33.11 C ATOM 973 C LEU A 61 8.542 -4.076 19.252 1.00 74.42 C ATOM 974 O LEU A 61 9.166 -3.103 18.829 1.00 30.02 O ATOM 975 CB LEU A 61 6.851 -3.874 21.084 1.00 32.31 C ATOM 976 CG LEU A 61 6.678 -2.464 21.648 1.00 0.34 C ATOM 977 CD1 LEU A 61 6.593 -2.503 23.166 1.00 3.43 C ATOM 978 CD2 LEU A 61 7.822 -1.566 21.199 1.00 15.21 C ATOM 0 H LEU A 61 5.825 -5.663 19.739 1.00 72.23 H new ATOM 0 HA LEU A 61 6.662 -3.071 19.099 1.00 33.11 H new ATOM 0 HB2 LEU A 61 5.972 -4.461 21.351 1.00 32.31 H new ATOM 0 HB3 LEU A 61 7.706 -4.338 21.576 1.00 32.31 H new ATOM 0 HG LEU A 61 5.746 -2.051 21.263 1.00 0.34 H new ATOM 0 HD11 LEU A 61 6.470 -1.490 23.550 1.00 3.43 H new ATOM 0 HD12 LEU A 61 5.740 -3.111 23.467 1.00 3.43 H new ATOM 0 HD13 LEU A 61 7.508 -2.936 23.571 1.00 3.43 H new ATOM 0 HD21 LEU A 61 7.682 -0.566 21.610 1.00 15.21 H new ATOM 0 HD22 LEU A 61 8.767 -1.976 21.555 1.00 15.21 H new ATOM 0 HD23 LEU A 61 7.837 -1.512 20.110 1.00 15.21 H new ATOM 990 N TYR A 62 9.103 -5.263 19.455 1.00 70.13 N ATOM 991 CA TYR A 62 10.518 -5.495 19.189 1.00 53.23 C ATOM 992 C TYR A 62 10.822 -5.355 17.700 1.00 21.53 C ATOM 993 O TYR A 62 11.917 -4.945 17.314 1.00 2.50 O ATOM 994 CB TYR A 62 10.929 -6.885 19.677 1.00 51.02 C ATOM 995 CG TYR A 62 11.263 -6.935 21.151 1.00 51.04 C ATOM 996 CD1 TYR A 62 12.143 -6.020 21.715 1.00 21.32 C ATOM 997 CD2 TYR A 62 10.697 -7.897 21.979 1.00 42.33 C ATOM 998 CE1 TYR A 62 12.452 -6.063 23.061 1.00 53.00 C ATOM 999 CE2 TYR A 62 10.999 -7.946 23.326 1.00 12.00 C ATOM 1000 CZ TYR A 62 11.877 -7.027 23.862 1.00 31.42 C ATOM 1001 OH TYR A 62 12.181 -7.072 25.204 1.00 74.34 O ATOM 0 H TYR A 62 8.600 -6.079 19.803 1.00 70.13 H new ATOM 0 HA TYR A 62 11.092 -4.743 19.731 1.00 53.23 H new ATOM 0 HB2 TYR A 62 10.120 -7.587 19.472 1.00 51.02 H new ATOM 0 HB3 TYR A 62 11.794 -7.220 19.105 1.00 51.02 H new ATOM 0 HD1 TYR A 62 12.593 -5.262 21.091 1.00 21.32 H new ATOM 0 HD2 TYR A 62 10.010 -8.618 21.562 1.00 42.33 H new ATOM 0 HE1 TYR A 62 13.140 -5.346 23.483 1.00 53.00 H new ATOM 0 HE2 TYR A 62 10.550 -8.700 23.956 1.00 12.00 H new ATOM 0 HH TYR A 62 11.692 -7.809 25.626 1.00 74.34 H new ATOM 1011 N LEU A 63 9.845 -5.700 16.869 1.00 62.13 N ATOM 1012 CA LEU A 63 10.006 -5.613 15.421 1.00 22.54 C ATOM 1013 C LEU A 63 10.095 -4.159 14.969 1.00 23.35 C ATOM 1014 O LEU A 63 11.062 -3.758 14.322 1.00 22.54 O ATOM 1015 CB LEU A 63 8.840 -6.308 14.716 1.00 31.12 C ATOM 1016 CG LEU A 63 8.738 -6.083 13.207 1.00 21.22 C ATOM 1017 CD1 LEU A 63 8.438 -7.391 12.492 1.00 62.23 C ATOM 1018 CD2 LEU A 63 7.671 -5.045 12.894 1.00 51.25 C ATOM 0 H LEU A 63 8.933 -6.042 17.172 1.00 62.13 H new ATOM 0 HA LEU A 63 10.936 -6.115 15.153 1.00 22.54 H new ATOM 0 HB2 LEU A 63 8.918 -7.380 14.899 1.00 31.12 H new ATOM 0 HB3 LEU A 63 7.911 -5.973 15.177 1.00 31.12 H new ATOM 0 HG LEU A 63 9.697 -5.708 12.849 1.00 21.22 H new ATOM 0 HD11 LEU A 63 8.369 -7.212 11.419 1.00 62.23 H new ATOM 0 HD12 LEU A 63 9.237 -8.105 12.690 1.00 62.23 H new ATOM 0 HD13 LEU A 63 7.493 -7.795 12.854 1.00 62.23 H new ATOM 0 HD21 LEU A 63 7.612 -4.897 11.816 1.00 51.25 H new ATOM 0 HD22 LEU A 63 6.707 -5.391 13.266 1.00 51.25 H new ATOM 0 HD23 LEU A 63 7.929 -4.102 13.376 1.00 51.25 H new ATOM 1030 N MET A 64 9.081 -3.374 15.317 1.00 40.01 N ATOM 1031 CA MET A 64 9.047 -1.963 14.950 1.00 71.03 C ATOM 1032 C MET A 64 10.219 -1.211 15.572 1.00 42.14 C ATOM 1033 O MET A 64 10.712 -0.235 15.007 1.00 23.51 O ATOM 1034 CB MET A 64 7.727 -1.330 15.394 1.00 73.24 C ATOM 1035 CG MET A 64 7.703 -0.941 16.863 1.00 70.12 C ATOM 1036 SD MET A 64 8.162 0.782 17.132 1.00 34.34 S ATOM 1037 CE MET A 64 7.381 1.096 18.714 1.00 41.45 C ATOM 0 H MET A 64 8.272 -3.691 15.852 1.00 40.01 H new ATOM 0 HA MET A 64 9.128 -1.894 13.865 1.00 71.03 H new ATOM 0 HB2 MET A 64 7.537 -0.444 14.789 1.00 73.24 H new ATOM 0 HB3 MET A 64 6.914 -2.030 15.199 1.00 73.24 H new ATOM 0 HG2 MET A 64 6.705 -1.114 17.265 1.00 70.12 H new ATOM 0 HG3 MET A 64 8.385 -1.586 17.417 1.00 70.12 H new ATOM 0 HE1 MET A 64 7.132 2.154 18.793 1.00 41.45 H new ATOM 0 HE2 MET A 64 6.471 0.502 18.795 1.00 41.45 H new ATOM 0 HE3 MET A 64 8.065 0.823 19.518 1.00 41.45 H new ATOM 1047 N ASN A 65 10.660 -1.671 16.738 1.00 61.31 N ATOM 1048 CA ASN A 65 11.774 -1.041 17.437 1.00 42.23 C ATOM 1049 C ASN A 65 13.093 -1.319 16.721 1.00 34.43 C ATOM 1050 O ASN A 65 13.928 -0.428 16.566 1.00 55.34 O ATOM 1051 CB ASN A 65 11.848 -1.543 18.880 1.00 60.20 C ATOM 1052 CG ASN A 65 12.660 -0.623 19.771 1.00 33.35 C ATOM 1053 OD1 ASN A 65 12.932 0.523 19.415 1.00 11.34 O ATOM 1054 ND2 ASN A 65 13.051 -1.124 20.938 1.00 53.42 N ATOM 0 H ASN A 65 10.263 -2.478 17.219 1.00 61.31 H new ATOM 0 HA ASN A 65 11.604 0.036 17.443 1.00 42.23 H new ATOM 0 HB2 ASN A 65 10.839 -1.636 19.282 1.00 60.20 H new ATOM 0 HB3 ASN A 65 12.289 -2.540 18.893 1.00 60.20 H new ATOM 0 HD21 ASN A 65 13.600 -0.552 21.580 1.00 53.42 H new ATOM 0 HD22 ASN A 65 12.802 -2.080 21.192 1.00 53.42 H new ATOM 1061 N HIS A 66 13.273 -2.563 16.287 1.00 11.14 N ATOM 1062 CA HIS A 66 14.489 -2.959 15.587 1.00 24.40 C ATOM 1063 C HIS A 66 14.575 -2.284 14.222 1.00 51.13 C ATOM 1064 O HIS A 66 15.663 -1.966 13.742 1.00 2.10 O ATOM 1065 CB HIS A 66 14.535 -4.479 15.421 1.00 5.41 C ATOM 1066 CG HIS A 66 15.915 -5.014 15.189 1.00 32.33 C ATOM 1067 ND1 HIS A 66 16.582 -5.275 14.041 1.00 33.13 N flip ATOM 1068 CD2 HIS A 66 16.775 -5.348 16.214 1.00 73.33 C flip ATOM 1069 CE1 HIS A 66 17.820 -5.756 14.389 1.00 4.52 C flip ATOM 1070 NE2 HIS A 66 17.911 -5.790 15.706 1.00 50.10 N flip ATOM 0 H HIS A 66 12.592 -3.313 16.408 1.00 11.14 H new ATOM 0 HA HIS A 66 15.343 -2.640 16.185 1.00 24.40 H new ATOM 0 HB2 HIS A 66 14.118 -4.947 16.313 1.00 5.41 H new ATOM 0 HB3 HIS A 66 13.898 -4.764 14.584 1.00 5.41 H new ATOM 0 HD2 HIS A 66 16.554 -5.262 17.268 1.00 73.33 H new ATOM 0 HE1 HIS A 66 18.593 -6.057 13.698 1.00 4.52 H new ATOM 0 HE2 HIS A 66 18.721 -6.104 16.240 1.00 50.10 H new ATOM 1078 N VAL A 67 13.420 -2.068 13.600 1.00 31.30 N ATOM 1079 CA VAL A 67 13.364 -1.430 12.290 1.00 21.41 C ATOM 1080 C VAL A 67 13.681 0.058 12.389 1.00 32.55 C ATOM 1081 O VAL A 67 14.558 0.565 11.690 1.00 30.23 O ATOM 1082 CB VAL A 67 11.980 -1.607 11.638 1.00 31.13 C ATOM 1083 CG1 VAL A 67 11.960 -0.985 10.250 1.00 33.04 C ATOM 1084 CG2 VAL A 67 11.604 -3.080 11.577 1.00 64.01 C ATOM 0 H VAL A 67 12.510 -2.326 13.983 1.00 31.30 H new ATOM 0 HA VAL A 67 14.115 -1.918 11.668 1.00 21.41 H new ATOM 0 HB VAL A 67 11.240 -1.092 12.251 1.00 31.13 H new ATOM 0 HG11 VAL A 67 10.974 -1.120 9.805 1.00 33.04 H new ATOM 0 HG12 VAL A 67 12.182 0.080 10.325 1.00 33.04 H new ATOM 0 HG13 VAL A 67 12.710 -1.468 9.624 1.00 33.04 H new ATOM 0 HG21 VAL A 67 10.623 -3.186 11.113 1.00 64.01 H new ATOM 0 HG22 VAL A 67 12.345 -3.620 10.987 1.00 64.01 H new ATOM 0 HG23 VAL A 67 11.574 -3.490 12.586 1.00 64.01 H new ATOM 1094 N VAL A 68 12.961 0.753 13.264 1.00 54.11 N ATOM 1095 CA VAL A 68 13.165 2.184 13.457 1.00 65.33 C ATOM 1096 C VAL A 68 14.570 2.473 13.975 1.00 34.23 C ATOM 1097 O VAL A 68 15.165 3.497 13.643 1.00 2.33 O ATOM 1098 CB VAL A 68 12.136 2.771 14.441 1.00 72.45 C ATOM 1099 CG1 VAL A 68 10.723 2.579 13.912 1.00 55.12 C ATOM 1100 CG2 VAL A 68 12.290 2.136 15.814 1.00 24.04 C ATOM 0 H VAL A 68 12.231 0.348 13.850 1.00 54.11 H new ATOM 0 HA VAL A 68 13.035 2.656 12.483 1.00 65.33 H new ATOM 0 HB VAL A 68 12.321 3.841 14.538 1.00 72.45 H new ATOM 0 HG11 VAL A 68 10.009 3.000 14.620 1.00 55.12 H new ATOM 0 HG12 VAL A 68 10.622 3.084 12.952 1.00 55.12 H new ATOM 0 HG13 VAL A 68 10.524 1.515 13.785 1.00 55.12 H new ATOM 0 HG21 VAL A 68 11.555 2.563 16.497 1.00 24.04 H new ATOM 0 HG22 VAL A 68 12.132 1.060 15.737 1.00 24.04 H new ATOM 0 HG23 VAL A 68 13.293 2.329 16.194 1.00 24.04 H new ATOM 1110 N GLN A 69 15.092 1.563 14.791 1.00 64.33 N ATOM 1111 CA GLN A 69 16.427 1.721 15.355 1.00 24.45 C ATOM 1112 C GLN A 69 17.492 1.648 14.266 1.00 73.54 C ATOM 1113 O GLN A 69 18.435 2.438 14.253 1.00 53.12 O ATOM 1114 CB GLN A 69 16.688 0.645 16.412 1.00 54.41 C ATOM 1115 CG GLN A 69 16.222 1.036 17.805 1.00 5.44 C ATOM 1116 CD GLN A 69 16.688 0.063 18.870 1.00 34.04 C ATOM 1117 OE1 GLN A 69 17.807 -0.446 18.816 1.00 63.30 O ATOM 1118 NE2 GLN A 69 15.828 -0.201 19.848 1.00 70.05 N ATOM 0 H GLN A 69 14.611 0.710 15.076 1.00 64.33 H new ATOM 0 HA GLN A 69 16.481 2.703 15.824 1.00 24.45 H new ATOM 0 HB2 GLN A 69 16.185 -0.275 16.114 1.00 54.41 H new ATOM 0 HB3 GLN A 69 17.756 0.429 16.442 1.00 54.41 H new ATOM 0 HG2 GLN A 69 16.593 2.033 18.042 1.00 5.44 H new ATOM 0 HG3 GLN A 69 15.133 1.090 17.818 1.00 5.44 H new ATOM 0 HE21 GLN A 69 14.910 0.244 19.854 1.00 70.05 H new ATOM 0 HE22 GLN A 69 16.086 -0.848 20.593 1.00 70.05 H new ATOM 1127 N GLN A 70 17.333 0.694 13.354 1.00 63.33 N ATOM 1128 CA GLN A 70 18.282 0.517 12.261 1.00 50.55 C ATOM 1129 C GLN A 70 18.109 1.608 11.209 1.00 42.23 C ATOM 1130 O GLN A 70 19.068 2.003 10.546 1.00 24.15 O ATOM 1131 CB GLN A 70 18.103 -0.859 11.619 1.00 71.43 C ATOM 1132 CG GLN A 70 18.809 -1.977 12.370 1.00 75.14 C ATOM 1133 CD GLN A 70 20.290 -2.046 12.057 1.00 43.43 C ATOM 1134 OE1 GLN A 70 21.123 -1.583 12.837 1.00 63.32 O ATOM 1135 NE2 GLN A 70 20.627 -2.625 10.910 1.00 3.33 N ATOM 0 H GLN A 70 16.557 0.032 13.350 1.00 63.33 H new ATOM 0 HA GLN A 70 19.289 0.589 12.672 1.00 50.55 H new ATOM 0 HB2 GLN A 70 17.039 -1.088 11.560 1.00 71.43 H new ATOM 0 HB3 GLN A 70 18.479 -0.825 10.596 1.00 71.43 H new ATOM 0 HG2 GLN A 70 18.675 -1.831 13.442 1.00 75.14 H new ATOM 0 HG3 GLN A 70 18.343 -2.930 12.117 1.00 75.14 H new ATOM 0 HE21 GLN A 70 19.903 -2.995 10.294 1.00 3.33 H new ATOM 0 HE22 GLN A 70 21.609 -2.700 10.646 1.00 3.33 H new ATOM 1144 N ALA A 71 16.880 2.091 11.060 1.00 31.13 N ATOM 1145 CA ALA A 71 16.582 3.137 10.090 1.00 11.11 C ATOM 1146 C ALA A 71 17.539 4.315 10.241 1.00 20.42 C ATOM 1147 O ALA A 71 17.890 4.972 9.261 1.00 4.35 O ATOM 1148 CB ALA A 71 15.141 3.603 10.242 1.00 63.33 C ATOM 0 H ALA A 71 16.074 1.774 11.599 1.00 31.13 H new ATOM 0 HA ALA A 71 16.715 2.720 9.092 1.00 11.11 H new ATOM 0 HB1 ALA A 71 14.932 4.384 9.511 1.00 63.33 H new ATOM 0 HB2 ALA A 71 14.467 2.762 10.077 1.00 63.33 H new ATOM 0 HB3 ALA A 71 14.990 3.997 11.247 1.00 63.33 H new ATOM 1154 N LYS A 72 17.958 4.576 11.475 1.00 55.32 N ATOM 1155 CA LYS A 72 18.875 5.674 11.755 1.00 12.52 C ATOM 1156 C LYS A 72 20.159 5.532 10.944 1.00 75.23 C ATOM 1157 O LYS A 72 20.750 6.524 10.520 1.00 72.13 O ATOM 1158 CB LYS A 72 19.206 5.721 13.249 1.00 54.24 C ATOM 1159 CG LYS A 72 18.247 6.577 14.058 1.00 54.45 C ATOM 1160 CD LYS A 72 18.889 7.072 15.342 1.00 1.44 C ATOM 1161 CE LYS A 72 19.627 8.385 15.127 1.00 15.11 C ATOM 1162 NZ LYS A 72 21.043 8.166 14.724 1.00 62.21 N ATOM 0 H LYS A 72 17.677 4.042 12.297 1.00 55.32 H new ATOM 0 HA LYS A 72 18.386 6.605 11.467 1.00 12.52 H new ATOM 0 HB2 LYS A 72 19.198 4.706 13.646 1.00 54.24 H new ATOM 0 HB3 LYS A 72 20.218 6.105 13.376 1.00 54.24 H new ATOM 0 HG2 LYS A 72 17.925 7.429 13.459 1.00 54.45 H new ATOM 0 HG3 LYS A 72 17.354 5.999 14.296 1.00 54.45 H new ATOM 0 HD2 LYS A 72 18.122 7.205 16.105 1.00 1.44 H new ATOM 0 HD3 LYS A 72 19.584 6.320 15.716 1.00 1.44 H new ATOM 0 HE2 LYS A 72 19.117 8.967 14.359 1.00 15.11 H new ATOM 0 HE3 LYS A 72 19.597 8.973 16.045 1.00 15.11 H new ATOM 0 HZ1 LYS A 72 21.621 8.973 15.035 1.00 62.21 H new ATOM 0 HZ2 LYS A 72 21.399 7.294 15.166 1.00 62.21 H new ATOM 0 HZ3 LYS A 72 21.100 8.078 13.689 1.00 62.21 H new ATOM 1176 N GLY A 73 20.584 4.290 10.730 1.00 54.21 N ATOM 1177 CA GLY A 73 21.794 4.041 9.969 1.00 54.15 C ATOM 1178 C GLY A 73 21.612 4.308 8.488 1.00 60.05 C ATOM 1179 O GLY A 73 22.533 4.774 7.817 1.00 21.15 O ATOM 0 H GLY A 73 20.112 3.452 11.070 1.00 54.21 H new ATOM 0 HA2 GLY A 73 22.597 4.670 10.353 1.00 54.15 H new ATOM 0 HA3 GLY A 73 22.104 3.006 10.113 1.00 54.15 H new ATOM 1183 N GLN A 74 20.422 4.011 7.976 1.00 60.52 N ATOM 1184 CA GLN A 74 20.124 4.219 6.564 1.00 45.33 C ATOM 1185 C GLN A 74 19.604 5.632 6.320 1.00 3.11 C ATOM 1186 O GLN A 74 19.245 5.988 5.197 1.00 4.35 O ATOM 1187 CB GLN A 74 19.097 3.194 6.080 1.00 10.43 C ATOM 1188 CG GLN A 74 19.356 1.786 6.591 1.00 52.12 C ATOM 1189 CD GLN A 74 20.823 1.407 6.540 1.00 11.40 C ATOM 1190 OE1 GLN A 74 21.525 1.725 5.579 1.00 31.35 O ATOM 1191 NE2 GLN A 74 21.295 0.725 7.577 1.00 74.11 N ATOM 0 H GLN A 74 19.649 3.626 8.518 1.00 60.52 H new ATOM 0 HA GLN A 74 21.048 4.089 6.001 1.00 45.33 H new ATOM 0 HB2 GLN A 74 18.103 3.510 6.398 1.00 10.43 H new ATOM 0 HB3 GLN A 74 19.094 3.181 4.990 1.00 10.43 H new ATOM 0 HG2 GLN A 74 18.999 1.705 7.618 1.00 52.12 H new ATOM 0 HG3 GLN A 74 18.780 1.076 5.997 1.00 52.12 H new ATOM 0 HE21 GLN A 74 20.677 0.483 8.352 1.00 74.11 H new ATOM 0 HE22 GLN A 74 22.275 0.443 7.599 1.00 74.11 H new ATOM 1200 N LYS A 75 19.566 6.434 7.379 1.00 73.20 N ATOM 1201 CA LYS A 75 19.090 7.809 7.281 1.00 23.34 C ATOM 1202 C LYS A 75 17.617 7.848 6.888 1.00 1.51 C ATOM 1203 O LYS A 75 17.249 8.464 5.887 1.00 32.02 O ATOM 1204 CB LYS A 75 19.923 8.587 6.260 1.00 70.42 C ATOM 1205 CG LYS A 75 21.419 8.364 6.399 1.00 40.14 C ATOM 1206 CD LYS A 75 21.920 8.783 7.771 1.00 62.44 C ATOM 1207 CE LYS A 75 21.826 10.288 7.963 1.00 51.50 C ATOM 1208 NZ LYS A 75 22.822 10.785 8.952 1.00 24.31 N ATOM 0 H LYS A 75 19.859 6.155 8.315 1.00 73.20 H new ATOM 0 HA LYS A 75 19.199 8.276 8.260 1.00 23.34 H new ATOM 0 HB2 LYS A 75 19.613 8.299 5.256 1.00 70.42 H new ATOM 0 HB3 LYS A 75 19.711 9.651 6.366 1.00 70.42 H new ATOM 0 HG2 LYS A 75 21.648 7.311 6.233 1.00 40.14 H new ATOM 0 HG3 LYS A 75 21.945 8.930 5.630 1.00 40.14 H new ATOM 0 HD2 LYS A 75 21.336 8.280 8.542 1.00 62.44 H new ATOM 0 HD3 LYS A 75 22.955 8.463 7.895 1.00 62.44 H new ATOM 0 HE2 LYS A 75 21.984 10.787 7.007 1.00 51.50 H new ATOM 0 HE3 LYS A 75 20.822 10.549 8.296 1.00 51.50 H new ATOM 0 HZ1 LYS A 75 22.725 11.815 9.054 1.00 24.31 H new ATOM 0 HZ2 LYS A 75 22.656 10.329 9.872 1.00 24.31 H new ATOM 0 HZ3 LYS A 75 23.782 10.559 8.622 1.00 24.31 H new ATOM 1222 N ILE A 76 16.780 7.190 7.682 1.00 15.12 N ATOM 1223 CA ILE A 76 15.347 7.153 7.418 1.00 54.15 C ATOM 1224 C ILE A 76 14.569 7.903 8.494 1.00 43.21 C ATOM 1225 O ILE A 76 14.708 7.621 9.684 1.00 30.33 O ATOM 1226 CB ILE A 76 14.826 5.706 7.339 1.00 71.14 C ATOM 1227 CG1 ILE A 76 15.795 4.835 6.536 1.00 53.22 C ATOM 1228 CG2 ILE A 76 13.438 5.676 6.716 1.00 31.43 C ATOM 1229 CD1 ILE A 76 15.988 5.303 5.110 1.00 30.23 C ATOM 0 H ILE A 76 17.069 6.675 8.514 1.00 15.12 H new ATOM 0 HA ILE A 76 15.192 7.640 6.455 1.00 54.15 H new ATOM 0 HB ILE A 76 14.758 5.304 8.350 1.00 71.14 H new ATOM 0 HG12 ILE A 76 16.762 4.822 7.040 1.00 53.22 H new ATOM 0 HG13 ILE A 76 15.426 3.809 6.527 1.00 53.22 H new ATOM 0 HG21 ILE A 76 13.083 4.646 6.667 1.00 31.43 H new ATOM 0 HG22 ILE A 76 12.753 6.267 7.324 1.00 31.43 H new ATOM 0 HG23 ILE A 76 13.482 6.093 5.710 1.00 31.43 H new ATOM 0 HD11 ILE A 76 16.687 4.639 4.601 1.00 30.23 H new ATOM 0 HD12 ILE A 76 15.030 5.290 4.590 1.00 30.23 H new ATOM 0 HD13 ILE A 76 16.386 6.318 5.111 1.00 30.23 H new ATOM 1241 N ILE A 77 13.750 8.859 8.067 1.00 24.41 N ATOM 1242 CA ILE A 77 12.949 9.647 8.994 1.00 15.22 C ATOM 1243 C ILE A 77 11.466 9.319 8.856 1.00 71.43 C ATOM 1244 O ILE A 77 10.676 9.577 9.763 1.00 21.34 O ATOM 1245 CB ILE A 77 13.151 11.157 8.770 1.00 3.41 C ATOM 1246 CG1 ILE A 77 14.643 11.493 8.727 1.00 25.11 C ATOM 1247 CG2 ILE A 77 12.455 11.953 9.864 1.00 41.30 C ATOM 1248 CD1 ILE A 77 15.374 11.166 10.011 1.00 55.00 C ATOM 0 H ILE A 77 13.624 9.106 7.085 1.00 24.41 H new ATOM 0 HA ILE A 77 13.284 9.388 9.998 1.00 15.22 H new ATOM 0 HB ILE A 77 12.708 11.429 7.812 1.00 3.41 H new ATOM 0 HG12 ILE A 77 15.107 10.947 7.905 1.00 25.11 H new ATOM 0 HG13 ILE A 77 14.762 12.555 8.511 1.00 25.11 H new ATOM 0 HG21 ILE A 77 12.607 13.018 9.692 1.00 41.30 H new ATOM 0 HG22 ILE A 77 11.388 11.732 9.852 1.00 41.30 H new ATOM 0 HG23 ILE A 77 12.871 11.679 10.834 1.00 41.30 H new ATOM 0 HD11 ILE A 77 16.426 11.430 9.908 1.00 55.00 H new ATOM 0 HD12 ILE A 77 14.936 11.732 10.833 1.00 55.00 H new ATOM 0 HD13 ILE A 77 15.286 10.099 10.218 1.00 55.00 H new ATOM 1260 N GLN A 78 11.096 8.746 7.714 1.00 4.34 N ATOM 1261 CA GLN A 78 9.708 8.381 7.458 1.00 43.21 C ATOM 1262 C GLN A 78 9.266 7.246 8.375 1.00 72.43 C ATOM 1263 O GLN A 78 8.095 7.153 8.745 1.00 2.32 O ATOM 1264 CB GLN A 78 9.529 7.971 5.995 1.00 14.12 C ATOM 1265 CG GLN A 78 8.205 8.418 5.396 1.00 11.12 C ATOM 1266 CD GLN A 78 8.308 9.752 4.682 1.00 30.45 C ATOM 1267 OE1 GLN A 78 8.226 9.820 3.456 1.00 42.22 O ATOM 1268 NE2 GLN A 78 8.488 10.821 5.449 1.00 44.03 N ATOM 0 H GLN A 78 11.738 8.525 6.953 1.00 4.34 H new ATOM 0 HA GLN A 78 9.085 9.252 7.663 1.00 43.21 H new ATOM 0 HB2 GLN A 78 10.345 8.390 5.406 1.00 14.12 H new ATOM 0 HB3 GLN A 78 9.605 6.886 5.918 1.00 14.12 H new ATOM 0 HG2 GLN A 78 7.854 7.661 4.695 1.00 11.12 H new ATOM 0 HG3 GLN A 78 7.459 8.490 6.187 1.00 11.12 H new ATOM 0 HE21 GLN A 78 8.550 10.717 6.462 1.00 44.03 H new ATOM 0 HE22 GLN A 78 8.564 11.746 5.025 1.00 44.03 H new ATOM 1277 N PHE A 79 10.209 6.383 8.737 1.00 21.41 N ATOM 1278 CA PHE A 79 9.916 5.252 9.610 1.00 61.42 C ATOM 1279 C PHE A 79 9.743 5.710 11.055 1.00 43.21 C ATOM 1280 O PHE A 79 8.766 5.360 11.715 1.00 75.42 O ATOM 1281 CB PHE A 79 11.034 4.211 9.524 1.00 61.45 C ATOM 1282 CG PHE A 79 10.721 3.071 8.597 1.00 64.41 C ATOM 1283 CD1 PHE A 79 9.561 2.330 8.755 1.00 23.12 C ATOM 1284 CD2 PHE A 79 11.588 2.739 7.568 1.00 41.42 C ATOM 1285 CE1 PHE A 79 9.270 1.280 7.904 1.00 3.40 C ATOM 1286 CE2 PHE A 79 11.302 1.691 6.713 1.00 2.43 C ATOM 1287 CZ PHE A 79 10.143 0.960 6.882 1.00 14.23 C ATOM 0 H PHE A 79 11.183 6.445 8.440 1.00 21.41 H new ATOM 0 HA PHE A 79 8.982 4.801 9.276 1.00 61.42 H new ATOM 0 HB2 PHE A 79 11.950 4.699 9.190 1.00 61.45 H new ATOM 0 HB3 PHE A 79 11.229 3.815 10.521 1.00 61.45 H new ATOM 0 HD1 PHE A 79 8.876 2.576 9.553 1.00 23.12 H new ATOM 0 HD2 PHE A 79 12.497 3.305 7.433 1.00 41.42 H new ATOM 0 HE1 PHE A 79 8.362 0.711 8.038 1.00 3.40 H new ATOM 0 HE2 PHE A 79 11.985 1.444 5.913 1.00 2.43 H new ATOM 0 HZ PHE A 79 9.919 0.139 6.216 1.00 14.23 H new ATOM 1297 N GLN A 80 10.700 6.495 11.539 1.00 44.43 N ATOM 1298 CA GLN A 80 10.655 7.001 12.906 1.00 72.14 C ATOM 1299 C GLN A 80 9.373 7.790 13.152 1.00 60.21 C ATOM 1300 O GLN A 80 8.771 7.697 14.222 1.00 61.32 O ATOM 1301 CB GLN A 80 11.873 7.883 13.186 1.00 15.04 C ATOM 1302 CG GLN A 80 13.195 7.227 12.826 1.00 64.24 C ATOM 1303 CD GLN A 80 14.392 8.061 13.238 1.00 23.42 C ATOM 1304 OE1 GLN A 80 15.322 7.446 13.961 1.00 20.54 O flip ATOM 1305 NE2 GLN A 80 14.481 9.245 12.911 1.00 55.02 N flip ATOM 0 H GLN A 80 11.516 6.794 11.005 1.00 44.43 H new ATOM 0 HA GLN A 80 10.670 6.147 13.584 1.00 72.14 H new ATOM 0 HB2 GLN A 80 11.774 8.813 12.626 1.00 15.04 H new ATOM 0 HB3 GLN A 80 11.884 8.147 14.243 1.00 15.04 H new ATOM 0 HG2 GLN A 80 13.255 6.251 13.307 1.00 64.24 H new ATOM 0 HG3 GLN A 80 13.230 7.055 11.750 1.00 64.24 H new ATOM 0 HE21 GLN A 80 13.743 9.677 12.355 1.00 55.02 H new ATOM 0 HE22 GLN A 80 15.293 9.793 13.196 1.00 55.02 H new ATOM 1314 N ASP A 81 8.961 8.566 12.155 1.00 24.15 N ATOM 1315 CA ASP A 81 7.750 9.371 12.264 1.00 43.05 C ATOM 1316 C ASP A 81 6.505 8.496 12.161 1.00 61.22 C ATOM 1317 O ASP A 81 5.595 8.595 12.984 1.00 52.15 O ATOM 1318 CB ASP A 81 7.726 10.444 11.173 1.00 23.44 C ATOM 1319 CG ASP A 81 6.521 11.356 11.285 1.00 33.14 C ATOM 1320 OD1 ASP A 81 6.061 11.596 12.422 1.00 43.02 O ATOM 1321 OD2 ASP A 81 6.037 11.831 10.237 1.00 61.43 O ATOM 0 H ASP A 81 9.448 8.654 11.263 1.00 24.15 H new ATOM 0 HA ASP A 81 7.752 9.856 13.240 1.00 43.05 H new ATOM 0 HB2 ASP A 81 8.636 11.040 11.234 1.00 23.44 H new ATOM 0 HB3 ASP A 81 7.725 9.963 10.195 1.00 23.44 H new ATOM 1326 N SER A 82 6.472 7.640 11.145 1.00 72.44 N ATOM 1327 CA SER A 82 5.336 6.750 10.931 1.00 1.22 C ATOM 1328 C SER A 82 5.105 5.863 12.150 1.00 34.34 C ATOM 1329 O SER A 82 3.976 5.715 12.620 1.00 50.02 O ATOM 1330 CB SER A 82 5.566 5.884 9.692 1.00 71.54 C ATOM 1331 OG SER A 82 6.620 4.961 9.903 1.00 62.50 O ATOM 0 H SER A 82 7.219 7.544 10.457 1.00 72.44 H new ATOM 0 HA SER A 82 4.449 7.364 10.776 1.00 1.22 H new ATOM 0 HB2 SER A 82 4.651 5.346 9.446 1.00 71.54 H new ATOM 0 HB3 SER A 82 5.801 6.520 8.839 1.00 71.54 H new ATOM 0 HG SER A 82 7.312 5.376 10.460 1.00 62.50 H new ATOM 1337 N PHE A 83 6.182 5.274 12.659 1.00 71.43 N ATOM 1338 CA PHE A 83 6.098 4.399 13.823 1.00 54.33 C ATOM 1339 C PHE A 83 5.975 5.214 15.107 1.00 1.11 C ATOM 1340 O PHE A 83 5.455 4.733 16.113 1.00 50.30 O ATOM 1341 CB PHE A 83 7.328 3.493 13.896 1.00 31.51 C ATOM 1342 CG PHE A 83 7.173 2.209 13.131 1.00 1.30 C ATOM 1343 CD1 PHE A 83 6.087 1.379 13.357 1.00 0.13 C ATOM 1344 CD2 PHE A 83 8.113 1.833 12.185 1.00 3.43 C ATOM 1345 CE1 PHE A 83 5.943 0.197 12.655 1.00 12.42 C ATOM 1346 CE2 PHE A 83 7.974 0.653 11.480 1.00 62.13 C ATOM 1347 CZ PHE A 83 6.887 -0.166 11.714 1.00 12.54 C ATOM 0 H PHE A 83 7.124 5.387 12.284 1.00 71.43 H new ATOM 0 HA PHE A 83 5.206 3.781 13.719 1.00 54.33 H new ATOM 0 HB2 PHE A 83 8.192 4.035 13.510 1.00 31.51 H new ATOM 0 HB3 PHE A 83 7.537 3.261 14.940 1.00 31.51 H new ATOM 0 HD1 PHE A 83 5.345 1.659 14.090 1.00 0.13 H new ATOM 0 HD2 PHE A 83 8.965 2.470 11.996 1.00 3.43 H new ATOM 0 HE1 PHE A 83 5.093 -0.442 12.842 1.00 12.42 H new ATOM 0 HE2 PHE A 83 8.715 0.371 10.746 1.00 62.13 H new ATOM 0 HZ PHE A 83 6.775 -1.088 11.163 1.00 12.54 H new ATOM 1357 N GLY A 84 6.459 6.452 15.064 1.00 24.34 N ATOM 1358 CA GLY A 84 6.396 7.314 16.230 1.00 33.21 C ATOM 1359 C GLY A 84 5.013 7.896 16.446 1.00 33.50 C ATOM 1360 O GLY A 84 4.599 8.130 17.582 1.00 64.50 O ATOM 0 H GLY A 84 6.893 6.873 14.243 1.00 24.34 H new ATOM 0 HA2 GLY A 84 6.691 6.747 17.113 1.00 33.21 H new ATOM 0 HA3 GLY A 84 7.115 8.126 16.117 1.00 33.21 H new ATOM 1364 N LYS A 85 4.295 8.132 15.353 1.00 33.33 N ATOM 1365 CA LYS A 85 2.950 8.690 15.427 1.00 51.33 C ATOM 1366 C LYS A 85 1.953 7.646 15.918 1.00 72.31 C ATOM 1367 O LYS A 85 0.810 7.968 16.242 1.00 11.14 O ATOM 1368 CB LYS A 85 2.519 9.217 14.056 1.00 12.52 C ATOM 1369 CG LYS A 85 2.440 8.141 12.988 1.00 65.14 C ATOM 1370 CD LYS A 85 1.381 8.464 11.947 1.00 4.20 C ATOM 1371 CE LYS A 85 1.686 9.769 11.228 1.00 4.42 C ATOM 1372 NZ LYS A 85 1.070 10.938 11.915 1.00 3.13 N ATOM 0 H LYS A 85 4.622 7.945 14.405 1.00 33.33 H new ATOM 0 HA LYS A 85 2.965 9.515 16.139 1.00 51.33 H new ATOM 0 HB2 LYS A 85 1.544 9.696 14.150 1.00 12.52 H new ATOM 0 HB3 LYS A 85 3.222 9.986 13.734 1.00 12.52 H new ATOM 0 HG2 LYS A 85 3.410 8.038 12.502 1.00 65.14 H new ATOM 0 HG3 LYS A 85 2.213 7.182 13.453 1.00 65.14 H new ATOM 0 HD2 LYS A 85 1.323 7.653 11.221 1.00 4.20 H new ATOM 0 HD3 LYS A 85 0.405 8.532 12.428 1.00 4.20 H new ATOM 0 HE2 LYS A 85 2.766 9.909 11.171 1.00 4.42 H new ATOM 0 HE3 LYS A 85 1.317 9.714 10.204 1.00 4.42 H new ATOM 0 HZ1 LYS A 85 0.815 11.660 11.211 1.00 3.13 H new ATOM 0 HZ2 LYS A 85 0.215 10.632 12.422 1.00 3.13 H new ATOM 0 HZ3 LYS A 85 1.749 11.340 12.592 1.00 3.13 H new ATOM 1386 N VAL A 86 2.393 6.393 15.971 1.00 25.34 N ATOM 1387 CA VAL A 86 1.540 5.301 16.426 1.00 44.03 C ATOM 1388 C VAL A 86 2.191 4.536 17.573 1.00 61.24 C ATOM 1389 O VAL A 86 1.604 3.606 18.124 1.00 74.31 O ATOM 1390 CB VAL A 86 1.227 4.320 15.281 1.00 62.43 C ATOM 1391 CG1 VAL A 86 0.276 4.955 14.278 1.00 33.32 C ATOM 1392 CG2 VAL A 86 2.511 3.870 14.599 1.00 34.21 C ATOM 0 H VAL A 86 3.336 6.109 15.704 1.00 25.34 H new ATOM 0 HA VAL A 86 0.610 5.750 16.775 1.00 44.03 H new ATOM 0 HB VAL A 86 0.739 3.441 15.702 1.00 62.43 H new ATOM 0 HG11 VAL A 86 0.067 4.247 13.476 1.00 33.32 H new ATOM 0 HG12 VAL A 86 -0.655 5.223 14.778 1.00 33.32 H new ATOM 0 HG13 VAL A 86 0.734 5.851 13.860 1.00 33.32 H new ATOM 0 HG21 VAL A 86 2.271 3.177 13.792 1.00 34.21 H new ATOM 0 HG22 VAL A 86 3.029 4.737 14.190 1.00 34.21 H new ATOM 0 HG23 VAL A 86 3.154 3.373 15.325 1.00 34.21 H new ATOM 1402 N ALA A 87 3.408 4.934 17.927 1.00 3.42 N ATOM 1403 CA ALA A 87 4.138 4.288 19.010 1.00 25.15 C ATOM 1404 C ALA A 87 3.505 4.600 20.362 1.00 4.12 C ATOM 1405 O ALA A 87 3.121 3.695 21.102 1.00 75.03 O ATOM 1406 CB ALA A 87 5.597 4.721 18.996 1.00 60.11 C ATOM 0 H ALA A 87 3.909 5.701 17.479 1.00 3.42 H new ATOM 0 HA ALA A 87 4.089 3.210 18.855 1.00 25.15 H new ATOM 0 HB1 ALA A 87 6.130 4.231 19.811 1.00 60.11 H new ATOM 0 HB2 ALA A 87 6.050 4.441 18.045 1.00 60.11 H new ATOM 0 HB3 ALA A 87 5.657 5.802 19.122 1.00 60.11 H new ATOM 1412 N ALA A 88 3.401 5.887 20.679 1.00 65.33 N ATOM 1413 CA ALA A 88 2.814 6.318 21.941 1.00 31.20 C ATOM 1414 C ALA A 88 1.422 5.724 22.130 1.00 51.44 C ATOM 1415 O ALA A 88 0.991 5.477 23.255 1.00 15.22 O ATOM 1416 CB ALA A 88 2.755 7.837 22.004 1.00 22.23 C ATOM 0 H ALA A 88 3.716 6.649 20.078 1.00 65.33 H new ATOM 0 HA ALA A 88 3.448 5.956 22.751 1.00 31.20 H new ATOM 0 HB1 ALA A 88 2.314 8.145 22.952 1.00 22.23 H new ATOM 0 HB2 ALA A 88 3.763 8.244 21.923 1.00 22.23 H new ATOM 0 HB3 ALA A 88 2.145 8.212 21.182 1.00 22.23 H new ATOM 1422 N GLU A 89 0.724 5.499 21.021 1.00 43.14 N ATOM 1423 CA GLU A 89 -0.620 4.936 21.066 1.00 60.03 C ATOM 1424 C GLU A 89 -0.573 3.437 21.348 1.00 2.14 C ATOM 1425 O GLU A 89 -1.174 2.956 22.309 1.00 25.12 O ATOM 1426 CB GLU A 89 -1.350 5.195 19.746 1.00 62.51 C ATOM 1427 CG GLU A 89 -2.863 5.220 19.882 1.00 61.41 C ATOM 1428 CD GLU A 89 -3.382 6.557 20.373 1.00 74.02 C ATOM 1429 OE1 GLU A 89 -2.586 7.326 20.950 1.00 1.34 O ATOM 1430 OE2 GLU A 89 -4.585 6.834 20.180 1.00 45.21 O ATOM 0 H GLU A 89 1.067 5.698 20.081 1.00 43.14 H new ATOM 0 HA GLU A 89 -1.163 5.424 21.875 1.00 60.03 H new ATOM 0 HB2 GLU A 89 -1.015 6.148 19.336 1.00 62.51 H new ATOM 0 HB3 GLU A 89 -1.071 4.423 19.029 1.00 62.51 H new ATOM 0 HG2 GLU A 89 -3.315 4.991 18.917 1.00 61.41 H new ATOM 0 HG3 GLU A 89 -3.175 4.437 20.573 1.00 61.41 H new ATOM 1437 N VAL A 90 0.145 2.704 20.504 1.00 63.14 N ATOM 1438 CA VAL A 90 0.272 1.260 20.662 1.00 42.04 C ATOM 1439 C VAL A 90 0.878 0.906 22.015 1.00 14.54 C ATOM 1440 O VAL A 90 0.311 0.119 22.775 1.00 51.42 O ATOM 1441 CB VAL A 90 1.141 0.648 19.547 1.00 23.42 C ATOM 1442 CG1 VAL A 90 1.322 -0.846 19.771 1.00 62.02 C ATOM 1443 CG2 VAL A 90 0.527 0.920 18.183 1.00 40.25 C ATOM 0 H VAL A 90 0.648 3.086 19.703 1.00 63.14 H new ATOM 0 HA VAL A 90 -0.734 0.845 20.598 1.00 42.04 H new ATOM 0 HB VAL A 90 2.124 1.118 19.577 1.00 23.42 H new ATOM 0 HG11 VAL A 90 1.938 -1.261 18.974 1.00 62.02 H new ATOM 0 HG12 VAL A 90 1.810 -1.013 20.731 1.00 62.02 H new ATOM 0 HG13 VAL A 90 0.348 -1.335 19.769 1.00 62.02 H new ATOM 0 HG21 VAL A 90 1.154 0.480 17.407 1.00 40.25 H new ATOM 0 HG22 VAL A 90 -0.469 0.479 18.138 1.00 40.25 H new ATOM 0 HG23 VAL A 90 0.455 1.996 18.025 1.00 40.25 H new ATOM 1453 N LEU A 91 2.032 1.493 22.312 1.00 12.23 N ATOM 1454 CA LEU A 91 2.715 1.241 23.576 1.00 4.02 C ATOM 1455 C LEU A 91 1.769 1.438 24.756 1.00 72.30 C ATOM 1456 O LEU A 91 1.857 0.732 25.760 1.00 53.21 O ATOM 1457 CB LEU A 91 3.925 2.167 23.718 1.00 32.21 C ATOM 1458 CG LEU A 91 5.235 1.655 23.119 1.00 4.50 C ATOM 1459 CD1 LEU A 91 5.139 1.590 21.603 1.00 64.23 C ATOM 1460 CD2 LEU A 91 6.397 2.541 23.544 1.00 44.42 C ATOM 0 H LEU A 91 2.514 2.147 21.695 1.00 12.23 H new ATOM 0 HA LEU A 91 3.055 0.205 23.576 1.00 4.02 H new ATOM 0 HB2 LEU A 91 3.684 3.122 23.251 1.00 32.21 H new ATOM 0 HB3 LEU A 91 4.085 2.363 24.778 1.00 32.21 H new ATOM 0 HG LEU A 91 5.415 0.648 23.495 1.00 4.50 H new ATOM 0 HD11 LEU A 91 6.081 1.223 21.194 1.00 64.23 H new ATOM 0 HD12 LEU A 91 4.332 0.915 21.318 1.00 64.23 H new ATOM 0 HD13 LEU A 91 4.935 2.585 21.208 1.00 64.23 H new ATOM 0 HD21 LEU A 91 7.322 2.162 23.109 1.00 44.42 H new ATOM 0 HD22 LEU A 91 6.224 3.560 23.197 1.00 44.42 H new ATOM 0 HD23 LEU A 91 6.479 2.537 24.631 1.00 44.42 H new ATOM 1472 N GLY A 92 0.862 2.401 24.626 1.00 15.12 N ATOM 1473 CA GLY A 92 -0.090 2.672 25.688 1.00 60.01 C ATOM 1474 C GLY A 92 -1.235 1.679 25.707 1.00 15.40 C ATOM 1475 O GLY A 92 -1.810 1.404 26.761 1.00 43.43 O ATOM 0 H GLY A 92 0.769 2.998 23.805 1.00 15.12 H new ATOM 0 HA2 GLY A 92 0.425 2.647 26.648 1.00 60.01 H new ATOM 0 HA3 GLY A 92 -0.489 3.679 25.566 1.00 60.01 H new ATOM 1479 N ARG A 93 -1.570 1.142 24.539 1.00 60.34 N ATOM 1480 CA ARG A 93 -2.657 0.176 24.425 1.00 44.41 C ATOM 1481 C ARG A 93 -2.193 -1.216 24.845 1.00 54.42 C ATOM 1482 O ARG A 93 -2.965 -1.994 25.405 1.00 33.50 O ATOM 1483 CB ARG A 93 -3.185 0.138 22.990 1.00 54.31 C ATOM 1484 CG ARG A 93 -4.306 1.131 22.727 1.00 31.23 C ATOM 1485 CD ARG A 93 -5.630 0.637 23.289 1.00 53.32 C ATOM 1486 NE ARG A 93 -6.763 1.399 22.770 1.00 41.25 N ATOM 1487 CZ ARG A 93 -8.014 1.232 23.185 1.00 64.32 C ATOM 1488 NH1 ARG A 93 -8.290 0.334 24.121 1.00 53.23 N ATOM 1489 NH2 ARG A 93 -8.990 1.963 22.664 1.00 14.31 N ATOM 0 H ARG A 93 -1.105 1.359 23.658 1.00 60.34 H new ATOM 0 HA ARG A 93 -3.460 0.489 25.092 1.00 44.41 H new ATOM 0 HB2 ARG A 93 -2.363 0.341 22.304 1.00 54.31 H new ATOM 0 HB3 ARG A 93 -3.543 -0.868 22.770 1.00 54.31 H new ATOM 0 HG2 ARG A 93 -4.055 2.092 23.175 1.00 31.23 H new ATOM 0 HG3 ARG A 93 -4.404 1.296 21.654 1.00 31.23 H new ATOM 0 HD2 ARG A 93 -5.758 -0.417 23.042 1.00 53.32 H new ATOM 0 HD3 ARG A 93 -5.612 0.709 24.376 1.00 53.32 H new ATOM 0 HE ARG A 93 -6.584 2.098 22.049 1.00 41.25 H new ATOM 0 HH11 ARG A 93 -7.541 -0.230 24.523 1.00 53.23 H new ATOM 0 HH12 ARG A 93 -9.251 0.207 24.438 1.00 53.23 H new ATOM 0 HH21 ARG A 93 -8.781 2.654 21.944 1.00 14.31 H new ATOM 0 HH22 ARG A 93 -9.950 1.834 22.983 1.00 14.31 H new ATOM 1503 N ILE A 94 -0.930 -1.521 24.570 1.00 42.12 N ATOM 1504 CA ILE A 94 -0.364 -2.818 24.920 1.00 74.15 C ATOM 1505 C ILE A 94 0.098 -2.843 26.372 1.00 0.44 C ATOM 1506 O ILE A 94 0.069 -3.884 27.026 1.00 63.41 O ATOM 1507 CB ILE A 94 0.824 -3.178 24.008 1.00 33.52 C ATOM 1508 CG1 ILE A 94 1.994 -2.226 24.259 1.00 4.31 C ATOM 1509 CG2 ILE A 94 0.403 -3.136 22.547 1.00 55.50 C ATOM 1510 CD1 ILE A 94 3.208 -2.523 23.407 1.00 4.30 C ATOM 0 H ILE A 94 -0.279 -0.888 24.106 1.00 42.12 H new ATOM 0 HA ILE A 94 -1.155 -3.555 24.781 1.00 74.15 H new ATOM 0 HB ILE A 94 1.148 -4.192 24.242 1.00 33.52 H new ATOM 0 HG12 ILE A 94 1.667 -1.204 24.068 1.00 4.31 H new ATOM 0 HG13 ILE A 94 2.276 -2.279 25.310 1.00 4.31 H new ATOM 0 HG21 ILE A 94 1.254 -3.393 21.916 1.00 55.50 H new ATOM 0 HG22 ILE A 94 -0.402 -3.851 22.380 1.00 55.50 H new ATOM 0 HG23 ILE A 94 0.055 -2.134 22.297 1.00 55.50 H new ATOM 0 HD11 ILE A 94 3.998 -1.809 23.638 1.00 4.30 H new ATOM 0 HD12 ILE A 94 3.560 -3.533 23.615 1.00 4.30 H new ATOM 0 HD13 ILE A 94 2.942 -2.441 22.353 1.00 4.30 H new ATOM 1522 N ASN A 95 0.523 -1.686 26.872 1.00 35.51 N ATOM 1523 CA ASN A 95 0.990 -1.575 28.249 1.00 1.40 C ATOM 1524 C ASN A 95 -0.155 -1.798 29.232 1.00 1.12 C ATOM 1525 O ASN A 95 0.029 -2.405 30.286 1.00 25.53 O ATOM 1526 CB ASN A 95 1.620 -0.200 28.486 1.00 72.43 C ATOM 1527 CG ASN A 95 1.805 0.105 29.960 1.00 72.34 C ATOM 1528 OD1 ASN A 95 2.857 -0.172 30.535 1.00 64.31 O ATOM 1529 ND2 ASN A 95 0.779 0.678 30.578 1.00 21.03 N ATOM 0 H ASN A 95 0.553 -0.814 26.344 1.00 35.51 H new ATOM 0 HA ASN A 95 1.742 -2.346 28.415 1.00 1.40 H new ATOM 0 HB2 ASN A 95 2.587 -0.155 27.984 1.00 72.43 H new ATOM 0 HB3 ASN A 95 0.991 0.567 28.035 1.00 72.43 H new ATOM 0 HD21 ASN A 95 0.844 0.907 31.570 1.00 21.03 H new ATOM 0 HD22 ASN A 95 -0.074 0.890 30.061 1.00 21.03 H new ATOM 1536 N GLN A 96 -1.336 -1.303 28.878 1.00 15.43 N ATOM 1537 CA GLN A 96 -2.511 -1.448 29.730 1.00 72.22 C ATOM 1538 C GLN A 96 -3.059 -2.870 29.663 1.00 11.10 C ATOM 1539 O GLN A 96 -3.511 -3.418 30.668 1.00 73.15 O ATOM 1540 CB GLN A 96 -3.595 -0.451 29.315 1.00 63.44 C ATOM 1541 CG GLN A 96 -4.011 -0.577 27.858 1.00 44.51 C ATOM 1542 CD GLN A 96 -5.090 0.415 27.472 1.00 54.10 C ATOM 1543 OE1 GLN A 96 -4.815 1.594 27.249 1.00 54.35 O ATOM 1544 NE2 GLN A 96 -6.328 -0.059 27.391 1.00 13.23 N ATOM 0 H GLN A 96 -1.505 -0.798 28.008 1.00 15.43 H new ATOM 0 HA GLN A 96 -2.212 -1.241 30.757 1.00 72.22 H new ATOM 0 HB2 GLN A 96 -4.471 -0.594 29.948 1.00 63.44 H new ATOM 0 HB3 GLN A 96 -3.234 0.562 29.495 1.00 63.44 H new ATOM 0 HG2 GLN A 96 -3.140 -0.426 27.221 1.00 44.51 H new ATOM 0 HG3 GLN A 96 -4.370 -1.589 27.673 1.00 44.51 H new ATOM 0 HE21 GLN A 96 -6.511 -1.044 27.584 1.00 13.23 H new ATOM 0 HE22 GLN A 96 -7.096 0.562 27.135 1.00 13.23 H new ATOM 1553 N GLU A 97 -3.015 -3.461 28.473 1.00 53.42 N ATOM 1554 CA GLU A 97 -3.509 -4.818 28.276 1.00 21.51 C ATOM 1555 C GLU A 97 -2.512 -5.843 28.810 1.00 45.41 C ATOM 1556 O GLU A 97 -2.887 -6.953 29.186 1.00 65.40 O ATOM 1557 CB GLU A 97 -3.777 -5.077 26.792 1.00 34.21 C ATOM 1558 CG GLU A 97 -4.920 -4.250 26.227 1.00 32.41 C ATOM 1559 CD GLU A 97 -6.260 -4.952 26.341 1.00 3.32 C ATOM 1560 OE1 GLU A 97 -6.755 -5.103 27.478 1.00 42.51 O ATOM 1561 OE2 GLU A 97 -6.813 -5.350 25.295 1.00 43.22 O ATOM 0 H GLU A 97 -2.642 -3.021 27.631 1.00 53.42 H new ATOM 0 HA GLU A 97 -4.442 -4.921 28.830 1.00 21.51 H new ATOM 0 HB2 GLU A 97 -2.871 -4.864 26.225 1.00 34.21 H new ATOM 0 HB3 GLU A 97 -4.000 -6.135 26.651 1.00 34.21 H new ATOM 0 HG2 GLU A 97 -4.968 -3.296 26.752 1.00 32.41 H new ATOM 0 HG3 GLU A 97 -4.719 -4.027 25.179 1.00 32.41 H new ATOM 1568 N PHE A 98 -1.239 -5.461 28.839 1.00 0.11 N ATOM 1569 CA PHE A 98 -0.186 -6.346 29.325 1.00 54.50 C ATOM 1570 C PHE A 98 -0.224 -6.451 30.847 1.00 71.23 C ATOM 1571 O PHE A 98 -0.534 -5.492 31.553 1.00 1.24 O ATOM 1572 CB PHE A 98 1.184 -5.839 28.871 1.00 24.14 C ATOM 1573 CG PHE A 98 1.590 -6.341 27.515 1.00 1.21 C ATOM 1574 CD1 PHE A 98 0.633 -6.684 26.574 1.00 33.10 C ATOM 1575 CD2 PHE A 98 2.929 -6.469 27.181 1.00 54.41 C ATOM 1576 CE1 PHE A 98 1.003 -7.147 25.326 1.00 45.34 C ATOM 1577 CE2 PHE A 98 3.305 -6.930 25.934 1.00 64.42 C ATOM 1578 CZ PHE A 98 2.341 -7.269 25.005 1.00 44.24 C ATOM 0 H PHE A 98 -0.912 -4.545 28.532 1.00 0.11 H new ATOM 0 HA PHE A 98 -0.356 -7.338 28.906 1.00 54.50 H new ATOM 0 HB2 PHE A 98 1.173 -4.749 28.858 1.00 24.14 H new ATOM 0 HB3 PHE A 98 1.935 -6.141 29.601 1.00 24.14 H new ATOM 0 HD1 PHE A 98 -0.415 -6.588 26.819 1.00 33.10 H new ATOM 0 HD2 PHE A 98 3.687 -6.205 27.904 1.00 54.41 H new ATOM 0 HE1 PHE A 98 0.247 -7.413 24.602 1.00 45.34 H new ATOM 0 HE2 PHE A 98 4.352 -7.025 25.686 1.00 64.42 H new ATOM 0 HZ PHE A 98 2.633 -7.629 24.029 1.00 44.24 H new ATOM 1588 N PRO A 99 0.098 -7.646 31.365 1.00 42.25 N ATOM 1589 CA PRO A 99 0.109 -7.907 32.807 1.00 12.50 C ATOM 1590 C PRO A 99 1.246 -7.182 33.519 1.00 50.43 C ATOM 1591 O PRO A 99 2.117 -6.594 32.878 1.00 43.22 O ATOM 1592 CB PRO A 99 0.305 -9.422 32.892 1.00 33.31 C ATOM 1593 CG PRO A 99 0.995 -9.787 31.623 1.00 3.23 C ATOM 1594 CD PRO A 99 0.478 -8.834 30.582 1.00 54.14 C ATOM 0 HA PRO A 99 -0.801 -7.553 33.292 1.00 12.50 H new ATOM 0 HB2 PRO A 99 0.904 -9.696 33.761 1.00 33.31 H new ATOM 0 HB3 PRO A 99 -0.649 -9.940 32.987 1.00 33.31 H new ATOM 0 HG2 PRO A 99 2.077 -9.701 31.728 1.00 3.23 H new ATOM 0 HG3 PRO A 99 0.783 -10.820 31.346 1.00 3.23 H new ATOM 0 HD2 PRO A 99 1.240 -8.599 29.839 1.00 54.14 H new ATOM 0 HD3 PRO A 99 -0.374 -9.250 30.044 1.00 54.14 H new ATOM 1602 N ARG A 100 1.232 -7.228 34.847 1.00 54.01 N ATOM 1603 CA ARG A 100 2.262 -6.575 35.645 1.00 13.33 C ATOM 1604 C ARG A 100 3.633 -7.183 35.366 1.00 21.05 C ATOM 1605 O ARG A 100 4.663 -6.547 35.592 1.00 52.13 O ATOM 1606 CB ARG A 100 1.933 -6.692 37.135 1.00 43.11 C ATOM 1607 CG ARG A 100 0.882 -5.701 37.607 1.00 40.34 C ATOM 1608 CD ARG A 100 -0.524 -6.194 37.304 1.00 52.00 C ATOM 1609 NE ARG A 100 -1.503 -5.676 38.256 1.00 2.13 N ATOM 1610 CZ ARG A 100 -2.751 -6.123 38.344 1.00 4.23 C ATOM 1611 NH1 ARG A 100 -3.169 -7.092 37.542 1.00 54.41 N ATOM 1612 NH2 ARG A 100 -3.582 -5.601 39.237 1.00 52.31 N ATOM 0 H ARG A 100 0.518 -7.711 35.393 1.00 54.01 H new ATOM 0 HA ARG A 100 2.288 -5.521 35.367 1.00 13.33 H new ATOM 0 HB2 ARG A 100 1.585 -7.704 37.343 1.00 43.11 H new ATOM 0 HB3 ARG A 100 2.845 -6.543 37.713 1.00 43.11 H new ATOM 0 HG2 ARG A 100 0.989 -5.539 38.680 1.00 40.34 H new ATOM 0 HG3 ARG A 100 1.044 -4.739 37.122 1.00 40.34 H new ATOM 0 HD2 ARG A 100 -0.804 -5.892 36.295 1.00 52.00 H new ATOM 0 HD3 ARG A 100 -0.539 -7.284 37.326 1.00 52.00 H new ATOM 0 HE ARG A 100 -1.213 -4.930 38.888 1.00 2.13 H new ATOM 0 HH11 ARG A 100 -2.532 -7.496 36.855 1.00 54.41 H new ATOM 0 HH12 ARG A 100 -4.128 -7.434 37.611 1.00 54.41 H new ATOM 0 HH21 ARG A 100 -3.263 -4.856 39.856 1.00 52.31 H new ATOM 0 HH22 ARG A 100 -4.540 -5.945 39.304 1.00 52.31 H new ATOM 1626 N ASP A 101 3.638 -8.418 34.876 1.00 41.51 N ATOM 1627 CA ASP A 101 4.882 -9.112 34.566 1.00 43.03 C ATOM 1628 C ASP A 101 5.500 -8.571 33.280 1.00 24.31 C ATOM 1629 O ASP A 101 6.687 -8.242 33.239 1.00 32.54 O ATOM 1630 CB ASP A 101 4.633 -10.615 34.434 1.00 61.24 C ATOM 1631 CG ASP A 101 4.564 -11.311 35.779 1.00 63.02 C ATOM 1632 OD1 ASP A 101 4.973 -10.697 36.787 1.00 42.24 O ATOM 1633 OD2 ASP A 101 4.101 -12.470 35.824 1.00 53.50 O ATOM 0 H ASP A 101 2.794 -8.959 34.685 1.00 41.51 H new ATOM 0 HA ASP A 101 5.580 -8.938 35.385 1.00 43.03 H new ATOM 0 HB2 ASP A 101 3.700 -10.780 33.895 1.00 61.24 H new ATOM 0 HB3 ASP A 101 5.429 -11.061 33.838 1.00 61.24 H new ATOM 1638 N LEU A 102 4.690 -8.483 32.232 1.00 55.04 N ATOM 1639 CA LEU A 102 5.157 -7.983 30.943 1.00 34.12 C ATOM 1640 C LEU A 102 5.457 -6.489 31.015 1.00 21.40 C ATOM 1641 O LEU A 102 6.288 -5.975 30.266 1.00 21.31 O ATOM 1642 CB LEU A 102 4.111 -8.253 29.860 1.00 70.02 C ATOM 1643 CG LEU A 102 3.932 -9.715 29.449 1.00 33.14 C ATOM 1644 CD1 LEU A 102 2.909 -9.834 28.330 1.00 44.33 C ATOM 1645 CD2 LEU A 102 5.263 -10.317 29.024 1.00 2.14 C ATOM 0 H LEU A 102 3.706 -8.751 32.249 1.00 55.04 H new ATOM 0 HA LEU A 102 6.078 -8.508 30.689 1.00 34.12 H new ATOM 0 HB2 LEU A 102 3.150 -7.874 30.209 1.00 70.02 H new ATOM 0 HB3 LEU A 102 4.378 -7.677 28.974 1.00 70.02 H new ATOM 0 HG LEU A 102 3.563 -10.272 30.311 1.00 33.14 H new ATOM 0 HD11 LEU A 102 2.795 -10.882 28.051 1.00 44.33 H new ATOM 0 HD12 LEU A 102 1.950 -9.443 28.670 1.00 44.33 H new ATOM 0 HD13 LEU A 102 3.247 -9.263 27.465 1.00 44.33 H new ATOM 0 HD21 LEU A 102 5.116 -11.358 28.735 1.00 2.14 H new ATOM 0 HD22 LEU A 102 5.661 -9.758 28.177 1.00 2.14 H new ATOM 0 HD23 LEU A 102 5.967 -10.267 29.855 1.00 2.14 H new ATOM 1657 N LYS A 103 4.777 -5.797 31.923 1.00 71.43 N ATOM 1658 CA LYS A 103 4.972 -4.363 32.096 1.00 4.03 C ATOM 1659 C LYS A 103 6.444 -4.039 32.336 1.00 34.52 C ATOM 1660 O LYS A 103 6.963 -3.046 31.826 1.00 31.44 O ATOM 1661 CB LYS A 103 4.129 -3.850 33.266 1.00 23.41 C ATOM 1662 CG LYS A 103 2.647 -3.748 32.949 1.00 44.11 C ATOM 1663 CD LYS A 103 2.231 -2.310 32.690 1.00 53.20 C ATOM 1664 CE LYS A 103 0.808 -2.049 33.159 1.00 13.35 C ATOM 1665 NZ LYS A 103 0.774 -1.453 34.524 1.00 44.22 N ATOM 0 H LYS A 103 4.085 -6.207 32.551 1.00 71.43 H new ATOM 0 HA LYS A 103 4.653 -3.865 31.180 1.00 4.03 H new ATOM 0 HB2 LYS A 103 4.265 -4.514 34.119 1.00 23.41 H new ATOM 0 HB3 LYS A 103 4.497 -2.868 33.565 1.00 23.41 H new ATOM 0 HG2 LYS A 103 2.418 -4.357 32.075 1.00 44.11 H new ATOM 0 HG3 LYS A 103 2.068 -4.152 33.779 1.00 44.11 H new ATOM 0 HD2 LYS A 103 2.914 -1.634 33.204 1.00 53.20 H new ATOM 0 HD3 LYS A 103 2.310 -2.093 31.625 1.00 53.20 H new ATOM 0 HE2 LYS A 103 0.312 -1.378 32.458 1.00 13.35 H new ATOM 0 HE3 LYS A 103 0.248 -2.984 33.157 1.00 13.35 H new ATOM 0 HZ1 LYS A 103 -0.213 -1.290 34.807 1.00 44.22 H new ATOM 0 HZ2 LYS A 103 1.225 -2.104 35.198 1.00 44.22 H new ATOM 0 HZ3 LYS A 103 1.287 -0.548 34.521 1.00 44.22 H new ATOM 1679 N LYS A 104 7.111 -4.885 33.114 1.00 3.43 N ATOM 1680 CA LYS A 104 8.524 -4.691 33.420 1.00 73.11 C ATOM 1681 C LYS A 104 9.379 -4.859 32.168 1.00 2.23 C ATOM 1682 O LYS A 104 10.374 -4.157 31.985 1.00 24.41 O ATOM 1683 CB LYS A 104 8.975 -5.682 34.495 1.00 35.32 C ATOM 1684 CG LYS A 104 8.551 -5.290 35.900 1.00 33.11 C ATOM 1685 CD LYS A 104 8.597 -6.477 36.848 1.00 4.42 C ATOM 1686 CE LYS A 104 10.027 -6.929 37.105 1.00 73.13 C ATOM 1687 NZ LYS A 104 10.078 -8.142 37.967 1.00 61.44 N ATOM 0 H LYS A 104 6.696 -5.712 33.544 1.00 3.43 H new ATOM 0 HA LYS A 104 8.653 -3.675 33.794 1.00 73.11 H new ATOM 0 HB2 LYS A 104 8.569 -6.666 34.263 1.00 35.32 H new ATOM 0 HB3 LYS A 104 10.061 -5.770 34.463 1.00 35.32 H new ATOM 0 HG2 LYS A 104 9.205 -4.501 36.272 1.00 33.11 H new ATOM 0 HG3 LYS A 104 7.541 -4.882 35.876 1.00 33.11 H new ATOM 0 HD2 LYS A 104 8.124 -6.208 37.792 1.00 4.42 H new ATOM 0 HD3 LYS A 104 8.023 -7.303 36.427 1.00 4.42 H new ATOM 0 HE2 LYS A 104 10.518 -7.138 36.155 1.00 73.13 H new ATOM 0 HE3 LYS A 104 10.583 -6.121 37.581 1.00 73.13 H new ATOM 0 HZ1 LYS A 104 11.069 -8.419 38.119 1.00 61.44 H new ATOM 0 HZ2 LYS A 104 9.632 -7.936 38.883 1.00 61.44 H new ATOM 0 HZ3 LYS A 104 9.569 -8.920 37.502 1.00 61.44 H new ATOM 1701 N LYS A 105 8.985 -5.792 31.308 1.00 12.52 N ATOM 1702 CA LYS A 105 9.713 -6.050 30.072 1.00 61.12 C ATOM 1703 C LYS A 105 9.533 -4.902 29.084 1.00 50.21 C ATOM 1704 O LYS A 105 10.452 -4.561 28.338 1.00 2.02 O ATOM 1705 CB LYS A 105 9.237 -7.360 29.440 1.00 62.03 C ATOM 1706 CG LYS A 105 9.438 -8.573 30.331 1.00 33.50 C ATOM 1707 CD LYS A 105 10.884 -9.038 30.323 1.00 24.14 C ATOM 1708 CE LYS A 105 11.006 -10.490 30.760 1.00 12.13 C ATOM 1709 NZ LYS A 105 12.290 -11.098 30.314 1.00 11.20 N ATOM 0 H LYS A 105 8.165 -6.382 31.445 1.00 12.52 H new ATOM 0 HA LYS A 105 10.772 -6.134 30.315 1.00 61.12 H new ATOM 0 HB2 LYS A 105 8.179 -7.272 29.194 1.00 62.03 H new ATOM 0 HB3 LYS A 105 9.770 -7.516 28.502 1.00 62.03 H new ATOM 0 HG2 LYS A 105 9.139 -8.330 31.351 1.00 33.50 H new ATOM 0 HG3 LYS A 105 8.792 -9.384 29.994 1.00 33.50 H new ATOM 0 HD2 LYS A 105 11.299 -8.922 29.322 1.00 24.14 H new ATOM 0 HD3 LYS A 105 11.474 -8.406 30.987 1.00 24.14 H new ATOM 0 HE2 LYS A 105 10.934 -10.550 31.846 1.00 12.13 H new ATOM 0 HE3 LYS A 105 10.173 -11.063 30.353 1.00 12.13 H new ATOM 0 HZ1 LYS A 105 12.334 -12.087 30.632 1.00 11.20 H new ATOM 0 HZ2 LYS A 105 12.348 -11.065 29.276 1.00 11.20 H new ATOM 0 HZ3 LYS A 105 13.086 -10.567 30.722 1.00 11.20 H new ATOM 1723 N LEU A 106 8.345 -4.308 29.084 1.00 33.05 N ATOM 1724 CA LEU A 106 8.045 -3.196 28.189 1.00 34.20 C ATOM 1725 C LEU A 106 8.625 -1.892 28.726 1.00 24.14 C ATOM 1726 O LEU A 106 9.096 -1.049 27.963 1.00 71.24 O ATOM 1727 CB LEU A 106 6.532 -3.057 28.006 1.00 43.01 C ATOM 1728 CG LEU A 106 6.060 -1.822 27.238 1.00 41.02 C ATOM 1729 CD1 LEU A 106 4.797 -2.134 26.450 1.00 0.23 C ATOM 1730 CD2 LEU A 106 5.823 -0.660 28.191 1.00 42.51 C ATOM 0 H LEU A 106 7.573 -4.578 29.694 1.00 33.05 H new ATOM 0 HA LEU A 106 8.505 -3.406 27.223 1.00 34.20 H new ATOM 0 HB2 LEU A 106 6.166 -3.944 27.489 1.00 43.01 H new ATOM 0 HB3 LEU A 106 6.066 -3.047 28.991 1.00 43.01 H new ATOM 0 HG LEU A 106 6.841 -1.535 26.534 1.00 41.02 H new ATOM 0 HD11 LEU A 106 4.476 -1.243 25.910 1.00 0.23 H new ATOM 0 HD12 LEU A 106 5.000 -2.936 25.740 1.00 0.23 H new ATOM 0 HD13 LEU A 106 4.009 -2.447 27.135 1.00 0.23 H new ATOM 0 HD21 LEU A 106 5.488 0.210 27.627 1.00 42.51 H new ATOM 0 HD22 LEU A 106 5.061 -0.936 28.919 1.00 42.51 H new ATOM 0 HD23 LEU A 106 6.751 -0.420 28.710 1.00 42.51 H new ATOM 1742 N SER A 107 8.591 -1.734 30.046 1.00 73.13 N ATOM 1743 CA SER A 107 9.112 -0.532 30.686 1.00 62.14 C ATOM 1744 C SER A 107 10.568 -0.296 30.294 1.00 53.12 C ATOM 1745 O SER A 107 10.959 0.824 29.965 1.00 65.23 O ATOM 1746 CB SER A 107 8.994 -0.646 32.207 1.00 72.23 C ATOM 1747 OG SER A 107 9.743 0.367 32.854 1.00 45.30 O ATOM 0 H SER A 107 8.208 -2.424 30.693 1.00 73.13 H new ATOM 0 HA SER A 107 8.519 0.317 30.346 1.00 62.14 H new ATOM 0 HB2 SER A 107 7.947 -0.572 32.500 1.00 72.23 H new ATOM 0 HB3 SER A 107 9.347 -1.626 32.530 1.00 72.23 H new ATOM 0 HG SER A 107 9.650 0.273 33.825 1.00 45.30 H new ATOM 1753 N ARG A 108 11.364 -1.359 30.332 1.00 61.21 N ATOM 1754 CA ARG A 108 12.777 -1.269 29.982 1.00 14.33 C ATOM 1755 C ARG A 108 12.951 -0.973 28.496 1.00 52.54 C ATOM 1756 O ARG A 108 13.824 -0.198 28.104 1.00 23.32 O ATOM 1757 CB ARG A 108 13.497 -2.569 30.342 1.00 22.31 C ATOM 1758 CG ARG A 108 12.879 -3.804 29.707 1.00 41.13 C ATOM 1759 CD ARG A 108 13.627 -5.068 30.102 1.00 14.34 C ATOM 1760 NE ARG A 108 15.071 -4.924 29.938 1.00 54.34 N ATOM 1761 CZ ARG A 108 15.675 -4.886 28.755 1.00 22.14 C ATOM 1762 NH1 ARG A 108 14.964 -4.981 27.640 1.00 3.12 N ATOM 1763 NH2 ARG A 108 16.994 -4.753 28.687 1.00 54.00 N ATOM 0 H ARG A 108 11.055 -2.293 30.602 1.00 61.21 H new ATOM 0 HA ARG A 108 13.215 -0.449 30.552 1.00 14.33 H new ATOM 0 HB2 ARG A 108 14.539 -2.495 30.032 1.00 22.31 H new ATOM 0 HB3 ARG A 108 13.494 -2.688 31.425 1.00 22.31 H new ATOM 0 HG2 ARG A 108 11.836 -3.887 30.011 1.00 41.13 H new ATOM 0 HG3 ARG A 108 12.887 -3.699 28.622 1.00 41.13 H new ATOM 0 HD2 ARG A 108 13.403 -5.312 31.140 1.00 14.34 H new ATOM 0 HD3 ARG A 108 13.275 -5.902 29.495 1.00 14.34 H new ATOM 0 HE ARG A 108 15.647 -4.849 30.777 1.00 54.34 H new ATOM 0 HH11 ARG A 108 13.950 -5.084 27.689 1.00 3.12 H new ATOM 0 HH12 ARG A 108 15.431 -4.951 26.733 1.00 3.12 H new ATOM 0 HH21 ARG A 108 17.544 -4.680 29.543 1.00 54.00 H new ATOM 0 HH22 ARG A 108 17.457 -4.724 27.779 1.00 54.00 H new ATOM 1777 N VAL A 109 12.114 -1.595 27.671 1.00 13.44 N ATOM 1778 CA VAL A 109 12.174 -1.398 26.228 1.00 5.41 C ATOM 1779 C VAL A 109 11.919 0.060 25.861 1.00 33.21 C ATOM 1780 O VAL A 109 12.587 0.619 24.991 1.00 31.22 O ATOM 1781 CB VAL A 109 11.151 -2.287 25.497 1.00 44.13 C ATOM 1782 CG1 VAL A 109 11.148 -1.982 24.006 1.00 32.34 C ATOM 1783 CG2 VAL A 109 11.449 -3.757 25.748 1.00 73.51 C ATOM 0 H VAL A 109 11.386 -2.240 27.978 1.00 13.44 H new ATOM 0 HA VAL A 109 13.179 -1.678 25.912 1.00 5.41 H new ATOM 0 HB VAL A 109 10.158 -2.069 25.890 1.00 44.13 H new ATOM 0 HG11 VAL A 109 10.419 -2.620 23.506 1.00 32.34 H new ATOM 0 HG12 VAL A 109 10.884 -0.936 23.849 1.00 32.34 H new ATOM 0 HG13 VAL A 109 12.139 -2.171 23.594 1.00 32.34 H new ATOM 0 HG21 VAL A 109 10.717 -4.371 25.224 1.00 73.51 H new ATOM 0 HG22 VAL A 109 12.448 -3.993 25.383 1.00 73.51 H new ATOM 0 HG23 VAL A 109 11.396 -3.962 26.817 1.00 73.51 H new ATOM 1793 N VAL A 110 10.947 0.671 26.531 1.00 54.14 N ATOM 1794 CA VAL A 110 10.603 2.065 26.277 1.00 53.15 C ATOM 1795 C VAL A 110 11.794 2.981 26.534 1.00 20.34 C ATOM 1796 O VAL A 110 11.989 3.974 25.836 1.00 54.42 O ATOM 1797 CB VAL A 110 9.420 2.520 27.152 1.00 3.14 C ATOM 1798 CG1 VAL A 110 9.093 3.982 26.890 1.00 52.20 C ATOM 1799 CG2 VAL A 110 8.205 1.640 26.904 1.00 15.15 C ATOM 0 H VAL A 110 10.384 0.223 27.254 1.00 54.14 H new ATOM 0 HA VAL A 110 10.316 2.134 25.228 1.00 53.15 H new ATOM 0 HB VAL A 110 9.705 2.419 28.199 1.00 3.14 H new ATOM 0 HG11 VAL A 110 8.255 4.285 27.517 1.00 52.20 H new ATOM 0 HG12 VAL A 110 9.962 4.597 27.124 1.00 52.20 H new ATOM 0 HG13 VAL A 110 8.827 4.113 25.841 1.00 52.20 H new ATOM 0 HG21 VAL A 110 7.379 1.976 27.530 1.00 15.15 H new ATOM 0 HG22 VAL A 110 7.916 1.706 25.855 1.00 15.15 H new ATOM 0 HG23 VAL A 110 8.449 0.606 27.148 1.00 15.15 H new ATOM 1809 N ASN A 111 12.589 2.638 27.543 1.00 42.31 N ATOM 1810 CA ASN A 111 13.763 3.430 27.894 1.00 73.03 C ATOM 1811 C ASN A 111 14.779 3.430 26.756 1.00 52.33 C ATOM 1812 O ASN A 111 15.458 4.429 26.517 1.00 51.32 O ATOM 1813 CB ASN A 111 14.409 2.885 29.169 1.00 33.11 C ATOM 1814 CG ASN A 111 13.806 3.485 30.425 1.00 75.44 C ATOM 1815 OD1 ASN A 111 14.297 4.486 30.946 1.00 61.14 O ATOM 1816 ND2 ASN A 111 12.735 2.873 30.917 1.00 74.23 N ATOM 0 H ASN A 111 12.442 1.818 28.131 1.00 42.31 H new ATOM 0 HA ASN A 111 13.439 4.456 28.069 1.00 73.03 H new ATOM 0 HB2 ASN A 111 14.295 1.801 29.196 1.00 33.11 H new ATOM 0 HB3 ASN A 111 15.479 3.092 29.148 1.00 33.11 H new ATOM 0 HD21 ASN A 111 12.286 3.230 31.760 1.00 74.23 H new ATOM 0 HD22 ASN A 111 12.362 2.045 30.452 1.00 74.23 H new ATOM 1823 N ILE A 112 14.877 2.304 26.057 1.00 13.31 N ATOM 1824 CA ILE A 112 15.808 2.175 24.943 1.00 2.44 C ATOM 1825 C ILE A 112 15.602 3.289 23.923 1.00 40.35 C ATOM 1826 O ILE A 112 16.547 3.984 23.545 1.00 20.44 O ATOM 1827 CB ILE A 112 15.658 0.814 24.239 1.00 42.34 C ATOM 1828 CG1 ILE A 112 15.858 -0.327 25.238 1.00 44.11 C ATOM 1829 CG2 ILE A 112 16.650 0.700 23.090 1.00 12.34 C ATOM 1830 CD1 ILE A 112 15.668 -1.700 24.633 1.00 33.21 C ATOM 0 H ILE A 112 14.323 1.468 26.243 1.00 13.31 H new ATOM 0 HA ILE A 112 16.812 2.250 25.360 1.00 2.44 H new ATOM 0 HB ILE A 112 14.650 0.742 23.832 1.00 42.34 H new ATOM 0 HG12 ILE A 112 16.862 -0.260 25.658 1.00 44.11 H new ATOM 0 HG13 ILE A 112 15.158 -0.203 26.064 1.00 44.11 H new ATOM 0 HG21 ILE A 112 16.532 -0.267 22.602 1.00 12.34 H new ATOM 0 HG22 ILE A 112 16.464 1.495 22.368 1.00 12.34 H new ATOM 0 HG23 ILE A 112 17.665 0.790 23.476 1.00 12.34 H new ATOM 0 HD11 ILE A 112 15.825 -2.460 25.399 1.00 33.21 H new ATOM 0 HD12 ILE A 112 14.656 -1.787 24.238 1.00 33.21 H new ATOM 0 HD13 ILE A 112 16.386 -1.844 23.826 1.00 33.21 H new ATOM 1842 N LEU A 113 14.361 3.456 23.480 1.00 53.11 N ATOM 1843 CA LEU A 113 14.029 4.488 22.503 1.00 32.24 C ATOM 1844 C LEU A 113 14.496 5.859 22.980 1.00 14.43 C ATOM 1845 O LEU A 113 14.866 6.715 22.177 1.00 41.43 O ATOM 1846 CB LEU A 113 12.521 4.510 22.248 1.00 33.03 C ATOM 1847 CG LEU A 113 11.966 3.362 21.404 1.00 51.55 C ATOM 1848 CD1 LEU A 113 10.473 3.196 21.644 1.00 65.21 C ATOM 1849 CD2 LEU A 113 12.247 3.603 19.927 1.00 34.23 C ATOM 0 H LEU A 113 13.568 2.890 23.782 1.00 53.11 H new ATOM 0 HA LEU A 113 14.545 4.253 21.572 1.00 32.24 H new ATOM 0 HB2 LEU A 113 12.010 4.507 23.211 1.00 33.03 H new ATOM 0 HB3 LEU A 113 12.269 5.450 21.757 1.00 33.03 H new ATOM 0 HG LEU A 113 12.466 2.441 21.704 1.00 51.55 H new ATOM 0 HD11 LEU A 113 10.096 2.375 21.035 1.00 65.21 H new ATOM 0 HD12 LEU A 113 10.296 2.978 22.697 1.00 65.21 H new ATOM 0 HD13 LEU A 113 9.956 4.116 21.372 1.00 65.21 H new ATOM 0 HD21 LEU A 113 11.845 2.777 19.341 1.00 34.23 H new ATOM 0 HD22 LEU A 113 11.774 4.534 19.614 1.00 34.23 H new ATOM 0 HD23 LEU A 113 13.323 3.671 19.768 1.00 34.23 H new ATOM 1861 N LYS A 114 14.477 6.061 24.293 1.00 2.24 N ATOM 1862 CA LYS A 114 14.902 7.327 24.879 1.00 14.15 C ATOM 1863 C LYS A 114 16.399 7.542 24.684 1.00 21.05 C ATOM 1864 O LYS A 114 16.846 8.658 24.423 1.00 54.23 O ATOM 1865 CB LYS A 114 14.561 7.362 26.371 1.00 74.01 C ATOM 1866 CG LYS A 114 13.126 6.967 26.676 1.00 0.13 C ATOM 1867 CD LYS A 114 12.163 8.111 26.405 1.00 21.15 C ATOM 1868 CE LYS A 114 10.716 7.673 26.572 1.00 62.53 C ATOM 1869 NZ LYS A 114 9.942 7.823 25.308 1.00 3.44 N ATOM 0 H LYS A 114 14.172 5.364 24.972 1.00 2.24 H new ATOM 0 HA LYS A 114 14.369 8.131 24.371 1.00 14.15 H new ATOM 0 HB2 LYS A 114 15.235 6.692 26.905 1.00 74.01 H new ATOM 0 HB3 LYS A 114 14.742 8.367 26.753 1.00 74.01 H new ATOM 0 HG2 LYS A 114 12.848 6.105 26.069 1.00 0.13 H new ATOM 0 HG3 LYS A 114 13.046 6.662 27.719 1.00 0.13 H new ATOM 0 HD2 LYS A 114 12.375 8.936 27.085 1.00 21.15 H new ATOM 0 HD3 LYS A 114 12.316 8.485 25.393 1.00 21.15 H new ATOM 0 HE2 LYS A 114 10.686 6.632 26.895 1.00 62.53 H new ATOM 0 HE3 LYS A 114 10.246 8.264 27.358 1.00 62.53 H new ATOM 0 HZ1 LYS A 114 9.015 8.245 25.517 1.00 3.44 H new ATOM 0 HZ2 LYS A 114 10.463 8.440 24.653 1.00 3.44 H new ATOM 0 HZ3 LYS A 114 9.807 6.889 24.871 1.00 3.44 H new ATOM 1883 N GLU A 115 17.169 6.465 24.813 1.00 54.55 N ATOM 1884 CA GLU A 115 18.616 6.538 24.649 1.00 32.04 C ATOM 1885 C GLU A 115 18.990 6.710 23.180 1.00 53.21 C ATOM 1886 O GLU A 115 19.747 7.613 22.823 1.00 70.21 O ATOM 1887 CB GLU A 115 19.278 5.278 25.211 1.00 4.53 C ATOM 1888 CG GLU A 115 20.677 5.033 24.670 1.00 11.42 C ATOM 1889 CD GLU A 115 21.618 6.191 24.940 1.00 2.15 C ATOM 1890 OE1 GLU A 115 21.782 6.560 26.122 1.00 23.21 O ATOM 1891 OE2 GLU A 115 22.191 6.728 23.969 1.00 1.23 O ATOM 0 H GLU A 115 16.815 5.533 25.030 1.00 54.55 H new ATOM 0 HA GLU A 115 18.975 7.407 25.201 1.00 32.04 H new ATOM 0 HB2 GLU A 115 19.326 5.357 26.297 1.00 4.53 H new ATOM 0 HB3 GLU A 115 18.652 4.416 24.981 1.00 4.53 H new ATOM 0 HG2 GLU A 115 21.083 4.127 25.120 1.00 11.42 H new ATOM 0 HG3 GLU A 115 20.621 4.858 23.596 1.00 11.42 H new ATOM 1898 N ARG A 116 18.453 5.838 22.333 1.00 65.31 N ATOM 1899 CA ARG A 116 18.732 5.891 20.903 1.00 53.42 C ATOM 1900 C ARG A 116 18.145 7.156 20.282 1.00 4.10 C ATOM 1901 O ARG A 116 18.515 7.544 19.175 1.00 54.34 O ATOM 1902 CB ARG A 116 18.161 4.656 20.204 1.00 65.21 C ATOM 1903 CG ARG A 116 18.543 3.346 20.874 1.00 3.34 C ATOM 1904 CD ARG A 116 20.052 3.200 20.993 1.00 43.33 C ATOM 1905 NE ARG A 116 20.704 3.172 19.686 1.00 54.31 N ATOM 1906 CZ ARG A 116 22.018 3.070 19.522 1.00 72.43 C ATOM 1907 NH1 ARG A 116 22.816 2.985 20.577 1.00 63.03 N ATOM 1908 NH2 ARG A 116 22.536 3.051 18.300 1.00 34.32 N ATOM 0 H ARG A 116 17.822 5.086 22.612 1.00 65.31 H new ATOM 0 HA ARG A 116 19.814 5.908 20.770 1.00 53.42 H new ATOM 0 HB2 ARG A 116 17.074 4.736 20.174 1.00 65.21 H new ATOM 0 HB3 ARG A 116 18.508 4.641 19.171 1.00 65.21 H new ATOM 0 HG2 ARG A 116 18.093 3.298 21.865 1.00 3.34 H new ATOM 0 HG3 ARG A 116 18.140 2.512 20.300 1.00 3.34 H new ATOM 0 HD2 ARG A 116 20.451 4.028 21.580 1.00 43.33 H new ATOM 0 HD3 ARG A 116 20.286 2.283 21.535 1.00 43.33 H new ATOM 0 HE ARG A 116 20.118 3.234 18.854 1.00 54.31 H new ATOM 0 HH11 ARG A 116 22.421 2.998 21.517 1.00 63.03 H new ATOM 0 HH12 ARG A 116 23.825 2.907 20.448 1.00 63.03 H new ATOM 0 HH21 ARG A 116 21.925 3.115 17.486 1.00 34.32 H new ATOM 0 HH22 ARG A 116 23.545 2.973 18.175 1.00 34.32 H new ATOM 1922 N ASN A 117 17.229 7.793 21.004 1.00 43.52 N ATOM 1923 CA ASN A 117 16.591 9.014 20.523 1.00 31.45 C ATOM 1924 C ASN A 117 15.941 8.788 19.162 1.00 72.42 C ATOM 1925 O ASN A 117 16.104 9.592 18.244 1.00 63.23 O ATOM 1926 CB ASN A 117 17.615 10.147 20.431 1.00 75.04 C ATOM 1927 CG ASN A 117 17.887 10.792 21.776 1.00 61.50 C ATOM 1928 OD1 ASN A 117 17.373 12.001 21.968 1.00 61.24 O flip ATOM 1929 ND2 ASN A 117 18.552 10.209 22.633 1.00 74.33 N flip ATOM 0 H ASN A 117 16.912 7.485 21.923 1.00 43.52 H new ATOM 0 HA ASN A 117 15.814 9.293 21.235 1.00 31.45 H new ATOM 0 HB2 ASN A 117 18.548 9.758 20.023 1.00 75.04 H new ATOM 0 HB3 ASN A 117 17.254 10.904 19.735 1.00 75.04 H new ATOM 0 HD21 ASN A 117 18.928 9.280 22.442 1.00 74.33 H new ATOM 0 HD22 ASN A 117 18.727 10.655 23.534 1.00 74.33 H new ATOM 1936 N ILE A 118 15.203 7.689 19.040 1.00 43.25 N ATOM 1937 CA ILE A 118 14.527 7.359 17.791 1.00 23.32 C ATOM 1938 C ILE A 118 13.388 8.332 17.508 1.00 2.23 C ATOM 1939 O ILE A 118 13.144 8.702 16.360 1.00 41.14 O ATOM 1940 CB ILE A 118 13.967 5.924 17.817 1.00 42.21 C ATOM 1941 CG1 ILE A 118 15.044 4.941 18.282 1.00 53.32 C ATOM 1942 CG2 ILE A 118 13.445 5.535 16.442 1.00 32.11 C ATOM 1943 CD1 ILE A 118 16.220 4.842 17.336 1.00 4.44 C ATOM 0 H ILE A 118 15.058 7.013 19.790 1.00 43.25 H new ATOM 0 HA ILE A 118 15.272 7.436 16.999 1.00 23.32 H new ATOM 0 HB ILE A 118 13.138 5.886 18.523 1.00 42.21 H new ATOM 0 HG12 ILE A 118 15.403 5.246 19.265 1.00 53.32 H new ATOM 0 HG13 ILE A 118 14.597 3.954 18.398 1.00 53.32 H new ATOM 0 HG21 ILE A 118 13.053 4.519 16.476 1.00 32.11 H new ATOM 0 HG22 ILE A 118 12.651 6.221 16.147 1.00 32.11 H new ATOM 0 HG23 ILE A 118 14.257 5.586 15.717 1.00 32.11 H new ATOM 0 HD11 ILE A 118 16.944 4.128 17.729 1.00 4.44 H new ATOM 0 HD12 ILE A 118 15.873 4.507 16.358 1.00 4.44 H new ATOM 0 HD13 ILE A 118 16.692 5.820 17.238 1.00 4.44 H new ATOM 1955 N PHE A 119 12.695 8.745 18.564 1.00 54.42 N ATOM 1956 CA PHE A 119 11.581 9.677 18.430 1.00 41.43 C ATOM 1957 C PHE A 119 11.940 11.041 19.012 1.00 44.42 C ATOM 1958 O PHE A 119 12.917 11.176 19.749 1.00 41.02 O ATOM 1959 CB PHE A 119 10.338 9.124 19.129 1.00 73.44 C ATOM 1960 CG PHE A 119 10.015 7.708 18.745 1.00 61.31 C ATOM 1961 CD1 PHE A 119 10.075 7.304 17.421 1.00 51.12 C ATOM 1962 CD2 PHE A 119 9.653 6.780 19.708 1.00 13.34 C ATOM 1963 CE1 PHE A 119 9.778 6.002 17.065 1.00 13.01 C ATOM 1964 CE2 PHE A 119 9.355 5.477 19.359 1.00 72.43 C ATOM 1965 CZ PHE A 119 9.418 5.087 18.035 1.00 24.13 C ATOM 0 H PHE A 119 12.885 8.449 19.522 1.00 54.42 H new ATOM 0 HA PHE A 119 11.368 9.799 17.368 1.00 41.43 H new ATOM 0 HB2 PHE A 119 10.485 9.175 20.208 1.00 73.44 H new ATOM 0 HB3 PHE A 119 9.485 9.760 18.893 1.00 73.44 H new ATOM 0 HD1 PHE A 119 10.357 8.015 16.658 1.00 51.12 H new ATOM 0 HD2 PHE A 119 9.603 7.079 20.745 1.00 13.34 H new ATOM 0 HE1 PHE A 119 9.827 5.700 16.029 1.00 13.01 H new ATOM 0 HE2 PHE A 119 9.073 4.764 20.120 1.00 72.43 H new ATOM 0 HZ PHE A 119 9.186 4.069 17.759 1.00 24.13 H new ATOM 1975 N SER A 120 11.144 12.051 18.675 1.00 73.54 N ATOM 1976 CA SER A 120 11.379 13.405 19.160 1.00 42.45 C ATOM 1977 C SER A 120 10.696 13.627 20.505 1.00 14.32 C ATOM 1978 O SER A 120 10.105 12.709 21.074 1.00 55.11 O ATOM 1979 CB SER A 120 10.872 14.429 18.142 1.00 2.31 C ATOM 1980 OG SER A 120 11.701 15.579 18.119 1.00 73.31 O ATOM 0 H SER A 120 10.330 11.956 18.067 1.00 73.54 H new ATOM 0 HA SER A 120 12.453 13.536 19.292 1.00 42.45 H new ATOM 0 HB2 SER A 120 10.844 13.977 17.150 1.00 2.31 H new ATOM 0 HB3 SER A 120 9.851 14.718 18.390 1.00 2.31 H new ATOM 0 HG SER A 120 11.357 16.217 17.460 1.00 73.31 H new ATOM 1986 N LYS A 121 10.781 14.854 21.010 1.00 74.42 N ATOM 1987 CA LYS A 121 10.170 15.200 22.288 1.00 62.41 C ATOM 1988 C LYS A 121 8.649 15.138 22.199 1.00 53.04 C ATOM 1989 O LYS A 121 7.982 14.685 23.128 1.00 30.24 O ATOM 1990 CB LYS A 121 10.610 16.599 22.724 1.00 31.02 C ATOM 1991 CG LYS A 121 10.696 16.767 24.231 1.00 13.33 C ATOM 1992 CD LYS A 121 11.321 18.100 24.609 1.00 62.31 C ATOM 1993 CE LYS A 121 10.872 18.555 25.989 1.00 24.20 C ATOM 1994 NZ LYS A 121 11.858 19.479 26.616 1.00 73.20 N ATOM 0 H LYS A 121 11.267 15.625 20.553 1.00 74.42 H new ATOM 0 HA LYS A 121 10.502 14.474 23.030 1.00 62.41 H new ATOM 0 HB2 LYS A 121 11.584 16.817 22.286 1.00 31.02 H new ATOM 0 HB3 LYS A 121 9.909 17.332 22.324 1.00 31.02 H new ATOM 0 HG2 LYS A 121 9.698 16.696 24.663 1.00 13.33 H new ATOM 0 HG3 LYS A 121 11.285 15.954 24.656 1.00 13.33 H new ATOM 0 HD2 LYS A 121 12.407 18.012 24.589 1.00 62.31 H new ATOM 0 HD3 LYS A 121 11.049 18.853 23.870 1.00 62.31 H new ATOM 0 HE2 LYS A 121 9.906 19.054 25.911 1.00 24.20 H new ATOM 0 HE3 LYS A 121 10.731 17.685 26.630 1.00 24.20 H new ATOM 0 HZ1 LYS A 121 11.516 19.767 27.555 1.00 73.20 H new ATOM 0 HZ2 LYS A 121 12.773 18.995 26.714 1.00 73.20 H new ATOM 0 HZ3 LYS A 121 11.974 20.321 26.017 1.00 73.20 H new ATOM 2008 N GLN A 122 8.107 15.595 21.074 1.00 5.42 N ATOM 2009 CA GLN A 122 6.664 15.591 20.865 1.00 65.14 C ATOM 2010 C GLN A 122 6.100 14.179 20.991 1.00 45.52 C ATOM 2011 O GLN A 122 4.994 13.985 21.494 1.00 22.45 O ATOM 2012 CB GLN A 122 6.326 16.167 19.489 1.00 51.03 C ATOM 2013 CG GLN A 122 4.982 16.877 19.440 1.00 64.50 C ATOM 2014 CD GLN A 122 4.983 18.181 20.212 1.00 10.02 C ATOM 2015 OE1 GLN A 122 4.558 18.233 21.367 1.00 74.44 O ATOM 2016 NE2 GLN A 122 5.462 19.245 19.578 1.00 61.42 N ATOM 0 H GLN A 122 8.645 15.972 20.294 1.00 5.42 H new ATOM 0 HA GLN A 122 6.208 16.215 21.634 1.00 65.14 H new ATOM 0 HB2 GLN A 122 7.108 16.867 19.195 1.00 51.03 H new ATOM 0 HB3 GLN A 122 6.328 15.360 18.756 1.00 51.03 H new ATOM 0 HG2 GLN A 122 4.717 17.074 18.401 1.00 64.50 H new ATOM 0 HG3 GLN A 122 4.213 16.220 19.846 1.00 64.50 H new ATOM 0 HE21 GLN A 122 5.804 19.157 18.621 1.00 61.42 H new ATOM 0 HE22 GLN A 122 5.488 20.150 20.048 1.00 61.42 H new ATOM 2025 N VAL A 123 6.868 13.197 20.530 1.00 43.24 N ATOM 2026 CA VAL A 123 6.446 11.803 20.592 1.00 54.25 C ATOM 2027 C VAL A 123 6.651 11.228 21.988 1.00 25.03 C ATOM 2028 O VAL A 123 5.750 10.612 22.557 1.00 12.21 O ATOM 2029 CB VAL A 123 7.213 10.938 19.574 1.00 52.32 C ATOM 2030 CG1 VAL A 123 6.595 9.552 19.478 1.00 24.55 C ATOM 2031 CG2 VAL A 123 7.237 11.615 18.212 1.00 63.14 C ATOM 0 H VAL A 123 7.786 13.341 20.109 1.00 43.24 H new ATOM 0 HA VAL A 123 5.384 11.783 20.347 1.00 54.25 H new ATOM 0 HB VAL A 123 8.241 10.828 19.918 1.00 52.32 H new ATOM 0 HG11 VAL A 123 7.150 8.955 18.754 1.00 24.55 H new ATOM 0 HG12 VAL A 123 6.634 9.068 20.454 1.00 24.55 H new ATOM 0 HG13 VAL A 123 5.557 9.638 19.157 1.00 24.55 H new ATOM 0 HG21 VAL A 123 7.783 10.990 17.505 1.00 63.14 H new ATOM 0 HG22 VAL A 123 6.216 11.757 17.858 1.00 63.14 H new ATOM 0 HG23 VAL A 123 7.730 12.584 18.296 1.00 63.14 H new ATOM 2041 N VAL A 124 7.845 11.433 22.537 1.00 53.21 N ATOM 2042 CA VAL A 124 8.170 10.937 23.869 1.00 75.44 C ATOM 2043 C VAL A 124 7.166 11.437 24.902 1.00 72.55 C ATOM 2044 O VAL A 124 6.610 10.654 25.671 1.00 4.14 O ATOM 2045 CB VAL A 124 9.586 11.364 24.297 1.00 61.41 C ATOM 2046 CG1 VAL A 124 9.881 10.893 25.713 1.00 72.52 C ATOM 2047 CG2 VAL A 124 10.622 10.826 23.321 1.00 51.30 C ATOM 0 H VAL A 124 8.603 11.939 22.079 1.00 53.21 H new ATOM 0 HA VAL A 124 8.126 9.849 23.821 1.00 75.44 H new ATOM 0 HB VAL A 124 9.638 12.453 24.284 1.00 61.41 H new ATOM 0 HG11 VAL A 124 10.886 11.204 25.998 1.00 72.52 H new ATOM 0 HG12 VAL A 124 9.157 11.331 26.400 1.00 72.52 H new ATOM 0 HG13 VAL A 124 9.811 9.806 25.757 1.00 72.52 H new ATOM 0 HG21 VAL A 124 11.617 11.137 23.639 1.00 51.30 H new ATOM 0 HG22 VAL A 124 10.572 9.737 23.300 1.00 51.30 H new ATOM 0 HG23 VAL A 124 10.420 11.218 22.324 1.00 51.30 H new ATOM 2057 N ASN A 125 6.938 12.746 24.912 1.00 72.15 N ATOM 2058 CA ASN A 125 6.000 13.351 25.850 1.00 3.34 C ATOM 2059 C ASN A 125 4.621 12.709 25.732 1.00 4.14 C ATOM 2060 O ASN A 125 3.866 12.654 26.703 1.00 52.31 O ATOM 2061 CB ASN A 125 5.897 14.857 25.601 1.00 50.24 C ATOM 2062 CG ASN A 125 6.895 15.650 26.423 1.00 33.52 C ATOM 2063 OD1 ASN A 125 7.177 15.310 27.572 1.00 22.13 O ATOM 2064 ND2 ASN A 125 7.433 16.712 25.837 1.00 44.23 N ATOM 0 H ASN A 125 7.390 13.408 24.281 1.00 72.15 H new ATOM 0 HA ASN A 125 6.375 13.181 26.859 1.00 3.34 H new ATOM 0 HB2 ASN A 125 6.061 15.059 24.542 1.00 50.24 H new ATOM 0 HB3 ASN A 125 4.887 15.193 25.837 1.00 50.24 H new ATOM 0 HD21 ASN A 125 8.110 17.284 26.341 1.00 44.23 H new ATOM 0 HD22 ASN A 125 7.169 16.956 24.882 1.00 44.23 H new ATOM 2071 N ASP A 126 4.301 12.224 24.538 1.00 51.41 N ATOM 2072 CA ASP A 126 3.014 11.584 24.293 1.00 52.23 C ATOM 2073 C ASP A 126 2.979 10.185 24.899 1.00 72.44 C ATOM 2074 O ASP A 126 1.996 9.795 25.529 1.00 15.34 O ATOM 2075 CB ASP A 126 2.735 11.510 22.791 1.00 52.23 C ATOM 2076 CG ASP A 126 1.849 12.643 22.310 1.00 63.12 C ATOM 2077 OD1 ASP A 126 1.845 13.710 22.959 1.00 33.35 O ATOM 2078 OD2 ASP A 126 1.161 12.463 21.283 1.00 25.14 O ATOM 0 H ASP A 126 4.915 12.262 23.724 1.00 51.41 H new ATOM 0 HA ASP A 126 2.240 12.186 24.769 1.00 52.23 H new ATOM 0 HB2 ASP A 126 3.679 11.535 22.247 1.00 52.23 H new ATOM 0 HB3 ASP A 126 2.259 10.557 22.559 1.00 52.23 H new ATOM 2083 N ILE A 127 4.057 9.433 24.702 1.00 51.20 N ATOM 2084 CA ILE A 127 4.149 8.077 25.229 1.00 11.41 C ATOM 2085 C ILE A 127 3.879 8.052 26.730 1.00 65.52 C ATOM 2086 O ILE A 127 3.294 7.101 27.248 1.00 3.54 O ATOM 2087 CB ILE A 127 5.533 7.460 24.957 1.00 45.32 C ATOM 2088 CG1 ILE A 127 5.815 7.429 23.453 1.00 4.33 C ATOM 2089 CG2 ILE A 127 5.614 6.060 25.545 1.00 21.34 C ATOM 2090 CD1 ILE A 127 7.289 7.365 23.116 1.00 74.21 C ATOM 0 H ILE A 127 4.879 9.740 24.181 1.00 51.20 H new ATOM 0 HA ILE A 127 3.390 7.486 24.716 1.00 11.41 H new ATOM 0 HB ILE A 127 6.291 8.079 25.437 1.00 45.32 H new ATOM 0 HG12 ILE A 127 5.313 6.567 23.015 1.00 4.33 H new ATOM 0 HG13 ILE A 127 5.383 8.317 22.992 1.00 4.33 H new ATOM 0 HG21 ILE A 127 6.599 5.637 25.344 1.00 21.34 H new ATOM 0 HG22 ILE A 127 5.452 6.108 26.622 1.00 21.34 H new ATOM 0 HG23 ILE A 127 4.849 5.430 25.091 1.00 21.34 H new ATOM 0 HD11 ILE A 127 7.414 7.346 22.033 1.00 74.21 H new ATOM 0 HD12 ILE A 127 7.794 8.241 23.524 1.00 74.21 H new ATOM 0 HD13 ILE A 127 7.722 6.462 23.547 1.00 74.21 H new ATOM 2102 N GLU A 128 4.309 9.103 27.421 1.00 61.31 N ATOM 2103 CA GLU A 128 4.113 9.200 28.863 1.00 51.35 C ATOM 2104 C GLU A 128 2.635 9.374 29.200 1.00 72.32 C ATOM 2105 O GLU A 128 2.108 8.707 30.090 1.00 20.54 O ATOM 2106 CB GLU A 128 4.918 10.371 29.431 1.00 32.21 C ATOM 2107 CG GLU A 128 6.410 10.268 29.167 1.00 45.54 C ATOM 2108 CD GLU A 128 7.088 9.232 30.041 1.00 23.24 C ATOM 2109 OE1 GLU A 128 6.848 8.025 29.825 1.00 15.45 O ATOM 2110 OE2 GLU A 128 7.859 9.626 30.941 1.00 14.24 O ATOM 0 H GLU A 128 4.795 9.898 27.006 1.00 61.31 H new ATOM 0 HA GLU A 128 4.465 8.273 29.316 1.00 51.35 H new ATOM 0 HB2 GLU A 128 4.545 11.300 29.001 1.00 32.21 H new ATOM 0 HB3 GLU A 128 4.751 10.428 30.507 1.00 32.21 H new ATOM 0 HG2 GLU A 128 6.573 10.016 28.119 1.00 45.54 H new ATOM 0 HG3 GLU A 128 6.873 11.240 29.337 1.00 45.54 H new ATOM 2117 N ARG A 129 1.972 10.275 28.482 1.00 31.32 N ATOM 2118 CA ARG A 129 0.555 10.538 28.706 1.00 65.21 C ATOM 2119 C ARG A 129 -0.275 9.279 28.473 1.00 23.22 C ATOM 2120 O ARG A 129 -1.194 8.979 29.236 1.00 45.44 O ATOM 2121 CB ARG A 129 0.071 11.659 27.784 1.00 22.51 C ATOM 2122 CG ARG A 129 0.857 12.951 27.932 1.00 63.02 C ATOM 2123 CD ARG A 129 -0.033 14.169 27.744 1.00 52.21 C ATOM 2124 NE ARG A 129 0.735 15.411 27.725 1.00 41.11 N ATOM 2125 CZ ARG A 129 0.214 16.593 27.416 1.00 53.20 C ATOM 2126 NH1 ARG A 129 -1.071 16.693 27.102 1.00 4.42 N ATOM 2127 NH2 ARG A 129 0.977 17.678 27.421 1.00 44.31 N ATOM 0 H ARG A 129 2.393 10.835 27.741 1.00 31.32 H new ATOM 0 HA ARG A 129 0.428 10.849 29.743 1.00 65.21 H new ATOM 0 HB2 ARG A 129 0.136 11.321 26.750 1.00 22.51 H new ATOM 0 HB3 ARG A 129 -0.981 11.858 27.989 1.00 22.51 H new ATOM 0 HG2 ARG A 129 1.320 12.986 28.918 1.00 63.02 H new ATOM 0 HG3 ARG A 129 1.665 12.973 27.200 1.00 63.02 H new ATOM 0 HD2 ARG A 129 -0.588 14.072 26.811 1.00 52.21 H new ATOM 0 HD3 ARG A 129 -0.767 14.209 28.549 1.00 52.21 H new ATOM 0 HE ARG A 129 1.726 15.368 27.962 1.00 41.11 H new ATOM 0 HH11 ARG A 129 -1.661 15.861 27.098 1.00 4.42 H new ATOM 0 HH12 ARG A 129 -1.469 17.602 26.865 1.00 4.42 H new ATOM 0 HH21 ARG A 129 1.965 17.605 27.662 1.00 44.31 H new ATOM 0 HH22 ARG A 129 0.575 18.585 27.183 1.00 44.31 H new ATOM 2141 N SER A 130 0.055 8.546 27.415 1.00 62.14 N ATOM 2142 CA SER A 130 -0.662 7.322 27.079 1.00 74.34 C ATOM 2143 C SER A 130 -0.736 6.387 28.283 1.00 50.45 C ATOM 2144 O SER A 130 -1.813 5.922 28.657 1.00 32.20 O ATOM 2145 CB SER A 130 0.019 6.611 25.908 1.00 62.21 C ATOM 2146 OG SER A 130 -0.921 5.885 25.135 1.00 22.31 O ATOM 0 H SER A 130 0.815 8.779 26.775 1.00 62.14 H new ATOM 0 HA SER A 130 -1.677 7.594 26.789 1.00 74.34 H new ATOM 0 HB2 SER A 130 0.524 7.343 25.278 1.00 62.21 H new ATOM 0 HB3 SER A 130 0.785 5.933 26.286 1.00 62.21 H new ATOM 0 HG SER A 130 -0.486 5.547 24.324 1.00 22.31 H new ATOM 2152 N LEU A 131 0.417 6.117 28.885 1.00 53.31 N ATOM 2153 CA LEU A 131 0.485 5.238 30.047 1.00 1.53 C ATOM 2154 C LEU A 131 -0.103 5.919 31.280 1.00 64.34 C ATOM 2155 O LEU A 131 -0.589 5.255 32.195 1.00 62.14 O ATOM 2156 CB LEU A 131 1.934 4.830 30.318 1.00 2.43 C ATOM 2157 CG LEU A 131 2.741 4.373 29.103 1.00 42.13 C ATOM 2158 CD1 LEU A 131 4.224 4.321 29.435 1.00 22.25 C ATOM 2159 CD2 LEU A 131 2.253 3.016 28.619 1.00 62.55 C ATOM 0 H LEU A 131 1.317 6.494 28.588 1.00 53.31 H new ATOM 0 HA LEU A 131 -0.103 4.346 29.832 1.00 1.53 H new ATOM 0 HB2 LEU A 131 2.449 5.675 30.774 1.00 2.43 H new ATOM 0 HB3 LEU A 131 1.932 4.024 31.052 1.00 2.43 H new ATOM 0 HG LEU A 131 2.595 5.097 28.301 1.00 42.13 H new ATOM 0 HD11 LEU A 131 4.782 3.994 28.558 1.00 22.25 H new ATOM 0 HD12 LEU A 131 4.565 5.312 29.733 1.00 22.25 H new ATOM 0 HD13 LEU A 131 4.389 3.620 30.253 1.00 22.25 H new ATOM 0 HD21 LEU A 131 2.839 2.706 27.753 1.00 62.55 H new ATOM 0 HD22 LEU A 131 2.368 2.282 29.417 1.00 62.55 H new ATOM 0 HD23 LEU A 131 1.202 3.086 28.340 1.00 62.55 H new