USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 929 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 Single : A 26 THR OG1 : rot -31:sc= 0.288 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.88! C(o=-3.9!,f=-6.9!) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc=-0.00715 (180deg=-0.104) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0748 (180deg=-0.397) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 67 TYR OH : rot 118:sc= 0.583 USER MOD Single : A 75 THR OG1 : rot -110:sc= -0.501 USER MOD Single : A 80 CYS SG : rot 49:sc= 0.00977 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot 11:sc= -0.239! USER MOD Single : B 35 SER OG : rot 180:sc= -0.353 USER MOD Single : B 38 LYS NZ :NH3+ -141:sc= 0.63 (180deg=-0.00708) USER MOD Single : B 40 THR OG1 : rot -88:sc= 1.01 USER MOD Single : B 41 LYS NZ :NH3+ -168:sc= -0.0156 (180deg=-0.192) USER MOD Single : B 43 LYS NZ :NH3+ -167:sc= -2.23! (180deg=-2.73!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot 150:sc= 0.146 USER MOD Single : B 60 MET CE :methyl 171:sc= -0.871 (180deg=-1.22) USER MOD Single : B 63 LYS NZ :NH3+ -165:sc= -0.0235 (180deg=-0.27) USER MOD Single : B 66 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.9!) USER MOD Single : B 68 ASN : amide:sc= -0.109 K(o=-0.11,f=-7.8!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -20.389 -1.099 -9.320 1.00 0.00 N ATOM 2 CA THR A 26 -19.526 -0.190 -8.536 1.00 0.00 C ATOM 3 C THR A 26 -18.315 -0.930 -7.977 1.00 0.00 C ATOM 4 O THR A 26 -17.173 -0.523 -8.194 1.00 0.00 O ATOM 5 CB THR A 26 -20.309 0.449 -7.374 1.00 0.00 C ATOM 6 OG1 THR A 26 -21.106 -0.547 -6.723 1.00 0.00 O ATOM 7 CG2 THR A 26 -21.199 1.580 -7.866 1.00 0.00 C ATOM 0 HA THR A 26 -19.185 0.594 -9.212 1.00 0.00 H new ATOM 0 HB THR A 26 -19.591 0.865 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 26 -21.377 -1.227 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 26 -21.739 2.011 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.585 2.349 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 26 -21.912 1.192 -8.593 1.00 0.00 H new ATOM 15 N GLY A 27 -18.565 -2.018 -7.262 1.00 0.00 N ATOM 16 CA GLY A 27 -17.488 -2.797 -6.694 1.00 0.00 C ATOM 17 C GLY A 27 -17.993 -4.073 -6.060 1.00 0.00 C ATOM 18 O GLY A 27 -18.922 -4.043 -5.251 1.00 0.00 O ATOM 0 H GLY A 27 -19.500 -2.375 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.765 -3.039 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -16.964 -2.202 -5.946 1.00 0.00 H new ATOM 22 N SER A 28 -17.402 -5.194 -6.436 1.00 0.00 N ATOM 23 CA SER A 28 -17.804 -6.481 -5.898 1.00 0.00 C ATOM 24 C SER A 28 -16.812 -6.959 -4.846 1.00 0.00 C ATOM 25 O SER A 28 -15.833 -6.274 -4.540 1.00 0.00 O ATOM 26 CB SER A 28 -17.916 -7.509 -7.020 1.00 0.00 C ATOM 27 OG SER A 28 -16.736 -7.539 -7.807 1.00 0.00 O ATOM 0 H SER A 28 -16.641 -5.238 -7.113 1.00 0.00 H new ATOM 0 HA SER A 28 -18.779 -6.366 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.099 -8.496 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.772 -7.270 -7.652 1.00 0.00 H new ATOM 0 HG SER A 28 -16.833 -8.207 -8.517 1.00 0.00 H new ATOM 33 N LEU A 29 -17.077 -8.131 -4.295 1.00 0.00 N ATOM 34 CA LEU A 29 -16.236 -8.702 -3.261 1.00 0.00 C ATOM 35 C LEU A 29 -15.421 -9.859 -3.814 1.00 0.00 C ATOM 36 O LEU A 29 -15.978 -10.872 -4.240 1.00 0.00 O ATOM 37 CB LEU A 29 -17.098 -9.195 -2.104 1.00 0.00 C ATOM 38 CG LEU A 29 -18.037 -8.150 -1.502 1.00 0.00 C ATOM 39 CD1 LEU A 29 -18.813 -8.746 -0.341 1.00 0.00 C ATOM 40 CD2 LEU A 29 -17.261 -6.925 -1.047 1.00 0.00 C ATOM 0 H LEU A 29 -17.877 -8.710 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.555 -7.929 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.694 -10.040 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.443 -9.568 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 29 -18.743 -7.839 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.478 -7.991 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.402 -9.593 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.117 -9.083 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -17.950 -6.195 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.530 -7.217 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -16.745 -6.484 -1.900 1.00 0.00 H new ATOM 52 N SER A 30 -14.111 -9.702 -3.813 1.00 0.00 N ATOM 53 CA SER A 30 -13.221 -10.753 -4.270 1.00 0.00 C ATOM 54 C SER A 30 -12.915 -11.722 -3.128 1.00 0.00 C ATOM 55 O SER A 30 -13.566 -11.679 -2.077 1.00 0.00 O ATOM 56 CB SER A 30 -11.932 -10.137 -4.807 1.00 0.00 C ATOM 57 OG SER A 30 -12.210 -9.056 -5.681 1.00 0.00 O ATOM 0 H SER A 30 -13.638 -8.854 -3.500 1.00 0.00 H new ATOM 0 HA SER A 30 -13.707 -11.310 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.318 -9.789 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.354 -10.896 -5.334 1.00 0.00 H new ATOM 0 HG SER A 30 -11.368 -8.677 -6.010 1.00 0.00 H new ATOM 63 N VAL A 31 -11.938 -12.596 -3.332 1.00 0.00 N ATOM 64 CA VAL A 31 -11.536 -13.548 -2.303 1.00 0.00 C ATOM 65 C VAL A 31 -10.877 -12.813 -1.128 1.00 0.00 C ATOM 66 O VAL A 31 -10.282 -11.751 -1.310 1.00 0.00 O ATOM 67 CB VAL A 31 -10.581 -14.615 -2.891 1.00 0.00 C ATOM 68 CG1 VAL A 31 -9.251 -13.999 -3.298 1.00 0.00 C ATOM 69 CG2 VAL A 31 -10.372 -15.761 -1.914 1.00 0.00 C ATOM 0 H VAL A 31 -11.409 -12.666 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.425 -14.059 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.050 -15.020 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.602 -14.773 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.421 -13.232 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.776 -13.550 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.697 -16.495 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.939 -15.377 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.330 -16.233 -1.697 1.00 0.00 H new ATOM 79 N ASP A 32 -11.002 -13.360 0.075 1.00 0.00 N ATOM 80 CA ASP A 32 -10.511 -12.680 1.272 1.00 0.00 C ATOM 81 C ASP A 32 -9.516 -13.544 2.040 1.00 0.00 C ATOM 82 O ASP A 32 -9.597 -13.673 3.260 1.00 0.00 O ATOM 83 CB ASP A 32 -11.681 -12.278 2.184 1.00 0.00 C ATOM 84 CG ASP A 32 -12.507 -13.454 2.673 1.00 0.00 C ATOM 85 OD1 ASP A 32 -13.387 -13.918 1.918 1.00 0.00 O1- ATOM 86 OD2 ASP A 32 -12.301 -13.904 3.820 1.00 0.00 O ATOM 0 H ASP A 32 -11.436 -14.266 0.250 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.991 -11.779 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.289 -11.738 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.330 -11.589 1.644 1.00 0.00 H new ATOM 91 N ASN A 33 -8.551 -14.112 1.331 1.00 0.00 N ATOM 92 CA ASN A 33 -7.555 -14.957 1.966 1.00 0.00 C ATOM 93 C ASN A 33 -6.534 -14.117 2.728 1.00 0.00 C ATOM 94 O ASN A 33 -6.053 -14.517 3.787 1.00 0.00 O ATOM 95 CB ASN A 33 -6.870 -15.849 0.937 1.00 0.00 C ATOM 96 CG ASN A 33 -6.459 -15.091 -0.297 1.00 0.00 C ATOM 97 OD1 ASN A 33 -7.153 -15.087 -1.307 1.00 0.00 O ATOM 98 ND2 ASN A 33 -5.352 -14.411 -0.195 1.00 0.00 N ATOM 0 H ASN A 33 -8.438 -14.003 0.323 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.063 -15.599 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.990 -16.309 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.544 -16.658 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.029 -13.843 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.809 -14.447 0.668 1.00 0.00 H new ATOM 105 N LYS A 34 -6.212 -12.952 2.190 1.00 0.00 N ATOM 106 CA LYS A 34 -5.352 -11.998 2.887 1.00 0.00 C ATOM 107 C LYS A 34 -6.202 -10.929 3.564 1.00 0.00 C ATOM 108 O LYS A 34 -7.396 -10.808 3.284 1.00 0.00 O ATOM 109 CB LYS A 34 -4.370 -11.326 1.924 1.00 0.00 C ATOM 110 CG LYS A 34 -3.494 -12.290 1.141 1.00 0.00 C ATOM 111 CD LYS A 34 -2.583 -13.100 2.050 1.00 0.00 C ATOM 112 CE LYS A 34 -1.856 -14.190 1.277 1.00 0.00 C ATOM 113 NZ LYS A 34 -1.042 -13.642 0.161 1.00 0.00 N1+ ATOM 0 H LYS A 34 -6.531 -12.640 1.273 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.782 -12.549 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.933 -10.713 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.729 -10.652 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.125 -12.966 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.889 -11.731 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.856 -12.439 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.171 -13.549 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.210 -14.745 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.584 -14.898 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.449 -14.397 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.672 -13.268 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.435 -12.877 0.518 1.00 0.00 H new ATOM 127 N LYS A 35 -5.588 -10.149 4.443 1.00 0.00 N ATOM 128 CA LYS A 35 -6.297 -9.085 5.140 1.00 0.00 C ATOM 129 C LYS A 35 -5.675 -7.727 4.828 1.00 0.00 C ATOM 130 O LYS A 35 -4.476 -7.513 5.025 1.00 0.00 O ATOM 131 CB LYS A 35 -6.315 -9.336 6.656 1.00 0.00 C ATOM 132 CG LYS A 35 -4.947 -9.267 7.317 1.00 0.00 C ATOM 133 CD LYS A 35 -5.024 -9.551 8.809 1.00 0.00 C ATOM 134 CE LYS A 35 -5.398 -10.998 9.086 1.00 0.00 C ATOM 135 NZ LYS A 35 -4.421 -11.948 8.491 1.00 0.00 N1+ ATOM 0 H LYS A 35 -4.602 -10.233 4.690 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.328 -9.080 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.970 -8.603 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.748 -10.318 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.279 -9.987 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.516 -8.279 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.063 -9.328 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.760 -8.890 9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.451 -11.159 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.391 -11.199 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.536 -12.884 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.588 -12.022 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.454 -11.603 8.660 1.00 0.00 H new ATOM 149 N PHE A 36 -6.488 -6.822 4.310 1.00 0.00 N ATOM 150 CA PHE A 36 -6.035 -5.477 3.984 1.00 0.00 C ATOM 151 C PHE A 36 -7.069 -4.465 4.447 1.00 0.00 C ATOM 152 O PHE A 36 -8.252 -4.621 4.162 1.00 0.00 O ATOM 153 CB PHE A 36 -5.822 -5.335 2.478 1.00 0.00 C ATOM 154 CG PHE A 36 -4.911 -6.373 1.888 1.00 0.00 C ATOM 155 CD1 PHE A 36 -3.573 -6.407 2.227 1.00 0.00 C ATOM 156 CD2 PHE A 36 -5.396 -7.313 0.995 1.00 0.00 C ATOM 157 CE1 PHE A 36 -2.731 -7.358 1.689 1.00 0.00 C ATOM 158 CE2 PHE A 36 -4.558 -8.266 0.449 1.00 0.00 C ATOM 159 CZ PHE A 36 -3.223 -8.287 0.798 1.00 0.00 C ATOM 0 H PHE A 36 -7.472 -6.994 4.104 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.088 -5.294 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.789 -5.389 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.411 -4.347 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.181 -5.680 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.441 -7.301 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.687 -7.374 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.947 -8.993 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.565 -9.031 0.373 1.00 0.00 H new ATOM 169 N TRP A 37 -6.634 -3.438 5.158 1.00 0.00 N ATOM 170 CA TRP A 37 -7.559 -2.445 5.687 1.00 0.00 C ATOM 171 C TRP A 37 -7.378 -1.102 4.986 1.00 0.00 C ATOM 172 O TRP A 37 -6.372 -0.421 5.183 1.00 0.00 O ATOM 173 CB TRP A 37 -7.355 -2.286 7.194 1.00 0.00 C ATOM 174 CG TRP A 37 -7.355 -3.594 7.928 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.296 -4.174 8.562 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.460 -4.491 8.086 1.00 0.00 C ATOM 177 NE1 TRP A 37 -6.675 -5.374 9.112 1.00 0.00 N ATOM 178 CE2 TRP A 37 -7.999 -5.592 8.833 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.796 -4.470 7.674 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -8.825 -6.660 9.173 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.613 -5.531 8.013 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.126 -6.611 8.755 1.00 0.00 C ATOM 0 H TRP A 37 -5.653 -3.269 5.382 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.575 -2.792 5.500 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.410 -1.775 7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -8.144 -1.650 7.596 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.304 -3.751 8.623 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.070 -6.001 9.642 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -10.182 -3.640 7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -8.452 -7.496 9.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.646 -5.526 7.699 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.792 -7.424 9.003 1.00 0.00 H new ATOM 193 N ALA A 38 -8.349 -0.739 4.158 1.00 0.00 N ATOM 194 CA ALA A 38 -8.326 0.535 3.451 1.00 0.00 C ATOM 195 C ALA A 38 -9.021 1.610 4.269 1.00 0.00 C ATOM 196 O ALA A 38 -10.243 1.610 4.409 1.00 0.00 O ATOM 197 CB ALA A 38 -8.992 0.404 2.089 1.00 0.00 C ATOM 0 H ALA A 38 -9.168 -1.314 3.959 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.285 0.824 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.965 1.366 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.461 -0.339 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.028 0.091 2.219 1.00 0.00 H new ATOM 203 N THR A 39 -8.236 2.509 4.823 1.00 0.00 N ATOM 204 CA THR A 39 -8.765 3.630 5.567 1.00 0.00 C ATOM 205 C THR A 39 -9.307 4.677 4.600 1.00 0.00 C ATOM 206 O THR A 39 -8.552 5.488 4.067 1.00 0.00 O ATOM 207 CB THR A 39 -7.670 4.260 6.442 1.00 0.00 C ATOM 208 OG1 THR A 39 -6.954 3.226 7.130 1.00 0.00 O ATOM 209 CG2 THR A 39 -8.263 5.229 7.452 1.00 0.00 C ATOM 0 H THR A 39 -7.218 2.483 4.770 1.00 0.00 H new ATOM 0 HA THR A 39 -9.569 3.273 6.211 1.00 0.00 H new ATOM 0 HB THR A 39 -6.991 4.816 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.254 3.627 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.464 5.659 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.789 6.026 6.926 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.962 4.698 8.099 1.00 0.00 H new ATOM 217 N VAL A 40 -10.605 4.637 4.353 1.00 0.00 N ATOM 218 CA VAL A 40 -11.226 5.546 3.404 1.00 0.00 C ATOM 219 C VAL A 40 -11.973 6.652 4.135 1.00 0.00 C ATOM 220 O VAL A 40 -12.413 6.473 5.271 1.00 0.00 O ATOM 221 CB VAL A 40 -12.206 4.812 2.462 1.00 0.00 C ATOM 222 CG1 VAL A 40 -11.512 3.695 1.703 1.00 0.00 C ATOM 223 CG2 VAL A 40 -13.385 4.258 3.235 1.00 0.00 C ATOM 0 H VAL A 40 -11.251 3.984 4.797 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.424 5.975 2.803 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.571 5.542 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.229 3.199 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.702 4.111 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.106 2.972 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.061 3.746 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.029 3.554 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.915 5.075 3.725 1.00 0.00 H new ATOM 233 N GLU A 41 -12.117 7.790 3.484 1.00 0.00 N ATOM 234 CA GLU A 41 -12.835 8.906 4.062 1.00 0.00 C ATOM 235 C GLU A 41 -14.116 9.154 3.286 1.00 0.00 C ATOM 236 O GLU A 41 -14.086 9.577 2.129 1.00 0.00 O ATOM 237 CB GLU A 41 -11.960 10.158 4.063 1.00 0.00 C ATOM 238 CG GLU A 41 -12.608 11.360 4.727 1.00 0.00 C ATOM 239 CD GLU A 41 -11.671 12.544 4.806 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.551 13.285 3.806 1.00 0.00 O1- ATOM 241 OE2 GLU A 41 -11.033 12.732 5.861 1.00 0.00 O ATOM 0 H GLU A 41 -11.744 7.965 2.551 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.090 8.666 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.023 9.934 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.709 10.415 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.501 11.643 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.931 11.087 5.732 1.00 0.00 H new ATOM 248 N SER A 42 -15.239 8.863 3.914 1.00 0.00 N ATOM 249 CA SER A 42 -16.520 9.082 3.284 1.00 0.00 C ATOM 250 C SER A 42 -17.056 10.458 3.674 1.00 0.00 C ATOM 251 O SER A 42 -16.399 11.188 4.421 1.00 0.00 O ATOM 252 CB SER A 42 -17.497 7.969 3.675 1.00 0.00 C ATOM 253 OG SER A 42 -18.687 8.026 2.903 1.00 0.00 O ATOM 0 H SER A 42 -15.287 8.476 4.856 1.00 0.00 H new ATOM 0 HA SER A 42 -16.404 9.056 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.019 6.999 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.744 8.055 4.733 1.00 0.00 H new ATOM 0 HG SER A 42 -19.289 7.302 3.175 1.00 0.00 H new ATOM 259 N SER A 43 -18.230 10.812 3.177 1.00 0.00 N ATOM 260 CA SER A 43 -18.781 12.144 3.391 1.00 0.00 C ATOM 261 C SER A 43 -19.038 12.419 4.873 1.00 0.00 C ATOM 262 O SER A 43 -18.736 13.503 5.375 1.00 0.00 O ATOM 263 CB SER A 43 -20.075 12.293 2.596 1.00 0.00 C ATOM 264 OG SER A 43 -19.876 11.946 1.233 1.00 0.00 O ATOM 0 H SER A 43 -18.822 10.195 2.621 1.00 0.00 H new ATOM 0 HA SER A 43 -18.049 12.874 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.847 11.657 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.433 13.320 2.665 1.00 0.00 H new ATOM 0 HG SER A 43 -20.719 12.047 0.743 1.00 0.00 H new ATOM 270 N GLU A 44 -19.574 11.428 5.571 1.00 0.00 N ATOM 271 CA GLU A 44 -19.967 11.602 6.960 1.00 0.00 C ATOM 272 C GLU A 44 -18.840 11.208 7.912 1.00 0.00 C ATOM 273 O GLU A 44 -18.527 11.937 8.853 1.00 0.00 O ATOM 274 CB GLU A 44 -21.215 10.764 7.250 1.00 0.00 C ATOM 275 CG GLU A 44 -21.803 10.984 8.632 1.00 0.00 C ATOM 276 CD GLU A 44 -23.007 10.106 8.888 1.00 0.00 C ATOM 277 OE1 GLU A 44 -24.110 10.447 8.408 1.00 0.00 O1- ATOM 278 OE2 GLU A 44 -22.854 9.063 9.555 1.00 0.00 O ATOM 0 H GLU A 44 -19.746 10.495 5.197 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.187 12.657 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.975 10.993 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.965 9.709 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.041 10.782 9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -22.089 12.030 8.741 1.00 0.00 H new ATOM 285 N HIS A 45 -18.225 10.060 7.656 1.00 0.00 N ATOM 286 CA HIS A 45 -17.227 9.511 8.567 1.00 0.00 C ATOM 287 C HIS A 45 -16.186 8.693 7.800 1.00 0.00 C ATOM 288 O HIS A 45 -16.516 8.015 6.827 1.00 0.00 O ATOM 289 CB HIS A 45 -17.936 8.639 9.613 1.00 0.00 C ATOM 290 CG HIS A 45 -17.034 8.044 10.650 1.00 0.00 C ATOM 291 ND1 HIS A 45 -16.772 6.694 10.730 1.00 0.00 N ATOM 292 CD2 HIS A 45 -16.343 8.619 11.662 1.00 0.00 C ATOM 293 CE1 HIS A 45 -15.960 6.465 11.745 1.00 0.00 C ATOM 294 NE2 HIS A 45 -15.683 7.617 12.326 1.00 0.00 N ATOM 0 H HIS A 45 -18.399 9.492 6.827 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.704 10.327 9.066 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -18.694 9.241 10.114 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.458 7.832 9.099 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -16.316 9.672 11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -15.586 5.499 12.049 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -15.077 7.742 13.137 1.00 0.00 H new ATOM 303 N SER A 46 -14.930 8.782 8.226 1.00 0.00 N ATOM 304 CA SER A 46 -13.865 7.971 7.652 1.00 0.00 C ATOM 305 C SER A 46 -13.733 6.652 8.414 1.00 0.00 C ATOM 306 O SER A 46 -13.830 6.627 9.639 1.00 0.00 O ATOM 307 CB SER A 46 -12.545 8.743 7.678 1.00 0.00 C ATOM 308 OG SER A 46 -12.365 9.408 8.916 1.00 0.00 O ATOM 0 H SER A 46 -14.625 9.410 8.969 1.00 0.00 H new ATOM 0 HA SER A 46 -14.114 7.744 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.716 8.057 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.530 9.470 6.866 1.00 0.00 H new ATOM 0 HG SER A 46 -11.513 9.892 8.906 1.00 0.00 H new ATOM 314 N PHE A 47 -13.511 5.562 7.692 1.00 0.00 N ATOM 315 CA PHE A 47 -13.477 4.235 8.295 1.00 0.00 C ATOM 316 C PHE A 47 -12.546 3.311 7.517 1.00 0.00 C ATOM 317 O PHE A 47 -12.180 3.600 6.379 1.00 0.00 O ATOM 318 CB PHE A 47 -14.891 3.639 8.343 1.00 0.00 C ATOM 319 CG PHE A 47 -15.603 3.648 7.015 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.391 2.642 6.085 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.489 4.666 6.701 1.00 0.00 C ATOM 322 CE1 PHE A 47 -16.048 2.654 4.869 1.00 0.00 C ATOM 323 CE2 PHE A 47 -17.147 4.685 5.489 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.926 3.677 4.571 1.00 0.00 C ATOM 0 H PHE A 47 -13.351 5.570 6.685 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.097 4.331 9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.830 2.612 8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.485 4.197 9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.705 1.840 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.667 5.456 7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.875 1.864 4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.833 5.486 5.258 1.00 0.00 H new ATOM 0 HZ PHE A 47 -17.440 3.689 3.621 1.00 0.00 H new ATOM 334 N GLU A 48 -12.167 2.203 8.137 1.00 0.00 N ATOM 335 CA GLU A 48 -11.310 1.226 7.486 1.00 0.00 C ATOM 336 C GLU A 48 -12.143 0.090 6.914 1.00 0.00 C ATOM 337 O GLU A 48 -12.819 -0.631 7.652 1.00 0.00 O ATOM 338 CB GLU A 48 -10.281 0.672 8.470 1.00 0.00 C ATOM 339 CG GLU A 48 -9.370 1.733 9.057 1.00 0.00 C ATOM 340 CD GLU A 48 -8.334 1.152 9.993 1.00 0.00 C ATOM 341 OE1 GLU A 48 -7.263 0.727 9.514 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -8.581 1.121 11.217 1.00 0.00 O ATOM 0 H GLU A 48 -12.440 1.959 9.089 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.783 1.724 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.803 0.164 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.673 -0.077 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.868 2.264 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.971 2.466 9.595 1.00 0.00 H new ATOM 349 N VAL A 49 -12.085 -0.062 5.603 1.00 0.00 N ATOM 350 CA VAL A 49 -12.823 -1.102 4.912 1.00 0.00 C ATOM 351 C VAL A 49 -11.853 -2.131 4.326 1.00 0.00 C ATOM 352 O VAL A 49 -10.870 -1.772 3.676 1.00 0.00 O ATOM 353 CB VAL A 49 -13.723 -0.501 3.800 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.909 0.331 2.819 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.494 -1.589 3.069 1.00 0.00 C ATOM 0 H VAL A 49 -11.526 0.531 4.989 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.472 -1.601 5.631 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.443 0.158 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.568 0.738 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.423 1.149 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.152 -0.297 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.116 -1.138 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.793 -2.286 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.127 -2.125 3.777 1.00 0.00 H new ATOM 365 N PRO A 50 -12.088 -3.423 4.599 1.00 0.00 N ATOM 366 CA PRO A 50 -11.226 -4.503 4.113 1.00 0.00 C ATOM 367 C PRO A 50 -11.179 -4.586 2.588 1.00 0.00 C ATOM 368 O PRO A 50 -12.191 -4.412 1.912 1.00 0.00 O ATOM 369 CB PRO A 50 -11.859 -5.772 4.695 1.00 0.00 C ATOM 370 CG PRO A 50 -13.253 -5.387 5.054 1.00 0.00 C ATOM 371 CD PRO A 50 -13.202 -3.932 5.416 1.00 0.00 C ATOM 0 HA PRO A 50 -10.191 -4.349 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.850 -6.585 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.309 -6.120 5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.932 -5.557 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.619 -5.984 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.138 -3.425 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.020 -3.788 6.481 1.00 0.00 H new ATOM 379 N ILE A 51 -9.998 -4.873 2.061 1.00 0.00 N ATOM 380 CA ILE A 51 -9.820 -5.044 0.628 1.00 0.00 C ATOM 381 C ILE A 51 -9.690 -6.521 0.323 1.00 0.00 C ATOM 382 O ILE A 51 -8.969 -7.247 1.011 1.00 0.00 O ATOM 383 CB ILE A 51 -8.562 -4.314 0.098 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.592 -2.831 0.472 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.446 -4.474 -1.414 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.743 -2.071 -0.145 1.00 0.00 C ATOM 0 H ILE A 51 -9.145 -4.993 2.608 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.689 -4.611 0.133 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.688 -4.768 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.648 -2.740 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.655 -2.368 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.556 -3.954 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.371 -5.532 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.328 -4.050 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.698 -1.027 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.677 -2.130 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.686 -2.507 0.185 1.00 0.00 H new ATOM 398 N TYR A 52 -10.396 -6.969 -0.695 1.00 0.00 N ATOM 399 CA TYR A 52 -10.449 -8.380 -1.001 1.00 0.00 C ATOM 400 C TYR A 52 -9.690 -8.681 -2.278 1.00 0.00 C ATOM 401 O TYR A 52 -10.081 -8.245 -3.359 1.00 0.00 O ATOM 402 CB TYR A 52 -11.904 -8.818 -1.126 1.00 0.00 C ATOM 403 CG TYR A 52 -12.720 -8.506 0.107 1.00 0.00 C ATOM 404 CD1 TYR A 52 -12.477 -9.171 1.297 1.00 0.00 C ATOM 405 CD2 TYR A 52 -13.728 -7.551 0.083 1.00 0.00 C ATOM 406 CE1 TYR A 52 -13.215 -8.900 2.430 1.00 0.00 C ATOM 407 CE2 TYR A 52 -14.471 -7.272 1.214 1.00 0.00 C ATOM 408 CZ TYR A 52 -14.211 -7.952 2.385 1.00 0.00 C ATOM 409 OH TYR A 52 -14.947 -7.682 3.516 1.00 0.00 O ATOM 0 H TYR A 52 -10.939 -6.376 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.976 -8.937 -0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -12.354 -8.325 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.940 -9.890 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.695 -9.915 1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.934 -7.018 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -13.012 -9.430 3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -15.251 -6.526 1.181 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.609 -6.988 3.317 1.00 0.00 H new ATOM 419 N ALA A 53 -8.590 -9.400 -2.138 1.00 0.00 N ATOM 420 CA ALA A 53 -7.801 -9.826 -3.280 1.00 0.00 C ATOM 421 C ALA A 53 -7.006 -11.075 -2.944 1.00 0.00 C ATOM 422 O ALA A 53 -6.886 -11.444 -1.773 1.00 0.00 O ATOM 423 CB ALA A 53 -6.869 -8.720 -3.737 1.00 0.00 C ATOM 0 H ALA A 53 -8.221 -9.703 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.487 -10.057 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.289 -9.064 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.454 -7.846 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.193 -8.455 -2.924 1.00 0.00 H new ATOM 429 N GLU A 54 -6.459 -11.716 -3.962 1.00 0.00 N ATOM 430 CA GLU A 54 -5.625 -12.888 -3.754 1.00 0.00 C ATOM 431 C GLU A 54 -4.257 -12.493 -3.197 1.00 0.00 C ATOM 432 O GLU A 54 -3.847 -12.972 -2.138 1.00 0.00 O ATOM 433 CB GLU A 54 -5.474 -13.677 -5.060 1.00 0.00 C ATOM 434 CG GLU A 54 -5.123 -12.821 -6.269 1.00 0.00 C ATOM 435 CD GLU A 54 -4.982 -13.632 -7.538 1.00 0.00 C ATOM 436 OE1 GLU A 54 -5.976 -14.250 -7.966 1.00 0.00 O ATOM 437 OE2 GLU A 54 -3.878 -13.643 -8.124 1.00 0.00 O1- ATOM 0 H GLU A 54 -6.576 -11.446 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.113 -13.529 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.700 -14.433 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.405 -14.206 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.895 -12.065 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.190 -12.292 -6.076 1.00 0.00 H new ATOM 444 N THR A 55 -3.579 -11.590 -3.890 1.00 0.00 N ATOM 445 CA THR A 55 -2.221 -11.214 -3.535 1.00 0.00 C ATOM 446 C THR A 55 -2.131 -9.713 -3.239 1.00 0.00 C ATOM 447 O THR A 55 -3.017 -8.952 -3.631 1.00 0.00 O ATOM 448 CB THR A 55 -1.251 -11.604 -4.673 1.00 0.00 C ATOM 449 OG1 THR A 55 -1.510 -12.957 -5.072 1.00 0.00 O ATOM 450 CG2 THR A 55 0.203 -11.485 -4.239 1.00 0.00 C ATOM 0 H THR A 55 -3.951 -11.103 -4.705 1.00 0.00 H new ATOM 0 HA THR A 55 -1.936 -11.752 -2.631 1.00 0.00 H new ATOM 0 HB THR A 55 -1.415 -10.919 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.898 -13.208 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.854 -11.768 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.413 -10.456 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.385 -12.146 -3.392 1.00 0.00 H new ATOM 458 N LEU A 56 -1.082 -9.300 -2.537 1.00 0.00 N ATOM 459 CA LEU A 56 -0.917 -7.911 -2.117 1.00 0.00 C ATOM 460 C LEU A 56 -0.982 -6.938 -3.300 1.00 0.00 C ATOM 461 O LEU A 56 -1.742 -5.966 -3.267 1.00 0.00 O ATOM 462 CB LEU A 56 0.407 -7.764 -1.363 1.00 0.00 C ATOM 463 CG LEU A 56 0.751 -6.355 -0.884 1.00 0.00 C ATOM 464 CD1 LEU A 56 -0.371 -5.782 -0.035 1.00 0.00 C ATOM 465 CD2 LEU A 56 2.050 -6.378 -0.096 1.00 0.00 C ATOM 0 H LEU A 56 -0.323 -9.915 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.745 -7.654 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.385 -8.426 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.212 -8.113 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 56 0.875 -5.714 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.102 -4.778 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.287 -5.738 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.530 -6.419 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.288 -5.370 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.940 -7.034 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.855 -6.747 -0.732 1.00 0.00 H new ATOM 477 N ASP A 57 -0.208 -7.217 -4.350 1.00 0.00 N ATOM 478 CA ASP A 57 -0.174 -6.352 -5.534 1.00 0.00 C ATOM 479 C ASP A 57 -1.562 -6.231 -6.156 1.00 0.00 C ATOM 480 O ASP A 57 -1.938 -5.179 -6.671 1.00 0.00 O ATOM 481 CB ASP A 57 0.819 -6.889 -6.576 1.00 0.00 C ATOM 482 CG ASP A 57 0.319 -8.127 -7.303 1.00 0.00 C ATOM 483 OD1 ASP A 57 0.277 -9.212 -6.685 1.00 0.00 O ATOM 484 OD2 ASP A 57 -0.021 -8.023 -8.503 1.00 0.00 O1- ATOM 0 H ASP A 57 0.403 -8.032 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 57 0.155 -5.364 -5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.027 -6.107 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.762 -7.123 -6.082 1.00 0.00 H new ATOM 489 N GLU A 58 -2.322 -7.315 -6.079 1.00 0.00 N ATOM 490 CA GLU A 58 -3.673 -7.355 -6.614 1.00 0.00 C ATOM 491 C GLU A 58 -4.597 -6.465 -5.785 1.00 0.00 C ATOM 492 O GLU A 58 -5.451 -5.756 -6.319 1.00 0.00 O ATOM 493 CB GLU A 58 -4.183 -8.798 -6.599 1.00 0.00 C ATOM 494 CG GLU A 58 -5.496 -8.997 -7.331 1.00 0.00 C ATOM 495 CD GLU A 58 -5.344 -8.875 -8.830 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.361 -7.742 -9.344 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -5.210 -9.920 -9.500 1.00 0.00 O ATOM 0 H GLU A 58 -2.020 -8.187 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.663 -6.985 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.428 -9.444 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.304 -9.119 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.899 -9.980 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.219 -8.261 -6.981 1.00 0.00 H new ATOM 504 N ALA A 59 -4.401 -6.504 -4.473 1.00 0.00 N ATOM 505 CA ALA A 59 -5.217 -5.735 -3.546 1.00 0.00 C ATOM 506 C ALA A 59 -4.983 -4.248 -3.717 1.00 0.00 C ATOM 507 O ALA A 59 -5.920 -3.458 -3.679 1.00 0.00 O ATOM 508 CB ALA A 59 -4.913 -6.138 -2.117 1.00 0.00 C ATOM 0 H ALA A 59 -3.677 -7.066 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.263 -5.949 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.531 -5.554 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.128 -7.198 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.861 -5.952 -1.902 1.00 0.00 H new ATOM 514 N LEU A 60 -3.725 -3.881 -3.900 1.00 0.00 N ATOM 515 CA LEU A 60 -3.343 -2.487 -4.049 1.00 0.00 C ATOM 516 C LEU A 60 -4.063 -1.843 -5.230 1.00 0.00 C ATOM 517 O LEU A 60 -4.538 -0.710 -5.134 1.00 0.00 O ATOM 518 CB LEU A 60 -1.825 -2.384 -4.217 1.00 0.00 C ATOM 519 CG LEU A 60 -1.285 -0.980 -4.488 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.861 0.022 -3.502 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.230 -0.984 -4.407 1.00 0.00 C ATOM 0 H LEU A 60 -2.945 -4.536 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.639 -1.946 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.350 -2.768 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.523 -3.035 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.589 -0.682 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.462 1.013 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.947 0.041 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.588 -0.268 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.607 0.020 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.540 -1.302 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.632 -1.673 -5.150 1.00 0.00 H new ATOM 533 N GLU A 61 -4.151 -2.572 -6.331 1.00 0.00 N ATOM 534 CA GLU A 61 -4.850 -2.085 -7.509 1.00 0.00 C ATOM 535 C GLU A 61 -6.323 -1.841 -7.206 1.00 0.00 C ATOM 536 O GLU A 61 -6.854 -0.768 -7.488 1.00 0.00 O ATOM 537 CB GLU A 61 -4.706 -3.081 -8.658 1.00 0.00 C ATOM 538 CG GLU A 61 -3.293 -3.164 -9.208 1.00 0.00 C ATOM 539 CD GLU A 61 -2.876 -1.895 -9.923 1.00 0.00 C ATOM 540 OE1 GLU A 61 -2.577 -0.886 -9.249 1.00 0.00 O ATOM 541 OE2 GLU A 61 -2.838 -1.899 -11.168 1.00 0.00 O1- ATOM 0 H GLU A 61 -3.747 -3.503 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.401 -1.137 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.013 -4.069 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.385 -2.798 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.599 -3.362 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.223 -4.006 -9.897 1.00 0.00 H new ATOM 548 N LEU A 62 -6.965 -2.829 -6.600 1.00 0.00 N ATOM 549 CA LEU A 62 -8.397 -2.763 -6.334 1.00 0.00 C ATOM 550 C LEU A 62 -8.729 -1.765 -5.230 1.00 0.00 C ATOM 551 O LEU A 62 -9.758 -1.099 -5.290 1.00 0.00 O ATOM 552 CB LEU A 62 -8.932 -4.143 -5.954 1.00 0.00 C ATOM 553 CG LEU A 62 -8.851 -5.199 -7.055 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.291 -6.552 -6.524 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.705 -4.790 -8.246 1.00 0.00 C ATOM 0 H LEU A 62 -6.517 -3.688 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.878 -2.422 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.379 -4.503 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.973 -4.040 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.815 -5.278 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.228 -7.294 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.642 -6.848 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.320 -6.487 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.637 -5.553 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.743 -4.685 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.348 -3.839 -8.640 1.00 0.00 H new ATOM 567 N ALA A 63 -7.857 -1.659 -4.233 1.00 0.00 N ATOM 568 CA ALA A 63 -8.112 -0.801 -3.079 1.00 0.00 C ATOM 569 C ALA A 63 -8.505 0.608 -3.503 1.00 0.00 C ATOM 570 O ALA A 63 -9.528 1.127 -3.070 1.00 0.00 O ATOM 571 CB ALA A 63 -6.902 -0.758 -2.159 1.00 0.00 C ATOM 0 H ALA A 63 -6.967 -2.156 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.951 -1.232 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.116 -0.113 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.678 -1.764 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.044 -0.366 -2.705 1.00 0.00 H new ATOM 577 N GLU A 64 -7.692 1.223 -4.345 1.00 0.00 N ATOM 578 CA GLU A 64 -8.022 2.536 -4.869 1.00 0.00 C ATOM 579 C GLU A 64 -8.987 2.424 -6.049 1.00 0.00 C ATOM 580 O GLU A 64 -10.105 2.933 -5.999 1.00 0.00 O ATOM 581 CB GLU A 64 -6.757 3.293 -5.288 1.00 0.00 C ATOM 582 CG GLU A 64 -7.040 4.703 -5.778 1.00 0.00 C ATOM 583 CD GLU A 64 -5.788 5.457 -6.170 1.00 0.00 C ATOM 584 OE1 GLU A 64 -5.288 5.234 -7.291 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.317 6.299 -5.370 1.00 0.00 O1- ATOM 0 H GLU A 64 -6.808 0.839 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.512 3.098 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.072 3.340 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.252 2.735 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.712 4.656 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.560 5.256 -4.996 1.00 0.00 H new ATOM 592 N TRP A 65 -8.566 1.706 -7.087 1.00 0.00 N ATOM 593 CA TRP A 65 -9.251 1.733 -8.377 1.00 0.00 C ATOM 594 C TRP A 65 -10.685 1.197 -8.302 1.00 0.00 C ATOM 595 O TRP A 65 -11.564 1.663 -9.026 1.00 0.00 O ATOM 596 CB TRP A 65 -8.462 0.933 -9.408 1.00 0.00 C ATOM 597 CG TRP A 65 -8.299 1.663 -10.704 1.00 0.00 C ATOM 598 CD1 TRP A 65 -7.274 2.493 -11.043 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.188 1.642 -11.826 1.00 0.00 C ATOM 600 NE1 TRP A 65 -7.465 2.987 -12.310 1.00 0.00 N ATOM 601 CE2 TRP A 65 -8.634 2.479 -12.811 1.00 0.00 C ATOM 602 CE3 TRP A 65 -10.395 0.996 -12.094 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -9.248 2.687 -14.043 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.005 1.203 -13.316 1.00 0.00 C ATOM 605 CH2 TRP A 65 -10.430 2.042 -14.277 1.00 0.00 C ATOM 0 H TRP A 65 -7.750 1.095 -7.060 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.310 2.779 -8.677 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.478 0.696 -9.003 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.968 -0.015 -9.591 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -6.433 2.729 -10.408 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.839 3.627 -12.798 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -10.845 0.345 -11.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -8.807 3.334 -14.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -11.941 0.709 -13.533 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.931 2.183 -15.223 1.00 0.00 H new ATOM 616 N GLN A 66 -10.918 0.208 -7.449 1.00 0.00 N ATOM 617 CA GLN A 66 -12.237 -0.412 -7.347 1.00 0.00 C ATOM 618 C GLN A 66 -13.147 0.382 -6.408 1.00 0.00 C ATOM 619 O GLN A 66 -14.370 0.357 -6.542 1.00 0.00 O ATOM 620 CB GLN A 66 -12.106 -1.866 -6.868 1.00 0.00 C ATOM 621 CG GLN A 66 -13.396 -2.669 -6.945 1.00 0.00 C ATOM 622 CD GLN A 66 -13.208 -4.119 -6.534 1.00 0.00 C ATOM 623 OE1 GLN A 66 -12.386 -4.437 -5.675 1.00 0.00 O ATOM 624 NE2 GLN A 66 -13.961 -5.011 -7.156 1.00 0.00 N ATOM 0 H GLN A 66 -10.216 -0.182 -6.820 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.692 -0.409 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.344 -2.366 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.753 -1.866 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.146 -2.207 -6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.783 -2.631 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.631 -4.708 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.871 -6.001 -6.929 1.00 0.00 H new ATOM 633 N TYR A 67 -12.541 1.110 -5.479 1.00 0.00 N ATOM 634 CA TYR A 67 -13.294 1.783 -4.426 1.00 0.00 C ATOM 635 C TYR A 67 -13.617 3.236 -4.765 1.00 0.00 C ATOM 636 O TYR A 67 -14.684 3.738 -4.402 1.00 0.00 O ATOM 637 CB TYR A 67 -12.528 1.707 -3.107 1.00 0.00 C ATOM 638 CG TYR A 67 -12.699 0.387 -2.393 1.00 0.00 C ATOM 639 CD1 TYR A 67 -12.291 -0.805 -2.978 1.00 0.00 C ATOM 640 CD2 TYR A 67 -13.276 0.336 -1.132 1.00 0.00 C ATOM 641 CE1 TYR A 67 -12.459 -2.010 -2.328 1.00 0.00 C ATOM 642 CE2 TYR A 67 -13.442 -0.863 -0.474 1.00 0.00 C ATOM 643 CZ TYR A 67 -13.034 -2.034 -1.075 1.00 0.00 C ATOM 644 OH TYR A 67 -13.220 -3.233 -0.427 1.00 0.00 O ATOM 0 H TYR A 67 -11.532 1.250 -5.432 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.247 1.262 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.468 1.873 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.863 2.512 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.835 -0.788 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.600 1.251 -0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.142 -2.929 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.890 -0.885 0.508 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.698 -3.241 0.402 1.00 0.00 H new ATOM 654 N VAL A 68 -12.717 3.912 -5.465 1.00 0.00 N ATOM 655 CA VAL A 68 -12.914 5.328 -5.760 1.00 0.00 C ATOM 656 C VAL A 68 -14.161 5.613 -6.626 1.00 0.00 C ATOM 657 O VAL A 68 -14.824 6.625 -6.394 1.00 0.00 O ATOM 658 CB VAL A 68 -11.658 6.004 -6.364 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.530 5.999 -5.347 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.205 5.347 -7.661 1.00 0.00 C ATOM 0 H VAL A 68 -11.855 3.512 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.094 5.782 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.928 7.031 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.650 6.476 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.840 6.546 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.290 4.971 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.322 5.861 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.964 4.301 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.005 5.409 -8.399 1.00 0.00 H new ATOM 670 N PRO A 69 -14.540 4.755 -7.611 1.00 0.00 N ATOM 671 CA PRO A 69 -15.756 4.975 -8.398 1.00 0.00 C ATOM 672 C PRO A 69 -17.006 4.563 -7.627 1.00 0.00 C ATOM 673 O PRO A 69 -18.125 4.933 -7.985 1.00 0.00 O ATOM 674 CB PRO A 69 -15.575 4.080 -9.635 1.00 0.00 C ATOM 675 CG PRO A 69 -14.198 3.509 -9.528 1.00 0.00 C ATOM 676 CD PRO A 69 -13.853 3.540 -8.069 1.00 0.00 C ATOM 0 HA PRO A 69 -15.891 6.027 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.325 3.290 -9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.689 4.655 -10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.166 2.491 -9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.486 4.094 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.208 2.651 -7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.777 3.596 -7.907 1.00 0.00 H new ATOM 684 N ALA A 70 -16.805 3.798 -6.561 1.00 0.00 N ATOM 685 CA ALA A 70 -17.907 3.332 -5.733 1.00 0.00 C ATOM 686 C ALA A 70 -18.269 4.375 -4.682 1.00 0.00 C ATOM 687 O ALA A 70 -19.286 4.256 -4.000 1.00 0.00 O ATOM 688 CB ALA A 70 -17.552 2.004 -5.079 1.00 0.00 C ATOM 0 H ALA A 70 -15.885 3.487 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 70 -18.779 3.179 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -18.386 1.668 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -17.348 1.261 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.667 2.131 -4.455 1.00 0.00 H new ATOM 694 N GLY A 71 -17.434 5.400 -4.565 1.00 0.00 N ATOM 695 CA GLY A 71 -17.718 6.487 -3.649 1.00 0.00 C ATOM 696 C GLY A 71 -16.879 6.433 -2.390 1.00 0.00 C ATOM 697 O GLY A 71 -17.278 6.949 -1.346 1.00 0.00 O ATOM 0 H GLY A 71 -16.564 5.498 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.543 7.436 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.773 6.460 -3.377 1.00 0.00 H new ATOM 701 N PHE A 72 -15.723 5.798 -2.474 1.00 0.00 N ATOM 702 CA PHE A 72 -14.819 5.716 -1.338 1.00 0.00 C ATOM 703 C PHE A 72 -13.537 6.486 -1.626 1.00 0.00 C ATOM 704 O PHE A 72 -12.713 6.052 -2.431 1.00 0.00 O ATOM 705 CB PHE A 72 -14.475 4.260 -1.018 1.00 0.00 C ATOM 706 CG PHE A 72 -15.657 3.409 -0.649 1.00 0.00 C ATOM 707 CD1 PHE A 72 -16.088 3.328 0.663 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.328 2.681 -1.616 1.00 0.00 C ATOM 709 CE1 PHE A 72 -17.170 2.537 1.005 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.409 1.890 -1.283 1.00 0.00 C ATOM 711 CZ PHE A 72 -17.832 1.818 0.029 1.00 0.00 C ATOM 0 H PHE A 72 -15.387 5.331 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.322 6.157 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.980 3.818 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -13.759 4.241 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -15.574 3.889 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -16.002 2.732 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -17.496 2.482 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -17.923 1.328 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 72 -18.679 1.201 0.292 1.00 0.00 H new ATOM 721 N GLU A 73 -13.375 7.632 -0.981 1.00 0.00 N ATOM 722 CA GLU A 73 -12.152 8.403 -1.122 1.00 0.00 C ATOM 723 C GLU A 73 -11.097 7.861 -0.168 1.00 0.00 C ATOM 724 O GLU A 73 -11.072 8.204 1.016 1.00 0.00 O ATOM 725 CB GLU A 73 -12.403 9.890 -0.860 1.00 0.00 C ATOM 726 CG GLU A 73 -11.199 10.768 -1.166 1.00 0.00 C ATOM 727 CD GLU A 73 -11.490 12.244 -0.994 1.00 0.00 C ATOM 728 OE1 GLU A 73 -12.246 12.807 -1.816 1.00 0.00 O1- ATOM 729 OE2 GLU A 73 -10.965 12.854 -0.039 1.00 0.00 O ATOM 0 H GLU A 73 -14.070 8.045 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.794 8.306 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.248 10.221 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.686 10.025 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.374 10.486 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.871 10.584 -2.189 1.00 0.00 H new ATOM 736 N VAL A 74 -10.256 6.982 -0.687 1.00 0.00 N ATOM 737 CA VAL A 74 -9.221 6.335 0.104 1.00 0.00 C ATOM 738 C VAL A 74 -8.286 7.359 0.753 1.00 0.00 C ATOM 739 O VAL A 74 -7.862 8.329 0.123 1.00 0.00 O ATOM 740 CB VAL A 74 -8.390 5.365 -0.766 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.245 4.197 -1.241 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.781 6.094 -1.957 1.00 0.00 C ATOM 0 H VAL A 74 -10.271 6.697 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.725 5.775 0.892 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.580 4.972 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.639 3.527 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.630 3.653 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.079 4.574 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.200 5.392 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.576 6.520 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.130 6.892 -1.601 1.00 0.00 H new ATOM 752 N THR A 75 -7.984 7.146 2.024 1.00 0.00 N ATOM 753 CA THR A 75 -7.079 8.019 2.752 1.00 0.00 C ATOM 754 C THR A 75 -5.769 7.296 3.054 1.00 0.00 C ATOM 755 O THR A 75 -4.695 7.769 2.705 1.00 0.00 O ATOM 756 CB THR A 75 -7.723 8.519 4.061 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.974 9.150 3.769 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.815 9.503 4.784 1.00 0.00 C ATOM 0 H THR A 75 -8.355 6.372 2.575 1.00 0.00 H new ATOM 0 HA THR A 75 -6.869 8.884 2.123 1.00 0.00 H new ATOM 0 HB THR A 75 -7.881 7.659 4.712 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.897 10.115 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.298 9.836 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.871 9.016 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.625 10.363 4.141 1.00 0.00 H new ATOM 766 N ARG A 76 -5.855 6.134 3.673 1.00 0.00 N ATOM 767 CA ARG A 76 -4.670 5.333 3.948 1.00 0.00 C ATOM 768 C ARG A 76 -4.998 3.857 3.803 1.00 0.00 C ATOM 769 O ARG A 76 -6.124 3.500 3.467 1.00 0.00 O ATOM 770 CB ARG A 76 -4.114 5.620 5.351 1.00 0.00 C ATOM 771 CG ARG A 76 -3.435 6.977 5.480 1.00 0.00 C ATOM 772 CD ARG A 76 -2.690 7.111 6.799 1.00 0.00 C ATOM 773 NE ARG A 76 -3.586 7.035 7.951 1.00 0.00 N ATOM 774 CZ ARG A 76 -3.177 6.842 9.204 1.00 0.00 C ATOM 775 NH1 ARG A 76 -1.886 6.694 9.472 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -4.064 6.799 10.189 1.00 0.00 N ATOM 0 H ARG A 76 -6.730 5.721 3.996 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.901 5.603 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.929 5.562 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.399 4.840 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.738 7.115 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.182 7.767 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.940 6.323 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.157 8.062 6.818 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.587 7.136 7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.201 6.728 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.578 6.547 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.057 6.914 9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.753 6.651 11.149 1.00 0.00 H new ATOM 790 N VAL A 77 -4.013 3.009 4.020 1.00 0.00 N ATOM 791 CA VAL A 77 -4.218 1.573 3.991 1.00 0.00 C ATOM 792 C VAL A 77 -3.184 0.913 4.884 1.00 0.00 C ATOM 793 O VAL A 77 -2.096 1.453 5.074 1.00 0.00 O ATOM 794 CB VAL A 77 -4.110 1.004 2.553 1.00 0.00 C ATOM 795 CG1 VAL A 77 -2.676 1.055 2.051 1.00 0.00 C ATOM 796 CG2 VAL A 77 -4.652 -0.417 2.474 1.00 0.00 C ATOM 0 H VAL A 77 -3.054 3.292 4.220 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.225 1.361 4.351 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.722 1.634 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.630 0.650 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.330 2.088 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.039 0.463 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.561 -0.785 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.083 -1.061 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.701 -0.423 2.770 1.00 0.00 H new ATOM 806 N ARG A 78 -3.521 -0.225 5.456 1.00 0.00 N ATOM 807 CA ARG A 78 -2.568 -0.951 6.268 1.00 0.00 C ATOM 808 C ARG A 78 -2.687 -2.449 6.021 1.00 0.00 C ATOM 809 O ARG A 78 -3.523 -3.126 6.623 1.00 0.00 O ATOM 810 CB ARG A 78 -2.774 -0.632 7.746 1.00 0.00 C ATOM 811 CG ARG A 78 -1.511 -0.769 8.582 1.00 0.00 C ATOM 812 CD ARG A 78 -0.425 0.194 8.113 1.00 0.00 C ATOM 813 NE ARG A 78 0.605 -0.468 7.306 1.00 0.00 N ATOM 814 CZ ARG A 78 1.105 0.027 6.168 1.00 0.00 C ATOM 815 NH1 ARG A 78 0.602 1.133 5.636 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 2.099 -0.598 5.547 1.00 0.00 N ATOM 0 H ARG A 78 -4.438 -0.663 5.375 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.563 -0.636 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.153 0.386 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.540 -1.295 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.743 -0.575 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.142 -1.793 8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.881 0.993 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.042 0.660 8.981 1.00 0.00 H new ATOM 0 HE ARG A 78 0.964 -1.365 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.172 1.613 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.989 1.503 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.484 -1.458 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.478 -0.218 4.680 1.00 0.00 H new ATOM 830 N PRO A 79 -1.875 -2.974 5.095 1.00 0.00 N ATOM 831 CA PRO A 79 -1.793 -4.412 4.828 1.00 0.00 C ATOM 832 C PRO A 79 -1.190 -5.165 6.007 1.00 0.00 C ATOM 833 O PRO A 79 -0.589 -4.556 6.897 1.00 0.00 O ATOM 834 CB PRO A 79 -0.858 -4.504 3.609 1.00 0.00 C ATOM 835 CG PRO A 79 -0.796 -3.122 3.051 1.00 0.00 C ATOM 836 CD PRO A 79 -0.975 -2.207 4.223 1.00 0.00 C ATOM 0 HA PRO A 79 -2.774 -4.855 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.132 -4.855 3.899 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.242 -5.208 2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.158 -2.942 2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.577 -2.964 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.027 -1.986 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.412 -1.253 3.929 1.00 0.00 H new ATOM 844 N CYS A 80 -1.361 -6.483 6.015 1.00 0.00 N ATOM 845 CA CYS A 80 -0.779 -7.325 7.049 1.00 0.00 C ATOM 846 C CYS A 80 0.744 -7.320 6.940 1.00 0.00 C ATOM 847 O CYS A 80 1.338 -8.140 6.235 1.00 0.00 O ATOM 848 CB CYS A 80 -1.327 -8.750 6.928 1.00 0.00 C ATOM 849 SG CYS A 80 -1.306 -9.405 5.242 1.00 0.00 S ATOM 0 H CYS A 80 -1.900 -6.991 5.314 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.051 -6.929 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.743 -9.409 7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.351 -8.767 7.301 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.131 -9.219 4.719 1.00 0.00 H new ATOM 855 N VAL A 81 1.368 -6.377 7.632 1.00 0.00 N ATOM 856 CA VAL A 81 2.804 -6.189 7.551 1.00 0.00 C ATOM 857 C VAL A 81 3.554 -7.219 8.407 1.00 0.00 C ATOM 858 O VAL A 81 4.003 -6.944 9.519 1.00 0.00 O ATOM 859 CB VAL A 81 3.204 -4.734 7.921 1.00 0.00 C ATOM 860 CG1 VAL A 81 2.675 -4.334 9.293 1.00 0.00 C ATOM 861 CG2 VAL A 81 4.711 -4.547 7.842 1.00 0.00 C ATOM 0 H VAL A 81 0.895 -5.727 8.260 1.00 0.00 H new ATOM 0 HA VAL A 81 3.101 -6.354 6.515 1.00 0.00 H new ATOM 0 HB VAL A 81 2.740 -4.073 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.976 -3.310 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.587 -4.401 9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.083 -5.004 10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.965 -3.520 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.199 -5.231 8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.051 -4.756 6.828 1.00 0.00 H new ATOM 871 N ALA A 82 3.653 -8.426 7.875 1.00 0.00 N ATOM 872 CA ALA A 82 4.449 -9.478 8.487 1.00 0.00 C ATOM 873 C ALA A 82 5.388 -10.076 7.445 1.00 0.00 C ATOM 874 O ALA A 82 5.153 -11.171 6.935 1.00 0.00 O ATOM 875 CB ALA A 82 3.549 -10.550 9.087 1.00 0.00 C ATOM 0 H ALA A 82 3.187 -8.704 7.011 1.00 0.00 H new ATOM 0 HA ALA A 82 5.044 -9.054 9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.163 -11.328 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.909 -10.104 9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.930 -10.986 8.303 1.00 0.00 H new ATOM 881 N PRO A 83 6.455 -9.344 7.093 1.00 0.00 N ATOM 882 CA PRO A 83 7.388 -9.748 6.043 1.00 0.00 C ATOM 883 C PRO A 83 8.361 -10.824 6.516 1.00 0.00 C ATOM 884 O PRO A 83 9.449 -10.525 7.013 1.00 0.00 O ATOM 885 CB PRO A 83 8.139 -8.452 5.697 1.00 0.00 C ATOM 886 CG PRO A 83 7.504 -7.375 6.522 1.00 0.00 C ATOM 887 CD PRO A 83 6.852 -8.064 7.682 1.00 0.00 C ATOM 0 HA PRO A 83 6.870 -10.188 5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.201 -8.543 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.060 -8.227 4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.249 -6.657 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.771 -6.819 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.540 -8.195 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.995 -7.505 8.059 1.00 0.00 H new ATOM 895 N LYS A 84 7.951 -12.072 6.370 1.00 0.00 N ATOM 896 CA LYS A 84 8.787 -13.206 6.731 1.00 0.00 C ATOM 897 C LYS A 84 9.923 -13.376 5.727 1.00 0.00 C ATOM 898 O LYS A 84 11.096 -13.396 6.154 1.00 0.00 O ATOM 899 CB LYS A 84 7.946 -14.484 6.829 1.00 0.00 C ATOM 900 CG LYS A 84 7.071 -14.747 5.612 1.00 0.00 C ATOM 901 CD LYS A 84 6.252 -16.020 5.768 1.00 0.00 C ATOM 902 CE LYS A 84 5.302 -15.939 6.953 1.00 0.00 C ATOM 903 NZ LYS A 84 4.455 -17.155 7.071 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 9.643 -13.444 4.508 1.00 0.00 O ATOM 0 H LYS A 84 7.035 -12.328 6.000 1.00 0.00 H new ATOM 0 HA LYS A 84 9.227 -13.014 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.612 -15.334 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.311 -14.421 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.401 -13.901 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.698 -14.825 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.682 -16.199 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.922 -16.870 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.876 -15.807 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.664 -15.062 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.822 -17.059 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.887 -17.268 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.062 -17.990 7.198 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 8.255 0.163 11.450 1.00 0.00 N ATOM 920 CA PRO B 24 8.567 0.793 10.151 1.00 0.00 C ATOM 921 C PRO B 24 8.267 2.284 10.195 1.00 0.00 C ATOM 922 O PRO B 24 7.174 2.693 10.575 1.00 0.00 O ATOM 923 CB PRO B 24 7.742 0.120 9.065 1.00 0.00 C ATOM 924 CG PRO B 24 6.822 -0.764 9.830 1.00 0.00 C ATOM 925 CD PRO B 24 7.529 -1.077 11.127 1.00 0.00 C ATOM 0 HA PRO B 24 9.628 0.669 9.934 1.00 0.00 H new ATOM 0 HB2 PRO B 24 7.195 0.848 8.467 1.00 0.00 H new ATOM 0 HB3 PRO B 24 8.369 -0.450 8.379 1.00 0.00 H new ATOM 0 HG2 PRO B 24 5.869 -0.269 10.015 1.00 0.00 H new ATOM 0 HG3 PRO B 24 6.605 -1.676 9.274 1.00 0.00 H new ATOM 0 HD2 PRO B 24 6.821 -1.341 11.913 1.00 0.00 H new ATOM 0 HD3 PRO B 24 8.211 -1.920 11.016 1.00 0.00 H new ATOM 933 N ALA B 25 9.248 3.090 9.819 1.00 0.00 N ATOM 934 CA ALA B 25 9.080 4.533 9.768 1.00 0.00 C ATOM 935 C ALA B 25 9.154 5.015 8.322 1.00 0.00 C ATOM 936 O ALA B 25 8.485 4.460 7.446 1.00 0.00 O ATOM 937 CB ALA B 25 10.130 5.221 10.633 1.00 0.00 C ATOM 0 H ALA B 25 10.175 2.766 9.543 1.00 0.00 H new ATOM 0 HA ALA B 25 8.099 4.793 10.165 1.00 0.00 H new ATOM 0 HB1 ALA B 25 9.991 6.301 10.584 1.00 0.00 H new ATOM 0 HB2 ALA B 25 10.026 4.888 11.666 1.00 0.00 H new ATOM 0 HB3 ALA B 25 11.125 4.967 10.268 1.00 0.00 H new ATOM 943 N ILE B 26 9.965 6.032 8.065 1.00 0.00 N ATOM 944 CA ILE B 26 10.162 6.523 6.709 1.00 0.00 C ATOM 945 C ILE B 26 11.228 5.677 6.022 1.00 0.00 C ATOM 946 O ILE B 26 12.391 6.078 5.909 1.00 0.00 O ATOM 947 CB ILE B 26 10.578 8.008 6.694 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.669 8.824 7.621 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.519 8.558 5.275 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.191 8.667 7.324 1.00 0.00 C ATOM 0 H ILE B 26 10.497 6.532 8.777 1.00 0.00 H new ATOM 0 HA ILE B 26 9.216 6.443 6.174 1.00 0.00 H new ATOM 0 HB ILE B 26 11.603 8.087 7.055 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.856 8.526 8.652 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.936 9.878 7.541 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.815 9.607 5.279 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.197 7.992 4.637 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.502 8.469 4.892 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.613 9.274 8.021 1.00 0.00 H new ATOM 0 HD12 ILE B 26 7.988 8.993 6.304 1.00 0.00 H new ATOM 0 HD13 ILE B 26 7.907 7.620 7.433 1.00 0.00 H new ATOM 962 N LEU B 27 10.827 4.493 5.587 1.00 0.00 N ATOM 963 CA LEU B 27 11.767 3.523 5.062 1.00 0.00 C ATOM 964 C LEU B 27 11.102 2.582 4.069 1.00 0.00 C ATOM 965 O LEU B 27 9.891 2.639 3.850 1.00 0.00 O ATOM 966 CB LEU B 27 12.375 2.727 6.224 1.00 0.00 C ATOM 967 CG LEU B 27 11.369 2.071 7.184 1.00 0.00 C ATOM 968 CD1 LEU B 27 10.884 0.725 6.663 1.00 0.00 C ATOM 969 CD2 LEU B 27 11.976 1.919 8.566 1.00 0.00 C ATOM 0 H LEU B 27 9.855 4.183 5.588 1.00 0.00 H new ATOM 0 HA LEU B 27 12.554 4.057 4.529 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.015 1.948 5.810 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.017 3.394 6.800 1.00 0.00 H new ATOM 0 HG LEU B 27 10.502 2.728 7.250 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.175 0.295 7.371 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.396 0.863 5.698 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.734 0.052 6.547 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.250 1.453 9.233 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.867 1.294 8.505 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.247 2.901 8.954 1.00 0.00 H new ATOM 981 N ALA B 28 11.915 1.741 3.451 1.00 0.00 N ATOM 982 CA ALA B 28 11.419 0.669 2.609 1.00 0.00 C ATOM 983 C ALA B 28 11.432 -0.631 3.399 1.00 0.00 C ATOM 984 O ALA B 28 12.432 -0.963 4.034 1.00 0.00 O ATOM 985 CB ALA B 28 12.270 0.544 1.356 1.00 0.00 C ATOM 0 H ALA B 28 12.932 1.783 3.519 1.00 0.00 H new ATOM 0 HA ALA B 28 10.398 0.891 2.300 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.886 -0.265 0.734 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.235 1.479 0.798 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.301 0.327 1.636 1.00 0.00 H new ATOM 991 N GLU B 29 10.313 -1.347 3.371 1.00 0.00 N ATOM 992 CA GLU B 29 10.151 -2.575 4.148 1.00 0.00 C ATOM 993 C GLU B 29 11.090 -3.668 3.647 1.00 0.00 C ATOM 994 O GLU B 29 11.439 -4.596 4.377 1.00 0.00 O ATOM 995 CB GLU B 29 8.702 -3.051 4.054 1.00 0.00 C ATOM 996 CG GLU B 29 8.334 -4.114 5.074 1.00 0.00 C ATOM 997 CD GLU B 29 8.411 -3.604 6.499 1.00 0.00 C ATOM 998 OE1 GLU B 29 7.424 -3.005 6.974 1.00 0.00 O ATOM 999 OE2 GLU B 29 9.453 -3.811 7.153 1.00 0.00 O1- ATOM 0 H GLU B 29 9.496 -1.096 2.814 1.00 0.00 H new ATOM 0 HA GLU B 29 10.401 -2.363 5.187 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.040 -2.195 4.182 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.524 -3.445 3.053 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.324 -4.471 4.874 1.00 0.00 H new ATOM 0 HG3 GLU B 29 9.002 -4.968 4.961 1.00 0.00 H new ATOM 1006 N ILE B 30 11.487 -3.545 2.392 1.00 0.00 N ATOM 1007 CA ILE B 30 12.398 -4.485 1.759 1.00 0.00 C ATOM 1008 C ILE B 30 13.388 -3.725 0.890 1.00 0.00 C ATOM 1009 O ILE B 30 13.186 -2.544 0.606 1.00 0.00 O ATOM 1010 CB ILE B 30 11.641 -5.513 0.890 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.580 -4.807 0.041 1.00 0.00 C ATOM 1012 CG2 ILE B 30 11.008 -6.591 1.761 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.840 -5.727 -0.901 1.00 0.00 C ATOM 0 H ILE B 30 11.185 -2.787 1.780 1.00 0.00 H new ATOM 0 HA ILE B 30 12.923 -5.026 2.546 1.00 0.00 H new ATOM 0 HB ILE B 30 12.354 -5.996 0.221 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.860 -4.325 0.703 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.058 -4.018 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.480 -7.305 1.130 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.786 -7.109 2.322 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.305 -6.131 2.456 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.106 -5.154 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.548 -6.190 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.331 -6.502 -0.328 1.00 0.00 H new ATOM 1025 N SER B 31 14.452 -4.389 0.473 1.00 0.00 N ATOM 1026 CA SER B 31 15.458 -3.735 -0.338 1.00 0.00 C ATOM 1027 C SER B 31 15.233 -4.035 -1.805 1.00 0.00 C ATOM 1028 O SER B 31 14.974 -5.176 -2.200 1.00 0.00 O ATOM 1029 CB SER B 31 16.862 -4.174 0.054 1.00 0.00 C ATOM 1030 OG SER B 31 17.851 -3.379 -0.578 1.00 0.00 O ATOM 0 H SER B 31 14.639 -5.370 0.681 1.00 0.00 H new ATOM 0 HA SER B 31 15.368 -2.663 -0.165 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.976 -4.107 1.136 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.006 -5.220 -0.217 1.00 0.00 H new ATOM 0 HG SER B 31 17.426 -2.604 -1.001 1.00 0.00 H new ATOM 1036 N GLY B 32 15.356 -3.004 -2.599 1.00 0.00 N ATOM 1037 CA GLY B 32 15.172 -3.128 -4.022 1.00 0.00 C ATOM 1038 C GLY B 32 14.929 -1.795 -4.679 1.00 0.00 C ATOM 1039 O GLY B 32 15.411 -0.765 -4.206 1.00 0.00 O ATOM 0 H GLY B 32 15.585 -2.062 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.054 -3.593 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.329 -3.790 -4.222 1.00 0.00 H new ATOM 1043 N ILE B 33 14.183 -1.821 -5.766 1.00 0.00 N ATOM 1044 CA ILE B 33 13.853 -0.622 -6.509 1.00 0.00 C ATOM 1045 C ILE B 33 12.409 -0.229 -6.234 1.00 0.00 C ATOM 1046 O ILE B 33 11.480 -0.904 -6.672 1.00 0.00 O ATOM 1047 CB ILE B 33 14.038 -0.848 -8.024 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.458 -1.341 -8.324 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.735 0.423 -8.802 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.540 -0.302 -8.092 1.00 0.00 C ATOM 0 H ILE B 33 13.788 -2.676 -6.159 1.00 0.00 H new ATOM 0 HA ILE B 33 14.523 0.176 -6.188 1.00 0.00 H new ATOM 0 HB ILE B 33 13.333 -1.615 -8.343 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.667 -2.212 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.504 -1.672 -9.362 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.872 0.239 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.705 0.727 -8.616 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.410 1.216 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.514 -0.732 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.359 0.561 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.525 0.012 -7.048 1.00 0.00 H new ATOM 1062 N VAL B 34 12.216 0.843 -5.491 1.00 0.00 N ATOM 1063 CA VAL B 34 10.872 1.299 -5.177 1.00 0.00 C ATOM 1064 C VAL B 34 10.341 2.184 -6.293 1.00 0.00 C ATOM 1065 O VAL B 34 11.041 3.061 -6.786 1.00 0.00 O ATOM 1066 CB VAL B 34 10.812 2.048 -3.824 1.00 0.00 C ATOM 1067 CG1 VAL B 34 11.808 3.194 -3.792 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.403 2.555 -3.545 1.00 0.00 C ATOM 0 H VAL B 34 12.964 1.412 -5.095 1.00 0.00 H new ATOM 0 HA VAL B 34 10.241 0.414 -5.088 1.00 0.00 H new ATOM 0 HB VAL B 34 11.082 1.341 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL B 34 11.745 3.704 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL B 34 12.816 2.804 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.578 3.898 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.387 3.078 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.099 3.239 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.713 1.712 -3.509 1.00 0.00 H new ATOM 1078 N SER B 35 9.115 1.927 -6.710 1.00 0.00 N ATOM 1079 CA SER B 35 8.492 2.699 -7.767 1.00 0.00 C ATOM 1080 C SER B 35 7.087 3.114 -7.363 1.00 0.00 C ATOM 1081 O SER B 35 6.559 2.637 -6.355 1.00 0.00 O ATOM 1082 CB SER B 35 8.473 1.890 -9.064 1.00 0.00 C ATOM 1083 OG SER B 35 8.447 0.494 -8.796 1.00 0.00 O ATOM 0 H SER B 35 8.528 1.184 -6.329 1.00 0.00 H new ATOM 0 HA SER B 35 9.075 3.605 -7.935 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.600 2.166 -9.656 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.352 2.133 -9.661 1.00 0.00 H new ATOM 0 HG SER B 35 8.433 -0.001 -9.642 1.00 0.00 H new ATOM 1089 N PHE B 36 6.486 4.002 -8.139 1.00 0.00 N ATOM 1090 CA PHE B 36 5.165 4.505 -7.821 1.00 0.00 C ATOM 1091 C PHE B 36 4.237 4.364 -9.016 1.00 0.00 C ATOM 1092 O PHE B 36 4.569 4.765 -10.129 1.00 0.00 O ATOM 1093 CB PHE B 36 5.231 5.967 -7.382 1.00 0.00 C ATOM 1094 CG PHE B 36 6.120 6.211 -6.193 1.00 0.00 C ATOM 1095 CD1 PHE B 36 5.937 5.512 -5.011 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.129 7.155 -6.255 1.00 0.00 C ATOM 1097 CE1 PHE B 36 6.746 5.751 -3.916 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.940 7.395 -5.164 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.749 6.691 -3.994 1.00 0.00 C ATOM 0 H PHE B 36 6.893 4.387 -8.991 1.00 0.00 H new ATOM 0 HA PHE B 36 4.770 3.912 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.586 6.571 -8.217 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.224 6.310 -7.146 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.153 4.772 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.284 7.711 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.591 5.201 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.725 8.135 -5.227 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.385 6.876 -3.141 1.00 0.00 H new ATOM 1109 N GLY B 37 3.077 3.788 -8.769 1.00 0.00 N ATOM 1110 CA GLY B 37 2.099 3.591 -9.821 1.00 0.00 C ATOM 1111 C GLY B 37 0.953 4.576 -9.728 1.00 0.00 C ATOM 1112 O GLY B 37 1.029 5.541 -8.954 1.00 0.00 O ATOM 0 H GLY B 37 2.789 3.449 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.586 3.693 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.708 2.575 -9.766 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.114 4.311 -10.487 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.249 5.228 -10.596 1.00 0.00 C ATOM 1118 C LYS B 38 -1.827 5.581 -9.230 1.00 0.00 C ATOM 1119 O LYS B 38 -1.949 4.728 -8.349 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.339 4.643 -11.519 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.948 3.322 -11.052 1.00 0.00 C ATOM 1122 CD LYS B 38 -4.071 3.520 -10.053 1.00 0.00 C ATOM 1123 CE LYS B 38 -4.314 2.250 -9.254 1.00 0.00 C ATOM 1124 NZ LYS B 38 -4.428 1.054 -10.130 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.214 3.460 -11.040 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.879 6.152 -11.041 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.138 5.377 -11.621 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.912 4.497 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.327 2.775 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -2.170 2.706 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -3.822 4.338 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -4.983 3.806 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -3.497 2.105 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -5.227 2.359 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -5.171 0.425 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -4.672 1.353 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -3.521 0.546 -10.144 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.120 6.856 -9.050 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.733 7.341 -7.828 1.00 0.00 C ATOM 1140 C GLU B 39 -3.919 8.253 -8.124 1.00 0.00 C ATOM 1141 O GLU B 39 -4.072 8.736 -9.250 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.700 8.055 -6.959 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.591 8.753 -7.737 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.091 9.854 -8.646 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.335 10.974 -8.156 1.00 0.00 O1- ATOM 1146 OE2 GLU B 39 -1.224 9.611 -9.866 1.00 0.00 O ATOM 0 H GLU B 39 -1.940 7.582 -9.744 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.112 6.480 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.212 8.792 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.250 7.329 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.127 9.173 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.057 8.014 -8.334 1.00 0.00 H new ATOM 1153 N THR B 40 -4.772 8.454 -7.133 1.00 0.00 N ATOM 1154 CA THR B 40 -5.908 9.357 -7.267 1.00 0.00 C ATOM 1155 C THR B 40 -5.468 10.821 -7.333 1.00 0.00 C ATOM 1156 O THR B 40 -5.300 11.382 -8.422 1.00 0.00 O ATOM 1157 CB THR B 40 -6.898 9.169 -6.103 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.189 8.766 -4.920 1.00 0.00 O ATOM 1159 CG2 THR B 40 -7.958 8.139 -6.444 1.00 0.00 C ATOM 0 H THR B 40 -4.700 8.002 -6.221 1.00 0.00 H new ATOM 0 HA THR B 40 -6.402 9.106 -8.205 1.00 0.00 H new ATOM 0 HB THR B 40 -7.396 10.122 -5.924 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.112 7.789 -4.902 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.642 8.029 -5.603 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.514 8.466 -7.323 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.481 7.181 -6.652 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.281 11.438 -6.171 1.00 0.00 N ATOM 1168 CA LYS B 41 -4.873 12.837 -6.097 1.00 0.00 C ATOM 1169 C LYS B 41 -3.698 12.995 -5.143 1.00 0.00 C ATOM 1170 O LYS B 41 -2.560 13.200 -5.563 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.036 13.722 -5.635 1.00 0.00 C ATOM 1172 CG LYS B 41 -7.235 13.713 -6.570 1.00 0.00 C ATOM 1173 CD LYS B 41 -8.360 14.584 -6.036 1.00 0.00 C ATOM 1174 CE LYS B 41 -9.559 14.585 -6.969 1.00 0.00 C ATOM 1175 NZ LYS B 41 -9.231 15.164 -8.296 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.406 10.989 -5.264 1.00 0.00 H new ATOM 0 HA LYS B 41 -4.570 13.153 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.358 13.394 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -5.679 14.746 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.933 14.069 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -7.592 12.691 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.664 14.224 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -8.000 15.604 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -9.919 13.564 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.371 15.154 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -10.109 15.334 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -8.725 16.063 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -8.629 14.501 -8.825 1.00 0.00 H new ATOM 1189 N GLY B 42 -3.978 12.881 -3.853 1.00 0.00 N ATOM 1190 CA GLY B 42 -2.935 12.970 -2.855 1.00 0.00 C ATOM 1191 C GLY B 42 -2.407 11.604 -2.487 1.00 0.00 C ATOM 1192 O GLY B 42 -1.907 11.388 -1.383 1.00 0.00 O ATOM 0 H GLY B 42 -4.915 12.728 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.120 13.587 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.323 13.464 -1.964 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.514 10.676 -3.415 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.079 9.320 -3.176 1.00 0.00 C ATOM 1198 C LYS B 43 -0.826 9.020 -3.974 1.00 0.00 C ATOM 1199 O LYS B 43 -0.362 9.854 -4.751 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.184 8.334 -3.543 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.580 7.418 -2.403 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.106 8.197 -1.211 1.00 0.00 C ATOM 1203 CE LYS B 43 -4.522 7.261 -0.099 1.00 0.00 C ATOM 1204 NZ LYS B 43 -3.352 6.574 0.515 1.00 0.00 N1+ ATOM 0 H LYS B 43 -2.900 10.839 -4.345 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.853 9.212 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.061 8.890 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.854 7.729 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.343 6.719 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.718 6.824 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.337 8.880 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -4.956 8.807 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.057 7.822 0.667 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.215 6.517 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -3.684 5.789 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -2.735 6.202 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.819 7.250 1.098 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.268 7.848 -3.745 1.00 0.00 N ATOM 1219 CA ARG B 44 0.904 7.397 -4.464 1.00 0.00 C ATOM 1220 C ARG B 44 1.021 5.876 -4.341 1.00 0.00 C ATOM 1221 O ARG B 44 1.119 5.344 -3.236 1.00 0.00 O ATOM 1222 CB ARG B 44 2.133 8.122 -3.909 1.00 0.00 C ATOM 1223 CG ARG B 44 3.446 7.704 -4.541 1.00 0.00 C ATOM 1224 CD ARG B 44 4.534 8.735 -4.287 1.00 0.00 C ATOM 1225 NE ARG B 44 4.237 10.011 -4.940 1.00 0.00 N ATOM 1226 CZ ARG B 44 5.164 10.864 -5.378 1.00 0.00 C ATOM 1227 NH1 ARG B 44 6.455 10.598 -5.221 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.796 11.988 -5.975 1.00 0.00 N ATOM 0 H ARG B 44 -0.615 7.182 -3.055 1.00 0.00 H new ATOM 0 HA ARG B 44 0.826 7.633 -5.525 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.001 9.195 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.189 7.946 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.755 6.739 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.310 7.573 -5.614 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.642 8.892 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.488 8.354 -4.651 1.00 0.00 H new ATOM 0 HE ARG B 44 3.257 10.264 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.746 9.735 -4.762 1.00 0.00 H new ATOM 0 HH12 ARG B 44 7.156 11.257 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.806 12.199 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.503 12.642 -6.311 1.00 0.00 H new ATOM 1242 N ARG B 45 0.970 5.159 -5.456 1.00 0.00 N ATOM 1243 CA ARG B 45 0.986 3.703 -5.388 1.00 0.00 C ATOM 1244 C ARG B 45 2.399 3.192 -5.109 1.00 0.00 C ATOM 1245 O ARG B 45 3.219 3.088 -6.019 1.00 0.00 O ATOM 1246 CB ARG B 45 0.447 3.091 -6.684 1.00 0.00 C ATOM 1247 CG ARG B 45 0.132 1.612 -6.561 1.00 0.00 C ATOM 1248 CD ARG B 45 -0.180 0.979 -7.905 1.00 0.00 C ATOM 1249 NE ARG B 45 1.028 0.762 -8.699 1.00 0.00 N ATOM 1250 CZ ARG B 45 1.090 -0.052 -9.752 1.00 0.00 C ATOM 1251 NH1 ARG B 45 0.016 -0.721 -10.150 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 2.232 -0.194 -10.411 1.00 0.00 N ATOM 0 H ARG B 45 0.918 5.549 -6.397 1.00 0.00 H new ATOM 0 HA ARG B 45 0.337 3.397 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.456 3.624 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.179 3.235 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG B 45 0.979 1.098 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.718 1.478 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.688 0.027 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.867 1.620 -8.457 1.00 0.00 H new ATOM 0 HE ARG B 45 1.874 1.264 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.866 -0.614 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG B 45 0.072 -1.342 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG B 45 3.061 0.319 -10.111 1.00 0.00 H new ATOM 0 HH22 ARG B 45 2.281 -0.817 -11.217 1.00 0.00 H new ATOM 1266 N LEU B 46 2.668 2.878 -3.846 1.00 0.00 N ATOM 1267 CA LEU B 46 3.988 2.418 -3.421 1.00 0.00 C ATOM 1268 C LEU B 46 4.196 0.960 -3.799 1.00 0.00 C ATOM 1269 O LEU B 46 3.564 0.070 -3.231 1.00 0.00 O ATOM 1270 CB LEU B 46 4.147 2.572 -1.902 1.00 0.00 C ATOM 1271 CG LEU B 46 5.517 2.171 -1.337 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.544 3.267 -1.566 1.00 0.00 C ATOM 1273 CD2 LEU B 46 5.415 1.830 0.142 1.00 0.00 C ATOM 0 H LEU B 46 1.983 2.934 -3.092 1.00 0.00 H new ATOM 0 HA LEU B 46 4.734 3.030 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU B 46 3.955 3.612 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.381 1.971 -1.411 1.00 0.00 H new ATOM 0 HG LEU B 46 5.850 1.280 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.505 2.957 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.648 3.451 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.217 4.181 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU B 46 6.398 1.549 0.519 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.050 2.698 0.691 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.723 0.998 0.277 1.00 0.00 H new ATOM 1285 N VAL B 47 5.070 0.720 -4.762 1.00 0.00 N ATOM 1286 CA VAL B 47 5.419 -0.637 -5.141 1.00 0.00 C ATOM 1287 C VAL B 47 6.934 -0.837 -5.066 1.00 0.00 C ATOM 1288 O VAL B 47 7.692 -0.325 -5.897 1.00 0.00 O ATOM 1289 CB VAL B 47 4.882 -1.010 -6.552 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.362 -1.079 -6.545 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.340 -0.022 -7.611 1.00 0.00 C ATOM 0 H VAL B 47 5.550 1.446 -5.294 1.00 0.00 H new ATOM 0 HA VAL B 47 4.938 -1.309 -4.430 1.00 0.00 H new ATOM 0 HB VAL B 47 5.290 -1.990 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL B 47 3.005 -1.341 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.035 -1.836 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.955 -0.110 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.943 -0.319 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.977 0.975 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.429 -0.012 -7.652 1.00 0.00 H new ATOM 1301 N ILE B 48 7.381 -1.550 -4.040 1.00 0.00 N ATOM 1302 CA ILE B 48 8.803 -1.799 -3.855 1.00 0.00 C ATOM 1303 C ILE B 48 9.195 -3.092 -4.544 1.00 0.00 C ATOM 1304 O ILE B 48 8.677 -4.155 -4.216 1.00 0.00 O ATOM 1305 CB ILE B 48 9.198 -1.886 -2.363 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.678 -0.664 -1.601 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.720 -1.991 -2.230 1.00 0.00 C ATOM 1308 CD1 ILE B 48 8.893 -0.742 -0.105 1.00 0.00 C ATOM 0 H ILE B 48 6.781 -1.964 -3.326 1.00 0.00 H new ATOM 0 HA ILE B 48 9.333 -0.954 -4.294 1.00 0.00 H new ATOM 0 HB ILE B 48 8.745 -2.778 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.172 0.229 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.613 -0.549 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE B 48 10.990 -2.052 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.070 -2.885 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.186 -1.111 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.499 0.158 0.367 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.376 -1.615 0.292 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.959 -0.825 0.105 1.00 0.00 H new ATOM 1320 N THR B 49 10.096 -2.992 -5.506 1.00 0.00 N ATOM 1321 CA THR B 49 10.548 -4.149 -6.258 1.00 0.00 C ATOM 1322 C THR B 49 11.806 -4.744 -5.613 1.00 0.00 C ATOM 1323 O THR B 49 12.910 -4.237 -5.809 1.00 0.00 O ATOM 1324 CB THR B 49 10.826 -3.765 -7.730 1.00 0.00 C ATOM 1325 OG1 THR B 49 9.656 -3.149 -8.297 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.202 -4.990 -8.552 1.00 0.00 C ATOM 0 H THR B 49 10.532 -2.113 -5.786 1.00 0.00 H new ATOM 0 HA THR B 49 9.760 -4.901 -6.243 1.00 0.00 H new ATOM 0 HB THR B 49 11.662 -3.065 -7.750 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.834 -2.905 -9.229 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.392 -4.692 -9.583 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.100 -5.447 -8.135 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.384 -5.710 -8.528 1.00 0.00 H new ATOM 1334 N PRO B 50 11.642 -5.817 -4.817 1.00 0.00 N ATOM 1335 CA PRO B 50 12.743 -6.424 -4.056 1.00 0.00 C ATOM 1336 C PRO B 50 13.824 -7.040 -4.940 1.00 0.00 C ATOM 1337 O PRO B 50 13.533 -7.680 -5.954 1.00 0.00 O ATOM 1338 CB PRO B 50 12.062 -7.514 -3.226 1.00 0.00 C ATOM 1339 CG PRO B 50 10.788 -7.809 -3.937 1.00 0.00 C ATOM 1340 CD PRO B 50 10.368 -6.525 -4.594 1.00 0.00 C ATOM 0 HA PRO B 50 13.263 -5.672 -3.463 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.688 -8.403 -3.155 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.875 -7.174 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.929 -8.597 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.025 -8.158 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.841 -6.707 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.696 -5.950 -3.957 1.00 0.00 H new ATOM 1348 N VAL B 51 15.073 -6.838 -4.545 1.00 0.00 N ATOM 1349 CA VAL B 51 16.206 -7.381 -5.282 1.00 0.00 C ATOM 1350 C VAL B 51 17.009 -8.352 -4.421 1.00 0.00 C ATOM 1351 O VAL B 51 17.875 -9.068 -4.920 1.00 0.00 O ATOM 1352 CB VAL B 51 17.141 -6.264 -5.779 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.381 -5.291 -6.663 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.791 -5.542 -4.607 1.00 0.00 C ATOM 0 H VAL B 51 15.328 -6.301 -3.716 1.00 0.00 H new ATOM 0 HA VAL B 51 15.797 -7.913 -6.141 1.00 0.00 H new ATOM 0 HB VAL B 51 17.934 -6.717 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL B 51 17.056 -4.507 -7.006 1.00 0.00 H new ATOM 0 HG12 VAL B 51 15.975 -5.822 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.565 -4.844 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.447 -4.757 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL B 51 17.018 -5.099 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.373 -6.252 -4.020 1.00 0.00 H new ATOM 1364 N ASP B 52 16.721 -8.363 -3.123 1.00 0.00 N ATOM 1365 CA ASP B 52 17.436 -9.226 -2.189 1.00 0.00 C ATOM 1366 C ASP B 52 16.593 -10.443 -1.831 1.00 0.00 C ATOM 1367 O ASP B 52 16.960 -11.575 -2.141 1.00 0.00 O ATOM 1368 CB ASP B 52 17.818 -8.450 -0.924 1.00 0.00 C ATOM 1369 CG ASP B 52 18.375 -9.349 0.167 1.00 0.00 C ATOM 1370 OD1 ASP B 52 19.569 -9.709 0.103 1.00 0.00 O1- ATOM 1371 OD2 ASP B 52 17.620 -9.699 1.097 1.00 0.00 O ATOM 0 H ASP B 52 15.998 -7.785 -2.695 1.00 0.00 H new ATOM 0 HA ASP B 52 18.350 -9.570 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP B 52 18.558 -7.691 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP B 52 16.941 -7.926 -0.545 1.00 0.00 H new ATOM 1376 N GLY B 53 15.464 -10.204 -1.183 1.00 0.00 N ATOM 1377 CA GLY B 53 14.548 -11.281 -0.872 1.00 0.00 C ATOM 1378 C GLY B 53 13.306 -11.201 -1.728 1.00 0.00 C ATOM 1379 O GLY B 53 12.741 -10.123 -1.892 1.00 0.00 O ATOM 0 H GLY B 53 15.165 -9.282 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.042 -12.240 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.271 -11.235 0.181 1.00 0.00 H new ATOM 1383 N SER B 54 12.880 -12.329 -2.277 1.00 0.00 N ATOM 1384 CA SER B 54 11.730 -12.355 -3.172 1.00 0.00 C ATOM 1385 C SER B 54 10.416 -12.280 -2.395 1.00 0.00 C ATOM 1386 O SER B 54 9.616 -13.219 -2.393 1.00 0.00 O ATOM 1387 CB SER B 54 11.777 -13.605 -4.037 1.00 0.00 C ATOM 1388 OG SER B 54 12.976 -13.644 -4.795 1.00 0.00 O ATOM 0 H SER B 54 13.313 -13.239 -2.119 1.00 0.00 H new ATOM 0 HA SER B 54 11.776 -11.477 -3.816 1.00 0.00 H new ATOM 0 HB2 SER B 54 11.710 -14.492 -3.407 1.00 0.00 H new ATOM 0 HB3 SER B 54 10.917 -13.623 -4.706 1.00 0.00 H new ATOM 0 HG SER B 54 12.990 -14.456 -5.344 1.00 0.00 H new ATOM 1394 N ASP B 55 10.205 -11.154 -1.732 1.00 0.00 N ATOM 1395 CA ASP B 55 8.993 -10.924 -0.967 1.00 0.00 C ATOM 1396 C ASP B 55 8.456 -9.529 -1.244 1.00 0.00 C ATOM 1397 O ASP B 55 8.802 -8.580 -0.544 1.00 0.00 O ATOM 1398 CB ASP B 55 9.274 -11.078 0.522 1.00 0.00 C ATOM 1399 CG ASP B 55 8.004 -11.182 1.341 1.00 0.00 C ATOM 1400 OD1 ASP B 55 7.157 -12.045 1.027 1.00 0.00 O1- ATOM 1401 OD2 ASP B 55 7.845 -10.406 2.305 1.00 0.00 O ATOM 0 H ASP B 55 10.867 -10.378 -1.710 1.00 0.00 H new ATOM 0 HA ASP B 55 8.248 -11.660 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP B 55 9.882 -11.968 0.684 1.00 0.00 H new ATOM 0 HB3 ASP B 55 9.858 -10.226 0.869 1.00 0.00 H new ATOM 1406 N PRO B 56 7.612 -9.391 -2.277 1.00 0.00 N ATOM 1407 CA PRO B 56 7.065 -8.094 -2.698 1.00 0.00 C ATOM 1408 C PRO B 56 6.341 -7.360 -1.572 1.00 0.00 C ATOM 1409 O PRO B 56 5.704 -7.981 -0.716 1.00 0.00 O ATOM 1410 CB PRO B 56 6.077 -8.467 -3.807 1.00 0.00 C ATOM 1411 CG PRO B 56 6.547 -9.785 -4.310 1.00 0.00 C ATOM 1412 CD PRO B 56 7.119 -10.494 -3.119 1.00 0.00 C ATOM 0 HA PRO B 56 7.854 -7.412 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO B 56 5.059 -8.531 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO B 56 6.073 -7.720 -4.601 1.00 0.00 H new ATOM 0 HG2 PRO B 56 5.725 -10.353 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.298 -9.661 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.365 -11.088 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO B 56 7.922 -11.174 -3.402 1.00 0.00 H new ATOM 1420 N TYR B 57 6.452 -6.038 -1.578 1.00 0.00 N ATOM 1421 CA TYR B 57 5.768 -5.206 -0.604 1.00 0.00 C ATOM 1422 C TYR B 57 5.182 -3.986 -1.297 1.00 0.00 C ATOM 1423 O TYR B 57 5.910 -3.087 -1.731 1.00 0.00 O ATOM 1424 CB TYR B 57 6.717 -4.763 0.509 1.00 0.00 C ATOM 1425 CG TYR B 57 6.002 -4.215 1.726 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.513 -5.073 2.705 1.00 0.00 C ATOM 1427 CD2 TYR B 57 5.809 -2.849 1.896 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.855 -4.587 3.817 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.151 -2.355 3.010 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.676 -3.229 3.966 1.00 0.00 C ATOM 1431 OH TYR B 57 4.024 -2.746 5.080 1.00 0.00 O ATOM 0 H TYR B 57 7.014 -5.519 -2.253 1.00 0.00 H new ATOM 0 HA TYR B 57 4.968 -5.794 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.333 -5.610 0.810 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.392 -4.001 0.119 1.00 0.00 H new ATOM 0 HD1 TYR B 57 5.650 -6.138 2.593 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.178 -2.163 1.148 1.00 0.00 H new ATOM 0 HE1 TYR B 57 4.482 -5.269 4.567 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.010 -1.291 3.130 1.00 0.00 H new ATOM 0 HH TYR B 57 4.369 -1.856 5.300 1.00 0.00 H new ATOM 1441 N GLU B 58 3.867 -3.964 -1.393 1.00 0.00 N ATOM 1442 CA GLU B 58 3.159 -2.890 -2.058 1.00 0.00 C ATOM 1443 C GLU B 58 2.065 -2.342 -1.145 1.00 0.00 C ATOM 1444 O GLU B 58 1.466 -3.091 -0.373 1.00 0.00 O ATOM 1445 CB GLU B 58 2.527 -3.388 -3.365 1.00 0.00 C ATOM 1446 CG GLU B 58 3.519 -3.839 -4.435 1.00 0.00 C ATOM 1447 CD GLU B 58 4.046 -5.247 -4.238 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.242 -6.202 -4.260 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 5.273 -5.405 -4.084 1.00 0.00 O ATOM 0 H GLU B 58 3.260 -4.690 -1.012 1.00 0.00 H new ATOM 0 HA GLU B 58 3.874 -2.100 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.862 -4.220 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.909 -2.591 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU B 58 3.038 -3.776 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.361 -3.146 -4.450 1.00 0.00 H new ATOM 1456 N GLU B 59 1.809 -1.040 -1.224 1.00 0.00 N ATOM 1457 CA GLU B 59 0.718 -0.437 -0.466 1.00 0.00 C ATOM 1458 C GLU B 59 0.301 0.898 -1.074 1.00 0.00 C ATOM 1459 O GLU B 59 0.987 1.458 -1.932 1.00 0.00 O ATOM 1460 CB GLU B 59 1.092 -0.243 1.010 1.00 0.00 C ATOM 1461 CG GLU B 59 2.061 0.899 1.269 1.00 0.00 C ATOM 1462 CD GLU B 59 2.182 1.231 2.742 1.00 0.00 C ATOM 1463 OE1 GLU B 59 1.378 2.048 3.244 1.00 0.00 O ATOM 1464 OE2 GLU B 59 3.070 0.670 3.415 1.00 0.00 O1- ATOM 0 H GLU B 59 2.338 -0.386 -1.801 1.00 0.00 H new ATOM 0 HA GLU B 59 -0.124 -1.127 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.181 -0.067 1.583 1.00 0.00 H new ATOM 0 HB3 GLU B 59 1.531 -1.168 1.385 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.043 0.634 0.877 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.729 1.784 0.726 1.00 0.00 H new ATOM 1471 N MET B 60 -0.840 1.389 -0.623 1.00 0.00 N ATOM 1472 CA MET B 60 -1.405 2.641 -1.102 1.00 0.00 C ATOM 1473 C MET B 60 -0.904 3.799 -0.243 1.00 0.00 C ATOM 1474 O MET B 60 -1.637 4.342 0.590 1.00 0.00 O ATOM 1475 CB MET B 60 -2.941 2.539 -1.081 1.00 0.00 C ATOM 1476 CG MET B 60 -3.686 3.840 -1.337 1.00 0.00 C ATOM 1477 SD MET B 60 -5.443 3.580 -1.635 1.00 0.00 S ATOM 1478 CE MET B 60 -5.923 2.678 -0.164 1.00 0.00 C ATOM 0 H MET B 60 -1.405 0.928 0.090 1.00 0.00 H new ATOM 0 HA MET B 60 -1.087 2.831 -2.127 1.00 0.00 H new ATOM 0 HB2 MET B 60 -3.250 1.810 -1.830 1.00 0.00 H new ATOM 0 HB3 MET B 60 -3.249 2.149 -0.111 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.560 4.502 -0.480 1.00 0.00 H new ATOM 0 HG3 MET B 60 -3.245 4.344 -2.197 1.00 0.00 H new ATOM 0 HE1 MET B 60 -7.009 2.587 -0.131 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.476 1.684 -0.185 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.576 3.213 0.720 1.00 0.00 H new ATOM 1488 N ILE B 61 0.348 4.176 -0.458 1.00 0.00 N ATOM 1489 CA ILE B 61 0.980 5.198 0.354 1.00 0.00 C ATOM 1490 C ILE B 61 0.475 6.575 -0.086 1.00 0.00 C ATOM 1491 O ILE B 61 0.156 6.783 -1.253 1.00 0.00 O ATOM 1492 CB ILE B 61 2.532 5.109 0.265 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.182 5.693 1.522 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.059 5.825 -0.973 1.00 0.00 C ATOM 1495 CD1 ILE B 61 4.682 5.491 1.585 1.00 0.00 C ATOM 0 H ILE B 61 0.944 3.788 -1.189 1.00 0.00 H new ATOM 0 HA ILE B 61 0.713 5.039 1.399 1.00 0.00 H new ATOM 0 HB ILE B 61 2.795 4.054 0.188 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.966 6.760 1.569 1.00 0.00 H new ATOM 0 HG13 ILE B 61 2.726 5.237 2.401 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.146 5.744 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.634 5.367 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.774 6.876 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE B 61 5.070 5.931 2.503 1.00 0.00 H new ATOM 0 HD12 ILE B 61 4.906 4.424 1.571 1.00 0.00 H new ATOM 0 HD13 ILE B 61 5.150 5.972 0.726 1.00 0.00 H new ATOM 1507 N PRO B 62 0.293 7.510 0.843 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.133 8.863 0.512 1.00 0.00 C ATOM 1509 C PRO B 62 1.017 9.767 0.090 1.00 0.00 C ATOM 1510 O PRO B 62 2.178 9.522 0.410 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.749 9.371 1.819 1.00 0.00 C ATOM 1512 CG PRO B 62 -0.636 8.252 2.809 1.00 0.00 C ATOM 1513 CD PRO B 62 0.423 7.332 2.289 1.00 0.00 C ATOM 0 HA PRO B 62 -0.816 8.867 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.225 10.258 2.175 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -1.791 9.654 1.672 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -0.370 8.632 3.795 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.587 7.729 2.914 1.00 0.00 H new ATOM 0 HD2 PRO B 62 1.415 7.607 2.647 1.00 0.00 H new ATOM 0 HD3 PRO B 62 0.251 6.299 2.591 1.00 0.00 H new ATOM 1521 N LYS B 63 0.662 10.823 -0.626 1.00 0.00 N ATOM 1522 CA LYS B 63 1.621 11.799 -1.112 1.00 0.00 C ATOM 1523 C LYS B 63 1.941 12.805 -0.009 1.00 0.00 C ATOM 1524 O LYS B 63 2.959 13.494 -0.049 1.00 0.00 O ATOM 1525 CB LYS B 63 1.034 12.507 -2.334 1.00 0.00 C ATOM 1526 CG LYS B 63 2.003 12.659 -3.495 1.00 0.00 C ATOM 1527 CD LYS B 63 3.137 13.624 -3.181 1.00 0.00 C ATOM 1528 CE LYS B 63 2.650 15.063 -3.091 1.00 0.00 C ATOM 1529 NZ LYS B 63 2.134 15.559 -4.395 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.303 11.026 -0.886 1.00 0.00 H new ATOM 0 HA LYS B 63 2.547 11.300 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.160 11.952 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.687 13.496 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS B 63 2.419 11.684 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.462 13.012 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.605 13.340 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS B 63 3.903 13.548 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.864 15.133 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS B 63 3.468 15.702 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.052 16.595 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.790 15.286 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.199 15.143 -4.579 1.00 0.00 H new ATOM 1543 N TRP B 64 1.053 12.874 0.977 1.00 0.00 N ATOM 1544 CA TRP B 64 1.254 13.731 2.143 1.00 0.00 C ATOM 1545 C TRP B 64 2.057 12.983 3.202 1.00 0.00 C ATOM 1546 O TRP B 64 2.371 13.513 4.264 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.088 14.222 2.716 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.274 13.451 2.217 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.938 13.651 1.041 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -1.939 12.365 2.873 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.960 12.747 0.918 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -2.984 11.947 2.026 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.748 11.698 4.088 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.832 10.894 2.351 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.593 10.652 4.411 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.621 10.258 3.543 1.00 0.00 C ATOM 0 H TRP B 64 0.182 12.344 0.993 1.00 0.00 H new ATOM 0 HA TRP B 64 1.815 14.612 1.831 1.00 0.00 H new ATOM 0 HB2 TRP B 64 -0.054 14.157 3.804 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.218 15.274 2.464 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.693 14.411 0.314 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.600 12.681 0.127 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -0.956 11.994 4.760 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.627 10.590 1.687 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -2.459 10.130 5.347 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.261 9.434 3.822 1.00 0.00 H new ATOM 1567 N ARG B 65 2.385 11.740 2.885 1.00 0.00 N ATOM 1568 CA ARG B 65 3.287 10.941 3.697 1.00 0.00 C ATOM 1569 C ARG B 65 4.721 11.345 3.398 1.00 0.00 C ATOM 1570 O ARG B 65 5.046 11.693 2.260 1.00 0.00 O ATOM 1571 CB ARG B 65 3.087 9.454 3.369 1.00 0.00 C ATOM 1572 CG ARG B 65 4.217 8.544 3.837 1.00 0.00 C ATOM 1573 CD ARG B 65 4.073 8.138 5.296 1.00 0.00 C ATOM 1574 NE ARG B 65 2.965 7.203 5.494 1.00 0.00 N ATOM 1575 CZ ARG B 65 3.102 5.873 5.504 1.00 0.00 C ATOM 1576 NH1 ARG B 65 4.298 5.318 5.342 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 2.042 5.095 5.686 1.00 0.00 N ATOM 0 H ARG B 65 2.033 11.258 2.058 1.00 0.00 H new ATOM 0 HA ARG B 65 3.077 11.107 4.754 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.155 9.117 3.823 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.973 9.345 2.290 1.00 0.00 H new ATOM 0 HG2 ARG B 65 4.240 7.649 3.215 1.00 0.00 H new ATOM 0 HG3 ARG B 65 5.171 9.053 3.698 1.00 0.00 H new ATOM 0 HD2 ARG B 65 5.001 7.680 5.639 1.00 0.00 H new ATOM 0 HD3 ARG B 65 3.912 9.027 5.906 1.00 0.00 H new ATOM 0 HE ARG B 65 2.031 7.589 5.633 1.00 0.00 H new ATOM 0 HH11 ARG B 65 5.120 5.907 5.209 1.00 0.00 H new ATOM 0 HH12 ARG B 65 4.394 4.303 5.351 1.00 0.00 H new ATOM 0 HH21 ARG B 65 1.120 5.512 5.819 1.00 0.00 H new ATOM 0 HH22 ARG B 65 2.149 4.081 5.693 1.00 0.00 H new ATOM 1591 N GLN B 66 5.568 11.331 4.413 1.00 0.00 N ATOM 1592 CA GLN B 66 6.990 11.491 4.193 1.00 0.00 C ATOM 1593 C GLN B 66 7.511 10.244 3.490 1.00 0.00 C ATOM 1594 O GLN B 66 7.555 9.158 4.072 1.00 0.00 O ATOM 1595 CB GLN B 66 7.723 11.723 5.516 1.00 0.00 C ATOM 1596 CG GLN B 66 9.229 11.897 5.369 1.00 0.00 C ATOM 1597 CD GLN B 66 9.616 13.140 4.586 1.00 0.00 C ATOM 1598 OE1 GLN B 66 8.894 13.585 3.694 1.00 0.00 O ATOM 1599 NE2 GLN B 66 10.758 13.711 4.920 1.00 0.00 N ATOM 0 H GLN B 66 5.296 11.211 5.389 1.00 0.00 H new ATOM 0 HA GLN B 66 7.171 12.366 3.568 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.311 12.610 5.997 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.528 10.881 6.180 1.00 0.00 H new ATOM 0 HG2 GLN B 66 9.681 11.945 6.360 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.643 11.019 4.872 1.00 0.00 H new ATOM 0 HE21 GLN B 66 11.329 13.312 5.665 1.00 0.00 H new ATOM 0 HE22 GLN B 66 11.070 14.551 4.433 1.00 0.00 H new ATOM 1608 N LEU B 67 7.858 10.401 2.225 1.00 0.00 N ATOM 1609 CA LEU B 67 8.226 9.277 1.384 1.00 0.00 C ATOM 1610 C LEU B 67 9.690 8.920 1.565 1.00 0.00 C ATOM 1611 O LEU B 67 10.496 9.748 1.995 1.00 0.00 O ATOM 1612 CB LEU B 67 7.933 9.612 -0.079 1.00 0.00 C ATOM 1613 CG LEU B 67 6.457 9.873 -0.389 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.304 10.536 -1.746 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.665 8.575 -0.344 1.00 0.00 C ATOM 0 H LEU B 67 7.893 11.305 1.754 1.00 0.00 H new ATOM 0 HA LEU B 67 7.633 8.411 1.679 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.511 10.493 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.282 8.790 -0.703 1.00 0.00 H new ATOM 0 HG LEU B 67 6.063 10.547 0.371 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.247 10.713 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.838 11.486 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.716 9.886 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.618 8.780 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.064 7.880 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU B 67 5.745 8.134 0.650 1.00 0.00 H new ATOM 1627 N ASN B 68 10.029 7.683 1.234 1.00 0.00 N ATOM 1628 CA ASN B 68 11.390 7.202 1.396 1.00 0.00 C ATOM 1629 C ASN B 68 12.294 7.761 0.302 1.00 0.00 C ATOM 1630 O ASN B 68 13.381 8.259 0.586 1.00 0.00 O ATOM 1631 CB ASN B 68 11.429 5.661 1.428 1.00 0.00 C ATOM 1632 CG ASN B 68 10.478 5.001 0.440 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.199 5.526 -0.635 1.00 0.00 O ATOM 1634 ND2 ASN B 68 9.951 3.844 0.814 1.00 0.00 N ATOM 0 H ASN B 68 9.380 6.995 0.852 1.00 0.00 H new ATOM 0 HA ASN B 68 11.768 7.560 2.354 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.445 5.328 1.217 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.185 5.322 2.435 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.292 3.362 0.202 1.00 0.00 H new ATOM 0 HD22 ASN B 68 10.204 3.435 1.714 1.00 0.00 H new ATOM 1641 N VAL B 69 11.834 7.708 -0.935 1.00 0.00 N ATOM 1642 CA VAL B 69 12.602 8.220 -2.057 1.00 0.00 C ATOM 1643 C VAL B 69 11.703 8.287 -3.298 1.00 0.00 C ATOM 1644 O VAL B 69 10.509 7.998 -3.208 1.00 0.00 O ATOM 1645 CB VAL B 69 13.850 7.333 -2.303 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.449 5.995 -2.891 1.00 0.00 C ATOM 1647 CG2 VAL B 69 14.888 8.029 -3.173 1.00 0.00 C ATOM 0 H VAL B 69 10.928 7.314 -1.189 1.00 0.00 H new ATOM 0 HA VAL B 69 12.956 9.226 -1.834 1.00 0.00 H new ATOM 0 HB VAL B 69 14.319 7.156 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.340 5.388 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL B 69 12.781 5.480 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL B 69 12.937 6.153 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL B 69 15.743 7.369 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.449 8.271 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.216 8.946 -2.684 1.00 0.00 H new ATOM 1657 N PHE B 70 12.254 8.692 -4.433 1.00 0.00 N ATOM 1658 CA PHE B 70 11.493 8.772 -5.675 1.00 0.00 C ATOM 1659 C PHE B 70 11.336 7.388 -6.307 1.00 0.00 C ATOM 1660 O PHE B 70 11.853 6.398 -5.792 1.00 0.00 O ATOM 1661 CB PHE B 70 12.184 9.731 -6.646 1.00 0.00 C ATOM 1662 CG PHE B 70 12.340 11.120 -6.095 1.00 0.00 C ATOM 1663 CD1 PHE B 70 11.314 12.046 -6.208 1.00 0.00 C ATOM 1664 CD2 PHE B 70 13.512 11.501 -5.459 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.454 13.322 -5.697 1.00 0.00 C ATOM 1666 CE2 PHE B 70 13.657 12.776 -4.948 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.627 13.689 -5.067 1.00 0.00 C ATOM 0 H PHE B 70 13.231 8.972 -4.521 1.00 0.00 H new ATOM 0 HA PHE B 70 10.497 9.153 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.167 9.335 -6.900 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.610 9.777 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.395 11.767 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.321 10.792 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.646 14.033 -5.790 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.575 13.059 -4.455 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.739 14.687 -4.669 1.00 0.00 H new ATOM 1677 N GLU B 71 10.611 7.323 -7.415 1.00 0.00 N ATOM 1678 CA GLU B 71 10.342 6.052 -8.074 1.00 0.00 C ATOM 1679 C GLU B 71 11.520 5.596 -8.932 1.00 0.00 C ATOM 1680 O GLU B 71 12.242 6.411 -9.510 1.00 0.00 O ATOM 1681 CB GLU B 71 9.078 6.150 -8.922 1.00 0.00 C ATOM 1682 CG GLU B 71 9.133 7.238 -9.986 1.00 0.00 C ATOM 1683 CD GLU B 71 7.812 7.436 -10.699 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.573 6.760 -11.720 1.00 0.00 O ATOM 1685 OE2 GLU B 71 7.005 8.275 -10.251 1.00 0.00 O1- ATOM 0 H GLU B 71 10.199 8.134 -7.876 1.00 0.00 H new ATOM 0 HA GLU B 71 10.193 5.305 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU B 71 8.902 5.190 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.227 6.338 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.433 8.177 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU B 71 9.900 6.984 -10.718 1.00 0.00 H new ATOM 1692 N GLY B 72 11.703 4.282 -8.998 1.00 0.00 N ATOM 1693 CA GLY B 72 12.790 3.700 -9.758 1.00 0.00 C ATOM 1694 C GLY B 72 14.117 3.920 -9.072 1.00 0.00 C ATOM 1695 O GLY B 72 15.164 3.983 -9.715 1.00 0.00 O ATOM 0 H GLY B 72 11.106 3.601 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.617 2.631 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.816 4.140 -10.755 1.00 0.00 H new ATOM 1699 N GLU B 73 14.060 4.032 -7.754 1.00 0.00 N ATOM 1700 CA GLU B 73 15.234 4.316 -6.953 1.00 0.00 C ATOM 1701 C GLU B 73 15.619 3.107 -6.105 1.00 0.00 C ATOM 1702 O GLU B 73 14.758 2.385 -5.596 1.00 0.00 O ATOM 1703 CB GLU B 73 14.966 5.536 -6.076 1.00 0.00 C ATOM 1704 CG GLU B 73 14.916 6.846 -6.851 1.00 0.00 C ATOM 1705 CD GLU B 73 16.225 7.173 -7.537 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.149 7.677 -6.863 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.341 6.936 -8.755 1.00 0.00 O1- ATOM 0 H GLU B 73 13.201 3.929 -7.214 1.00 0.00 H new ATOM 0 HA GLU B 73 16.073 4.532 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.020 5.396 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.743 5.603 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.124 6.791 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.656 7.656 -6.170 1.00 0.00 H new ATOM 1714 N ARG B 74 16.918 2.896 -5.964 1.00 0.00 N ATOM 1715 CA ARG B 74 17.452 1.736 -5.262 1.00 0.00 C ATOM 1716 C ARG B 74 17.596 2.017 -3.771 1.00 0.00 C ATOM 1717 O ARG B 74 18.336 2.911 -3.359 1.00 0.00 O ATOM 1718 CB ARG B 74 18.795 1.355 -5.886 1.00 0.00 C ATOM 1719 CG ARG B 74 19.579 0.280 -5.149 1.00 0.00 C ATOM 1720 CD ARG B 74 18.925 -1.085 -5.272 1.00 0.00 C ATOM 1721 NE ARG B 74 19.872 -2.163 -4.982 1.00 0.00 N ATOM 1722 CZ ARG B 74 19.911 -2.848 -3.841 1.00 0.00 C ATOM 1723 NH1 ARG B 74 19.070 -2.555 -2.857 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 20.796 -3.823 -3.681 1.00 0.00 N ATOM 0 H ARG B 74 17.633 3.523 -6.332 1.00 0.00 H new ATOM 0 HA ARG B 74 16.759 0.901 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.618 1.016 -6.907 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.413 2.251 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.593 0.234 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.662 0.549 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG B 74 18.080 -1.148 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.528 -1.210 -6.279 1.00 0.00 H new ATOM 0 HE ARG B 74 20.549 -2.406 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG B 74 18.391 -1.803 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG B 74 19.103 -3.082 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.448 -4.049 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG B 74 20.825 -4.347 -2.806 1.00 0.00 H new ATOM 1738 N VAL B 75 16.878 1.247 -2.972 1.00 0.00 N ATOM 1739 CA VAL B 75 16.868 1.427 -1.524 1.00 0.00 C ATOM 1740 C VAL B 75 17.081 0.101 -0.804 1.00 0.00 C ATOM 1741 O VAL B 75 17.078 -0.964 -1.427 1.00 0.00 O ATOM 1742 CB VAL B 75 15.537 2.042 -1.044 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.371 3.454 -1.578 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.364 1.169 -1.463 1.00 0.00 C ATOM 0 H VAL B 75 16.288 0.483 -3.302 1.00 0.00 H new ATOM 0 HA VAL B 75 17.686 2.107 -1.286 1.00 0.00 H new ATOM 0 HB VAL B 75 15.558 2.092 0.045 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.426 3.867 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.193 4.076 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.375 3.434 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.434 1.618 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.343 1.085 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.474 0.177 -1.024 1.00 0.00 H new ATOM 1754 N GLU B 76 17.262 0.178 0.510 1.00 0.00 N ATOM 1755 CA GLU B 76 17.445 -1.003 1.342 1.00 0.00 C ATOM 1756 C GLU B 76 16.384 -1.014 2.438 1.00 0.00 C ATOM 1757 O GLU B 76 15.735 0.005 2.686 1.00 0.00 O ATOM 1758 CB GLU B 76 18.845 -1.000 1.963 1.00 0.00 C ATOM 1759 CG GLU B 76 19.277 -2.355 2.506 1.00 0.00 C ATOM 1760 CD GLU B 76 20.553 -2.282 3.317 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.588 -1.847 2.769 1.00 0.00 O ATOM 1762 OE2 GLU B 76 20.535 -2.677 4.504 1.00 0.00 O1- ATOM 0 H GLU B 76 17.286 1.058 1.026 1.00 0.00 H new ATOM 0 HA GLU B 76 17.342 -1.898 0.728 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.565 -0.673 1.213 1.00 0.00 H new ATOM 0 HB3 GLU B 76 18.873 -0.269 2.771 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.480 -2.763 3.127 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.419 -3.046 1.675 1.00 0.00 H new ATOM 1769 N ARG B 77 16.202 -2.163 3.078 1.00 0.00 N ATOM 1770 CA ARG B 77 15.231 -2.292 4.154 1.00 0.00 C ATOM 1771 C ARG B 77 15.611 -1.406 5.333 1.00 0.00 C ATOM 1772 O ARG B 77 16.640 -1.615 5.973 1.00 0.00 O ATOM 1773 CB ARG B 77 15.134 -3.743 4.619 1.00 0.00 C ATOM 1774 CG ARG B 77 14.199 -3.937 5.801 1.00 0.00 C ATOM 1775 CD ARG B 77 14.266 -5.355 6.333 1.00 0.00 C ATOM 1776 NE ARG B 77 13.392 -5.548 7.487 1.00 0.00 N ATOM 1777 CZ ARG B 77 13.539 -6.531 8.372 1.00 0.00 C ATOM 1778 NH1 ARG B 77 14.550 -7.382 8.262 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 12.680 -6.656 9.374 1.00 0.00 N ATOM 0 H ARG B 77 16.716 -3.019 2.869 1.00 0.00 H new ATOM 0 HA ARG B 77 14.262 -1.974 3.769 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.791 -4.361 3.789 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.129 -4.097 4.890 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.462 -3.237 6.594 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.177 -3.708 5.500 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.984 -6.052 5.544 1.00 0.00 H new ATOM 0 HD3 ARG B 77 15.293 -5.589 6.613 1.00 0.00 H new ATOM 0 HE ARG B 77 12.624 -4.891 7.623 1.00 0.00 H new ATOM 0 HH11 ARG B 77 15.218 -7.284 7.497 1.00 0.00 H new ATOM 0 HH12 ARG B 77 14.660 -8.134 8.942 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.906 -5.999 9.467 1.00 0.00 H new ATOM 0 HH22 ARG B 77 12.793 -7.410 10.052 1.00 0.00 H new ATOM 1793 N GLY B 78 14.787 -0.407 5.600 1.00 0.00 N ATOM 1794 CA GLY B 78 15.007 0.450 6.747 1.00 0.00 C ATOM 1795 C GLY B 78 15.940 1.607 6.452 1.00 0.00 C ATOM 1796 O GLY B 78 15.716 2.727 6.913 1.00 0.00 O ATOM 0 H GLY B 78 13.966 -0.172 5.042 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.049 0.841 7.090 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.420 -0.143 7.563 1.00 0.00 H new ATOM 1800 N ASP B 79 16.982 1.340 5.684 1.00 0.00 N ATOM 1801 CA ASP B 79 17.985 2.351 5.387 1.00 0.00 C ATOM 1802 C ASP B 79 17.569 3.215 4.207 1.00 0.00 C ATOM 1803 O ASP B 79 17.523 2.754 3.063 1.00 0.00 O ATOM 1804 CB ASP B 79 19.339 1.696 5.102 1.00 0.00 C ATOM 1805 CG ASP B 79 19.993 1.152 6.356 1.00 0.00 C ATOM 1806 OD1 ASP B 79 19.607 0.059 6.814 1.00 0.00 O ATOM 1807 OD2 ASP B 79 20.903 1.820 6.896 1.00 0.00 O1- ATOM 0 H ASP B 79 17.157 0.432 5.254 1.00 0.00 H new ATOM 0 HA ASP B 79 18.076 2.992 6.264 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.204 0.886 4.385 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.002 2.426 4.637 1.00 0.00 H new ATOM 1812 N VAL B 80 17.271 4.476 4.502 1.00 0.00 N ATOM 1813 CA VAL B 80 16.944 5.460 3.484 1.00 0.00 C ATOM 1814 C VAL B 80 16.741 6.848 4.112 1.00 0.00 C ATOM 1815 O VAL B 80 17.532 7.757 3.867 1.00 0.00 O ATOM 1816 CB VAL B 80 15.718 5.040 2.627 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.498 4.722 3.477 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.400 6.113 1.603 1.00 0.00 C ATOM 0 H VAL B 80 17.250 4.842 5.454 1.00 0.00 H new ATOM 0 HA VAL B 80 17.794 5.514 2.803 1.00 0.00 H new ATOM 0 HB VAL B 80 15.985 4.121 2.106 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.669 4.434 2.830 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.731 3.901 4.155 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.218 5.602 4.055 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.539 5.806 1.009 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.173 7.048 2.115 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.259 6.257 0.948 1.00 0.00 H new ATOM 1828 N ILE B 81 15.707 7.014 4.936 1.00 0.00 N ATOM 1829 CA ILE B 81 15.460 8.299 5.587 1.00 0.00 C ATOM 1830 C ILE B 81 15.470 8.151 7.104 1.00 0.00 C ATOM 1831 O ILE B 81 16.191 8.861 7.805 1.00 0.00 O ATOM 1832 CB ILE B 81 14.107 8.918 5.158 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.066 9.163 3.647 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.847 10.216 5.912 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.183 10.054 3.136 1.00 0.00 C ATOM 0 H ILE B 81 15.034 6.283 5.167 1.00 0.00 H new ATOM 0 HA ILE B 81 16.265 8.964 5.273 1.00 0.00 H new ATOM 0 HB ILE B 81 13.320 8.206 5.408 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.116 8.204 3.132 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.108 9.614 3.388 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.892 10.635 5.596 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.819 10.015 6.983 1.00 0.00 H new ATOM 0 HG23 ILE B 81 14.644 10.928 5.697 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.084 10.179 2.058 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.122 11.028 3.621 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.146 9.596 3.361 1.00 0.00 H new ATOM 1847 N SER B 82 14.684 7.206 7.601 1.00 0.00 N ATOM 1848 CA SER B 82 14.583 6.968 9.029 1.00 0.00 C ATOM 1849 C SER B 82 14.117 5.549 9.284 1.00 0.00 C ATOM 1850 O SER B 82 13.042 5.143 8.837 1.00 0.00 O ATOM 1851 CB SER B 82 13.616 7.967 9.670 1.00 0.00 C ATOM 1852 OG SER B 82 13.647 7.883 11.086 1.00 0.00 O ATOM 0 H SER B 82 14.105 6.590 7.030 1.00 0.00 H new ATOM 0 HA SER B 82 15.567 7.104 9.478 1.00 0.00 H new ATOM 0 HB2 SER B 82 13.876 8.979 9.358 1.00 0.00 H new ATOM 0 HB3 SER B 82 12.604 7.775 9.315 1.00 0.00 H new ATOM 0 HG SER B 82 13.021 8.534 11.466 1.00 0.00 H new ATOM 1858 N ASP B 83 14.934 4.797 9.996 1.00 0.00 N ATOM 1859 CA ASP B 83 14.620 3.417 10.297 1.00 0.00 C ATOM 1860 C ASP B 83 14.025 3.306 11.689 1.00 0.00 C ATOM 1861 O ASP B 83 14.387 4.054 12.600 1.00 0.00 O ATOM 1862 CB ASP B 83 15.861 2.528 10.176 1.00 0.00 C ATOM 1863 CG ASP B 83 16.857 2.745 11.294 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.600 3.749 11.250 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 16.911 1.903 12.215 1.00 0.00 O ATOM 0 H ASP B 83 15.823 5.122 10.377 1.00 0.00 H new ATOM 0 HA ASP B 83 13.886 3.070 9.569 1.00 0.00 H new ATOM 0 HB2 ASP B 83 15.553 1.483 10.170 1.00 0.00 H new ATOM 0 HB3 ASP B 83 16.348 2.722 9.220 1.00 0.00 H new ATOM 1870 N GLY B 84 13.094 2.391 11.832 1.00 0.00 N ATOM 1871 CA GLY B 84 12.445 2.173 13.102 1.00 0.00 C ATOM 1872 C GLY B 84 11.404 1.088 12.998 1.00 0.00 C ATOM 1873 O GLY B 84 10.861 0.898 11.892 1.00 0.00 O ATOM 1874 OXT GLY B 84 11.123 0.420 14.009 1.00 0.00 O ATOM 0 H GLY B 84 12.769 1.784 11.080 1.00 0.00 H new ATOM 0 HA2 GLY B 84 13.187 1.899 13.851 1.00 0.00 H new ATOM 0 HA3 GLY B 84 11.978 3.098 13.439 1.00 0.00 H new TER 1878 GLY B 84