USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 93:sc= -3.46! USER MOD Set 1.2: A 110 SER OG : rot 112:sc= -1.14! USER MOD Set 2.1: A 35 LYS NZ :NH3+ -176:sc= -7.87! (180deg=-8.31!) USER MOD Set 2.2: A 109 TYR OH : rot -7:sc= -1.48 USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -2.43 F(o=-13!,f=-8.3) USER MOD Set 3.2: A 98 HIS :FLIP no HD1:sc= -7.07! C(o=-8.5!,f=-8.3!) USER MOD Set 3.3: A 106 TYR OH : rot 57:sc= 1.17 USER MOD Set 4.1: A 1 MET CE :methyl -123:sc= -0.146 (180deg=-0.763) USER MOD Set 4.2: A 7 SER OG : rot 175:sc= 0 USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.253 (180deg=-1.26!) USER MOD Single : A 2 LYS NZ :NH3+ 137:sc= 0.25 (180deg=0) USER MOD Single : A 3 SER OG : rot 79:sc= 0.0375 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 44:sc= 0.963 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 120:sc= 0.619 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -114:sc= -0.0532 (180deg=-1.64!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -3.1 USER MOD Single : A 56 THR OG1 : rot -131:sc= -1.12 USER MOD Single : A 59 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0.0552 (180deg=0.0446) USER MOD Single : A 69 MET CE :methyl 160:sc= -0.105 (180deg=-0.84) USER MOD Single : A 74 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.89) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 5:sc= -1.02! USER MOD Single : A 91 MET CE :methyl -167:sc= -0.0029 (180deg=-0.212) USER MOD Single : A 92 SER OG : rot 170:sc= -0.209 USER MOD Single : A 95 TYR OH : rot 86:sc= 0.622 USER MOD Single : A 96 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.5) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.36! USER MOD Single : A 113 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.58) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.518 1.334 -0.098 1.00 22.02 N ATOM 2 CA MET A 1 1.259 1.135 -1.332 1.00 52.41 C ATOM 3 C MET A 1 2.731 0.831 -1.046 1.00 13.14 C ATOM 4 O MET A 1 3.276 1.280 -0.039 1.00 24.34 O ATOM 5 CB MET A 1 1.156 2.393 -2.197 1.00 45.30 C ATOM 6 CG MET A 1 -0.302 2.710 -2.534 1.00 70.54 C ATOM 7 SD MET A 1 -0.856 1.675 -3.879 1.00 63.23 S ATOM 8 CE MET A 1 0.033 2.425 -5.234 1.00 15.14 C ATOM 0 H1 MET A 1 -0.481 1.086 -0.249 1.00 22.02 H new ATOM 0 H2 MET A 1 0.916 0.728 0.648 1.00 22.02 H new ATOM 0 H3 MET A 1 0.588 2.330 0.192 1.00 22.02 H new ATOM 0 HA MET A 1 0.828 0.284 -1.859 1.00 52.41 H new ATOM 0 HB2 MET A 1 1.603 3.237 -1.672 1.00 45.30 H new ATOM 0 HB3 MET A 1 1.723 2.253 -3.117 1.00 45.30 H new ATOM 0 HG2 MET A 1 -0.930 2.549 -1.658 1.00 70.54 H new ATOM 0 HG3 MET A 1 -0.401 3.760 -2.808 1.00 70.54 H new ATOM 0 HE1 MET A 1 -0.673 2.741 -6.002 1.00 15.14 H new ATOM 0 HE2 MET A 1 0.586 3.291 -4.871 1.00 15.14 H new ATOM 0 HE3 MET A 1 0.729 1.701 -5.657 1.00 15.14 H new ATOM 18 N LYS A 2 3.331 0.071 -1.949 1.00 64.31 N ATOM 19 CA LYS A 2 4.729 -0.299 -1.806 1.00 4.10 C ATOM 20 C LYS A 2 5.606 0.779 -2.446 1.00 54.45 C ATOM 21 O LYS A 2 6.252 1.556 -1.745 1.00 43.14 O ATOM 22 CB LYS A 2 4.973 -1.702 -2.366 1.00 13.20 C ATOM 23 CG LYS A 2 4.131 -2.742 -1.624 1.00 24.15 C ATOM 24 CD LYS A 2 4.597 -4.161 -1.955 1.00 31.42 C ATOM 25 CE LYS A 2 3.694 -5.203 -1.291 1.00 24.31 C ATOM 26 NZ LYS A 2 4.355 -6.528 -1.278 1.00 14.10 N ATOM 0 H LYS A 2 2.875 -0.299 -2.783 1.00 64.31 H new ATOM 0 HA LYS A 2 5.003 -0.350 -0.752 1.00 4.10 H new ATOM 0 HB2 LYS A 2 4.728 -1.721 -3.428 1.00 13.20 H new ATOM 0 HB3 LYS A 2 6.030 -1.954 -2.278 1.00 13.20 H new ATOM 0 HG2 LYS A 2 4.202 -2.573 -0.549 1.00 24.15 H new ATOM 0 HG3 LYS A 2 3.082 -2.627 -1.896 1.00 24.15 H new ATOM 0 HD2 LYS A 2 4.593 -4.306 -3.035 1.00 31.42 H new ATOM 0 HD3 LYS A 2 5.625 -4.298 -1.619 1.00 31.42 H new ATOM 0 HE2 LYS A 2 3.462 -4.895 -0.271 1.00 24.31 H new ATOM 0 HE3 LYS A 2 2.747 -5.267 -1.827 1.00 24.31 H new ATOM 0 HZ1 LYS A 2 4.212 -6.978 -0.352 1.00 14.10 H new ATOM 0 HZ2 LYS A 2 3.945 -7.128 -2.022 1.00 14.10 H new ATOM 0 HZ3 LYS A 2 5.374 -6.410 -1.451 1.00 14.10 H new ATOM 39 N SER A 3 5.599 0.793 -3.771 1.00 74.43 N ATOM 40 CA SER A 3 6.385 1.763 -4.514 1.00 72.12 C ATOM 41 C SER A 3 5.462 2.668 -5.333 1.00 33.32 C ATOM 42 O SER A 3 4.808 2.210 -6.268 1.00 74.34 O ATOM 43 CB SER A 3 7.395 1.068 -5.429 1.00 42.33 C ATOM 44 OG SER A 3 7.800 1.905 -6.510 1.00 22.24 O ATOM 0 H SER A 3 5.061 0.148 -4.349 1.00 74.43 H new ATOM 0 HA SER A 3 6.940 2.372 -3.800 1.00 72.12 H new ATOM 0 HB2 SER A 3 8.270 0.777 -4.848 1.00 42.33 H new ATOM 0 HB3 SER A 3 6.956 0.152 -5.824 1.00 42.33 H new ATOM 0 HG SER A 3 8.461 2.555 -6.191 1.00 22.24 H new ATOM 50 N THR A 4 5.438 3.936 -4.951 1.00 2.13 N ATOM 51 CA THR A 4 4.606 4.909 -5.638 1.00 1.34 C ATOM 52 C THR A 4 5.403 5.609 -6.740 1.00 64.12 C ATOM 53 O THR A 4 4.867 6.447 -7.463 1.00 13.44 O ATOM 54 CB THR A 4 4.043 5.872 -4.591 1.00 12.42 C ATOM 55 OG1 THR A 4 5.143 6.121 -3.720 1.00 42.43 O ATOM 56 CG2 THR A 4 2.997 5.212 -3.690 1.00 22.21 C ATOM 0 H THR A 4 5.982 4.312 -4.174 1.00 2.13 H new ATOM 0 HA THR A 4 3.768 4.427 -6.142 1.00 1.34 H new ATOM 0 HB THR A 4 3.600 6.733 -5.092 1.00 12.42 H new ATOM 0 HG1 THR A 4 4.866 6.739 -3.011 1.00 42.43 H new ATOM 0 HG21 THR A 4 2.630 5.939 -2.965 1.00 22.21 H new ATOM 0 HG22 THR A 4 2.166 4.855 -4.298 1.00 22.21 H new ATOM 0 HG23 THR A 4 3.449 4.371 -3.164 1.00 22.21 H new ATOM 64 N PHE A 5 6.672 5.238 -6.835 1.00 52.30 N ATOM 65 CA PHE A 5 7.548 5.820 -7.837 1.00 65.34 C ATOM 66 C PHE A 5 7.146 5.373 -9.244 1.00 75.41 C ATOM 67 O PHE A 5 7.192 6.161 -10.187 1.00 63.11 O ATOM 68 CB PHE A 5 8.963 5.317 -7.541 1.00 34.33 C ATOM 69 CG PHE A 5 9.335 5.345 -6.057 1.00 13.21 C ATOM 70 CD1 PHE A 5 8.783 6.278 -5.235 1.00 52.13 C ATOM 71 CD2 PHE A 5 10.217 4.438 -5.560 1.00 22.15 C ATOM 72 CE1 PHE A 5 9.128 6.305 -3.858 1.00 62.42 C ATOM 73 CE2 PHE A 5 10.563 4.464 -4.182 1.00 54.54 C ATOM 74 CZ PHE A 5 10.011 5.397 -3.361 1.00 13.32 C ATOM 0 H PHE A 5 7.114 4.542 -6.235 1.00 52.30 H new ATOM 0 HA PHE A 5 7.486 6.908 -7.798 1.00 65.34 H new ATOM 0 HB2 PHE A 5 9.059 4.296 -7.910 1.00 34.33 H new ATOM 0 HB3 PHE A 5 9.677 5.925 -8.096 1.00 34.33 H new ATOM 0 HD1 PHE A 5 8.082 6.998 -5.630 1.00 52.13 H new ATOM 0 HD2 PHE A 5 10.655 3.697 -6.213 1.00 22.15 H new ATOM 0 HE1 PHE A 5 8.690 7.046 -3.206 1.00 62.42 H new ATOM 0 HE2 PHE A 5 11.264 3.743 -3.787 1.00 54.54 H new ATOM 0 HZ PHE A 5 10.274 5.417 -2.314 1.00 13.32 H new ATOM 84 N LYS A 6 6.759 4.109 -9.341 1.00 12.13 N ATOM 85 CA LYS A 6 6.348 3.548 -10.616 1.00 71.43 C ATOM 86 C LYS A 6 4.861 3.832 -10.839 1.00 21.14 C ATOM 87 O LYS A 6 4.425 4.025 -11.972 1.00 42.24 O ATOM 88 CB LYS A 6 6.708 2.062 -10.689 1.00 15.23 C ATOM 89 CG LYS A 6 5.844 1.242 -9.728 1.00 62.32 C ATOM 90 CD LYS A 6 4.560 0.768 -10.413 1.00 45.40 C ATOM 91 CE LYS A 6 4.788 -0.551 -11.153 1.00 63.11 C ATOM 92 NZ LYS A 6 3.496 -1.211 -11.445 1.00 23.50 N ATOM 0 H LYS A 6 6.722 3.458 -8.557 1.00 12.13 H new ATOM 0 HA LYS A 6 6.890 4.024 -11.433 1.00 71.43 H new ATOM 0 HB2 LYS A 6 6.569 1.700 -11.708 1.00 15.23 H new ATOM 0 HB3 LYS A 6 7.761 1.927 -10.443 1.00 15.23 H new ATOM 0 HG2 LYS A 6 6.409 0.381 -9.370 1.00 62.32 H new ATOM 0 HG3 LYS A 6 5.593 1.844 -8.855 1.00 62.32 H new ATOM 0 HD2 LYS A 6 3.773 0.641 -9.670 1.00 45.40 H new ATOM 0 HD3 LYS A 6 4.216 1.528 -11.115 1.00 45.40 H new ATOM 0 HE2 LYS A 6 5.326 -0.365 -12.082 1.00 63.11 H new ATOM 0 HE3 LYS A 6 5.412 -1.210 -10.550 1.00 63.11 H new ATOM 0 HZ1 LYS A 6 3.669 -2.105 -11.948 1.00 23.50 H new ATOM 0 HZ2 LYS A 6 2.996 -1.406 -10.554 1.00 23.50 H new ATOM 0 HZ3 LYS A 6 2.914 -0.587 -12.039 1.00 23.50 H new ATOM 105 N SER A 7 4.124 3.848 -9.738 1.00 54.51 N ATOM 106 CA SER A 7 2.695 4.106 -9.798 1.00 72.15 C ATOM 107 C SER A 7 2.439 5.608 -9.935 1.00 1.32 C ATOM 108 O SER A 7 1.946 6.067 -10.964 1.00 61.12 O ATOM 109 CB SER A 7 1.983 3.557 -8.560 1.00 64.34 C ATOM 110 OG SER A 7 0.572 3.486 -8.743 1.00 12.40 O ATOM 0 H SER A 7 4.489 3.687 -8.799 1.00 54.51 H new ATOM 0 HA SER A 7 2.292 3.594 -10.672 1.00 72.15 H new ATOM 0 HB2 SER A 7 2.369 2.564 -8.330 1.00 64.34 H new ATOM 0 HB3 SER A 7 2.206 4.192 -7.702 1.00 64.34 H new ATOM 0 HG SER A 7 0.162 3.056 -7.964 1.00 12.40 H new ATOM 116 N GLU A 8 2.786 6.333 -8.881 1.00 40.03 N ATOM 117 CA GLU A 8 2.600 7.774 -8.870 1.00 43.14 C ATOM 118 C GLU A 8 3.349 8.415 -10.041 1.00 74.31 C ATOM 119 O GLU A 8 2.835 9.328 -10.685 1.00 43.13 O ATOM 120 CB GLU A 8 3.051 8.375 -7.537 1.00 73.13 C ATOM 121 CG GLU A 8 2.350 9.709 -7.273 1.00 30.05 C ATOM 122 CD GLU A 8 1.029 9.497 -6.531 1.00 32.43 C ATOM 123 OE1 GLU A 8 0.007 9.186 -7.161 1.00 20.22 O ATOM 124 OE2 GLU A 8 1.088 9.664 -5.253 1.00 52.40 O ATOM 0 H GLU A 8 3.195 5.949 -8.029 1.00 40.03 H new ATOM 0 HA GLU A 8 1.537 7.984 -8.985 1.00 43.14 H new ATOM 0 HB2 GLU A 8 2.833 7.679 -6.727 1.00 73.13 H new ATOM 0 HB3 GLU A 8 4.131 8.523 -7.547 1.00 73.13 H new ATOM 0 HG2 GLU A 8 3.001 10.356 -6.686 1.00 30.05 H new ATOM 0 HG3 GLU A 8 2.163 10.219 -8.218 1.00 30.05 H new ATOM 132 N TYR A 9 4.550 7.910 -10.281 1.00 1.31 N ATOM 133 CA TYR A 9 5.374 8.422 -11.363 1.00 22.12 C ATOM 134 C TYR A 9 5.763 7.303 -12.332 1.00 5.44 C ATOM 135 O TYR A 9 5.630 6.124 -12.009 1.00 62.14 O ATOM 136 CB TYR A 9 6.640 8.973 -10.704 1.00 42.31 C ATOM 137 CG TYR A 9 6.529 10.436 -10.268 1.00 75.44 C ATOM 138 CD1 TYR A 9 6.513 11.439 -11.216 1.00 25.20 C ATOM 139 CD2 TYR A 9 6.443 10.752 -8.928 1.00 32.45 C ATOM 140 CE1 TYR A 9 6.408 12.815 -10.806 1.00 4.12 C ATOM 141 CE2 TYR A 9 6.338 12.128 -8.517 1.00 73.14 C ATOM 142 CZ TYR A 9 6.326 13.092 -9.477 1.00 33.22 C ATOM 143 OH TYR A 9 6.226 14.392 -9.089 1.00 64.34 O ATOM 0 H TYR A 9 4.972 7.152 -9.745 1.00 1.31 H new ATOM 0 HA TYR A 9 4.835 9.180 -11.931 1.00 22.12 H new ATOM 0 HB2 TYR A 9 6.879 8.362 -9.833 1.00 42.31 H new ATOM 0 HB3 TYR A 9 7.472 8.874 -11.401 1.00 42.31 H new ATOM 0 HD1 TYR A 9 6.579 11.192 -12.265 1.00 25.20 H new ATOM 0 HD2 TYR A 9 6.454 9.967 -8.187 1.00 32.45 H new ATOM 0 HE1 TYR A 9 6.395 13.610 -11.537 1.00 4.12 H new ATOM 0 HE2 TYR A 9 6.270 12.389 -7.471 1.00 73.14 H new ATOM 0 HH TYR A 9 6.174 14.439 -8.111 1.00 64.34 H new ATOM 153 N PRO A 10 6.249 7.724 -13.530 1.00 45.30 N ATOM 154 CA PRO A 10 6.659 6.772 -14.548 1.00 30.32 C ATOM 155 C PRO A 10 8.001 6.130 -14.190 1.00 30.21 C ATOM 156 O PRO A 10 8.732 6.642 -13.344 1.00 43.20 O ATOM 157 CB PRO A 10 6.709 7.572 -15.839 1.00 1.52 C ATOM 158 CG PRO A 10 6.780 9.032 -15.421 1.00 55.42 C ATOM 159 CD PRO A 10 6.421 9.113 -13.946 1.00 44.13 C ATOM 0 HA PRO A 10 5.969 5.934 -14.642 1.00 30.32 H new ATOM 0 HB2 PRO A 10 7.577 7.294 -16.437 1.00 1.52 H new ATOM 0 HB3 PRO A 10 5.827 7.383 -16.450 1.00 1.52 H new ATOM 0 HG2 PRO A 10 7.780 9.430 -15.593 1.00 55.42 H new ATOM 0 HG3 PRO A 10 6.091 9.633 -16.015 1.00 55.42 H new ATOM 0 HD2 PRO A 10 7.208 9.603 -13.373 1.00 44.13 H new ATOM 0 HD3 PRO A 10 5.508 9.689 -13.792 1.00 44.13 H new ATOM 167 N PHE A 11 8.284 5.018 -14.852 1.00 71.40 N ATOM 168 CA PHE A 11 9.525 4.300 -14.614 1.00 41.45 C ATOM 169 C PHE A 11 10.720 5.070 -15.181 1.00 1.14 C ATOM 170 O PHE A 11 11.835 4.952 -14.674 1.00 40.35 O ATOM 171 CB PHE A 11 9.410 2.957 -15.337 1.00 25.31 C ATOM 172 CG PHE A 11 10.670 2.093 -15.248 1.00 22.11 C ATOM 173 CD1 PHE A 11 11.670 2.254 -16.155 1.00 64.44 C ATOM 174 CD2 PHE A 11 10.790 1.164 -14.261 1.00 52.44 C ATOM 175 CE1 PHE A 11 12.839 1.452 -16.073 1.00 25.11 C ATOM 176 CE2 PHE A 11 11.959 0.363 -14.179 1.00 30.31 C ATOM 177 CZ PHE A 11 12.959 0.523 -15.086 1.00 41.44 C ATOM 0 H PHE A 11 7.675 4.596 -15.553 1.00 71.40 H new ATOM 0 HA PHE A 11 9.683 4.173 -13.543 1.00 41.45 H new ATOM 0 HB2 PHE A 11 8.571 2.401 -14.919 1.00 25.31 H new ATOM 0 HB3 PHE A 11 9.180 3.139 -16.387 1.00 25.31 H new ATOM 0 HD1 PHE A 11 11.575 2.992 -16.938 1.00 64.44 H new ATOM 0 HD2 PHE A 11 9.996 1.036 -13.540 1.00 52.44 H new ATOM 0 HE1 PHE A 11 13.633 1.579 -16.794 1.00 25.11 H new ATOM 0 HE2 PHE A 11 12.054 -0.374 -13.395 1.00 30.31 H new ATOM 0 HZ PHE A 11 13.848 -0.087 -15.023 1.00 41.44 H new ATOM 187 N GLU A 12 10.447 5.841 -16.223 1.00 33.01 N ATOM 188 CA GLU A 12 11.486 6.630 -16.863 1.00 75.22 C ATOM 189 C GLU A 12 11.926 7.772 -15.946 1.00 12.41 C ATOM 190 O GLU A 12 13.080 8.197 -15.987 1.00 74.21 O ATOM 191 CB GLU A 12 11.012 7.164 -18.216 1.00 43.44 C ATOM 192 CG GLU A 12 10.811 6.024 -19.217 1.00 4.14 C ATOM 193 CD GLU A 12 10.460 6.567 -20.603 1.00 73.23 C ATOM 194 OE1 GLU A 12 9.277 6.796 -20.898 1.00 2.35 O ATOM 195 OE2 GLU A 12 11.467 6.751 -21.388 1.00 73.33 O ATOM 0 H GLU A 12 9.521 5.936 -16.640 1.00 33.01 H new ATOM 0 HA GLU A 12 12.346 5.985 -17.045 1.00 75.22 H new ATOM 0 HB2 GLU A 12 10.077 7.709 -18.088 1.00 43.44 H new ATOM 0 HB3 GLU A 12 11.743 7.872 -18.608 1.00 43.44 H new ATOM 0 HG2 GLU A 12 11.719 5.424 -19.277 1.00 4.14 H new ATOM 0 HG3 GLU A 12 10.016 5.365 -18.868 1.00 4.14 H new ATOM 203 N LYS A 13 10.983 8.238 -15.139 1.00 63.05 N ATOM 204 CA LYS A 13 11.260 9.323 -14.214 1.00 14.25 C ATOM 205 C LYS A 13 12.424 8.927 -13.303 1.00 50.34 C ATOM 206 O LYS A 13 13.501 9.518 -13.375 1.00 33.44 O ATOM 207 CB LYS A 13 9.991 9.715 -13.454 1.00 12.24 C ATOM 208 CG LYS A 13 10.132 11.106 -12.831 1.00 22.31 C ATOM 209 CD LYS A 13 9.936 12.200 -13.882 1.00 60.23 C ATOM 210 CE LYS A 13 10.489 13.539 -13.390 1.00 31.30 C ATOM 211 NZ LYS A 13 9.931 14.654 -14.187 1.00 11.24 N ATOM 0 H LYS A 13 10.027 7.884 -15.107 1.00 63.05 H new ATOM 0 HA LYS A 13 11.569 10.216 -14.756 1.00 14.25 H new ATOM 0 HB2 LYS A 13 9.138 9.701 -14.132 1.00 12.24 H new ATOM 0 HB3 LYS A 13 9.789 8.982 -12.673 1.00 12.24 H new ATOM 0 HG2 LYS A 13 9.399 11.227 -12.034 1.00 22.31 H new ATOM 0 HG3 LYS A 13 11.117 11.206 -12.376 1.00 22.31 H new ATOM 0 HD2 LYS A 13 10.436 11.914 -14.807 1.00 60.23 H new ATOM 0 HD3 LYS A 13 8.875 12.303 -14.112 1.00 60.23 H new ATOM 0 HE2 LYS A 13 10.241 13.677 -12.337 1.00 31.30 H new ATOM 0 HE3 LYS A 13 11.576 13.540 -13.464 1.00 31.30 H new ATOM 0 HZ1 LYS A 13 10.316 15.556 -13.840 1.00 11.24 H new ATOM 0 HZ2 LYS A 13 10.189 14.529 -15.187 1.00 11.24 H new ATOM 0 HZ3 LYS A 13 8.895 14.662 -14.095 1.00 11.24 H new ATOM 224 N ARG A 14 12.168 7.930 -12.469 1.00 5.41 N ATOM 225 CA ARG A 14 13.182 7.449 -11.546 1.00 20.32 C ATOM 226 C ARG A 14 14.537 7.349 -12.250 1.00 11.43 C ATOM 227 O ARG A 14 15.555 7.773 -11.706 1.00 5.14 O ATOM 228 CB ARG A 14 12.806 6.077 -10.982 1.00 62.12 C ATOM 229 CG ARG A 14 13.789 5.644 -9.892 1.00 14.20 C ATOM 230 CD ARG A 14 14.076 6.794 -8.925 1.00 12.43 C ATOM 231 NE ARG A 14 12.811 7.461 -8.541 1.00 22.51 N ATOM 232 CZ ARG A 14 12.734 8.722 -8.067 1.00 52.32 C ATOM 233 NH1 ARG A 14 13.850 9.467 -7.915 1.00 32.42 N ATOM 234 NH2 ARG A 14 11.551 9.217 -7.755 1.00 54.42 N ATOM 0 H ARG A 14 11.274 7.442 -12.413 1.00 5.41 H new ATOM 0 HA ARG A 14 13.248 8.162 -10.724 1.00 20.32 H new ATOM 0 HB2 ARG A 14 11.796 6.112 -10.573 1.00 62.12 H new ATOM 0 HB3 ARG A 14 12.799 5.339 -11.784 1.00 62.12 H new ATOM 0 HG2 ARG A 14 13.379 4.796 -9.343 1.00 14.20 H new ATOM 0 HG3 ARG A 14 14.720 5.308 -10.349 1.00 14.20 H new ATOM 0 HD2 ARG A 14 14.581 6.415 -8.036 1.00 12.43 H new ATOM 0 HD3 ARG A 14 14.749 7.513 -9.392 1.00 12.43 H new ATOM 0 HE ARG A 14 11.943 6.934 -8.641 1.00 22.51 H new ATOM 0 HH11 ARG A 14 14.760 9.077 -8.159 1.00 32.42 H new ATOM 0 HH12 ARG A 14 13.782 10.419 -7.556 1.00 32.42 H new ATOM 0 HH21 ARG A 14 10.713 8.648 -7.873 1.00 54.42 H new ATOM 0 HH22 ARG A 14 11.475 10.168 -7.395 1.00 54.42 H new ATOM 247 N LYS A 15 14.505 6.787 -13.449 1.00 40.30 N ATOM 248 CA LYS A 15 15.718 6.627 -14.233 1.00 11.11 C ATOM 249 C LYS A 15 16.313 8.005 -14.531 1.00 24.35 C ATOM 250 O LYS A 15 17.526 8.193 -14.444 1.00 32.24 O ATOM 251 CB LYS A 15 15.440 5.794 -15.485 1.00 62.55 C ATOM 252 CG LYS A 15 16.697 5.667 -16.349 1.00 74.34 C ATOM 253 CD LYS A 15 16.386 4.956 -17.668 1.00 73.21 C ATOM 254 CE LYS A 15 17.473 5.231 -18.709 1.00 12.31 C ATOM 255 NZ LYS A 15 17.405 4.238 -19.804 1.00 42.11 N ATOM 0 H LYS A 15 13.658 6.437 -13.897 1.00 40.30 H new ATOM 0 HA LYS A 15 16.466 6.071 -13.668 1.00 11.11 H new ATOM 0 HB2 LYS A 15 15.091 4.803 -15.196 1.00 62.55 H new ATOM 0 HB3 LYS A 15 14.641 6.257 -16.064 1.00 62.55 H new ATOM 0 HG2 LYS A 15 17.104 6.657 -16.553 1.00 74.34 H new ATOM 0 HG3 LYS A 15 17.462 5.113 -15.805 1.00 74.34 H new ATOM 0 HD2 LYS A 15 16.305 3.883 -17.496 1.00 73.21 H new ATOM 0 HD3 LYS A 15 15.421 5.292 -18.047 1.00 73.21 H new ATOM 0 HE2 LYS A 15 17.352 6.236 -19.113 1.00 12.31 H new ATOM 0 HE3 LYS A 15 18.455 5.194 -18.237 1.00 12.31 H new ATOM 0 HZ1 LYS A 15 18.149 4.439 -20.502 1.00 42.11 H new ATOM 0 HZ2 LYS A 15 17.543 3.283 -19.416 1.00 42.11 H new ATOM 0 HZ3 LYS A 15 16.474 4.293 -20.265 1.00 42.11 H new ATOM 268 N ALA A 16 15.433 8.933 -14.875 1.00 72.45 N ATOM 269 CA ALA A 16 15.856 10.287 -15.186 1.00 42.44 C ATOM 270 C ALA A 16 16.701 10.831 -14.032 1.00 60.43 C ATOM 271 O ALA A 16 17.875 11.151 -14.214 1.00 74.24 O ATOM 272 CB ALA A 16 14.627 11.154 -15.468 1.00 45.41 C ATOM 0 H ALA A 16 14.428 8.774 -14.945 1.00 72.45 H new ATOM 0 HA ALA A 16 16.476 10.299 -16.082 1.00 42.44 H new ATOM 0 HB1 ALA A 16 14.944 12.170 -15.701 1.00 45.41 H new ATOM 0 HB2 ALA A 16 14.078 10.742 -16.314 1.00 45.41 H new ATOM 0 HB3 ALA A 16 13.982 11.168 -14.589 1.00 45.41 H new ATOM 278 N GLU A 17 16.071 10.918 -12.870 1.00 21.20 N ATOM 279 CA GLU A 17 16.750 11.417 -11.686 1.00 62.23 C ATOM 280 C GLU A 17 18.191 10.904 -11.645 1.00 41.02 C ATOM 281 O GLU A 17 19.129 11.688 -11.506 1.00 31.33 O ATOM 282 CB GLU A 17 15.993 11.028 -10.415 1.00 23.41 C ATOM 283 CG GLU A 17 16.030 12.160 -9.387 1.00 33.03 C ATOM 284 CD GLU A 17 14.802 13.063 -9.522 1.00 42.34 C ATOM 285 OE1 GLU A 17 14.055 12.951 -10.506 1.00 22.43 O ATOM 286 OE2 GLU A 17 14.636 13.906 -8.560 1.00 30.55 O ATOM 0 H GLU A 17 15.098 10.651 -12.723 1.00 21.20 H new ATOM 0 HA GLU A 17 16.774 12.506 -11.736 1.00 62.23 H new ATOM 0 HB2 GLU A 17 14.958 10.790 -10.662 1.00 23.41 H new ATOM 0 HB3 GLU A 17 16.433 10.128 -9.986 1.00 23.41 H new ATOM 0 HG2 GLU A 17 16.070 11.742 -8.381 1.00 33.03 H new ATOM 0 HG3 GLU A 17 16.936 12.750 -9.523 1.00 33.03 H new ATOM 294 N SER A 18 18.322 9.591 -11.769 1.00 42.53 N ATOM 295 CA SER A 18 19.633 8.965 -11.748 1.00 60.11 C ATOM 296 C SER A 18 20.560 9.656 -12.751 1.00 34.05 C ATOM 297 O SER A 18 21.706 9.965 -12.430 1.00 64.15 O ATOM 298 CB SER A 18 19.534 7.470 -12.060 1.00 1.32 C ATOM 299 OG SER A 18 19.354 6.690 -10.881 1.00 74.01 O ATOM 0 H SER A 18 17.542 8.944 -11.884 1.00 42.53 H new ATOM 0 HA SER A 18 20.048 9.073 -10.746 1.00 60.11 H new ATOM 0 HB2 SER A 18 18.701 7.296 -12.741 1.00 1.32 H new ATOM 0 HB3 SER A 18 20.439 7.146 -12.574 1.00 1.32 H new ATOM 0 HG SER A 18 18.691 7.121 -10.302 1.00 74.01 H new ATOM 305 N GLU A 19 20.028 9.878 -13.943 1.00 53.44 N ATOM 306 CA GLU A 19 20.793 10.527 -14.995 1.00 15.33 C ATOM 307 C GLU A 19 21.319 11.880 -14.510 1.00 62.34 C ATOM 308 O GLU A 19 22.342 12.361 -14.995 1.00 23.11 O ATOM 309 CB GLU A 19 19.953 10.688 -16.264 1.00 3.33 C ATOM 310 CG GLU A 19 19.439 9.334 -16.757 1.00 1.14 C ATOM 311 CD GLU A 19 19.203 9.354 -18.268 1.00 43.42 C ATOM 312 OE1 GLU A 19 18.071 9.591 -18.716 1.00 23.21 O ATOM 313 OE2 GLU A 19 20.248 9.114 -18.986 1.00 53.32 O ATOM 0 H GLU A 19 19.076 9.620 -14.205 1.00 53.44 H new ATOM 0 HA GLU A 19 21.646 9.894 -15.241 1.00 15.33 H new ATOM 0 HB2 GLU A 19 19.110 11.350 -16.065 1.00 3.33 H new ATOM 0 HB3 GLU A 19 20.552 11.159 -17.043 1.00 3.33 H new ATOM 0 HG2 GLU A 19 20.160 8.555 -16.508 1.00 1.14 H new ATOM 0 HG3 GLU A 19 18.510 9.085 -16.244 1.00 1.14 H new ATOM 321 N ARG A 20 20.596 12.455 -13.561 1.00 24.44 N ATOM 322 CA ARG A 20 20.978 13.742 -13.005 1.00 40.15 C ATOM 323 C ARG A 20 22.089 13.565 -11.968 1.00 74.32 C ATOM 324 O ARG A 20 22.960 14.423 -11.833 1.00 75.31 O ATOM 325 CB ARG A 20 19.782 14.435 -12.349 1.00 4.01 C ATOM 326 CG ARG A 20 18.608 14.544 -13.324 1.00 64.11 C ATOM 327 CD ARG A 20 17.429 15.278 -12.683 1.00 30.44 C ATOM 328 NE ARG A 20 17.796 16.685 -12.410 1.00 4.11 N ATOM 329 CZ ARG A 20 17.055 17.529 -11.662 1.00 1.54 C ATOM 330 NH1 ARG A 20 15.898 17.115 -11.104 1.00 73.30 N ATOM 331 NH2 ARG A 20 17.479 18.767 -11.483 1.00 70.23 N ATOM 0 H ARG A 20 19.747 12.053 -13.163 1.00 24.44 H new ATOM 0 HA ARG A 20 21.339 14.363 -13.825 1.00 40.15 H new ATOM 0 HB2 ARG A 20 19.474 13.877 -11.465 1.00 4.01 H new ATOM 0 HB3 ARG A 20 20.073 15.430 -12.013 1.00 4.01 H new ATOM 0 HG2 ARG A 20 18.925 15.073 -14.223 1.00 64.11 H new ATOM 0 HG3 ARG A 20 18.295 13.547 -13.635 1.00 64.11 H new ATOM 0 HD2 ARG A 20 16.564 15.241 -13.345 1.00 30.44 H new ATOM 0 HD3 ARG A 20 17.142 14.782 -11.756 1.00 30.44 H new ATOM 0 HE ARG A 20 18.664 17.039 -12.812 1.00 4.11 H new ATOM 0 HH11 ARG A 20 15.577 16.157 -11.246 1.00 73.30 H new ATOM 0 HH12 ARG A 20 15.344 17.760 -10.540 1.00 73.30 H new ATOM 0 HH21 ARG A 20 18.355 19.073 -11.907 1.00 70.23 H new ATOM 0 HH22 ARG A 20 16.931 19.418 -10.920 1.00 70.23 H new ATOM 344 N ILE A 21 22.022 12.446 -11.262 1.00 72.41 N ATOM 345 CA ILE A 21 23.011 12.145 -10.241 1.00 70.30 C ATOM 346 C ILE A 21 24.299 11.661 -10.911 1.00 55.12 C ATOM 347 O ILE A 21 25.387 11.825 -10.363 1.00 43.10 O ATOM 348 CB ILE A 21 22.442 11.159 -9.218 1.00 44.21 C ATOM 349 CG1 ILE A 21 21.526 11.871 -8.221 1.00 55.35 C ATOM 350 CG2 ILE A 21 23.563 10.389 -8.517 1.00 3.21 C ATOM 351 CD1 ILE A 21 20.652 10.868 -7.466 1.00 24.42 C ATOM 0 H ILE A 21 21.298 11.737 -11.377 1.00 72.41 H new ATOM 0 HA ILE A 21 23.263 13.044 -9.678 1.00 70.30 H new ATOM 0 HB ILE A 21 21.833 10.428 -9.750 1.00 44.21 H new ATOM 0 HG12 ILE A 21 22.127 12.441 -7.512 1.00 55.35 H new ATOM 0 HG13 ILE A 21 20.894 12.585 -8.749 1.00 55.35 H new ATOM 0 HG21 ILE A 21 23.132 9.695 -7.795 1.00 3.21 H new ATOM 0 HG22 ILE A 21 24.139 9.832 -9.256 1.00 3.21 H new ATOM 0 HG23 ILE A 21 24.218 11.090 -8.000 1.00 3.21 H new ATOM 0 HD11 ILE A 21 20.011 11.401 -6.764 1.00 24.42 H new ATOM 0 HD12 ILE A 21 20.035 10.317 -8.175 1.00 24.42 H new ATOM 0 HD13 ILE A 21 21.287 10.171 -6.920 1.00 24.42 H new ATOM 363 N ALA A 22 24.131 11.075 -12.087 1.00 63.45 N ATOM 364 CA ALA A 22 25.267 10.566 -12.838 1.00 54.03 C ATOM 365 C ALA A 22 25.954 11.725 -13.563 1.00 52.11 C ATOM 366 O ALA A 22 27.128 11.631 -13.918 1.00 12.44 O ATOM 367 CB ALA A 22 24.795 9.474 -13.801 1.00 14.33 C ATOM 0 H ALA A 22 23.226 10.941 -12.539 1.00 63.45 H new ATOM 0 HA ALA A 22 25.999 10.116 -12.168 1.00 54.03 H new ATOM 0 HB1 ALA A 22 25.647 9.092 -14.364 1.00 14.33 H new ATOM 0 HB2 ALA A 22 24.341 8.661 -13.235 1.00 14.33 H new ATOM 0 HB3 ALA A 22 24.061 9.890 -14.491 1.00 14.33 H new ATOM 373 N ASP A 23 25.193 12.791 -13.762 1.00 14.23 N ATOM 374 CA ASP A 23 25.714 13.967 -14.438 1.00 15.11 C ATOM 375 C ASP A 23 26.231 14.962 -13.397 1.00 35.35 C ATOM 376 O ASP A 23 27.002 15.863 -13.723 1.00 31.43 O ATOM 377 CB ASP A 23 24.622 14.662 -15.254 1.00 72.10 C ATOM 378 CG ASP A 23 25.117 15.402 -16.498 1.00 51.21 C ATOM 379 OD1 ASP A 23 24.478 16.354 -16.972 1.00 31.53 O ATOM 380 OD2 ASP A 23 26.223 14.959 -16.992 1.00 4.43 O ATOM 0 H ASP A 23 24.219 12.865 -13.467 1.00 14.23 H new ATOM 0 HA ASP A 23 26.514 13.645 -15.105 1.00 15.11 H new ATOM 0 HB2 ASP A 23 23.889 13.916 -15.561 1.00 72.10 H new ATOM 0 HB3 ASP A 23 24.104 15.372 -14.609 1.00 72.10 H new ATOM 386 N ARG A 24 25.785 14.765 -12.164 1.00 73.25 N ATOM 387 CA ARG A 24 26.193 15.633 -11.073 1.00 53.23 C ATOM 388 C ARG A 24 27.209 14.920 -10.179 1.00 15.04 C ATOM 389 O ARG A 24 28.361 15.339 -10.086 1.00 64.34 O ATOM 390 CB ARG A 24 24.990 16.059 -10.229 1.00 31.32 C ATOM 391 CG ARG A 24 25.231 17.423 -9.579 1.00 24.42 C ATOM 392 CD ARG A 24 26.675 17.548 -9.086 1.00 74.55 C ATOM 393 NE ARG A 24 26.837 18.795 -8.306 1.00 61.34 N ATOM 394 CZ ARG A 24 26.904 20.027 -8.854 1.00 64.32 C ATOM 395 NH1 ARG A 24 26.824 20.187 -10.192 1.00 73.02 N ATOM 396 NH2 ARG A 24 27.051 21.072 -8.062 1.00 14.31 N ATOM 0 H ARG A 24 25.145 14.017 -11.897 1.00 73.25 H new ATOM 0 HA ARG A 24 26.649 16.522 -11.509 1.00 53.23 H new ATOM 0 HB2 ARG A 24 24.099 16.103 -10.856 1.00 31.32 H new ATOM 0 HB3 ARG A 24 24.800 15.313 -9.457 1.00 31.32 H new ATOM 0 HG2 ARG A 24 25.018 18.215 -10.297 1.00 24.42 H new ATOM 0 HG3 ARG A 24 24.545 17.558 -8.743 1.00 24.42 H new ATOM 0 HD2 ARG A 24 26.933 16.687 -8.469 1.00 74.55 H new ATOM 0 HD3 ARG A 24 27.359 17.549 -9.935 1.00 74.55 H new ATOM 0 HE ARG A 24 26.902 18.719 -7.291 1.00 61.34 H new ATOM 0 HH11 ARG A 24 26.712 19.374 -10.797 1.00 73.02 H new ATOM 0 HH12 ARG A 24 26.875 21.121 -10.598 1.00 73.02 H new ATOM 0 HH21 ARG A 24 27.112 20.942 -7.052 1.00 14.31 H new ATOM 0 HH22 ARG A 24 27.103 22.010 -8.460 1.00 14.31 H new ATOM 409 N PHE A 25 26.744 13.855 -9.542 1.00 53.02 N ATOM 410 CA PHE A 25 27.597 13.080 -8.658 1.00 64.32 C ATOM 411 C PHE A 25 27.674 11.620 -9.111 1.00 41.20 C ATOM 412 O PHE A 25 27.048 10.747 -8.513 1.00 14.13 O ATOM 413 CB PHE A 25 26.968 13.137 -7.265 1.00 75.41 C ATOM 414 CG PHE A 25 26.300 14.474 -6.938 1.00 71.11 C ATOM 415 CD1 PHE A 25 27.040 15.499 -6.438 1.00 43.33 C ATOM 416 CD2 PHE A 25 24.966 14.637 -7.147 1.00 40.25 C ATOM 417 CE1 PHE A 25 26.421 16.741 -6.135 1.00 33.51 C ATOM 418 CE2 PHE A 25 24.346 15.878 -6.844 1.00 45.32 C ATOM 419 CZ PHE A 25 25.087 16.904 -6.344 1.00 71.23 C ATOM 0 H PHE A 25 25.787 13.511 -9.621 1.00 53.02 H new ATOM 0 HA PHE A 25 28.608 13.488 -8.665 1.00 64.32 H new ATOM 0 HB2 PHE A 25 26.227 12.342 -7.179 1.00 75.41 H new ATOM 0 HB3 PHE A 25 27.739 12.936 -6.521 1.00 75.41 H new ATOM 0 HD1 PHE A 25 28.099 15.369 -6.271 1.00 43.33 H new ATOM 0 HD2 PHE A 25 24.378 13.822 -7.544 1.00 40.25 H new ATOM 0 HE1 PHE A 25 27.009 17.555 -5.739 1.00 33.51 H new ATOM 0 HE2 PHE A 25 23.287 16.008 -7.010 1.00 45.32 H new ATOM 0 HZ PHE A 25 24.616 17.848 -6.113 1.00 71.23 H new ATOM 429 N PRO A 26 28.468 11.395 -10.192 1.00 22.21 N ATOM 430 CA PRO A 26 28.635 10.056 -10.732 1.00 0.31 C ATOM 431 C PRO A 26 29.551 9.216 -9.840 1.00 61.52 C ATOM 432 O PRO A 26 29.800 8.046 -10.127 1.00 75.43 O ATOM 433 CB PRO A 26 29.194 10.263 -12.130 1.00 73.02 C ATOM 434 CG PRO A 26 29.754 11.676 -12.151 1.00 32.13 C ATOM 435 CD PRO A 26 29.225 12.405 -10.926 1.00 23.51 C ATOM 0 HA PRO A 26 27.700 9.498 -10.770 1.00 0.31 H new ATOM 0 HB2 PRO A 26 29.971 9.532 -12.352 1.00 73.02 H new ATOM 0 HB3 PRO A 26 28.416 10.140 -12.884 1.00 73.02 H new ATOM 0 HG2 PRO A 26 30.844 11.655 -12.142 1.00 32.13 H new ATOM 0 HG3 PRO A 26 29.453 12.193 -13.062 1.00 32.13 H new ATOM 0 HD2 PRO A 26 30.039 12.807 -10.322 1.00 23.51 H new ATOM 0 HD3 PRO A 26 28.592 13.246 -11.208 1.00 23.51 H new ATOM 443 N ASN A 27 30.028 9.845 -8.776 1.00 61.33 N ATOM 444 CA ASN A 27 30.911 9.169 -7.841 1.00 1.23 C ATOM 445 C ASN A 27 30.112 8.747 -6.606 1.00 61.12 C ATOM 446 O ASN A 27 30.690 8.366 -5.589 1.00 15.30 O ATOM 447 CB ASN A 27 32.038 10.096 -7.380 1.00 63.52 C ATOM 448 CG ASN A 27 33.207 10.070 -8.367 1.00 61.42 C ATOM 449 OD1 ASN A 27 34.111 9.255 -8.278 1.00 10.13 O ATOM 450 ND2 ASN A 27 33.139 11.004 -9.311 1.00 50.10 N ATOM 0 H ASN A 27 29.820 10.815 -8.541 1.00 61.33 H new ATOM 0 HA ASN A 27 31.339 8.304 -8.347 1.00 1.23 H new ATOM 0 HB2 ASN A 27 31.660 11.114 -7.285 1.00 63.52 H new ATOM 0 HB3 ASN A 27 32.384 9.791 -6.393 1.00 63.52 H new ATOM 0 HD21 ASN A 27 33.871 11.069 -10.018 1.00 50.10 H new ATOM 0 HD22 ASN A 27 32.354 11.655 -9.328 1.00 50.10 H new ATOM 457 N ARG A 28 28.796 8.828 -6.736 1.00 41.41 N ATOM 458 CA ARG A 28 27.912 8.459 -5.644 1.00 11.43 C ATOM 459 C ARG A 28 27.127 7.195 -6.000 1.00 52.41 C ATOM 460 O ARG A 28 27.321 6.621 -7.070 1.00 71.12 O ATOM 461 CB ARG A 28 26.930 9.588 -5.325 1.00 0.44 C ATOM 462 CG ARG A 28 27.644 10.763 -4.653 1.00 24.24 C ATOM 463 CD ARG A 28 27.909 10.470 -3.174 1.00 43.13 C ATOM 464 NE ARG A 28 26.805 11.005 -2.347 1.00 32.52 N ATOM 465 CZ ARG A 28 26.895 11.232 -1.019 1.00 63.31 C ATOM 466 NH1 ARG A 28 28.042 10.972 -0.356 1.00 43.22 N ATOM 467 NH2 ARG A 28 25.845 11.711 -0.379 1.00 2.21 N ATOM 0 H ARG A 28 28.321 9.144 -7.581 1.00 41.41 H new ATOM 0 HA ARG A 28 28.530 8.271 -4.766 1.00 11.43 H new ATOM 0 HB2 ARG A 28 26.449 9.927 -6.243 1.00 0.44 H new ATOM 0 HB3 ARG A 28 26.142 9.215 -4.671 1.00 0.44 H new ATOM 0 HG2 ARG A 28 28.587 10.960 -5.163 1.00 24.24 H new ATOM 0 HG3 ARG A 28 27.037 11.664 -4.746 1.00 24.24 H new ATOM 0 HD2 ARG A 28 28.003 9.395 -3.019 1.00 43.13 H new ATOM 0 HD3 ARG A 28 28.854 10.920 -2.869 1.00 43.13 H new ATOM 0 HE ARG A 28 25.920 11.216 -2.809 1.00 32.52 H new ATOM 0 HH11 ARG A 28 28.849 10.601 -0.858 1.00 43.22 H new ATOM 0 HH12 ARG A 28 28.102 11.146 0.647 1.00 43.22 H new ATOM 0 HH21 ARG A 28 24.982 11.904 -0.888 1.00 2.21 H new ATOM 0 HH22 ARG A 28 25.896 11.888 0.624 1.00 2.21 H new ATOM 480 N ILE A 29 26.257 6.800 -5.083 1.00 34.52 N ATOM 481 CA ILE A 29 25.441 5.614 -5.287 1.00 3.21 C ATOM 482 C ILE A 29 24.081 5.814 -4.616 1.00 10.42 C ATOM 483 O ILE A 29 23.910 5.489 -3.442 1.00 51.20 O ATOM 484 CB ILE A 29 26.184 4.364 -4.810 1.00 42.43 C ATOM 485 CG1 ILE A 29 27.546 4.241 -5.497 1.00 72.41 C ATOM 486 CG2 ILE A 29 25.328 3.111 -5.004 1.00 25.13 C ATOM 487 CD1 ILE A 29 28.271 2.969 -5.052 1.00 74.32 C ATOM 0 H ILE A 29 26.099 7.279 -4.197 1.00 34.52 H new ATOM 0 HA ILE A 29 25.253 5.459 -6.349 1.00 3.21 H new ATOM 0 HB ILE A 29 26.371 4.464 -3.741 1.00 42.43 H new ATOM 0 HG12 ILE A 29 27.412 4.228 -6.579 1.00 72.41 H new ATOM 0 HG13 ILE A 29 28.156 5.113 -5.262 1.00 72.41 H new ATOM 0 HG21 ILE A 29 25.879 2.237 -4.657 1.00 25.13 H new ATOM 0 HG22 ILE A 29 24.405 3.209 -4.432 1.00 25.13 H new ATOM 0 HG23 ILE A 29 25.089 2.994 -6.061 1.00 25.13 H new ATOM 0 HD11 ILE A 29 29.236 2.905 -5.555 1.00 74.32 H new ATOM 0 HD12 ILE A 29 28.425 2.996 -3.973 1.00 74.32 H new ATOM 0 HD13 ILE A 29 27.669 2.098 -5.311 1.00 74.32 H new ATOM 499 N PRO A 30 23.123 6.363 -5.411 1.00 23.15 N ATOM 500 CA PRO A 30 21.783 6.610 -4.906 1.00 4.32 C ATOM 501 C PRO A 30 20.991 5.307 -4.792 1.00 30.54 C ATOM 502 O PRO A 30 20.504 4.782 -5.792 1.00 64.02 O ATOM 503 CB PRO A 30 21.169 7.595 -5.887 1.00 71.03 C ATOM 504 CG PRO A 30 22.010 7.505 -7.150 1.00 62.31 C ATOM 505 CD PRO A 30 23.290 6.761 -6.805 1.00 71.54 C ATOM 0 HA PRO A 30 21.783 7.021 -3.896 1.00 4.32 H new ATOM 0 HB2 PRO A 30 20.128 7.344 -6.092 1.00 71.03 H new ATOM 0 HB3 PRO A 30 21.179 8.607 -5.482 1.00 71.03 H new ATOM 0 HG2 PRO A 30 21.464 6.982 -7.936 1.00 62.31 H new ATOM 0 HG3 PRO A 30 22.238 8.501 -7.529 1.00 62.31 H new ATOM 0 HD2 PRO A 30 23.430 5.894 -7.450 1.00 71.54 H new ATOM 0 HD3 PRO A 30 24.165 7.398 -6.933 1.00 71.54 H new ATOM 513 N VAL A 31 20.886 4.821 -3.563 1.00 72.04 N ATOM 514 CA VAL A 31 20.161 3.589 -3.305 1.00 74.44 C ATOM 515 C VAL A 31 18.681 3.910 -3.082 1.00 25.45 C ATOM 516 O VAL A 31 18.338 5.018 -2.674 1.00 50.33 O ATOM 517 CB VAL A 31 20.795 2.844 -2.129 1.00 45.20 C ATOM 518 CG1 VAL A 31 20.065 3.160 -0.822 1.00 60.52 C ATOM 519 CG2 VAL A 31 20.830 1.337 -2.388 1.00 73.33 C ATOM 0 H VAL A 31 21.291 5.259 -2.736 1.00 72.04 H new ATOM 0 HA VAL A 31 20.223 2.923 -4.165 1.00 74.44 H new ATOM 0 HB VAL A 31 21.824 3.190 -2.030 1.00 45.20 H new ATOM 0 HG11 VAL A 31 20.536 2.618 -0.002 1.00 60.52 H new ATOM 0 HG12 VAL A 31 20.117 4.231 -0.626 1.00 60.52 H new ATOM 0 HG13 VAL A 31 19.021 2.857 -0.906 1.00 60.52 H new ATOM 0 HG21 VAL A 31 21.286 0.832 -1.536 1.00 73.33 H new ATOM 0 HG22 VAL A 31 19.814 0.968 -2.528 1.00 73.33 H new ATOM 0 HG23 VAL A 31 21.416 1.135 -3.285 1.00 73.33 H new ATOM 529 N ILE A 32 17.846 2.919 -3.357 1.00 54.44 N ATOM 530 CA ILE A 32 16.411 3.082 -3.191 1.00 43.42 C ATOM 531 C ILE A 32 15.848 1.871 -2.445 1.00 52.33 C ATOM 532 O ILE A 32 15.489 0.869 -3.062 1.00 43.43 O ATOM 533 CB ILE A 32 15.741 3.339 -4.543 1.00 21.05 C ATOM 534 CG1 ILE A 32 15.868 4.809 -4.947 1.00 63.03 C ATOM 535 CG2 ILE A 32 14.284 2.872 -4.529 1.00 42.03 C ATOM 536 CD1 ILE A 32 14.779 5.656 -4.286 1.00 4.03 C ATOM 0 H ILE A 32 18.135 2.001 -3.694 1.00 54.44 H new ATOM 0 HA ILE A 32 16.195 3.960 -2.583 1.00 43.42 H new ATOM 0 HB ILE A 32 16.261 2.751 -5.300 1.00 21.05 H new ATOM 0 HG12 ILE A 32 16.850 5.185 -4.660 1.00 63.03 H new ATOM 0 HG13 ILE A 32 15.796 4.899 -6.031 1.00 63.03 H new ATOM 0 HG21 ILE A 32 13.830 3.066 -5.501 1.00 42.03 H new ATOM 0 HG22 ILE A 32 14.246 1.803 -4.318 1.00 42.03 H new ATOM 0 HG23 ILE A 32 13.736 3.414 -3.758 1.00 42.03 H new ATOM 0 HD11 ILE A 32 14.893 6.697 -4.590 1.00 4.03 H new ATOM 0 HD12 ILE A 32 13.799 5.293 -4.594 1.00 4.03 H new ATOM 0 HD13 ILE A 32 14.869 5.583 -3.202 1.00 4.03 H new ATOM 548 N CYS A 33 15.787 2.003 -1.128 1.00 41.24 N ATOM 549 CA CYS A 33 15.273 0.932 -0.292 1.00 3.12 C ATOM 550 C CYS A 33 13.761 1.114 -0.153 1.00 54.51 C ATOM 551 O CYS A 33 13.246 2.218 -0.329 1.00 61.34 O ATOM 552 CB CYS A 33 15.971 0.893 1.069 1.00 13.45 C ATOM 553 SG CYS A 33 15.346 2.247 2.131 1.00 21.33 S ATOM 0 H CYS A 33 16.085 2.835 -0.620 1.00 41.24 H new ATOM 0 HA CYS A 33 15.480 -0.030 -0.761 1.00 3.12 H new ATOM 0 HB2 CYS A 33 15.794 -0.069 1.550 1.00 13.45 H new ATOM 0 HB3 CYS A 33 17.049 0.991 0.937 1.00 13.45 H new ATOM 0 HG CYS A 33 14.806 1.745 3.201 1.00 21.33 H new ATOM 559 N GLU A 34 13.091 0.016 0.162 1.00 74.45 N ATOM 560 CA GLU A 34 11.647 0.040 0.326 1.00 41.41 C ATOM 561 C GLU A 34 11.240 -0.761 1.564 1.00 71.32 C ATOM 562 O GLU A 34 11.511 -1.958 1.650 1.00 43.13 O ATOM 563 CB GLU A 34 10.944 -0.488 -0.926 1.00 34.45 C ATOM 564 CG GLU A 34 11.573 0.091 -2.194 1.00 75.03 C ATOM 565 CD GLU A 34 10.772 -0.310 -3.435 1.00 40.52 C ATOM 566 OE1 GLU A 34 10.868 0.357 -4.477 1.00 22.34 O ATOM 567 OE2 GLU A 34 10.030 -1.355 -3.291 1.00 51.23 O ATOM 0 H GLU A 34 13.521 -0.897 0.308 1.00 74.45 H new ATOM 0 HA GLU A 34 11.334 1.074 0.468 1.00 41.41 H new ATOM 0 HB2 GLU A 34 11.005 -1.576 -0.950 1.00 34.45 H new ATOM 0 HB3 GLU A 34 9.886 -0.229 -0.890 1.00 34.45 H new ATOM 0 HG2 GLU A 34 11.616 1.178 -2.120 1.00 75.03 H new ATOM 0 HG3 GLU A 34 12.600 -0.263 -2.289 1.00 75.03 H new ATOM 575 N LYS A 35 10.595 -0.070 2.492 1.00 43.51 N ATOM 576 CA LYS A 35 10.148 -0.702 3.721 1.00 20.22 C ATOM 577 C LYS A 35 9.602 -2.096 3.403 1.00 1.42 C ATOM 578 O LYS A 35 8.909 -2.282 2.404 1.00 45.31 O ATOM 579 CB LYS A 35 9.150 0.197 4.454 1.00 21.20 C ATOM 580 CG LYS A 35 8.220 -0.629 5.345 1.00 72.12 C ATOM 581 CD LYS A 35 8.991 -1.265 6.503 1.00 65.44 C ATOM 582 CE LYS A 35 8.809 -0.461 7.791 1.00 11.30 C ATOM 583 NZ LYS A 35 10.048 0.279 8.120 1.00 52.43 N ATOM 0 H LYS A 35 10.371 0.922 2.417 1.00 43.51 H new ATOM 0 HA LYS A 35 10.985 -0.835 4.407 1.00 20.22 H new ATOM 0 HB2 LYS A 35 9.688 0.925 5.060 1.00 21.20 H new ATOM 0 HB3 LYS A 35 8.561 0.759 3.729 1.00 21.20 H new ATOM 0 HG2 LYS A 35 7.427 0.007 5.738 1.00 72.12 H new ATOM 0 HG3 LYS A 35 7.740 -1.408 4.752 1.00 72.12 H new ATOM 0 HD2 LYS A 35 8.645 -2.287 6.657 1.00 65.44 H new ATOM 0 HD3 LYS A 35 10.050 -1.321 6.252 1.00 65.44 H new ATOM 0 HE2 LYS A 35 7.981 0.238 7.676 1.00 11.30 H new ATOM 0 HE3 LYS A 35 8.550 -1.131 8.611 1.00 11.30 H new ATOM 0 HZ1 LYS A 35 9.930 0.765 9.032 1.00 52.43 H new ATOM 0 HZ2 LYS A 35 10.844 -0.387 8.183 1.00 52.43 H new ATOM 0 HZ3 LYS A 35 10.242 0.980 7.376 1.00 52.43 H new ATOM 596 N ALA A 36 9.935 -3.039 4.272 1.00 52.00 N ATOM 597 CA ALA A 36 9.487 -4.410 4.096 1.00 14.03 C ATOM 598 C ALA A 36 8.256 -4.656 4.972 1.00 5.02 C ATOM 599 O ALA A 36 8.363 -4.713 6.196 1.00 0.03 O ATOM 600 CB ALA A 36 10.634 -5.368 4.421 1.00 65.03 C ATOM 0 H ALA A 36 10.510 -2.881 5.100 1.00 52.00 H new ATOM 0 HA ALA A 36 9.197 -4.589 3.061 1.00 14.03 H new ATOM 0 HB1 ALA A 36 10.298 -6.396 4.289 1.00 65.03 H new ATOM 0 HB2 ALA A 36 11.472 -5.172 3.753 1.00 65.03 H new ATOM 0 HB3 ALA A 36 10.951 -5.220 5.453 1.00 65.03 H new ATOM 606 N GLU A 37 7.117 -4.795 4.311 1.00 70.22 N ATOM 607 CA GLU A 37 5.868 -5.034 5.014 1.00 51.21 C ATOM 608 C GLU A 37 6.047 -6.143 6.053 1.00 40.32 C ATOM 609 O GLU A 37 5.424 -6.112 7.113 1.00 53.43 O ATOM 610 CB GLU A 37 4.744 -5.377 4.034 1.00 1.11 C ATOM 611 CG GLU A 37 4.948 -6.768 3.431 1.00 62.12 C ATOM 612 CD GLU A 37 3.822 -7.113 2.454 1.00 11.13 C ATOM 613 OE1 GLU A 37 4.021 -7.927 1.541 1.00 62.14 O ATOM 614 OE2 GLU A 37 2.706 -6.502 2.671 1.00 24.31 O ATOM 0 H GLU A 37 7.032 -4.747 3.296 1.00 70.22 H new ATOM 0 HA GLU A 37 5.586 -4.118 5.534 1.00 51.21 H new ATOM 0 HB2 GLU A 37 3.784 -5.337 4.548 1.00 1.11 H new ATOM 0 HB3 GLU A 37 4.711 -4.633 3.238 1.00 1.11 H new ATOM 0 HG2 GLU A 37 5.907 -6.807 2.915 1.00 62.12 H new ATOM 0 HG3 GLU A 37 4.984 -7.512 4.227 1.00 62.12 H new ATOM 622 N LYS A 38 6.902 -7.096 5.712 1.00 35.24 N ATOM 623 CA LYS A 38 7.170 -8.213 6.602 1.00 5.25 C ATOM 624 C LYS A 38 7.672 -7.679 7.946 1.00 62.22 C ATOM 625 O LYS A 38 7.260 -8.158 9.001 1.00 21.31 O ATOM 626 CB LYS A 38 8.126 -9.208 5.940 1.00 12.34 C ATOM 627 CG LYS A 38 7.463 -9.890 4.742 1.00 41.54 C ATOM 628 CD LYS A 38 6.759 -11.180 5.165 1.00 63.40 C ATOM 629 CE LYS A 38 7.531 -12.410 4.681 1.00 53.44 C ATOM 630 NZ LYS A 38 6.652 -13.601 4.668 1.00 44.21 N ATOM 0 H LYS A 38 7.418 -7.118 4.832 1.00 35.24 H new ATOM 0 HA LYS A 38 6.254 -8.770 6.801 1.00 5.25 H new ATOM 0 HB2 LYS A 38 9.028 -8.690 5.615 1.00 12.34 H new ATOM 0 HB3 LYS A 38 8.435 -9.960 6.666 1.00 12.34 H new ATOM 0 HG2 LYS A 38 6.742 -9.211 4.286 1.00 41.54 H new ATOM 0 HG3 LYS A 38 8.214 -10.113 3.985 1.00 41.54 H new ATOM 0 HD2 LYS A 38 6.666 -11.209 6.251 1.00 63.40 H new ATOM 0 HD3 LYS A 38 5.748 -11.197 4.758 1.00 63.40 H new ATOM 0 HE2 LYS A 38 7.924 -12.230 3.680 1.00 53.44 H new ATOM 0 HE3 LYS A 38 8.387 -12.589 5.332 1.00 53.44 H new ATOM 0 HZ1 LYS A 38 7.191 -14.427 4.337 1.00 44.21 H new ATOM 0 HZ2 LYS A 38 6.297 -13.781 5.629 1.00 44.21 H new ATOM 0 HZ3 LYS A 38 5.849 -13.433 4.029 1.00 44.21 H new ATOM 643 N SER A 39 8.555 -6.694 7.863 1.00 74.43 N ATOM 644 CA SER A 39 9.117 -6.091 9.059 1.00 51.53 C ATOM 645 C SER A 39 7.995 -5.560 9.954 1.00 42.53 C ATOM 646 O SER A 39 6.846 -5.467 9.526 1.00 73.52 O ATOM 647 CB SER A 39 10.089 -4.965 8.702 1.00 4.41 C ATOM 648 OG SER A 39 10.670 -5.149 7.414 1.00 53.54 O ATOM 0 H SER A 39 8.895 -6.299 6.986 1.00 74.43 H new ATOM 0 HA SER A 39 9.673 -6.857 9.600 1.00 51.53 H new ATOM 0 HB2 SER A 39 9.564 -4.010 8.730 1.00 4.41 H new ATOM 0 HB3 SER A 39 10.878 -4.916 9.452 1.00 4.41 H new ATOM 0 HG SER A 39 10.140 -4.668 6.744 1.00 53.54 H new ATOM 654 N ASP A 40 8.369 -5.224 11.180 1.00 73.12 N ATOM 655 CA ASP A 40 7.409 -4.705 12.139 1.00 55.32 C ATOM 656 C ASP A 40 7.896 -3.351 12.660 1.00 73.13 C ATOM 657 O ASP A 40 7.381 -2.843 13.654 1.00 12.15 O ATOM 658 CB ASP A 40 7.261 -5.646 13.336 1.00 71.45 C ATOM 659 CG ASP A 40 5.963 -5.485 14.129 1.00 0.34 C ATOM 660 OD1 ASP A 40 5.656 -6.289 15.022 1.00 2.54 O ATOM 661 OD2 ASP A 40 5.242 -4.469 13.795 1.00 42.34 O ATOM 0 H ASP A 40 9.324 -5.301 11.531 1.00 73.12 H new ATOM 0 HA ASP A 40 6.447 -4.610 11.635 1.00 55.32 H new ATOM 0 HB2 ASP A 40 7.327 -6.674 12.981 1.00 71.45 H new ATOM 0 HB3 ASP A 40 8.103 -5.487 14.010 1.00 71.45 H new ATOM 667 N ILE A 41 8.883 -2.806 11.964 1.00 14.21 N ATOM 668 CA ILE A 41 9.445 -1.521 12.344 1.00 41.01 C ATOM 669 C ILE A 41 8.524 -0.401 11.855 1.00 62.33 C ATOM 670 O ILE A 41 7.691 -0.617 10.976 1.00 32.43 O ATOM 671 CB ILE A 41 10.885 -1.397 11.841 1.00 12.23 C ATOM 672 CG1 ILE A 41 10.924 -0.799 10.433 1.00 25.23 C ATOM 673 CG2 ILE A 41 11.609 -2.743 11.913 1.00 13.24 C ATOM 674 CD1 ILE A 41 12.307 -0.975 9.802 1.00 72.43 C ATOM 0 H ILE A 41 9.308 -3.231 11.140 1.00 14.21 H new ATOM 0 HA ILE A 41 9.502 -1.436 13.429 1.00 41.01 H new ATOM 0 HB ILE A 41 11.418 -0.710 12.498 1.00 12.23 H new ATOM 0 HG12 ILE A 41 10.171 -1.280 9.808 1.00 25.23 H new ATOM 0 HG13 ILE A 41 10.672 0.261 10.477 1.00 25.23 H new ATOM 0 HG21 ILE A 41 12.630 -2.627 11.550 1.00 13.24 H new ATOM 0 HG22 ILE A 41 11.629 -3.091 12.946 1.00 13.24 H new ATOM 0 HG23 ILE A 41 11.085 -3.472 11.295 1.00 13.24 H new ATOM 0 HD11 ILE A 41 12.308 -0.542 8.802 1.00 72.43 H new ATOM 0 HD12 ILE A 41 13.054 -0.472 10.416 1.00 72.43 H new ATOM 0 HD13 ILE A 41 12.545 -2.037 9.738 1.00 72.43 H new ATOM 686 N PRO A 42 8.711 0.802 12.461 1.00 75.05 N ATOM 687 CA PRO A 42 7.906 1.956 12.096 1.00 64.11 C ATOM 688 C PRO A 42 8.348 2.528 10.747 1.00 33.30 C ATOM 689 O PRO A 42 9.542 2.670 10.490 1.00 1.31 O ATOM 690 CB PRO A 42 8.083 2.937 13.243 1.00 21.03 C ATOM 691 CG PRO A 42 9.337 2.495 13.980 1.00 1.11 C ATOM 692 CD PRO A 42 9.688 1.095 13.505 1.00 70.23 C ATOM 0 HA PRO A 42 6.853 1.709 11.959 1.00 64.11 H new ATOM 0 HB2 PRO A 42 8.187 3.957 12.872 1.00 21.03 H new ATOM 0 HB3 PRO A 42 7.217 2.925 13.904 1.00 21.03 H new ATOM 0 HG2 PRO A 42 10.159 3.183 13.781 1.00 1.11 H new ATOM 0 HG3 PRO A 42 9.169 2.502 15.057 1.00 1.11 H new ATOM 0 HD2 PRO A 42 10.706 1.052 13.118 1.00 70.23 H new ATOM 0 HD3 PRO A 42 9.626 0.373 14.319 1.00 70.23 H new ATOM 700 N GLU A 43 7.360 2.840 9.921 1.00 31.30 N ATOM 701 CA GLU A 43 7.631 3.393 8.605 1.00 23.11 C ATOM 702 C GLU A 43 8.493 4.651 8.726 1.00 51.43 C ATOM 703 O GLU A 43 8.577 5.250 9.797 1.00 50.22 O ATOM 704 CB GLU A 43 6.331 3.689 7.856 1.00 74.32 C ATOM 705 CG GLU A 43 6.510 3.496 6.349 1.00 50.14 C ATOM 706 CD GLU A 43 5.196 3.743 5.604 1.00 4.21 C ATOM 707 OE1 GLU A 43 4.255 2.945 5.726 1.00 63.14 O ATOM 708 OE2 GLU A 43 5.173 4.810 4.879 1.00 31.10 O ATOM 0 H GLU A 43 6.371 2.720 10.138 1.00 31.30 H new ATOM 0 HA GLU A 43 8.183 2.652 8.027 1.00 23.11 H new ATOM 0 HB2 GLU A 43 5.540 3.032 8.219 1.00 74.32 H new ATOM 0 HB3 GLU A 43 6.014 4.712 8.060 1.00 74.32 H new ATOM 0 HG2 GLU A 43 7.275 4.179 5.980 1.00 50.14 H new ATOM 0 HG3 GLU A 43 6.862 2.484 6.148 1.00 50.14 H new ATOM 716 N ILE A 44 9.111 5.015 7.612 1.00 44.51 N ATOM 717 CA ILE A 44 9.964 6.192 7.579 1.00 35.04 C ATOM 718 C ILE A 44 9.285 7.285 6.751 1.00 1.03 C ATOM 719 O ILE A 44 8.129 7.142 6.356 1.00 63.34 O ATOM 720 CB ILE A 44 11.364 5.826 7.084 1.00 21.55 C ATOM 721 CG1 ILE A 44 11.298 5.105 5.736 1.00 1.22 C ATOM 722 CG2 ILE A 44 12.120 5.009 8.134 1.00 23.23 C ATOM 723 CD1 ILE A 44 12.685 5.008 5.098 1.00 43.31 C ATOM 0 H ILE A 44 9.038 4.516 6.725 1.00 44.51 H new ATOM 0 HA ILE A 44 10.101 6.591 8.584 1.00 35.04 H new ATOM 0 HB ILE A 44 11.924 6.748 6.929 1.00 21.55 H new ATOM 0 HG12 ILE A 44 10.887 4.105 5.874 1.00 1.22 H new ATOM 0 HG13 ILE A 44 10.622 5.638 5.067 1.00 1.22 H new ATOM 0 HG21 ILE A 44 13.112 4.762 7.757 1.00 23.23 H new ATOM 0 HG22 ILE A 44 12.215 5.592 9.050 1.00 23.23 H new ATOM 0 HG23 ILE A 44 11.572 4.090 8.344 1.00 23.23 H new ATOM 0 HD11 ILE A 44 12.610 4.491 4.141 1.00 43.31 H new ATOM 0 HD12 ILE A 44 13.083 6.010 4.939 1.00 43.31 H new ATOM 0 HD13 ILE A 44 13.351 4.453 5.759 1.00 43.31 H new ATOM 735 N ASP A 45 10.033 8.353 6.514 1.00 74.23 N ATOM 736 CA ASP A 45 9.518 9.470 5.740 1.00 72.31 C ATOM 737 C ASP A 45 9.608 9.136 4.249 1.00 12.33 C ATOM 738 O ASP A 45 8.605 9.181 3.538 1.00 23.40 O ATOM 739 CB ASP A 45 10.336 10.738 5.991 1.00 24.50 C ATOM 740 CG ASP A 45 10.126 11.382 7.362 1.00 15.43 C ATOM 741 OD1 ASP A 45 11.084 11.612 8.114 1.00 23.35 O ATOM 742 OD2 ASP A 45 8.899 11.656 7.653 1.00 31.13 O ATOM 0 H ASP A 45 10.991 8.468 6.844 1.00 74.23 H new ATOM 0 HA ASP A 45 8.485 9.642 6.042 1.00 72.31 H new ATOM 0 HB2 ASP A 45 11.393 10.499 5.877 1.00 24.50 H new ATOM 0 HB3 ASP A 45 10.090 11.469 5.221 1.00 24.50 H new ATOM 748 N LYS A 46 10.818 8.810 3.821 1.00 43.03 N ATOM 749 CA LYS A 46 11.052 8.469 2.428 1.00 43.33 C ATOM 750 C LYS A 46 12.342 7.653 2.316 1.00 13.34 C ATOM 751 O LYS A 46 13.174 7.674 3.222 1.00 34.33 O ATOM 752 CB LYS A 46 11.045 9.729 1.559 1.00 11.14 C ATOM 753 CG LYS A 46 12.305 10.565 1.795 1.00 71.42 C ATOM 754 CD LYS A 46 12.107 11.540 2.957 1.00 53.35 C ATOM 755 CE LYS A 46 11.251 12.734 2.530 1.00 53.44 C ATOM 756 NZ LYS A 46 10.828 13.518 3.712 1.00 72.11 N ATOM 0 H LYS A 46 11.647 8.775 4.414 1.00 43.03 H new ATOM 0 HA LYS A 46 10.244 7.843 2.049 1.00 43.33 H new ATOM 0 HB2 LYS A 46 10.981 9.449 0.507 1.00 11.14 H new ATOM 0 HB3 LYS A 46 10.161 10.326 1.784 1.00 11.14 H new ATOM 0 HG2 LYS A 46 13.148 9.907 2.007 1.00 71.42 H new ATOM 0 HG3 LYS A 46 12.553 11.119 0.889 1.00 71.42 H new ATOM 0 HD2 LYS A 46 11.630 11.025 3.791 1.00 53.35 H new ATOM 0 HD3 LYS A 46 13.076 11.891 3.311 1.00 53.35 H new ATOM 0 HE2 LYS A 46 11.817 13.369 1.848 1.00 53.44 H new ATOM 0 HE3 LYS A 46 10.374 12.384 1.986 1.00 53.44 H new ATOM 0 HZ1 LYS A 46 9.796 13.452 3.821 1.00 72.11 H new ATOM 0 HZ2 LYS A 46 11.291 13.140 4.563 1.00 72.11 H new ATOM 0 HZ3 LYS A 46 11.099 14.514 3.583 1.00 72.11 H new ATOM 769 N ARG A 47 12.467 6.954 1.198 1.00 43.41 N ATOM 770 CA ARG A 47 13.641 6.133 0.956 1.00 23.04 C ATOM 771 C ARG A 47 14.552 6.799 -0.077 1.00 1.53 C ATOM 772 O ARG A 47 14.281 6.744 -1.275 1.00 45.43 O ATOM 773 CB ARG A 47 13.247 4.742 0.456 1.00 31.14 C ATOM 774 CG ARG A 47 12.345 4.031 1.467 1.00 13.34 C ATOM 775 CD ARG A 47 10.902 3.963 0.962 1.00 42.01 C ATOM 776 NE ARG A 47 10.088 5.014 1.612 1.00 72.10 N ATOM 777 CZ ARG A 47 9.536 4.894 2.838 1.00 22.33 C ATOM 778 NH1 ARG A 47 9.707 3.765 3.559 1.00 43.11 N ATOM 779 NH2 ARG A 47 8.827 5.896 3.322 1.00 12.30 N ATOM 0 H ARG A 47 11.774 6.939 0.449 1.00 43.41 H new ATOM 0 HA ARG A 47 14.173 6.030 1.902 1.00 23.04 H new ATOM 0 HB2 ARG A 47 12.731 4.828 -0.500 1.00 31.14 H new ATOM 0 HB3 ARG A 47 14.143 4.147 0.282 1.00 31.14 H new ATOM 0 HG2 ARG A 47 12.719 3.023 1.647 1.00 13.34 H new ATOM 0 HG3 ARG A 47 12.376 4.558 2.421 1.00 13.34 H new ATOM 0 HD2 ARG A 47 10.880 4.092 -0.120 1.00 42.01 H new ATOM 0 HD3 ARG A 47 10.480 2.981 1.174 1.00 42.01 H new ATOM 0 HE ARG A 47 9.934 5.884 1.102 1.00 72.10 H new ATOM 0 HH11 ARG A 47 10.257 2.995 3.178 1.00 43.11 H new ATOM 0 HH12 ARG A 47 9.287 3.682 4.485 1.00 43.11 H new ATOM 0 HH21 ARG A 47 8.703 6.746 2.771 1.00 12.30 H new ATOM 0 HH22 ARG A 47 8.403 5.821 4.247 1.00 12.30 H new ATOM 792 N LYS A 48 15.613 7.414 0.426 1.00 70.13 N ATOM 793 CA LYS A 48 16.565 8.090 -0.439 1.00 2.23 C ATOM 794 C LYS A 48 17.900 8.236 0.295 1.00 14.14 C ATOM 795 O LYS A 48 18.004 8.998 1.255 1.00 1.41 O ATOM 796 CB LYS A 48 15.989 9.417 -0.936 1.00 53.31 C ATOM 797 CG LYS A 48 16.598 9.809 -2.284 1.00 30.11 C ATOM 798 CD LYS A 48 15.626 10.667 -3.096 1.00 60.04 C ATOM 799 CE LYS A 48 15.760 12.146 -2.727 1.00 71.32 C ATOM 800 NZ LYS A 48 14.749 12.953 -3.446 1.00 61.14 N ATOM 0 H LYS A 48 15.834 7.458 1.421 1.00 70.13 H new ATOM 0 HA LYS A 48 16.755 7.496 -1.333 1.00 2.23 H new ATOM 0 HB2 LYS A 48 14.906 9.334 -1.032 1.00 53.31 H new ATOM 0 HB3 LYS A 48 16.185 10.200 -0.203 1.00 53.31 H new ATOM 0 HG2 LYS A 48 17.525 10.358 -2.122 1.00 30.11 H new ATOM 0 HG3 LYS A 48 16.853 8.911 -2.847 1.00 30.11 H new ATOM 0 HD2 LYS A 48 15.821 10.535 -4.160 1.00 60.04 H new ATOM 0 HD3 LYS A 48 14.604 10.335 -2.915 1.00 60.04 H new ATOM 0 HE2 LYS A 48 15.636 12.271 -1.651 1.00 71.32 H new ATOM 0 HE3 LYS A 48 16.760 12.500 -2.976 1.00 71.32 H new ATOM 0 HZ1 LYS A 48 14.854 13.954 -3.184 1.00 61.14 H new ATOM 0 HZ2 LYS A 48 14.886 12.847 -4.472 1.00 61.14 H new ATOM 0 HZ3 LYS A 48 13.796 12.626 -3.188 1.00 61.14 H new ATOM 813 N TYR A 49 18.887 7.493 -0.184 1.00 15.31 N ATOM 814 CA TYR A 49 20.210 7.530 0.415 1.00 51.41 C ATOM 815 C TYR A 49 21.297 7.581 -0.661 1.00 1.35 C ATOM 816 O TYR A 49 21.355 6.714 -1.531 1.00 3.01 O ATOM 817 CB TYR A 49 20.352 6.228 1.205 1.00 12.23 C ATOM 818 CG TYR A 49 19.473 6.160 2.456 1.00 54.34 C ATOM 819 CD1 TYR A 49 19.645 7.078 3.471 1.00 5.44 C ATOM 820 CD2 TYR A 49 18.507 5.181 2.568 1.00 74.12 C ATOM 821 CE1 TYR A 49 18.818 7.015 4.648 1.00 20.52 C ATOM 822 CE2 TYR A 49 17.679 5.117 3.745 1.00 62.05 C ATOM 823 CZ TYR A 49 17.876 6.037 4.727 1.00 72.13 C ATOM 824 OH TYR A 49 17.094 5.977 5.838 1.00 23.41 O ATOM 0 H TYR A 49 18.797 6.862 -0.980 1.00 15.31 H new ATOM 0 HA TYR A 49 20.323 8.414 1.043 1.00 51.41 H new ATOM 0 HB2 TYR A 49 20.104 5.391 0.553 1.00 12.23 H new ATOM 0 HB3 TYR A 49 21.394 6.105 1.499 1.00 12.23 H new ATOM 0 HD1 TYR A 49 20.401 7.845 3.383 1.00 5.44 H new ATOM 0 HD2 TYR A 49 18.372 4.463 1.773 1.00 74.12 H new ATOM 0 HE1 TYR A 49 18.943 7.728 5.450 1.00 20.52 H new ATOM 0 HE2 TYR A 49 16.919 4.356 3.845 1.00 62.05 H new ATOM 0 HH TYR A 49 16.322 5.400 5.664 1.00 23.41 H new ATOM 834 N LEU A 50 22.132 8.606 -0.565 1.00 75.12 N ATOM 835 CA LEU A 50 23.214 8.781 -1.519 1.00 54.30 C ATOM 836 C LEU A 50 24.549 8.499 -0.827 1.00 35.11 C ATOM 837 O LEU A 50 25.068 9.347 -0.103 1.00 31.33 O ATOM 838 CB LEU A 50 23.137 10.165 -2.167 1.00 45.12 C ATOM 839 CG LEU A 50 22.329 10.255 -3.463 1.00 42.22 C ATOM 840 CD1 LEU A 50 21.834 11.683 -3.702 1.00 60.13 C ATOM 841 CD2 LEU A 50 23.134 9.721 -4.650 1.00 3.43 C ATOM 0 H LEU A 50 22.081 9.323 0.158 1.00 75.12 H new ATOM 0 HA LEU A 50 23.121 8.066 -2.336 1.00 54.30 H new ATOM 0 HB2 LEU A 50 22.707 10.859 -1.445 1.00 45.12 H new ATOM 0 HB3 LEU A 50 24.152 10.506 -2.371 1.00 45.12 H new ATOM 0 HG LEU A 50 21.448 9.621 -3.361 1.00 42.22 H new ATOM 0 HD11 LEU A 50 21.263 11.720 -4.630 1.00 60.13 H new ATOM 0 HD12 LEU A 50 21.199 11.992 -2.872 1.00 60.13 H new ATOM 0 HD13 LEU A 50 22.688 12.357 -3.775 1.00 60.13 H new ATOM 0 HD21 LEU A 50 22.536 9.797 -5.558 1.00 3.43 H new ATOM 0 HD22 LEU A 50 24.045 10.308 -4.765 1.00 3.43 H new ATOM 0 HD23 LEU A 50 23.395 8.678 -4.473 1.00 3.43 H new ATOM 853 N VAL A 51 25.066 7.304 -1.074 1.00 52.51 N ATOM 854 CA VAL A 51 26.330 6.900 -0.484 1.00 23.33 C ATOM 855 C VAL A 51 27.401 6.840 -1.575 1.00 25.35 C ATOM 856 O VAL A 51 27.091 6.610 -2.742 1.00 41.24 O ATOM 857 CB VAL A 51 26.160 5.574 0.260 1.00 32.34 C ATOM 858 CG1 VAL A 51 25.934 5.809 1.755 1.00 33.11 C ATOM 859 CG2 VAL A 51 25.021 4.749 -0.343 1.00 65.34 C ATOM 0 H VAL A 51 24.632 6.603 -1.675 1.00 52.51 H new ATOM 0 HA VAL A 51 26.658 7.632 0.254 1.00 23.33 H new ATOM 0 HB VAL A 51 27.083 5.005 0.146 1.00 32.34 H new ATOM 0 HG11 VAL A 51 25.816 4.850 2.260 1.00 33.11 H new ATOM 0 HG12 VAL A 51 26.791 6.337 2.174 1.00 33.11 H new ATOM 0 HG13 VAL A 51 25.034 6.407 1.897 1.00 33.11 H new ATOM 0 HG21 VAL A 51 24.921 3.812 0.204 1.00 65.34 H new ATOM 0 HG22 VAL A 51 24.089 5.310 -0.274 1.00 65.34 H new ATOM 0 HG23 VAL A 51 25.240 4.537 -1.389 1.00 65.34 H new ATOM 869 N PRO A 52 28.673 7.056 -1.144 1.00 22.33 N ATOM 870 CA PRO A 52 29.792 7.028 -2.070 1.00 41.43 C ATOM 871 C PRO A 52 30.135 5.593 -2.473 1.00 65.13 C ATOM 872 O PRO A 52 29.578 4.641 -1.929 1.00 54.32 O ATOM 873 CB PRO A 52 30.926 7.727 -1.338 1.00 41.44 C ATOM 874 CG PRO A 52 30.548 7.706 0.134 1.00 53.43 C ATOM 875 CD PRO A 52 29.078 7.331 0.232 1.00 62.52 C ATOM 0 HA PRO A 52 29.572 7.533 -3.011 1.00 41.43 H new ATOM 0 HB2 PRO A 52 31.873 7.214 -1.505 1.00 41.44 H new ATOM 0 HB3 PRO A 52 31.050 8.749 -1.695 1.00 41.44 H new ATOM 0 HG2 PRO A 52 31.162 6.987 0.676 1.00 53.43 H new ATOM 0 HG3 PRO A 52 30.724 8.681 0.587 1.00 53.43 H new ATOM 0 HD2 PRO A 52 28.934 6.459 0.869 1.00 62.52 H new ATOM 0 HD3 PRO A 52 28.490 8.141 0.663 1.00 62.52 H new ATOM 883 N ALA A 53 31.052 5.482 -3.423 1.00 41.25 N ATOM 884 CA ALA A 53 31.477 4.179 -3.906 1.00 33.14 C ATOM 885 C ALA A 53 32.648 3.682 -3.056 1.00 2.41 C ATOM 886 O ALA A 53 33.377 2.779 -3.464 1.00 52.30 O ATOM 887 CB ALA A 53 31.833 4.275 -5.390 1.00 73.25 C ATOM 0 H ALA A 53 31.513 6.274 -3.871 1.00 41.25 H new ATOM 0 HA ALA A 53 30.670 3.453 -3.812 1.00 33.14 H new ATOM 0 HB1 ALA A 53 32.152 3.297 -5.752 1.00 73.25 H new ATOM 0 HB2 ALA A 53 30.959 4.603 -5.953 1.00 73.25 H new ATOM 0 HB3 ALA A 53 32.642 4.993 -5.524 1.00 73.25 H new ATOM 893 N ASP A 54 32.793 4.295 -1.890 1.00 21.51 N ATOM 894 CA ASP A 54 33.864 3.926 -0.979 1.00 52.12 C ATOM 895 C ASP A 54 33.267 3.560 0.381 1.00 0.53 C ATOM 896 O ASP A 54 33.998 3.250 1.321 1.00 50.14 O ATOM 897 CB ASP A 54 34.835 5.090 -0.772 1.00 24.41 C ATOM 898 CG ASP A 54 35.843 5.300 -1.904 1.00 10.21 C ATOM 899 OD1 ASP A 54 35.586 6.051 -2.857 1.00 14.04 O ATOM 900 OD2 ASP A 54 36.948 4.646 -1.779 1.00 73.10 O ATOM 0 H ASP A 54 32.187 5.044 -1.555 1.00 21.51 H new ATOM 0 HA ASP A 54 34.400 3.082 -1.412 1.00 52.12 H new ATOM 0 HB2 ASP A 54 34.258 6.006 -0.644 1.00 24.41 H new ATOM 0 HB3 ASP A 54 35.383 4.926 0.156 1.00 24.41 H new ATOM 906 N LEU A 55 31.944 3.609 0.444 1.00 45.30 N ATOM 907 CA LEU A 55 31.241 3.287 1.674 1.00 41.01 C ATOM 908 C LEU A 55 30.876 1.801 1.673 1.00 12.32 C ATOM 909 O LEU A 55 30.733 1.194 0.613 1.00 14.10 O ATOM 910 CB LEU A 55 30.040 4.216 1.863 1.00 31.52 C ATOM 911 CG LEU A 55 29.047 3.813 2.955 1.00 12.35 C ATOM 912 CD1 LEU A 55 28.414 5.047 3.603 1.00 63.14 C ATOM 913 CD2 LEU A 55 27.993 2.848 2.410 1.00 55.24 C ATOM 0 H LEU A 55 31.341 3.867 -0.337 1.00 45.30 H new ATOM 0 HA LEU A 55 31.885 3.457 2.537 1.00 41.01 H new ATOM 0 HB2 LEU A 55 30.411 5.216 2.088 1.00 31.52 H new ATOM 0 HB3 LEU A 55 29.503 4.280 0.917 1.00 31.52 H new ATOM 0 HG LEU A 55 29.594 3.284 3.735 1.00 12.35 H new ATOM 0 HD11 LEU A 55 27.712 4.733 4.376 1.00 63.14 H new ATOM 0 HD12 LEU A 55 29.194 5.664 4.050 1.00 63.14 H new ATOM 0 HD13 LEU A 55 27.885 5.625 2.845 1.00 63.14 H new ATOM 0 HD21 LEU A 55 27.300 2.578 3.207 1.00 55.24 H new ATOM 0 HD22 LEU A 55 27.444 3.328 1.600 1.00 55.24 H new ATOM 0 HD23 LEU A 55 28.482 1.949 2.034 1.00 55.24 H new ATOM 925 N THR A 56 30.736 1.259 2.874 1.00 74.54 N ATOM 926 CA THR A 56 30.390 -0.145 3.025 1.00 52.42 C ATOM 927 C THR A 56 28.901 -0.296 3.344 1.00 41.43 C ATOM 928 O THR A 56 28.256 0.656 3.781 1.00 45.52 O ATOM 929 CB THR A 56 31.304 -0.744 4.095 1.00 62.31 C ATOM 930 OG1 THR A 56 30.754 -0.277 5.323 1.00 31.14 O ATOM 931 CG2 THR A 56 32.712 -0.145 4.065 1.00 13.23 C ATOM 0 H THR A 56 30.856 1.766 3.751 1.00 74.54 H new ATOM 0 HA THR A 56 30.549 -0.694 2.097 1.00 52.42 H new ATOM 0 HB THR A 56 31.366 -1.823 3.956 1.00 62.31 H new ATOM 0 HG1 THR A 56 31.468 0.099 5.879 1.00 31.14 H new ATOM 0 HG21 THR A 56 33.320 -0.605 4.844 1.00 13.23 H new ATOM 0 HG22 THR A 56 33.167 -0.333 3.092 1.00 13.23 H new ATOM 0 HG23 THR A 56 32.654 0.930 4.237 1.00 13.23 H new ATOM 939 N VAL A 57 28.398 -1.499 3.113 1.00 63.44 N ATOM 940 CA VAL A 57 26.997 -1.787 3.370 1.00 65.43 C ATOM 941 C VAL A 57 26.672 -1.454 4.827 1.00 52.51 C ATOM 942 O VAL A 57 25.725 -0.718 5.102 1.00 21.03 O ATOM 943 CB VAL A 57 26.686 -3.241 3.005 1.00 5.54 C ATOM 944 CG1 VAL A 57 25.280 -3.632 3.464 1.00 43.20 C ATOM 945 CG2 VAL A 57 26.860 -3.478 1.504 1.00 31.50 C ATOM 0 H VAL A 57 28.936 -2.286 2.750 1.00 63.44 H new ATOM 0 HA VAL A 57 26.358 -1.165 2.744 1.00 65.43 H new ATOM 0 HB VAL A 57 27.398 -3.879 3.529 1.00 5.54 H new ATOM 0 HG11 VAL A 57 25.084 -4.669 3.193 1.00 43.20 H new ATOM 0 HG12 VAL A 57 25.206 -3.520 4.546 1.00 43.20 H new ATOM 0 HG13 VAL A 57 24.547 -2.986 2.981 1.00 43.20 H new ATOM 0 HG21 VAL A 57 26.633 -4.518 1.271 1.00 31.50 H new ATOM 0 HG22 VAL A 57 26.183 -2.827 0.952 1.00 31.50 H new ATOM 0 HG23 VAL A 57 27.889 -3.258 1.218 1.00 31.50 H new ATOM 955 N GLY A 58 27.475 -2.010 5.722 1.00 74.32 N ATOM 956 CA GLY A 58 27.284 -1.781 7.144 1.00 53.22 C ATOM 957 C GLY A 58 26.922 -0.320 7.420 1.00 42.11 C ATOM 958 O GLY A 58 26.036 -0.037 8.225 1.00 71.44 O ATOM 0 H GLY A 58 28.260 -2.619 5.490 1.00 74.32 H new ATOM 0 HA2 GLY A 58 26.494 -2.432 7.518 1.00 53.22 H new ATOM 0 HA3 GLY A 58 28.194 -2.042 7.684 1.00 53.22 H new ATOM 962 N GLN A 59 27.627 0.570 6.737 1.00 62.01 N ATOM 963 CA GLN A 59 27.392 1.995 6.898 1.00 33.34 C ATOM 964 C GLN A 59 25.932 2.330 6.586 1.00 41.32 C ATOM 965 O GLN A 59 25.302 3.105 7.304 1.00 41.21 O ATOM 966 CB GLN A 59 28.342 2.811 6.020 1.00 61.52 C ATOM 967 CG GLN A 59 29.794 2.627 6.465 1.00 23.31 C ATOM 968 CD GLN A 59 30.614 3.890 6.197 1.00 41.40 C ATOM 969 OE1 GLN A 59 31.230 4.053 5.157 1.00 64.44 O ATOM 970 NE2 GLN A 59 30.587 4.774 7.191 1.00 61.22 N ATOM 0 H GLN A 59 28.361 0.332 6.071 1.00 62.01 H new ATOM 0 HA GLN A 59 27.592 2.261 7.936 1.00 33.34 H new ATOM 0 HB2 GLN A 59 28.235 2.504 4.980 1.00 61.52 H new ATOM 0 HB3 GLN A 59 28.073 3.866 6.070 1.00 61.52 H new ATOM 0 HG2 GLN A 59 29.825 2.388 7.528 1.00 23.31 H new ATOM 0 HG3 GLN A 59 30.236 1.783 5.936 1.00 23.31 H new ATOM 0 HE21 GLN A 59 30.051 4.575 8.036 1.00 61.22 H new ATOM 0 HE22 GLN A 59 31.102 5.650 7.108 1.00 61.22 H new ATOM 979 N PHE A 60 25.437 1.730 5.513 1.00 12.34 N ATOM 980 CA PHE A 60 24.063 1.956 5.097 1.00 21.20 C ATOM 981 C PHE A 60 23.081 1.507 6.181 1.00 72.22 C ATOM 982 O PHE A 60 22.285 2.306 6.672 1.00 24.14 O ATOM 983 CB PHE A 60 23.834 1.117 3.838 1.00 32.13 C ATOM 984 CG PHE A 60 22.471 1.341 3.181 1.00 54.22 C ATOM 985 CD1 PHE A 60 22.030 2.606 2.943 1.00 63.13 C ATOM 986 CD2 PHE A 60 21.699 0.276 2.835 1.00 41.25 C ATOM 987 CE1 PHE A 60 20.765 2.814 2.332 1.00 2.15 C ATOM 988 CE2 PHE A 60 20.434 0.484 2.224 1.00 12.44 C ATOM 989 CZ PHE A 60 19.994 1.749 1.986 1.00 34.02 C ATOM 0 H PHE A 60 25.963 1.088 4.920 1.00 12.34 H new ATOM 0 HA PHE A 60 23.899 3.018 4.914 1.00 21.20 H new ATOM 0 HB2 PHE A 60 24.617 1.345 3.114 1.00 32.13 H new ATOM 0 HB3 PHE A 60 23.934 0.062 4.094 1.00 32.13 H new ATOM 0 HD1 PHE A 60 22.642 3.452 3.219 1.00 63.13 H new ATOM 0 HD2 PHE A 60 22.048 -0.728 3.025 1.00 41.25 H new ATOM 0 HE1 PHE A 60 20.415 3.818 2.142 1.00 2.15 H new ATOM 0 HE2 PHE A 60 19.822 -0.362 1.948 1.00 12.44 H new ATOM 0 HZ PHE A 60 19.032 1.907 1.522 1.00 34.02 H new ATOM 999 N VAL A 61 23.169 0.229 6.522 1.00 54.45 N ATOM 1000 CA VAL A 61 22.297 -0.336 7.538 1.00 5.51 C ATOM 1001 C VAL A 61 22.140 0.667 8.683 1.00 52.10 C ATOM 1002 O VAL A 61 21.106 0.698 9.348 1.00 34.52 O ATOM 1003 CB VAL A 61 22.841 -1.689 8.000 1.00 60.35 C ATOM 1004 CG1 VAL A 61 21.846 -2.393 8.924 1.00 73.53 C ATOM 1005 CG2 VAL A 61 23.198 -2.573 6.803 1.00 64.21 C ATOM 0 H VAL A 61 23.831 -0.431 6.113 1.00 54.45 H new ATOM 0 HA VAL A 61 21.304 -0.522 7.129 1.00 5.51 H new ATOM 0 HB VAL A 61 23.754 -1.508 8.567 1.00 60.35 H new ATOM 0 HG11 VAL A 61 22.257 -3.352 9.238 1.00 73.53 H new ATOM 0 HG12 VAL A 61 21.662 -1.772 9.801 1.00 73.53 H new ATOM 0 HG13 VAL A 61 20.909 -2.557 8.392 1.00 73.53 H new ATOM 0 HG21 VAL A 61 23.582 -3.529 7.159 1.00 64.21 H new ATOM 0 HG22 VAL A 61 22.308 -2.742 6.197 1.00 64.21 H new ATOM 0 HG23 VAL A 61 23.959 -2.078 6.199 1.00 64.21 H new ATOM 1015 N TYR A 62 23.181 1.463 8.878 1.00 51.04 N ATOM 1016 CA TYR A 62 23.171 2.464 9.931 1.00 40.35 C ATOM 1017 C TYR A 62 22.343 3.683 9.520 1.00 14.42 C ATOM 1018 O TYR A 62 21.499 4.151 10.284 1.00 5.11 O ATOM 1019 CB TYR A 62 24.628 2.892 10.119 1.00 53.51 C ATOM 1020 CG TYR A 62 24.944 3.424 11.518 1.00 11.51 C ATOM 1021 CD1 TYR A 62 24.751 4.760 11.808 1.00 4.14 C ATOM 1022 CD2 TYR A 62 25.422 2.569 12.490 1.00 54.10 C ATOM 1023 CE1 TYR A 62 25.049 5.261 13.125 1.00 20.23 C ATOM 1024 CE2 TYR A 62 25.719 3.070 13.807 1.00 62.21 C ATOM 1025 CZ TYR A 62 25.518 4.391 14.060 1.00 62.14 C ATOM 1026 OH TYR A 62 25.799 4.864 15.303 1.00 22.13 O ATOM 0 H TYR A 62 24.037 1.435 8.324 1.00 51.04 H new ATOM 0 HA TYR A 62 22.733 2.058 10.843 1.00 40.35 H new ATOM 0 HB2 TYR A 62 25.276 2.041 9.910 1.00 53.51 H new ATOM 0 HB3 TYR A 62 24.867 3.662 9.386 1.00 53.51 H new ATOM 0 HD1 TYR A 62 24.377 5.429 11.047 1.00 4.14 H new ATOM 0 HD2 TYR A 62 25.573 1.524 12.263 1.00 54.10 H new ATOM 0 HE1 TYR A 62 24.903 6.304 13.365 1.00 20.23 H new ATOM 0 HE2 TYR A 62 26.093 2.411 14.577 1.00 62.21 H new ATOM 0 HH TYR A 62 26.124 4.131 15.866 1.00 22.13 H new ATOM 1036 N VAL A 63 22.612 4.163 8.315 1.00 54.31 N ATOM 1037 CA VAL A 63 21.901 5.319 7.794 1.00 65.02 C ATOM 1038 C VAL A 63 20.403 5.150 8.050 1.00 33.45 C ATOM 1039 O VAL A 63 19.736 6.083 8.494 1.00 52.20 O ATOM 1040 CB VAL A 63 22.236 5.515 6.314 1.00 41.32 C ATOM 1041 CG1 VAL A 63 21.164 4.888 5.421 1.00 34.33 C ATOM 1042 CG2 VAL A 63 22.424 6.998 5.986 1.00 34.11 C ATOM 0 H VAL A 63 23.312 3.773 7.684 1.00 54.31 H new ATOM 0 HA VAL A 63 22.218 6.226 8.309 1.00 65.02 H new ATOM 0 HB VAL A 63 23.178 5.005 6.114 1.00 41.32 H new ATOM 0 HG11 VAL A 63 21.427 5.042 4.374 1.00 34.33 H new ATOM 0 HG12 VAL A 63 21.099 3.819 5.626 1.00 34.33 H new ATOM 0 HG13 VAL A 63 20.201 5.356 5.626 1.00 34.33 H new ATOM 0 HG21 VAL A 63 22.661 7.109 4.928 1.00 34.11 H new ATOM 0 HG22 VAL A 63 21.505 7.540 6.211 1.00 34.11 H new ATOM 0 HG23 VAL A 63 23.240 7.403 6.585 1.00 34.11 H new ATOM 1052 N ILE A 64 19.917 3.952 7.761 1.00 71.54 N ATOM 1053 CA ILE A 64 18.509 3.648 7.954 1.00 22.25 C ATOM 1054 C ILE A 64 18.173 3.739 9.444 1.00 13.22 C ATOM 1055 O ILE A 64 17.220 4.416 9.829 1.00 63.03 O ATOM 1056 CB ILE A 64 18.161 2.296 7.327 1.00 4.32 C ATOM 1057 CG1 ILE A 64 17.901 2.439 5.826 1.00 3.32 C ATOM 1058 CG2 ILE A 64 16.984 1.642 8.053 1.00 23.31 C ATOM 1059 CD1 ILE A 64 19.208 2.366 5.034 1.00 61.01 C ATOM 0 H ILE A 64 20.473 3.180 7.394 1.00 71.54 H new ATOM 0 HA ILE A 64 17.887 4.381 7.440 1.00 22.25 H new ATOM 0 HB ILE A 64 19.019 1.634 7.444 1.00 4.32 H new ATOM 0 HG12 ILE A 64 17.226 1.651 5.494 1.00 3.32 H new ATOM 0 HG13 ILE A 64 17.404 3.389 5.628 1.00 3.32 H new ATOM 0 HG21 ILE A 64 16.757 0.683 7.588 1.00 23.31 H new ATOM 0 HG22 ILE A 64 17.244 1.485 9.100 1.00 23.31 H new ATOM 0 HG23 ILE A 64 16.111 2.292 7.989 1.00 23.31 H new ATOM 0 HD11 ILE A 64 18.995 2.470 3.970 1.00 61.01 H new ATOM 0 HD12 ILE A 64 19.871 3.170 5.352 1.00 61.01 H new ATOM 0 HD13 ILE A 64 19.690 1.405 5.215 1.00 61.01 H new ATOM 1071 N ARG A 65 18.973 3.048 10.242 1.00 0.14 N ATOM 1072 CA ARG A 65 18.772 3.043 11.681 1.00 30.35 C ATOM 1073 C ARG A 65 18.534 4.466 12.190 1.00 42.14 C ATOM 1074 O ARG A 65 17.918 4.661 13.236 1.00 21.42 O ATOM 1075 CB ARG A 65 19.981 2.446 12.404 1.00 22.13 C ATOM 1076 CG ARG A 65 19.802 2.515 13.922 1.00 11.22 C ATOM 1077 CD ARG A 65 20.549 1.374 14.615 1.00 30.12 C ATOM 1078 NE ARG A 65 21.948 1.774 14.883 1.00 44.10 N ATOM 1079 CZ ARG A 65 22.728 1.213 15.832 1.00 14.21 C ATOM 1080 NH1 ARG A 65 22.249 0.222 16.613 1.00 23.53 N ATOM 1081 NH2 ARG A 65 23.964 1.649 15.985 1.00 42.12 N ATOM 0 H ARG A 65 19.762 2.488 9.920 1.00 0.14 H new ATOM 0 HA ARG A 65 17.897 2.428 11.891 1.00 30.35 H new ATOM 0 HB2 ARG A 65 20.117 1.409 12.097 1.00 22.13 H new ATOM 0 HB3 ARG A 65 20.884 2.985 12.116 1.00 22.13 H new ATOM 0 HG2 ARG A 65 20.169 3.472 14.292 1.00 11.22 H new ATOM 0 HG3 ARG A 65 18.742 2.463 14.169 1.00 11.22 H new ATOM 0 HD2 ARG A 65 20.050 1.117 15.549 1.00 30.12 H new ATOM 0 HD3 ARG A 65 20.531 0.483 13.988 1.00 30.12 H new ATOM 0 HE ARG A 65 22.349 2.521 14.315 1.00 44.10 H new ATOM 0 HH11 ARG A 65 21.292 -0.108 16.489 1.00 23.53 H new ATOM 0 HH12 ARG A 65 22.844 -0.197 17.328 1.00 23.53 H new ATOM 0 HH21 ARG A 65 24.317 2.399 15.391 1.00 42.12 H new ATOM 0 HH22 ARG A 65 24.566 1.236 16.697 1.00 42.12 H new ATOM 1094 N LYS A 66 19.035 5.425 11.425 1.00 64.24 N ATOM 1095 CA LYS A 66 18.885 6.825 11.784 1.00 22.42 C ATOM 1096 C LYS A 66 17.486 7.301 11.388 1.00 44.32 C ATOM 1097 O LYS A 66 16.772 7.885 12.201 1.00 10.03 O ATOM 1098 CB LYS A 66 20.015 7.658 11.175 1.00 15.34 C ATOM 1099 CG LYS A 66 21.139 7.881 12.189 1.00 64.55 C ATOM 1100 CD LYS A 66 22.028 6.640 12.302 1.00 33.03 C ATOM 1101 CE LYS A 66 21.652 5.808 13.530 1.00 62.51 C ATOM 1102 NZ LYS A 66 22.226 6.405 14.756 1.00 24.44 N ATOM 0 H LYS A 66 19.545 5.260 10.558 1.00 64.24 H new ATOM 0 HA LYS A 66 18.972 6.954 12.863 1.00 22.42 H new ATOM 0 HB2 LYS A 66 20.410 7.152 10.294 1.00 15.34 H new ATOM 0 HB3 LYS A 66 19.624 8.620 10.842 1.00 15.34 H new ATOM 0 HG2 LYS A 66 21.741 8.738 11.888 1.00 64.55 H new ATOM 0 HG3 LYS A 66 20.713 8.118 13.164 1.00 64.55 H new ATOM 0 HD2 LYS A 66 21.928 6.033 11.402 1.00 33.03 H new ATOM 0 HD3 LYS A 66 23.073 6.942 12.368 1.00 33.03 H new ATOM 0 HE2 LYS A 66 20.567 5.751 13.620 1.00 62.51 H new ATOM 0 HE3 LYS A 66 22.016 4.788 13.411 1.00 62.51 H new ATOM 0 HZ1 LYS A 66 21.852 5.910 15.591 1.00 24.44 H new ATOM 0 HZ2 LYS A 66 23.262 6.314 14.734 1.00 24.44 H new ATOM 0 HZ3 LYS A 66 21.968 7.411 14.806 1.00 24.44 H new ATOM 1115 N ARG A 67 17.137 7.035 10.138 1.00 64.32 N ATOM 1116 CA ARG A 67 15.837 7.429 9.624 1.00 52.13 C ATOM 1117 C ARG A 67 14.724 6.887 10.523 1.00 71.34 C ATOM 1118 O ARG A 67 13.647 7.475 10.607 1.00 2.42 O ATOM 1119 CB ARG A 67 15.629 6.913 8.198 1.00 14.44 C ATOM 1120 CG ARG A 67 15.901 8.014 7.172 1.00 43.54 C ATOM 1121 CD ARG A 67 15.070 9.263 7.473 1.00 50.22 C ATOM 1122 NE ARG A 67 14.806 10.009 6.222 1.00 2.43 N ATOM 1123 CZ ARG A 67 15.702 10.823 5.623 1.00 33.21 C ATOM 1124 NH1 ARG A 67 16.929 11.002 6.156 1.00 31.24 N ATOM 1125 NH2 ARG A 67 15.359 11.441 4.508 1.00 63.51 N ATOM 0 H ARG A 67 17.732 6.551 9.466 1.00 64.32 H new ATOM 0 HA ARG A 67 15.801 8.518 9.613 1.00 52.13 H new ATOM 0 HB2 ARG A 67 16.291 6.067 8.013 1.00 14.44 H new ATOM 0 HB3 ARG A 67 14.608 6.549 8.084 1.00 14.44 H new ATOM 0 HG2 ARG A 67 16.961 8.268 7.179 1.00 43.54 H new ATOM 0 HG3 ARG A 67 15.667 7.650 6.172 1.00 43.54 H new ATOM 0 HD2 ARG A 67 14.128 8.979 7.942 1.00 50.22 H new ATOM 0 HD3 ARG A 67 15.600 9.900 8.181 1.00 50.22 H new ATOM 0 HE ARG A 67 13.891 9.902 5.785 1.00 2.43 H new ATOM 0 HH11 ARG A 67 17.186 10.521 7.018 1.00 31.24 H new ATOM 0 HH12 ARG A 67 17.599 11.619 5.697 1.00 31.24 H new ATOM 0 HH21 ARG A 67 14.430 11.300 4.112 1.00 63.51 H new ATOM 0 HH22 ARG A 67 16.023 12.059 4.043 1.00 63.51 H new ATOM 1138 N ILE A 68 15.022 5.771 11.171 1.00 31.43 N ATOM 1139 CA ILE A 68 14.060 5.142 12.061 1.00 50.23 C ATOM 1140 C ILE A 68 14.495 5.360 13.511 1.00 23.33 C ATOM 1141 O ILE A 68 13.714 5.144 14.437 1.00 62.24 O ATOM 1142 CB ILE A 68 13.869 3.670 11.690 1.00 44.10 C ATOM 1143 CG1 ILE A 68 15.159 3.077 11.119 1.00 41.23 C ATOM 1144 CG2 ILE A 68 12.686 3.494 10.736 1.00 31.45 C ATOM 1145 CD1 ILE A 68 15.129 1.548 11.169 1.00 51.30 C ATOM 0 H ILE A 68 15.916 5.286 11.098 1.00 31.43 H new ATOM 0 HA ILE A 68 13.079 5.604 11.950 1.00 50.23 H new ATOM 0 HB ILE A 68 13.635 3.116 12.599 1.00 44.10 H new ATOM 0 HG12 ILE A 68 15.291 3.408 10.089 1.00 41.23 H new ATOM 0 HG13 ILE A 68 16.015 3.446 11.684 1.00 41.23 H new ATOM 0 HG21 ILE A 68 12.572 2.439 10.488 1.00 31.45 H new ATOM 0 HG22 ILE A 68 11.776 3.854 11.215 1.00 31.45 H new ATOM 0 HG23 ILE A 68 12.866 4.063 9.824 1.00 31.45 H new ATOM 0 HD11 ILE A 68 16.057 1.152 10.757 1.00 51.30 H new ATOM 0 HD12 ILE A 68 15.022 1.220 12.203 1.00 51.30 H new ATOM 0 HD13 ILE A 68 14.287 1.181 10.582 1.00 51.30 H new ATOM 1157 N MET A 69 15.741 5.784 13.664 1.00 11.43 N ATOM 1158 CA MET A 69 16.290 6.033 14.987 1.00 54.54 C ATOM 1159 C MET A 69 15.885 4.929 15.965 1.00 20.01 C ATOM 1160 O MET A 69 15.447 5.212 17.079 1.00 34.40 O ATOM 1161 CB MET A 69 15.786 7.383 15.503 1.00 73.34 C ATOM 1162 CG MET A 69 14.260 7.388 15.625 1.00 25.00 C ATOM 1163 SD MET A 69 13.723 8.849 16.498 1.00 41.43 S ATOM 1164 CE MET A 69 14.327 10.112 15.389 1.00 31.25 C ATOM 0 H MET A 69 16.386 5.961 12.894 1.00 11.43 H new ATOM 0 HA MET A 69 17.377 6.045 14.913 1.00 54.54 H new ATOM 0 HB2 MET A 69 16.233 7.595 16.474 1.00 73.34 H new ATOM 0 HB3 MET A 69 16.103 8.176 14.826 1.00 73.34 H new ATOM 0 HG2 MET A 69 13.808 7.360 14.634 1.00 25.00 H new ATOM 0 HG3 MET A 69 13.926 6.495 16.154 1.00 25.00 H new ATOM 0 HE1 MET A 69 13.793 11.044 15.573 1.00 31.25 H new ATOM 0 HE2 MET A 69 15.393 10.265 15.558 1.00 31.25 H new ATOM 0 HE3 MET A 69 14.164 9.799 14.358 1.00 31.25 H new ATOM 1174 N LEU A 70 16.047 3.694 15.513 1.00 34.04 N ATOM 1175 CA LEU A 70 15.704 2.546 16.335 1.00 33.31 C ATOM 1176 C LEU A 70 16.618 2.510 17.561 1.00 24.11 C ATOM 1177 O LEU A 70 17.645 3.187 17.594 1.00 13.13 O ATOM 1178 CB LEU A 70 15.739 1.262 15.504 1.00 63.05 C ATOM 1179 CG LEU A 70 14.382 0.630 15.186 1.00 3.52 C ATOM 1180 CD1 LEU A 70 13.316 1.705 14.965 1.00 31.12 C ATOM 1181 CD2 LEU A 70 14.487 -0.326 13.997 1.00 64.13 C ATOM 0 H LEU A 70 16.411 3.463 14.589 1.00 34.04 H new ATOM 0 HA LEU A 70 14.681 2.633 16.702 1.00 33.31 H new ATOM 0 HB2 LEU A 70 16.247 1.475 14.564 1.00 63.05 H new ATOM 0 HB3 LEU A 70 16.345 0.527 16.034 1.00 63.05 H new ATOM 0 HG LEU A 70 14.070 0.039 16.047 1.00 3.52 H new ATOM 0 HD11 LEU A 70 12.361 1.230 14.741 1.00 31.12 H new ATOM 0 HD12 LEU A 70 13.217 2.310 15.866 1.00 31.12 H new ATOM 0 HD13 LEU A 70 13.609 2.342 14.130 1.00 31.12 H new ATOM 0 HD21 LEU A 70 13.509 -0.761 13.793 1.00 64.13 H new ATOM 0 HD22 LEU A 70 14.831 0.221 13.119 1.00 64.13 H new ATOM 0 HD23 LEU A 70 15.196 -1.120 14.230 1.00 64.13 H new ATOM 1193 N PRO A 71 16.203 1.692 18.565 1.00 74.22 N ATOM 1194 CA PRO A 71 16.973 1.559 19.790 1.00 71.25 C ATOM 1195 C PRO A 71 18.221 0.703 19.562 1.00 12.13 C ATOM 1196 O PRO A 71 18.346 0.044 18.532 1.00 64.42 O ATOM 1197 CB PRO A 71 16.010 0.950 20.796 1.00 61.23 C ATOM 1198 CG PRO A 71 14.885 0.337 19.978 1.00 62.54 C ATOM 1199 CD PRO A 71 14.993 0.875 18.560 1.00 34.13 C ATOM 0 HA PRO A 71 17.355 2.513 20.153 1.00 71.25 H new ATOM 0 HB2 PRO A 71 16.507 0.194 21.404 1.00 61.23 H new ATOM 0 HB3 PRO A 71 15.628 1.708 21.479 1.00 61.23 H new ATOM 0 HG2 PRO A 71 14.960 -0.750 19.980 1.00 62.54 H new ATOM 0 HG3 PRO A 71 13.917 0.591 20.410 1.00 62.54 H new ATOM 0 HD2 PRO A 71 15.065 0.065 17.834 1.00 34.13 H new ATOM 0 HD3 PRO A 71 14.117 1.466 18.293 1.00 34.13 H new ATOM 1207 N PRO A 72 19.136 0.743 20.568 1.00 75.51 N ATOM 1208 CA PRO A 72 20.369 -0.021 20.488 1.00 70.30 C ATOM 1209 C PRO A 72 20.110 -1.509 20.735 1.00 11.23 C ATOM 1210 O PRO A 72 21.037 -2.317 20.710 1.00 1.31 O ATOM 1211 CB PRO A 72 21.286 0.603 21.527 1.00 62.20 C ATOM 1212 CG PRO A 72 20.381 1.383 22.467 1.00 24.41 C ATOM 1213 CD PRO A 72 19.020 1.512 21.803 1.00 3.41 C ATOM 0 HA PRO A 72 20.825 0.018 19.499 1.00 70.30 H new ATOM 0 HB2 PRO A 72 21.843 -0.163 22.067 1.00 62.20 H new ATOM 0 HB3 PRO A 72 22.019 1.259 21.057 1.00 62.20 H new ATOM 0 HG2 PRO A 72 20.292 0.870 23.424 1.00 24.41 H new ATOM 0 HG3 PRO A 72 20.801 2.368 22.671 1.00 24.41 H new ATOM 0 HD2 PRO A 72 18.229 1.119 22.442 1.00 3.41 H new ATOM 0 HD3 PRO A 72 18.776 2.555 21.599 1.00 3.41 H new ATOM 1221 N GLU A 73 18.845 -1.826 20.969 1.00 53.54 N ATOM 1222 CA GLU A 73 18.452 -3.202 21.220 1.00 11.31 C ATOM 1223 C GLU A 73 17.968 -3.861 19.927 1.00 44.54 C ATOM 1224 O GLU A 73 18.213 -5.044 19.700 1.00 62.42 O ATOM 1225 CB GLU A 73 17.378 -3.275 22.307 1.00 21.34 C ATOM 1226 CG GLU A 73 17.617 -2.218 23.387 1.00 42.53 C ATOM 1227 CD GLU A 73 16.624 -2.376 24.539 1.00 33.15 C ATOM 1228 OE1 GLU A 73 16.939 -2.017 25.684 1.00 41.14 O ATOM 1229 OE2 GLU A 73 15.488 -2.893 24.213 1.00 55.41 O ATOM 0 H GLU A 73 18.079 -1.153 20.990 1.00 53.54 H new ATOM 0 HA GLU A 73 19.324 -3.749 21.579 1.00 11.31 H new ATOM 0 HB2 GLU A 73 16.394 -3.128 21.861 1.00 21.34 H new ATOM 0 HB3 GLU A 73 17.379 -4.267 22.758 1.00 21.34 H new ATOM 0 HG2 GLU A 73 18.635 -2.304 23.766 1.00 42.53 H new ATOM 0 HG3 GLU A 73 17.521 -1.222 22.954 1.00 42.53 H new ATOM 1237 N LYS A 74 17.291 -3.065 19.112 1.00 13.13 N ATOM 1238 CA LYS A 74 16.771 -3.556 17.847 1.00 33.15 C ATOM 1239 C LYS A 74 17.938 -3.950 16.940 1.00 53.13 C ATOM 1240 O LYS A 74 19.097 -3.711 17.274 1.00 20.44 O ATOM 1241 CB LYS A 74 15.825 -2.529 17.222 1.00 35.21 C ATOM 1242 CG LYS A 74 14.415 -2.656 17.804 1.00 23.33 C ATOM 1243 CD LYS A 74 13.367 -2.729 16.692 1.00 1.20 C ATOM 1244 CE LYS A 74 13.125 -4.176 16.260 1.00 21.53 C ATOM 1245 NZ LYS A 74 11.861 -4.286 15.498 1.00 42.51 N ATOM 0 H LYS A 74 17.091 -2.083 19.303 1.00 13.13 H new ATOM 0 HA LYS A 74 16.172 -4.453 18.003 1.00 33.15 H new ATOM 0 HB2 LYS A 74 16.206 -1.523 17.399 1.00 35.21 H new ATOM 0 HB3 LYS A 74 15.791 -2.671 16.142 1.00 35.21 H new ATOM 0 HG2 LYS A 74 14.354 -3.549 18.426 1.00 23.33 H new ATOM 0 HG3 LYS A 74 14.206 -1.803 18.450 1.00 23.33 H new ATOM 0 HD2 LYS A 74 12.432 -2.288 17.039 1.00 1.20 H new ATOM 0 HD3 LYS A 74 13.698 -2.141 15.836 1.00 1.20 H new ATOM 0 HE2 LYS A 74 13.957 -4.523 15.647 1.00 21.53 H new ATOM 0 HE3 LYS A 74 13.085 -4.822 17.137 1.00 21.53 H new ATOM 0 HZ1 LYS A 74 11.264 -5.025 15.921 1.00 42.51 H new ATOM 0 HZ2 LYS A 74 11.358 -3.376 15.527 1.00 42.51 H new ATOM 0 HZ3 LYS A 74 12.072 -4.534 14.510 1.00 42.51 H new ATOM 1258 N ALA A 75 17.591 -4.546 15.809 1.00 73.33 N ATOM 1259 CA ALA A 75 18.595 -4.976 14.850 1.00 10.53 C ATOM 1260 C ALA A 75 17.984 -4.985 13.448 1.00 72.53 C ATOM 1261 O ALA A 75 17.158 -5.841 13.133 1.00 51.24 O ATOM 1262 CB ALA A 75 19.138 -6.346 15.259 1.00 24.02 C ATOM 0 H ALA A 75 16.628 -4.742 15.535 1.00 73.33 H new ATOM 0 HA ALA A 75 19.436 -4.283 14.838 1.00 10.53 H new ATOM 0 HB1 ALA A 75 19.891 -6.668 14.540 1.00 24.02 H new ATOM 0 HB2 ALA A 75 19.588 -6.278 16.250 1.00 24.02 H new ATOM 0 HB3 ALA A 75 18.323 -7.069 15.280 1.00 24.02 H new ATOM 1268 N ILE A 76 18.413 -4.025 12.643 1.00 44.31 N ATOM 1269 CA ILE A 76 17.919 -3.912 11.281 1.00 32.03 C ATOM 1270 C ILE A 76 18.935 -4.533 10.321 1.00 21.31 C ATOM 1271 O ILE A 76 20.109 -4.676 10.661 1.00 75.41 O ATOM 1272 CB ILE A 76 17.574 -2.458 10.955 1.00 11.51 C ATOM 1273 CG1 ILE A 76 16.456 -2.379 9.913 1.00 64.51 C ATOM 1274 CG2 ILE A 76 18.819 -1.683 10.519 1.00 24.21 C ATOM 1275 CD1 ILE A 76 15.652 -1.088 10.068 1.00 55.53 C ATOM 0 H ILE A 76 19.098 -3.317 12.908 1.00 44.31 H new ATOM 0 HA ILE A 76 16.989 -4.469 11.166 1.00 32.03 H new ATOM 0 HB ILE A 76 17.201 -1.984 11.863 1.00 11.51 H new ATOM 0 HG12 ILE A 76 16.884 -2.427 8.912 1.00 64.51 H new ATOM 0 HG13 ILE A 76 15.794 -3.239 10.019 1.00 64.51 H new ATOM 0 HG21 ILE A 76 18.545 -0.652 10.293 1.00 24.21 H new ATOM 0 HG22 ILE A 76 19.555 -1.695 11.323 1.00 24.21 H new ATOM 0 HG23 ILE A 76 19.245 -2.148 9.630 1.00 24.21 H new ATOM 0 HD11 ILE A 76 14.864 -1.057 9.315 1.00 55.53 H new ATOM 0 HD12 ILE A 76 15.206 -1.054 11.062 1.00 55.53 H new ATOM 0 HD13 ILE A 76 16.312 -0.230 9.937 1.00 55.53 H new ATOM 1287 N PHE A 77 18.447 -4.886 9.141 1.00 44.33 N ATOM 1288 CA PHE A 77 19.299 -5.488 8.129 1.00 75.31 C ATOM 1289 C PHE A 77 18.828 -5.113 6.722 1.00 32.41 C ATOM 1290 O PHE A 77 17.629 -5.112 6.445 1.00 45.15 O ATOM 1291 CB PHE A 77 19.194 -7.005 8.302 1.00 53.23 C ATOM 1292 CG PHE A 77 19.535 -7.496 9.710 1.00 11.31 C ATOM 1293 CD1 PHE A 77 20.827 -7.758 10.044 1.00 32.53 C ATOM 1294 CD2 PHE A 77 18.546 -7.669 10.628 1.00 63.11 C ATOM 1295 CE1 PHE A 77 21.143 -8.214 11.351 1.00 4.15 C ATOM 1296 CE2 PHE A 77 18.863 -8.125 11.935 1.00 50.40 C ATOM 1297 CZ PHE A 77 20.155 -8.387 12.269 1.00 32.43 C ATOM 0 H PHE A 77 17.473 -4.767 8.863 1.00 44.33 H new ATOM 0 HA PHE A 77 20.323 -5.135 8.246 1.00 75.31 H new ATOM 0 HB2 PHE A 77 18.180 -7.319 8.054 1.00 53.23 H new ATOM 0 HB3 PHE A 77 19.861 -7.489 7.588 1.00 53.23 H new ATOM 0 HD1 PHE A 77 21.612 -7.619 9.316 1.00 32.53 H new ATOM 0 HD2 PHE A 77 17.520 -7.460 10.363 1.00 63.11 H new ATOM 0 HE1 PHE A 77 22.169 -8.424 11.616 1.00 4.15 H new ATOM 0 HE2 PHE A 77 18.078 -8.264 12.664 1.00 50.40 H new ATOM 0 HZ PHE A 77 20.396 -8.732 13.263 1.00 32.43 H new ATOM 1307 N ILE A 78 19.796 -4.805 5.872 1.00 55.34 N ATOM 1308 CA ILE A 78 19.495 -4.429 4.500 1.00 2.04 C ATOM 1309 C ILE A 78 19.570 -5.670 3.608 1.00 12.42 C ATOM 1310 O ILE A 78 20.303 -6.611 3.908 1.00 50.24 O ATOM 1311 CB ILE A 78 20.408 -3.288 4.045 1.00 33.33 C ATOM 1312 CG1 ILE A 78 20.524 -2.214 5.128 1.00 4.05 C ATOM 1313 CG2 ILE A 78 19.936 -2.708 2.711 1.00 53.23 C ATOM 1314 CD1 ILE A 78 19.167 -1.565 5.405 1.00 12.23 C ATOM 0 H ILE A 78 20.789 -4.808 6.106 1.00 55.34 H new ATOM 0 HA ILE A 78 18.479 -4.043 4.425 1.00 2.04 H new ATOM 0 HB ILE A 78 21.407 -3.693 3.885 1.00 33.33 H new ATOM 0 HG12 ILE A 78 20.913 -2.658 6.045 1.00 4.05 H new ATOM 0 HG13 ILE A 78 21.238 -1.452 4.815 1.00 4.05 H new ATOM 0 HG21 ILE A 78 20.602 -1.899 2.410 1.00 53.23 H new ATOM 0 HG22 ILE A 78 19.947 -3.489 1.951 1.00 53.23 H new ATOM 0 HG23 ILE A 78 18.922 -2.322 2.820 1.00 53.23 H new ATOM 0 HD11 ILE A 78 19.278 -0.805 6.179 1.00 12.23 H new ATOM 0 HD12 ILE A 78 18.792 -1.101 4.492 1.00 12.23 H new ATOM 0 HD13 ILE A 78 18.462 -2.325 5.742 1.00 12.23 H new ATOM 1326 N PHE A 79 18.801 -5.631 2.530 1.00 51.11 N ATOM 1327 CA PHE A 79 18.771 -6.740 1.592 1.00 33.31 C ATOM 1328 C PHE A 79 18.800 -6.238 0.147 1.00 0.12 C ATOM 1329 O PHE A 79 18.158 -5.241 -0.180 1.00 44.13 O ATOM 1330 CB PHE A 79 17.460 -7.493 1.831 1.00 1.43 C ATOM 1331 CG PHE A 79 17.074 -7.616 3.307 1.00 60.23 C ATOM 1332 CD1 PHE A 79 17.979 -8.081 4.210 1.00 52.32 C ATOM 1333 CD2 PHE A 79 15.826 -7.262 3.715 1.00 2.31 C ATOM 1334 CE1 PHE A 79 17.620 -8.195 5.579 1.00 64.41 C ATOM 1335 CE2 PHE A 79 15.468 -7.377 5.084 1.00 11.54 C ATOM 1336 CZ PHE A 79 16.373 -7.841 5.987 1.00 34.04 C ATOM 0 H PHE A 79 18.194 -4.849 2.285 1.00 51.11 H new ATOM 0 HA PHE A 79 19.641 -7.379 1.744 1.00 33.31 H new ATOM 0 HB2 PHE A 79 16.658 -6.984 1.297 1.00 1.43 H new ATOM 0 HB3 PHE A 79 17.543 -8.492 1.403 1.00 1.43 H new ATOM 0 HD1 PHE A 79 18.970 -8.363 3.886 1.00 52.32 H new ATOM 0 HD2 PHE A 79 15.107 -6.894 2.998 1.00 2.31 H new ATOM 0 HE1 PHE A 79 18.338 -8.563 6.296 1.00 64.41 H new ATOM 0 HE2 PHE A 79 14.477 -7.096 5.408 1.00 11.54 H new ATOM 0 HZ PHE A 79 16.101 -7.928 7.028 1.00 34.04 H new ATOM 1346 N VAL A 80 19.551 -6.951 -0.679 1.00 24.34 N ATOM 1347 CA VAL A 80 19.673 -6.590 -2.081 1.00 32.32 C ATOM 1348 C VAL A 80 19.329 -7.804 -2.947 1.00 12.30 C ATOM 1349 O VAL A 80 19.935 -8.864 -2.805 1.00 22.43 O ATOM 1350 CB VAL A 80 21.071 -6.034 -2.359 1.00 31.41 C ATOM 1351 CG1 VAL A 80 21.590 -5.233 -1.164 1.00 13.54 C ATOM 1352 CG2 VAL A 80 22.043 -7.156 -2.730 1.00 50.14 C ATOM 0 H VAL A 80 20.082 -7.778 -0.404 1.00 24.34 H new ATOM 0 HA VAL A 80 18.967 -5.799 -2.335 1.00 32.32 H new ATOM 0 HB VAL A 80 20.999 -5.357 -3.210 1.00 31.41 H new ATOM 0 HG11 VAL A 80 22.585 -4.849 -1.388 1.00 13.54 H new ATOM 0 HG12 VAL A 80 20.916 -4.400 -0.964 1.00 13.54 H new ATOM 0 HG13 VAL A 80 21.639 -5.878 -0.287 1.00 13.54 H new ATOM 0 HG21 VAL A 80 23.029 -6.734 -2.923 1.00 50.14 H new ATOM 0 HG22 VAL A 80 22.107 -7.868 -1.908 1.00 50.14 H new ATOM 0 HG23 VAL A 80 21.686 -7.666 -3.625 1.00 50.14 H new ATOM 1362 N ASN A 81 18.357 -7.607 -3.826 1.00 11.14 N ATOM 1363 CA ASN A 81 17.925 -8.672 -4.715 1.00 11.12 C ATOM 1364 C ASN A 81 17.442 -9.861 -3.882 1.00 60.22 C ATOM 1365 O ASN A 81 17.733 -11.011 -4.208 1.00 43.12 O ATOM 1366 CB ASN A 81 19.077 -9.151 -5.600 1.00 72.32 C ATOM 1367 CG ASN A 81 19.481 -8.072 -6.606 1.00 42.32 C ATOM 1368 OD1 ASN A 81 19.653 -6.868 -6.068 1.00 1.43 O flip ATOM 1369 ND2 ASN A 81 19.627 -8.316 -7.793 1.00 4.12 N flip ATOM 0 H ASN A 81 17.857 -6.726 -3.941 1.00 11.14 H new ATOM 0 HA ASN A 81 17.125 -8.283 -5.344 1.00 11.12 H new ATOM 0 HB2 ASN A 81 19.933 -9.413 -4.978 1.00 72.32 H new ATOM 0 HB3 ASN A 81 18.780 -10.056 -6.131 1.00 72.32 H new ATOM 0 HD21 ASN A 81 19.479 -9.263 -8.141 1.00 4.12 H new ATOM 0 HD22 ASN A 81 19.897 -7.573 -8.437 1.00 4.12 H new ATOM 1376 N ASP A 82 16.712 -9.544 -2.823 1.00 40.41 N ATOM 1377 CA ASP A 82 16.186 -10.572 -1.941 1.00 51.32 C ATOM 1378 C ASP A 82 17.348 -11.353 -1.325 1.00 43.13 C ATOM 1379 O ASP A 82 17.218 -12.541 -1.034 1.00 54.24 O ATOM 1380 CB ASP A 82 15.307 -11.560 -2.710 1.00 50.02 C ATOM 1381 CG ASP A 82 14.241 -10.919 -3.601 1.00 73.51 C ATOM 1382 OD1 ASP A 82 14.370 -10.894 -4.834 1.00 73.11 O ATOM 1383 OD2 ASP A 82 13.229 -10.425 -2.971 1.00 63.03 O ATOM 0 H ASP A 82 16.472 -8.589 -2.556 1.00 40.41 H new ATOM 0 HA ASP A 82 15.590 -10.083 -1.171 1.00 51.32 H new ATOM 0 HB2 ASP A 82 15.948 -12.187 -3.330 1.00 50.02 H new ATOM 0 HB3 ASP A 82 14.813 -12.217 -1.994 1.00 50.02 H new ATOM 1389 N THR A 83 18.459 -10.654 -1.145 1.00 3.14 N ATOM 1390 CA THR A 83 19.644 -11.267 -0.569 1.00 30.25 C ATOM 1391 C THR A 83 20.168 -10.424 0.596 1.00 60.41 C ATOM 1392 O THR A 83 19.635 -9.353 0.881 1.00 34.41 O ATOM 1393 CB THR A 83 20.668 -11.460 -1.688 1.00 64.33 C ATOM 1394 OG1 THR A 83 21.150 -12.787 -1.494 1.00 34.44 O ATOM 1395 CG2 THR A 83 21.909 -10.584 -1.505 1.00 11.43 C ATOM 0 H THR A 83 18.564 -9.669 -1.388 1.00 3.14 H new ATOM 0 HA THR A 83 19.417 -12.245 -0.145 1.00 30.25 H new ATOM 0 HB THR A 83 20.202 -11.234 -2.647 1.00 64.33 H new ATOM 0 HG1 THR A 83 21.819 -12.996 -2.179 1.00 34.44 H new ATOM 0 HG21 THR A 83 22.603 -10.760 -2.327 1.00 11.43 H new ATOM 0 HG22 THR A 83 21.615 -9.534 -1.497 1.00 11.43 H new ATOM 0 HG23 THR A 83 22.394 -10.832 -0.561 1.00 11.43 H new ATOM 1403 N LEU A 84 21.207 -10.940 1.237 1.00 15.11 N ATOM 1404 CA LEU A 84 21.809 -10.248 2.364 1.00 33.12 C ATOM 1405 C LEU A 84 23.330 -10.238 2.197 1.00 34.24 C ATOM 1406 O LEU A 84 24.004 -11.198 2.566 1.00 64.22 O ATOM 1407 CB LEU A 84 21.339 -10.864 3.684 1.00 52.43 C ATOM 1408 CG LEU A 84 21.239 -9.906 4.873 1.00 54.44 C ATOM 1409 CD1 LEU A 84 20.013 -10.224 5.732 1.00 44.04 C ATOM 1410 CD2 LEU A 84 22.531 -9.912 5.692 1.00 14.12 C ATOM 0 H LEU A 84 21.647 -11.829 0.997 1.00 15.11 H new ATOM 0 HA LEU A 84 21.484 -9.208 2.391 1.00 33.12 H new ATOM 0 HB2 LEU A 84 20.360 -11.315 3.523 1.00 52.43 H new ATOM 0 HB3 LEU A 84 22.022 -11.671 3.949 1.00 52.43 H new ATOM 0 HG LEU A 84 21.108 -8.895 4.487 1.00 54.44 H new ATOM 0 HD11 LEU A 84 19.966 -9.529 6.570 1.00 44.04 H new ATOM 0 HD12 LEU A 84 19.111 -10.127 5.128 1.00 44.04 H new ATOM 0 HD13 LEU A 84 20.088 -11.243 6.110 1.00 44.04 H new ATOM 0 HD21 LEU A 84 22.433 -9.223 6.531 1.00 14.12 H new ATOM 0 HD22 LEU A 84 22.718 -10.918 6.068 1.00 14.12 H new ATOM 0 HD23 LEU A 84 23.363 -9.600 5.061 1.00 14.12 H new ATOM 1422 N PRO A 85 23.838 -9.113 1.627 1.00 72.10 N ATOM 1423 CA PRO A 85 25.266 -8.965 1.407 1.00 64.41 C ATOM 1424 C PRO A 85 25.996 -8.671 2.719 1.00 30.32 C ATOM 1425 O PRO A 85 25.366 -8.350 3.725 1.00 32.15 O ATOM 1426 CB PRO A 85 25.394 -7.841 0.392 1.00 70.44 C ATOM 1427 CG PRO A 85 24.072 -7.092 0.431 1.00 72.54 C ATOM 1428 CD PRO A 85 23.069 -7.956 1.178 1.00 11.02 C ATOM 0 HA PRO A 85 25.730 -9.877 1.032 1.00 64.41 H new ATOM 0 HB2 PRO A 85 26.224 -7.181 0.643 1.00 70.44 H new ATOM 0 HB3 PRO A 85 25.590 -8.235 -0.605 1.00 70.44 H new ATOM 0 HG2 PRO A 85 24.193 -6.130 0.929 1.00 72.54 H new ATOM 0 HG3 PRO A 85 23.720 -6.886 -0.580 1.00 72.54 H new ATOM 0 HD2 PRO A 85 22.634 -7.419 2.021 1.00 11.02 H new ATOM 0 HD3 PRO A 85 22.245 -8.255 0.531 1.00 11.02 H new ATOM 1436 N PRO A 86 27.349 -8.795 2.665 1.00 43.13 N ATOM 1437 CA PRO A 86 28.171 -8.546 3.837 1.00 44.15 C ATOM 1438 C PRO A 86 28.285 -7.046 4.118 1.00 31.31 C ATOM 1439 O PRO A 86 28.100 -6.227 3.220 1.00 53.41 O ATOM 1440 CB PRO A 86 29.510 -9.194 3.523 1.00 32.52 C ATOM 1441 CG PRO A 86 29.542 -9.376 2.014 1.00 0.23 C ATOM 1442 CD PRO A 86 28.130 -9.173 1.490 1.00 33.53 C ATOM 0 HA PRO A 86 27.743 -8.966 4.747 1.00 44.15 H new ATOM 0 HB2 PRO A 86 30.336 -8.566 3.858 1.00 32.52 H new ATOM 0 HB3 PRO A 86 29.610 -10.152 4.034 1.00 32.52 H new ATOM 0 HG2 PRO A 86 30.225 -8.660 1.558 1.00 0.23 H new ATOM 0 HG3 PRO A 86 29.905 -10.371 1.757 1.00 0.23 H new ATOM 0 HD2 PRO A 86 28.099 -8.395 0.727 1.00 33.53 H new ATOM 0 HD3 PRO A 86 27.742 -10.084 1.033 1.00 33.53 H new ATOM 1450 N THR A 87 28.589 -6.733 5.369 1.00 0.10 N ATOM 1451 CA THR A 87 28.730 -5.346 5.780 1.00 33.42 C ATOM 1452 C THR A 87 30.042 -4.764 5.251 1.00 14.31 C ATOM 1453 O THR A 87 30.233 -3.549 5.258 1.00 1.34 O ATOM 1454 CB THR A 87 28.611 -5.291 7.305 1.00 42.05 C ATOM 1455 OG1 THR A 87 29.153 -4.019 7.649 1.00 43.11 O ATOM 1456 CG2 THR A 87 29.537 -6.291 8.001 1.00 73.05 C ATOM 0 H THR A 87 28.742 -7.416 6.111 1.00 0.10 H new ATOM 0 HA THR A 87 27.941 -4.725 5.355 1.00 33.42 H new ATOM 0 HB THR A 87 27.579 -5.488 7.596 1.00 42.05 H new ATOM 0 HG1 THR A 87 29.363 -3.521 6.832 1.00 43.11 H new ATOM 0 HG21 THR A 87 29.413 -6.211 9.081 1.00 73.05 H new ATOM 0 HG22 THR A 87 29.286 -7.302 7.681 1.00 73.05 H new ATOM 0 HG23 THR A 87 30.572 -6.073 7.737 1.00 73.05 H new ATOM 1464 N ALA A 88 30.911 -5.658 4.804 1.00 4.24 N ATOM 1465 CA ALA A 88 32.200 -5.248 4.273 1.00 50.34 C ATOM 1466 C ALA A 88 32.055 -4.932 2.783 1.00 53.43 C ATOM 1467 O ALA A 88 32.816 -4.135 2.236 1.00 0.24 O ATOM 1468 CB ALA A 88 33.234 -6.343 4.538 1.00 22.50 C ATOM 0 H ALA A 88 30.748 -6.665 4.798 1.00 4.24 H new ATOM 0 HA ALA A 88 32.549 -4.343 4.770 1.00 50.34 H new ATOM 0 HB1 ALA A 88 34.201 -6.035 4.139 1.00 22.50 H new ATOM 0 HB2 ALA A 88 33.321 -6.509 5.612 1.00 22.50 H new ATOM 0 HB3 ALA A 88 32.919 -7.266 4.052 1.00 22.50 H new ATOM 1474 N ALA A 89 31.072 -5.573 2.168 1.00 53.54 N ATOM 1475 CA ALA A 89 30.817 -5.370 0.752 1.00 52.35 C ATOM 1476 C ALA A 89 30.762 -3.869 0.457 1.00 24.23 C ATOM 1477 O ALA A 89 30.150 -3.108 1.205 1.00 74.34 O ATOM 1478 CB ALA A 89 29.525 -6.088 0.357 1.00 30.41 C ATOM 0 H ALA A 89 30.443 -6.233 2.624 1.00 53.54 H new ATOM 0 HA ALA A 89 31.623 -5.795 0.153 1.00 52.35 H new ATOM 0 HB1 ALA A 89 29.334 -5.935 -0.705 1.00 30.41 H new ATOM 0 HB2 ALA A 89 29.625 -7.155 0.558 1.00 30.41 H new ATOM 0 HB3 ALA A 89 28.694 -5.686 0.936 1.00 30.41 H new ATOM 1484 N LEU A 90 31.412 -3.489 -0.633 1.00 12.50 N ATOM 1485 CA LEU A 90 31.445 -2.093 -1.035 1.00 41.32 C ATOM 1486 C LEU A 90 30.210 -1.781 -1.882 1.00 53.21 C ATOM 1487 O LEU A 90 29.875 -2.530 -2.798 1.00 64.43 O ATOM 1488 CB LEU A 90 32.767 -1.768 -1.733 1.00 43.41 C ATOM 1489 CG LEU A 90 33.378 -0.402 -1.411 1.00 32.11 C ATOM 1490 CD1 LEU A 90 33.572 -0.230 0.097 1.00 61.52 C ATOM 1491 CD2 LEU A 90 34.680 -0.187 -2.185 1.00 21.52 C ATOM 0 H LEU A 90 31.920 -4.123 -1.250 1.00 12.50 H new ATOM 0 HA LEU A 90 31.404 -1.444 -0.160 1.00 41.32 H new ATOM 0 HB2 LEU A 90 33.492 -2.539 -1.472 1.00 43.41 H new ATOM 0 HB3 LEU A 90 32.611 -1.829 -2.810 1.00 43.41 H new ATOM 0 HG LEU A 90 32.680 0.369 -1.736 1.00 32.11 H new ATOM 0 HD11 LEU A 90 34.007 0.749 0.299 1.00 61.52 H new ATOM 0 HD12 LEU A 90 32.608 -0.309 0.599 1.00 61.52 H new ATOM 0 HD13 LEU A 90 34.239 -1.008 0.469 1.00 61.52 H new ATOM 0 HD21 LEU A 90 35.093 0.791 -1.938 1.00 21.52 H new ATOM 0 HD22 LEU A 90 35.397 -0.962 -1.914 1.00 21.52 H new ATOM 0 HD23 LEU A 90 34.479 -0.236 -3.255 1.00 21.52 H new ATOM 1503 N MET A 91 29.565 -0.673 -1.546 1.00 22.23 N ATOM 1504 CA MET A 91 28.374 -0.253 -2.264 1.00 0.01 C ATOM 1505 C MET A 91 28.687 0.011 -3.738 1.00 70.52 C ATOM 1506 O MET A 91 27.777 0.140 -4.556 1.00 4.51 O ATOM 1507 CB MET A 91 27.815 1.020 -1.625 1.00 60.10 C ATOM 1508 CG MET A 91 27.567 0.819 -0.129 1.00 4.14 C ATOM 1509 SD MET A 91 26.565 -0.634 0.135 1.00 62.33 S ATOM 1510 CE MET A 91 24.987 -0.031 -0.441 1.00 11.01 C ATOM 0 H MET A 91 29.845 -0.053 -0.786 1.00 22.23 H new ATOM 0 HA MET A 91 27.636 -1.054 -2.206 1.00 0.01 H new ATOM 0 HB2 MET A 91 28.514 1.843 -1.774 1.00 60.10 H new ATOM 0 HB3 MET A 91 26.884 1.300 -2.117 1.00 60.10 H new ATOM 0 HG2 MET A 91 28.517 0.715 0.395 1.00 4.14 H new ATOM 0 HG3 MET A 91 27.068 1.695 0.286 1.00 4.14 H new ATOM 0 HE1 MET A 91 24.201 -0.722 -0.138 1.00 11.01 H new ATOM 0 HE2 MET A 91 24.793 0.951 -0.010 1.00 11.01 H new ATOM 0 HE3 MET A 91 25.002 0.047 -1.528 1.00 11.01 H new ATOM 1520 N SER A 92 29.977 0.082 -4.033 1.00 33.52 N ATOM 1521 CA SER A 92 30.421 0.327 -5.394 1.00 40.23 C ATOM 1522 C SER A 92 30.391 -0.975 -6.197 1.00 40.24 C ATOM 1523 O SER A 92 29.907 -1.000 -7.328 1.00 33.02 O ATOM 1524 CB SER A 92 31.827 0.931 -5.414 1.00 74.14 C ATOM 1525 OG SER A 92 32.826 -0.032 -5.092 1.00 21.30 O ATOM 0 H SER A 92 30.729 -0.026 -3.352 1.00 33.52 H new ATOM 0 HA SER A 92 29.740 1.044 -5.852 1.00 40.23 H new ATOM 0 HB2 SER A 92 32.029 1.347 -6.401 1.00 74.14 H new ATOM 0 HB3 SER A 92 31.877 1.757 -4.704 1.00 74.14 H new ATOM 0 HG SER A 92 33.713 0.344 -5.271 1.00 21.30 H new ATOM 1531 N ALA A 93 30.915 -2.024 -5.582 1.00 30.51 N ATOM 1532 CA ALA A 93 30.954 -3.327 -6.225 1.00 43.33 C ATOM 1533 C ALA A 93 29.560 -3.955 -6.180 1.00 62.43 C ATOM 1534 O ALA A 93 29.182 -4.700 -7.083 1.00 32.41 O ATOM 1535 CB ALA A 93 32.010 -4.201 -5.545 1.00 42.44 C ATOM 0 H ALA A 93 31.317 -1.999 -4.645 1.00 30.51 H new ATOM 0 HA ALA A 93 31.238 -3.229 -7.273 1.00 43.33 H new ATOM 0 HB1 ALA A 93 32.039 -5.178 -6.027 1.00 42.44 H new ATOM 0 HB2 ALA A 93 32.987 -3.725 -5.631 1.00 42.44 H new ATOM 0 HB3 ALA A 93 31.757 -4.324 -4.492 1.00 42.44 H new ATOM 1541 N ILE A 94 28.834 -3.632 -5.120 1.00 41.13 N ATOM 1542 CA ILE A 94 27.490 -4.156 -4.946 1.00 0.43 C ATOM 1543 C ILE A 94 26.573 -3.564 -6.018 1.00 44.41 C ATOM 1544 O ILE A 94 25.999 -4.296 -6.822 1.00 72.11 O ATOM 1545 CB ILE A 94 27.002 -3.912 -3.516 1.00 74.14 C ATOM 1546 CG1 ILE A 94 27.859 -4.677 -2.506 1.00 43.31 C ATOM 1547 CG2 ILE A 94 25.516 -4.251 -3.380 1.00 12.15 C ATOM 1548 CD1 ILE A 94 27.496 -6.163 -2.492 1.00 12.21 C ATOM 0 H ILE A 94 29.151 -3.014 -4.373 1.00 41.13 H new ATOM 0 HA ILE A 94 27.482 -5.237 -5.082 1.00 0.43 H new ATOM 0 HB ILE A 94 27.113 -2.851 -3.293 1.00 74.14 H new ATOM 0 HG12 ILE A 94 28.913 -4.559 -2.756 1.00 43.31 H new ATOM 0 HG13 ILE A 94 27.718 -4.255 -1.511 1.00 43.31 H new ATOM 0 HG21 ILE A 94 25.194 -4.069 -2.355 1.00 12.15 H new ATOM 0 HG22 ILE A 94 24.936 -3.625 -4.059 1.00 12.15 H new ATOM 0 HG23 ILE A 94 25.358 -5.300 -3.629 1.00 12.15 H new ATOM 0 HD11 ILE A 94 28.120 -6.683 -1.765 1.00 12.21 H new ATOM 0 HD12 ILE A 94 26.447 -6.279 -2.218 1.00 12.21 H new ATOM 0 HD13 ILE A 94 27.662 -6.587 -3.482 1.00 12.21 H new ATOM 1560 N TYR A 95 26.465 -2.243 -5.996 1.00 21.35 N ATOM 1561 CA TYR A 95 25.628 -1.544 -6.956 1.00 20.51 C ATOM 1562 C TYR A 95 26.111 -1.792 -8.387 1.00 2.35 C ATOM 1563 O TYR A 95 25.346 -1.644 -9.338 1.00 40.22 O ATOM 1564 CB TYR A 95 25.769 -0.056 -6.633 1.00 54.41 C ATOM 1565 CG TYR A 95 25.134 0.869 -7.673 1.00 54.32 C ATOM 1566 CD1 TYR A 95 25.752 1.066 -8.891 1.00 62.44 C ATOM 1567 CD2 TYR A 95 23.942 1.507 -7.394 1.00 3.44 C ATOM 1568 CE1 TYR A 95 25.154 1.936 -9.870 1.00 45.24 C ATOM 1569 CE2 TYR A 95 23.345 2.378 -8.373 1.00 34.14 C ATOM 1570 CZ TYR A 95 23.980 2.549 -9.563 1.00 2.33 C ATOM 1571 OH TYR A 95 23.416 3.371 -10.487 1.00 53.54 O ATOM 0 H TYR A 95 26.944 -1.639 -5.328 1.00 21.35 H new ATOM 0 HA TYR A 95 24.596 -1.890 -6.890 1.00 20.51 H new ATOM 0 HB2 TYR A 95 25.314 0.139 -5.662 1.00 54.41 H new ATOM 0 HB3 TYR A 95 26.828 0.187 -6.544 1.00 54.41 H new ATOM 0 HD1 TYR A 95 26.685 0.567 -9.110 1.00 62.44 H new ATOM 0 HD2 TYR A 95 23.457 1.353 -6.441 1.00 3.44 H new ATOM 0 HE1 TYR A 95 25.628 2.098 -10.827 1.00 45.24 H new ATOM 0 HE2 TYR A 95 22.414 2.884 -8.167 1.00 34.14 H new ATOM 0 HH TYR A 95 22.862 2.843 -11.099 1.00 53.54 H new ATOM 1581 N GLN A 96 27.378 -2.164 -8.493 1.00 62.11 N ATOM 1582 CA GLN A 96 27.972 -2.433 -9.792 1.00 24.35 C ATOM 1583 C GLN A 96 27.358 -3.693 -10.406 1.00 0.24 C ATOM 1584 O GLN A 96 27.187 -3.775 -11.621 1.00 24.30 O ATOM 1585 CB GLN A 96 29.493 -2.562 -9.682 1.00 70.34 C ATOM 1586 CG GLN A 96 30.187 -1.278 -10.142 1.00 35.05 C ATOM 1587 CD GLN A 96 31.623 -1.213 -9.618 1.00 71.53 C ATOM 1588 OE1 GLN A 96 32.386 -2.161 -9.707 1.00 4.00 O ATOM 1589 NE2 GLN A 96 31.947 -0.046 -9.070 1.00 31.02 N ATOM 0 H GLN A 96 28.010 -2.286 -7.701 1.00 62.11 H new ATOM 0 HA GLN A 96 27.758 -1.591 -10.450 1.00 24.35 H new ATOM 0 HB2 GLN A 96 29.769 -2.779 -8.650 1.00 70.34 H new ATOM 0 HB3 GLN A 96 29.835 -3.401 -10.287 1.00 70.34 H new ATOM 0 HG2 GLN A 96 30.191 -1.233 -11.231 1.00 35.05 H new ATOM 0 HG3 GLN A 96 29.628 -0.412 -9.789 1.00 35.05 H new ATOM 0 HE21 GLN A 96 31.259 0.706 -9.028 1.00 31.02 H new ATOM 0 HE22 GLN A 96 32.883 0.097 -8.692 1.00 31.02 H new ATOM 1598 N GLU A 97 27.042 -4.642 -9.537 1.00 64.53 N ATOM 1599 CA GLU A 97 26.451 -5.894 -9.979 1.00 53.11 C ATOM 1600 C GLU A 97 24.984 -5.968 -9.551 1.00 12.14 C ATOM 1601 O GLU A 97 24.298 -6.947 -9.839 1.00 74.05 O ATOM 1602 CB GLU A 97 27.239 -7.092 -9.445 1.00 52.44 C ATOM 1603 CG GLU A 97 28.525 -7.303 -10.247 1.00 1.34 C ATOM 1604 CD GLU A 97 28.950 -8.772 -10.224 1.00 70.44 C ATOM 1605 OE1 GLU A 97 30.095 -9.081 -9.862 1.00 70.33 O ATOM 1606 OE2 GLU A 97 28.042 -9.608 -10.600 1.00 31.21 O ATOM 0 H GLU A 97 27.184 -4.569 -8.530 1.00 64.53 H new ATOM 0 HA GLU A 97 26.494 -5.929 -11.068 1.00 53.11 H new ATOM 0 HB2 GLU A 97 27.483 -6.933 -8.395 1.00 52.44 H new ATOM 0 HB3 GLU A 97 26.623 -7.990 -9.496 1.00 52.44 H new ATOM 0 HG2 GLU A 97 28.372 -6.981 -11.277 1.00 1.34 H new ATOM 0 HG3 GLU A 97 29.321 -6.684 -9.834 1.00 1.34 H new ATOM 1614 N HIS A 98 24.546 -4.920 -8.868 1.00 42.23 N ATOM 1615 CA HIS A 98 23.173 -4.854 -8.397 1.00 43.30 C ATOM 1616 C HIS A 98 22.438 -3.721 -9.116 1.00 0.44 C ATOM 1617 O HIS A 98 21.214 -3.623 -9.040 1.00 22.42 O ATOM 1618 CB HIS A 98 23.128 -4.718 -6.874 1.00 13.12 C ATOM 1619 CG HIS A 98 23.450 -5.994 -6.134 1.00 34.24 C ATOM 1620 ND1 HIS A 98 24.554 -6.356 -5.419 1.00 32.42 N flip ATOM 1621 CD2 HIS A 98 22.580 -7.069 -6.080 1.00 53.01 C flip ATOM 1622 CE1 HIS A 98 24.368 -7.585 -4.953 1.00 12.11 C flip ATOM 1623 NE2 HIS A 98 23.145 -8.029 -5.362 1.00 12.31 N flip ATOM 0 H HIS A 98 25.118 -4.110 -8.630 1.00 42.23 H new ATOM 0 HA HIS A 98 22.657 -5.784 -8.636 1.00 43.30 H new ATOM 0 HB2 HIS A 98 23.832 -3.945 -6.568 1.00 13.12 H new ATOM 0 HB3 HIS A 98 22.135 -4.380 -6.579 1.00 13.12 H new ATOM 0 HD2 HIS A 98 21.606 -7.117 -6.544 1.00 53.01 H new ATOM 0 HE1 HIS A 98 25.070 -8.142 -4.349 1.00 12.11 H new ATOM 0 HE2 HIS A 98 22.737 -8.940 -5.152 1.00 12.31 H new ATOM 1631 N LYS A 99 23.216 -2.892 -9.797 1.00 32.22 N ATOM 1632 CA LYS A 99 22.654 -1.769 -10.529 1.00 21.55 C ATOM 1633 C LYS A 99 21.426 -2.239 -11.311 1.00 20.41 C ATOM 1634 O LYS A 99 21.406 -3.354 -11.831 1.00 41.21 O ATOM 1635 CB LYS A 99 23.724 -1.110 -11.401 1.00 54.51 C ATOM 1636 CG LYS A 99 23.092 -0.399 -12.600 1.00 33.21 C ATOM 1637 CD LYS A 99 23.071 -1.310 -13.829 1.00 23.52 C ATOM 1638 CE LYS A 99 24.487 -1.555 -14.353 1.00 65.34 C ATOM 1639 NZ LYS A 99 24.802 -0.617 -15.454 1.00 74.55 N ATOM 0 H LYS A 99 24.231 -2.975 -9.857 1.00 32.22 H new ATOM 0 HA LYS A 99 22.316 -0.995 -9.840 1.00 21.55 H new ATOM 0 HB2 LYS A 99 24.292 -0.394 -10.807 1.00 54.51 H new ATOM 0 HB3 LYS A 99 24.429 -1.864 -11.751 1.00 54.51 H new ATOM 0 HG2 LYS A 99 22.076 -0.094 -12.352 1.00 33.21 H new ATOM 0 HG3 LYS A 99 23.652 0.509 -12.825 1.00 33.21 H new ATOM 0 HD2 LYS A 99 22.604 -2.261 -13.573 1.00 23.52 H new ATOM 0 HD3 LYS A 99 22.463 -0.857 -14.612 1.00 23.52 H new ATOM 0 HE2 LYS A 99 25.207 -1.431 -13.544 1.00 65.34 H new ATOM 0 HE3 LYS A 99 24.578 -2.582 -14.705 1.00 65.34 H new ATOM 0 HZ1 LYS A 99 25.767 -0.797 -15.798 1.00 74.55 H new ATOM 0 HZ2 LYS A 99 24.126 -0.755 -16.232 1.00 74.55 H new ATOM 0 HZ3 LYS A 99 24.735 0.361 -15.107 1.00 74.55 H new ATOM 1652 N ASP A 100 20.432 -1.366 -11.369 1.00 55.14 N ATOM 1653 CA ASP A 100 19.203 -1.678 -12.080 1.00 13.55 C ATOM 1654 C ASP A 100 19.266 -1.080 -13.487 1.00 3.25 C ATOM 1655 O ASP A 100 20.254 -0.444 -13.851 1.00 25.42 O ATOM 1656 CB ASP A 100 17.988 -1.080 -11.367 1.00 20.14 C ATOM 1657 CG ASP A 100 16.668 -1.813 -11.613 1.00 61.44 C ATOM 1658 OD1 ASP A 100 15.891 -1.446 -12.507 1.00 72.00 O ATOM 1659 OD2 ASP A 100 16.447 -2.815 -10.832 1.00 34.43 O ATOM 0 H ASP A 100 20.452 -0.443 -10.936 1.00 55.14 H new ATOM 0 HA ASP A 100 19.102 -2.763 -12.119 1.00 13.55 H new ATOM 0 HB2 ASP A 100 18.185 -1.067 -10.295 1.00 20.14 H new ATOM 0 HB3 ASP A 100 17.875 -0.043 -11.683 1.00 20.14 H new ATOM 1665 N LYS A 101 18.199 -1.305 -14.239 1.00 44.31 N ATOM 1666 CA LYS A 101 18.121 -0.796 -15.598 1.00 65.41 C ATOM 1667 C LYS A 101 17.804 0.700 -15.561 1.00 20.11 C ATOM 1668 O LYS A 101 17.923 1.389 -16.573 1.00 71.30 O ATOM 1669 CB LYS A 101 17.125 -1.616 -16.421 1.00 22.14 C ATOM 1670 CG LYS A 101 17.712 -2.979 -16.794 1.00 4.14 C ATOM 1671 CD LYS A 101 17.079 -3.516 -18.078 1.00 53.25 C ATOM 1672 CE LYS A 101 15.578 -3.747 -17.894 1.00 55.03 C ATOM 1673 NZ LYS A 101 15.079 -4.730 -18.882 1.00 65.21 N ATOM 0 H LYS A 101 17.381 -1.833 -13.933 1.00 44.31 H new ATOM 0 HA LYS A 101 19.082 -0.906 -16.101 1.00 65.41 H new ATOM 0 HB2 LYS A 101 16.206 -1.755 -15.852 1.00 22.14 H new ATOM 0 HB3 LYS A 101 16.860 -1.070 -17.327 1.00 22.14 H new ATOM 0 HG2 LYS A 101 18.790 -2.891 -16.925 1.00 4.14 H new ATOM 0 HG3 LYS A 101 17.547 -3.685 -15.980 1.00 4.14 H new ATOM 0 HD2 LYS A 101 17.245 -2.810 -18.892 1.00 53.25 H new ATOM 0 HD3 LYS A 101 17.562 -4.451 -18.363 1.00 53.25 H new ATOM 0 HE2 LYS A 101 15.381 -4.106 -16.884 1.00 55.03 H new ATOM 0 HE3 LYS A 101 15.043 -2.804 -18.008 1.00 55.03 H new ATOM 0 HZ1 LYS A 101 14.059 -4.875 -18.743 1.00 65.21 H new ATOM 0 HZ2 LYS A 101 15.250 -4.373 -19.844 1.00 65.21 H new ATOM 0 HZ3 LYS A 101 15.577 -5.634 -18.755 1.00 65.21 H new ATOM 1686 N ASP A 102 17.406 1.159 -14.383 1.00 63.33 N ATOM 1687 CA ASP A 102 17.071 2.561 -14.201 1.00 31.31 C ATOM 1688 C ASP A 102 18.218 3.265 -13.474 1.00 23.32 C ATOM 1689 O ASP A 102 18.055 4.381 -12.983 1.00 31.54 O ATOM 1690 CB ASP A 102 15.807 2.719 -13.354 1.00 32.22 C ATOM 1691 CG ASP A 102 15.952 2.297 -11.890 1.00 42.22 C ATOM 1692 OD1 ASP A 102 17.069 2.209 -11.359 1.00 1.01 O ATOM 1693 OD2 ASP A 102 14.842 2.050 -11.281 1.00 41.41 O ATOM 0 H ASP A 102 17.308 0.585 -13.546 1.00 63.33 H new ATOM 0 HA ASP A 102 16.903 2.998 -15.185 1.00 31.31 H new ATOM 0 HB2 ASP A 102 15.494 3.763 -13.386 1.00 32.22 H new ATOM 0 HB3 ASP A 102 15.008 2.133 -13.808 1.00 32.22 H new ATOM 1699 N GLY A 103 19.354 2.584 -13.428 1.00 71.31 N ATOM 1700 CA GLY A 103 20.528 3.130 -12.769 1.00 62.23 C ATOM 1701 C GLY A 103 20.455 2.920 -11.255 1.00 60.15 C ATOM 1702 O GLY A 103 21.301 2.239 -10.678 1.00 42.10 O ATOM 0 H GLY A 103 19.486 1.659 -13.837 1.00 71.31 H new ATOM 0 HA2 GLY A 103 21.425 2.653 -13.163 1.00 62.23 H new ATOM 0 HA3 GLY A 103 20.610 4.194 -12.988 1.00 62.23 H new ATOM 1706 N PHE A 104 19.436 3.517 -10.656 1.00 13.30 N ATOM 1707 CA PHE A 104 19.241 3.404 -9.220 1.00 50.35 C ATOM 1708 C PHE A 104 19.394 1.954 -8.759 1.00 23.42 C ATOM 1709 O PHE A 104 19.518 1.047 -9.581 1.00 22.24 O ATOM 1710 CB PHE A 104 17.815 3.873 -8.924 1.00 42.32 C ATOM 1711 CG PHE A 104 17.740 5.229 -8.219 1.00 20.02 C ATOM 1712 CD1 PHE A 104 17.988 5.316 -6.885 1.00 23.04 C ATOM 1713 CD2 PHE A 104 17.425 6.347 -8.926 1.00 51.02 C ATOM 1714 CE1 PHE A 104 17.919 6.574 -6.230 1.00 13.21 C ATOM 1715 CE2 PHE A 104 17.355 7.605 -8.272 1.00 2.24 C ATOM 1716 CZ PHE A 104 17.604 7.692 -6.937 1.00 54.23 C ATOM 0 H PHE A 104 18.736 4.081 -11.138 1.00 13.30 H new ATOM 0 HA PHE A 104 19.984 4.004 -8.695 1.00 50.35 H new ATOM 0 HB2 PHE A 104 17.261 3.931 -9.861 1.00 42.32 H new ATOM 0 HB3 PHE A 104 17.319 3.125 -8.305 1.00 42.32 H new ATOM 0 HD1 PHE A 104 18.238 4.428 -6.323 1.00 23.04 H new ATOM 0 HD2 PHE A 104 17.228 6.278 -9.986 1.00 51.02 H new ATOM 0 HE1 PHE A 104 18.117 6.643 -5.170 1.00 13.21 H new ATOM 0 HE2 PHE A 104 17.104 8.493 -8.834 1.00 2.24 H new ATOM 0 HZ PHE A 104 17.551 8.649 -6.439 1.00 54.23 H new ATOM 1726 N LEU A 105 19.381 1.780 -7.445 1.00 71.45 N ATOM 1727 CA LEU A 105 19.517 0.455 -6.865 1.00 31.43 C ATOM 1728 C LEU A 105 18.226 0.090 -6.129 1.00 11.12 C ATOM 1729 O LEU A 105 17.394 0.956 -5.862 1.00 32.22 O ATOM 1730 CB LEU A 105 20.767 0.380 -5.986 1.00 44.43 C ATOM 1731 CG LEU A 105 21.491 -0.968 -5.962 1.00 11.41 C ATOM 1732 CD1 LEU A 105 21.954 -1.367 -7.364 1.00 53.13 C ATOM 1733 CD2 LEU A 105 22.647 -0.951 -4.960 1.00 31.43 C ATOM 0 H LEU A 105 19.278 2.534 -6.766 1.00 71.45 H new ATOM 0 HA LEU A 105 19.660 -0.290 -7.648 1.00 31.43 H new ATOM 0 HB2 LEU A 105 21.470 1.142 -6.323 1.00 44.43 H new ATOM 0 HB3 LEU A 105 20.485 0.636 -4.965 1.00 44.43 H new ATOM 0 HG LEU A 105 20.786 -1.729 -5.628 1.00 11.41 H new ATOM 0 HD11 LEU A 105 22.465 -2.328 -7.318 1.00 53.13 H new ATOM 0 HD12 LEU A 105 21.090 -1.447 -8.024 1.00 53.13 H new ATOM 0 HD13 LEU A 105 22.637 -0.611 -7.751 1.00 53.13 H new ATOM 0 HD21 LEU A 105 23.145 -1.921 -4.962 1.00 31.43 H new ATOM 0 HD22 LEU A 105 23.360 -0.176 -5.241 1.00 31.43 H new ATOM 0 HD23 LEU A 105 22.260 -0.744 -3.962 1.00 31.43 H new ATOM 1745 N TYR A 106 18.099 -1.192 -5.822 1.00 25.53 N ATOM 1746 CA TYR A 106 16.924 -1.682 -5.122 1.00 30.11 C ATOM 1747 C TYR A 106 17.320 -2.568 -3.939 1.00 74.41 C ATOM 1748 O TYR A 106 18.008 -3.572 -4.114 1.00 64.31 O ATOM 1749 CB TYR A 106 16.149 -2.524 -6.137 1.00 53.35 C ATOM 1750 CG TYR A 106 17.037 -3.277 -7.129 1.00 44.44 C ATOM 1751 CD1 TYR A 106 17.788 -2.577 -8.052 1.00 60.03 C ATOM 1752 CD2 TYR A 106 17.088 -4.656 -7.101 1.00 45.43 C ATOM 1753 CE1 TYR A 106 18.625 -3.286 -8.986 1.00 15.31 C ATOM 1754 CE2 TYR A 106 17.925 -5.364 -8.035 1.00 30.31 C ATOM 1755 CZ TYR A 106 18.652 -4.644 -8.931 1.00 73.42 C ATOM 1756 OH TYR A 106 19.442 -5.314 -9.813 1.00 13.31 O ATOM 0 H TYR A 106 18.791 -1.907 -6.045 1.00 25.53 H new ATOM 0 HA TYR A 106 16.336 -0.851 -4.732 1.00 30.11 H new ATOM 0 HB2 TYR A 106 15.531 -3.243 -5.600 1.00 53.35 H new ATOM 0 HB3 TYR A 106 15.473 -1.874 -6.692 1.00 53.35 H new ATOM 0 HD1 TYR A 106 17.748 -1.498 -8.074 1.00 60.03 H new ATOM 0 HD2 TYR A 106 16.501 -5.204 -6.379 1.00 45.43 H new ATOM 0 HE1 TYR A 106 19.217 -2.751 -9.713 1.00 15.31 H new ATOM 0 HE2 TYR A 106 17.974 -6.443 -8.024 1.00 30.31 H new ATOM 0 HH TYR A 106 20.367 -5.002 -9.726 1.00 13.31 H new ATOM 1766 N VAL A 107 16.867 -2.165 -2.761 1.00 73.01 N ATOM 1767 CA VAL A 107 17.165 -2.910 -1.550 1.00 33.03 C ATOM 1768 C VAL A 107 15.953 -2.863 -0.616 1.00 63.34 C ATOM 1769 O VAL A 107 14.952 -2.219 -0.925 1.00 0.22 O ATOM 1770 CB VAL A 107 18.440 -2.367 -0.902 1.00 11.13 C ATOM 1771 CG1 VAL A 107 19.388 -1.790 -1.955 1.00 75.34 C ATOM 1772 CG2 VAL A 107 18.110 -1.324 0.168 1.00 31.44 C ATOM 0 H VAL A 107 16.296 -1.332 -2.620 1.00 73.01 H new ATOM 0 HA VAL A 107 17.356 -3.958 -1.783 1.00 33.03 H new ATOM 0 HB VAL A 107 18.948 -3.199 -0.414 1.00 11.13 H new ATOM 0 HG11 VAL A 107 20.286 -1.411 -1.467 1.00 75.34 H new ATOM 0 HG12 VAL A 107 19.662 -2.571 -2.664 1.00 75.34 H new ATOM 0 HG13 VAL A 107 18.892 -0.977 -2.484 1.00 75.34 H new ATOM 0 HG21 VAL A 107 19.034 -0.954 0.613 1.00 31.44 H new ATOM 0 HG22 VAL A 107 17.569 -0.494 -0.287 1.00 31.44 H new ATOM 0 HG23 VAL A 107 17.492 -1.779 0.942 1.00 31.44 H new ATOM 1782 N THR A 108 16.084 -3.555 0.506 1.00 2.22 N ATOM 1783 CA THR A 108 15.013 -3.600 1.486 1.00 33.25 C ATOM 1784 C THR A 108 15.584 -3.798 2.892 1.00 52.10 C ATOM 1785 O THR A 108 16.430 -4.664 3.106 1.00 63.42 O ATOM 1786 CB THR A 108 14.035 -4.700 1.068 1.00 61.14 C ATOM 1787 OG1 THR A 108 13.989 -4.601 -0.353 1.00 63.32 O ATOM 1788 CG2 THR A 108 12.599 -4.406 1.508 1.00 65.31 C ATOM 0 H THR A 108 16.916 -4.089 0.758 1.00 2.22 H new ATOM 0 HA THR A 108 14.469 -2.656 1.520 1.00 33.25 H new ATOM 0 HB THR A 108 14.357 -5.651 1.491 1.00 61.14 H new ATOM 0 HG1 THR A 108 13.378 -5.280 -0.709 1.00 63.32 H new ATOM 0 HG21 THR A 108 11.946 -5.218 1.186 1.00 65.31 H new ATOM 0 HG22 THR A 108 12.562 -4.319 2.594 1.00 65.31 H new ATOM 0 HG23 THR A 108 12.265 -3.471 1.058 1.00 65.31 H new ATOM 1796 N TYR A 109 15.098 -2.980 3.814 1.00 52.11 N ATOM 1797 CA TYR A 109 15.549 -3.054 5.193 1.00 3.11 C ATOM 1798 C TYR A 109 14.417 -3.506 6.117 1.00 12.03 C ATOM 1799 O TYR A 109 13.285 -3.041 5.992 1.00 41.52 O ATOM 1800 CB TYR A 109 15.968 -1.633 5.576 1.00 31.25 C ATOM 1801 CG TYR A 109 14.833 -0.610 5.508 1.00 35.01 C ATOM 1802 CD1 TYR A 109 14.508 -0.019 4.304 1.00 1.41 C ATOM 1803 CD2 TYR A 109 14.133 -0.278 6.651 1.00 75.55 C ATOM 1804 CE1 TYR A 109 13.439 0.944 4.240 1.00 45.42 C ATOM 1805 CE2 TYR A 109 13.064 0.685 6.586 1.00 32.52 C ATOM 1806 CZ TYR A 109 12.770 1.248 5.384 1.00 41.50 C ATOM 1807 OH TYR A 109 11.761 2.158 5.323 1.00 32.02 O ATOM 0 H TYR A 109 14.396 -2.262 3.633 1.00 52.11 H new ATOM 0 HA TYR A 109 16.364 -3.771 5.292 1.00 3.11 H new ATOM 0 HB2 TYR A 109 16.372 -1.645 6.588 1.00 31.25 H new ATOM 0 HB3 TYR A 109 16.773 -1.312 4.915 1.00 31.25 H new ATOM 0 HD1 TYR A 109 15.055 -0.279 3.410 1.00 1.41 H new ATOM 0 HD2 TYR A 109 14.387 -0.740 7.593 1.00 75.55 H new ATOM 0 HE1 TYR A 109 13.175 1.414 3.304 1.00 45.42 H new ATOM 0 HE2 TYR A 109 12.508 0.954 7.472 1.00 32.52 H new ATOM 0 HH TYR A 109 11.737 2.560 4.430 1.00 32.02 H new ATOM 1817 N SER A 110 14.761 -4.408 7.025 1.00 51.22 N ATOM 1818 CA SER A 110 13.787 -4.928 7.970 1.00 43.03 C ATOM 1819 C SER A 110 14.443 -5.132 9.337 1.00 33.51 C ATOM 1820 O SER A 110 15.650 -5.350 9.424 1.00 22.14 O ATOM 1821 CB SER A 110 13.182 -6.241 7.470 1.00 54.13 C ATOM 1822 OG SER A 110 12.190 -6.745 8.360 1.00 13.44 O ATOM 0 H SER A 110 15.701 -4.792 7.126 1.00 51.22 H new ATOM 0 HA SER A 110 12.980 -4.201 8.066 1.00 43.03 H new ATOM 0 HB2 SER A 110 12.740 -6.085 6.486 1.00 54.13 H new ATOM 0 HB3 SER A 110 13.972 -6.982 7.351 1.00 54.13 H new ATOM 0 HG SER A 110 11.310 -6.692 7.933 1.00 13.44 H new ATOM 1828 N GLY A 111 13.617 -5.055 10.371 1.00 63.44 N ATOM 1829 CA GLY A 111 14.101 -5.229 11.730 1.00 65.34 C ATOM 1830 C GLY A 111 14.519 -6.680 11.982 1.00 54.44 C ATOM 1831 O GLY A 111 15.057 -6.999 13.040 1.00 22.33 O ATOM 0 H GLY A 111 12.616 -4.874 10.295 1.00 63.44 H new ATOM 0 HA2 GLY A 111 14.949 -4.567 11.905 1.00 65.34 H new ATOM 0 HA3 GLY A 111 13.322 -4.943 12.437 1.00 65.34 H new ATOM 1835 N GLU A 112 14.254 -7.519 10.991 1.00 50.40 N ATOM 1836 CA GLU A 112 14.595 -8.927 11.092 1.00 21.40 C ATOM 1837 C GLU A 112 15.757 -9.261 10.154 1.00 54.14 C ATOM 1838 O GLU A 112 15.987 -8.558 9.171 1.00 74.03 O ATOM 1839 CB GLU A 112 13.380 -9.808 10.795 1.00 21.52 C ATOM 1840 CG GLU A 112 13.605 -11.238 11.292 1.00 12.03 C ATOM 1841 CD GLU A 112 12.273 -11.956 11.519 1.00 55.54 C ATOM 1842 OE1 GLU A 112 12.259 -13.162 11.805 1.00 71.05 O ATOM 1843 OE2 GLU A 112 11.225 -11.214 11.389 1.00 51.02 O ATOM 0 H GLU A 112 13.807 -7.250 10.114 1.00 50.40 H new ATOM 0 HA GLU A 112 14.910 -9.132 12.115 1.00 21.40 H new ATOM 0 HB2 GLU A 112 12.496 -9.388 11.274 1.00 21.52 H new ATOM 0 HB3 GLU A 112 13.187 -9.818 9.722 1.00 21.52 H new ATOM 0 HG2 GLU A 112 14.200 -11.790 10.565 1.00 12.03 H new ATOM 0 HG3 GLU A 112 14.175 -11.218 12.221 1.00 12.03 H new ATOM 1851 N ASN A 113 16.458 -10.334 10.490 1.00 51.52 N ATOM 1852 CA ASN A 113 17.590 -10.769 9.689 1.00 11.24 C ATOM 1853 C ASN A 113 17.096 -11.698 8.578 1.00 2.53 C ATOM 1854 O ASN A 113 17.634 -12.788 8.391 1.00 11.21 O ATOM 1855 CB ASN A 113 18.600 -11.543 10.539 1.00 52.13 C ATOM 1856 CG ASN A 113 19.838 -11.910 9.719 1.00 5.10 C ATOM 1857 OD1 ASN A 113 20.232 -13.061 9.623 1.00 44.42 O ATOM 1858 ND2 ASN A 113 20.428 -10.871 9.136 1.00 45.44 N ATOM 0 H ASN A 113 16.264 -10.915 11.306 1.00 51.52 H new ATOM 0 HA ASN A 113 18.071 -9.883 9.275 1.00 11.24 H new ATOM 0 HB2 ASN A 113 18.894 -10.941 11.399 1.00 52.13 H new ATOM 0 HB3 ASN A 113 18.135 -12.449 10.928 1.00 52.13 H new ATOM 0 HD21 ASN A 113 21.263 -11.012 8.567 1.00 45.44 H new ATOM 0 HD22 ASN A 113 20.046 -9.933 9.258 1.00 45.44 H new ATOM 1865 N THR A 114 16.078 -11.231 7.870 1.00 20.51 N ATOM 1866 CA THR A 114 15.506 -12.007 6.782 1.00 12.35 C ATOM 1867 C THR A 114 16.159 -11.624 5.453 1.00 3.32 C ATOM 1868 O THR A 114 16.924 -10.663 5.388 1.00 43.24 O ATOM 1869 CB THR A 114 13.991 -11.796 6.798 1.00 55.33 C ATOM 1870 OG1 THR A 114 13.838 -10.381 6.867 1.00 13.33 O ATOM 1871 CG2 THR A 114 13.341 -12.304 8.087 1.00 64.45 C ATOM 0 H THR A 114 15.635 -10.326 8.028 1.00 20.51 H new ATOM 0 HA THR A 114 15.702 -13.072 6.909 1.00 12.35 H new ATOM 0 HB THR A 114 13.546 -12.304 5.943 1.00 55.33 H new ATOM 0 HG1 THR A 114 12.884 -10.155 6.880 1.00 13.33 H new ATOM 0 HG21 THR A 114 12.266 -12.130 8.046 1.00 64.45 H new ATOM 0 HG22 THR A 114 13.532 -13.372 8.194 1.00 64.45 H new ATOM 0 HG23 THR A 114 13.762 -11.773 8.941 1.00 64.45 H new ATOM 1879 N PHE A 115 15.834 -12.395 4.427 1.00 72.35 N ATOM 1880 CA PHE A 115 16.380 -12.149 3.103 1.00 54.04 C ATOM 1881 C PHE A 115 15.358 -11.440 2.211 1.00 33.04 C ATOM 1882 O PHE A 115 15.599 -11.241 1.022 1.00 55.12 O ATOM 1883 CB PHE A 115 16.710 -13.513 2.494 1.00 33.30 C ATOM 1884 CG PHE A 115 17.809 -14.276 3.236 1.00 34.35 C ATOM 1885 CD1 PHE A 115 17.574 -14.763 4.485 1.00 44.43 C ATOM 1886 CD2 PHE A 115 19.020 -14.468 2.648 1.00 33.30 C ATOM 1887 CE1 PHE A 115 18.594 -15.471 5.174 1.00 42.12 C ATOM 1888 CE2 PHE A 115 20.039 -15.176 3.337 1.00 25.50 C ATOM 1889 CZ PHE A 115 19.805 -15.663 4.585 1.00 3.23 C ATOM 0 H PHE A 115 15.199 -13.191 4.485 1.00 72.35 H new ATOM 0 HA PHE A 115 17.262 -11.512 3.177 1.00 54.04 H new ATOM 0 HB2 PHE A 115 15.806 -14.121 2.480 1.00 33.30 H new ATOM 0 HB3 PHE A 115 17.016 -13.372 1.457 1.00 33.30 H new ATOM 0 HD1 PHE A 115 16.612 -14.611 4.952 1.00 44.43 H new ATOM 0 HD2 PHE A 115 19.206 -14.082 1.657 1.00 33.30 H new ATOM 0 HE1 PHE A 115 18.408 -15.857 6.165 1.00 42.12 H new ATOM 0 HE2 PHE A 115 21.001 -15.328 2.870 1.00 25.50 H new ATOM 0 HZ PHE A 115 20.581 -16.202 5.108 1.00 3.23 H new ATOM 1899 N GLY A 116 14.238 -11.078 2.821 1.00 24.52 N ATOM 1900 CA GLY A 116 13.179 -10.396 2.098 1.00 71.01 C ATOM 1901 C GLY A 116 12.058 -11.367 1.723 1.00 74.04 C ATOM 1902 O GLY A 116 11.938 -12.440 2.312 1.00 71.13 O ATOM 0 H GLY A 116 14.042 -11.245 3.808 1.00 24.52 H new ATOM 0 HA2 GLY A 116 12.776 -9.589 2.711 1.00 71.01 H new ATOM 0 HA3 GLY A 116 13.586 -9.939 1.196 1.00 71.01 H new TER 1906 GLY A 116