USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 110 SER OG : rot 58:sc= 1.03 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0.0434 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= 0.242 F(o=-12,f=-11) USER MOD Set 2.2: A 98 HIS : no HE2:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.303 (180deg=-1.49!) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0452 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= -4.43! (180deg=-6.48!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -4.24! (180deg=-4.38!) USER MOD Single : A 15 LYS NZ :NH3+ 138:sc= 0.0348 (180deg=0) USER MOD Single : A 18 SER OG : rot -21:sc= 0.604 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot -111:sc= 1.47 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 80:sc= -1.77! USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00438) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -70:sc= -0.688 USER MOD Single : A 56 THR OG1 : rot 112:sc= 0.126 USER MOD Single : A 59 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.166 (180deg=-0.881) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 91 MET CE :methyl -159:sc= -0.117 (180deg=-0.991) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -31:sc= 0.255 USER MOD Single : A 96 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.68) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 74:sc= -3.4! USER MOD Single : A 108 THR OG1 : rot 0:sc= 0.224 USER MOD Single : A 109 TYR OH : rot 28:sc= -0.701 USER MOD Single : A 113 ASN : amide:sc= 1.86 K(o=1.9,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.785 -0.412 0.721 1.00 10.12 N ATOM 2 CA MET A 1 1.471 0.080 -0.609 1.00 41.34 C ATOM 3 C MET A 1 2.653 -0.118 -1.560 1.00 44.42 C ATOM 4 O MET A 1 3.807 -0.110 -1.132 1.00 74.14 O ATOM 5 CB MET A 1 1.120 1.567 -0.534 1.00 53.51 C ATOM 6 CG MET A 1 -0.356 1.765 -0.183 1.00 34.11 C ATOM 7 SD MET A 1 -1.386 1.165 -1.512 1.00 44.23 S ATOM 8 CE MET A 1 -0.847 2.241 -2.831 1.00 1.01 C ATOM 0 H1 MET A 1 1.369 0.222 1.433 1.00 10.12 H new ATOM 0 H2 MET A 1 1.394 -1.368 0.839 1.00 10.12 H new ATOM 0 H3 MET A 1 2.817 -0.443 0.845 1.00 10.12 H new ATOM 0 HA MET A 1 0.621 -0.484 -0.993 1.00 41.34 H new ATOM 0 HB2 MET A 1 1.744 2.054 0.215 1.00 53.51 H new ATOM 0 HB3 MET A 1 1.337 2.044 -1.490 1.00 53.51 H new ATOM 0 HG2 MET A 1 -0.593 1.235 0.739 1.00 34.11 H new ATOM 0 HG3 MET A 1 -0.557 2.821 -0.004 1.00 34.11 H new ATOM 0 HE1 MET A 1 -1.696 2.488 -3.469 1.00 1.01 H new ATOM 0 HE2 MET A 1 -0.433 3.156 -2.408 1.00 1.01 H new ATOM 0 HE3 MET A 1 -0.083 1.737 -3.423 1.00 1.01 H new ATOM 18 N LYS A 2 2.326 -0.290 -2.832 1.00 41.04 N ATOM 19 CA LYS A 2 3.347 -0.489 -3.847 1.00 75.54 C ATOM 20 C LYS A 2 4.115 0.817 -4.055 1.00 63.13 C ATOM 21 O LYS A 2 3.851 1.811 -3.380 1.00 62.24 O ATOM 22 CB LYS A 2 2.725 -1.048 -5.129 1.00 64.22 C ATOM 23 CG LYS A 2 2.478 -2.553 -5.008 1.00 20.22 C ATOM 24 CD LYS A 2 2.313 -3.195 -6.387 1.00 2.30 C ATOM 25 CE LYS A 2 1.059 -2.671 -7.089 1.00 50.41 C ATOM 26 NZ LYS A 2 -0.134 -3.431 -6.654 1.00 53.51 N ATOM 0 H LYS A 2 1.368 -0.296 -3.183 1.00 41.04 H new ATOM 0 HA LYS A 2 4.071 -1.235 -3.519 1.00 75.54 H new ATOM 0 HB2 LYS A 2 1.784 -0.537 -5.334 1.00 64.22 H new ATOM 0 HB3 LYS A 2 3.385 -0.851 -5.974 1.00 64.22 H new ATOM 0 HG2 LYS A 2 3.311 -3.021 -4.483 1.00 20.22 H new ATOM 0 HG3 LYS A 2 1.584 -2.731 -4.411 1.00 20.22 H new ATOM 0 HD2 LYS A 2 3.191 -2.984 -6.998 1.00 2.30 H new ATOM 0 HD3 LYS A 2 2.250 -4.278 -6.283 1.00 2.30 H new ATOM 0 HE2 LYS A 2 0.925 -1.613 -6.865 1.00 50.41 H new ATOM 0 HE3 LYS A 2 1.178 -2.756 -8.169 1.00 50.41 H new ATOM 0 HZ1 LYS A 2 -0.976 -3.063 -7.140 1.00 53.51 H new ATOM 0 HZ2 LYS A 2 -0.010 -4.436 -6.890 1.00 53.51 H new ATOM 0 HZ3 LYS A 2 -0.255 -3.329 -5.626 1.00 53.51 H new ATOM 39 N SER A 3 5.051 0.773 -4.992 1.00 61.11 N ATOM 40 CA SER A 3 5.860 1.941 -5.297 1.00 70.23 C ATOM 41 C SER A 3 5.003 3.006 -5.985 1.00 20.33 C ATOM 42 O SER A 3 4.268 2.705 -6.924 1.00 43.03 O ATOM 43 CB SER A 3 7.053 1.569 -6.180 1.00 23.14 C ATOM 44 OG SER A 3 8.101 0.958 -5.431 1.00 40.50 O ATOM 0 H SER A 3 5.267 -0.053 -5.550 1.00 61.11 H new ATOM 0 HA SER A 3 6.246 2.343 -4.361 1.00 70.23 H new ATOM 0 HB2 SER A 3 6.724 0.889 -6.966 1.00 23.14 H new ATOM 0 HB3 SER A 3 7.433 2.464 -6.672 1.00 23.14 H new ATOM 0 HG SER A 3 8.843 0.734 -6.030 1.00 40.50 H new ATOM 50 N THR A 4 5.126 4.228 -5.490 1.00 12.54 N ATOM 51 CA THR A 4 4.372 5.340 -6.044 1.00 74.33 C ATOM 52 C THR A 4 5.129 5.966 -7.217 1.00 23.03 C ATOM 53 O THR A 4 4.542 6.674 -8.033 1.00 12.42 O ATOM 54 CB THR A 4 4.082 6.327 -4.912 1.00 34.53 C ATOM 55 OG1 THR A 4 5.373 6.732 -4.466 1.00 14.24 O ATOM 56 CG2 THR A 4 3.461 5.648 -3.689 1.00 11.23 C ATOM 0 H THR A 4 5.737 4.473 -4.711 1.00 12.54 H new ATOM 0 HA THR A 4 3.419 5.006 -6.454 1.00 74.33 H new ATOM 0 HB THR A 4 3.412 7.108 -5.273 1.00 34.53 H new ATOM 0 HG1 THR A 4 5.279 7.375 -3.732 1.00 14.24 H new ATOM 0 HG21 THR A 4 3.275 6.392 -2.915 1.00 11.23 H new ATOM 0 HG22 THR A 4 2.520 5.177 -3.973 1.00 11.23 H new ATOM 0 HG23 THR A 4 4.145 4.890 -3.307 1.00 11.23 H new ATOM 64 N PHE A 5 6.423 5.682 -7.263 1.00 74.01 N ATOM 65 CA PHE A 5 7.267 6.209 -8.322 1.00 71.50 C ATOM 66 C PHE A 5 7.012 5.477 -9.642 1.00 12.15 C ATOM 67 O PHE A 5 6.919 6.105 -10.695 1.00 74.33 O ATOM 68 CB PHE A 5 8.717 5.975 -7.895 1.00 64.03 C ATOM 69 CG PHE A 5 9.696 7.030 -8.415 1.00 24.12 C ATOM 70 CD1 PHE A 5 9.410 7.723 -9.549 1.00 41.31 C ATOM 71 CD2 PHE A 5 10.853 7.274 -7.742 1.00 50.11 C ATOM 72 CE1 PHE A 5 10.319 8.702 -10.031 1.00 54.41 C ATOM 73 CE2 PHE A 5 11.761 8.253 -8.224 1.00 45.12 C ATOM 74 CZ PHE A 5 11.475 8.947 -9.358 1.00 61.34 C ATOM 0 H PHE A 5 6.907 5.094 -6.584 1.00 74.01 H new ATOM 0 HA PHE A 5 7.054 7.267 -8.477 1.00 71.50 H new ATOM 0 HB2 PHE A 5 8.766 5.954 -6.806 1.00 64.03 H new ATOM 0 HB3 PHE A 5 9.035 4.994 -8.247 1.00 64.03 H new ATOM 0 HD1 PHE A 5 8.492 7.529 -10.083 1.00 41.31 H new ATOM 0 HD2 PHE A 5 11.081 6.723 -6.841 1.00 50.11 H new ATOM 0 HE1 PHE A 5 10.092 9.252 -10.932 1.00 54.41 H new ATOM 0 HE2 PHE A 5 12.679 8.447 -7.690 1.00 45.12 H new ATOM 0 HZ PHE A 5 12.166 9.692 -9.724 1.00 61.34 H new ATOM 84 N LYS A 6 6.906 4.160 -9.540 1.00 42.34 N ATOM 85 CA LYS A 6 6.664 3.337 -10.713 1.00 32.22 C ATOM 86 C LYS A 6 5.165 3.321 -11.018 1.00 74.41 C ATOM 87 O LYS A 6 4.759 3.010 -12.137 1.00 33.21 O ATOM 88 CB LYS A 6 7.268 1.944 -10.523 1.00 71.14 C ATOM 89 CG LYS A 6 6.548 1.181 -9.410 1.00 32.22 C ATOM 90 CD LYS A 6 5.386 0.359 -9.971 1.00 54.11 C ATOM 91 CE LYS A 6 5.160 -0.908 -9.143 1.00 51.25 C ATOM 92 NZ LYS A 6 4.995 -0.569 -7.712 1.00 63.31 N ATOM 0 H LYS A 6 6.983 3.643 -8.664 1.00 42.34 H new ATOM 0 HA LYS A 6 7.163 3.759 -11.585 1.00 32.22 H new ATOM 0 HB2 LYS A 6 7.200 1.384 -11.456 1.00 71.14 H new ATOM 0 HB3 LYS A 6 8.327 2.033 -10.281 1.00 71.14 H new ATOM 0 HG2 LYS A 6 7.252 0.522 -8.902 1.00 32.22 H new ATOM 0 HG3 LYS A 6 6.175 1.884 -8.665 1.00 32.22 H new ATOM 0 HD2 LYS A 6 4.478 0.962 -9.975 1.00 54.11 H new ATOM 0 HD3 LYS A 6 5.594 0.089 -11.006 1.00 54.11 H new ATOM 0 HE2 LYS A 6 4.275 -1.432 -9.503 1.00 51.25 H new ATOM 0 HE3 LYS A 6 6.004 -1.586 -9.267 1.00 51.25 H new ATOM 0 HZ1 LYS A 6 4.224 -1.138 -7.307 1.00 63.31 H new ATOM 0 HZ2 LYS A 6 5.879 -0.771 -7.203 1.00 63.31 H new ATOM 0 HZ3 LYS A 6 4.765 0.441 -7.619 1.00 63.31 H new ATOM 105 N SER A 7 4.383 3.659 -10.004 1.00 11.35 N ATOM 106 CA SER A 7 2.937 3.688 -10.149 1.00 64.44 C ATOM 107 C SER A 7 2.472 5.109 -10.472 1.00 72.22 C ATOM 108 O SER A 7 1.989 5.373 -11.572 1.00 61.03 O ATOM 109 CB SER A 7 2.246 3.177 -8.884 1.00 1.24 C ATOM 110 OG SER A 7 0.864 2.909 -9.102 1.00 34.24 O ATOM 0 H SER A 7 4.723 3.916 -9.077 1.00 11.35 H new ATOM 0 HA SER A 7 2.662 3.027 -10.971 1.00 64.44 H new ATOM 0 HB2 SER A 7 2.742 2.269 -8.542 1.00 1.24 H new ATOM 0 HB3 SER A 7 2.351 3.916 -8.090 1.00 1.24 H new ATOM 0 HG SER A 7 0.459 2.583 -8.271 1.00 34.24 H new ATOM 116 N GLU A 8 2.633 5.987 -9.493 1.00 62.31 N ATOM 117 CA GLU A 8 2.235 7.374 -9.659 1.00 44.41 C ATOM 118 C GLU A 8 3.009 8.014 -10.814 1.00 20.11 C ATOM 119 O GLU A 8 2.420 8.665 -11.675 1.00 72.12 O ATOM 120 CB GLU A 8 2.436 8.161 -8.362 1.00 42.24 C ATOM 121 CG GLU A 8 1.420 9.299 -8.249 1.00 12.15 C ATOM 122 CD GLU A 8 1.710 10.173 -7.026 1.00 74.24 C ATOM 123 OE1 GLU A 8 2.372 11.214 -7.151 1.00 62.54 O ATOM 124 OE2 GLU A 8 1.219 9.737 -5.916 1.00 15.21 O ATOM 0 H GLU A 8 3.034 5.764 -8.582 1.00 62.31 H new ATOM 0 HA GLU A 8 1.172 7.400 -9.901 1.00 44.41 H new ATOM 0 HB2 GLU A 8 2.335 7.492 -7.507 1.00 42.24 H new ATOM 0 HB3 GLU A 8 3.447 8.567 -8.332 1.00 42.24 H new ATOM 0 HG2 GLU A 8 1.450 9.909 -9.152 1.00 12.15 H new ATOM 0 HG3 GLU A 8 0.414 8.887 -8.176 1.00 12.15 H new ATOM 132 N TYR A 9 4.317 7.806 -10.794 1.00 64.04 N ATOM 133 CA TYR A 9 5.178 8.354 -11.829 1.00 52.11 C ATOM 134 C TYR A 9 5.585 7.273 -12.833 1.00 10.51 C ATOM 135 O TYR A 9 5.422 6.083 -12.569 1.00 41.22 O ATOM 136 CB TYR A 9 6.429 8.864 -11.111 1.00 31.20 C ATOM 137 CG TYR A 9 6.334 10.321 -10.655 1.00 21.14 C ATOM 138 CD1 TYR A 9 5.105 10.945 -10.589 1.00 32.03 C ATOM 139 CD2 TYR A 9 7.478 11.012 -10.309 1.00 31.52 C ATOM 140 CE1 TYR A 9 5.016 12.317 -10.159 1.00 74.51 C ATOM 141 CE2 TYR A 9 7.389 12.383 -9.879 1.00 53.12 C ATOM 142 CZ TYR A 9 6.162 12.968 -9.826 1.00 30.25 C ATOM 143 OH TYR A 9 6.078 14.263 -9.420 1.00 13.22 O ATOM 0 H TYR A 9 4.802 7.266 -10.078 1.00 64.04 H new ATOM 0 HA TYR A 9 4.663 9.141 -12.380 1.00 52.11 H new ATOM 0 HB2 TYR A 9 6.619 8.234 -10.242 1.00 31.20 H new ATOM 0 HB3 TYR A 9 7.286 8.757 -11.776 1.00 31.20 H new ATOM 0 HD1 TYR A 9 4.210 10.405 -10.860 1.00 32.03 H new ATOM 0 HD2 TYR A 9 8.440 10.524 -10.361 1.00 31.52 H new ATOM 0 HE1 TYR A 9 4.060 12.817 -10.102 1.00 74.51 H new ATOM 0 HE2 TYR A 9 8.276 12.935 -9.605 1.00 53.12 H new ATOM 0 HH TYR A 9 6.975 14.600 -9.213 1.00 13.22 H new ATOM 153 N PRO A 10 6.121 7.739 -13.993 1.00 14.20 N ATOM 154 CA PRO A 10 6.552 6.826 -15.037 1.00 44.15 C ATOM 155 C PRO A 10 7.871 6.146 -14.661 1.00 55.43 C ATOM 156 O PRO A 10 8.503 6.514 -13.672 1.00 52.44 O ATOM 157 CB PRO A 10 6.662 7.683 -16.288 1.00 74.44 C ATOM 158 CG PRO A 10 6.739 9.121 -15.803 1.00 40.11 C ATOM 159 CD PRO A 10 6.329 9.142 -14.340 1.00 13.02 C ATOM 0 HA PRO A 10 5.852 6.005 -15.192 1.00 44.15 H new ATOM 0 HB2 PRO A 10 7.547 7.418 -16.866 1.00 74.44 H new ATOM 0 HB3 PRO A 10 5.800 7.536 -16.939 1.00 74.44 H new ATOM 0 HG2 PRO A 10 7.750 9.510 -15.922 1.00 40.11 H new ATOM 0 HG3 PRO A 10 6.081 9.759 -16.393 1.00 40.11 H new ATOM 0 HD2 PRO A 10 7.102 9.593 -13.718 1.00 13.02 H new ATOM 0 HD3 PRO A 10 5.420 9.725 -14.192 1.00 13.02 H new ATOM 167 N PHE A 11 8.246 5.167 -15.470 1.00 60.51 N ATOM 168 CA PHE A 11 9.478 4.432 -15.235 1.00 15.14 C ATOM 169 C PHE A 11 10.694 5.242 -15.687 1.00 41.22 C ATOM 170 O PHE A 11 11.774 5.120 -15.112 1.00 5.20 O ATOM 171 CB PHE A 11 9.398 3.148 -16.063 1.00 11.13 C ATOM 172 CG PHE A 11 10.760 2.533 -16.389 1.00 21.41 C ATOM 173 CD1 PHE A 11 11.565 3.116 -17.317 1.00 70.54 C ATOM 174 CD2 PHE A 11 11.166 1.402 -15.750 1.00 41.55 C ATOM 175 CE1 PHE A 11 12.829 2.544 -17.620 1.00 42.22 C ATOM 176 CE2 PHE A 11 12.430 0.831 -16.053 1.00 44.13 C ATOM 177 CZ PHE A 11 13.235 1.414 -16.982 1.00 2.12 C ATOM 0 H PHE A 11 7.719 4.865 -16.289 1.00 60.51 H new ATOM 0 HA PHE A 11 9.590 4.223 -14.171 1.00 15.14 H new ATOM 0 HB2 PHE A 11 8.800 2.415 -15.521 1.00 11.13 H new ATOM 0 HB3 PHE A 11 8.874 3.361 -16.995 1.00 11.13 H new ATOM 0 HD1 PHE A 11 11.243 4.014 -17.824 1.00 70.54 H new ATOM 0 HD2 PHE A 11 10.527 0.939 -15.013 1.00 41.55 H new ATOM 0 HE1 PHE A 11 13.468 3.007 -18.357 1.00 42.22 H new ATOM 0 HE2 PHE A 11 12.753 -0.066 -15.546 1.00 44.13 H new ATOM 0 HZ PHE A 11 14.196 0.979 -17.213 1.00 2.12 H new ATOM 187 N GLU A 12 10.478 6.051 -16.714 1.00 13.22 N ATOM 188 CA GLU A 12 11.543 6.881 -17.250 1.00 50.22 C ATOM 189 C GLU A 12 11.879 8.010 -16.274 1.00 10.21 C ATOM 190 O GLU A 12 12.942 8.622 -16.369 1.00 21.45 O ATOM 191 CB GLU A 12 11.165 7.439 -18.624 1.00 31.41 C ATOM 192 CG GLU A 12 11.353 6.382 -19.715 1.00 14.41 C ATOM 193 CD GLU A 12 11.668 7.036 -21.062 1.00 74.31 C ATOM 194 OE1 GLU A 12 12.548 6.557 -21.792 1.00 50.14 O ATOM 195 OE2 GLU A 12 10.959 8.077 -21.342 1.00 4.01 O ATOM 0 H GLU A 12 9.581 6.149 -17.189 1.00 13.22 H new ATOM 0 HA GLU A 12 12.430 6.261 -17.377 1.00 50.22 H new ATOM 0 HB2 GLU A 12 10.128 7.774 -18.612 1.00 31.41 H new ATOM 0 HB3 GLU A 12 11.779 8.311 -18.848 1.00 31.41 H new ATOM 0 HG2 GLU A 12 12.162 5.706 -19.437 1.00 14.41 H new ATOM 0 HG3 GLU A 12 10.449 5.779 -19.802 1.00 14.41 H new ATOM 203 N LYS A 13 10.953 8.253 -15.358 1.00 72.21 N ATOM 204 CA LYS A 13 11.137 9.298 -14.365 1.00 64.43 C ATOM 205 C LYS A 13 12.278 8.905 -13.425 1.00 4.35 C ATOM 206 O LYS A 13 13.355 9.499 -13.467 1.00 14.32 O ATOM 207 CB LYS A 13 9.820 9.591 -13.645 1.00 52.32 C ATOM 208 CG LYS A 13 9.861 10.960 -12.963 1.00 40.32 C ATOM 209 CD LYS A 13 9.639 12.085 -13.977 1.00 24.31 C ATOM 210 CE LYS A 13 8.186 12.113 -14.455 1.00 2.53 C ATOM 211 NZ LYS A 13 7.264 11.853 -13.326 1.00 44.44 N ATOM 0 H LYS A 13 10.072 7.744 -15.283 1.00 72.21 H new ATOM 0 HA LYS A 13 11.425 10.233 -14.844 1.00 64.43 H new ATOM 0 HB2 LYS A 13 8.997 9.561 -14.359 1.00 52.32 H new ATOM 0 HB3 LYS A 13 9.627 8.817 -12.903 1.00 52.32 H new ATOM 0 HG2 LYS A 13 9.096 11.007 -12.188 1.00 40.32 H new ATOM 0 HG3 LYS A 13 10.823 11.095 -12.469 1.00 40.32 H new ATOM 0 HD2 LYS A 13 9.895 13.043 -13.525 1.00 24.31 H new ATOM 0 HD3 LYS A 13 10.304 11.947 -14.830 1.00 24.31 H new ATOM 0 HE2 LYS A 13 7.962 13.083 -14.900 1.00 2.53 H new ATOM 0 HE3 LYS A 13 8.038 11.364 -15.233 1.00 2.53 H new ATOM 0 HZ1 LYS A 13 6.281 11.942 -13.653 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 7.422 10.891 -12.963 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 7.441 12.543 -12.568 1.00 44.44 H new ATOM 224 N ARG A 14 12.004 7.907 -12.597 1.00 50.34 N ATOM 225 CA ARG A 14 12.994 7.429 -11.648 1.00 21.43 C ATOM 226 C ARG A 14 14.309 7.115 -12.364 1.00 40.24 C ATOM 227 O ARG A 14 15.374 7.129 -11.749 1.00 40.11 O ATOM 228 CB ARG A 14 12.503 6.172 -10.926 1.00 14.41 C ATOM 229 CG ARG A 14 12.099 5.088 -11.927 1.00 32.34 C ATOM 230 CD ARG A 14 13.278 4.164 -12.239 1.00 74.31 C ATOM 231 NE ARG A 14 13.901 3.695 -10.981 1.00 75.11 N ATOM 232 CZ ARG A 14 13.316 2.832 -10.123 1.00 10.44 C ATOM 233 NH1 ARG A 14 12.087 2.337 -10.380 1.00 70.31 N ATOM 234 NH2 ARG A 14 13.964 2.481 -9.028 1.00 0.34 N ATOM 0 H ARG A 14 11.110 7.417 -12.564 1.00 50.34 H new ATOM 0 HA ARG A 14 13.156 8.218 -10.913 1.00 21.43 H new ATOM 0 HB2 ARG A 14 13.289 5.794 -10.272 1.00 14.41 H new ATOM 0 HB3 ARG A 14 11.653 6.421 -10.291 1.00 14.41 H new ATOM 0 HG2 ARG A 14 11.272 4.504 -11.523 1.00 32.34 H new ATOM 0 HG3 ARG A 14 11.742 5.552 -12.847 1.00 32.34 H new ATOM 0 HD2 ARG A 14 12.937 3.311 -12.825 1.00 74.31 H new ATOM 0 HD3 ARG A 14 14.015 4.693 -12.844 1.00 74.31 H new ATOM 0 HE ARG A 14 14.830 4.046 -10.748 1.00 75.11 H new ATOM 0 HH11 ARG A 14 11.593 2.614 -11.228 1.00 70.31 H new ATOM 0 HH12 ARG A 14 11.653 1.686 -9.726 1.00 70.31 H new ATOM 0 HH21 ARG A 14 14.892 2.861 -8.841 1.00 0.34 H new ATOM 0 HH22 ARG A 14 13.537 1.830 -8.369 1.00 0.34 H new ATOM 247 N LYS A 15 14.192 6.840 -13.655 1.00 35.10 N ATOM 248 CA LYS A 15 15.358 6.524 -14.462 1.00 33.40 C ATOM 249 C LYS A 15 16.049 7.822 -14.882 1.00 4.11 C ATOM 250 O LYS A 15 17.270 7.860 -15.029 1.00 70.25 O ATOM 251 CB LYS A 15 14.968 5.626 -15.638 1.00 50.12 C ATOM 252 CG LYS A 15 15.963 5.770 -16.791 1.00 43.43 C ATOM 253 CD LYS A 15 16.055 4.476 -17.601 1.00 65.33 C ATOM 254 CE LYS A 15 16.860 4.688 -18.885 1.00 52.32 C ATOM 255 NZ LYS A 15 18.301 4.821 -18.578 1.00 5.23 N ATOM 0 H LYS A 15 13.307 6.830 -14.162 1.00 35.10 H new ATOM 0 HA LYS A 15 16.081 5.952 -13.880 1.00 33.40 H new ATOM 0 HB2 LYS A 15 14.933 4.587 -15.311 1.00 50.12 H new ATOM 0 HB3 LYS A 15 13.967 5.886 -15.982 1.00 50.12 H new ATOM 0 HG2 LYS A 15 15.655 6.589 -17.441 1.00 43.43 H new ATOM 0 HG3 LYS A 15 16.946 6.027 -16.397 1.00 43.43 H new ATOM 0 HD2 LYS A 15 16.524 3.698 -16.998 1.00 65.33 H new ATOM 0 HD3 LYS A 15 15.053 4.126 -17.849 1.00 65.33 H new ATOM 0 HE2 LYS A 15 16.703 3.849 -19.562 1.00 52.32 H new ATOM 0 HE3 LYS A 15 16.508 5.583 -19.398 1.00 52.32 H new ATOM 0 HZ1 LYS A 15 18.856 4.286 -19.277 1.00 5.23 H new ATOM 0 HZ2 LYS A 15 18.573 5.824 -18.615 1.00 5.23 H new ATOM 0 HZ3 LYS A 15 18.489 4.446 -17.626 1.00 5.23 H new ATOM 268 N ALA A 16 15.239 8.855 -15.063 1.00 24.25 N ATOM 269 CA ALA A 16 15.758 10.152 -15.463 1.00 22.24 C ATOM 270 C ALA A 16 16.491 10.790 -14.281 1.00 31.23 C ATOM 271 O ALA A 16 17.485 11.490 -14.467 1.00 22.33 O ATOM 272 CB ALA A 16 14.611 11.024 -15.977 1.00 63.01 C ATOM 0 H ALA A 16 14.227 8.820 -14.940 1.00 24.25 H new ATOM 0 HA ALA A 16 16.476 10.044 -16.276 1.00 22.24 H new ATOM 0 HB1 ALA A 16 15.000 11.997 -16.277 1.00 63.01 H new ATOM 0 HB2 ALA A 16 14.142 10.541 -16.834 1.00 63.01 H new ATOM 0 HB3 ALA A 16 13.872 11.157 -15.186 1.00 63.01 H new ATOM 278 N GLU A 17 15.971 10.525 -13.091 1.00 2.40 N ATOM 279 CA GLU A 17 16.564 11.065 -11.879 1.00 34.02 C ATOM 280 C GLU A 17 17.995 10.550 -11.712 1.00 75.53 C ATOM 281 O GLU A 17 18.928 11.336 -11.559 1.00 15.24 O ATOM 282 CB GLU A 17 15.712 10.725 -10.654 1.00 63.40 C ATOM 283 CG GLU A 17 15.965 11.717 -9.517 1.00 43.24 C ATOM 284 CD GLU A 17 17.451 12.071 -9.419 1.00 34.11 C ATOM 285 OE1 GLU A 17 17.894 13.058 -10.024 1.00 42.11 O ATOM 286 OE2 GLU A 17 18.152 11.279 -8.681 1.00 32.05 O ATOM 0 H GLU A 17 15.146 9.944 -12.940 1.00 2.40 H new ATOM 0 HA GLU A 17 16.598 12.151 -11.967 1.00 34.02 H new ATOM 0 HB2 GLU A 17 14.656 10.739 -10.926 1.00 63.40 H new ATOM 0 HB3 GLU A 17 15.941 9.714 -10.317 1.00 63.40 H new ATOM 0 HG2 GLU A 17 15.382 12.623 -9.683 1.00 43.24 H new ATOM 0 HG3 GLU A 17 15.626 11.289 -8.574 1.00 43.24 H new ATOM 294 N SER A 18 18.123 9.231 -11.749 1.00 13.34 N ATOM 295 CA SER A 18 19.424 8.602 -11.604 1.00 21.44 C ATOM 296 C SER A 18 20.403 9.181 -12.627 1.00 53.20 C ATOM 297 O SER A 18 21.599 9.283 -12.359 1.00 70.31 O ATOM 298 CB SER A 18 19.323 7.084 -11.767 1.00 32.24 C ATOM 299 OG SER A 18 18.806 6.717 -13.043 1.00 51.31 O ATOM 0 H SER A 18 17.347 8.582 -11.877 1.00 13.34 H new ATOM 0 HA SER A 18 19.793 8.809 -10.600 1.00 21.44 H new ATOM 0 HB2 SER A 18 20.309 6.639 -11.634 1.00 32.24 H new ATOM 0 HB3 SER A 18 18.681 6.677 -10.985 1.00 32.24 H new ATOM 0 HG SER A 18 18.317 7.474 -13.428 1.00 51.31 H new ATOM 305 N GLU A 19 19.858 9.546 -13.778 1.00 51.32 N ATOM 306 CA GLU A 19 20.668 10.113 -14.843 1.00 51.02 C ATOM 307 C GLU A 19 21.173 11.501 -14.445 1.00 12.24 C ATOM 308 O GLU A 19 22.217 11.946 -14.919 1.00 70.31 O ATOM 309 CB GLU A 19 19.885 10.171 -16.156 1.00 72.32 C ATOM 310 CG GLU A 19 19.492 8.767 -16.622 1.00 50.34 C ATOM 311 CD GLU A 19 20.576 8.163 -17.517 1.00 41.44 C ATOM 312 OE1 GLU A 19 20.265 7.370 -18.419 1.00 3.53 O ATOM 313 OE2 GLU A 19 21.779 8.546 -17.251 1.00 31.03 O ATOM 0 H GLU A 19 18.865 9.460 -13.997 1.00 51.32 H new ATOM 0 HA GLU A 19 21.530 9.465 -15.000 1.00 51.02 H new ATOM 0 HB2 GLU A 19 18.989 10.778 -16.023 1.00 72.32 H new ATOM 0 HB3 GLU A 19 20.489 10.657 -16.923 1.00 72.32 H new ATOM 0 HG2 GLU A 19 19.330 8.125 -15.756 1.00 50.34 H new ATOM 0 HG3 GLU A 19 18.549 8.811 -17.167 1.00 50.34 H new ATOM 321 N ARG A 20 20.408 12.147 -13.577 1.00 1.42 N ATOM 322 CA ARG A 20 20.765 13.476 -13.109 1.00 51.00 C ATOM 323 C ARG A 20 21.853 13.387 -12.037 1.00 33.12 C ATOM 324 O ARG A 20 22.941 13.935 -12.205 1.00 21.13 O ATOM 325 CB ARG A 20 19.548 14.202 -12.532 1.00 40.01 C ATOM 326 CG ARG A 20 18.671 14.773 -13.648 1.00 14.42 C ATOM 327 CD ARG A 20 17.490 15.557 -13.070 1.00 43.11 C ATOM 328 NE ARG A 20 17.985 16.691 -12.258 1.00 53.30 N ATOM 329 CZ ARG A 20 17.273 17.288 -11.278 1.00 72.33 C ATOM 330 NH1 ARG A 20 16.027 16.862 -10.980 1.00 72.13 N ATOM 331 NH2 ARG A 20 17.813 18.294 -10.616 1.00 62.31 N ATOM 0 H ARG A 20 19.543 11.775 -13.186 1.00 1.42 H new ATOM 0 HA ARG A 20 21.138 14.039 -13.964 1.00 51.00 H new ATOM 0 HB2 ARG A 20 18.964 13.513 -11.922 1.00 40.01 H new ATOM 0 HB3 ARG A 20 19.878 15.007 -11.876 1.00 40.01 H new ATOM 0 HG2 ARG A 20 19.267 15.425 -14.287 1.00 14.42 H new ATOM 0 HG3 ARG A 20 18.302 13.962 -14.276 1.00 14.42 H new ATOM 0 HD2 ARG A 20 16.857 15.926 -13.877 1.00 43.11 H new ATOM 0 HD3 ARG A 20 16.873 14.901 -12.456 1.00 43.11 H new ATOM 0 HE ARG A 20 18.923 17.044 -12.451 1.00 53.30 H new ATOM 0 HH11 ARG A 20 15.617 16.084 -11.496 1.00 72.13 H new ATOM 0 HH12 ARG A 20 15.496 17.318 -10.238 1.00 72.13 H new ATOM 0 HH21 ARG A 20 18.755 18.610 -10.847 1.00 62.31 H new ATOM 0 HH22 ARG A 20 17.288 18.756 -9.873 1.00 62.31 H new ATOM 344 N ILE A 21 21.521 12.692 -10.959 1.00 14.34 N ATOM 345 CA ILE A 21 22.456 12.524 -9.859 1.00 53.41 C ATOM 346 C ILE A 21 23.791 12.015 -10.405 1.00 4.34 C ATOM 347 O ILE A 21 24.831 12.186 -9.769 1.00 71.33 O ATOM 348 CB ILE A 21 21.853 11.629 -8.775 1.00 33.01 C ATOM 349 CG1 ILE A 21 20.911 12.424 -7.868 1.00 4.21 C ATOM 350 CG2 ILE A 21 22.949 10.917 -7.980 1.00 32.31 C ATOM 351 CD1 ILE A 21 20.307 11.528 -6.785 1.00 11.31 C ATOM 0 H ILE A 21 20.617 12.239 -10.824 1.00 14.34 H new ATOM 0 HA ILE A 21 22.652 13.481 -9.376 1.00 53.41 H new ATOM 0 HB ILE A 21 21.256 10.858 -9.262 1.00 33.01 H new ATOM 0 HG12 ILE A 21 21.456 13.246 -7.403 1.00 4.21 H new ATOM 0 HG13 ILE A 21 20.114 12.867 -8.465 1.00 4.21 H new ATOM 0 HG21 ILE A 21 22.493 10.287 -7.216 1.00 32.31 H new ATOM 0 HG22 ILE A 21 23.543 10.299 -8.653 1.00 32.31 H new ATOM 0 HG23 ILE A 21 23.592 11.657 -7.504 1.00 32.31 H new ATOM 0 HD11 ILE A 21 19.642 12.118 -6.154 1.00 11.31 H new ATOM 0 HD12 ILE A 21 19.743 10.721 -7.253 1.00 11.31 H new ATOM 0 HD13 ILE A 21 21.106 11.106 -6.175 1.00 11.31 H new ATOM 363 N ALA A 22 23.720 11.401 -11.576 1.00 61.40 N ATOM 364 CA ALA A 22 24.911 10.865 -12.214 1.00 52.52 C ATOM 365 C ALA A 22 25.590 11.971 -13.025 1.00 72.23 C ATOM 366 O ALA A 22 26.815 12.009 -13.125 1.00 42.00 O ATOM 367 CB ALA A 22 24.530 9.660 -13.076 1.00 24.21 C ATOM 0 H ALA A 22 22.856 11.262 -12.100 1.00 61.40 H new ATOM 0 HA ALA A 22 25.624 10.518 -11.467 1.00 52.52 H new ATOM 0 HB1 ALA A 22 25.423 9.258 -13.554 1.00 24.21 H new ATOM 0 HB2 ALA A 22 24.078 8.892 -12.448 1.00 24.21 H new ATOM 0 HB3 ALA A 22 23.817 9.970 -13.840 1.00 24.21 H new ATOM 373 N ASP A 23 24.764 12.843 -13.584 1.00 51.12 N ATOM 374 CA ASP A 23 25.269 13.946 -14.384 1.00 3.35 C ATOM 375 C ASP A 23 25.911 14.986 -13.462 1.00 71.23 C ATOM 376 O ASP A 23 26.840 15.686 -13.862 1.00 54.15 O ATOM 377 CB ASP A 23 24.139 14.631 -15.154 1.00 40.13 C ATOM 378 CG ASP A 23 24.585 15.433 -16.378 1.00 54.45 C ATOM 379 OD1 ASP A 23 24.656 16.671 -16.340 1.00 30.22 O ATOM 380 OD2 ASP A 23 24.869 14.727 -17.419 1.00 65.44 O ATOM 0 H ASP A 23 23.748 12.808 -13.499 1.00 51.12 H new ATOM 0 HA ASP A 23 25.995 13.545 -15.091 1.00 3.35 H new ATOM 0 HB2 ASP A 23 23.426 13.872 -15.476 1.00 40.13 H new ATOM 0 HB3 ASP A 23 23.609 15.298 -14.474 1.00 40.13 H new ATOM 386 N ARG A 24 25.390 15.053 -12.246 1.00 1.50 N ATOM 387 CA ARG A 24 25.900 15.996 -11.265 1.00 24.24 C ATOM 388 C ARG A 24 26.946 15.321 -10.375 1.00 1.04 C ATOM 389 O ARG A 24 28.055 15.830 -10.219 1.00 21.23 O ATOM 390 CB ARG A 24 24.772 16.544 -10.389 1.00 21.35 C ATOM 391 CG ARG A 24 25.127 17.927 -9.838 1.00 64.54 C ATOM 392 CD ARG A 24 26.573 17.963 -9.339 1.00 43.25 C ATOM 393 NE ARG A 24 26.808 19.199 -8.559 1.00 63.34 N ATOM 394 CZ ARG A 24 27.008 20.415 -9.110 1.00 52.11 C ATOM 395 NH1 ARG A 24 27.002 20.569 -10.451 1.00 43.32 N ATOM 396 NH2 ARG A 24 27.208 21.451 -8.317 1.00 43.44 N ATOM 0 H ARG A 24 24.620 14.470 -11.918 1.00 1.50 H new ATOM 0 HA ARG A 24 26.358 16.824 -11.807 1.00 24.24 H new ATOM 0 HB2 ARG A 24 23.852 16.606 -10.971 1.00 21.35 H new ATOM 0 HB3 ARG A 24 24.582 15.858 -9.564 1.00 21.35 H new ATOM 0 HG2 ARG A 24 24.988 18.679 -10.615 1.00 64.54 H new ATOM 0 HG3 ARG A 24 24.450 18.182 -9.022 1.00 64.54 H new ATOM 0 HD2 ARG A 24 26.775 17.089 -8.720 1.00 43.25 H new ATOM 0 HD3 ARG A 24 27.260 17.921 -10.185 1.00 43.25 H new ATOM 0 HE ARG A 24 26.820 19.127 -7.542 1.00 63.34 H new ATOM 0 HH11 ARG A 24 26.845 19.763 -11.056 1.00 43.32 H new ATOM 0 HH12 ARG A 24 27.154 21.491 -10.859 1.00 43.32 H new ATOM 0 HH21 ARG A 24 27.210 21.326 -7.305 1.00 43.44 H new ATOM 0 HH22 ARG A 24 27.361 22.377 -8.716 1.00 43.44 H new ATOM 409 N PHE A 25 26.556 14.186 -9.814 1.00 72.21 N ATOM 410 CA PHE A 25 27.446 13.436 -8.944 1.00 13.12 C ATOM 411 C PHE A 25 27.513 11.966 -9.363 1.00 42.33 C ATOM 412 O PHE A 25 26.864 11.114 -8.759 1.00 40.11 O ATOM 413 CB PHE A 25 26.868 13.525 -7.530 1.00 32.40 C ATOM 414 CG PHE A 25 26.323 14.907 -7.166 1.00 1.32 C ATOM 415 CD1 PHE A 25 27.167 15.873 -6.713 1.00 20.10 C ATOM 416 CD2 PHE A 25 24.995 15.171 -7.295 1.00 21.42 C ATOM 417 CE1 PHE A 25 26.661 17.156 -6.375 1.00 5.11 C ATOM 418 CE2 PHE A 25 24.490 16.454 -6.957 1.00 34.23 C ATOM 419 CZ PHE A 25 25.333 17.419 -6.504 1.00 5.51 C ATOM 0 H PHE A 25 25.635 13.767 -9.945 1.00 72.21 H new ATOM 0 HA PHE A 25 28.454 13.848 -8.999 1.00 13.12 H new ATOM 0 HB2 PHE A 25 26.068 12.792 -7.429 1.00 32.40 H new ATOM 0 HB3 PHE A 25 27.643 13.251 -6.814 1.00 32.40 H new ATOM 0 HD1 PHE A 25 28.222 15.664 -6.610 1.00 20.10 H new ATOM 0 HD2 PHE A 25 24.325 14.404 -7.655 1.00 21.42 H new ATOM 0 HE1 PHE A 25 27.331 17.923 -6.015 1.00 5.11 H new ATOM 0 HE2 PHE A 25 23.435 16.663 -7.060 1.00 34.23 H new ATOM 0 HZ PHE A 25 24.948 18.395 -6.246 1.00 5.51 H new ATOM 429 N PRO A 26 28.326 11.708 -10.423 1.00 32.32 N ATOM 430 CA PRO A 26 28.487 10.356 -10.930 1.00 75.23 C ATOM 431 C PRO A 26 29.374 9.524 -10.002 1.00 60.34 C ATOM 432 O PRO A 26 29.621 8.348 -10.264 1.00 64.41 O ATOM 433 CB PRO A 26 29.075 10.525 -12.321 1.00 45.12 C ATOM 434 CG PRO A 26 29.654 11.930 -12.361 1.00 15.41 C ATOM 435 CD PRO A 26 29.110 12.692 -11.163 1.00 70.11 C ATOM 0 HA PRO A 26 27.546 9.808 -10.974 1.00 75.23 H new ATOM 0 HB2 PRO A 26 29.846 9.779 -12.512 1.00 45.12 H new ATOM 0 HB3 PRO A 26 28.310 10.396 -13.087 1.00 45.12 H new ATOM 0 HG2 PRO A 26 30.743 11.895 -12.329 1.00 15.41 H new ATOM 0 HG3 PRO A 26 29.378 12.430 -13.289 1.00 15.41 H new ATOM 0 HD2 PRO A 26 29.917 13.097 -10.552 1.00 70.11 H new ATOM 0 HD3 PRO A 26 28.494 13.535 -11.476 1.00 70.11 H new ATOM 443 N ASN A 27 29.829 10.167 -8.937 1.00 53.11 N ATOM 444 CA ASN A 27 30.683 9.501 -7.969 1.00 2.12 C ATOM 445 C ASN A 27 29.858 9.134 -6.734 1.00 12.42 C ATOM 446 O ASN A 27 30.412 8.883 -5.665 1.00 32.22 O ATOM 447 CB ASN A 27 31.824 10.416 -7.520 1.00 44.01 C ATOM 448 CG ASN A 27 32.995 10.355 -8.503 1.00 61.32 C ATOM 449 OD1 ASN A 27 34.037 9.781 -8.232 1.00 45.34 O ATOM 450 ND2 ASN A 27 32.766 10.976 -9.657 1.00 21.04 N ATOM 0 H ASN A 27 29.622 11.143 -8.723 1.00 53.11 H new ATOM 0 HA ASN A 27 31.099 8.611 -8.442 1.00 2.12 H new ATOM 0 HB2 ASN A 27 31.463 11.442 -7.442 1.00 44.01 H new ATOM 0 HB3 ASN A 27 32.162 10.121 -6.527 1.00 44.01 H new ATOM 0 HD21 ASN A 27 33.486 10.991 -10.380 1.00 21.04 H new ATOM 0 HD22 ASN A 27 31.871 11.437 -9.819 1.00 21.04 H new ATOM 457 N ARG A 28 28.547 9.116 -6.922 1.00 75.31 N ATOM 458 CA ARG A 28 27.639 8.784 -5.837 1.00 22.04 C ATOM 459 C ARG A 28 26.825 7.537 -6.188 1.00 15.50 C ATOM 460 O ARG A 28 26.978 6.977 -7.272 1.00 34.20 O ATOM 461 CB ARG A 28 26.684 9.943 -5.543 1.00 64.13 C ATOM 462 CG ARG A 28 27.405 11.073 -4.805 1.00 15.11 C ATOM 463 CD ARG A 28 27.345 10.864 -3.290 1.00 63.34 C ATOM 464 NE ARG A 28 27.473 12.164 -2.594 1.00 72.54 N ATOM 465 CZ ARG A 28 28.640 12.820 -2.425 1.00 1.01 C ATOM 466 NH1 ARG A 28 29.793 12.302 -2.901 1.00 14.43 N ATOM 467 NH2 ARG A 28 28.638 13.976 -1.787 1.00 32.41 N ATOM 0 H ARG A 28 28.091 9.326 -7.810 1.00 75.31 H new ATOM 0 HA ARG A 28 28.241 8.591 -4.949 1.00 22.04 H new ATOM 0 HB2 ARG A 28 26.267 10.321 -6.476 1.00 64.13 H new ATOM 0 HB3 ARG A 28 25.848 9.586 -4.942 1.00 64.13 H new ATOM 0 HG2 ARG A 28 28.445 11.118 -5.129 1.00 15.11 H new ATOM 0 HG3 ARG A 28 26.949 12.029 -5.062 1.00 15.11 H new ATOM 0 HD2 ARG A 28 26.403 10.387 -3.017 1.00 63.34 H new ATOM 0 HD3 ARG A 28 28.145 10.193 -2.975 1.00 63.34 H new ATOM 0 HE ARG A 28 26.626 12.591 -2.219 1.00 72.54 H new ATOM 0 HH11 ARG A 28 29.786 11.408 -3.393 1.00 14.43 H new ATOM 0 HH12 ARG A 28 30.671 12.805 -2.769 1.00 14.43 H new ATOM 0 HH21 ARG A 28 27.763 14.360 -1.430 1.00 32.41 H new ATOM 0 HH22 ARG A 28 29.511 14.485 -1.651 1.00 32.41 H new ATOM 480 N ILE A 29 25.976 7.140 -5.251 1.00 4.42 N ATOM 481 CA ILE A 29 25.137 5.971 -5.448 1.00 23.51 C ATOM 482 C ILE A 29 23.776 6.208 -4.791 1.00 1.11 C ATOM 483 O ILE A 29 23.603 5.948 -3.601 1.00 41.13 O ATOM 484 CB ILE A 29 25.849 4.711 -4.950 1.00 71.22 C ATOM 485 CG1 ILE A 29 27.345 4.766 -5.265 1.00 62.32 C ATOM 486 CG2 ILE A 29 25.190 3.450 -5.514 1.00 3.11 C ATOM 487 CD1 ILE A 29 28.047 3.482 -4.818 1.00 21.04 C ATOM 0 H ILE A 29 25.852 7.608 -4.353 1.00 4.42 H new ATOM 0 HA ILE A 29 24.954 5.808 -6.510 1.00 23.51 H new ATOM 0 HB ILE A 29 25.750 4.668 -3.865 1.00 71.22 H new ATOM 0 HG12 ILE A 29 27.490 4.910 -6.336 1.00 62.32 H new ATOM 0 HG13 ILE A 29 27.794 5.624 -4.764 1.00 62.32 H new ATOM 0 HG21 ILE A 29 25.715 2.569 -5.145 1.00 3.11 H new ATOM 0 HG22 ILE A 29 24.148 3.411 -5.197 1.00 3.11 H new ATOM 0 HG23 ILE A 29 25.237 3.471 -6.603 1.00 3.11 H new ATOM 0 HD11 ILE A 29 29.109 3.547 -5.054 1.00 21.04 H new ATOM 0 HD12 ILE A 29 27.921 3.354 -3.743 1.00 21.04 H new ATOM 0 HD13 ILE A 29 27.612 2.629 -5.339 1.00 21.04 H new ATOM 499 N PRO A 30 22.820 6.712 -5.616 1.00 51.41 N ATOM 500 CA PRO A 30 21.479 6.988 -5.128 1.00 24.12 C ATOM 501 C PRO A 30 20.686 5.693 -4.943 1.00 61.22 C ATOM 502 O PRO A 30 20.055 5.208 -5.881 1.00 53.31 O ATOM 503 CB PRO A 30 20.867 7.917 -6.163 1.00 10.31 C ATOM 504 CG PRO A 30 21.710 7.757 -7.418 1.00 0.14 C ATOM 505 CD PRO A 30 22.989 7.033 -7.031 1.00 32.55 C ATOM 0 HA PRO A 30 21.477 7.455 -4.143 1.00 24.12 H new ATOM 0 HB2 PRO A 30 19.827 7.656 -6.356 1.00 10.31 H new ATOM 0 HB3 PRO A 30 20.877 8.950 -5.815 1.00 10.31 H new ATOM 0 HG2 PRO A 30 21.165 7.192 -8.174 1.00 0.14 H new ATOM 0 HG3 PRO A 30 21.939 8.731 -7.851 1.00 0.14 H new ATOM 0 HD2 PRO A 30 23.130 6.132 -7.627 1.00 32.55 H new ATOM 0 HD3 PRO A 30 23.864 7.662 -7.193 1.00 32.55 H new ATOM 513 N VAL A 31 20.744 5.169 -3.728 1.00 2.04 N ATOM 514 CA VAL A 31 20.039 3.940 -3.408 1.00 32.41 C ATOM 515 C VAL A 31 18.632 4.278 -2.911 1.00 52.33 C ATOM 516 O VAL A 31 18.416 5.335 -2.319 1.00 62.33 O ATOM 517 CB VAL A 31 20.847 3.119 -2.400 1.00 41.44 C ATOM 518 CG1 VAL A 31 20.004 1.985 -1.815 1.00 12.14 C ATOM 519 CG2 VAL A 31 22.129 2.578 -3.037 1.00 34.31 C ATOM 0 H VAL A 31 21.269 5.574 -2.953 1.00 2.04 H new ATOM 0 HA VAL A 31 19.930 3.321 -4.298 1.00 32.41 H new ATOM 0 HB VAL A 31 21.132 3.780 -1.581 1.00 41.44 H new ATOM 0 HG11 VAL A 31 20.602 1.418 -1.102 1.00 12.14 H new ATOM 0 HG12 VAL A 31 19.134 2.403 -1.308 1.00 12.14 H new ATOM 0 HG13 VAL A 31 19.674 1.326 -2.618 1.00 12.14 H new ATOM 0 HG21 VAL A 31 22.685 1.998 -2.300 1.00 34.31 H new ATOM 0 HG22 VAL A 31 21.874 1.940 -3.883 1.00 34.31 H new ATOM 0 HG23 VAL A 31 22.743 3.410 -3.382 1.00 34.31 H new ATOM 529 N ILE A 32 17.711 3.362 -3.171 1.00 32.12 N ATOM 530 CA ILE A 32 16.331 3.550 -2.758 1.00 15.24 C ATOM 531 C ILE A 32 15.954 2.467 -1.745 1.00 35.10 C ATOM 532 O ILE A 32 15.510 1.384 -2.125 1.00 5.21 O ATOM 533 CB ILE A 32 15.408 3.600 -3.977 1.00 61.33 C ATOM 534 CG1 ILE A 32 15.613 4.894 -4.767 1.00 54.01 C ATOM 535 CG2 ILE A 32 13.947 3.403 -3.568 1.00 61.51 C ATOM 536 CD1 ILE A 32 14.825 6.047 -4.143 1.00 14.51 C ATOM 0 H ILE A 32 17.894 2.487 -3.663 1.00 32.12 H new ATOM 0 HA ILE A 32 16.211 4.511 -2.257 1.00 15.24 H new ATOM 0 HB ILE A 32 15.671 2.774 -4.638 1.00 61.33 H new ATOM 0 HG12 ILE A 32 16.673 5.145 -4.792 1.00 54.01 H new ATOM 0 HG13 ILE A 32 15.295 4.748 -5.799 1.00 54.01 H new ATOM 0 HG21 ILE A 32 13.313 3.443 -4.454 1.00 61.51 H new ATOM 0 HG22 ILE A 32 13.832 2.434 -3.083 1.00 61.51 H new ATOM 0 HG23 ILE A 32 13.653 4.192 -2.876 1.00 61.51 H new ATOM 0 HD11 ILE A 32 14.988 6.955 -4.723 1.00 14.51 H new ATOM 0 HD12 ILE A 32 13.763 5.803 -4.142 1.00 14.51 H new ATOM 0 HD13 ILE A 32 15.162 6.206 -3.119 1.00 14.51 H new ATOM 548 N CYS A 33 16.143 2.796 -0.476 1.00 3.42 N ATOM 549 CA CYS A 33 15.829 1.865 0.594 1.00 12.13 C ATOM 550 C CYS A 33 14.308 1.724 0.676 1.00 34.42 C ATOM 551 O CYS A 33 13.574 2.606 0.234 1.00 52.21 O ATOM 552 CB CYS A 33 16.433 2.310 1.927 1.00 2.24 C ATOM 553 SG CYS A 33 16.899 0.847 2.923 1.00 45.13 S ATOM 0 H CYS A 33 16.510 3.695 -0.164 1.00 3.42 H new ATOM 0 HA CYS A 33 16.272 0.893 0.376 1.00 12.13 H new ATOM 0 HB2 CYS A 33 17.310 2.933 1.749 1.00 2.24 H new ATOM 0 HB3 CYS A 33 15.715 2.920 2.475 1.00 2.24 H new ATOM 0 HG CYS A 33 16.108 0.751 3.950 1.00 45.13 H new ATOM 559 N GLU A 34 13.879 0.607 1.245 1.00 31.43 N ATOM 560 CA GLU A 34 12.458 0.338 1.391 1.00 43.21 C ATOM 561 C GLU A 34 12.209 -0.557 2.606 1.00 21.13 C ATOM 562 O GLU A 34 12.779 -1.642 2.710 1.00 5.10 O ATOM 563 CB GLU A 34 11.886 -0.292 0.119 1.00 2.34 C ATOM 564 CG GLU A 34 11.435 0.784 -0.871 1.00 3.35 C ATOM 565 CD GLU A 34 10.326 1.651 -0.271 1.00 22.02 C ATOM 566 OE1 GLU A 34 10.218 2.840 -0.607 1.00 21.32 O ATOM 567 OE2 GLU A 34 9.559 1.048 0.573 1.00 73.35 O ATOM 0 H GLU A 34 14.491 -0.123 1.611 1.00 31.43 H new ATOM 0 HA GLU A 34 11.943 1.285 1.551 1.00 43.21 H new ATOM 0 HB2 GLU A 34 12.639 -0.927 -0.347 1.00 2.34 H new ATOM 0 HB3 GLU A 34 11.042 -0.933 0.374 1.00 2.34 H new ATOM 0 HG2 GLU A 34 12.284 1.411 -1.144 1.00 3.35 H new ATOM 0 HG3 GLU A 34 11.078 0.314 -1.787 1.00 3.35 H new ATOM 575 N LYS A 35 11.356 -0.070 3.495 1.00 4.45 N ATOM 576 CA LYS A 35 11.025 -0.812 4.700 1.00 73.14 C ATOM 577 C LYS A 35 10.169 -2.024 4.327 1.00 74.14 C ATOM 578 O LYS A 35 9.272 -1.922 3.491 1.00 12.41 O ATOM 579 CB LYS A 35 10.371 0.108 5.733 1.00 24.53 C ATOM 580 CG LYS A 35 9.759 -0.702 6.878 1.00 31.01 C ATOM 581 CD LYS A 35 8.291 -1.027 6.596 1.00 72.05 C ATOM 582 CE LYS A 35 7.455 -0.947 7.875 1.00 45.52 C ATOM 583 NZ LYS A 35 6.270 -1.828 7.776 1.00 4.33 N ATOM 0 H LYS A 35 10.884 0.830 3.405 1.00 4.45 H new ATOM 0 HA LYS A 35 11.930 -1.193 5.174 1.00 73.14 H new ATOM 0 HB2 LYS A 35 11.113 0.802 6.129 1.00 24.53 H new ATOM 0 HB3 LYS A 35 9.598 0.708 5.253 1.00 24.53 H new ATOM 0 HG2 LYS A 35 10.320 -1.626 7.015 1.00 31.01 H new ATOM 0 HG3 LYS A 35 9.839 -0.140 7.809 1.00 31.01 H new ATOM 0 HD2 LYS A 35 7.897 -0.331 5.856 1.00 72.05 H new ATOM 0 HD3 LYS A 35 8.212 -2.026 6.168 1.00 72.05 H new ATOM 0 HE2 LYS A 35 8.062 -1.239 8.732 1.00 45.52 H new ATOM 0 HE3 LYS A 35 7.137 0.082 8.045 1.00 45.52 H new ATOM 0 HZ1 LYS A 35 5.714 -1.762 8.652 1.00 4.33 H new ATOM 0 HZ2 LYS A 35 5.683 -1.531 6.970 1.00 4.33 H new ATOM 0 HZ3 LYS A 35 6.579 -2.811 7.636 1.00 4.33 H new ATOM 596 N ALA A 36 10.476 -3.144 4.964 1.00 33.14 N ATOM 597 CA ALA A 36 9.746 -4.374 4.710 1.00 34.41 C ATOM 598 C ALA A 36 8.377 -4.300 5.391 1.00 63.34 C ATOM 599 O ALA A 36 8.293 -4.191 6.613 1.00 70.21 O ATOM 600 CB ALA A 36 10.573 -5.568 5.192 1.00 13.12 C ATOM 0 H ALA A 36 11.221 -3.225 5.656 1.00 33.14 H new ATOM 0 HA ALA A 36 9.576 -4.505 3.641 1.00 34.41 H new ATOM 0 HB1 ALA A 36 10.025 -6.491 5.001 1.00 13.12 H new ATOM 0 HB2 ALA A 36 11.522 -5.593 4.657 1.00 13.12 H new ATOM 0 HB3 ALA A 36 10.761 -5.472 6.261 1.00 13.12 H new ATOM 606 N GLU A 37 7.339 -4.363 4.569 1.00 4.34 N ATOM 607 CA GLU A 37 5.979 -4.304 5.077 1.00 61.03 C ATOM 608 C GLU A 37 5.766 -5.374 6.150 1.00 41.14 C ATOM 609 O GLU A 37 5.123 -5.119 7.167 1.00 42.33 O ATOM 610 CB GLU A 37 4.964 -4.455 3.942 1.00 32.53 C ATOM 611 CG GLU A 37 4.923 -5.897 3.432 1.00 61.23 C ATOM 612 CD GLU A 37 3.956 -6.035 2.254 1.00 10.31 C ATOM 613 OE1 GLU A 37 2.772 -6.341 2.457 1.00 14.30 O ATOM 614 OE2 GLU A 37 4.474 -5.810 1.094 1.00 31.11 O ATOM 0 H GLU A 37 7.413 -4.454 3.556 1.00 4.34 H new ATOM 0 HA GLU A 37 5.823 -3.326 5.532 1.00 61.03 H new ATOM 0 HB2 GLU A 37 3.975 -4.161 4.293 1.00 32.53 H new ATOM 0 HB3 GLU A 37 5.225 -3.783 3.124 1.00 32.53 H new ATOM 0 HG2 GLU A 37 5.922 -6.206 3.125 1.00 61.23 H new ATOM 0 HG3 GLU A 37 4.617 -6.563 4.239 1.00 61.23 H new ATOM 622 N LYS A 38 6.318 -6.549 5.886 1.00 70.12 N ATOM 623 CA LYS A 38 6.196 -7.659 6.816 1.00 5.30 C ATOM 624 C LYS A 38 6.717 -7.227 8.188 1.00 24.44 C ATOM 625 O LYS A 38 6.049 -7.429 9.201 1.00 2.53 O ATOM 626 CB LYS A 38 6.890 -8.904 6.259 1.00 54.44 C ATOM 627 CG LYS A 38 6.151 -9.438 5.030 1.00 62.32 C ATOM 628 CD LYS A 38 4.954 -10.298 5.441 1.00 63.45 C ATOM 629 CE LYS A 38 4.675 -11.383 4.398 1.00 1.11 C ATOM 630 NZ LYS A 38 3.807 -10.856 3.322 1.00 54.12 N ATOM 0 H LYS A 38 6.851 -6.757 5.041 1.00 70.12 H new ATOM 0 HA LYS A 38 5.150 -7.936 6.944 1.00 5.30 H new ATOM 0 HB2 LYS A 38 7.919 -8.663 5.993 1.00 54.44 H new ATOM 0 HB3 LYS A 38 6.932 -9.676 7.027 1.00 54.44 H new ATOM 0 HG2 LYS A 38 5.811 -8.605 4.415 1.00 62.32 H new ATOM 0 HG3 LYS A 38 6.834 -10.027 4.418 1.00 62.32 H new ATOM 0 HD2 LYS A 38 5.149 -10.760 6.409 1.00 63.45 H new ATOM 0 HD3 LYS A 38 4.073 -9.668 5.560 1.00 63.45 H new ATOM 0 HE2 LYS A 38 5.614 -11.739 3.974 1.00 1.11 H new ATOM 0 HE3 LYS A 38 4.196 -12.239 4.874 1.00 1.11 H new ATOM 0 HZ1 LYS A 38 3.627 -11.605 2.623 1.00 54.12 H new ATOM 0 HZ2 LYS A 38 2.904 -10.538 3.729 1.00 54.12 H new ATOM 0 HZ3 LYS A 38 4.278 -10.054 2.857 1.00 54.12 H new ATOM 643 N SER A 39 7.906 -6.642 8.177 1.00 20.25 N ATOM 644 CA SER A 39 8.524 -6.181 9.409 1.00 44.22 C ATOM 645 C SER A 39 7.521 -5.360 10.222 1.00 25.34 C ATOM 646 O SER A 39 6.401 -5.121 9.774 1.00 2.14 O ATOM 647 CB SER A 39 9.777 -5.352 9.119 1.00 41.21 C ATOM 648 OG SER A 39 10.762 -5.499 10.138 1.00 64.11 O ATOM 0 H SER A 39 8.458 -6.477 7.335 1.00 20.25 H new ATOM 0 HA SER A 39 8.824 -7.054 9.989 1.00 44.22 H new ATOM 0 HB2 SER A 39 10.199 -5.655 8.161 1.00 41.21 H new ATOM 0 HB3 SER A 39 9.503 -4.301 9.028 1.00 41.21 H new ATOM 0 HG SER A 39 11.251 -6.337 10.002 1.00 64.11 H new ATOM 654 N ASP A 40 7.960 -4.952 11.404 1.00 1.10 N ATOM 655 CA ASP A 40 7.115 -4.163 12.284 1.00 31.24 C ATOM 656 C ASP A 40 7.903 -2.954 12.792 1.00 12.02 C ATOM 657 O ASP A 40 7.591 -2.404 13.847 1.00 14.31 O ATOM 658 CB ASP A 40 6.669 -4.981 13.498 1.00 5.03 C ATOM 659 CG ASP A 40 5.486 -5.917 13.248 1.00 35.22 C ATOM 660 OD1 ASP A 40 4.367 -5.469 12.956 1.00 41.41 O ATOM 661 OD2 ASP A 40 5.750 -7.174 13.366 1.00 63.33 O ATOM 0 H ASP A 40 8.890 -5.153 11.772 1.00 1.10 H new ATOM 0 HA ASP A 40 6.238 -3.850 11.718 1.00 31.24 H new ATOM 0 HB2 ASP A 40 7.514 -5.574 13.848 1.00 5.03 H new ATOM 0 HB3 ASP A 40 6.406 -4.295 14.303 1.00 5.03 H new ATOM 667 N ILE A 41 8.909 -2.576 12.018 1.00 50.14 N ATOM 668 CA ILE A 41 9.744 -1.442 12.376 1.00 50.12 C ATOM 669 C ILE A 41 9.035 -0.146 11.976 1.00 23.05 C ATOM 670 O ILE A 41 8.101 -0.166 11.177 1.00 33.31 O ATOM 671 CB ILE A 41 11.140 -1.592 11.768 1.00 2.43 C ATOM 672 CG1 ILE A 41 11.220 -0.907 10.403 1.00 43.55 C ATOM 673 CG2 ILE A 41 11.552 -3.063 11.696 1.00 32.53 C ATOM 674 CD1 ILE A 41 12.543 -1.228 9.704 1.00 22.35 C ATOM 0 H ILE A 41 9.165 -3.035 11.144 1.00 50.14 H new ATOM 0 HA ILE A 41 9.894 -1.404 13.455 1.00 50.12 H new ATOM 0 HB ILE A 41 11.853 -1.090 12.422 1.00 2.43 H new ATOM 0 HG12 ILE A 41 10.387 -1.232 9.780 1.00 43.55 H new ATOM 0 HG13 ILE A 41 11.123 0.172 10.527 1.00 43.55 H new ATOM 0 HG21 ILE A 41 12.548 -3.141 11.260 1.00 32.53 H new ATOM 0 HG22 ILE A 41 11.561 -3.488 12.700 1.00 32.53 H new ATOM 0 HG23 ILE A 41 10.841 -3.610 11.077 1.00 32.53 H new ATOM 0 HD11 ILE A 41 12.574 -0.728 8.736 1.00 22.35 H new ATOM 0 HD12 ILE A 41 13.373 -0.879 10.318 1.00 22.35 H new ATOM 0 HD13 ILE A 41 12.626 -2.305 9.559 1.00 22.35 H new ATOM 686 N PRO A 42 9.520 0.979 12.567 1.00 53.32 N ATOM 687 CA PRO A 42 8.943 2.282 12.281 1.00 70.01 C ATOM 688 C PRO A 42 9.372 2.780 10.899 1.00 12.34 C ATOM 689 O PRO A 42 10.563 2.837 10.598 1.00 1.43 O ATOM 690 CB PRO A 42 9.420 3.180 13.411 1.00 70.12 C ATOM 691 CG PRO A 42 10.616 2.473 14.029 1.00 55.15 C ATOM 692 CD PRO A 42 10.625 1.041 13.518 1.00 2.34 C ATOM 0 HA PRO A 42 7.854 2.260 12.240 1.00 70.01 H new ATOM 0 HB2 PRO A 42 9.699 4.165 13.036 1.00 70.12 H new ATOM 0 HB3 PRO A 42 8.632 3.332 14.149 1.00 70.12 H new ATOM 0 HG2 PRO A 42 11.542 2.981 13.758 1.00 55.15 H new ATOM 0 HG3 PRO A 42 10.549 2.490 15.117 1.00 55.15 H new ATOM 0 HD2 PRO A 42 11.573 0.798 13.039 1.00 2.34 H new ATOM 0 HD3 PRO A 42 10.487 0.329 14.332 1.00 2.34 H new ATOM 700 N GLU A 43 8.377 3.129 10.096 1.00 23.43 N ATOM 701 CA GLU A 43 8.637 3.620 8.754 1.00 54.52 C ATOM 702 C GLU A 43 9.495 4.886 8.809 1.00 71.13 C ATOM 703 O GLU A 43 9.725 5.438 9.883 1.00 21.15 O ATOM 704 CB GLU A 43 7.329 3.877 8.002 1.00 41.02 C ATOM 705 CG GLU A 43 7.520 3.698 6.494 1.00 14.42 C ATOM 706 CD GLU A 43 6.208 3.290 5.820 1.00 10.05 C ATOM 707 OE1 GLU A 43 5.300 4.122 5.675 1.00 44.41 O ATOM 708 OE2 GLU A 43 6.150 2.059 5.441 1.00 65.53 O ATOM 0 H GLU A 43 7.390 3.081 10.349 1.00 23.43 H new ATOM 0 HA GLU A 43 9.188 2.854 8.208 1.00 54.52 H new ATOM 0 HB2 GLU A 43 6.560 3.192 8.359 1.00 41.02 H new ATOM 0 HB3 GLU A 43 6.978 4.888 8.210 1.00 41.02 H new ATOM 0 HG2 GLU A 43 7.884 4.628 6.057 1.00 14.42 H new ATOM 0 HG3 GLU A 43 8.280 2.939 6.308 1.00 14.42 H new ATOM 716 N ILE A 44 9.945 5.309 7.636 1.00 31.44 N ATOM 717 CA ILE A 44 10.773 6.499 7.537 1.00 33.44 C ATOM 718 C ILE A 44 10.045 7.553 6.700 1.00 20.45 C ATOM 719 O ILE A 44 8.966 7.293 6.170 1.00 30.13 O ATOM 720 CB ILE A 44 12.162 6.142 7.005 1.00 50.12 C ATOM 721 CG1 ILE A 44 12.066 5.151 5.843 1.00 21.22 C ATOM 722 CG2 ILE A 44 13.063 5.624 8.127 1.00 3.25 C ATOM 723 CD1 ILE A 44 13.457 4.736 5.360 1.00 43.31 C ATOM 0 H ILE A 44 9.752 4.849 6.747 1.00 31.44 H new ATOM 0 HA ILE A 44 10.937 6.933 8.523 1.00 33.44 H new ATOM 0 HB ILE A 44 12.622 7.050 6.616 1.00 50.12 H new ATOM 0 HG12 ILE A 44 11.508 4.269 6.158 1.00 21.22 H new ATOM 0 HG13 ILE A 44 11.511 5.602 5.020 1.00 21.22 H new ATOM 0 HG21 ILE A 44 14.044 5.378 7.721 1.00 3.25 H new ATOM 0 HG22 ILE A 44 13.169 6.393 8.892 1.00 3.25 H new ATOM 0 HG23 ILE A 44 12.618 4.732 8.568 1.00 3.25 H new ATOM 0 HD11 ILE A 44 13.360 4.032 4.534 1.00 43.31 H new ATOM 0 HD12 ILE A 44 14.003 5.617 5.023 1.00 43.31 H new ATOM 0 HD13 ILE A 44 14.000 4.263 6.178 1.00 43.31 H new ATOM 735 N ASP A 45 10.665 8.720 6.608 1.00 31.10 N ATOM 736 CA ASP A 45 10.090 9.814 5.845 1.00 53.34 C ATOM 737 C ASP A 45 9.926 9.382 4.386 1.00 0.21 C ATOM 738 O ASP A 45 8.808 9.310 3.878 1.00 42.51 O ATOM 739 CB ASP A 45 10.999 11.044 5.874 1.00 3.11 C ATOM 740 CG ASP A 45 10.980 11.832 7.186 1.00 74.24 C ATOM 741 OD1 ASP A 45 11.506 11.377 8.212 1.00 64.32 O ATOM 742 OD2 ASP A 45 10.384 12.975 7.126 1.00 21.44 O ATOM 0 H ASP A 45 11.560 8.932 7.049 1.00 31.10 H new ATOM 0 HA ASP A 45 9.128 10.066 6.291 1.00 53.34 H new ATOM 0 HB2 ASP A 45 12.022 10.726 5.674 1.00 3.11 H new ATOM 0 HB3 ASP A 45 10.708 11.711 5.063 1.00 3.11 H new ATOM 748 N LYS A 46 11.057 9.106 3.754 1.00 71.43 N ATOM 749 CA LYS A 46 11.053 8.682 2.364 1.00 50.54 C ATOM 750 C LYS A 46 12.295 7.832 2.090 1.00 21.04 C ATOM 751 O LYS A 46 12.994 7.431 3.020 1.00 41.12 O ATOM 752 CB LYS A 46 10.919 9.892 1.436 1.00 64.21 C ATOM 753 CG LYS A 46 12.177 10.762 1.485 1.00 12.11 C ATOM 754 CD LYS A 46 12.105 11.764 2.639 1.00 2.21 C ATOM 755 CE LYS A 46 13.289 12.733 2.598 1.00 14.01 C ATOM 756 NZ LYS A 46 13.067 13.779 1.575 1.00 14.42 N ATOM 0 H LYS A 46 11.982 9.168 4.179 1.00 71.43 H new ATOM 0 HA LYS A 46 10.186 8.054 2.160 1.00 50.54 H new ATOM 0 HB2 LYS A 46 10.746 9.554 0.414 1.00 64.21 H new ATOM 0 HB3 LYS A 46 10.051 10.484 1.727 1.00 64.21 H new ATOM 0 HG2 LYS A 46 13.057 10.129 1.602 1.00 12.11 H new ATOM 0 HG3 LYS A 46 12.292 11.296 0.542 1.00 12.11 H new ATOM 0 HD2 LYS A 46 11.171 12.323 2.582 1.00 2.21 H new ATOM 0 HD3 LYS A 46 12.100 11.230 3.589 1.00 2.21 H new ATOM 0 HE2 LYS A 46 13.422 13.195 3.576 1.00 14.01 H new ATOM 0 HE3 LYS A 46 14.206 12.187 2.376 1.00 14.01 H new ATOM 0 HZ1 LYS A 46 13.864 14.448 1.583 1.00 14.42 H new ATOM 0 HZ2 LYS A 46 12.996 13.337 0.636 1.00 14.42 H new ATOM 0 HZ3 LYS A 46 12.185 14.289 1.785 1.00 14.42 H new ATOM 769 N ARG A 47 12.532 7.582 0.811 1.00 30.31 N ATOM 770 CA ARG A 47 13.678 6.786 0.404 1.00 54.12 C ATOM 771 C ARG A 47 14.658 7.641 -0.401 1.00 44.13 C ATOM 772 O ARG A 47 14.440 7.894 -1.585 1.00 52.20 O ATOM 773 CB ARG A 47 13.243 5.588 -0.442 1.00 61.41 C ATOM 774 CG ARG A 47 12.001 5.923 -1.271 1.00 25.20 C ATOM 775 CD ARG A 47 11.567 4.725 -2.118 1.00 24.55 C ATOM 776 NE ARG A 47 10.094 4.712 -2.259 1.00 23.33 N ATOM 777 CZ ARG A 47 9.434 4.073 -3.248 1.00 43.12 C ATOM 778 NH1 ARG A 47 10.113 3.389 -4.194 1.00 34.33 N ATOM 779 NH2 ARG A 47 8.116 4.128 -3.277 1.00 52.15 N ATOM 0 H ARG A 47 11.950 7.916 0.043 1.00 30.31 H new ATOM 0 HA ARG A 47 14.166 6.420 1.307 1.00 54.12 H new ATOM 0 HB2 ARG A 47 14.057 5.291 -1.104 1.00 61.41 H new ATOM 0 HB3 ARG A 47 13.033 4.738 0.207 1.00 61.41 H new ATOM 0 HG2 ARG A 47 11.187 6.219 -0.609 1.00 25.20 H new ATOM 0 HG3 ARG A 47 12.211 6.774 -1.919 1.00 25.20 H new ATOM 0 HD2 ARG A 47 12.034 4.776 -3.101 1.00 24.55 H new ATOM 0 HD3 ARG A 47 11.904 3.799 -1.653 1.00 24.55 H new ATOM 0 HE ARG A 47 9.543 5.218 -1.565 1.00 23.33 H new ATOM 0 HH11 ARG A 47 11.132 3.353 -4.164 1.00 34.33 H new ATOM 0 HH12 ARG A 47 9.607 2.909 -4.938 1.00 34.33 H new ATOM 0 HH21 ARG A 47 7.611 4.648 -2.559 1.00 52.15 H new ATOM 0 HH22 ARG A 47 7.602 3.651 -4.017 1.00 52.15 H new ATOM 792 N LYS A 48 15.718 8.062 0.273 1.00 42.41 N ATOM 793 CA LYS A 48 16.733 8.884 -0.365 1.00 21.41 C ATOM 794 C LYS A 48 18.034 8.792 0.435 1.00 21.20 C ATOM 795 O LYS A 48 18.143 9.365 1.518 1.00 72.10 O ATOM 796 CB LYS A 48 16.225 10.315 -0.551 1.00 62.20 C ATOM 797 CG LYS A 48 16.982 11.023 -1.677 1.00 33.02 C ATOM 798 CD LYS A 48 16.745 12.534 -1.630 1.00 60.15 C ATOM 799 CE LYS A 48 17.142 13.192 -2.954 1.00 30.25 C ATOM 800 NZ LYS A 48 16.400 14.458 -3.146 1.00 32.30 N ATOM 0 H LYS A 48 15.896 7.849 1.255 1.00 42.41 H new ATOM 0 HA LYS A 48 16.948 8.514 -1.368 1.00 21.41 H new ATOM 0 HB2 LYS A 48 15.159 10.300 -0.778 1.00 62.20 H new ATOM 0 HB3 LYS A 48 16.345 10.871 0.379 1.00 62.20 H new ATOM 0 HG2 LYS A 48 18.049 10.815 -1.590 1.00 33.02 H new ATOM 0 HG3 LYS A 48 16.659 10.630 -2.641 1.00 33.02 H new ATOM 0 HD2 LYS A 48 15.694 12.735 -1.420 1.00 60.15 H new ATOM 0 HD3 LYS A 48 17.322 12.971 -0.815 1.00 60.15 H new ATOM 0 HE2 LYS A 48 18.214 13.387 -2.963 1.00 30.25 H new ATOM 0 HE3 LYS A 48 16.935 12.513 -3.781 1.00 30.25 H new ATOM 0 HZ1 LYS A 48 16.681 14.892 -4.049 1.00 32.30 H new ATOM 0 HZ2 LYS A 48 15.378 14.263 -3.159 1.00 32.30 H new ATOM 0 HZ3 LYS A 48 16.618 15.110 -2.366 1.00 32.30 H new ATOM 813 N TYR A 49 18.988 8.067 -0.129 1.00 65.54 N ATOM 814 CA TYR A 49 20.278 7.892 0.518 1.00 52.42 C ATOM 815 C TYR A 49 21.412 7.898 -0.509 1.00 50.51 C ATOM 816 O TYR A 49 21.653 6.896 -1.180 1.00 34.45 O ATOM 817 CB TYR A 49 20.227 6.522 1.196 1.00 24.11 C ATOM 818 CG TYR A 49 19.161 6.406 2.287 1.00 54.33 C ATOM 819 CD1 TYR A 49 17.837 6.227 1.941 1.00 74.44 C ATOM 820 CD2 TYR A 49 19.522 6.482 3.616 1.00 20.24 C ATOM 821 CE1 TYR A 49 16.832 6.118 2.967 1.00 25.20 C ATOM 822 CE2 TYR A 49 18.518 6.373 4.643 1.00 70.12 C ATOM 823 CZ TYR A 49 17.223 6.196 4.267 1.00 13.35 C ATOM 824 OH TYR A 49 16.274 6.094 5.237 1.00 64.51 O ATOM 0 H TYR A 49 18.894 7.593 -1.027 1.00 65.54 H new ATOM 0 HA TYR A 49 20.466 8.701 1.224 1.00 52.42 H new ATOM 0 HB2 TYR A 49 20.041 5.760 0.439 1.00 24.11 H new ATOM 0 HB3 TYR A 49 21.203 6.307 1.632 1.00 24.11 H new ATOM 0 HD1 TYR A 49 17.554 6.169 0.900 1.00 74.44 H new ATOM 0 HD2 TYR A 49 20.558 6.623 3.887 1.00 20.24 H new ATOM 0 HE1 TYR A 49 15.792 5.978 2.710 1.00 25.20 H new ATOM 0 HE2 TYR A 49 18.787 6.430 5.687 1.00 70.12 H new ATOM 0 HH TYR A 49 15.713 6.897 5.231 1.00 64.51 H new ATOM 834 N LEU A 50 22.079 9.040 -0.600 1.00 72.31 N ATOM 835 CA LEU A 50 23.182 9.190 -1.534 1.00 31.40 C ATOM 836 C LEU A 50 24.432 8.529 -0.950 1.00 4.54 C ATOM 837 O LEU A 50 25.188 9.164 -0.216 1.00 4.23 O ATOM 838 CB LEU A 50 23.378 10.662 -1.900 1.00 12.21 C ATOM 839 CG LEU A 50 22.612 11.155 -3.129 1.00 52.51 C ATOM 840 CD1 LEU A 50 22.780 12.665 -3.311 1.00 4.23 C ATOM 841 CD2 LEU A 50 23.024 10.378 -4.381 1.00 4.13 C ATOM 0 H LEU A 50 21.877 9.870 -0.042 1.00 72.31 H new ATOM 0 HA LEU A 50 22.960 8.680 -2.471 1.00 31.40 H new ATOM 0 HB2 LEU A 50 23.084 11.271 -1.045 1.00 12.21 H new ATOM 0 HB3 LEU A 50 24.441 10.836 -2.065 1.00 12.21 H new ATOM 0 HG LEU A 50 21.551 10.966 -2.968 1.00 52.51 H new ATOM 0 HD11 LEU A 50 22.225 12.989 -4.192 1.00 4.23 H new ATOM 0 HD12 LEU A 50 22.398 13.182 -2.431 1.00 4.23 H new ATOM 0 HD13 LEU A 50 23.836 12.901 -3.440 1.00 4.23 H new ATOM 0 HD21 LEU A 50 22.464 10.749 -5.240 1.00 4.13 H new ATOM 0 HD22 LEU A 50 24.091 10.512 -4.558 1.00 4.13 H new ATOM 0 HD23 LEU A 50 22.810 9.319 -4.239 1.00 4.13 H new ATOM 853 N VAL A 51 24.612 7.264 -1.297 1.00 74.41 N ATOM 854 CA VAL A 51 25.757 6.511 -0.816 1.00 64.52 C ATOM 855 C VAL A 51 26.916 6.669 -1.802 1.00 65.44 C ATOM 856 O VAL A 51 26.759 6.419 -2.996 1.00 54.44 O ATOM 857 CB VAL A 51 25.364 5.050 -0.585 1.00 2.11 C ATOM 858 CG1 VAL A 51 26.402 4.333 0.280 1.00 4.14 C ATOM 859 CG2 VAL A 51 23.969 4.950 0.036 1.00 63.43 C ATOM 0 H VAL A 51 23.983 6.741 -1.906 1.00 74.41 H new ATOM 0 HA VAL A 51 26.092 6.899 0.146 1.00 64.52 H new ATOM 0 HB VAL A 51 25.336 4.553 -1.555 1.00 2.11 H new ATOM 0 HG11 VAL A 51 26.098 3.297 0.429 1.00 4.14 H new ATOM 0 HG12 VAL A 51 27.371 4.359 -0.218 1.00 4.14 H new ATOM 0 HG13 VAL A 51 26.477 4.831 1.246 1.00 4.14 H new ATOM 0 HG21 VAL A 51 23.714 3.902 0.190 1.00 63.43 H new ATOM 0 HG22 VAL A 51 23.959 5.470 0.994 1.00 63.43 H new ATOM 0 HG23 VAL A 51 23.239 5.407 -0.633 1.00 63.43 H new ATOM 869 N PRO A 52 28.086 7.093 -1.252 1.00 74.30 N ATOM 870 CA PRO A 52 29.271 7.287 -2.070 1.00 33.01 C ATOM 871 C PRO A 52 29.898 5.945 -2.454 1.00 0.32 C ATOM 872 O PRO A 52 29.474 4.897 -1.971 1.00 33.33 O ATOM 873 CB PRO A 52 30.192 8.154 -1.228 1.00 0.32 C ATOM 874 CG PRO A 52 29.692 8.028 0.202 1.00 32.10 C ATOM 875 CD PRO A 52 28.309 7.397 0.158 1.00 4.51 C ATOM 0 HA PRO A 52 29.051 7.770 -3.022 1.00 33.01 H new ATOM 0 HB2 PRO A 52 31.226 7.820 -1.311 1.00 0.32 H new ATOM 0 HB3 PRO A 52 30.164 9.191 -1.561 1.00 0.32 H new ATOM 0 HG2 PRO A 52 30.373 7.415 0.792 1.00 32.10 H new ATOM 0 HG3 PRO A 52 29.650 9.007 0.679 1.00 32.10 H new ATOM 0 HD2 PRO A 52 28.265 6.496 0.769 1.00 4.51 H new ATOM 0 HD3 PRO A 52 27.550 8.079 0.541 1.00 4.51 H new ATOM 883 N ALA A 53 30.899 6.022 -3.319 1.00 15.11 N ATOM 884 CA ALA A 53 31.589 4.827 -3.773 1.00 73.20 C ATOM 885 C ALA A 53 32.679 4.458 -2.764 1.00 55.25 C ATOM 886 O ALA A 53 33.485 3.564 -3.015 1.00 74.44 O ATOM 887 CB ALA A 53 32.149 5.063 -5.177 1.00 2.11 C ATOM 0 H ALA A 53 31.248 6.894 -3.717 1.00 15.11 H new ATOM 0 HA ALA A 53 30.899 3.985 -3.835 1.00 73.20 H new ATOM 0 HB1 ALA A 53 32.667 4.166 -5.518 1.00 2.11 H new ATOM 0 HB2 ALA A 53 31.332 5.292 -5.861 1.00 2.11 H new ATOM 0 HB3 ALA A 53 32.848 5.899 -5.154 1.00 2.11 H new ATOM 893 N ASP A 54 32.668 5.166 -1.645 1.00 10.52 N ATOM 894 CA ASP A 54 33.646 4.925 -0.597 1.00 75.02 C ATOM 895 C ASP A 54 32.945 4.311 0.616 1.00 11.15 C ATOM 896 O ASP A 54 33.589 3.694 1.463 1.00 22.31 O ATOM 897 CB ASP A 54 34.308 6.230 -0.151 1.00 20.22 C ATOM 898 CG ASP A 54 35.186 6.115 1.097 1.00 43.22 C ATOM 899 OD1 ASP A 54 35.246 7.038 1.922 1.00 5.35 O ATOM 900 OD2 ASP A 54 35.836 5.006 1.206 1.00 44.31 O ATOM 0 H ASP A 54 31.997 5.907 -1.440 1.00 10.52 H new ATOM 0 HA ASP A 54 34.407 4.252 -0.993 1.00 75.02 H new ATOM 0 HB2 ASP A 54 34.917 6.610 -0.971 1.00 20.22 H new ATOM 0 HB3 ASP A 54 33.529 6.969 0.038 1.00 20.22 H new ATOM 906 N LEU A 55 31.635 4.502 0.663 1.00 54.05 N ATOM 907 CA LEU A 55 30.840 3.975 1.759 1.00 75.25 C ATOM 908 C LEU A 55 30.611 2.477 1.543 1.00 52.53 C ATOM 909 O LEU A 55 30.654 1.996 0.412 1.00 54.04 O ATOM 910 CB LEU A 55 29.547 4.778 1.917 1.00 31.34 C ATOM 911 CG LEU A 55 28.748 4.517 3.196 1.00 2.01 C ATOM 912 CD1 LEU A 55 28.366 5.830 3.881 1.00 3.44 C ATOM 913 CD2 LEU A 55 27.525 3.643 2.910 1.00 4.02 C ATOM 0 H LEU A 55 31.104 5.015 -0.041 1.00 54.05 H new ATOM 0 HA LEU A 55 31.373 4.084 2.703 1.00 75.25 H new ATOM 0 HB2 LEU A 55 29.794 5.839 1.877 1.00 31.34 H new ATOM 0 HB3 LEU A 55 28.905 4.567 1.062 1.00 31.34 H new ATOM 0 HG LEU A 55 29.383 3.965 3.889 1.00 2.01 H new ATOM 0 HD11 LEU A 55 27.799 5.616 4.787 1.00 3.44 H new ATOM 0 HD12 LEU A 55 29.270 6.382 4.140 1.00 3.44 H new ATOM 0 HD13 LEU A 55 27.757 6.429 3.205 1.00 3.44 H new ATOM 0 HD21 LEU A 55 26.975 3.473 3.836 1.00 4.02 H new ATOM 0 HD22 LEU A 55 26.878 4.146 2.191 1.00 4.02 H new ATOM 0 HD23 LEU A 55 27.849 2.687 2.500 1.00 4.02 H new ATOM 925 N THR A 56 30.373 1.783 2.645 1.00 31.34 N ATOM 926 CA THR A 56 30.137 0.350 2.591 1.00 23.11 C ATOM 927 C THR A 56 28.713 0.026 3.046 1.00 0.02 C ATOM 928 O THR A 56 27.990 0.907 3.508 1.00 13.03 O ATOM 929 CB THR A 56 31.215 -0.339 3.431 1.00 10.51 C ATOM 930 OG1 THR A 56 30.793 -0.130 4.776 1.00 75.50 O ATOM 931 CG2 THR A 56 32.566 0.376 3.350 1.00 33.41 C ATOM 0 H THR A 56 30.338 2.186 3.581 1.00 31.34 H new ATOM 0 HA THR A 56 30.211 -0.024 1.570 1.00 23.11 H new ATOM 0 HB THR A 56 31.329 -1.371 3.099 1.00 10.51 H new ATOM 0 HG1 THR A 56 30.527 -0.986 5.172 1.00 75.50 H new ATOM 0 HG21 THR A 56 33.295 -0.153 3.964 1.00 33.41 H new ATOM 0 HG22 THR A 56 32.907 0.393 2.315 1.00 33.41 H new ATOM 0 HG23 THR A 56 32.459 1.398 3.714 1.00 33.41 H new ATOM 939 N VAL A 57 28.353 -1.240 2.899 1.00 32.54 N ATOM 940 CA VAL A 57 27.028 -1.692 3.290 1.00 52.24 C ATOM 941 C VAL A 57 26.802 -1.378 4.770 1.00 43.00 C ATOM 942 O VAL A 57 25.813 -0.742 5.130 1.00 41.54 O ATOM 943 CB VAL A 57 26.863 -3.177 2.961 1.00 22.14 C ATOM 944 CG1 VAL A 57 25.548 -3.720 3.524 1.00 24.42 C ATOM 945 CG2 VAL A 57 26.956 -3.419 1.454 1.00 51.05 C ATOM 0 H VAL A 57 28.956 -1.968 2.514 1.00 32.54 H new ATOM 0 HA VAL A 57 26.262 -1.161 2.725 1.00 52.24 H new ATOM 0 HB VAL A 57 27.680 -3.718 3.437 1.00 22.14 H new ATOM 0 HG11 VAL A 57 25.455 -4.777 3.276 1.00 24.42 H new ATOM 0 HG12 VAL A 57 25.538 -3.599 4.607 1.00 24.42 H new ATOM 0 HG13 VAL A 57 24.712 -3.171 3.090 1.00 24.42 H new ATOM 0 HG21 VAL A 57 26.835 -4.483 1.248 1.00 51.05 H new ATOM 0 HG22 VAL A 57 26.170 -2.860 0.947 1.00 51.05 H new ATOM 0 HG23 VAL A 57 27.929 -3.087 1.092 1.00 51.05 H new ATOM 955 N GLY A 58 27.736 -1.839 5.589 1.00 64.23 N ATOM 956 CA GLY A 58 27.652 -1.616 7.022 1.00 40.31 C ATOM 957 C GLY A 58 27.183 -0.192 7.328 1.00 11.03 C ATOM 958 O GLY A 58 26.128 0.002 7.931 1.00 62.24 O ATOM 0 H GLY A 58 28.555 -2.366 5.287 1.00 64.23 H new ATOM 0 HA2 GLY A 58 26.962 -2.333 7.466 1.00 40.31 H new ATOM 0 HA3 GLY A 58 28.627 -1.788 7.478 1.00 40.31 H new ATOM 962 N GLN A 59 27.989 0.768 6.899 1.00 25.35 N ATOM 963 CA GLN A 59 27.670 2.168 7.120 1.00 22.03 C ATOM 964 C GLN A 59 26.204 2.438 6.779 1.00 54.34 C ATOM 965 O GLN A 59 25.503 3.118 7.527 1.00 22.13 O ATOM 966 CB GLN A 59 28.598 3.076 6.311 1.00 1.10 C ATOM 967 CG GLN A 59 30.015 3.067 6.889 1.00 71.04 C ATOM 968 CD GLN A 59 30.139 4.051 8.053 1.00 14.43 C ATOM 969 OE1 GLN A 59 29.300 4.116 8.937 1.00 22.54 O ATOM 970 NE2 GLN A 59 31.228 4.813 8.005 1.00 62.41 N ATOM 0 H GLN A 59 28.863 0.604 6.399 1.00 25.35 H new ATOM 0 HA GLN A 59 27.825 2.394 8.175 1.00 22.03 H new ATOM 0 HB2 GLN A 59 28.623 2.744 5.273 1.00 1.10 H new ATOM 0 HB3 GLN A 59 28.208 4.094 6.311 1.00 1.10 H new ATOM 0 HG2 GLN A 59 30.266 2.062 7.229 1.00 71.04 H new ATOM 0 HG3 GLN A 59 30.731 3.328 6.110 1.00 71.04 H new ATOM 0 HE21 GLN A 59 31.891 4.708 7.237 1.00 62.41 H new ATOM 0 HE22 GLN A 59 31.401 5.503 8.736 1.00 62.41 H new ATOM 979 N PHE A 60 25.782 1.892 5.647 1.00 4.23 N ATOM 980 CA PHE A 60 24.412 2.066 5.197 1.00 13.03 C ATOM 981 C PHE A 60 23.421 1.580 6.257 1.00 11.42 C ATOM 982 O PHE A 60 22.347 2.158 6.420 1.00 43.44 O ATOM 983 CB PHE A 60 24.245 1.219 3.934 1.00 31.12 C ATOM 984 CG PHE A 60 23.128 1.700 3.006 1.00 71.34 C ATOM 985 CD1 PHE A 60 23.102 2.993 2.586 1.00 62.13 C ATOM 986 CD2 PHE A 60 22.161 0.834 2.600 1.00 32.41 C ATOM 987 CE1 PHE A 60 22.066 3.439 1.724 1.00 55.12 C ATOM 988 CE2 PHE A 60 21.124 1.280 1.738 1.00 23.33 C ATOM 989 CZ PHE A 60 21.098 2.573 1.318 1.00 25.03 C ATOM 0 H PHE A 60 26.366 1.329 5.028 1.00 4.23 H new ATOM 0 HA PHE A 60 24.213 3.121 5.009 1.00 13.03 H new ATOM 0 HB2 PHE A 60 25.186 1.217 3.383 1.00 31.12 H new ATOM 0 HB3 PHE A 60 24.044 0.188 4.224 1.00 31.12 H new ATOM 0 HD1 PHE A 60 23.870 3.681 2.908 1.00 62.13 H new ATOM 0 HD2 PHE A 60 22.182 -0.193 2.933 1.00 32.41 H new ATOM 0 HE1 PHE A 60 22.046 4.466 1.390 1.00 55.12 H new ATOM 0 HE2 PHE A 60 20.356 0.592 1.416 1.00 23.33 H new ATOM 0 HZ PHE A 60 20.310 2.912 0.663 1.00 25.03 H new ATOM 999 N VAL A 61 23.817 0.523 6.951 1.00 15.41 N ATOM 1000 CA VAL A 61 22.977 -0.046 7.991 1.00 74.51 C ATOM 1001 C VAL A 61 22.955 0.895 9.196 1.00 2.45 C ATOM 1002 O VAL A 61 22.091 0.779 10.064 1.00 25.04 O ATOM 1003 CB VAL A 61 23.461 -1.455 8.341 1.00 34.03 C ATOM 1004 CG1 VAL A 61 22.379 -2.236 9.090 1.00 0.13 C ATOM 1005 CG2 VAL A 61 23.911 -2.207 7.088 1.00 65.44 C ATOM 0 H VAL A 61 24.708 0.046 6.813 1.00 15.41 H new ATOM 0 HA VAL A 61 21.950 -0.147 7.640 1.00 74.51 H new ATOM 0 HB VAL A 61 24.323 -1.359 9.001 1.00 34.03 H new ATOM 0 HG11 VAL A 61 22.749 -3.234 9.327 1.00 0.13 H new ATOM 0 HG12 VAL A 61 22.127 -1.714 10.013 1.00 0.13 H new ATOM 0 HG13 VAL A 61 21.490 -2.317 8.464 1.00 0.13 H new ATOM 0 HG21 VAL A 61 24.250 -3.205 7.365 1.00 65.44 H new ATOM 0 HG22 VAL A 61 23.076 -2.287 6.392 1.00 65.44 H new ATOM 0 HG23 VAL A 61 24.728 -1.665 6.612 1.00 65.44 H new ATOM 1015 N TYR A 62 23.916 1.807 9.212 1.00 41.54 N ATOM 1016 CA TYR A 62 24.018 2.769 10.296 1.00 24.23 C ATOM 1017 C TYR A 62 23.065 3.946 10.078 1.00 65.33 C ATOM 1018 O TYR A 62 22.142 4.155 10.862 1.00 14.13 O ATOM 1019 CB TYR A 62 25.459 3.283 10.270 1.00 62.14 C ATOM 1020 CG TYR A 62 26.042 3.572 11.654 1.00 4.11 C ATOM 1021 CD1 TYR A 62 25.295 4.261 12.588 1.00 72.33 C ATOM 1022 CD2 TYR A 62 27.316 3.144 11.969 1.00 3.55 C ATOM 1023 CE1 TYR A 62 25.844 4.533 13.891 1.00 72.12 C ATOM 1024 CE2 TYR A 62 27.865 3.417 13.273 1.00 62.34 C ATOM 1025 CZ TYR A 62 27.102 4.098 14.169 1.00 71.51 C ATOM 1026 OH TYR A 62 27.620 4.355 15.400 1.00 64.43 O ATOM 0 H TYR A 62 24.631 1.900 8.491 1.00 41.54 H new ATOM 0 HA TYR A 62 23.757 2.304 11.247 1.00 24.23 H new ATOM 0 HB2 TYR A 62 26.087 2.547 9.769 1.00 62.14 H new ATOM 0 HB3 TYR A 62 25.498 4.194 9.673 1.00 62.14 H new ATOM 0 HD1 TYR A 62 24.298 4.596 12.341 1.00 72.33 H new ATOM 0 HD2 TYR A 62 27.901 2.605 11.239 1.00 3.55 H new ATOM 0 HE1 TYR A 62 25.270 5.070 14.631 1.00 72.12 H new ATOM 0 HE2 TYR A 62 28.860 3.088 13.533 1.00 62.34 H new ATOM 0 HH TYR A 62 28.526 3.985 15.458 1.00 64.43 H new ATOM 1036 N VAL A 63 23.323 4.683 9.008 1.00 51.34 N ATOM 1037 CA VAL A 63 22.500 5.834 8.676 1.00 74.32 C ATOM 1038 C VAL A 63 21.024 5.464 8.841 1.00 41.11 C ATOM 1039 O VAL A 63 20.289 6.137 9.561 1.00 13.23 O ATOM 1040 CB VAL A 63 22.838 6.331 7.269 1.00 75.22 C ATOM 1041 CG1 VAL A 63 24.277 6.844 7.200 1.00 63.34 C ATOM 1042 CG2 VAL A 63 22.595 5.236 6.228 1.00 55.34 C ATOM 0 H VAL A 63 24.090 4.506 8.360 1.00 51.34 H new ATOM 0 HA VAL A 63 22.707 6.660 9.356 1.00 74.32 H new ATOM 0 HB VAL A 63 22.174 7.165 7.039 1.00 75.22 H new ATOM 0 HG11 VAL A 63 24.491 7.191 6.189 1.00 63.34 H new ATOM 0 HG12 VAL A 63 24.403 7.669 7.901 1.00 63.34 H new ATOM 0 HG13 VAL A 63 24.963 6.038 7.460 1.00 63.34 H new ATOM 0 HG21 VAL A 63 22.843 5.615 5.237 1.00 55.34 H new ATOM 0 HG22 VAL A 63 23.222 4.374 6.454 1.00 55.34 H new ATOM 0 HG23 VAL A 63 21.547 4.938 6.251 1.00 55.34 H new ATOM 1052 N ILE A 64 20.635 4.395 8.162 1.00 43.25 N ATOM 1053 CA ILE A 64 19.261 3.928 8.224 1.00 72.12 C ATOM 1054 C ILE A 64 18.816 3.860 9.686 1.00 32.51 C ATOM 1055 O ILE A 64 17.837 4.497 10.071 1.00 32.12 O ATOM 1056 CB ILE A 64 19.111 2.603 7.473 1.00 54.53 C ATOM 1057 CG1 ILE A 64 18.771 2.844 6.000 1.00 23.32 C ATOM 1058 CG2 ILE A 64 18.084 1.698 8.157 1.00 3.32 C ATOM 1059 CD1 ILE A 64 20.024 2.751 5.127 1.00 40.13 C ATOM 0 H ILE A 64 21.248 3.839 7.566 1.00 43.25 H new ATOM 0 HA ILE A 64 18.597 4.630 7.720 1.00 72.12 H new ATOM 0 HB ILE A 64 20.069 2.083 7.503 1.00 54.53 H new ATOM 0 HG12 ILE A 64 18.036 2.110 5.668 1.00 23.32 H new ATOM 0 HG13 ILE A 64 18.315 3.827 5.884 1.00 23.32 H new ATOM 0 HG21 ILE A 64 17.997 0.763 7.603 1.00 3.32 H new ATOM 0 HG22 ILE A 64 18.407 1.487 9.176 1.00 3.32 H new ATOM 0 HG23 ILE A 64 17.116 2.198 8.179 1.00 3.32 H new ATOM 0 HD11 ILE A 64 19.755 2.926 4.085 1.00 40.13 H new ATOM 0 HD12 ILE A 64 20.747 3.502 5.446 1.00 40.13 H new ATOM 0 HD13 ILE A 64 20.464 1.759 5.226 1.00 40.13 H new ATOM 1071 N ARG A 65 19.556 3.081 10.461 1.00 64.31 N ATOM 1072 CA ARG A 65 19.250 2.921 11.872 1.00 24.33 C ATOM 1073 C ARG A 65 18.888 4.271 12.493 1.00 3.34 C ATOM 1074 O ARG A 65 18.139 4.330 13.467 1.00 25.14 O ATOM 1075 CB ARG A 65 20.437 2.321 12.629 1.00 44.13 C ATOM 1076 CG ARG A 65 20.012 1.825 14.012 1.00 1.33 C ATOM 1077 CD ARG A 65 20.873 0.642 14.459 1.00 2.34 C ATOM 1078 NE ARG A 65 20.926 -0.378 13.389 1.00 61.30 N ATOM 1079 CZ ARG A 65 21.906 -1.299 13.268 1.00 4.44 C ATOM 1080 NH1 ARG A 65 22.926 -1.334 14.153 1.00 53.20 N ATOM 1081 NH2 ARG A 65 21.854 -2.163 12.273 1.00 75.44 N ATOM 0 H ARG A 65 20.367 2.554 10.138 1.00 64.31 H new ATOM 0 HA ARG A 65 18.402 2.241 11.952 1.00 24.33 H new ATOM 0 HB2 ARG A 65 20.858 1.495 12.056 1.00 44.13 H new ATOM 0 HB3 ARG A 65 21.222 3.070 12.733 1.00 44.13 H new ATOM 0 HG2 ARG A 65 20.098 2.636 14.735 1.00 1.33 H new ATOM 0 HG3 ARG A 65 18.963 1.528 13.989 1.00 1.33 H new ATOM 0 HD2 ARG A 65 21.880 0.984 14.697 1.00 2.34 H new ATOM 0 HD3 ARG A 65 20.461 0.205 15.369 1.00 2.34 H new ATOM 0 HE ARG A 65 20.175 -0.386 12.699 1.00 61.30 H new ATOM 0 HH11 ARG A 65 22.960 -0.662 14.919 1.00 53.20 H new ATOM 0 HH12 ARG A 65 23.663 -2.033 14.055 1.00 53.20 H new ATOM 0 HH21 ARG A 65 21.081 -2.129 11.608 1.00 75.44 H new ATOM 0 HH22 ARG A 65 22.587 -2.865 12.168 1.00 75.44 H new ATOM 1094 N LYS A 66 19.437 5.324 11.904 1.00 30.43 N ATOM 1095 CA LYS A 66 19.181 6.670 12.388 1.00 62.24 C ATOM 1096 C LYS A 66 17.806 7.129 11.900 1.00 14.31 C ATOM 1097 O LYS A 66 17.009 7.651 12.679 1.00 23.22 O ATOM 1098 CB LYS A 66 20.321 7.609 11.987 1.00 71.43 C ATOM 1099 CG LYS A 66 21.682 6.967 12.262 1.00 3.14 C ATOM 1100 CD LYS A 66 21.690 6.258 13.618 1.00 74.51 C ATOM 1101 CE LYS A 66 21.320 7.224 14.745 1.00 50.23 C ATOM 1102 NZ LYS A 66 22.483 8.063 15.110 1.00 0.41 N ATOM 0 H LYS A 66 20.058 5.272 11.096 1.00 30.43 H new ATOM 0 HA LYS A 66 19.155 6.685 13.478 1.00 62.24 H new ATOM 0 HB2 LYS A 66 20.238 7.856 10.929 1.00 71.43 H new ATOM 0 HB3 LYS A 66 20.238 8.545 12.540 1.00 71.43 H new ATOM 0 HG2 LYS A 66 21.917 6.253 11.473 1.00 3.14 H new ATOM 0 HG3 LYS A 66 22.459 7.731 12.243 1.00 3.14 H new ATOM 0 HD2 LYS A 66 20.986 5.426 13.601 1.00 74.51 H new ATOM 0 HD3 LYS A 66 22.677 5.836 13.806 1.00 74.51 H new ATOM 0 HE2 LYS A 66 20.491 7.858 14.431 1.00 50.23 H new ATOM 0 HE3 LYS A 66 20.981 6.663 15.616 1.00 50.23 H new ATOM 0 HZ1 LYS A 66 22.215 8.713 15.876 1.00 0.41 H new ATOM 0 HZ2 LYS A 66 23.264 7.454 15.429 1.00 0.41 H new ATOM 0 HZ3 LYS A 66 22.789 8.612 14.281 1.00 0.41 H new ATOM 1115 N ARG A 67 17.569 6.919 10.614 1.00 55.03 N ATOM 1116 CA ARG A 67 16.303 7.305 10.013 1.00 10.11 C ATOM 1117 C ARG A 67 15.141 6.629 10.743 1.00 72.20 C ATOM 1118 O ARG A 67 14.026 7.148 10.757 1.00 74.45 O ATOM 1119 CB ARG A 67 16.257 6.924 8.532 1.00 22.31 C ATOM 1120 CG ARG A 67 16.722 8.086 7.652 1.00 20.20 C ATOM 1121 CD ARG A 67 15.536 8.942 7.203 1.00 61.23 C ATOM 1122 NE ARG A 67 15.579 10.259 7.876 1.00 52.10 N ATOM 1123 CZ ARG A 67 16.546 11.180 7.677 1.00 73.13 C ATOM 1124 NH1 ARG A 67 17.560 10.934 6.820 1.00 11.23 N ATOM 1125 NH2 ARG A 67 16.485 12.324 8.332 1.00 54.20 N ATOM 0 H ARG A 67 18.232 6.486 9.971 1.00 55.03 H new ATOM 0 HA ARG A 67 16.211 8.388 10.101 1.00 10.11 H new ATOM 0 HB2 ARG A 67 16.890 6.054 8.357 1.00 22.31 H new ATOM 0 HB3 ARG A 67 15.241 6.639 8.258 1.00 22.31 H new ATOM 0 HG2 ARG A 67 17.432 8.703 8.203 1.00 20.20 H new ATOM 0 HG3 ARG A 67 17.247 7.698 6.779 1.00 20.20 H new ATOM 0 HD2 ARG A 67 15.562 9.076 6.122 1.00 61.23 H new ATOM 0 HD3 ARG A 67 14.601 8.434 7.439 1.00 61.23 H new ATOM 0 HE ARG A 67 14.831 10.485 8.532 1.00 52.10 H new ATOM 0 HH11 ARG A 67 17.599 10.047 6.317 1.00 11.23 H new ATOM 0 HH12 ARG A 67 18.287 11.635 6.675 1.00 11.23 H new ATOM 0 HH21 ARG A 67 15.715 12.502 8.977 1.00 54.20 H new ATOM 0 HH22 ARG A 67 17.208 13.030 8.193 1.00 54.20 H new ATOM 1138 N ILE A 68 15.442 5.481 11.332 1.00 34.12 N ATOM 1139 CA ILE A 68 14.436 4.728 12.062 1.00 13.33 C ATOM 1140 C ILE A 68 14.706 4.847 13.564 1.00 63.35 C ATOM 1141 O ILE A 68 13.856 4.498 14.381 1.00 73.23 O ATOM 1142 CB ILE A 68 14.378 3.284 11.560 1.00 54.20 C ATOM 1143 CG1 ILE A 68 15.756 2.809 11.097 1.00 62.13 C ATOM 1144 CG2 ILE A 68 13.319 3.127 10.466 1.00 25.51 C ATOM 1145 CD1 ILE A 68 15.788 1.287 10.942 1.00 2.14 C ATOM 0 H ILE A 68 16.368 5.054 11.319 1.00 34.12 H new ATOM 0 HA ILE A 68 13.444 5.143 11.882 1.00 13.33 H new ATOM 0 HB ILE A 68 14.080 2.644 12.391 1.00 54.20 H new ATOM 0 HG12 ILE A 68 16.007 3.280 10.147 1.00 62.13 H new ATOM 0 HG13 ILE A 68 16.513 3.121 11.817 1.00 62.13 H new ATOM 0 HG21 ILE A 68 13.298 2.092 10.126 1.00 25.51 H new ATOM 0 HG22 ILE A 68 12.341 3.398 10.864 1.00 25.51 H new ATOM 0 HG23 ILE A 68 13.563 3.779 9.627 1.00 25.51 H new ATOM 0 HD11 ILE A 68 16.779 0.976 10.612 1.00 2.14 H new ATOM 0 HD12 ILE A 68 15.561 0.819 11.900 1.00 2.14 H new ATOM 0 HD13 ILE A 68 15.047 0.981 10.204 1.00 2.14 H new ATOM 1157 N MET A 69 15.894 5.340 13.881 1.00 2.11 N ATOM 1158 CA MET A 69 16.288 5.509 15.270 1.00 74.13 C ATOM 1159 C MET A 69 15.851 4.309 16.113 1.00 42.10 C ATOM 1160 O MET A 69 15.250 4.477 17.173 1.00 22.41 O ATOM 1161 CB MET A 69 15.653 6.784 15.829 1.00 61.12 C ATOM 1162 CG MET A 69 14.126 6.713 15.758 1.00 43.12 C ATOM 1163 SD MET A 69 13.409 8.076 16.660 1.00 3.11 S ATOM 1164 CE MET A 69 14.114 9.448 15.761 1.00 32.21 C ATOM 0 H MET A 69 16.597 5.628 13.200 1.00 2.11 H new ATOM 0 HA MET A 69 17.375 5.584 15.314 1.00 74.13 H new ATOM 0 HB2 MET A 69 15.966 6.927 16.863 1.00 61.12 H new ATOM 0 HB3 MET A 69 16.007 7.648 15.266 1.00 61.12 H new ATOM 0 HG2 MET A 69 13.800 6.743 14.718 1.00 43.12 H new ATOM 0 HG3 MET A 69 13.778 5.768 16.174 1.00 43.12 H new ATOM 0 HE1 MET A 69 13.511 10.340 15.927 1.00 32.21 H new ATOM 0 HE2 MET A 69 15.131 9.628 16.110 1.00 32.21 H new ATOM 0 HE3 MET A 69 14.132 9.215 14.696 1.00 32.21 H new ATOM 1174 N LEU A 70 16.171 3.126 15.610 1.00 34.44 N ATOM 1175 CA LEU A 70 15.819 1.898 16.304 1.00 1.22 C ATOM 1176 C LEU A 70 16.570 1.837 17.636 1.00 52.31 C ATOM 1177 O LEU A 70 17.530 2.577 17.846 1.00 52.11 O ATOM 1178 CB LEU A 70 16.064 0.685 15.404 1.00 14.23 C ATOM 1179 CG LEU A 70 14.885 0.249 14.532 1.00 71.03 C ATOM 1180 CD1 LEU A 70 15.356 -0.640 13.379 1.00 53.22 C ATOM 1181 CD2 LEU A 70 13.801 -0.429 15.373 1.00 65.14 C ATOM 0 H LEU A 70 16.670 2.991 14.731 1.00 34.44 H new ATOM 0 HA LEU A 70 14.754 1.884 16.537 1.00 1.22 H new ATOM 0 HB2 LEU A 70 16.910 0.905 14.753 1.00 14.23 H new ATOM 0 HB3 LEU A 70 16.356 -0.156 16.033 1.00 14.23 H new ATOM 0 HG LEU A 70 14.439 1.140 14.091 1.00 71.03 H new ATOM 0 HD11 LEU A 70 14.499 -0.936 12.774 1.00 53.22 H new ATOM 0 HD12 LEU A 70 16.064 -0.088 12.760 1.00 53.22 H new ATOM 0 HD13 LEU A 70 15.842 -1.529 13.780 1.00 53.22 H new ATOM 0 HD21 LEU A 70 12.975 -0.729 14.728 1.00 65.14 H new ATOM 0 HD22 LEU A 70 14.218 -1.309 15.862 1.00 65.14 H new ATOM 0 HD23 LEU A 70 13.437 0.268 16.128 1.00 65.14 H new ATOM 1193 N PRO A 71 16.092 0.925 18.524 1.00 13.11 N ATOM 1194 CA PRO A 71 16.707 0.758 19.830 1.00 70.03 C ATOM 1195 C PRO A 71 18.034 0.005 19.718 1.00 62.00 C ATOM 1196 O PRO A 71 18.272 -0.700 18.738 1.00 12.33 O ATOM 1197 CB PRO A 71 15.672 0.017 20.661 1.00 51.35 C ATOM 1198 CG PRO A 71 14.710 -0.610 19.665 1.00 72.30 C ATOM 1199 CD PRO A 71 14.957 0.032 18.310 1.00 72.03 C ATOM 0 HA PRO A 71 16.967 1.708 20.297 1.00 70.03 H new ATOM 0 HB2 PRO A 71 16.143 -0.745 21.282 1.00 51.35 H new ATOM 0 HB3 PRO A 71 15.150 0.698 21.333 1.00 51.35 H new ATOM 0 HG2 PRO A 71 14.865 -1.687 19.611 1.00 72.30 H new ATOM 0 HG3 PRO A 71 13.678 -0.452 19.980 1.00 72.30 H new ATOM 0 HD2 PRO A 71 15.181 -0.718 17.551 1.00 72.03 H new ATOM 0 HD3 PRO A 71 14.080 0.581 17.966 1.00 72.03 H new ATOM 1207 N PRO A 72 18.886 0.184 20.763 1.00 44.34 N ATOM 1208 CA PRO A 72 20.183 -0.470 20.791 1.00 24.02 C ATOM 1209 C PRO A 72 20.040 -1.958 21.119 1.00 50.34 C ATOM 1210 O PRO A 72 21.029 -2.688 21.152 1.00 3.21 O ATOM 1211 CB PRO A 72 20.986 0.293 21.833 1.00 71.34 C ATOM 1212 CG PRO A 72 19.968 1.042 22.676 1.00 12.44 C ATOM 1213 CD PRO A 72 18.639 1.012 21.940 1.00 73.51 C ATOM 0 HA PRO A 72 20.686 -0.448 19.824 1.00 24.02 H new ATOM 0 HB2 PRO A 72 21.576 -0.388 22.447 1.00 71.34 H new ATOM 0 HB3 PRO A 72 21.685 0.983 21.360 1.00 71.34 H new ATOM 0 HG2 PRO A 72 19.871 0.579 23.658 1.00 12.44 H new ATOM 0 HG3 PRO A 72 20.291 2.070 22.839 1.00 12.44 H new ATOM 0 HD2 PRO A 72 17.851 0.590 22.563 1.00 73.51 H new ATOM 0 HD3 PRO A 72 18.319 2.015 21.658 1.00 73.51 H new ATOM 1221 N GLU A 73 18.800 -2.363 21.352 1.00 42.32 N ATOM 1222 CA GLU A 73 18.515 -3.750 21.675 1.00 35.32 C ATOM 1223 C GLU A 73 18.023 -4.495 20.432 1.00 1.31 C ATOM 1224 O GLU A 73 17.958 -5.723 20.425 1.00 0.00 O ATOM 1225 CB GLU A 73 17.496 -3.850 22.812 1.00 12.42 C ATOM 1226 CG GLU A 73 16.071 -3.649 22.291 1.00 22.13 C ATOM 1227 CD GLU A 73 15.095 -3.409 23.444 1.00 14.32 C ATOM 1228 OE1 GLU A 73 14.928 -2.262 23.886 1.00 35.33 O ATOM 1229 OE2 GLU A 73 14.497 -4.465 23.882 1.00 53.14 O ATOM 0 H GLU A 73 17.982 -1.755 21.323 1.00 42.32 H new ATOM 0 HA GLU A 73 19.438 -4.220 22.015 1.00 35.32 H new ATOM 0 HB2 GLU A 73 17.577 -4.825 23.293 1.00 12.42 H new ATOM 0 HB3 GLU A 73 17.718 -3.100 23.571 1.00 12.42 H new ATOM 0 HG2 GLU A 73 16.046 -2.801 21.606 1.00 22.13 H new ATOM 0 HG3 GLU A 73 15.760 -4.526 21.723 1.00 22.13 H new ATOM 1237 N LYS A 74 17.690 -3.720 19.411 1.00 53.45 N ATOM 1238 CA LYS A 74 17.206 -4.290 18.165 1.00 61.32 C ATOM 1239 C LYS A 74 18.367 -4.399 17.174 1.00 20.43 C ATOM 1240 O LYS A 74 19.425 -3.807 17.384 1.00 35.21 O ATOM 1241 CB LYS A 74 16.018 -3.487 17.633 1.00 14.32 C ATOM 1242 CG LYS A 74 14.696 -4.052 18.156 1.00 35.03 C ATOM 1243 CD LYS A 74 13.567 -3.829 17.148 1.00 74.10 C ATOM 1244 CE LYS A 74 12.501 -4.920 17.268 1.00 71.20 C ATOM 1245 NZ LYS A 74 11.741 -4.766 18.529 1.00 52.15 N ATOM 0 H LYS A 74 17.746 -2.702 19.421 1.00 53.45 H new ATOM 0 HA LYS A 74 16.830 -5.300 18.330 1.00 61.32 H new ATOM 0 HB2 LYS A 74 16.116 -2.444 17.933 1.00 14.32 H new ATOM 0 HB3 LYS A 74 16.020 -3.506 16.543 1.00 14.32 H new ATOM 0 HG2 LYS A 74 14.805 -5.118 18.355 1.00 35.03 H new ATOM 0 HG3 LYS A 74 14.442 -3.576 19.103 1.00 35.03 H new ATOM 0 HD2 LYS A 74 13.113 -2.852 17.315 1.00 74.10 H new ATOM 0 HD3 LYS A 74 13.974 -3.823 16.137 1.00 74.10 H new ATOM 0 HE2 LYS A 74 11.821 -4.867 16.418 1.00 71.20 H new ATOM 0 HE3 LYS A 74 12.973 -5.902 17.238 1.00 71.20 H new ATOM 0 HZ1 LYS A 74 11.022 -5.514 18.594 1.00 52.15 H new ATOM 0 HZ2 LYS A 74 12.391 -4.839 19.337 1.00 52.15 H new ATOM 0 HZ3 LYS A 74 11.275 -3.836 18.542 1.00 52.15 H new ATOM 1258 N ALA A 75 18.131 -5.161 16.116 1.00 15.31 N ATOM 1259 CA ALA A 75 19.143 -5.355 15.092 1.00 24.15 C ATOM 1260 C ALA A 75 18.472 -5.399 13.718 1.00 12.14 C ATOM 1261 O ALA A 75 17.826 -6.386 13.370 1.00 31.24 O ATOM 1262 CB ALA A 75 19.937 -6.628 15.394 1.00 11.14 C ATOM 0 H ALA A 75 17.253 -5.652 15.946 1.00 15.31 H new ATOM 0 HA ALA A 75 19.848 -4.524 15.087 1.00 24.15 H new ATOM 0 HB1 ALA A 75 20.696 -6.774 14.626 1.00 11.14 H new ATOM 0 HB2 ALA A 75 20.419 -6.534 16.367 1.00 11.14 H new ATOM 0 HB3 ALA A 75 19.262 -7.484 15.404 1.00 11.14 H new ATOM 1268 N ILE A 76 18.647 -4.317 12.975 1.00 43.43 N ATOM 1269 CA ILE A 76 18.066 -4.219 11.646 1.00 4.04 C ATOM 1270 C ILE A 76 19.070 -4.740 10.616 1.00 42.31 C ATOM 1271 O ILE A 76 20.275 -4.539 10.762 1.00 61.55 O ATOM 1272 CB ILE A 76 17.590 -2.791 11.374 1.00 52.13 C ATOM 1273 CG1 ILE A 76 16.551 -2.765 10.251 1.00 50.44 C ATOM 1274 CG2 ILE A 76 18.772 -1.865 11.083 1.00 42.44 C ATOM 1275 CD1 ILE A 76 16.115 -1.331 9.940 1.00 25.20 C ATOM 0 H ILE A 76 19.183 -3.500 13.267 1.00 43.43 H new ATOM 0 HA ILE A 76 17.178 -4.846 11.571 1.00 4.04 H new ATOM 0 HB ILE A 76 17.102 -2.416 12.274 1.00 52.13 H new ATOM 0 HG12 ILE A 76 16.967 -3.225 9.355 1.00 50.44 H new ATOM 0 HG13 ILE A 76 15.683 -3.358 10.540 1.00 50.44 H new ATOM 0 HG21 ILE A 76 18.406 -0.856 10.893 1.00 42.44 H new ATOM 0 HG22 ILE A 76 19.444 -1.852 11.941 1.00 42.44 H new ATOM 0 HG23 ILE A 76 19.310 -2.226 10.207 1.00 42.44 H new ATOM 0 HD11 ILE A 76 15.376 -1.341 9.138 1.00 25.20 H new ATOM 0 HD12 ILE A 76 15.677 -0.882 10.832 1.00 25.20 H new ATOM 0 HD13 ILE A 76 16.981 -0.747 9.628 1.00 25.20 H new ATOM 1287 N PHE A 77 18.537 -5.398 9.597 1.00 14.23 N ATOM 1288 CA PHE A 77 19.371 -5.949 8.543 1.00 53.22 C ATOM 1289 C PHE A 77 19.030 -5.321 7.190 1.00 41.13 C ATOM 1290 O PHE A 77 17.969 -4.720 7.030 1.00 41.41 O ATOM 1291 CB PHE A 77 19.082 -7.450 8.482 1.00 13.13 C ATOM 1292 CG PHE A 77 19.538 -8.222 9.722 1.00 42.01 C ATOM 1293 CD1 PHE A 77 20.849 -8.551 9.874 1.00 71.24 C ATOM 1294 CD2 PHE A 77 18.633 -8.579 10.672 1.00 0.23 C ATOM 1295 CE1 PHE A 77 21.273 -9.268 11.024 1.00 14.41 C ATOM 1296 CE2 PHE A 77 19.057 -9.295 11.823 1.00 74.23 C ATOM 1297 CZ PHE A 77 20.367 -9.624 11.974 1.00 24.54 C ATOM 0 H PHE A 77 17.537 -5.562 9.479 1.00 14.23 H new ATOM 0 HA PHE A 77 20.421 -5.745 8.754 1.00 53.22 H new ATOM 0 HB2 PHE A 77 18.010 -7.598 8.348 1.00 13.13 H new ATOM 0 HB3 PHE A 77 19.574 -7.869 7.604 1.00 13.13 H new ATOM 0 HD1 PHE A 77 21.568 -8.267 9.120 1.00 71.24 H new ATOM 0 HD2 PHE A 77 17.592 -8.318 10.551 1.00 0.23 H new ATOM 0 HE1 PHE A 77 22.314 -9.530 11.144 1.00 14.41 H new ATOM 0 HE2 PHE A 77 18.339 -9.578 12.578 1.00 74.23 H new ATOM 0 HZ PHE A 77 20.689 -10.169 12.849 1.00 24.54 H new ATOM 1307 N ILE A 78 19.950 -5.482 6.250 1.00 22.21 N ATOM 1308 CA ILE A 78 19.761 -4.939 4.916 1.00 53.40 C ATOM 1309 C ILE A 78 19.766 -6.082 3.899 1.00 41.42 C ATOM 1310 O ILE A 78 20.686 -6.898 3.882 1.00 32.22 O ATOM 1311 CB ILE A 78 20.800 -3.853 4.627 1.00 34.30 C ATOM 1312 CG1 ILE A 78 20.999 -2.947 5.844 1.00 73.13 C ATOM 1313 CG2 ILE A 78 20.427 -3.058 3.374 1.00 3.53 C ATOM 1314 CD1 ILE A 78 19.710 -2.197 6.185 1.00 11.50 C ATOM 0 H ILE A 78 20.829 -5.981 6.386 1.00 22.21 H new ATOM 0 HA ILE A 78 18.791 -4.448 4.839 1.00 53.40 H new ATOM 0 HB ILE A 78 21.756 -4.338 4.428 1.00 34.30 H new ATOM 0 HG12 ILE A 78 21.313 -3.545 6.699 1.00 73.13 H new ATOM 0 HG13 ILE A 78 21.798 -2.233 5.644 1.00 73.13 H new ATOM 0 HG21 ILE A 78 21.181 -2.293 3.191 1.00 3.53 H new ATOM 0 HG22 ILE A 78 20.377 -3.731 2.518 1.00 3.53 H new ATOM 0 HG23 ILE A 78 19.457 -2.583 3.520 1.00 3.53 H new ATOM 0 HD11 ILE A 78 19.878 -1.560 7.053 1.00 11.50 H new ATOM 0 HD12 ILE A 78 19.412 -1.582 5.336 1.00 11.50 H new ATOM 0 HD13 ILE A 78 18.920 -2.914 6.409 1.00 11.50 H new ATOM 1326 N PHE A 79 18.729 -6.103 3.075 1.00 34.01 N ATOM 1327 CA PHE A 79 18.602 -7.132 2.057 1.00 22.33 C ATOM 1328 C PHE A 79 18.553 -6.516 0.658 1.00 61.34 C ATOM 1329 O PHE A 79 17.857 -5.527 0.435 1.00 5.52 O ATOM 1330 CB PHE A 79 17.287 -7.867 2.325 1.00 40.31 C ATOM 1331 CG PHE A 79 17.299 -8.723 3.593 1.00 42.01 C ATOM 1332 CD1 PHE A 79 17.064 -8.149 4.803 1.00 5.13 C ATOM 1333 CD2 PHE A 79 17.545 -10.058 3.510 1.00 51.05 C ATOM 1334 CE1 PHE A 79 17.076 -8.944 5.980 1.00 11.50 C ATOM 1335 CE2 PHE A 79 17.556 -10.853 4.686 1.00 3.44 C ATOM 1336 CZ PHE A 79 17.322 -10.279 5.897 1.00 54.42 C ATOM 0 H PHE A 79 17.968 -5.424 3.092 1.00 34.01 H new ATOM 0 HA PHE A 79 19.459 -7.804 2.099 1.00 22.33 H new ATOM 0 HB2 PHE A 79 16.483 -7.135 2.401 1.00 40.31 H new ATOM 0 HB3 PHE A 79 17.059 -8.505 1.471 1.00 40.31 H new ATOM 0 HD1 PHE A 79 16.868 -7.089 4.869 1.00 5.13 H new ATOM 0 HD2 PHE A 79 17.732 -10.514 2.549 1.00 51.05 H new ATOM 0 HE1 PHE A 79 16.890 -8.488 6.941 1.00 11.50 H new ATOM 0 HE2 PHE A 79 17.750 -11.913 4.619 1.00 3.44 H new ATOM 0 HZ PHE A 79 17.332 -10.883 6.792 1.00 54.42 H new ATOM 1346 N VAL A 80 19.300 -7.127 -0.250 1.00 25.53 N ATOM 1347 CA VAL A 80 19.351 -6.652 -1.622 1.00 11.54 C ATOM 1348 C VAL A 80 19.204 -7.839 -2.575 1.00 34.33 C ATOM 1349 O VAL A 80 19.790 -8.897 -2.349 1.00 74.12 O ATOM 1350 CB VAL A 80 20.637 -5.856 -1.853 1.00 1.35 C ATOM 1351 CG1 VAL A 80 21.840 -6.563 -1.225 1.00 72.43 C ATOM 1352 CG2 VAL A 80 20.866 -5.604 -3.344 1.00 54.32 C ATOM 0 H VAL A 80 19.875 -7.948 -0.062 1.00 25.53 H new ATOM 0 HA VAL A 80 18.523 -5.972 -1.821 1.00 11.54 H new ATOM 0 HB VAL A 80 20.524 -4.889 -1.364 1.00 1.35 H new ATOM 0 HG11 VAL A 80 22.741 -5.976 -1.404 1.00 72.43 H new ATOM 0 HG12 VAL A 80 21.682 -6.667 -0.152 1.00 72.43 H new ATOM 0 HG13 VAL A 80 21.956 -7.551 -1.672 1.00 72.43 H new ATOM 0 HG21 VAL A 80 21.787 -5.036 -3.480 1.00 54.32 H new ATOM 0 HG22 VAL A 80 20.947 -6.557 -3.866 1.00 54.32 H new ATOM 0 HG23 VAL A 80 20.028 -5.038 -3.750 1.00 54.32 H new ATOM 1362 N ASN A 81 18.418 -7.625 -3.620 1.00 12.24 N ATOM 1363 CA ASN A 81 18.186 -8.664 -4.608 1.00 22.52 C ATOM 1364 C ASN A 81 17.745 -9.947 -3.899 1.00 2.30 C ATOM 1365 O ASN A 81 17.998 -11.048 -4.386 1.00 14.30 O ATOM 1366 CB ASN A 81 19.463 -8.973 -5.392 1.00 71.13 C ATOM 1367 CG ASN A 81 19.522 -8.159 -6.686 1.00 51.51 C ATOM 1368 OD1 ASN A 81 19.651 -6.849 -6.495 1.00 1.51 O flip ATOM 1369 ND2 ASN A 81 19.455 -8.685 -7.785 1.00 54.32 N flip ATOM 0 H ASN A 81 17.934 -6.746 -3.804 1.00 12.24 H new ATOM 0 HA ASN A 81 17.417 -8.310 -5.295 1.00 22.52 H new ATOM 0 HB2 ASN A 81 20.335 -8.749 -4.777 1.00 71.13 H new ATOM 0 HB3 ASN A 81 19.502 -10.037 -5.625 1.00 71.13 H new ATOM 0 HD21 ASN A 81 19.356 -9.697 -7.861 1.00 54.32 H new ATOM 0 HD22 ASN A 81 19.498 -8.112 -8.628 1.00 54.32 H new ATOM 1376 N ASP A 82 17.094 -9.761 -2.760 1.00 62.31 N ATOM 1377 CA ASP A 82 16.616 -10.889 -1.979 1.00 72.53 C ATOM 1378 C ASP A 82 17.812 -11.652 -1.407 1.00 63.10 C ATOM 1379 O ASP A 82 17.773 -12.875 -1.285 1.00 73.54 O ATOM 1380 CB ASP A 82 15.809 -11.858 -2.847 1.00 44.52 C ATOM 1381 CG ASP A 82 14.916 -11.194 -3.897 1.00 41.02 C ATOM 1382 OD1 ASP A 82 15.159 -11.309 -5.108 1.00 23.34 O ATOM 1383 OD2 ASP A 82 13.920 -10.526 -3.422 1.00 50.00 O ATOM 0 H ASP A 82 16.886 -8.846 -2.359 1.00 62.31 H new ATOM 0 HA ASP A 82 15.980 -10.502 -1.183 1.00 72.53 H new ATOM 0 HB2 ASP A 82 16.501 -12.531 -3.353 1.00 44.52 H new ATOM 0 HB3 ASP A 82 15.185 -12.472 -2.197 1.00 44.52 H new ATOM 1389 N THR A 83 18.848 -10.898 -1.071 1.00 3.31 N ATOM 1390 CA THR A 83 20.054 -11.487 -0.514 1.00 62.34 C ATOM 1391 C THR A 83 20.538 -10.676 0.689 1.00 31.02 C ATOM 1392 O THR A 83 19.862 -9.747 1.128 1.00 1.30 O ATOM 1393 CB THR A 83 21.091 -11.589 -1.635 1.00 21.32 C ATOM 1394 OG1 THR A 83 21.876 -12.724 -1.279 1.00 4.33 O ATOM 1395 CG2 THR A 83 22.086 -10.427 -1.619 1.00 64.32 C ATOM 0 H THR A 83 18.877 -9.884 -1.174 1.00 3.31 H new ATOM 0 HA THR A 83 19.864 -12.491 -0.134 1.00 62.34 H new ATOM 0 HB THR A 83 20.583 -11.618 -2.599 1.00 21.32 H new ATOM 0 HG1 THR A 83 22.573 -12.864 -1.954 1.00 4.33 H new ATOM 0 HG21 THR A 83 22.800 -10.548 -2.434 1.00 64.32 H new ATOM 0 HG22 THR A 83 21.549 -9.487 -1.743 1.00 64.32 H new ATOM 0 HG23 THR A 83 22.619 -10.418 -0.668 1.00 64.32 H new ATOM 1403 N LEU A 84 21.704 -11.057 1.189 1.00 63.12 N ATOM 1404 CA LEU A 84 22.286 -10.377 2.333 1.00 5.42 C ATOM 1405 C LEU A 84 23.808 -10.339 2.179 1.00 42.02 C ATOM 1406 O LEU A 84 24.499 -11.277 2.572 1.00 20.52 O ATOM 1407 CB LEU A 84 21.816 -11.024 3.637 1.00 5.24 C ATOM 1408 CG LEU A 84 21.667 -10.085 4.836 1.00 10.03 C ATOM 1409 CD1 LEU A 84 20.231 -9.572 4.955 1.00 14.11 C ATOM 1410 CD2 LEU A 84 22.143 -10.760 6.124 1.00 32.22 C ATOM 0 H LEU A 84 22.262 -11.828 0.822 1.00 63.12 H new ATOM 0 HA LEU A 84 21.944 -9.343 2.376 1.00 5.42 H new ATOM 0 HB2 LEU A 84 20.855 -11.504 3.455 1.00 5.24 H new ATOM 0 HB3 LEU A 84 22.521 -11.812 3.903 1.00 5.24 H new ATOM 0 HG LEU A 84 22.306 -9.218 4.672 1.00 10.03 H new ATOM 0 HD11 LEU A 84 20.152 -8.907 5.815 1.00 14.11 H new ATOM 0 HD12 LEU A 84 19.963 -9.028 4.050 1.00 14.11 H new ATOM 0 HD13 LEU A 84 19.553 -10.415 5.085 1.00 14.11 H new ATOM 0 HD21 LEU A 84 22.026 -10.071 6.960 1.00 32.22 H new ATOM 0 HD22 LEU A 84 21.549 -11.656 6.306 1.00 32.22 H new ATOM 0 HD23 LEU A 84 23.193 -11.035 6.024 1.00 32.22 H new ATOM 1422 N PRO A 85 24.298 -9.215 1.590 1.00 65.41 N ATOM 1423 CA PRO A 85 25.726 -9.043 1.379 1.00 73.14 C ATOM 1424 C PRO A 85 26.438 -8.708 2.691 1.00 53.13 C ATOM 1425 O PRO A 85 25.791 -8.499 3.716 1.00 24.12 O ATOM 1426 CB PRO A 85 25.839 -7.937 0.342 1.00 62.41 C ATOM 1427 CG PRO A 85 24.502 -7.215 0.355 1.00 52.12 C ATOM 1428 CD PRO A 85 23.510 -8.084 1.111 1.00 2.54 C ATOM 0 HA PRO A 85 26.212 -9.953 1.027 1.00 73.14 H new ATOM 0 HB2 PRO A 85 26.654 -7.255 0.586 1.00 62.41 H new ATOM 0 HB3 PRO A 85 26.052 -8.347 -0.645 1.00 62.41 H new ATOM 0 HG2 PRO A 85 24.599 -6.241 0.834 1.00 52.12 H new ATOM 0 HG3 PRO A 85 24.155 -7.036 -0.663 1.00 52.12 H new ATOM 0 HD2 PRO A 85 23.056 -7.539 1.939 1.00 2.54 H new ATOM 0 HD3 PRO A 85 22.698 -8.413 0.463 1.00 2.54 H new ATOM 1436 N PRO A 86 27.795 -8.666 2.614 1.00 51.34 N ATOM 1437 CA PRO A 86 28.602 -8.359 3.782 1.00 33.35 C ATOM 1438 C PRO A 86 28.540 -6.867 4.116 1.00 73.31 C ATOM 1439 O PRO A 86 28.014 -6.075 3.336 1.00 40.41 O ATOM 1440 CB PRO A 86 30.003 -8.831 3.428 1.00 35.02 C ATOM 1441 CG PRO A 86 30.030 -8.956 1.914 1.00 53.05 C ATOM 1442 CD PRO A 86 28.594 -8.908 1.416 1.00 2.41 C ATOM 0 HA PRO A 86 28.244 -8.858 4.683 1.00 33.35 H new ATOM 0 HB2 PRO A 86 30.754 -8.121 3.775 1.00 35.02 H new ATOM 0 HB3 PRO A 86 30.225 -9.787 3.903 1.00 35.02 H new ATOM 0 HG2 PRO A 86 30.614 -8.147 1.475 1.00 53.05 H new ATOM 0 HG3 PRO A 86 30.506 -9.890 1.617 1.00 53.05 H new ATOM 0 HD2 PRO A 86 28.456 -8.115 0.681 1.00 2.41 H new ATOM 0 HD3 PRO A 86 28.311 -9.843 0.933 1.00 2.41 H new ATOM 1450 N THR A 87 29.084 -6.530 5.276 1.00 50.33 N ATOM 1451 CA THR A 87 29.097 -5.147 5.722 1.00 43.12 C ATOM 1452 C THR A 87 30.315 -4.415 5.154 1.00 20.12 C ATOM 1453 O THR A 87 30.335 -3.186 5.098 1.00 21.53 O ATOM 1454 CB THR A 87 29.044 -5.143 7.251 1.00 42.12 C ATOM 1455 OG1 THR A 87 29.446 -3.823 7.609 1.00 62.52 O ATOM 1456 CG2 THR A 87 30.114 -6.041 7.876 1.00 13.22 C ATOM 0 H THR A 87 29.519 -7.190 5.920 1.00 50.33 H new ATOM 0 HA THR A 87 28.228 -4.603 5.351 1.00 43.12 H new ATOM 0 HB THR A 87 28.058 -5.470 7.581 1.00 42.12 H new ATOM 0 HG1 THR A 87 29.438 -3.732 8.585 1.00 62.52 H new ATOM 0 HG21 THR A 87 30.033 -6.002 8.962 1.00 13.22 H new ATOM 0 HG22 THR A 87 29.971 -7.067 7.538 1.00 13.22 H new ATOM 0 HG23 THR A 87 31.102 -5.694 7.574 1.00 13.22 H new ATOM 1464 N ALA A 88 31.301 -5.201 4.747 1.00 30.02 N ATOM 1465 CA ALA A 88 32.520 -4.643 4.186 1.00 74.21 C ATOM 1466 C ALA A 88 32.306 -4.357 2.698 1.00 1.42 C ATOM 1467 O ALA A 88 32.942 -3.466 2.136 1.00 23.43 O ATOM 1468 CB ALA A 88 33.683 -5.606 4.433 1.00 10.31 C ATOM 0 H ALA A 88 31.281 -6.220 4.795 1.00 30.02 H new ATOM 0 HA ALA A 88 32.769 -3.699 4.671 1.00 74.21 H new ATOM 0 HB1 ALA A 88 34.597 -5.188 4.012 1.00 10.31 H new ATOM 0 HB2 ALA A 88 33.811 -5.754 5.505 1.00 10.31 H new ATOM 0 HB3 ALA A 88 33.470 -6.563 3.958 1.00 10.31 H new ATOM 1474 N ALA A 89 31.408 -5.128 2.103 1.00 44.14 N ATOM 1475 CA ALA A 89 31.103 -4.968 0.691 1.00 30.11 C ATOM 1476 C ALA A 89 31.011 -3.477 0.359 1.00 31.42 C ATOM 1477 O ALA A 89 30.287 -2.734 1.020 1.00 72.22 O ATOM 1478 CB ALA A 89 29.812 -5.720 0.359 1.00 4.05 C ATOM 0 H ALA A 89 30.882 -5.865 2.572 1.00 44.14 H new ATOM 0 HA ALA A 89 31.896 -5.394 0.076 1.00 30.11 H new ATOM 0 HB1 ALA A 89 29.583 -5.600 -0.700 1.00 4.05 H new ATOM 0 HB2 ALA A 89 29.939 -6.779 0.585 1.00 4.05 H new ATOM 0 HB3 ALA A 89 28.993 -5.318 0.955 1.00 4.05 H new ATOM 1484 N LEU A 90 31.755 -3.085 -0.664 1.00 41.42 N ATOM 1485 CA LEU A 90 31.767 -1.696 -1.092 1.00 14.13 C ATOM 1486 C LEU A 90 30.506 -1.408 -1.909 1.00 72.02 C ATOM 1487 O LEU A 90 30.205 -2.121 -2.865 1.00 61.41 O ATOM 1488 CB LEU A 90 33.066 -1.374 -1.832 1.00 3.10 C ATOM 1489 CG LEU A 90 33.703 -0.020 -1.512 1.00 54.32 C ATOM 1490 CD1 LEU A 90 32.653 0.975 -1.012 1.00 61.31 C ATOM 1491 CD2 LEU A 90 34.860 -0.177 -0.524 1.00 33.43 C ATOM 0 H LEU A 90 32.354 -3.705 -1.209 1.00 41.42 H new ATOM 0 HA LEU A 90 31.747 -1.031 -0.228 1.00 14.13 H new ATOM 0 HB2 LEU A 90 33.791 -2.156 -1.609 1.00 3.10 H new ATOM 0 HB3 LEU A 90 32.871 -1.417 -2.903 1.00 3.10 H new ATOM 0 HG LEU A 90 34.120 0.387 -2.433 1.00 54.32 H new ATOM 0 HD11 LEU A 90 33.132 1.929 -0.792 1.00 61.31 H new ATOM 0 HD12 LEU A 90 31.893 1.119 -1.780 1.00 61.31 H new ATOM 0 HD13 LEU A 90 32.185 0.586 -0.107 1.00 61.31 H new ATOM 0 HD21 LEU A 90 35.294 0.800 -0.314 1.00 33.43 H new ATOM 0 HD22 LEU A 90 34.490 -0.616 0.403 1.00 33.43 H new ATOM 0 HD23 LEU A 90 35.621 -0.827 -0.955 1.00 33.43 H new ATOM 1503 N MET A 91 29.802 -0.361 -1.503 1.00 61.42 N ATOM 1504 CA MET A 91 28.581 0.030 -2.186 1.00 74.41 C ATOM 1505 C MET A 91 28.837 0.269 -3.675 1.00 64.54 C ATOM 1506 O MET A 91 27.902 0.298 -4.473 1.00 72.45 O ATOM 1507 CB MET A 91 28.028 1.307 -1.552 1.00 14.42 C ATOM 1508 CG MET A 91 27.768 1.110 -0.057 1.00 24.41 C ATOM 1509 SD MET A 91 26.712 -0.306 0.197 1.00 33.34 S ATOM 1510 CE MET A 91 25.278 0.206 -0.734 1.00 73.20 C ATOM 0 H MET A 91 30.054 0.228 -0.710 1.00 61.42 H new ATOM 0 HA MET A 91 27.857 -0.779 -2.087 1.00 74.41 H new ATOM 0 HB2 MET A 91 28.734 2.124 -1.697 1.00 14.42 H new ATOM 0 HB3 MET A 91 27.102 1.593 -2.051 1.00 14.42 H new ATOM 0 HG2 MET A 91 28.712 0.969 0.469 1.00 24.41 H new ATOM 0 HG3 MET A 91 27.301 2.002 0.360 1.00 24.41 H new ATOM 0 HE1 MET A 91 24.406 -0.353 -0.395 1.00 73.20 H new ATOM 0 HE2 MET A 91 25.108 1.272 -0.583 1.00 73.20 H new ATOM 0 HE3 MET A 91 25.444 0.012 -1.794 1.00 73.20 H new ATOM 1520 N SER A 92 30.110 0.433 -4.005 1.00 0.52 N ATOM 1521 CA SER A 92 30.502 0.669 -5.384 1.00 73.01 C ATOM 1522 C SER A 92 30.460 -0.643 -6.171 1.00 4.41 C ATOM 1523 O SER A 92 29.922 -0.691 -7.276 1.00 31.23 O ATOM 1524 CB SER A 92 31.897 1.291 -5.462 1.00 24.22 C ATOM 1525 OG SER A 92 32.872 0.502 -4.784 1.00 72.13 O ATOM 0 H SER A 92 30.883 0.407 -3.341 1.00 0.52 H new ATOM 0 HA SER A 92 29.796 1.373 -5.825 1.00 73.01 H new ATOM 0 HB2 SER A 92 32.185 1.405 -6.507 1.00 24.22 H new ATOM 0 HB3 SER A 92 31.873 2.290 -5.027 1.00 24.22 H new ATOM 0 HG SER A 92 33.750 0.932 -4.858 1.00 72.13 H new ATOM 1531 N ALA A 93 31.036 -1.674 -5.571 1.00 4.21 N ATOM 1532 CA ALA A 93 31.072 -2.982 -6.202 1.00 22.34 C ATOM 1533 C ALA A 93 29.700 -3.646 -6.068 1.00 22.15 C ATOM 1534 O ALA A 93 29.326 -4.478 -6.892 1.00 61.34 O ATOM 1535 CB ALA A 93 32.189 -3.820 -5.576 1.00 20.40 C ATOM 0 H ALA A 93 31.482 -1.630 -4.655 1.00 4.21 H new ATOM 0 HA ALA A 93 31.291 -2.889 -7.266 1.00 22.34 H new ATOM 0 HB1 ALA A 93 32.216 -4.802 -6.049 1.00 20.40 H new ATOM 0 HB2 ALA A 93 33.146 -3.319 -5.724 1.00 20.40 H new ATOM 0 HB3 ALA A 93 32.002 -3.937 -4.509 1.00 20.40 H new ATOM 1541 N ILE A 94 28.988 -3.253 -5.022 1.00 12.10 N ATOM 1542 CA ILE A 94 27.665 -3.799 -4.769 1.00 63.33 C ATOM 1543 C ILE A 94 26.688 -3.264 -5.818 1.00 63.52 C ATOM 1544 O ILE A 94 26.100 -4.036 -6.574 1.00 43.05 O ATOM 1545 CB ILE A 94 27.236 -3.517 -3.328 1.00 74.42 C ATOM 1546 CG1 ILE A 94 28.143 -4.244 -2.333 1.00 72.33 C ATOM 1547 CG2 ILE A 94 25.760 -3.865 -3.118 1.00 43.41 C ATOM 1548 CD1 ILE A 94 27.879 -5.751 -2.350 1.00 74.22 C ATOM 0 H ILE A 94 29.302 -2.563 -4.340 1.00 12.10 H new ATOM 0 HA ILE A 94 27.675 -4.885 -4.867 1.00 63.33 H new ATOM 0 HB ILE A 94 27.346 -2.449 -3.142 1.00 74.42 H new ATOM 0 HG12 ILE A 94 29.187 -4.051 -2.579 1.00 72.33 H new ATOM 0 HG13 ILE A 94 27.975 -3.853 -1.329 1.00 72.33 H new ATOM 0 HG21 ILE A 94 25.480 -3.655 -2.086 1.00 43.41 H new ATOM 0 HG22 ILE A 94 25.146 -3.265 -3.789 1.00 43.41 H new ATOM 0 HG23 ILE A 94 25.602 -4.923 -3.329 1.00 43.41 H new ATOM 0 HD11 ILE A 94 28.537 -6.244 -1.634 1.00 74.22 H new ATOM 0 HD12 ILE A 94 26.840 -5.942 -2.079 1.00 74.22 H new ATOM 0 HD13 ILE A 94 28.072 -6.143 -3.349 1.00 74.22 H new ATOM 1560 N TYR A 95 26.545 -1.947 -5.830 1.00 63.41 N ATOM 1561 CA TYR A 95 25.650 -1.300 -6.774 1.00 34.32 C ATOM 1562 C TYR A 95 26.068 -1.593 -8.216 1.00 44.30 C ATOM 1563 O TYR A 95 25.281 -1.411 -9.144 1.00 4.13 O ATOM 1564 CB TYR A 95 25.776 0.202 -6.513 1.00 63.11 C ATOM 1565 CG TYR A 95 25.170 1.077 -7.611 1.00 54.35 C ATOM 1566 CD1 TYR A 95 23.824 1.383 -7.586 1.00 32.02 C ATOM 1567 CD2 TYR A 95 25.968 1.561 -8.628 1.00 12.31 C ATOM 1568 CE1 TYR A 95 23.253 2.207 -8.620 1.00 32.14 C ATOM 1569 CE2 TYR A 95 25.397 2.385 -9.662 1.00 13.34 C ATOM 1570 CZ TYR A 95 24.067 2.667 -9.606 1.00 44.44 C ATOM 1571 OH TYR A 95 23.528 3.446 -10.583 1.00 21.52 O ATOM 0 H TYR A 95 27.034 -1.310 -5.201 1.00 63.41 H new ATOM 0 HA TYR A 95 24.630 -1.662 -6.646 1.00 34.32 H new ATOM 0 HB2 TYR A 95 25.291 0.438 -5.566 1.00 63.11 H new ATOM 0 HB3 TYR A 95 26.831 0.454 -6.402 1.00 63.11 H new ATOM 0 HD1 TYR A 95 23.199 1.004 -6.791 1.00 32.02 H new ATOM 0 HD2 TYR A 95 27.021 1.322 -8.648 1.00 12.31 H new ATOM 0 HE1 TYR A 95 22.202 2.454 -8.612 1.00 32.14 H new ATOM 0 HE2 TYR A 95 26.010 2.770 -10.463 1.00 13.34 H new ATOM 0 HH TYR A 95 22.595 3.185 -10.732 1.00 21.52 H new ATOM 1581 N GLN A 96 27.307 -2.041 -8.360 1.00 11.14 N ATOM 1582 CA GLN A 96 27.840 -2.360 -9.673 1.00 73.32 C ATOM 1583 C GLN A 96 27.232 -3.666 -10.189 1.00 62.23 C ATOM 1584 O GLN A 96 26.935 -3.790 -11.376 1.00 61.24 O ATOM 1585 CB GLN A 96 29.367 -2.441 -9.640 1.00 61.54 C ATOM 1586 CG GLN A 96 29.996 -1.167 -10.207 1.00 63.23 C ATOM 1587 CD GLN A 96 31.431 -0.994 -9.706 1.00 25.50 C ATOM 1588 OE1 GLN A 96 31.814 0.040 -9.184 1.00 33.22 O ATOM 1589 NE2 GLN A 96 32.202 -2.062 -9.893 1.00 21.20 N ATOM 0 H GLN A 96 27.957 -2.190 -7.588 1.00 11.14 H new ATOM 0 HA GLN A 96 27.567 -1.559 -10.359 1.00 73.32 H new ATOM 0 HB2 GLN A 96 29.705 -2.592 -8.615 1.00 61.54 H new ATOM 0 HB3 GLN A 96 29.702 -3.304 -10.216 1.00 61.54 H new ATOM 0 HG2 GLN A 96 29.990 -1.208 -11.296 1.00 63.23 H new ATOM 0 HG3 GLN A 96 29.399 -0.302 -9.917 1.00 63.23 H new ATOM 0 HE21 GLN A 96 31.818 -2.897 -10.337 1.00 21.20 H new ATOM 0 HE22 GLN A 96 33.177 -2.046 -9.593 1.00 21.20 H new ATOM 1598 N GLU A 97 27.066 -4.607 -9.272 1.00 34.43 N ATOM 1599 CA GLU A 97 26.499 -5.899 -9.619 1.00 71.43 C ATOM 1600 C GLU A 97 25.039 -5.978 -9.168 1.00 1.44 C ATOM 1601 O GLU A 97 24.361 -6.973 -9.417 1.00 51.12 O ATOM 1602 CB GLU A 97 27.321 -7.039 -9.015 1.00 64.33 C ATOM 1603 CG GLU A 97 28.714 -7.104 -9.645 1.00 43.21 C ATOM 1604 CD GLU A 97 29.483 -8.331 -9.152 1.00 32.43 C ATOM 1605 OE1 GLU A 97 29.863 -8.392 -7.973 1.00 21.20 O ATOM 1606 OE2 GLU A 97 29.681 -9.245 -10.041 1.00 53.40 O ATOM 0 H GLU A 97 27.314 -4.501 -8.288 1.00 34.43 H new ATOM 0 HA GLU A 97 26.530 -6.007 -10.703 1.00 71.43 H new ATOM 0 HB2 GLU A 97 27.411 -6.896 -7.938 1.00 64.33 H new ATOM 0 HB3 GLU A 97 26.804 -7.986 -9.169 1.00 64.33 H new ATOM 0 HG2 GLU A 97 28.624 -7.139 -10.731 1.00 43.21 H new ATOM 0 HG3 GLU A 97 29.270 -6.199 -9.400 1.00 43.21 H new ATOM 1614 N HIS A 98 24.599 -4.915 -8.511 1.00 14.34 N ATOM 1615 CA HIS A 98 23.232 -4.851 -8.022 1.00 13.52 C ATOM 1616 C HIS A 98 22.417 -3.897 -8.899 1.00 24.05 C ATOM 1617 O HIS A 98 21.215 -4.084 -9.075 1.00 74.50 O ATOM 1618 CB HIS A 98 23.202 -4.466 -6.541 1.00 72.12 C ATOM 1619 CG HIS A 98 23.483 -5.615 -5.603 1.00 33.34 C ATOM 1620 ND1 HIS A 98 22.533 -6.570 -5.281 1.00 4.43 N ATOM 1621 CD2 HIS A 98 24.615 -5.953 -4.922 1.00 21.44 C ATOM 1622 CE1 HIS A 98 23.080 -7.437 -4.442 1.00 64.43 C ATOM 1623 NE2 HIS A 98 24.370 -7.054 -4.221 1.00 3.45 N ATOM 0 H HIS A 98 25.165 -4.091 -8.306 1.00 14.34 H new ATOM 0 HA HIS A 98 22.771 -5.836 -8.091 1.00 13.52 H new ATOM 0 HB2 HIS A 98 23.936 -3.679 -6.366 1.00 72.12 H new ATOM 0 HB3 HIS A 98 22.224 -4.048 -6.304 1.00 72.12 H new ATOM 0 HD1 HIS A 98 21.575 -6.601 -5.630 1.00 4.43 H new ATOM 0 HD2 HIS A 98 25.552 -5.416 -4.948 1.00 21.44 H new ATOM 0 HE1 HIS A 98 22.590 -8.297 -4.009 1.00 64.43 H new ATOM 1631 N LYS A 99 23.106 -2.895 -9.425 1.00 11.22 N ATOM 1632 CA LYS A 99 22.462 -1.911 -10.279 1.00 32.51 C ATOM 1633 C LYS A 99 21.470 -2.618 -11.205 1.00 33.32 C ATOM 1634 O LYS A 99 21.784 -3.661 -11.777 1.00 51.43 O ATOM 1635 CB LYS A 99 23.509 -1.078 -11.021 1.00 32.23 C ATOM 1636 CG LYS A 99 22.931 -0.494 -12.312 1.00 30.54 C ATOM 1637 CD LYS A 99 23.175 -1.433 -13.495 1.00 71.00 C ATOM 1638 CE LYS A 99 24.583 -1.245 -14.063 1.00 0.31 C ATOM 1639 NZ LYS A 99 24.608 -1.572 -15.506 1.00 71.21 N ATOM 0 H LYS A 99 24.104 -2.743 -9.276 1.00 11.22 H new ATOM 0 HA LYS A 99 21.891 -1.202 -9.680 1.00 32.51 H new ATOM 0 HB2 LYS A 99 23.859 -0.271 -10.378 1.00 32.23 H new ATOM 0 HB3 LYS A 99 24.374 -1.699 -11.254 1.00 32.23 H new ATOM 0 HG2 LYS A 99 21.861 -0.325 -12.192 1.00 30.54 H new ATOM 0 HG3 LYS A 99 23.386 0.476 -12.513 1.00 30.54 H new ATOM 0 HD2 LYS A 99 23.043 -2.467 -13.176 1.00 71.00 H new ATOM 0 HD3 LYS A 99 22.436 -1.242 -14.274 1.00 71.00 H new ATOM 0 HE2 LYS A 99 24.908 -0.216 -13.912 1.00 0.31 H new ATOM 0 HE3 LYS A 99 25.286 -1.883 -13.527 1.00 0.31 H new ATOM 0 HZ1 LYS A 99 25.571 -1.439 -15.875 1.00 71.21 H new ATOM 0 HZ2 LYS A 99 24.318 -2.561 -15.643 1.00 71.21 H new ATOM 0 HZ3 LYS A 99 23.952 -0.946 -16.015 1.00 71.21 H new ATOM 1652 N ASP A 100 20.292 -2.023 -11.323 1.00 2.31 N ATOM 1653 CA ASP A 100 19.252 -2.582 -12.169 1.00 61.15 C ATOM 1654 C ASP A 100 19.177 -1.784 -13.473 1.00 22.22 C ATOM 1655 O ASP A 100 19.932 -0.832 -13.666 1.00 74.11 O ATOM 1656 CB ASP A 100 17.885 -2.503 -11.487 1.00 51.04 C ATOM 1657 CG ASP A 100 16.880 -3.569 -11.928 1.00 31.32 C ATOM 1658 OD1 ASP A 100 15.718 -3.264 -12.235 1.00 41.30 O ATOM 1659 OD2 ASP A 100 17.338 -4.775 -11.949 1.00 3.12 O ATOM 0 H ASP A 100 20.035 -1.159 -10.846 1.00 2.31 H new ATOM 0 HA ASP A 100 19.499 -3.626 -12.361 1.00 61.15 H new ATOM 0 HB2 ASP A 100 18.028 -2.584 -10.409 1.00 51.04 H new ATOM 0 HB3 ASP A 100 17.456 -1.519 -11.679 1.00 51.04 H new ATOM 1665 N LYS A 101 18.260 -2.202 -14.333 1.00 44.11 N ATOM 1666 CA LYS A 101 18.077 -1.538 -15.613 1.00 21.14 C ATOM 1667 C LYS A 101 17.542 -0.124 -15.377 1.00 31.33 C ATOM 1668 O LYS A 101 17.598 0.721 -16.268 1.00 51.41 O ATOM 1669 CB LYS A 101 17.195 -2.384 -16.534 1.00 2.35 C ATOM 1670 CG LYS A 101 17.970 -3.582 -17.086 1.00 41.33 C ATOM 1671 CD LYS A 101 17.363 -4.066 -18.405 1.00 23.13 C ATOM 1672 CE LYS A 101 18.413 -4.773 -19.264 1.00 60.14 C ATOM 1673 NZ LYS A 101 17.796 -5.314 -20.496 1.00 54.30 N ATOM 0 H LYS A 101 17.636 -2.992 -14.169 1.00 44.11 H new ATOM 0 HA LYS A 101 19.031 -1.436 -16.130 1.00 21.14 H new ATOM 0 HB2 LYS A 101 16.320 -2.734 -15.986 1.00 2.35 H new ATOM 0 HB3 LYS A 101 16.830 -1.771 -17.358 1.00 2.35 H new ATOM 0 HG2 LYS A 101 19.013 -3.305 -17.241 1.00 41.33 H new ATOM 0 HG3 LYS A 101 17.960 -4.393 -16.358 1.00 41.33 H new ATOM 0 HD2 LYS A 101 16.536 -4.747 -18.201 1.00 23.13 H new ATOM 0 HD3 LYS A 101 16.951 -3.218 -18.952 1.00 23.13 H new ATOM 0 HE2 LYS A 101 19.208 -4.075 -19.525 1.00 60.14 H new ATOM 0 HE3 LYS A 101 18.873 -5.581 -18.695 1.00 60.14 H new ATOM 0 HZ1 LYS A 101 18.522 -5.791 -21.068 1.00 54.30 H new ATOM 0 HZ2 LYS A 101 17.053 -5.996 -20.242 1.00 54.30 H new ATOM 0 HZ3 LYS A 101 17.378 -4.536 -21.046 1.00 54.30 H new ATOM 1686 N ASP A 102 17.035 0.089 -14.171 1.00 60.42 N ATOM 1687 CA ASP A 102 16.490 1.385 -13.807 1.00 2.43 C ATOM 1688 C ASP A 102 17.623 2.291 -13.318 1.00 32.50 C ATOM 1689 O ASP A 102 17.469 3.510 -13.266 1.00 64.14 O ATOM 1690 CB ASP A 102 15.468 1.255 -12.676 1.00 52.21 C ATOM 1691 CG ASP A 102 14.660 -0.044 -12.681 1.00 71.22 C ATOM 1692 OD1 ASP A 102 14.588 -0.756 -11.668 1.00 40.51 O ATOM 1693 OD2 ASP A 102 14.080 -0.321 -13.800 1.00 22.21 O ATOM 0 H ASP A 102 16.991 -0.615 -13.434 1.00 60.42 H new ATOM 0 HA ASP A 102 16.003 1.805 -14.687 1.00 2.43 H new ATOM 0 HB2 ASP A 102 15.991 1.336 -11.723 1.00 52.21 H new ATOM 0 HB3 ASP A 102 14.776 2.096 -12.733 1.00 52.21 H new ATOM 1699 N GLY A 103 18.735 1.659 -12.972 1.00 34.34 N ATOM 1700 CA GLY A 103 19.893 2.392 -12.489 1.00 34.32 C ATOM 1701 C GLY A 103 19.936 2.403 -10.959 1.00 53.35 C ATOM 1702 O GLY A 103 20.908 1.949 -10.359 1.00 3.22 O ATOM 0 H GLY A 103 18.859 0.647 -13.017 1.00 34.34 H new ATOM 0 HA2 GLY A 103 20.804 1.938 -12.879 1.00 34.32 H new ATOM 0 HA3 GLY A 103 19.862 3.415 -12.863 1.00 34.32 H new ATOM 1706 N PHE A 104 18.869 2.927 -10.373 1.00 43.32 N ATOM 1707 CA PHE A 104 18.773 3.004 -8.925 1.00 41.04 C ATOM 1708 C PHE A 104 19.105 1.656 -8.282 1.00 1.34 C ATOM 1709 O PHE A 104 19.317 0.666 -8.980 1.00 13.10 O ATOM 1710 CB PHE A 104 17.326 3.372 -8.592 1.00 50.33 C ATOM 1711 CG PHE A 104 17.117 4.856 -8.282 1.00 21.13 C ATOM 1712 CD1 PHE A 104 17.484 5.356 -7.071 1.00 64.53 C ATOM 1713 CD2 PHE A 104 16.564 5.675 -9.216 1.00 62.11 C ATOM 1714 CE1 PHE A 104 17.291 6.732 -6.783 1.00 54.31 C ATOM 1715 CE2 PHE A 104 16.370 7.052 -8.928 1.00 23.21 C ATOM 1716 CZ PHE A 104 16.738 7.551 -7.717 1.00 54.44 C ATOM 0 H PHE A 104 18.064 3.302 -10.875 1.00 43.32 H new ATOM 0 HA PHE A 104 19.479 3.742 -8.543 1.00 41.04 H new ATOM 0 HB2 PHE A 104 16.689 3.093 -9.431 1.00 50.33 H new ATOM 0 HB3 PHE A 104 17.000 2.783 -7.735 1.00 50.33 H new ATOM 0 HD1 PHE A 104 17.922 4.705 -6.329 1.00 64.53 H new ATOM 0 HD2 PHE A 104 16.272 5.278 -10.177 1.00 62.11 H new ATOM 0 HE1 PHE A 104 17.583 7.129 -5.822 1.00 54.31 H new ATOM 0 HE2 PHE A 104 15.931 7.703 -9.670 1.00 23.21 H new ATOM 0 HZ PHE A 104 16.591 8.598 -7.497 1.00 54.44 H new ATOM 1726 N LEU A 105 19.140 1.662 -6.957 1.00 62.12 N ATOM 1727 CA LEU A 105 19.443 0.452 -6.211 1.00 52.24 C ATOM 1728 C LEU A 105 18.257 0.105 -5.309 1.00 22.41 C ATOM 1729 O LEU A 105 17.795 0.942 -4.536 1.00 13.03 O ATOM 1730 CB LEU A 105 20.766 0.604 -5.458 1.00 14.12 C ATOM 1731 CG LEU A 105 21.595 -0.671 -5.295 1.00 62.22 C ATOM 1732 CD1 LEU A 105 21.794 -1.371 -6.641 1.00 22.10 C ATOM 1733 CD2 LEU A 105 22.926 -0.375 -4.601 1.00 1.30 C ATOM 0 H LEU A 105 18.964 2.485 -6.381 1.00 62.12 H new ATOM 0 HA LEU A 105 19.585 -0.389 -6.889 1.00 52.24 H new ATOM 0 HB2 LEU A 105 21.374 1.345 -5.977 1.00 14.12 H new ATOM 0 HB3 LEU A 105 20.553 1.004 -4.467 1.00 14.12 H new ATOM 0 HG LEU A 105 21.043 -1.357 -4.653 1.00 62.22 H new ATOM 0 HD11 LEU A 105 22.387 -2.274 -6.497 1.00 22.10 H new ATOM 0 HD12 LEU A 105 20.823 -1.636 -7.060 1.00 22.10 H new ATOM 0 HD13 LEU A 105 22.314 -0.701 -7.326 1.00 22.10 H new ATOM 0 HD21 LEU A 105 23.496 -1.298 -4.498 1.00 1.30 H new ATOM 0 HD22 LEU A 105 23.496 0.338 -5.196 1.00 1.30 H new ATOM 0 HD23 LEU A 105 22.736 0.046 -3.614 1.00 1.30 H new ATOM 1745 N TYR A 106 17.799 -1.132 -5.437 1.00 44.03 N ATOM 1746 CA TYR A 106 16.677 -1.601 -4.643 1.00 14.41 C ATOM 1747 C TYR A 106 17.158 -2.409 -3.437 1.00 30.35 C ATOM 1748 O TYR A 106 17.801 -3.446 -3.596 1.00 42.50 O ATOM 1749 CB TYR A 106 15.862 -2.513 -5.561 1.00 70.55 C ATOM 1750 CG TYR A 106 15.161 -1.779 -6.706 1.00 61.11 C ATOM 1751 CD1 TYR A 106 15.904 -1.234 -7.733 1.00 50.45 C ATOM 1752 CD2 TYR A 106 13.786 -1.662 -6.711 1.00 50.03 C ATOM 1753 CE1 TYR A 106 15.244 -0.542 -8.811 1.00 23.42 C ATOM 1754 CE2 TYR A 106 13.126 -0.971 -7.789 1.00 3.24 C ATOM 1755 CZ TYR A 106 13.888 -0.445 -8.785 1.00 60.12 C ATOM 1756 OH TYR A 106 13.265 0.208 -9.803 1.00 20.33 O ATOM 0 H TYR A 106 18.185 -1.824 -6.079 1.00 44.03 H new ATOM 0 HA TYR A 106 16.095 -0.759 -4.267 1.00 14.41 H new ATOM 0 HB2 TYR A 106 16.522 -3.273 -5.980 1.00 70.55 H new ATOM 0 HB3 TYR A 106 15.113 -3.035 -4.965 1.00 70.55 H new ATOM 0 HD1 TYR A 106 16.980 -1.326 -7.729 1.00 50.45 H new ATOM 0 HD2 TYR A 106 13.205 -2.088 -5.907 1.00 50.03 H new ATOM 0 HE1 TYR A 106 15.813 -0.110 -9.621 1.00 23.42 H new ATOM 0 HE2 TYR A 106 12.051 -0.873 -7.806 1.00 3.24 H new ATOM 0 HH TYR A 106 13.278 -0.352 -10.607 1.00 20.33 H new ATOM 1766 N VAL A 107 16.828 -1.905 -2.257 1.00 0.04 N ATOM 1767 CA VAL A 107 17.219 -2.567 -1.024 1.00 33.52 C ATOM 1768 C VAL A 107 16.091 -2.434 0.001 1.00 11.35 C ATOM 1769 O VAL A 107 15.297 -1.496 -0.062 1.00 61.34 O ATOM 1770 CB VAL A 107 18.550 -2.002 -0.525 1.00 62.22 C ATOM 1771 CG1 VAL A 107 18.683 -0.519 -0.877 1.00 75.34 C ATOM 1772 CG2 VAL A 107 18.711 -2.225 0.980 1.00 50.10 C ATOM 0 H VAL A 107 16.294 -1.046 -2.129 1.00 0.04 H new ATOM 0 HA VAL A 107 17.378 -3.631 -1.196 1.00 33.52 H new ATOM 0 HB VAL A 107 19.352 -2.539 -1.031 1.00 62.22 H new ATOM 0 HG11 VAL A 107 19.638 -0.142 -0.511 1.00 75.34 H new ATOM 0 HG12 VAL A 107 18.635 -0.396 -1.959 1.00 75.34 H new ATOM 0 HG13 VAL A 107 17.870 0.040 -0.412 1.00 75.34 H new ATOM 0 HG21 VAL A 107 19.666 -1.814 1.309 1.00 50.10 H new ATOM 0 HG22 VAL A 107 17.899 -1.727 1.510 1.00 50.10 H new ATOM 0 HG23 VAL A 107 18.683 -3.293 1.195 1.00 50.10 H new ATOM 1782 N THR A 108 16.056 -3.385 0.923 1.00 3.10 N ATOM 1783 CA THR A 108 15.039 -3.385 1.961 1.00 70.15 C ATOM 1784 C THR A 108 15.575 -4.044 3.233 1.00 70.42 C ATOM 1785 O THR A 108 16.219 -5.090 3.170 1.00 25.22 O ATOM 1786 CB THR A 108 13.792 -4.071 1.400 1.00 72.33 C ATOM 1787 OG1 THR A 108 13.225 -3.100 0.525 1.00 41.04 O ATOM 1788 CG2 THR A 108 12.714 -4.288 2.464 1.00 40.11 C ATOM 0 H THR A 108 16.716 -4.161 0.973 1.00 3.10 H new ATOM 0 HA THR A 108 14.767 -2.369 2.249 1.00 70.15 H new ATOM 0 HB THR A 108 14.071 -5.031 0.965 1.00 72.33 H new ATOM 0 HG1 THR A 108 13.779 -2.291 0.531 1.00 41.04 H new ATOM 0 HG21 THR A 108 11.851 -4.778 2.013 1.00 40.11 H new ATOM 0 HG22 THR A 108 13.111 -4.915 3.262 1.00 40.11 H new ATOM 0 HG23 THR A 108 12.411 -3.326 2.876 1.00 40.11 H new ATOM 1796 N TYR A 109 15.289 -3.406 4.358 1.00 53.43 N ATOM 1797 CA TYR A 109 15.734 -3.917 5.643 1.00 51.01 C ATOM 1798 C TYR A 109 14.554 -4.447 6.461 1.00 42.04 C ATOM 1799 O TYR A 109 13.400 -4.291 6.065 1.00 61.43 O ATOM 1800 CB TYR A 109 16.355 -2.727 6.378 1.00 71.42 C ATOM 1801 CG TYR A 109 15.483 -1.470 6.375 1.00 61.21 C ATOM 1802 CD1 TYR A 109 14.254 -1.481 7.003 1.00 22.13 C ATOM 1803 CD2 TYR A 109 15.925 -0.325 5.744 1.00 62.20 C ATOM 1804 CE1 TYR A 109 13.434 -0.298 7.001 1.00 53.23 C ATOM 1805 CE2 TYR A 109 15.105 0.858 5.741 1.00 13.13 C ATOM 1806 CZ TYR A 109 13.899 0.813 6.370 1.00 44.42 C ATOM 1807 OH TYR A 109 13.124 1.931 6.367 1.00 24.03 O ATOM 0 H TYR A 109 14.754 -2.539 4.406 1.00 53.43 H new ATOM 0 HA TYR A 109 16.438 -4.738 5.507 1.00 51.01 H new ATOM 0 HB2 TYR A 109 16.556 -3.015 7.410 1.00 71.42 H new ATOM 0 HB3 TYR A 109 17.316 -2.491 5.920 1.00 71.42 H new ATOM 0 HD1 TYR A 109 13.908 -2.377 7.496 1.00 22.13 H new ATOM 0 HD2 TYR A 109 16.887 -0.317 5.252 1.00 62.20 H new ATOM 0 HE1 TYR A 109 12.471 -0.293 7.490 1.00 53.23 H new ATOM 0 HE2 TYR A 109 15.439 1.761 5.251 1.00 13.13 H new ATOM 0 HH TYR A 109 12.554 1.936 7.164 1.00 24.03 H new ATOM 1817 N SER A 110 14.885 -5.062 7.586 1.00 31.24 N ATOM 1818 CA SER A 110 13.867 -5.616 8.463 1.00 22.13 C ATOM 1819 C SER A 110 14.441 -5.820 9.867 1.00 14.01 C ATOM 1820 O SER A 110 15.450 -6.502 10.036 1.00 31.52 O ATOM 1821 CB SER A 110 13.327 -6.938 7.914 1.00 54.43 C ATOM 1822 OG SER A 110 14.362 -7.897 7.716 1.00 14.02 O ATOM 0 H SER A 110 15.843 -5.189 7.911 1.00 31.24 H new ATOM 0 HA SER A 110 13.039 -4.909 8.514 1.00 22.13 H new ATOM 0 HB2 SER A 110 12.586 -7.342 8.604 1.00 54.43 H new ATOM 0 HB3 SER A 110 12.816 -6.756 6.969 1.00 54.43 H new ATOM 0 HG SER A 110 14.825 -8.059 8.565 1.00 14.02 H new ATOM 1828 N GLY A 111 13.772 -5.216 10.838 1.00 0.52 N ATOM 1829 CA GLY A 111 14.202 -5.322 12.222 1.00 64.11 C ATOM 1830 C GLY A 111 14.655 -6.747 12.547 1.00 5.01 C ATOM 1831 O GLY A 111 15.493 -6.951 13.425 1.00 50.24 O ATOM 0 H GLY A 111 12.935 -4.651 10.694 1.00 0.52 H new ATOM 0 HA2 GLY A 111 15.020 -4.625 12.407 1.00 64.11 H new ATOM 0 HA3 GLY A 111 13.384 -5.037 12.884 1.00 64.11 H new ATOM 1835 N GLU A 112 14.082 -7.696 11.822 1.00 32.01 N ATOM 1836 CA GLU A 112 14.416 -9.096 12.022 1.00 2.14 C ATOM 1837 C GLU A 112 15.122 -9.655 10.786 1.00 70.34 C ATOM 1838 O GLU A 112 14.971 -9.123 9.687 1.00 64.22 O ATOM 1839 CB GLU A 112 13.168 -9.915 12.359 1.00 5.20 C ATOM 1840 CG GLU A 112 13.547 -11.258 12.987 1.00 10.30 C ATOM 1841 CD GLU A 112 12.447 -11.752 13.929 1.00 70.04 C ATOM 1842 OE1 GLU A 112 11.255 -11.578 13.635 1.00 71.12 O ATOM 1843 OE2 GLU A 112 12.868 -12.337 14.999 1.00 55.31 O ATOM 0 H GLU A 112 13.388 -7.523 11.095 1.00 32.01 H new ATOM 0 HA GLU A 112 15.098 -9.169 12.869 1.00 2.14 H new ATOM 0 HB2 GLU A 112 12.535 -9.354 13.046 1.00 5.20 H new ATOM 0 HB3 GLU A 112 12.584 -10.084 11.454 1.00 5.20 H new ATOM 0 HG2 GLU A 112 13.717 -11.995 12.202 1.00 10.30 H new ATOM 0 HG3 GLU A 112 14.483 -11.156 13.537 1.00 10.30 H new ATOM 1851 N ASN A 113 15.877 -10.721 11.006 1.00 62.30 N ATOM 1852 CA ASN A 113 16.607 -11.359 9.923 1.00 54.41 C ATOM 1853 C ASN A 113 15.689 -12.356 9.213 1.00 31.23 C ATOM 1854 O ASN A 113 15.951 -13.558 9.218 1.00 35.03 O ATOM 1855 CB ASN A 113 17.819 -12.126 10.453 1.00 65.25 C ATOM 1856 CG ASN A 113 18.874 -12.308 9.359 1.00 51.32 C ATOM 1857 OD1 ASN A 113 18.877 -13.277 8.618 1.00 53.01 O ATOM 1858 ND2 ASN A 113 19.767 -11.324 9.300 1.00 53.35 N ATOM 0 H ASN A 113 15.999 -11.160 11.919 1.00 62.30 H new ATOM 0 HA ASN A 113 16.944 -10.580 9.239 1.00 54.41 H new ATOM 0 HB2 ASN A 113 18.253 -11.589 11.296 1.00 65.25 H new ATOM 0 HB3 ASN A 113 17.503 -13.101 10.824 1.00 65.25 H new ATOM 0 HD21 ASN A 113 20.512 -11.352 8.604 1.00 53.35 H new ATOM 0 HD22 ASN A 113 19.707 -10.541 9.951 1.00 53.35 H new ATOM 1865 N THR A 114 14.632 -11.821 8.620 1.00 42.31 N ATOM 1866 CA THR A 114 13.674 -12.649 7.907 1.00 2.14 C ATOM 1867 C THR A 114 13.824 -12.459 6.397 1.00 44.32 C ATOM 1868 O THR A 114 13.983 -11.335 5.922 1.00 71.33 O ATOM 1869 CB THR A 114 12.276 -12.308 8.427 1.00 41.12 C ATOM 1870 OG1 THR A 114 12.308 -10.895 8.607 1.00 11.31 O ATOM 1871 CG2 THR A 114 12.023 -12.857 9.832 1.00 24.23 C ATOM 0 H THR A 114 14.418 -10.824 8.619 1.00 42.31 H new ATOM 0 HA THR A 114 13.855 -13.709 8.088 1.00 2.14 H new ATOM 0 HB THR A 114 11.527 -12.706 7.742 1.00 41.12 H new ATOM 0 HG1 THR A 114 11.439 -10.588 8.941 1.00 11.31 H new ATOM 0 HG21 THR A 114 11.017 -12.587 10.153 1.00 24.23 H new ATOM 0 HG22 THR A 114 12.121 -13.943 9.822 1.00 24.23 H new ATOM 0 HG23 THR A 114 12.751 -12.434 10.525 1.00 24.23 H new ATOM 1879 N PHE A 115 13.769 -13.574 5.684 1.00 61.01 N ATOM 1880 CA PHE A 115 13.897 -13.544 4.237 1.00 70.42 C ATOM 1881 C PHE A 115 12.527 -13.641 3.563 1.00 14.41 C ATOM 1882 O PHE A 115 12.435 -13.688 2.337 1.00 24.14 O ATOM 1883 CB PHE A 115 14.735 -14.760 3.837 1.00 61.21 C ATOM 1884 CG PHE A 115 16.145 -14.766 4.430 1.00 25.11 C ATOM 1885 CD1 PHE A 115 16.346 -15.200 5.703 1.00 13.35 C ATOM 1886 CD2 PHE A 115 17.199 -14.338 3.684 1.00 52.20 C ATOM 1887 CE1 PHE A 115 17.655 -15.205 6.254 1.00 33.21 C ATOM 1888 CE2 PHE A 115 18.508 -14.343 4.235 1.00 73.45 C ATOM 1889 CZ PHE A 115 18.708 -14.777 5.508 1.00 40.11 C ATOM 0 H PHE A 115 13.638 -14.504 6.081 1.00 61.01 H new ATOM 0 HA PHE A 115 14.361 -12.609 3.924 1.00 70.42 H new ATOM 0 HB2 PHE A 115 14.216 -15.665 4.151 1.00 61.21 H new ATOM 0 HB3 PHE A 115 14.809 -14.796 2.750 1.00 61.21 H new ATOM 0 HD1 PHE A 115 15.510 -15.541 6.295 1.00 13.35 H new ATOM 0 HD2 PHE A 115 17.040 -13.994 2.673 1.00 52.20 H new ATOM 0 HE1 PHE A 115 17.814 -15.549 7.265 1.00 33.21 H new ATOM 0 HE2 PHE A 115 19.344 -14.002 3.643 1.00 73.45 H new ATOM 0 HZ PHE A 115 19.704 -14.782 5.927 1.00 40.11 H new ATOM 1899 N GLY A 116 11.495 -13.667 4.394 1.00 52.51 N ATOM 1900 CA GLY A 116 10.133 -13.756 3.894 1.00 65.20 C ATOM 1901 C GLY A 116 9.533 -15.133 4.183 1.00 34.34 C ATOM 1902 O GLY A 116 10.256 -16.076 4.500 1.00 3.04 O ATOM 0 H GLY A 116 11.575 -13.628 5.410 1.00 52.51 H new ATOM 0 HA2 GLY A 116 9.520 -12.983 4.358 1.00 65.20 H new ATOM 0 HA3 GLY A 116 10.123 -13.569 2.820 1.00 65.20 H new TER 1906 GLY A 116