USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 31 GLN :FLIP amide:sc= 0.551 F(o=-0.11,f=1.2) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= 0.616 F(o=0,f=1.2) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 GLN : amide:sc= 0.128 X(o=0.13,f=0.56) USER MOD Set 2.3: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 10 SER OG : rot -80:sc= -0.111 USER MOD Set 3.2: A 66 ASN :FLIP amide:sc= -0.966 F(o=-2.5!,f=-1.1) USER MOD Set 4.1: A 5 GLN : amide:sc= -1.27! C(o=-0.67!,f=-5!) USER MOD Set 4.2: A 72 THR OG1 : rot 3:sc= 0.6 USER MOD Set 5.1: A 3 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.91) USER MOD Set 5.2: A 74 THR OG1 : rot -159:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.43! C(o=-2.4!,f=-7.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0191 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 12:sc= 0.299 USER MOD Single : A 38 ASN : amide:sc=-0.00176 X(o=-0.0018,f=-0.12) USER MOD Single : A 47 SER OG : rot 45:sc= 0.588 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0137) USER MOD Single : A 51 ASN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 0:sc= 0.292 USER MOD Single : A 79 HIS : no HD1:sc=-0.00497 X(o=-0.005,f=-0.2) USER MOD Single : A 80 HIS : no HD1:sc= -0.248 X(o=-0.25,f=0.039) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.167 K(o=0.17,f=-0.63) USER MOD Single : A 84 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.541 11.151 -18.019 1.00 13.13 N ATOM 2 CA MET A 1 -0.274 11.482 -17.313 1.00 64.24 C ATOM 3 C MET A 1 0.572 10.210 -17.136 1.00 74.31 C ATOM 4 O MET A 1 1.599 10.041 -17.805 1.00 71.34 O ATOM 5 CB MET A 1 -0.566 12.163 -15.943 1.00 62.22 C ATOM 6 CG MET A 1 0.686 12.444 -15.085 1.00 45.54 C ATOM 7 SD MET A 1 1.931 13.426 -15.953 1.00 14.11 S ATOM 8 CE MET A 1 3.210 13.578 -14.711 1.00 45.33 C ATOM 0 H1 MET A 1 -2.109 12.014 -18.136 1.00 13.13 H new ATOM 0 H2 MET A 1 -1.323 10.751 -18.954 1.00 13.13 H new ATOM 0 H3 MET A 1 -2.078 10.456 -17.461 1.00 13.13 H new ATOM 0 HA MET A 1 0.293 12.192 -17.916 1.00 64.24 H new ATOM 0 HB2 MET A 1 -1.085 13.104 -16.123 1.00 62.22 H new ATOM 0 HB3 MET A 1 -1.245 11.528 -15.374 1.00 62.22 H new ATOM 0 HG2 MET A 1 0.387 12.967 -14.177 1.00 45.54 H new ATOM 0 HG3 MET A 1 1.128 11.497 -14.777 1.00 45.54 H new ATOM 0 HE1 MET A 1 4.039 14.161 -15.112 1.00 45.33 H new ATOM 0 HE2 MET A 1 2.806 14.080 -13.832 1.00 45.33 H new ATOM 0 HE3 MET A 1 3.565 12.586 -14.432 1.00 45.33 H new ATOM 20 N GLY A 2 0.124 9.310 -16.239 1.00 74.31 N ATOM 21 CA GLY A 2 0.836 8.065 -15.963 1.00 33.34 C ATOM 22 C GLY A 2 0.197 7.266 -14.839 1.00 23.14 C ATOM 23 O GLY A 2 -0.949 7.514 -14.454 1.00 45.34 O ATOM 0 H GLY A 2 -0.731 9.431 -15.696 1.00 74.31 H new ATOM 0 HA2 GLY A 2 0.862 7.457 -16.867 1.00 33.34 H new ATOM 0 HA3 GLY A 2 1.870 8.292 -15.701 1.00 33.34 H new ATOM 27 N GLN A 3 0.950 6.284 -14.334 1.00 24.21 N ATOM 28 CA GLN A 3 0.539 5.414 -13.216 1.00 41.53 C ATOM 29 C GLN A 3 1.052 6.004 -11.884 1.00 61.23 C ATOM 30 O GLN A 3 2.156 6.553 -11.830 1.00 23.24 O ATOM 31 CB GLN A 3 1.126 3.999 -13.454 1.00 72.00 C ATOM 32 CG GLN A 3 0.916 2.981 -12.315 1.00 10.15 C ATOM 33 CD GLN A 3 1.714 1.696 -12.537 1.00 71.54 C ATOM 34 OE1 GLN A 3 1.236 0.756 -13.170 1.00 31.42 O ATOM 35 NE2 GLN A 3 2.947 1.657 -12.044 1.00 43.21 N ATOM 0 H GLN A 3 1.879 6.064 -14.693 1.00 24.21 H new ATOM 0 HA GLN A 3 -0.548 5.349 -13.162 1.00 41.53 H new ATOM 0 HB2 GLN A 3 0.685 3.592 -14.364 1.00 72.00 H new ATOM 0 HB3 GLN A 3 2.196 4.097 -13.635 1.00 72.00 H new ATOM 0 HG2 GLN A 3 1.212 3.432 -11.368 1.00 10.15 H new ATOM 0 HG3 GLN A 3 -0.144 2.740 -12.236 1.00 10.15 H new ATOM 0 HE21 GLN A 3 3.314 2.454 -11.523 1.00 43.21 H new ATOM 0 HE22 GLN A 3 3.527 0.830 -12.186 1.00 43.21 H new ATOM 44 N TRP A 4 0.242 5.891 -10.820 1.00 2.44 N ATOM 45 CA TRP A 4 0.614 6.361 -9.467 1.00 73.50 C ATOM 46 C TRP A 4 0.724 5.143 -8.533 1.00 52.50 C ATOM 47 O TRP A 4 -0.251 4.418 -8.329 1.00 33.05 O ATOM 48 CB TRP A 4 -0.428 7.401 -8.978 1.00 52.35 C ATOM 49 CG TRP A 4 -0.473 8.620 -9.883 1.00 13.11 C ATOM 50 CD1 TRP A 4 0.411 9.666 -9.900 1.00 1.52 C ATOM 51 CD2 TRP A 4 -1.420 8.890 -10.936 1.00 50.54 C ATOM 52 NE1 TRP A 4 0.074 10.559 -10.884 1.00 35.25 N ATOM 53 CE2 TRP A 4 -1.049 10.111 -11.528 1.00 21.23 C ATOM 54 CE3 TRP A 4 -2.546 8.223 -11.428 1.00 61.23 C ATOM 55 CZ2 TRP A 4 -1.757 10.671 -12.589 1.00 74.33 C ATOM 56 CZ3 TRP A 4 -3.251 8.786 -12.477 1.00 54.34 C ATOM 57 CH2 TRP A 4 -2.854 9.998 -13.048 1.00 4.54 C ATOM 0 H TRP A 4 -0.687 5.473 -10.868 1.00 2.44 H new ATOM 0 HA TRP A 4 1.583 6.860 -9.476 1.00 73.50 H new ATOM 0 HB2 TRP A 4 -1.414 6.938 -8.942 1.00 52.35 H new ATOM 0 HB3 TRP A 4 -0.184 7.711 -7.962 1.00 52.35 H new ATOM 0 HD1 TRP A 4 1.254 9.772 -9.233 1.00 1.52 H new ATOM 0 HE1 TRP A 4 0.578 11.419 -11.102 1.00 35.25 H new ATOM 0 HE3 TRP A 4 -2.860 7.284 -10.996 1.00 61.23 H new ATOM 0 HZ2 TRP A 4 -1.449 11.606 -13.034 1.00 74.33 H new ATOM 0 HZ3 TRP A 4 -4.124 8.280 -12.861 1.00 54.34 H new ATOM 0 HH2 TRP A 4 -3.425 10.410 -13.867 1.00 4.54 H new ATOM 68 N GLN A 5 1.928 4.936 -7.973 1.00 3.23 N ATOM 69 CA GLN A 5 2.347 3.649 -7.372 1.00 4.04 C ATOM 70 C GLN A 5 2.897 3.839 -5.928 1.00 15.21 C ATOM 71 O GLN A 5 3.861 4.572 -5.709 1.00 2.45 O ATOM 72 CB GLN A 5 3.409 3.020 -8.311 1.00 72.15 C ATOM 73 CG GLN A 5 4.038 1.702 -7.825 1.00 54.32 C ATOM 74 CD GLN A 5 5.019 1.122 -8.848 1.00 33.11 C ATOM 75 OE1 GLN A 5 4.644 0.305 -9.691 1.00 41.30 O ATOM 76 NE2 GLN A 5 6.267 1.575 -8.808 1.00 11.22 N ATOM 0 H GLN A 5 2.646 5.659 -7.922 1.00 3.23 H new ATOM 0 HA GLN A 5 1.489 2.984 -7.277 1.00 4.04 H new ATOM 0 HB2 GLN A 5 2.948 2.844 -9.283 1.00 72.15 H new ATOM 0 HB3 GLN A 5 4.207 3.747 -8.464 1.00 72.15 H new ATOM 0 HG2 GLN A 5 4.557 1.874 -6.882 1.00 54.32 H new ATOM 0 HG3 GLN A 5 3.250 0.976 -7.627 1.00 54.32 H new ATOM 0 HE21 GLN A 5 6.541 2.251 -8.095 1.00 11.22 H new ATOM 0 HE22 GLN A 5 6.951 1.247 -9.490 1.00 11.22 H new ATOM 85 N ILE A 6 2.248 3.182 -4.951 1.00 33.24 N ATOM 86 CA ILE A 6 2.642 3.202 -3.524 1.00 34.55 C ATOM 87 C ILE A 6 3.266 1.838 -3.174 1.00 74.44 C ATOM 88 O ILE A 6 2.552 0.846 -3.137 1.00 63.54 O ATOM 89 CB ILE A 6 1.366 3.419 -2.602 1.00 21.24 C ATOM 90 CG1 ILE A 6 0.485 4.602 -3.111 1.00 22.02 C ATOM 91 CG2 ILE A 6 1.763 3.633 -1.116 1.00 62.43 C ATOM 92 CD1 ILE A 6 -0.863 4.719 -2.414 1.00 60.33 C ATOM 0 H ILE A 6 1.421 2.612 -5.129 1.00 33.24 H new ATOM 0 HA ILE A 6 3.349 4.014 -3.357 1.00 34.55 H new ATOM 0 HB ILE A 6 0.773 2.507 -2.663 1.00 21.24 H new ATOM 0 HG12 ILE A 6 1.034 5.534 -2.975 1.00 22.02 H new ATOM 0 HG13 ILE A 6 0.319 4.483 -4.182 1.00 22.02 H new ATOM 0 HG21 ILE A 6 0.864 3.778 -0.517 1.00 62.43 H new ATOM 0 HG22 ILE A 6 2.303 2.758 -0.754 1.00 62.43 H new ATOM 0 HG23 ILE A 6 2.400 4.513 -1.033 1.00 62.43 H new ATOM 0 HD11 ILE A 6 -1.413 5.565 -2.826 1.00 60.33 H new ATOM 0 HD12 ILE A 6 -1.434 3.804 -2.571 1.00 60.33 H new ATOM 0 HD13 ILE A 6 -0.708 4.872 -1.346 1.00 60.33 H new ATOM 104 N LYS A 7 4.587 1.773 -2.948 1.00 5.44 N ATOM 105 CA LYS A 7 5.259 0.529 -2.497 1.00 4.02 C ATOM 106 C LYS A 7 5.433 0.550 -0.968 1.00 71.24 C ATOM 107 O LYS A 7 6.249 1.298 -0.441 1.00 61.34 O ATOM 108 CB LYS A 7 6.619 0.351 -3.220 1.00 33.21 C ATOM 109 CG LYS A 7 6.495 -0.017 -4.713 1.00 75.32 C ATOM 110 CD LYS A 7 7.869 -0.133 -5.412 1.00 53.24 C ATOM 111 CE LYS A 7 7.748 -0.665 -6.846 1.00 44.31 C ATOM 112 NZ LYS A 7 9.057 -0.679 -7.553 1.00 53.02 N ATOM 0 H LYS A 7 5.218 2.565 -3.068 1.00 5.44 H new ATOM 0 HA LYS A 7 4.635 -0.326 -2.756 1.00 4.02 H new ATOM 0 HB2 LYS A 7 7.189 1.276 -3.131 1.00 33.21 H new ATOM 0 HB3 LYS A 7 7.190 -0.426 -2.711 1.00 33.21 H new ATOM 0 HG2 LYS A 7 5.962 -0.963 -4.807 1.00 75.32 H new ATOM 0 HG3 LYS A 7 5.895 0.738 -5.221 1.00 75.32 H new ATOM 0 HD2 LYS A 7 8.350 0.845 -5.429 1.00 53.24 H new ATOM 0 HD3 LYS A 7 8.514 -0.795 -4.834 1.00 53.24 H new ATOM 0 HE2 LYS A 7 7.338 -1.675 -6.824 1.00 44.31 H new ATOM 0 HE3 LYS A 7 7.043 -0.047 -7.403 1.00 44.31 H new ATOM 0 HZ1 LYS A 7 8.927 -1.046 -8.517 1.00 53.02 H new ATOM 0 HZ2 LYS A 7 9.437 0.288 -7.599 1.00 53.02 H new ATOM 0 HZ3 LYS A 7 9.723 -1.289 -7.038 1.00 53.02 H new ATOM 126 N ILE A 8 4.660 -0.295 -0.271 1.00 2.12 N ATOM 127 CA ILE A 8 4.625 -0.335 1.200 1.00 51.24 C ATOM 128 C ILE A 8 5.530 -1.465 1.705 1.00 22.11 C ATOM 129 O ILE A 8 5.179 -2.638 1.603 1.00 74.14 O ATOM 130 CB ILE A 8 3.147 -0.576 1.700 1.00 55.14 C ATOM 131 CG1 ILE A 8 2.195 0.527 1.139 1.00 51.31 C ATOM 132 CG2 ILE A 8 3.073 -0.649 3.252 1.00 53.14 C ATOM 133 CD1 ILE A 8 0.727 0.298 1.433 1.00 10.43 C ATOM 0 H ILE A 8 4.039 -0.973 -0.712 1.00 2.12 H new ATOM 0 HA ILE A 8 4.981 0.618 1.591 1.00 51.24 H new ATOM 0 HB ILE A 8 2.816 -1.541 1.318 1.00 55.14 H new ATOM 0 HG12 ILE A 8 2.490 1.490 1.556 1.00 51.31 H new ATOM 0 HG13 ILE A 8 2.331 0.592 0.059 1.00 51.31 H new ATOM 0 HG21 ILE A 8 2.041 -0.816 3.560 1.00 53.14 H new ATOM 0 HG22 ILE A 8 3.695 -1.471 3.608 1.00 53.14 H new ATOM 0 HG23 ILE A 8 3.432 0.288 3.678 1.00 53.14 H new ATOM 0 HD11 ILE A 8 0.139 1.111 1.007 1.00 10.43 H new ATOM 0 HD12 ILE A 8 0.411 -0.647 0.992 1.00 10.43 H new ATOM 0 HD13 ILE A 8 0.573 0.265 2.512 1.00 10.43 H new ATOM 145 N TYR A 9 6.684 -1.099 2.268 1.00 61.22 N ATOM 146 CA TYR A 9 7.627 -2.055 2.855 1.00 61.03 C ATOM 147 C TYR A 9 7.294 -2.217 4.344 1.00 20.01 C ATOM 148 O TYR A 9 7.521 -1.298 5.147 1.00 24.14 O ATOM 149 CB TYR A 9 9.088 -1.559 2.684 1.00 63.35 C ATOM 150 CG TYR A 9 9.556 -1.413 1.227 1.00 60.51 C ATOM 151 CD1 TYR A 9 9.377 -0.217 0.522 1.00 23.11 C ATOM 152 CD2 TYR A 9 10.169 -2.473 0.556 1.00 61.50 C ATOM 153 CE1 TYR A 9 9.797 -0.092 -0.787 1.00 53.33 C ATOM 154 CE2 TYR A 9 10.590 -2.345 -0.751 1.00 34.04 C ATOM 155 CZ TYR A 9 10.398 -1.158 -1.417 1.00 21.03 C ATOM 156 OH TYR A 9 10.811 -1.035 -2.729 1.00 61.34 O ATOM 0 H TYR A 9 6.992 -0.129 2.330 1.00 61.22 H new ATOM 0 HA TYR A 9 7.538 -3.015 2.346 1.00 61.03 H new ATOM 0 HB2 TYR A 9 9.189 -0.594 3.181 1.00 63.35 H new ATOM 0 HB3 TYR A 9 9.754 -2.253 3.196 1.00 63.35 H new ATOM 0 HD1 TYR A 9 8.903 0.622 1.010 1.00 23.11 H new ATOM 0 HD2 TYR A 9 10.316 -3.411 1.070 1.00 61.50 H new ATOM 0 HE1 TYR A 9 9.654 0.839 -1.315 1.00 53.33 H new ATOM 0 HE2 TYR A 9 11.069 -3.175 -1.250 1.00 34.04 H new ATOM 0 HH TYR A 9 11.216 -1.877 -3.025 1.00 61.34 H new ATOM 166 N SER A 10 6.721 -3.376 4.693 1.00 73.32 N ATOM 167 CA SER A 10 6.417 -3.735 6.083 1.00 61.11 C ATOM 168 C SER A 10 6.919 -5.168 6.330 1.00 65.35 C ATOM 169 O SER A 10 6.257 -6.152 5.958 1.00 52.44 O ATOM 170 CB SER A 10 4.899 -3.597 6.368 1.00 51.40 C ATOM 171 OG SER A 10 4.602 -3.817 7.739 1.00 55.32 O ATOM 0 H SER A 10 6.455 -4.092 4.017 1.00 73.32 H new ATOM 0 HA SER A 10 6.923 -3.055 6.768 1.00 61.11 H new ATOM 0 HB2 SER A 10 4.563 -2.602 6.078 1.00 51.40 H new ATOM 0 HB3 SER A 10 4.347 -4.311 5.757 1.00 51.40 H new ATOM 0 HG SER A 10 4.581 -4.780 7.919 1.00 55.32 H new ATOM 177 N GLU A 11 8.137 -5.257 6.902 1.00 52.25 N ATOM 178 CA GLU A 11 8.778 -6.540 7.276 1.00 24.53 C ATOM 179 C GLU A 11 7.993 -7.246 8.395 1.00 13.13 C ATOM 180 O GLU A 11 7.995 -8.474 8.495 1.00 15.40 O ATOM 181 CB GLU A 11 10.243 -6.289 7.714 1.00 61.31 C ATOM 182 CG GLU A 11 10.401 -5.358 8.932 1.00 21.43 C ATOM 183 CD GLU A 11 11.862 -5.015 9.234 1.00 51.33 C ATOM 184 OE1 GLU A 11 12.385 -4.056 8.634 1.00 32.41 O ATOM 185 OE2 GLU A 11 12.505 -5.723 10.038 1.00 33.40 O ATOM 0 H GLU A 11 8.708 -4.440 7.119 1.00 52.25 H new ATOM 0 HA GLU A 11 8.775 -7.194 6.404 1.00 24.53 H new ATOM 0 HB2 GLU A 11 10.708 -7.247 7.944 1.00 61.31 H new ATOM 0 HB3 GLU A 11 10.791 -5.862 6.874 1.00 61.31 H new ATOM 0 HG2 GLU A 11 9.846 -4.437 8.753 1.00 21.43 H new ATOM 0 HG3 GLU A 11 9.956 -5.833 9.806 1.00 21.43 H new ATOM 192 N ASN A 12 7.339 -6.441 9.244 1.00 24.11 N ATOM 193 CA ASN A 12 6.438 -6.942 10.278 1.00 74.24 C ATOM 194 C ASN A 12 5.073 -7.194 9.624 1.00 2.25 C ATOM 195 O ASN A 12 4.282 -6.257 9.419 1.00 12.34 O ATOM 196 CB ASN A 12 6.349 -5.931 11.444 1.00 71.50 C ATOM 197 CG ASN A 12 5.543 -6.481 12.620 1.00 21.45 C ATOM 198 OD1 ASN A 12 4.336 -6.296 12.696 1.00 0.04 O ATOM 199 ND2 ASN A 12 6.208 -7.173 13.536 1.00 45.54 N ATOM 0 H ASN A 12 7.423 -5.425 9.229 1.00 24.11 H new ATOM 0 HA ASN A 12 6.808 -7.875 10.704 1.00 74.24 H new ATOM 0 HB2 ASN A 12 7.354 -5.677 11.781 1.00 71.50 H new ATOM 0 HB3 ASN A 12 5.889 -5.009 11.089 1.00 71.50 H new ATOM 0 HD21 ASN A 12 5.713 -7.570 14.335 1.00 45.54 H new ATOM 0 HD22 ASN A 12 7.215 -7.308 13.442 1.00 45.54 H new ATOM 206 N GLU A 13 4.834 -8.466 9.246 1.00 23.44 N ATOM 207 CA GLU A 13 3.663 -8.855 8.444 1.00 23.45 C ATOM 208 C GLU A 13 2.336 -8.641 9.186 1.00 32.13 C ATOM 209 O GLU A 13 1.313 -8.514 8.533 1.00 63.34 O ATOM 210 CB GLU A 13 3.773 -10.314 7.943 1.00 71.21 C ATOM 211 CG GLU A 13 3.738 -11.396 9.042 1.00 22.53 C ATOM 212 CD GLU A 13 3.493 -12.793 8.466 1.00 71.21 C ATOM 213 OE1 GLU A 13 2.327 -13.100 8.127 1.00 32.32 O ATOM 214 OE2 GLU A 13 4.453 -13.574 8.305 1.00 25.05 O ATOM 0 H GLU A 13 5.445 -9.246 9.488 1.00 23.44 H new ATOM 0 HA GLU A 13 3.660 -8.192 7.579 1.00 23.45 H new ATOM 0 HB2 GLU A 13 2.957 -10.503 7.245 1.00 71.21 H new ATOM 0 HB3 GLU A 13 4.702 -10.419 7.383 1.00 71.21 H new ATOM 0 HG2 GLU A 13 4.682 -11.389 9.587 1.00 22.53 H new ATOM 0 HG3 GLU A 13 2.954 -11.158 9.760 1.00 22.53 H new ATOM 221 N ARG A 14 2.375 -8.597 10.541 1.00 12.14 N ATOM 222 CA ARG A 14 1.207 -8.251 11.395 1.00 51.33 C ATOM 223 C ARG A 14 0.539 -6.959 10.890 1.00 53.12 C ATOM 224 O ARG A 14 -0.689 -6.879 10.735 1.00 52.10 O ATOM 225 CB ARG A 14 1.679 -8.067 12.863 1.00 4.31 C ATOM 226 CG ARG A 14 0.589 -7.627 13.872 1.00 0.11 C ATOM 227 CD ARG A 14 -0.487 -8.693 14.101 1.00 2.30 C ATOM 228 NE ARG A 14 0.100 -9.955 14.595 1.00 25.40 N ATOM 229 CZ ARG A 14 -0.553 -11.122 14.736 1.00 35.11 C ATOM 230 NH1 ARG A 14 -1.843 -11.226 14.422 1.00 22.31 N ATOM 231 NH2 ARG A 14 0.111 -12.185 15.179 1.00 55.45 N ATOM 0 H ARG A 14 3.219 -8.801 11.076 1.00 12.14 H new ATOM 0 HA ARG A 14 0.477 -9.059 11.347 1.00 51.33 H new ATOM 0 HB2 ARG A 14 2.108 -9.008 13.208 1.00 4.31 H new ATOM 0 HB3 ARG A 14 2.480 -7.328 12.877 1.00 4.31 H new ATOM 0 HG2 ARG A 14 1.061 -7.386 14.825 1.00 0.11 H new ATOM 0 HG3 ARG A 14 0.116 -6.714 13.511 1.00 0.11 H new ATOM 0 HD2 ARG A 14 -1.219 -8.325 14.820 1.00 2.30 H new ATOM 0 HD3 ARG A 14 -1.021 -8.879 13.169 1.00 2.30 H new ATOM 0 HE ARG A 14 1.087 -9.940 14.852 1.00 25.40 H new ATOM 0 HH11 ARG A 14 -2.349 -10.414 14.069 1.00 22.31 H new ATOM 0 HH12 ARG A 14 -2.325 -12.118 14.534 1.00 22.31 H new ATOM 0 HH21 ARG A 14 1.102 -12.109 15.407 1.00 55.45 H new ATOM 0 HH22 ARG A 14 -0.371 -13.077 15.291 1.00 55.45 H new ATOM 245 N GLU A 15 1.390 -5.973 10.610 1.00 24.50 N ATOM 246 CA GLU A 15 0.989 -4.670 10.079 1.00 12.21 C ATOM 247 C GLU A 15 0.455 -4.791 8.653 1.00 12.41 C ATOM 248 O GLU A 15 -0.589 -4.227 8.316 1.00 52.35 O ATOM 249 CB GLU A 15 2.216 -3.738 10.106 1.00 43.02 C ATOM 250 CG GLU A 15 2.839 -3.569 11.502 1.00 24.15 C ATOM 251 CD GLU A 15 1.879 -2.921 12.512 1.00 33.30 C ATOM 252 OE1 GLU A 15 1.726 -1.682 12.479 1.00 22.31 O ATOM 253 OE2 GLU A 15 1.262 -3.641 13.331 1.00 12.31 O ATOM 0 H GLU A 15 2.397 -6.059 10.748 1.00 24.50 H new ATOM 0 HA GLU A 15 0.187 -4.264 10.695 1.00 12.21 H new ATOM 0 HB2 GLU A 15 2.973 -4.130 9.426 1.00 43.02 H new ATOM 0 HB3 GLU A 15 1.924 -2.758 9.728 1.00 43.02 H new ATOM 0 HG2 GLU A 15 3.148 -4.545 11.877 1.00 24.15 H new ATOM 0 HG3 GLU A 15 3.739 -2.959 11.421 1.00 24.15 H new ATOM 260 N PHE A 16 1.208 -5.537 7.836 1.00 73.11 N ATOM 261 CA PHE A 16 0.942 -5.724 6.403 1.00 51.30 C ATOM 262 C PHE A 16 -0.443 -6.373 6.164 1.00 34.13 C ATOM 263 O PHE A 16 -1.132 -6.047 5.187 1.00 63.31 O ATOM 264 CB PHE A 16 2.084 -6.585 5.809 1.00 14.24 C ATOM 265 CG PHE A 16 2.200 -6.530 4.293 1.00 52.20 C ATOM 266 CD1 PHE A 16 1.444 -7.375 3.485 1.00 24.13 C ATOM 267 CD2 PHE A 16 3.081 -5.643 3.684 1.00 33.44 C ATOM 268 CE1 PHE A 16 1.572 -7.339 2.114 1.00 64.41 C ATOM 269 CE2 PHE A 16 3.204 -5.607 2.314 1.00 21.11 C ATOM 270 CZ PHE A 16 2.450 -6.457 1.530 1.00 61.32 C ATOM 0 H PHE A 16 2.036 -6.038 8.158 1.00 73.11 H new ATOM 0 HA PHE A 16 0.915 -4.756 5.904 1.00 51.30 H new ATOM 0 HB2 PHE A 16 3.029 -6.260 6.244 1.00 14.24 H new ATOM 0 HB3 PHE A 16 1.934 -7.622 6.111 1.00 14.24 H new ATOM 0 HD1 PHE A 16 0.749 -8.067 3.938 1.00 24.13 H new ATOM 0 HD2 PHE A 16 3.674 -4.976 4.292 1.00 33.44 H new ATOM 0 HE1 PHE A 16 0.983 -8.003 1.498 1.00 64.41 H new ATOM 0 HE2 PHE A 16 3.891 -4.913 1.852 1.00 21.11 H new ATOM 0 HZ PHE A 16 2.550 -6.429 0.455 1.00 61.32 H new ATOM 280 N ARG A 17 -0.837 -7.271 7.089 1.00 53.01 N ATOM 281 CA ARG A 17 -2.131 -7.975 7.040 1.00 64.44 C ATOM 282 C ARG A 17 -3.296 -6.973 7.083 1.00 11.43 C ATOM 283 O ARG A 17 -4.302 -7.159 6.399 1.00 32.31 O ATOM 284 CB ARG A 17 -2.259 -8.995 8.209 1.00 4.14 C ATOM 285 CG ARG A 17 -1.273 -10.194 8.161 1.00 74.40 C ATOM 286 CD ARG A 17 -1.380 -11.035 6.871 1.00 32.32 C ATOM 287 NE ARG A 17 -0.395 -12.146 6.834 1.00 34.43 N ATOM 288 CZ ARG A 17 -0.328 -13.088 5.869 1.00 4.40 C ATOM 289 NH1 ARG A 17 -1.183 -13.089 4.852 1.00 32.12 N ATOM 290 NH2 ARG A 17 0.604 -14.031 5.935 1.00 62.30 N ATOM 0 H ARG A 17 -0.264 -7.528 7.893 1.00 53.01 H new ATOM 0 HA ARG A 17 -2.175 -8.524 6.099 1.00 64.44 H new ATOM 0 HB2 ARG A 17 -2.112 -8.464 9.149 1.00 4.14 H new ATOM 0 HB3 ARG A 17 -3.277 -9.384 8.219 1.00 4.14 H new ATOM 0 HG2 ARG A 17 -0.254 -9.819 8.256 1.00 74.40 H new ATOM 0 HG3 ARG A 17 -1.457 -10.839 9.021 1.00 74.40 H new ATOM 0 HD2 ARG A 17 -2.387 -11.444 6.790 1.00 32.32 H new ATOM 0 HD3 ARG A 17 -1.227 -10.389 6.006 1.00 32.32 H new ATOM 0 HE ARG A 17 0.282 -12.202 7.595 1.00 34.43 H new ATOM 0 HH11 ARG A 17 -1.904 -12.370 4.792 1.00 32.12 H new ATOM 0 HH12 ARG A 17 -1.118 -13.808 4.132 1.00 32.12 H new ATOM 0 HH21 ARG A 17 1.265 -14.041 6.712 1.00 62.30 H new ATOM 0 HH22 ARG A 17 0.659 -14.745 5.209 1.00 62.30 H new ATOM 304 N GLU A 18 -3.120 -5.901 7.873 1.00 24.43 N ATOM 305 CA GLU A 18 -4.124 -4.832 8.033 1.00 11.03 C ATOM 306 C GLU A 18 -4.351 -4.079 6.719 1.00 64.10 C ATOM 307 O GLU A 18 -5.482 -3.700 6.407 1.00 40.42 O ATOM 308 CB GLU A 18 -3.685 -3.863 9.157 1.00 73.34 C ATOM 309 CG GLU A 18 -3.551 -4.538 10.533 1.00 63.42 C ATOM 310 CD GLU A 18 -4.871 -5.147 11.047 1.00 70.43 C ATOM 311 OE1 GLU A 18 -5.673 -4.408 11.660 1.00 32.13 O ATOM 312 OE2 GLU A 18 -5.119 -6.359 10.828 1.00 43.22 O ATOM 0 H GLU A 18 -2.274 -5.749 8.422 1.00 24.43 H new ATOM 0 HA GLU A 18 -5.073 -5.289 8.312 1.00 11.03 H new ATOM 0 HB2 GLU A 18 -2.729 -3.415 8.886 1.00 73.34 H new ATOM 0 HB3 GLU A 18 -4.409 -3.051 9.229 1.00 73.34 H new ATOM 0 HG2 GLU A 18 -2.797 -5.322 10.473 1.00 63.42 H new ATOM 0 HG3 GLU A 18 -3.192 -3.805 11.256 1.00 63.42 H new ATOM 319 N LEU A 19 -3.259 -3.868 5.957 1.00 35.31 N ATOM 320 CA LEU A 19 -3.337 -3.247 4.623 1.00 20.14 C ATOM 321 C LEU A 19 -4.095 -4.153 3.648 1.00 75.34 C ATOM 322 O LEU A 19 -4.898 -3.665 2.867 1.00 72.13 O ATOM 323 CB LEU A 19 -1.932 -2.880 4.063 1.00 43.41 C ATOM 324 CG LEU A 19 -1.233 -1.628 4.694 1.00 71.02 C ATOM 325 CD1 LEU A 19 -2.190 -0.401 4.739 1.00 64.43 C ATOM 326 CD2 LEU A 19 -0.630 -1.928 6.085 1.00 24.03 C ATOM 0 H LEU A 19 -2.313 -4.119 6.244 1.00 35.31 H new ATOM 0 HA LEU A 19 -3.890 -2.314 4.732 1.00 20.14 H new ATOM 0 HB2 LEU A 19 -1.276 -3.740 4.197 1.00 43.41 H new ATOM 0 HB3 LEU A 19 -2.025 -2.714 2.990 1.00 43.41 H new ATOM 0 HG LEU A 19 -0.399 -1.373 4.040 1.00 71.02 H new ATOM 0 HD11 LEU A 19 -1.671 0.449 5.183 1.00 64.43 H new ATOM 0 HD12 LEU A 19 -2.503 -0.147 3.726 1.00 64.43 H new ATOM 0 HD13 LEU A 19 -3.066 -0.645 5.339 1.00 64.43 H new ATOM 0 HD21 LEU A 19 -0.158 -1.028 6.479 1.00 24.03 H new ATOM 0 HD22 LEU A 19 -1.421 -2.249 6.763 1.00 24.03 H new ATOM 0 HD23 LEU A 19 0.114 -2.719 5.996 1.00 24.03 H new ATOM 338 N ILE A 20 -3.838 -5.472 3.716 1.00 34.24 N ATOM 339 CA ILE A 20 -4.532 -6.458 2.861 1.00 54.50 C ATOM 340 C ILE A 20 -6.056 -6.419 3.131 1.00 11.34 C ATOM 341 O ILE A 20 -6.852 -6.376 2.188 1.00 22.40 O ATOM 342 CB ILE A 20 -3.973 -7.924 3.060 1.00 23.22 C ATOM 343 CG1 ILE A 20 -2.439 -8.000 2.755 1.00 53.25 C ATOM 344 CG2 ILE A 20 -4.747 -8.956 2.196 1.00 51.54 C ATOM 345 CD1 ILE A 20 -2.030 -7.677 1.312 1.00 62.33 C ATOM 0 H ILE A 20 -3.155 -5.882 4.353 1.00 34.24 H new ATOM 0 HA ILE A 20 -4.342 -6.181 1.824 1.00 54.50 H new ATOM 0 HB ILE A 20 -4.126 -8.180 4.109 1.00 23.22 H new ATOM 0 HG12 ILE A 20 -1.920 -7.312 3.423 1.00 53.25 H new ATOM 0 HG13 ILE A 20 -2.089 -9.004 2.996 1.00 53.25 H new ATOM 0 HG21 ILE A 20 -4.334 -9.951 2.360 1.00 51.54 H new ATOM 0 HG22 ILE A 20 -5.800 -8.950 2.478 1.00 51.54 H new ATOM 0 HG23 ILE A 20 -4.652 -8.693 1.143 1.00 51.54 H new ATOM 0 HD11 ILE A 20 -0.948 -7.760 1.213 1.00 62.33 H new ATOM 0 HD12 ILE A 20 -2.511 -8.379 0.632 1.00 62.33 H new ATOM 0 HD13 ILE A 20 -2.340 -6.662 1.065 1.00 62.33 H new ATOM 357 N GLU A 21 -6.440 -6.401 4.427 1.00 62.14 N ATOM 358 CA GLU A 21 -7.858 -6.312 4.854 1.00 44.32 C ATOM 359 C GLU A 21 -8.514 -5.035 4.301 1.00 35.34 C ATOM 360 O GLU A 21 -9.596 -5.090 3.705 1.00 13.33 O ATOM 361 CB GLU A 21 -7.967 -6.327 6.406 1.00 72.43 C ATOM 362 CG GLU A 21 -7.423 -7.595 7.095 1.00 4.52 C ATOM 363 CD GLU A 21 -8.159 -8.886 6.692 1.00 35.42 C ATOM 364 OE1 GLU A 21 -9.153 -9.247 7.359 1.00 73.11 O ATOM 365 OE2 GLU A 21 -7.743 -9.559 5.721 1.00 63.33 O ATOM 0 H GLU A 21 -5.781 -6.447 5.204 1.00 62.14 H new ATOM 0 HA GLU A 21 -8.382 -7.180 4.454 1.00 44.32 H new ATOM 0 HB2 GLU A 21 -7.432 -5.462 6.799 1.00 72.43 H new ATOM 0 HB3 GLU A 21 -9.015 -6.206 6.681 1.00 72.43 H new ATOM 0 HG2 GLU A 21 -6.365 -7.701 6.856 1.00 4.52 H new ATOM 0 HG3 GLU A 21 -7.495 -7.469 8.175 1.00 4.52 H new ATOM 372 N ARG A 22 -7.813 -3.903 4.483 1.00 4.53 N ATOM 373 CA ARG A 22 -8.282 -2.573 4.060 1.00 60.40 C ATOM 374 C ARG A 22 -8.445 -2.479 2.530 1.00 14.44 C ATOM 375 O ARG A 22 -9.398 -1.865 2.049 1.00 43.30 O ATOM 376 CB ARG A 22 -7.333 -1.466 4.603 1.00 44.14 C ATOM 377 CG ARG A 22 -7.506 -1.161 6.115 1.00 13.01 C ATOM 378 CD ARG A 22 -8.925 -0.663 6.461 1.00 63.34 C ATOM 379 NE ARG A 22 -9.264 0.535 5.667 1.00 51.41 N ATOM 380 CZ ARG A 22 -10.494 0.956 5.339 1.00 13.43 C ATOM 381 NH1 ARG A 22 -11.577 0.301 5.740 1.00 64.14 N ATOM 382 NH2 ARG A 22 -10.632 2.048 4.601 1.00 1.14 N ATOM 0 H ARG A 22 -6.897 -3.886 4.932 1.00 4.53 H new ATOM 0 HA ARG A 22 -9.272 -2.416 4.489 1.00 60.40 H new ATOM 0 HB2 ARG A 22 -6.301 -1.767 4.421 1.00 44.14 H new ATOM 0 HB3 ARG A 22 -7.502 -0.549 4.038 1.00 44.14 H new ATOM 0 HG2 ARG A 22 -7.290 -2.061 6.691 1.00 13.01 H new ATOM 0 HG3 ARG A 22 -6.777 -0.408 6.416 1.00 13.01 H new ATOM 0 HD2 ARG A 22 -9.651 -1.452 6.266 1.00 63.34 H new ATOM 0 HD3 ARG A 22 -8.985 -0.430 7.524 1.00 63.34 H new ATOM 0 HE ARG A 22 -8.483 1.100 5.334 1.00 51.41 H new ATOM 0 HH11 ARG A 22 -11.483 -0.540 6.309 1.00 64.14 H new ATOM 0 HH12 ARG A 22 -12.503 0.639 5.479 1.00 64.14 H new ATOM 0 HH21 ARG A 22 -9.807 2.560 4.288 1.00 1.14 H new ATOM 0 HH22 ARG A 22 -11.563 2.377 4.346 1.00 1.14 H new ATOM 396 N LEU A 23 -7.530 -3.122 1.782 1.00 33.04 N ATOM 397 CA LEU A 23 -7.550 -3.116 0.300 1.00 72.05 C ATOM 398 C LEU A 23 -8.564 -4.117 -0.262 1.00 72.11 C ATOM 399 O LEU A 23 -8.896 -4.053 -1.440 1.00 10.35 O ATOM 400 CB LEU A 23 -6.156 -3.389 -0.303 1.00 64.40 C ATOM 401 CG LEU A 23 -5.045 -2.360 0.052 1.00 31.41 C ATOM 402 CD1 LEU A 23 -3.726 -2.738 -0.629 1.00 24.05 C ATOM 403 CD2 LEU A 23 -5.455 -0.913 -0.286 1.00 73.45 C ATOM 0 H LEU A 23 -6.759 -3.658 2.180 1.00 33.04 H new ATOM 0 HA LEU A 23 -7.857 -2.112 0.008 1.00 72.05 H new ATOM 0 HB2 LEU A 23 -5.828 -4.375 0.024 1.00 64.40 H new ATOM 0 HB3 LEU A 23 -6.253 -3.429 -1.388 1.00 64.40 H new ATOM 0 HG LEU A 23 -4.901 -2.397 1.132 1.00 31.41 H new ATOM 0 HD11 LEU A 23 -2.960 -2.007 -0.370 1.00 24.05 H new ATOM 0 HD12 LEU A 23 -3.413 -3.727 -0.293 1.00 24.05 H new ATOM 0 HD13 LEU A 23 -3.865 -2.750 -1.710 1.00 24.05 H new ATOM 0 HD21 LEU A 23 -4.645 -0.234 -0.019 1.00 73.45 H new ATOM 0 HD22 LEU A 23 -5.659 -0.833 -1.354 1.00 73.45 H new ATOM 0 HD23 LEU A 23 -6.351 -0.648 0.276 1.00 73.45 H new ATOM 415 N GLU A 24 -8.997 -5.073 0.567 1.00 15.22 N ATOM 416 CA GLU A 24 -10.069 -6.017 0.211 1.00 21.01 C ATOM 417 C GLU A 24 -11.459 -5.465 0.572 1.00 10.24 C ATOM 418 O GLU A 24 -12.460 -5.963 0.057 1.00 14.11 O ATOM 419 CB GLU A 24 -9.846 -7.408 0.872 1.00 13.41 C ATOM 420 CG GLU A 24 -8.677 -8.217 0.268 1.00 2.03 C ATOM 421 CD GLU A 24 -8.689 -9.694 0.676 1.00 14.23 C ATOM 422 OE1 GLU A 24 -9.603 -10.427 0.226 1.00 71.54 O ATOM 423 OE2 GLU A 24 -7.828 -10.130 1.462 1.00 32.41 O ATOM 0 H GLU A 24 -8.617 -5.216 1.503 1.00 15.22 H new ATOM 0 HA GLU A 24 -10.031 -6.144 -0.871 1.00 21.01 H new ATOM 0 HB2 GLU A 24 -9.663 -7.266 1.937 1.00 13.41 H new ATOM 0 HB3 GLU A 24 -10.762 -7.992 0.781 1.00 13.41 H new ATOM 0 HG2 GLU A 24 -8.719 -8.147 -0.819 1.00 2.03 H new ATOM 0 HG3 GLU A 24 -7.734 -7.768 0.580 1.00 2.03 H new ATOM 430 N GLU A 25 -11.524 -4.457 1.465 1.00 23.34 N ATOM 431 CA GLU A 25 -12.810 -3.895 1.951 1.00 31.52 C ATOM 432 C GLU A 25 -13.066 -2.456 1.458 1.00 52.21 C ATOM 433 O GLU A 25 -14.105 -1.867 1.796 1.00 70.11 O ATOM 434 CB GLU A 25 -12.871 -3.940 3.500 1.00 65.32 C ATOM 435 CG GLU A 25 -11.904 -2.970 4.198 1.00 44.11 C ATOM 436 CD GLU A 25 -12.028 -3.002 5.720 1.00 34.14 C ATOM 437 OE1 GLU A 25 -11.340 -3.811 6.372 1.00 22.22 O ATOM 438 OE2 GLU A 25 -12.839 -2.225 6.267 1.00 63.01 O ATOM 0 H GLU A 25 -10.700 -4.011 1.868 1.00 23.34 H new ATOM 0 HA GLU A 25 -13.597 -4.521 1.532 1.00 31.52 H new ATOM 0 HB2 GLU A 25 -13.888 -3.713 3.819 1.00 65.32 H new ATOM 0 HB3 GLU A 25 -12.652 -4.955 3.832 1.00 65.32 H new ATOM 0 HG2 GLU A 25 -10.881 -3.219 3.916 1.00 44.11 H new ATOM 0 HG3 GLU A 25 -12.095 -1.957 3.844 1.00 44.11 H new ATOM 445 N GLU A 26 -12.119 -1.870 0.696 1.00 31.52 N ATOM 446 CA GLU A 26 -12.254 -0.478 0.197 1.00 45.14 C ATOM 447 C GLU A 26 -13.234 -0.383 -0.995 1.00 14.13 C ATOM 448 O GLU A 26 -13.813 -1.385 -1.435 1.00 0.13 O ATOM 449 CB GLU A 26 -10.856 0.140 -0.171 1.00 0.42 C ATOM 450 CG GLU A 26 -9.935 -0.717 -1.074 1.00 2.05 C ATOM 451 CD GLU A 26 -10.496 -1.044 -2.470 1.00 14.01 C ATOM 452 OE1 GLU A 26 -10.686 -0.115 -3.276 1.00 12.11 O ATOM 453 OE2 GLU A 26 -10.746 -2.236 -2.771 1.00 72.52 O ATOM 0 H GLU A 26 -11.256 -2.333 0.412 1.00 31.52 H new ATOM 0 HA GLU A 26 -12.676 0.110 1.012 1.00 45.14 H new ATOM 0 HB2 GLU A 26 -11.026 1.096 -0.667 1.00 0.42 H new ATOM 0 HB3 GLU A 26 -10.323 0.352 0.756 1.00 0.42 H new ATOM 0 HG2 GLU A 26 -8.986 -0.195 -1.196 1.00 2.05 H new ATOM 0 HG3 GLU A 26 -9.720 -1.653 -0.559 1.00 2.05 H new ATOM 460 N ARG A 27 -13.380 0.843 -1.517 1.00 62.52 N ATOM 461 CA ARG A 27 -14.136 1.136 -2.748 1.00 44.51 C ATOM 462 C ARG A 27 -13.313 2.128 -3.613 1.00 2.21 C ATOM 463 O ARG A 27 -12.610 2.979 -3.054 1.00 50.21 O ATOM 464 CB ARG A 27 -15.559 1.724 -2.413 1.00 60.33 C ATOM 465 CG ARG A 27 -16.760 0.899 -2.946 1.00 31.22 C ATOM 466 CD ARG A 27 -16.896 -0.473 -2.256 1.00 42.34 C ATOM 467 NE ARG A 27 -17.135 -0.330 -0.811 1.00 15.13 N ATOM 468 CZ ARG A 27 -16.897 -1.264 0.128 1.00 72.33 C ATOM 469 NH1 ARG A 27 -16.413 -2.459 -0.194 1.00 33.30 N ATOM 470 NH2 ARG A 27 -17.135 -0.969 1.398 1.00 64.55 N ATOM 0 H ARG A 27 -12.970 1.674 -1.091 1.00 62.52 H new ATOM 0 HA ARG A 27 -14.295 0.213 -3.305 1.00 44.51 H new ATOM 0 HB2 ARG A 27 -15.652 1.812 -1.331 1.00 60.33 H new ATOM 0 HB3 ARG A 27 -15.622 2.733 -2.821 1.00 60.33 H new ATOM 0 HG2 ARG A 27 -17.679 1.467 -2.799 1.00 31.22 H new ATOM 0 HG3 ARG A 27 -16.645 0.751 -4.020 1.00 31.22 H new ATOM 0 HD2 ARG A 27 -17.717 -1.029 -2.708 1.00 42.34 H new ATOM 0 HD3 ARG A 27 -15.989 -1.055 -2.420 1.00 42.34 H new ATOM 0 HE ARG A 27 -17.517 0.560 -0.491 1.00 15.13 H new ATOM 0 HH11 ARG A 27 -16.214 -2.683 -1.169 1.00 33.30 H new ATOM 0 HH12 ARG A 27 -16.240 -3.152 0.534 1.00 33.30 H new ATOM 0 HH21 ARG A 27 -17.492 -0.047 1.649 1.00 64.55 H new ATOM 0 HH22 ARG A 27 -16.961 -1.664 2.124 1.00 64.55 H new ATOM 484 N PRO A 28 -13.378 2.058 -4.981 1.00 25.33 N ATOM 485 CA PRO A 28 -14.132 1.059 -5.764 1.00 24.33 C ATOM 486 C PRO A 28 -13.234 -0.048 -6.395 1.00 11.23 C ATOM 487 O PRO A 28 -13.109 -0.118 -7.629 1.00 32.35 O ATOM 488 CB PRO A 28 -14.770 1.988 -6.831 1.00 41.34 C ATOM 489 CG PRO A 28 -13.760 3.093 -7.058 1.00 53.20 C ATOM 490 CD PRO A 28 -12.750 3.017 -5.913 1.00 10.03 C ATOM 0 HA PRO A 28 -14.837 0.469 -5.178 1.00 24.33 H new ATOM 0 HB2 PRO A 28 -14.972 1.445 -7.754 1.00 41.34 H new ATOM 0 HB3 PRO A 28 -15.721 2.391 -6.483 1.00 41.34 H new ATOM 0 HG2 PRO A 28 -13.263 2.969 -8.020 1.00 53.20 H new ATOM 0 HG3 PRO A 28 -14.251 4.066 -7.076 1.00 53.20 H new ATOM 0 HD2 PRO A 28 -11.776 2.668 -6.256 1.00 10.03 H new ATOM 0 HD3 PRO A 28 -12.594 3.990 -5.447 1.00 10.03 H new ATOM 498 N SER A 29 -12.634 -0.892 -5.530 1.00 71.35 N ATOM 499 CA SER A 29 -11.823 -2.063 -5.938 1.00 54.03 C ATOM 500 C SER A 29 -10.482 -1.605 -6.555 1.00 21.32 C ATOM 501 O SER A 29 -10.384 -1.380 -7.768 1.00 72.13 O ATOM 502 CB SER A 29 -12.628 -3.025 -6.869 1.00 71.11 C ATOM 503 OG SER A 29 -11.902 -4.188 -7.208 1.00 51.52 O ATOM 0 H SER A 29 -12.698 -0.780 -4.518 1.00 71.35 H new ATOM 0 HA SER A 29 -11.582 -2.645 -5.048 1.00 54.03 H new ATOM 0 HB2 SER A 29 -13.556 -3.312 -6.374 1.00 71.11 H new ATOM 0 HB3 SER A 29 -12.904 -2.495 -7.781 1.00 71.11 H new ATOM 0 HG SER A 29 -12.449 -4.757 -7.789 1.00 51.52 H new ATOM 509 N VAL A 30 -9.453 -1.462 -5.694 1.00 43.41 N ATOM 510 CA VAL A 30 -8.143 -0.907 -6.086 1.00 2.13 C ATOM 511 C VAL A 30 -7.239 -2.002 -6.667 1.00 11.41 C ATOM 512 O VAL A 30 -7.317 -3.170 -6.271 1.00 12.23 O ATOM 513 CB VAL A 30 -7.420 -0.205 -4.860 1.00 43.41 C ATOM 514 CG1 VAL A 30 -7.058 -1.200 -3.731 1.00 73.23 C ATOM 515 CG2 VAL A 30 -6.173 0.605 -5.316 1.00 64.04 C ATOM 0 H VAL A 30 -9.508 -1.727 -4.711 1.00 43.41 H new ATOM 0 HA VAL A 30 -8.326 -0.154 -6.853 1.00 2.13 H new ATOM 0 HB VAL A 30 -8.141 0.497 -4.442 1.00 43.41 H new ATOM 0 HG11 VAL A 30 -6.566 -0.665 -2.919 1.00 73.23 H new ATOM 0 HG12 VAL A 30 -7.966 -1.672 -3.357 1.00 73.23 H new ATOM 0 HG13 VAL A 30 -6.386 -1.964 -4.121 1.00 73.23 H new ATOM 0 HG21 VAL A 30 -5.705 1.071 -4.449 1.00 64.04 H new ATOM 0 HG22 VAL A 30 -5.460 -0.065 -5.797 1.00 64.04 H new ATOM 0 HG23 VAL A 30 -6.479 1.377 -6.022 1.00 64.04 H new ATOM 525 N GLN A 31 -6.413 -1.614 -7.643 1.00 61.21 N ATOM 526 CA GLN A 31 -5.387 -2.485 -8.225 1.00 35.15 C ATOM 527 C GLN A 31 -4.183 -2.522 -7.269 1.00 41.41 C ATOM 528 O GLN A 31 -3.631 -1.469 -6.942 1.00 0.32 O ATOM 529 CB GLN A 31 -4.968 -1.953 -9.622 1.00 32.31 C ATOM 530 CG GLN A 31 -6.138 -1.786 -10.613 1.00 45.32 C ATOM 531 CD GLN A 31 -5.718 -1.159 -11.948 1.00 32.44 C ATOM 532 OE1 GLN A 31 -5.724 0.162 -12.020 1.00 33.52 O flip ATOM 533 NE2 GLN A 31 -5.377 -1.859 -12.897 1.00 10.33 N flip ATOM 0 H GLN A 31 -6.437 -0.681 -8.054 1.00 61.21 H new ATOM 0 HA GLN A 31 -5.777 -3.494 -8.356 1.00 35.15 H new ATOM 0 HB2 GLN A 31 -4.472 -0.990 -9.498 1.00 32.31 H new ATOM 0 HB3 GLN A 31 -4.236 -2.636 -10.054 1.00 32.31 H new ATOM 0 HG2 GLN A 31 -6.586 -2.761 -10.803 1.00 45.32 H new ATOM 0 HG3 GLN A 31 -6.908 -1.165 -10.154 1.00 45.32 H new ATOM 0 HE21 GLN A 31 -5.383 -2.875 -12.809 1.00 10.33 H new ATOM 0 HE22 GLN A 31 -5.087 -1.424 -13.773 1.00 10.33 H new ATOM 542 N TYR A 32 -3.809 -3.716 -6.797 1.00 61.43 N ATOM 543 CA TYR A 32 -2.670 -3.896 -5.879 1.00 52.42 C ATOM 544 C TYR A 32 -2.048 -5.284 -6.092 1.00 13.02 C ATOM 545 O TYR A 32 -2.748 -6.232 -6.457 1.00 43.54 O ATOM 546 CB TYR A 32 -3.098 -3.676 -4.393 1.00 21.23 C ATOM 547 CG TYR A 32 -4.102 -4.712 -3.828 1.00 50.53 C ATOM 548 CD1 TYR A 32 -5.478 -4.561 -4.014 1.00 1.42 C ATOM 549 CD2 TYR A 32 -3.669 -5.835 -3.110 1.00 51.41 C ATOM 550 CE1 TYR A 32 -6.377 -5.485 -3.521 1.00 54.34 C ATOM 551 CE2 TYR A 32 -4.566 -6.760 -2.615 1.00 43.51 C ATOM 552 CZ TYR A 32 -5.917 -6.578 -2.821 1.00 5.23 C ATOM 553 OH TYR A 32 -6.809 -7.502 -2.335 1.00 15.11 O ATOM 0 H TYR A 32 -4.284 -4.586 -7.038 1.00 61.43 H new ATOM 0 HA TYR A 32 -1.915 -3.142 -6.102 1.00 52.42 H new ATOM 0 HB2 TYR A 32 -2.203 -3.686 -3.770 1.00 21.23 H new ATOM 0 HB3 TYR A 32 -3.538 -2.683 -4.303 1.00 21.23 H new ATOM 0 HD1 TYR A 32 -5.847 -3.702 -4.555 1.00 1.42 H new ATOM 0 HD2 TYR A 32 -2.612 -5.980 -2.941 1.00 51.41 H new ATOM 0 HE1 TYR A 32 -7.436 -5.351 -3.683 1.00 54.34 H new ATOM 0 HE2 TYR A 32 -4.211 -7.622 -2.069 1.00 43.51 H new ATOM 0 HH TYR A 32 -6.322 -8.212 -1.866 1.00 15.11 H new ATOM 563 N THR A 33 -0.730 -5.382 -5.871 1.00 1.30 N ATOM 564 CA THR A 33 0.053 -6.609 -6.071 1.00 54.21 C ATOM 565 C THR A 33 1.110 -6.711 -4.961 1.00 22.24 C ATOM 566 O THR A 33 1.912 -5.793 -4.784 1.00 34.14 O ATOM 567 CB THR A 33 0.762 -6.604 -7.477 1.00 35.22 C ATOM 568 OG1 THR A 33 -0.206 -6.382 -8.521 1.00 71.43 O ATOM 569 CG2 THR A 33 1.515 -7.923 -7.769 1.00 11.42 C ATOM 0 H THR A 33 -0.168 -4.597 -5.542 1.00 1.30 H new ATOM 0 HA THR A 33 -0.619 -7.466 -6.033 1.00 54.21 H new ATOM 0 HB THR A 33 1.493 -5.796 -7.453 1.00 35.22 H new ATOM 0 HG1 THR A 33 0.246 -6.379 -9.391 1.00 71.43 H new ATOM 0 HG21 THR A 33 1.985 -7.864 -8.751 1.00 11.42 H new ATOM 0 HG22 THR A 33 2.281 -8.081 -7.009 1.00 11.42 H new ATOM 0 HG23 THR A 33 0.811 -8.755 -7.753 1.00 11.42 H new ATOM 577 N GLU A 34 1.093 -7.819 -4.216 1.00 12.24 N ATOM 578 CA GLU A 34 2.088 -8.106 -3.175 1.00 73.30 C ATOM 579 C GLU A 34 3.305 -8.785 -3.839 1.00 73.41 C ATOM 580 O GLU A 34 3.147 -9.676 -4.682 1.00 5.45 O ATOM 581 CB GLU A 34 1.416 -8.999 -2.084 1.00 45.11 C ATOM 582 CG GLU A 34 2.274 -9.340 -0.840 1.00 60.14 C ATOM 583 CD GLU A 34 3.266 -10.496 -1.059 1.00 61.32 C ATOM 584 OE1 GLU A 34 2.816 -11.645 -1.257 1.00 41.34 O ATOM 585 OE2 GLU A 34 4.493 -10.264 -1.044 1.00 51.24 O ATOM 0 H GLU A 34 0.386 -8.547 -4.317 1.00 12.24 H new ATOM 0 HA GLU A 34 2.443 -7.199 -2.685 1.00 73.30 H new ATOM 0 HB2 GLU A 34 0.509 -8.498 -1.745 1.00 45.11 H new ATOM 0 HB3 GLU A 34 1.108 -9.934 -2.552 1.00 45.11 H new ATOM 0 HG2 GLU A 34 2.829 -8.451 -0.540 1.00 60.14 H new ATOM 0 HG3 GLU A 34 1.611 -9.596 -0.014 1.00 60.14 H new ATOM 592 N THR A 35 4.520 -8.338 -3.458 1.00 13.23 N ATOM 593 CA THR A 35 5.788 -8.817 -4.039 1.00 1.50 C ATOM 594 C THR A 35 6.877 -8.867 -2.948 1.00 24.43 C ATOM 595 O THR A 35 7.344 -7.826 -2.485 1.00 21.12 O ATOM 596 CB THR A 35 6.239 -7.878 -5.215 1.00 73.30 C ATOM 597 OG1 THR A 35 5.197 -7.804 -6.207 1.00 51.41 O ATOM 598 CG2 THR A 35 7.537 -8.361 -5.892 1.00 62.23 C ATOM 0 H THR A 35 4.648 -7.631 -2.734 1.00 13.23 H new ATOM 0 HA THR A 35 5.638 -9.821 -4.437 1.00 1.50 H new ATOM 0 HB THR A 35 6.431 -6.896 -4.782 1.00 73.30 H new ATOM 0 HG1 THR A 35 5.482 -7.216 -6.938 1.00 51.41 H new ATOM 0 HG21 THR A 35 7.804 -7.677 -6.697 1.00 62.23 H new ATOM 0 HG22 THR A 35 8.342 -8.389 -5.158 1.00 62.23 H new ATOM 0 HG23 THR A 35 7.384 -9.360 -6.301 1.00 62.23 H new ATOM 606 N THR A 36 7.263 -10.077 -2.527 1.00 4.24 N ATOM 607 CA THR A 36 8.332 -10.274 -1.531 1.00 2.31 C ATOM 608 C THR A 36 9.714 -10.125 -2.195 1.00 64.32 C ATOM 609 O THR A 36 9.931 -10.634 -3.292 1.00 11.20 O ATOM 610 CB THR A 36 8.205 -11.679 -0.850 1.00 32.15 C ATOM 611 OG1 THR A 36 6.888 -11.846 -0.299 1.00 53.01 O ATOM 612 CG2 THR A 36 9.233 -11.886 0.279 1.00 13.01 C ATOM 0 H THR A 36 6.848 -10.946 -2.863 1.00 4.24 H new ATOM 0 HA THR A 36 8.228 -9.510 -0.761 1.00 2.31 H new ATOM 0 HB THR A 36 8.397 -12.417 -1.628 1.00 32.15 H new ATOM 0 HG1 THR A 36 6.303 -11.131 -0.626 1.00 53.01 H new ATOM 0 HG21 THR A 36 9.100 -12.876 0.716 1.00 13.01 H new ATOM 0 HG22 THR A 36 10.241 -11.801 -0.127 1.00 13.01 H new ATOM 0 HG23 THR A 36 9.087 -11.128 1.048 1.00 13.01 H new ATOM 620 N ARG A 37 10.630 -9.401 -1.530 1.00 41.10 N ATOM 621 CA ARG A 37 12.021 -9.239 -1.974 1.00 45.42 C ATOM 622 C ARG A 37 12.955 -9.356 -0.755 1.00 10.12 C ATOM 623 O ARG A 37 12.839 -8.559 0.193 1.00 64.01 O ATOM 624 CB ARG A 37 12.227 -7.874 -2.692 1.00 44.25 C ATOM 625 CG ARG A 37 13.622 -7.716 -3.351 1.00 13.20 C ATOM 626 CD ARG A 37 13.862 -8.741 -4.479 1.00 70.43 C ATOM 627 NE ARG A 37 15.224 -8.667 -5.041 1.00 24.42 N ATOM 628 CZ ARG A 37 15.704 -9.474 -6.011 1.00 34.41 C ATOM 629 NH1 ARG A 37 14.946 -10.432 -6.537 1.00 11.31 N ATOM 630 NH2 ARG A 37 16.945 -9.317 -6.456 1.00 53.20 N ATOM 0 H ARG A 37 10.422 -8.908 -0.662 1.00 41.10 H new ATOM 0 HA ARG A 37 12.257 -10.024 -2.692 1.00 45.42 H new ATOM 0 HB2 ARG A 37 11.459 -7.757 -3.457 1.00 44.25 H new ATOM 0 HB3 ARG A 37 12.083 -7.070 -1.971 1.00 44.25 H new ATOM 0 HG2 ARG A 37 13.718 -6.708 -3.754 1.00 13.20 H new ATOM 0 HG3 ARG A 37 14.395 -7.830 -2.591 1.00 13.20 H new ATOM 0 HD2 ARG A 37 13.687 -9.746 -4.094 1.00 70.43 H new ATOM 0 HD3 ARG A 37 13.136 -8.574 -5.275 1.00 70.43 H new ATOM 0 HE ARG A 37 15.850 -7.953 -4.669 1.00 24.42 H new ATOM 0 HH11 ARG A 37 13.990 -10.564 -6.208 1.00 11.31 H new ATOM 0 HH12 ARG A 37 15.321 -11.035 -7.269 1.00 11.31 H new ATOM 0 HH21 ARG A 37 17.538 -8.585 -6.065 1.00 53.20 H new ATOM 0 HH22 ARG A 37 17.305 -9.928 -7.189 1.00 53.20 H new ATOM 644 N ASN A 38 13.845 -10.377 -0.794 1.00 4.23 N ATOM 645 CA ASN A 38 14.875 -10.645 0.246 1.00 71.33 C ATOM 646 C ASN A 38 14.247 -10.997 1.613 1.00 31.43 C ATOM 647 O ASN A 38 14.924 -10.958 2.652 1.00 63.22 O ATOM 648 CB ASN A 38 15.854 -9.441 0.378 1.00 1.03 C ATOM 649 CG ASN A 38 16.541 -9.059 -0.933 1.00 63.22 C ATOM 650 OD1 ASN A 38 16.881 -9.917 -1.744 1.00 42.41 O ATOM 651 ND2 ASN A 38 16.698 -7.771 -1.164 1.00 40.15 N ATOM 0 H ASN A 38 13.870 -11.050 -1.560 1.00 4.23 H new ATOM 0 HA ASN A 38 15.441 -11.518 -0.080 1.00 71.33 H new ATOM 0 HB2 ASN A 38 15.305 -8.578 0.755 1.00 1.03 H new ATOM 0 HB3 ASN A 38 16.615 -9.683 1.119 1.00 1.03 H new ATOM 0 HD21 ASN A 38 17.114 -7.457 -2.041 1.00 40.15 H new ATOM 0 HD22 ASN A 38 16.403 -7.088 -0.466 1.00 40.15 H new ATOM 658 N GLY A 39 12.962 -11.383 1.584 1.00 51.21 N ATOM 659 CA GLY A 39 12.218 -11.735 2.789 1.00 55.43 C ATOM 660 C GLY A 39 11.250 -10.650 3.239 1.00 13.52 C ATOM 661 O GLY A 39 10.368 -10.926 4.045 1.00 75.15 O ATOM 0 H GLY A 39 12.417 -11.458 0.725 1.00 51.21 H new ATOM 0 HA2 GLY A 39 11.663 -12.655 2.608 1.00 55.43 H new ATOM 0 HA3 GLY A 39 12.922 -11.941 3.595 1.00 55.43 H new ATOM 665 N ARG A 40 11.403 -9.410 2.731 1.00 5.43 N ATOM 666 CA ARG A 40 10.475 -8.301 3.041 1.00 10.25 C ATOM 667 C ARG A 40 9.436 -8.149 1.925 1.00 11.31 C ATOM 668 O ARG A 40 9.786 -7.819 0.791 1.00 45.22 O ATOM 669 CB ARG A 40 11.239 -6.965 3.237 1.00 32.33 C ATOM 670 CG ARG A 40 12.094 -6.889 4.515 1.00 60.11 C ATOM 671 CD ARG A 40 12.746 -5.512 4.714 1.00 41.10 C ATOM 672 NE ARG A 40 13.320 -5.351 6.068 1.00 75.04 N ATOM 673 CZ ARG A 40 14.579 -5.626 6.431 1.00 64.12 C ATOM 674 NH1 ARG A 40 15.460 -6.078 5.549 1.00 10.34 N ATOM 675 NH2 ARG A 40 14.939 -5.456 7.692 1.00 52.44 N ATOM 0 H ARG A 40 12.163 -9.150 2.102 1.00 5.43 H new ATOM 0 HA ARG A 40 9.967 -8.543 3.974 1.00 10.25 H new ATOM 0 HB2 ARG A 40 11.886 -6.803 2.375 1.00 32.33 H new ATOM 0 HB3 ARG A 40 10.517 -6.149 3.251 1.00 32.33 H new ATOM 0 HG2 ARG A 40 11.470 -7.119 5.379 1.00 60.11 H new ATOM 0 HG3 ARG A 40 12.872 -7.651 4.472 1.00 60.11 H new ATOM 0 HD2 ARG A 40 13.531 -5.374 3.971 1.00 41.10 H new ATOM 0 HD3 ARG A 40 12.003 -4.733 4.542 1.00 41.10 H new ATOM 0 HE ARG A 40 12.697 -4.997 6.794 1.00 75.04 H new ATOM 0 HH11 ARG A 40 15.182 -6.221 4.578 1.00 10.34 H new ATOM 0 HH12 ARG A 40 16.415 -6.283 5.842 1.00 10.34 H new ATOM 0 HH21 ARG A 40 14.261 -5.119 8.375 1.00 52.44 H new ATOM 0 HH22 ARG A 40 15.895 -5.662 7.982 1.00 52.44 H new ATOM 689 N ARG A 41 8.156 -8.385 2.265 1.00 13.55 N ATOM 690 CA ARG A 41 7.036 -8.229 1.329 1.00 74.31 C ATOM 691 C ARG A 41 6.662 -6.735 1.183 1.00 14.03 C ATOM 692 O ARG A 41 6.443 -6.036 2.186 1.00 42.30 O ATOM 693 CB ARG A 41 5.819 -9.099 1.791 1.00 32.32 C ATOM 694 CG ARG A 41 5.224 -8.749 3.175 1.00 52.31 C ATOM 695 CD ARG A 41 4.087 -9.703 3.616 1.00 61.11 C ATOM 696 NE ARG A 41 4.575 -11.044 4.006 1.00 73.35 N ATOM 697 CZ ARG A 41 3.860 -11.969 4.683 1.00 0.00 C ATOM 698 NH1 ARG A 41 2.598 -11.727 5.046 1.00 51.21 N ATOM 699 NH2 ARG A 41 4.440 -13.108 5.046 1.00 52.04 N ATOM 0 H ARG A 41 7.873 -8.689 3.197 1.00 13.55 H new ATOM 0 HA ARG A 41 7.337 -8.586 0.344 1.00 74.31 H new ATOM 0 HB2 ARG A 41 5.030 -9.010 1.045 1.00 32.32 H new ATOM 0 HB3 ARG A 41 6.129 -10.144 1.804 1.00 32.32 H new ATOM 0 HG2 ARG A 41 6.019 -8.774 3.921 1.00 52.31 H new ATOM 0 HG3 ARG A 41 4.842 -7.728 3.150 1.00 52.31 H new ATOM 0 HD2 ARG A 41 3.553 -9.259 4.456 1.00 61.11 H new ATOM 0 HD3 ARG A 41 3.370 -9.806 2.801 1.00 61.11 H new ATOM 0 HE ARG A 41 5.529 -11.290 3.742 1.00 73.35 H new ATOM 0 HH11 ARG A 41 2.162 -10.835 4.812 1.00 51.21 H new ATOM 0 HH12 ARG A 41 2.070 -12.434 5.557 1.00 51.21 H new ATOM 0 HH21 ARG A 41 5.418 -13.279 4.813 1.00 52.04 H new ATOM 0 HH22 ARG A 41 3.907 -13.811 5.557 1.00 52.04 H new ATOM 713 N GLN A 42 6.677 -6.229 -0.066 1.00 71.21 N ATOM 714 CA GLN A 42 6.181 -4.877 -0.396 1.00 75.23 C ATOM 715 C GLN A 42 4.762 -4.991 -0.965 1.00 71.54 C ATOM 716 O GLN A 42 4.413 -6.014 -1.574 1.00 73.12 O ATOM 717 CB GLN A 42 7.097 -4.140 -1.424 1.00 1.43 C ATOM 718 CG GLN A 42 7.086 -4.704 -2.869 1.00 2.31 C ATOM 719 CD GLN A 42 7.838 -3.855 -3.901 1.00 35.22 C ATOM 720 OE1 GLN A 42 7.481 -3.828 -5.080 1.00 4.35 O ATOM 721 NE2 GLN A 42 8.894 -3.171 -3.481 1.00 15.51 N ATOM 0 H GLN A 42 7.032 -6.743 -0.872 1.00 71.21 H new ATOM 0 HA GLN A 42 6.185 -4.288 0.521 1.00 75.23 H new ATOM 0 HB2 GLN A 42 6.798 -3.092 -1.462 1.00 1.43 H new ATOM 0 HB3 GLN A 42 8.121 -4.166 -1.052 1.00 1.43 H new ATOM 0 HG2 GLN A 42 7.521 -5.703 -2.856 1.00 2.31 H new ATOM 0 HG3 GLN A 42 6.051 -4.811 -3.193 1.00 2.31 H new ATOM 0 HE21 GLN A 42 9.169 -3.210 -2.500 1.00 15.51 H new ATOM 0 HE22 GLN A 42 9.431 -2.606 -4.139 1.00 15.51 H new ATOM 730 N LEU A 43 3.940 -3.961 -0.754 1.00 14.34 N ATOM 731 CA LEU A 43 2.605 -3.887 -1.363 1.00 43.33 C ATOM 732 C LEU A 43 2.644 -2.792 -2.428 1.00 12.43 C ATOM 733 O LEU A 43 2.708 -1.617 -2.089 1.00 31.11 O ATOM 734 CB LEU A 43 1.513 -3.590 -0.272 1.00 60.24 C ATOM 735 CG LEU A 43 0.191 -4.421 -0.384 1.00 42.44 C ATOM 736 CD1 LEU A 43 -0.746 -4.129 0.809 1.00 23.05 C ATOM 737 CD2 LEU A 43 -0.514 -4.200 -1.736 1.00 61.22 C ATOM 0 H LEU A 43 4.174 -3.163 -0.164 1.00 14.34 H new ATOM 0 HA LEU A 43 2.338 -4.839 -1.821 1.00 43.33 H new ATOM 0 HB2 LEU A 43 1.950 -3.770 0.710 1.00 60.24 H new ATOM 0 HB3 LEU A 43 1.259 -2.531 -0.319 1.00 60.24 H new ATOM 0 HG LEU A 43 0.460 -5.477 -0.343 1.00 42.44 H new ATOM 0 HD11 LEU A 43 -1.658 -4.718 0.708 1.00 23.05 H new ATOM 0 HD12 LEU A 43 -0.244 -4.394 1.739 1.00 23.05 H new ATOM 0 HD13 LEU A 43 -0.999 -3.069 0.822 1.00 23.05 H new ATOM 0 HD21 LEU A 43 -1.427 -4.795 -1.772 1.00 61.22 H new ATOM 0 HD22 LEU A 43 -0.764 -3.145 -1.848 1.00 61.22 H new ATOM 0 HD23 LEU A 43 0.149 -4.504 -2.546 1.00 61.22 H new ATOM 749 N THR A 44 2.611 -3.191 -3.704 1.00 13.21 N ATOM 750 CA THR A 44 2.578 -2.257 -4.830 1.00 34.51 C ATOM 751 C THR A 44 1.108 -1.919 -5.148 1.00 30.23 C ATOM 752 O THR A 44 0.391 -2.722 -5.739 1.00 22.42 O ATOM 753 CB THR A 44 3.303 -2.894 -6.068 1.00 72.43 C ATOM 754 OG1 THR A 44 4.657 -3.223 -5.711 1.00 63.43 O ATOM 755 CG2 THR A 44 3.318 -1.966 -7.293 1.00 4.40 C ATOM 0 H THR A 44 2.606 -4.172 -3.983 1.00 13.21 H new ATOM 0 HA THR A 44 3.102 -1.335 -4.578 1.00 34.51 H new ATOM 0 HB THR A 44 2.743 -3.788 -6.343 1.00 72.43 H new ATOM 0 HG1 THR A 44 5.111 -3.622 -6.482 1.00 63.43 H new ATOM 0 HG21 THR A 44 3.832 -2.460 -8.117 1.00 4.40 H new ATOM 0 HG22 THR A 44 2.294 -1.737 -7.589 1.00 4.40 H new ATOM 0 HG23 THR A 44 3.838 -1.041 -7.043 1.00 4.40 H new ATOM 763 N ILE A 45 0.677 -0.727 -4.721 1.00 22.53 N ATOM 764 CA ILE A 45 -0.684 -0.221 -4.941 1.00 3.22 C ATOM 765 C ILE A 45 -0.648 0.734 -6.129 1.00 25.31 C ATOM 766 O ILE A 45 0.166 1.641 -6.166 1.00 45.42 O ATOM 767 CB ILE A 45 -1.218 0.528 -3.669 1.00 11.11 C ATOM 768 CG1 ILE A 45 -1.170 -0.422 -2.436 1.00 24.44 C ATOM 769 CG2 ILE A 45 -2.652 1.092 -3.897 1.00 1.04 C ATOM 770 CD1 ILE A 45 -1.635 0.199 -1.145 1.00 1.50 C ATOM 0 H ILE A 45 1.271 -0.077 -4.206 1.00 22.53 H new ATOM 0 HA ILE A 45 -1.355 -1.056 -5.140 1.00 3.22 H new ATOM 0 HB ILE A 45 -0.570 1.383 -3.475 1.00 11.11 H new ATOM 0 HG12 ILE A 45 -1.785 -1.297 -2.645 1.00 24.44 H new ATOM 0 HG13 ILE A 45 -0.147 -0.775 -2.306 1.00 24.44 H new ATOM 0 HG21 ILE A 45 -2.989 1.604 -2.996 1.00 1.04 H new ATOM 0 HG22 ILE A 45 -2.638 1.795 -4.730 1.00 1.04 H new ATOM 0 HG23 ILE A 45 -3.333 0.272 -4.125 1.00 1.04 H new ATOM 0 HD11 ILE A 45 -1.567 -0.536 -0.343 1.00 1.50 H new ATOM 0 HD12 ILE A 45 -1.006 1.057 -0.906 1.00 1.50 H new ATOM 0 HD13 ILE A 45 -2.669 0.526 -1.250 1.00 1.50 H new ATOM 782 N ARG A 46 -1.528 0.515 -7.100 1.00 4.43 N ATOM 783 CA ARG A 46 -1.565 1.281 -8.352 1.00 44.43 C ATOM 784 C ARG A 46 -2.965 1.864 -8.550 1.00 40.01 C ATOM 785 O ARG A 46 -3.961 1.135 -8.598 1.00 50.31 O ATOM 786 CB ARG A 46 -1.135 0.367 -9.519 1.00 12.04 C ATOM 787 CG ARG A 46 0.351 -0.062 -9.426 1.00 20.40 C ATOM 788 CD ARG A 46 0.746 -1.086 -10.491 1.00 10.33 C ATOM 789 NE ARG A 46 2.210 -1.284 -10.548 1.00 20.15 N ATOM 790 CZ ARG A 46 2.866 -1.827 -11.588 1.00 5.41 C ATOM 791 NH1 ARG A 46 2.201 -2.225 -12.671 1.00 54.42 N ATOM 792 NH2 ARG A 46 4.186 -1.932 -11.548 1.00 40.15 N ATOM 0 H ARG A 46 -2.246 -0.207 -7.044 1.00 4.43 H new ATOM 0 HA ARG A 46 -0.867 2.117 -8.315 1.00 44.43 H new ATOM 0 HB2 ARG A 46 -1.766 -0.522 -9.530 1.00 12.04 H new ATOM 0 HB3 ARG A 46 -1.300 0.887 -10.463 1.00 12.04 H new ATOM 0 HG2 ARG A 46 0.985 0.819 -9.525 1.00 20.40 H new ATOM 0 HG3 ARG A 46 0.541 -0.482 -8.438 1.00 20.40 H new ATOM 0 HD2 ARG A 46 0.259 -2.038 -10.278 1.00 10.33 H new ATOM 0 HD3 ARG A 46 0.386 -0.754 -11.465 1.00 10.33 H new ATOM 0 HE ARG A 46 2.761 -0.988 -9.742 1.00 20.15 H new ATOM 0 HH11 ARG A 46 1.188 -2.119 -12.715 1.00 54.42 H new ATOM 0 HH12 ARG A 46 2.705 -2.636 -13.457 1.00 54.42 H new ATOM 0 HH21 ARG A 46 4.699 -1.602 -10.731 1.00 40.15 H new ATOM 0 HH22 ARG A 46 4.689 -2.343 -12.334 1.00 40.15 H new ATOM 806 N SER A 47 -3.014 3.194 -8.628 1.00 14.11 N ATOM 807 CA SER A 47 -4.248 3.964 -8.685 1.00 35.11 C ATOM 808 C SER A 47 -4.357 4.710 -10.018 1.00 40.12 C ATOM 809 O SER A 47 -3.346 4.981 -10.690 1.00 3.22 O ATOM 810 CB SER A 47 -4.273 4.948 -7.512 1.00 70.23 C ATOM 811 OG SER A 47 -5.390 5.814 -7.570 1.00 42.51 O ATOM 0 H SER A 47 -2.176 3.775 -8.654 1.00 14.11 H new ATOM 0 HA SER A 47 -5.101 3.290 -8.612 1.00 35.11 H new ATOM 0 HB2 SER A 47 -4.293 4.393 -6.574 1.00 70.23 H new ATOM 0 HB3 SER A 47 -3.356 5.538 -7.514 1.00 70.23 H new ATOM 0 HG SER A 47 -6.194 5.297 -7.788 1.00 42.51 H new ATOM 817 N ASN A 48 -5.609 5.049 -10.377 1.00 74.01 N ATOM 818 CA ASN A 48 -5.942 5.747 -11.630 1.00 10.44 C ATOM 819 C ASN A 48 -6.257 7.227 -11.379 1.00 40.10 C ATOM 820 O ASN A 48 -6.417 7.980 -12.333 1.00 31.03 O ATOM 821 CB ASN A 48 -7.153 5.062 -12.307 1.00 22.25 C ATOM 822 CG ASN A 48 -6.875 3.615 -12.718 1.00 34.24 C ATOM 823 OD1 ASN A 48 -6.395 3.414 -13.935 1.00 25.32 O flip ATOM 824 ND2 ASN A 48 -7.091 2.690 -11.941 1.00 32.45 N flip ATOM 0 H ASN A 48 -6.424 4.844 -9.799 1.00 74.01 H new ATOM 0 HA ASN A 48 -5.074 5.692 -12.287 1.00 10.44 H new ATOM 0 HB2 ASN A 48 -8.002 5.082 -11.624 1.00 22.25 H new ATOM 0 HB3 ASN A 48 -7.440 5.635 -13.189 1.00 22.25 H new ATOM 0 HD21 ASN A 48 -7.461 2.882 -11.010 1.00 32.45 H new ATOM 0 HD22 ASN A 48 -6.900 1.729 -12.226 1.00 32.45 H new ATOM 831 N ASP A 49 -6.333 7.645 -10.105 1.00 64.25 N ATOM 832 CA ASP A 49 -6.732 9.017 -9.735 1.00 22.24 C ATOM 833 C ASP A 49 -5.940 9.510 -8.516 1.00 63.12 C ATOM 834 O ASP A 49 -5.589 8.722 -7.647 1.00 70.45 O ATOM 835 CB ASP A 49 -8.251 9.094 -9.471 1.00 72.44 C ATOM 836 CG ASP A 49 -8.733 10.518 -9.161 1.00 72.21 C ATOM 837 OD1 ASP A 49 -8.844 11.343 -10.096 1.00 51.11 O ATOM 838 OD2 ASP A 49 -8.965 10.831 -7.985 1.00 71.04 O ATOM 0 H ASP A 49 -6.122 7.048 -9.306 1.00 64.25 H new ATOM 0 HA ASP A 49 -6.500 9.673 -10.574 1.00 22.24 H new ATOM 0 HB2 ASP A 49 -8.786 8.717 -10.343 1.00 72.44 H new ATOM 0 HB3 ASP A 49 -8.503 8.441 -8.636 1.00 72.44 H new ATOM 843 N LYS A 50 -5.671 10.836 -8.471 1.00 24.41 N ATOM 844 CA LYS A 50 -4.875 11.468 -7.403 1.00 71.03 C ATOM 845 C LYS A 50 -5.565 11.420 -6.030 1.00 54.44 C ATOM 846 O LYS A 50 -4.887 11.278 -5.012 1.00 32.43 O ATOM 847 CB LYS A 50 -4.511 12.929 -7.779 1.00 3.44 C ATOM 848 CG LYS A 50 -3.629 13.060 -9.044 1.00 12.44 C ATOM 849 CD LYS A 50 -2.335 12.216 -8.964 1.00 13.31 C ATOM 850 CE LYS A 50 -1.402 12.632 -7.818 1.00 20.24 C ATOM 851 NZ LYS A 50 -0.864 14.002 -8.018 1.00 23.41 N ATOM 0 H LYS A 50 -6.002 11.494 -9.176 1.00 24.41 H new ATOM 0 HA LYS A 50 -3.959 10.883 -7.314 1.00 71.03 H new ATOM 0 HB2 LYS A 50 -5.431 13.493 -7.932 1.00 3.44 H new ATOM 0 HB3 LYS A 50 -3.991 13.389 -6.939 1.00 3.44 H new ATOM 0 HG2 LYS A 50 -4.205 12.751 -9.916 1.00 12.44 H new ATOM 0 HG3 LYS A 50 -3.365 14.107 -9.190 1.00 12.44 H new ATOM 0 HD2 LYS A 50 -2.602 11.166 -8.841 1.00 13.31 H new ATOM 0 HD3 LYS A 50 -1.797 12.300 -9.908 1.00 13.31 H new ATOM 0 HE2 LYS A 50 -1.944 12.588 -6.873 1.00 20.24 H new ATOM 0 HE3 LYS A 50 -0.577 11.924 -7.745 1.00 20.24 H new ATOM 0 HZ1 LYS A 50 -0.199 14.229 -7.251 1.00 23.41 H new ATOM 0 HZ2 LYS A 50 -0.369 14.051 -8.931 1.00 23.41 H new ATOM 0 HZ3 LYS A 50 -1.647 14.687 -8.011 1.00 23.41 H new ATOM 865 N ASN A 51 -6.896 11.544 -5.995 1.00 32.24 N ATOM 866 CA ASN A 51 -7.662 11.455 -4.728 1.00 23.10 C ATOM 867 C ASN A 51 -7.717 9.994 -4.249 1.00 74.10 C ATOM 868 O ASN A 51 -7.747 9.730 -3.047 1.00 23.43 O ATOM 869 CB ASN A 51 -9.101 12.013 -4.887 1.00 23.41 C ATOM 870 CG ASN A 51 -9.139 13.447 -5.423 1.00 4.55 C ATOM 871 OD1 ASN A 51 -9.054 14.410 -4.667 1.00 4.32 O ATOM 872 ND2 ASN A 51 -9.279 13.601 -6.726 1.00 13.24 N ATOM 0 H ASN A 51 -7.472 11.706 -6.821 1.00 32.24 H new ATOM 0 HA ASN A 51 -7.148 12.065 -3.985 1.00 23.10 H new ATOM 0 HB2 ASN A 51 -9.662 11.366 -5.561 1.00 23.41 H new ATOM 0 HB3 ASN A 51 -9.605 11.980 -3.921 1.00 23.41 H new ATOM 0 HD21 ASN A 51 -9.319 14.538 -7.127 1.00 13.24 H new ATOM 0 HD22 ASN A 51 -9.347 12.783 -7.332 1.00 13.24 H new ATOM 879 N GLU A 52 -7.733 9.054 -5.218 1.00 13.11 N ATOM 880 CA GLU A 52 -7.794 7.604 -4.941 1.00 12.54 C ATOM 881 C GLU A 52 -6.449 7.085 -4.394 1.00 51.51 C ATOM 882 O GLU A 52 -6.418 6.296 -3.432 1.00 32.35 O ATOM 883 CB GLU A 52 -8.212 6.836 -6.221 1.00 24.44 C ATOM 884 CG GLU A 52 -8.388 5.309 -6.047 1.00 50.34 C ATOM 885 CD GLU A 52 -8.777 4.593 -7.355 1.00 61.00 C ATOM 886 OE1 GLU A 52 -7.912 4.461 -8.256 1.00 71.51 O ATOM 887 OE2 GLU A 52 -9.950 4.197 -7.508 1.00 12.33 O ATOM 0 H GLU A 52 -7.704 9.279 -6.212 1.00 13.11 H new ATOM 0 HA GLU A 52 -8.546 7.429 -4.172 1.00 12.54 H new ATOM 0 HB2 GLU A 52 -9.150 7.254 -6.586 1.00 24.44 H new ATOM 0 HB3 GLU A 52 -7.463 7.013 -6.992 1.00 24.44 H new ATOM 0 HG2 GLU A 52 -7.459 4.883 -5.669 1.00 50.34 H new ATOM 0 HG3 GLU A 52 -9.154 5.121 -5.295 1.00 50.34 H new ATOM 894 N VAL A 53 -5.335 7.541 -5.008 1.00 64.24 N ATOM 895 CA VAL A 53 -3.981 7.152 -4.575 1.00 51.54 C ATOM 896 C VAL A 53 -3.710 7.725 -3.179 1.00 23.02 C ATOM 897 O VAL A 53 -3.218 7.019 -2.302 1.00 72.14 O ATOM 898 CB VAL A 53 -2.846 7.586 -5.607 1.00 2.44 C ATOM 899 CG1 VAL A 53 -2.632 9.110 -5.679 1.00 50.22 C ATOM 900 CG2 VAL A 53 -1.512 6.853 -5.327 1.00 74.35 C ATOM 0 H VAL A 53 -5.350 8.178 -5.804 1.00 64.24 H new ATOM 0 HA VAL A 53 -3.945 6.063 -4.538 1.00 51.54 H new ATOM 0 HB VAL A 53 -3.209 7.280 -6.588 1.00 2.44 H new ATOM 0 HG11 VAL A 53 -1.846 9.333 -6.400 1.00 50.22 H new ATOM 0 HG12 VAL A 53 -3.558 9.593 -5.990 1.00 50.22 H new ATOM 0 HG13 VAL A 53 -2.340 9.483 -4.697 1.00 50.22 H new ATOM 0 HG21 VAL A 53 -0.762 7.174 -6.050 1.00 74.35 H new ATOM 0 HG22 VAL A 53 -1.170 7.091 -4.320 1.00 74.35 H new ATOM 0 HG23 VAL A 53 -1.663 5.777 -5.414 1.00 74.35 H new ATOM 910 N ASP A 54 -4.139 8.985 -2.965 1.00 54.12 N ATOM 911 CA ASP A 54 -3.852 9.736 -1.737 1.00 44.23 C ATOM 912 C ASP A 54 -4.699 9.226 -0.549 1.00 42.42 C ATOM 913 O ASP A 54 -4.272 9.331 0.600 1.00 10.23 O ATOM 914 CB ASP A 54 -4.074 11.251 -1.973 1.00 5.22 C ATOM 915 CG ASP A 54 -3.442 12.133 -0.887 1.00 53.34 C ATOM 916 OD1 ASP A 54 -2.233 12.432 -0.991 1.00 55.32 O ATOM 917 OD2 ASP A 54 -4.131 12.491 0.094 1.00 24.24 O ATOM 0 H ASP A 54 -4.695 9.507 -3.643 1.00 54.12 H new ATOM 0 HA ASP A 54 -2.806 9.575 -1.477 1.00 44.23 H new ATOM 0 HB2 ASP A 54 -3.658 11.526 -2.942 1.00 5.22 H new ATOM 0 HB3 ASP A 54 -5.144 11.452 -2.017 1.00 5.22 H new ATOM 922 N ARG A 55 -5.891 8.672 -0.860 1.00 41.15 N ATOM 923 CA ARG A 55 -6.833 8.077 0.127 1.00 11.13 C ATOM 924 C ARG A 55 -6.134 6.935 0.890 1.00 53.34 C ATOM 925 O ARG A 55 -6.179 6.860 2.120 1.00 73.40 O ATOM 926 CB ARG A 55 -8.110 7.554 -0.625 1.00 63.34 C ATOM 927 CG ARG A 55 -9.434 7.396 0.197 1.00 24.12 C ATOM 928 CD ARG A 55 -9.564 6.091 1.027 1.00 5.23 C ATOM 929 NE ARG A 55 -8.787 6.122 2.278 1.00 24.35 N ATOM 930 CZ ARG A 55 -9.188 6.652 3.446 1.00 73.01 C ATOM 931 NH1 ARG A 55 -10.388 7.206 3.575 1.00 41.33 N ATOM 932 NH2 ARG A 55 -8.357 6.661 4.471 1.00 73.13 N ATOM 0 H ARG A 55 -6.236 8.622 -1.819 1.00 41.15 H new ATOM 0 HA ARG A 55 -7.140 8.832 0.851 1.00 11.13 H new ATOM 0 HB2 ARG A 55 -8.311 8.233 -1.454 1.00 63.34 H new ATOM 0 HB3 ARG A 55 -7.868 6.584 -1.059 1.00 63.34 H new ATOM 0 HG2 ARG A 55 -9.522 8.245 0.875 1.00 24.12 H new ATOM 0 HG3 ARG A 55 -10.276 7.450 -0.493 1.00 24.12 H new ATOM 0 HD2 ARG A 55 -10.614 5.921 1.263 1.00 5.23 H new ATOM 0 HD3 ARG A 55 -9.233 5.248 0.421 1.00 5.23 H new ATOM 0 HE ARG A 55 -7.858 5.702 2.256 1.00 24.35 H new ATOM 0 HH11 ARG A 55 -11.025 7.235 2.779 1.00 41.33 H new ATOM 0 HH12 ARG A 55 -10.673 7.603 4.470 1.00 41.33 H new ATOM 0 HH21 ARG A 55 -7.421 6.268 4.372 1.00 73.13 H new ATOM 0 HH22 ARG A 55 -8.651 7.061 5.362 1.00 73.13 H new ATOM 946 N ILE A 56 -5.490 6.044 0.138 1.00 40.43 N ATOM 947 CA ILE A 56 -4.799 4.877 0.702 1.00 2.23 C ATOM 948 C ILE A 56 -3.410 5.287 1.236 1.00 34.11 C ATOM 949 O ILE A 56 -2.955 4.780 2.264 1.00 54.04 O ATOM 950 CB ILE A 56 -4.682 3.735 -0.369 1.00 32.25 C ATOM 951 CG1 ILE A 56 -6.094 3.427 -0.982 1.00 62.32 C ATOM 952 CG2 ILE A 56 -4.056 2.463 0.253 1.00 33.21 C ATOM 953 CD1 ILE A 56 -6.092 2.411 -2.106 1.00 52.34 C ATOM 0 H ILE A 56 -5.430 6.107 -0.878 1.00 40.43 H new ATOM 0 HA ILE A 56 -5.383 4.491 1.537 1.00 2.23 H new ATOM 0 HB ILE A 56 -4.024 4.071 -1.170 1.00 32.25 H new ATOM 0 HG12 ILE A 56 -6.749 3.068 -0.188 1.00 62.32 H new ATOM 0 HG13 ILE A 56 -6.524 4.357 -1.353 1.00 62.32 H new ATOM 0 HG21 ILE A 56 -3.984 1.684 -0.506 1.00 33.21 H new ATOM 0 HG22 ILE A 56 -3.060 2.695 0.630 1.00 33.21 H new ATOM 0 HG23 ILE A 56 -4.682 2.113 1.073 1.00 33.21 H new ATOM 0 HD11 ILE A 56 -7.111 2.264 -2.465 1.00 52.34 H new ATOM 0 HD12 ILE A 56 -5.468 2.773 -2.923 1.00 52.34 H new ATOM 0 HD13 ILE A 56 -5.696 1.464 -1.740 1.00 52.34 H new ATOM 965 N LEU A 57 -2.773 6.236 0.523 1.00 33.25 N ATOM 966 CA LEU A 57 -1.439 6.780 0.852 1.00 54.20 C ATOM 967 C LEU A 57 -1.402 7.364 2.278 1.00 24.15 C ATOM 968 O LEU A 57 -0.464 7.117 3.033 1.00 32.24 O ATOM 969 CB LEU A 57 -1.076 7.869 -0.190 1.00 50.32 C ATOM 970 CG LEU A 57 0.369 8.448 -0.158 1.00 1.20 C ATOM 971 CD1 LEU A 57 1.415 7.363 -0.478 1.00 2.14 C ATOM 972 CD2 LEU A 57 0.492 9.655 -1.120 1.00 25.12 C ATOM 0 H LEU A 57 -3.178 6.655 -0.314 1.00 33.25 H new ATOM 0 HA LEU A 57 -0.709 5.972 0.818 1.00 54.20 H new ATOM 0 HB2 LEU A 57 -1.249 7.454 -1.183 1.00 50.32 H new ATOM 0 HB3 LEU A 57 -1.772 8.698 -0.065 1.00 50.32 H new ATOM 0 HG LEU A 57 0.571 8.801 0.853 1.00 1.20 H new ATOM 0 HD11 LEU A 57 2.413 7.800 -0.448 1.00 2.14 H new ATOM 0 HD12 LEU A 57 1.346 6.563 0.259 1.00 2.14 H new ATOM 0 HD13 LEU A 57 1.226 6.958 -1.472 1.00 2.14 H new ATOM 0 HD21 LEU A 57 1.509 10.047 -1.084 1.00 25.12 H new ATOM 0 HD22 LEU A 57 0.262 9.335 -2.136 1.00 25.12 H new ATOM 0 HD23 LEU A 57 -0.208 10.434 -0.818 1.00 25.12 H new ATOM 984 N GLU A 58 -2.448 8.132 2.639 1.00 33.52 N ATOM 985 CA GLU A 58 -2.571 8.745 3.979 1.00 70.21 C ATOM 986 C GLU A 58 -2.839 7.664 5.034 1.00 34.32 C ATOM 987 O GLU A 58 -2.271 7.689 6.124 1.00 0.41 O ATOM 988 CB GLU A 58 -3.703 9.816 3.999 1.00 14.11 C ATOM 989 CG GLU A 58 -5.107 9.260 3.695 1.00 32.31 C ATOM 990 CD GLU A 58 -6.226 10.299 3.661 1.00 55.31 C ATOM 991 OE1 GLU A 58 -6.479 10.884 2.590 1.00 12.30 O ATOM 992 OE2 GLU A 58 -6.875 10.526 4.704 1.00 42.21 O ATOM 0 H GLU A 58 -3.227 8.345 2.016 1.00 33.52 H new ATOM 0 HA GLU A 58 -1.630 9.242 4.216 1.00 70.21 H new ATOM 0 HB2 GLU A 58 -3.718 10.293 4.979 1.00 14.11 H new ATOM 0 HB3 GLU A 58 -3.466 10.591 3.270 1.00 14.11 H new ATOM 0 HG2 GLU A 58 -5.077 8.750 2.732 1.00 32.31 H new ATOM 0 HG3 GLU A 58 -5.353 8.509 4.446 1.00 32.31 H new ATOM 999 N GLU A 59 -3.696 6.695 4.649 1.00 11.23 N ATOM 1000 CA GLU A 59 -4.235 5.680 5.545 1.00 21.13 C ATOM 1001 C GLU A 59 -3.115 4.799 6.100 1.00 12.21 C ATOM 1002 O GLU A 59 -2.974 4.677 7.311 1.00 63.42 O ATOM 1003 CB GLU A 59 -5.306 4.851 4.799 1.00 71.30 C ATOM 1004 CG GLU A 59 -6.047 3.829 5.673 1.00 5.52 C ATOM 1005 CD GLU A 59 -7.212 3.158 4.943 1.00 63.21 C ATOM 1006 OE1 GLU A 59 -7.001 2.115 4.287 1.00 12.45 O ATOM 1007 OE2 GLU A 59 -8.343 3.686 5.003 1.00 71.11 O ATOM 0 H GLU A 59 -4.031 6.605 3.690 1.00 11.23 H new ATOM 0 HA GLU A 59 -4.711 6.163 6.398 1.00 21.13 H new ATOM 0 HB2 GLU A 59 -6.036 5.533 4.363 1.00 71.30 H new ATOM 0 HB3 GLU A 59 -4.828 4.324 3.973 1.00 71.30 H new ATOM 0 HG2 GLU A 59 -5.344 3.065 6.005 1.00 5.52 H new ATOM 0 HG3 GLU A 59 -6.423 4.327 6.567 1.00 5.52 H new ATOM 1014 N VAL A 60 -2.286 4.249 5.195 1.00 42.55 N ATOM 1015 CA VAL A 60 -1.147 3.384 5.562 1.00 65.40 C ATOM 1016 C VAL A 60 -0.150 4.119 6.488 1.00 22.31 C ATOM 1017 O VAL A 60 0.368 3.531 7.447 1.00 43.32 O ATOM 1018 CB VAL A 60 -0.403 2.821 4.291 1.00 65.43 C ATOM 1019 CG1 VAL A 60 0.072 3.942 3.338 1.00 33.01 C ATOM 1020 CG2 VAL A 60 0.777 1.903 4.694 1.00 12.12 C ATOM 0 H VAL A 60 -2.385 4.390 4.190 1.00 42.55 H new ATOM 0 HA VAL A 60 -1.562 2.538 6.110 1.00 65.40 H new ATOM 0 HB VAL A 60 -1.132 2.224 3.742 1.00 65.43 H new ATOM 0 HG11 VAL A 60 0.578 3.500 2.480 1.00 33.01 H new ATOM 0 HG12 VAL A 60 -0.788 4.517 2.996 1.00 33.01 H new ATOM 0 HG13 VAL A 60 0.762 4.600 3.866 1.00 33.01 H new ATOM 0 HG21 VAL A 60 1.271 1.530 3.797 1.00 12.12 H new ATOM 0 HG22 VAL A 60 1.491 2.469 5.292 1.00 12.12 H new ATOM 0 HG23 VAL A 60 0.401 1.062 5.277 1.00 12.12 H new ATOM 1030 N ARG A 61 0.061 5.420 6.216 1.00 35.42 N ATOM 1031 CA ARG A 61 0.982 6.275 6.985 1.00 72.53 C ATOM 1032 C ARG A 61 0.451 6.547 8.409 1.00 31.44 C ATOM 1033 O ARG A 61 1.232 6.840 9.314 1.00 75.45 O ATOM 1034 CB ARG A 61 1.225 7.604 6.210 1.00 25.11 C ATOM 1035 CG ARG A 61 2.076 7.445 4.924 1.00 45.52 C ATOM 1036 CD ARG A 61 2.200 8.751 4.103 1.00 1.11 C ATOM 1037 NE ARG A 61 2.697 9.886 4.913 1.00 5.33 N ATOM 1038 CZ ARG A 61 3.374 10.960 4.456 1.00 53.44 C ATOM 1039 NH1 ARG A 61 3.673 11.090 3.164 1.00 50.14 N ATOM 1040 NH2 ARG A 61 3.729 11.907 5.320 1.00 23.44 N ATOM 0 H ARG A 61 -0.406 5.909 5.452 1.00 35.42 H new ATOM 0 HA ARG A 61 1.931 5.751 7.098 1.00 72.53 H new ATOM 0 HB2 ARG A 61 0.261 8.037 5.943 1.00 25.11 H new ATOM 0 HB3 ARG A 61 1.720 8.313 6.874 1.00 25.11 H new ATOM 0 HG2 ARG A 61 3.073 7.101 5.198 1.00 45.52 H new ATOM 0 HG3 ARG A 61 1.632 6.671 4.297 1.00 45.52 H new ATOM 0 HD2 ARG A 61 2.875 8.585 3.263 1.00 1.11 H new ATOM 0 HD3 ARG A 61 1.227 9.007 3.684 1.00 1.11 H new ATOM 0 HE ARG A 61 2.509 9.853 5.915 1.00 5.33 H new ATOM 0 HH11 ARG A 61 3.389 10.370 2.500 1.00 50.14 H new ATOM 0 HH12 ARG A 61 4.186 11.910 2.839 1.00 50.14 H new ATOM 0 HH21 ARG A 61 3.489 11.813 6.307 1.00 23.44 H new ATOM 0 HH22 ARG A 61 4.241 12.727 4.996 1.00 23.44 H new ATOM 1054 N ARG A 62 -0.880 6.458 8.596 1.00 53.20 N ATOM 1055 CA ARG A 62 -1.521 6.647 9.920 1.00 12.42 C ATOM 1056 C ARG A 62 -1.727 5.295 10.649 1.00 64.31 C ATOM 1057 O ARG A 62 -1.712 5.250 11.882 1.00 74.35 O ATOM 1058 CB ARG A 62 -2.885 7.378 9.768 1.00 1.04 C ATOM 1059 CG ARG A 62 -2.832 8.736 9.022 1.00 62.40 C ATOM 1060 CD ARG A 62 -1.918 9.786 9.680 1.00 73.10 C ATOM 1061 NE ARG A 62 -1.958 11.076 8.967 1.00 15.45 N ATOM 1062 CZ ARG A 62 -1.209 12.155 9.253 1.00 70.54 C ATOM 1063 NH1 ARG A 62 -0.317 12.135 10.244 1.00 44.22 N ATOM 1064 NH2 ARG A 62 -1.359 13.251 8.527 1.00 5.10 N ATOM 0 H ARG A 62 -1.539 6.255 7.844 1.00 53.20 H new ATOM 0 HA ARG A 62 -0.851 7.261 10.523 1.00 12.42 H new ATOM 0 HB2 ARG A 62 -3.574 6.719 9.240 1.00 1.04 H new ATOM 0 HB3 ARG A 62 -3.301 7.544 10.761 1.00 1.04 H new ATOM 0 HG2 ARG A 62 -2.491 8.563 8.001 1.00 62.40 H new ATOM 0 HG3 ARG A 62 -3.842 9.141 8.956 1.00 62.40 H new ATOM 0 HD2 ARG A 62 -2.223 9.934 10.716 1.00 73.10 H new ATOM 0 HD3 ARG A 62 -0.894 9.414 9.700 1.00 73.10 H new ATOM 0 HE ARG A 62 -2.612 11.157 8.188 1.00 15.45 H new ATOM 0 HH11 ARG A 62 -0.193 11.290 10.802 1.00 44.22 H new ATOM 0 HH12 ARG A 62 0.241 12.965 10.444 1.00 44.22 H new ATOM 0 HH21 ARG A 62 -2.035 13.268 7.764 1.00 5.10 H new ATOM 0 HH22 ARG A 62 -0.799 14.078 8.731 1.00 5.10 H new ATOM 1078 N LYS A 63 -1.932 4.205 9.876 1.00 71.22 N ATOM 1079 CA LYS A 63 -2.216 2.861 10.432 1.00 1.21 C ATOM 1080 C LYS A 63 -0.927 2.211 10.953 1.00 53.52 C ATOM 1081 O LYS A 63 -0.913 1.605 12.026 1.00 2.21 O ATOM 1082 CB LYS A 63 -2.871 1.918 9.364 1.00 50.34 C ATOM 1083 CG LYS A 63 -4.280 2.324 8.877 1.00 34.43 C ATOM 1084 CD LYS A 63 -5.334 2.349 10.000 1.00 35.33 C ATOM 1085 CE LYS A 63 -6.723 2.775 9.497 1.00 4.23 C ATOM 1086 NZ LYS A 63 -7.732 2.798 10.592 1.00 70.23 N ATOM 0 H LYS A 63 -1.906 4.230 8.857 1.00 71.22 H new ATOM 0 HA LYS A 63 -2.919 2.996 11.254 1.00 1.21 H new ATOM 0 HB2 LYS A 63 -2.210 1.867 8.499 1.00 50.34 H new ATOM 0 HB3 LYS A 63 -2.928 0.913 9.782 1.00 50.34 H new ATOM 0 HG2 LYS A 63 -4.227 3.311 8.417 1.00 34.43 H new ATOM 0 HG3 LYS A 63 -4.602 1.629 8.102 1.00 34.43 H new ATOM 0 HD2 LYS A 63 -5.403 1.359 10.451 1.00 35.33 H new ATOM 0 HD3 LYS A 63 -5.009 3.034 10.783 1.00 35.33 H new ATOM 0 HE2 LYS A 63 -6.657 3.765 9.045 1.00 4.23 H new ATOM 0 HE3 LYS A 63 -7.051 2.089 8.716 1.00 4.23 H new ATOM 0 HZ1 LYS A 63 -8.654 3.090 10.209 1.00 70.23 H new ATOM 0 HZ2 LYS A 63 -7.815 1.848 11.007 1.00 70.23 H new ATOM 0 HZ3 LYS A 63 -7.433 3.472 11.326 1.00 70.23 H new ATOM 1100 N VAL A 64 0.154 2.355 10.178 1.00 23.23 N ATOM 1101 CA VAL A 64 1.427 1.655 10.420 1.00 2.34 C ATOM 1102 C VAL A 64 2.607 2.663 10.387 1.00 0.23 C ATOM 1103 O VAL A 64 2.849 3.288 9.348 1.00 30.24 O ATOM 1104 CB VAL A 64 1.652 0.525 9.340 1.00 0.21 C ATOM 1105 CG1 VAL A 64 2.962 -0.243 9.593 1.00 75.12 C ATOM 1106 CG2 VAL A 64 0.453 -0.447 9.262 1.00 23.35 C ATOM 0 H VAL A 64 0.173 2.963 9.360 1.00 23.23 H new ATOM 0 HA VAL A 64 1.384 1.191 11.405 1.00 2.34 H new ATOM 0 HB VAL A 64 1.734 1.024 8.374 1.00 0.21 H new ATOM 0 HG11 VAL A 64 3.085 -1.013 8.831 1.00 75.12 H new ATOM 0 HG12 VAL A 64 3.803 0.449 9.549 1.00 75.12 H new ATOM 0 HG13 VAL A 64 2.926 -0.709 10.578 1.00 75.12 H new ATOM 0 HG21 VAL A 64 0.650 -1.208 8.507 1.00 23.35 H new ATOM 0 HG22 VAL A 64 0.309 -0.926 10.231 1.00 23.35 H new ATOM 0 HG23 VAL A 64 -0.447 0.106 8.993 1.00 23.35 H new ATOM 1116 N PRO A 65 3.352 2.841 11.530 1.00 21.24 N ATOM 1117 CA PRO A 65 4.523 3.758 11.603 1.00 31.34 C ATOM 1118 C PRO A 65 5.821 3.142 11.020 1.00 2.40 C ATOM 1119 O PRO A 65 6.803 3.857 10.792 1.00 35.44 O ATOM 1120 CB PRO A 65 4.644 4.008 13.120 1.00 22.52 C ATOM 1121 CG PRO A 65 4.187 2.729 13.752 1.00 2.40 C ATOM 1122 CD PRO A 65 3.094 2.191 12.852 1.00 33.02 C ATOM 0 HA PRO A 65 4.386 4.662 11.010 1.00 31.34 H new ATOM 0 HB2 PRO A 65 5.670 4.245 13.402 1.00 22.52 H new ATOM 0 HB3 PRO A 65 4.025 4.848 13.434 1.00 22.52 H new ATOM 0 HG2 PRO A 65 5.009 2.019 13.836 1.00 2.40 H new ATOM 0 HG3 PRO A 65 3.812 2.903 14.761 1.00 2.40 H new ATOM 0 HD2 PRO A 65 3.139 1.105 12.777 1.00 33.02 H new ATOM 0 HD3 PRO A 65 2.104 2.443 13.233 1.00 33.02 H new ATOM 1130 N ASN A 66 5.814 1.816 10.805 1.00 2.04 N ATOM 1131 CA ASN A 66 6.963 1.068 10.242 1.00 41.03 C ATOM 1132 C ASN A 66 6.740 0.729 8.756 1.00 34.50 C ATOM 1133 O ASN A 66 7.591 0.082 8.132 1.00 4.22 O ATOM 1134 CB ASN A 66 7.225 -0.222 11.064 1.00 1.14 C ATOM 1135 CG ASN A 66 6.034 -1.180 11.070 1.00 15.30 C ATOM 1136 OD1 ASN A 66 5.132 -0.992 12.024 1.00 21.13 O flip ATOM 1137 ND2 ASN A 66 5.923 -2.073 10.225 1.00 73.42 N flip ATOM 0 H ASN A 66 5.010 1.225 11.016 1.00 2.04 H new ATOM 0 HA ASN A 66 7.843 1.708 10.307 1.00 41.03 H new ATOM 0 HB2 ASN A 66 8.095 -0.736 10.655 1.00 1.14 H new ATOM 0 HB3 ASN A 66 7.469 0.051 12.091 1.00 1.14 H new ATOM 0 HD21 ASN A 66 6.638 -2.187 9.506 1.00 73.42 H new ATOM 0 HD22 ASN A 66 5.117 -2.697 10.246 1.00 73.42 H new ATOM 1144 N ALA A 67 5.592 1.162 8.199 1.00 54.45 N ATOM 1145 CA ALA A 67 5.308 1.027 6.768 1.00 10.33 C ATOM 1146 C ALA A 67 6.151 2.044 6.010 1.00 20.40 C ATOM 1147 O ALA A 67 5.768 3.217 5.905 1.00 5.23 O ATOM 1148 CB ALA A 67 3.814 1.235 6.467 1.00 62.43 C ATOM 0 H ALA A 67 4.845 1.611 8.729 1.00 54.45 H new ATOM 0 HA ALA A 67 5.561 0.016 6.448 1.00 10.33 H new ATOM 0 HB1 ALA A 67 3.640 1.128 5.396 1.00 62.43 H new ATOM 0 HB2 ALA A 67 3.227 0.491 7.006 1.00 62.43 H new ATOM 0 HB3 ALA A 67 3.514 2.234 6.785 1.00 62.43 H new ATOM 1154 N ARG A 68 7.340 1.613 5.564 1.00 53.34 N ATOM 1155 CA ARG A 68 8.202 2.444 4.733 1.00 73.44 C ATOM 1156 C ARG A 68 7.509 2.638 3.376 1.00 33.43 C ATOM 1157 O ARG A 68 7.496 1.733 2.538 1.00 12.24 O ATOM 1158 CB ARG A 68 9.603 1.793 4.574 1.00 51.35 C ATOM 1159 CG ARG A 68 10.588 2.601 3.693 1.00 3.30 C ATOM 1160 CD ARG A 68 10.892 3.995 4.270 1.00 4.44 C ATOM 1161 NE ARG A 68 11.693 4.810 3.340 1.00 25.32 N ATOM 1162 CZ ARG A 68 11.440 6.084 2.999 1.00 65.44 C ATOM 1163 NH1 ARG A 68 10.387 6.733 3.500 1.00 62.10 N ATOM 1164 NH2 ARG A 68 12.248 6.698 2.154 1.00 72.43 N ATOM 0 H ARG A 68 7.721 0.690 5.770 1.00 53.34 H new ATOM 0 HA ARG A 68 8.360 3.416 5.201 1.00 73.44 H new ATOM 0 HB2 ARG A 68 10.043 1.661 5.562 1.00 51.35 H new ATOM 0 HB3 ARG A 68 9.482 0.799 4.144 1.00 51.35 H new ATOM 0 HG2 ARG A 68 11.519 2.043 3.590 1.00 3.30 H new ATOM 0 HG3 ARG A 68 10.170 2.709 2.692 1.00 3.30 H new ATOM 0 HD2 ARG A 68 9.956 4.509 4.490 1.00 4.44 H new ATOM 0 HD3 ARG A 68 11.427 3.889 5.214 1.00 4.44 H new ATOM 0 HE ARG A 68 12.510 4.368 2.919 1.00 25.32 H new ATOM 0 HH11 ARG A 68 9.760 6.261 4.152 1.00 62.10 H new ATOM 0 HH12 ARG A 68 10.209 7.701 3.231 1.00 62.10 H new ATOM 0 HH21 ARG A 68 13.053 6.205 1.768 1.00 72.43 H new ATOM 0 HH22 ARG A 68 12.067 7.666 1.887 1.00 72.43 H new ATOM 1178 N VAL A 69 6.906 3.820 3.191 1.00 44.32 N ATOM 1179 CA VAL A 69 6.119 4.123 1.996 1.00 51.13 C ATOM 1180 C VAL A 69 7.038 4.750 0.947 1.00 44.02 C ATOM 1181 O VAL A 69 7.525 5.873 1.101 1.00 33.12 O ATOM 1182 CB VAL A 69 4.907 5.079 2.328 1.00 5.32 C ATOM 1183 CG1 VAL A 69 4.166 5.521 1.044 1.00 24.14 C ATOM 1184 CG2 VAL A 69 3.929 4.399 3.322 1.00 51.12 C ATOM 0 H VAL A 69 6.951 4.586 3.863 1.00 44.32 H new ATOM 0 HA VAL A 69 5.694 3.198 1.606 1.00 51.13 H new ATOM 0 HB VAL A 69 5.311 5.975 2.800 1.00 5.32 H new ATOM 0 HG11 VAL A 69 3.338 6.178 1.310 1.00 24.14 H new ATOM 0 HG12 VAL A 69 4.857 6.054 0.391 1.00 24.14 H new ATOM 0 HG13 VAL A 69 3.781 4.643 0.526 1.00 24.14 H new ATOM 0 HG21 VAL A 69 3.101 5.075 3.538 1.00 51.12 H new ATOM 0 HG22 VAL A 69 3.542 3.480 2.881 1.00 51.12 H new ATOM 0 HG23 VAL A 69 4.455 4.164 4.247 1.00 51.12 H new ATOM 1194 N ARG A 70 7.304 3.972 -0.093 1.00 75.12 N ATOM 1195 CA ARG A 70 8.028 4.422 -1.263 1.00 33.13 C ATOM 1196 C ARG A 70 6.996 4.999 -2.244 1.00 51.11 C ATOM 1197 O ARG A 70 6.263 4.250 -2.909 1.00 24.31 O ATOM 1198 CB ARG A 70 8.799 3.227 -1.880 1.00 3.13 C ATOM 1199 CG ARG A 70 9.675 3.564 -3.103 1.00 45.23 C ATOM 1200 CD ARG A 70 10.821 4.538 -2.777 1.00 30.10 C ATOM 1201 NE ARG A 70 11.587 4.904 -3.985 1.00 2.12 N ATOM 1202 CZ ARG A 70 11.610 6.117 -4.561 1.00 41.55 C ATOM 1203 NH1 ARG A 70 10.895 7.121 -4.057 1.00 53.24 N ATOM 1204 NH2 ARG A 70 12.328 6.302 -5.655 1.00 24.15 N ATOM 0 H ARG A 70 7.016 2.995 -0.144 1.00 75.12 H new ATOM 0 HA ARG A 70 8.761 5.190 -1.015 1.00 33.13 H new ATOM 0 HB2 ARG A 70 9.434 2.790 -1.109 1.00 3.13 H new ATOM 0 HB3 ARG A 70 8.078 2.463 -2.171 1.00 3.13 H new ATOM 0 HG2 ARG A 70 10.094 2.642 -3.507 1.00 45.23 H new ATOM 0 HG3 ARG A 70 9.048 3.998 -3.882 1.00 45.23 H new ATOM 0 HD2 ARG A 70 10.414 5.439 -2.318 1.00 30.10 H new ATOM 0 HD3 ARG A 70 11.489 4.082 -2.047 1.00 30.10 H new ATOM 0 HE ARG A 70 12.148 4.171 -4.420 1.00 2.12 H new ATOM 0 HH11 ARG A 70 10.323 6.973 -3.226 1.00 53.24 H new ATOM 0 HH12 ARG A 70 10.920 8.038 -4.502 1.00 53.24 H new ATOM 0 HH21 ARG A 70 12.858 5.527 -6.054 1.00 24.15 H new ATOM 0 HH22 ARG A 70 12.352 7.219 -6.100 1.00 24.15 H new ATOM 1218 N GLU A 71 6.916 6.337 -2.294 1.00 34.14 N ATOM 1219 CA GLU A 71 5.982 7.048 -3.168 1.00 14.11 C ATOM 1220 C GLU A 71 6.653 7.225 -4.533 1.00 0.52 C ATOM 1221 O GLU A 71 7.644 7.958 -4.658 1.00 51.33 O ATOM 1222 CB GLU A 71 5.609 8.415 -2.543 1.00 22.11 C ATOM 1223 CG GLU A 71 4.513 9.190 -3.303 1.00 45.33 C ATOM 1224 CD GLU A 71 4.315 10.619 -2.766 1.00 42.04 C ATOM 1225 OE1 GLU A 71 3.659 10.790 -1.711 1.00 74.11 O ATOM 1226 OE2 GLU A 71 4.856 11.574 -3.371 1.00 21.41 O ATOM 0 H GLU A 71 7.499 6.953 -1.728 1.00 34.14 H new ATOM 0 HA GLU A 71 5.059 6.482 -3.289 1.00 14.11 H new ATOM 0 HB2 GLU A 71 5.276 8.252 -1.518 1.00 22.11 H new ATOM 0 HB3 GLU A 71 6.505 9.034 -2.493 1.00 22.11 H new ATOM 0 HG2 GLU A 71 4.773 9.236 -4.360 1.00 45.33 H new ATOM 0 HG3 GLU A 71 3.572 8.645 -3.230 1.00 45.33 H new ATOM 1233 N THR A 72 6.136 6.510 -5.540 1.00 44.34 N ATOM 1234 CA THR A 72 6.700 6.498 -6.900 1.00 30.22 C ATOM 1235 C THR A 72 5.604 6.739 -7.940 1.00 20.35 C ATOM 1236 O THR A 72 4.456 6.347 -7.750 1.00 53.31 O ATOM 1237 CB THR A 72 7.421 5.137 -7.194 1.00 71.44 C ATOM 1238 OG1 THR A 72 6.541 4.034 -6.910 1.00 4.14 O ATOM 1239 CG2 THR A 72 8.714 4.986 -6.379 1.00 23.44 C ATOM 0 H THR A 72 5.311 5.920 -5.436 1.00 44.34 H new ATOM 0 HA THR A 72 7.433 7.302 -6.965 1.00 30.22 H new ATOM 0 HB THR A 72 7.686 5.133 -8.251 1.00 71.44 H new ATOM 0 HG1 THR A 72 5.663 4.377 -6.641 1.00 4.14 H new ATOM 0 HG21 THR A 72 9.182 4.030 -6.613 1.00 23.44 H new ATOM 0 HG22 THR A 72 9.399 5.796 -6.630 1.00 23.44 H new ATOM 0 HG23 THR A 72 8.480 5.025 -5.315 1.00 23.44 H new ATOM 1247 N GLU A 73 5.979 7.435 -9.017 1.00 73.23 N ATOM 1248 CA GLU A 73 5.158 7.564 -10.239 1.00 13.22 C ATOM 1249 C GLU A 73 5.793 6.762 -11.381 1.00 24.40 C ATOM 1250 O GLU A 73 6.964 6.372 -11.314 1.00 3.33 O ATOM 1251 CB GLU A 73 5.013 9.048 -10.657 1.00 44.45 C ATOM 1252 CG GLU A 73 4.230 9.929 -9.667 1.00 24.31 C ATOM 1253 CD GLU A 73 4.068 11.376 -10.156 1.00 70.31 C ATOM 1254 OE1 GLU A 73 3.152 11.647 -10.968 1.00 32.41 O ATOM 1255 OE2 GLU A 73 4.860 12.253 -9.739 1.00 42.11 O ATOM 0 H GLU A 73 6.868 7.932 -9.072 1.00 73.23 H new ATOM 0 HA GLU A 73 4.165 7.169 -10.026 1.00 13.22 H new ATOM 0 HB2 GLU A 73 6.009 9.472 -10.788 1.00 44.45 H new ATOM 0 HB3 GLU A 73 4.518 9.090 -11.627 1.00 44.45 H new ATOM 0 HG2 GLU A 73 3.244 9.494 -9.502 1.00 24.31 H new ATOM 0 HG3 GLU A 73 4.743 9.931 -8.705 1.00 24.31 H new ATOM 1262 N THR A 74 5.005 6.543 -12.439 1.00 45.42 N ATOM 1263 CA THR A 74 5.438 5.818 -13.643 1.00 0.52 C ATOM 1264 C THR A 74 4.819 6.514 -14.872 1.00 33.12 C ATOM 1265 O THR A 74 3.713 7.047 -14.780 1.00 43.22 O ATOM 1266 CB THR A 74 4.984 4.314 -13.583 1.00 4.00 C ATOM 1267 OG1 THR A 74 5.171 3.785 -12.256 1.00 43.24 O ATOM 1268 CG2 THR A 74 5.759 3.443 -14.584 1.00 32.11 C ATOM 0 H THR A 74 4.039 6.866 -12.486 1.00 45.42 H new ATOM 0 HA THR A 74 6.526 5.832 -13.709 1.00 0.52 H new ATOM 0 HB THR A 74 3.927 4.288 -13.848 1.00 4.00 H new ATOM 0 HG1 THR A 74 5.211 2.807 -12.296 1.00 43.24 H new ATOM 0 HG21 THR A 74 5.415 2.411 -14.511 1.00 32.11 H new ATOM 0 HG22 THR A 74 5.588 3.811 -15.595 1.00 32.11 H new ATOM 0 HG23 THR A 74 6.824 3.488 -14.357 1.00 32.11 H new ATOM 1276 N GLY A 75 5.537 6.524 -16.005 1.00 22.14 N ATOM 1277 CA GLY A 75 5.052 7.166 -17.230 1.00 54.12 C ATOM 1278 C GLY A 75 6.149 7.989 -17.885 1.00 3.14 C ATOM 1279 O GLY A 75 6.090 9.222 -17.886 1.00 2.20 O ATOM 0 H GLY A 75 6.457 6.093 -16.096 1.00 22.14 H new ATOM 0 HA2 GLY A 75 4.697 6.407 -17.927 1.00 54.12 H new ATOM 0 HA3 GLY A 75 4.202 7.807 -16.997 1.00 54.12 H new ATOM 1283 N SER A 76 7.167 7.292 -18.414 1.00 1.42 N ATOM 1284 CA SER A 76 8.332 7.909 -19.061 1.00 25.04 C ATOM 1285 C SER A 76 7.906 8.590 -20.378 1.00 13.21 C ATOM 1286 O SER A 76 7.791 7.934 -21.421 1.00 20.24 O ATOM 1287 CB SER A 76 9.421 6.832 -19.293 1.00 5.54 C ATOM 1288 OG SER A 76 10.641 7.398 -19.752 1.00 1.52 O ATOM 0 H SER A 76 7.203 6.273 -18.404 1.00 1.42 H new ATOM 0 HA SER A 76 8.752 8.681 -18.416 1.00 25.04 H new ATOM 0 HB2 SER A 76 9.599 6.291 -18.364 1.00 5.54 H new ATOM 0 HB3 SER A 76 9.062 6.105 -20.021 1.00 5.54 H new ATOM 0 HG SER A 76 10.544 8.371 -19.824 1.00 1.52 H new ATOM 1294 N LEU A 77 7.618 9.903 -20.288 1.00 1.31 N ATOM 1295 CA LEU A 77 7.164 10.727 -21.419 1.00 1.21 C ATOM 1296 C LEU A 77 8.159 11.880 -21.641 1.00 32.03 C ATOM 1297 O LEU A 77 8.132 12.883 -20.927 1.00 32.55 O ATOM 1298 CB LEU A 77 5.731 11.276 -21.147 1.00 14.13 C ATOM 1299 CG LEU A 77 4.608 10.211 -20.911 1.00 0.51 C ATOM 1300 CD1 LEU A 77 3.258 10.882 -20.553 1.00 22.23 C ATOM 1301 CD2 LEU A 77 4.460 9.262 -22.125 1.00 44.35 C ATOM 0 H LEU A 77 7.696 10.425 -19.415 1.00 1.31 H new ATOM 0 HA LEU A 77 7.124 10.116 -22.321 1.00 1.21 H new ATOM 0 HB2 LEU A 77 5.775 11.925 -20.273 1.00 14.13 H new ATOM 0 HB3 LEU A 77 5.438 11.899 -21.992 1.00 14.13 H new ATOM 0 HG LEU A 77 4.911 9.604 -20.057 1.00 0.51 H new ATOM 0 HD11 LEU A 77 2.500 10.114 -20.396 1.00 22.23 H new ATOM 0 HD12 LEU A 77 3.374 11.469 -19.642 1.00 22.23 H new ATOM 0 HD13 LEU A 77 2.949 11.535 -21.369 1.00 22.23 H new ATOM 0 HD21 LEU A 77 3.672 8.536 -21.925 1.00 44.35 H new ATOM 0 HD22 LEU A 77 4.203 9.842 -23.011 1.00 44.35 H new ATOM 0 HD23 LEU A 77 5.401 8.738 -22.294 1.00 44.35 H new ATOM 1313 N GLU A 78 9.079 11.678 -22.592 1.00 42.25 N ATOM 1314 CA GLU A 78 10.057 12.697 -23.017 1.00 71.24 C ATOM 1315 C GLU A 78 9.556 13.379 -24.297 1.00 24.54 C ATOM 1316 O GLU A 78 8.982 12.715 -25.164 1.00 32.15 O ATOM 1317 CB GLU A 78 11.458 12.064 -23.287 1.00 3.44 C ATOM 1318 CG GLU A 78 12.187 11.482 -22.052 1.00 25.20 C ATOM 1319 CD GLU A 78 11.489 10.261 -21.431 1.00 43.33 C ATOM 1320 OE1 GLU A 78 11.515 9.172 -22.051 1.00 33.52 O ATOM 1321 OE2 GLU A 78 10.889 10.383 -20.339 1.00 52.14 O ATOM 0 H GLU A 78 9.170 10.795 -23.095 1.00 42.25 H new ATOM 0 HA GLU A 78 10.160 13.426 -22.213 1.00 71.24 H new ATOM 0 HB2 GLU A 78 11.340 11.269 -24.023 1.00 3.44 H new ATOM 0 HB3 GLU A 78 12.097 12.823 -23.738 1.00 3.44 H new ATOM 0 HG2 GLU A 78 13.200 11.201 -22.340 1.00 25.20 H new ATOM 0 HG3 GLU A 78 12.276 12.261 -21.295 1.00 25.20 H new ATOM 1328 N HIS A 79 9.763 14.702 -24.402 1.00 54.20 N ATOM 1329 CA HIS A 79 9.477 15.440 -25.644 1.00 45.23 C ATOM 1330 C HIS A 79 10.576 15.115 -26.678 1.00 20.12 C ATOM 1331 O HIS A 79 11.764 15.168 -26.359 1.00 54.45 O ATOM 1332 CB HIS A 79 9.372 16.974 -25.392 1.00 53.43 C ATOM 1333 CG HIS A 79 10.661 17.660 -25.007 1.00 44.51 C ATOM 1334 ND1 HIS A 79 11.562 18.145 -25.937 1.00 14.41 N ATOM 1335 CD2 HIS A 79 11.213 17.902 -23.798 1.00 53.31 C ATOM 1336 CE1 HIS A 79 12.608 18.638 -25.310 1.00 63.24 C ATOM 1337 NE2 HIS A 79 12.423 18.506 -24.014 1.00 43.11 N ATOM 0 H HIS A 79 10.126 15.281 -23.645 1.00 54.20 H new ATOM 0 HA HIS A 79 8.508 15.125 -26.031 1.00 45.23 H new ATOM 0 HB2 HIS A 79 8.985 17.447 -26.294 1.00 53.43 H new ATOM 0 HB3 HIS A 79 8.640 17.146 -24.603 1.00 53.43 H new ATOM 0 HD2 HIS A 79 10.780 17.663 -22.838 1.00 53.31 H new ATOM 0 HE1 HIS A 79 13.475 19.078 -25.781 1.00 63.24 H new ATOM 0 HE2 HIS A 79 13.075 18.805 -23.288 1.00 43.11 H new ATOM 1346 N HIS A 80 10.175 14.752 -27.897 1.00 14.22 N ATOM 1347 CA HIS A 80 11.109 14.385 -28.969 1.00 2.22 C ATOM 1348 C HIS A 80 10.517 14.783 -30.325 1.00 71.44 C ATOM 1349 O HIS A 80 9.393 14.394 -30.662 1.00 11.00 O ATOM 1350 CB HIS A 80 11.460 12.867 -28.922 1.00 32.20 C ATOM 1351 CG HIS A 80 10.293 11.923 -29.072 1.00 52.32 C ATOM 1352 ND1 HIS A 80 9.950 11.337 -30.271 1.00 10.41 N ATOM 1353 CD2 HIS A 80 9.402 11.460 -28.165 1.00 61.23 C ATOM 1354 CE1 HIS A 80 8.907 10.560 -30.096 1.00 73.23 C ATOM 1355 NE2 HIS A 80 8.552 10.614 -28.832 1.00 43.33 N ATOM 0 H HIS A 80 9.194 14.703 -28.172 1.00 14.22 H new ATOM 0 HA HIS A 80 12.042 14.928 -28.823 1.00 2.22 H new ATOM 0 HB2 HIS A 80 12.180 12.654 -29.712 1.00 32.20 H new ATOM 0 HB3 HIS A 80 11.955 12.656 -27.974 1.00 32.20 H new ATOM 0 HD2 HIS A 80 9.367 11.709 -27.115 1.00 61.23 H new ATOM 0 HE1 HIS A 80 8.422 9.974 -30.863 1.00 73.23 H new ATOM 0 HE2 HIS A 80 7.771 10.109 -28.414 1.00 43.33 H new ATOM 1364 N HIS A 81 11.269 15.595 -31.073 1.00 11.41 N ATOM 1365 CA HIS A 81 10.896 16.038 -32.425 1.00 33.21 C ATOM 1366 C HIS A 81 12.177 16.447 -33.160 1.00 22.13 C ATOM 1367 O HIS A 81 13.143 16.867 -32.529 1.00 43.31 O ATOM 1368 CB HIS A 81 9.883 17.220 -32.364 1.00 2.02 C ATOM 1369 CG HIS A 81 9.255 17.581 -33.696 1.00 2.14 C ATOM 1370 ND1 HIS A 81 9.792 18.504 -34.574 1.00 3.22 N ATOM 1371 CD2 HIS A 81 8.129 17.120 -34.298 1.00 24.25 C ATOM 1372 CE1 HIS A 81 9.029 18.589 -35.646 1.00 43.52 C ATOM 1373 NE2 HIS A 81 8.017 17.764 -35.508 1.00 24.50 N ATOM 0 H HIS A 81 12.164 15.969 -30.756 1.00 11.41 H new ATOM 0 HA HIS A 81 10.404 15.227 -32.961 1.00 33.21 H new ATOM 0 HB2 HIS A 81 9.090 16.966 -31.660 1.00 2.02 H new ATOM 0 HB3 HIS A 81 10.393 18.098 -31.967 1.00 2.02 H new ATOM 0 HD2 HIS A 81 7.447 16.383 -33.900 1.00 24.25 H new ATOM 0 HE1 HIS A 81 9.207 19.231 -36.496 1.00 43.52 H new ATOM 0 HE2 HIS A 81 7.269 17.624 -36.188 1.00 24.50 H new ATOM 1382 N HIS A 82 12.178 16.306 -34.487 1.00 61.53 N ATOM 1383 CA HIS A 82 13.320 16.681 -35.342 1.00 34.44 C ATOM 1384 C HIS A 82 12.810 17.096 -36.729 1.00 15.14 C ATOM 1385 O HIS A 82 11.608 17.036 -36.996 1.00 11.35 O ATOM 1386 CB HIS A 82 14.341 15.510 -35.449 1.00 52.34 C ATOM 1387 CG HIS A 82 13.793 14.244 -36.066 1.00 61.54 C ATOM 1388 ND1 HIS A 82 13.896 13.956 -37.410 1.00 21.30 N ATOM 1389 CD2 HIS A 82 13.135 13.197 -35.517 1.00 15.02 C ATOM 1390 CE1 HIS A 82 13.331 12.797 -37.654 1.00 51.35 C ATOM 1391 NE2 HIS A 82 12.862 12.314 -36.530 1.00 70.03 N ATOM 0 H HIS A 82 11.386 15.927 -35.007 1.00 61.53 H new ATOM 0 HA HIS A 82 13.838 17.527 -34.891 1.00 34.44 H new ATOM 0 HB2 HIS A 82 15.195 15.844 -36.038 1.00 52.34 H new ATOM 0 HB3 HIS A 82 14.713 15.279 -34.451 1.00 52.34 H new ATOM 0 HD2 HIS A 82 12.874 13.079 -34.476 1.00 15.02 H new ATOM 0 HE1 HIS A 82 13.264 12.320 -38.621 1.00 51.35 H new ATOM 0 HE2 HIS A 82 12.373 11.425 -36.425 1.00 70.03 H new ATOM 1400 N HIS A 83 13.735 17.509 -37.603 1.00 11.33 N ATOM 1401 CA HIS A 83 13.430 17.903 -38.989 1.00 21.01 C ATOM 1402 C HIS A 83 14.712 17.855 -39.834 1.00 50.42 C ATOM 1403 O HIS A 83 15.823 17.830 -39.289 1.00 34.32 O ATOM 1404 CB HIS A 83 12.806 19.331 -39.053 1.00 33.21 C ATOM 1405 CG HIS A 83 13.751 20.447 -38.668 1.00 20.24 C ATOM 1406 ND1 HIS A 83 14.383 21.252 -39.595 1.00 1.41 N ATOM 1407 CD2 HIS A 83 14.170 20.881 -37.455 1.00 4.11 C ATOM 1408 CE1 HIS A 83 15.149 22.123 -38.970 1.00 32.11 C ATOM 1409 NE2 HIS A 83 15.035 21.920 -37.675 1.00 1.41 N ATOM 0 H HIS A 83 14.725 17.581 -37.369 1.00 11.33 H new ATOM 0 HA HIS A 83 12.699 17.200 -39.388 1.00 21.01 H new ATOM 0 HB2 HIS A 83 12.445 19.511 -40.066 1.00 33.21 H new ATOM 0 HB3 HIS A 83 11.938 19.364 -38.395 1.00 33.21 H new ATOM 0 HD1 HIS A 83 14.274 21.183 -40.607 1.00 1.41 H new ATOM 0 HD2 HIS A 83 13.877 20.483 -36.495 1.00 4.11 H new ATOM 0 HE1 HIS A 83 15.765 22.875 -39.440 1.00 32.11 H new ATOM 1418 N HIS A 84 14.545 17.832 -41.164 1.00 45.24 N ATOM 1419 CA HIS A 84 15.654 18.056 -42.109 1.00 74.44 C ATOM 1420 C HIS A 84 16.088 19.547 -42.017 1.00 73.11 C ATOM 1421 O HIS A 84 17.196 19.836 -41.530 1.00 12.01 O ATOM 1422 CB HIS A 84 15.221 17.681 -43.554 1.00 32.54 C ATOM 1423 CG HIS A 84 16.265 17.962 -44.616 1.00 15.55 C ATOM 1424 ND1 HIS A 84 16.463 19.215 -45.159 1.00 51.13 N ATOM 1425 CD2 HIS A 84 17.168 17.153 -45.223 1.00 2.34 C ATOM 1426 CE1 HIS A 84 17.432 19.164 -46.042 1.00 63.34 C ATOM 1427 NE2 HIS A 84 17.879 17.928 -46.103 1.00 14.12 N ATOM 1428 OXT HIS A 84 15.275 20.424 -42.383 1.00 37.07 O ATOM 0 H HIS A 84 13.646 17.659 -41.614 1.00 45.24 H new ATOM 0 HA HIS A 84 16.500 17.420 -41.851 1.00 74.44 H new ATOM 0 HB2 HIS A 84 14.970 16.621 -43.581 1.00 32.54 H new ATOM 0 HB3 HIS A 84 14.312 18.230 -43.801 1.00 32.54 H new ATOM 0 HD2 HIS A 84 17.302 16.096 -45.046 1.00 2.34 H new ATOM 0 HE1 HIS A 84 17.801 19.997 -46.622 1.00 63.34 H new ATOM 0 HE2 HIS A 84 18.632 17.599 -46.707 1.00 14.12 H new TER 1437 HIS A 84