USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 961 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 91 SER OG : rot 180:sc= 0.0404 USER MOD Set 1.2: A 136 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 34 THR OG1 : rot -66:sc= 0.197 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.172 X(o=0.025,f=-0.36) USER MOD Set 3.1: A 22 SER OG : rot 74:sc= 0.813 USER MOD Set 3.2: A 107 GLN : amide:sc= 1.01 K(o=1.8,f=-1.8) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= -0.133 USER MOD Set 4.2: A 11 THR OG1 : rot -22:sc= 1.1 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0188 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.00533 X(o=-0.0053,f=-0.0053) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0635 X(o=-0.063,f=-0.063) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.537 K(o=-0.54,f=-3.2!) USER MOD Single : A 21 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.31) USER MOD Single : A 25 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.15) USER MOD Single : A 28 SER OG : rot 180:sc= -0.116 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -165:sc= -0.26 (180deg=-0.513) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 SER OG : rot 71:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.059) USER MOD Single : A 54 SER OG : rot 88:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0061 USER MOD Single : A 64 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.03) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00872) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Single : A 71 MET CE :methyl 173:sc= -0.276 (180deg=-0.426) USER MOD Single : A 75 SER OG : rot 170:sc= -0.267 USER MOD Single : A 76 SER OG : rot 120:sc= -0.112 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -66:sc= 1.24 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0.00831 (180deg=0.00527) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= 0.0716 USER MOD Single : A 99 SER OG : rot 88:sc= 0.153 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0125 K(o=-0.012,f=-0.67) USER MOD Single : A 108 THR OG1 : rot -68:sc= 0.291 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.8!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 121 THR OG1 : rot 2:sc= -0.609 USER MOD Single : A 122 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.072) USER MOD Single : A 125 SER OG : rot 180:sc= 0.126 USER MOD Single : A 126 MET CE :methyl 178:sc= -0.103 (180deg=-0.111) USER MOD Single : A 129 GLN : amide:sc= 0.8 K(o=0.8,f=-0.3) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc=-0.00324 X(o=-0.0032,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.030 1.545 20.339 1.00 43.22 N ATOM 2 CA GLY A 1 18.200 2.476 19.573 1.00 55.05 C ATOM 3 C GLY A 1 16.981 1.782 18.995 1.00 45.40 C ATOM 4 O GLY A 1 17.066 0.633 18.553 1.00 61.54 O ATOM 0 H1 GLY A 1 20.028 1.673 20.077 1.00 43.22 H new ATOM 0 H2 GLY A 1 18.913 1.731 21.355 1.00 43.22 H new ATOM 0 H3 GLY A 1 18.740 0.568 20.130 1.00 43.22 H new ATOM 0 HA2 GLY A 1 17.883 3.297 20.216 1.00 55.05 H new ATOM 0 HA3 GLY A 1 18.789 2.912 18.766 1.00 55.05 H new ATOM 8 N SER A 2 15.840 2.472 18.953 1.00 31.11 N ATOM 9 CA SER A 2 14.577 1.976 18.412 1.00 22.22 C ATOM 10 C SER A 2 14.615 2.038 16.877 1.00 42.14 C ATOM 11 O SER A 2 13.748 2.631 16.232 1.00 30.10 O ATOM 12 CB SER A 2 13.420 2.803 18.983 1.00 12.44 C ATOM 13 OG SER A 2 13.415 2.733 20.395 1.00 3.11 O ATOM 0 H SER A 2 15.769 3.426 19.308 1.00 31.11 H new ATOM 0 HA SER A 2 14.425 0.936 18.701 1.00 22.22 H new ATOM 0 HB2 SER A 2 13.514 3.841 18.664 1.00 12.44 H new ATOM 0 HB3 SER A 2 12.472 2.434 18.591 1.00 12.44 H new ATOM 0 HG SER A 2 12.672 3.267 20.746 1.00 3.11 H new ATOM 19 N GLY A 3 15.622 1.420 16.270 1.00 34.01 N ATOM 20 CA GLY A 3 15.858 1.360 14.843 1.00 34.22 C ATOM 21 C GLY A 3 17.304 0.962 14.603 1.00 61.04 C ATOM 22 O GLY A 3 18.119 0.966 15.535 1.00 2.21 O ATOM 0 H GLY A 3 16.336 0.919 16.799 1.00 34.01 H new ATOM 0 HA2 GLY A 3 15.186 0.638 14.379 1.00 34.22 H new ATOM 0 HA3 GLY A 3 15.652 2.327 14.385 1.00 34.22 H new ATOM 26 N ASN A 4 17.638 0.660 13.351 1.00 72.10 N ATOM 27 CA ASN A 4 18.984 0.256 12.957 1.00 0.22 C ATOM 28 C ASN A 4 19.395 1.109 11.766 1.00 21.33 C ATOM 29 O ASN A 4 20.340 1.884 11.889 1.00 31.23 O ATOM 30 CB ASN A 4 19.031 -1.263 12.740 1.00 11.43 C ATOM 31 CG ASN A 4 18.885 -1.972 14.083 1.00 15.31 C ATOM 32 OD1 ASN A 4 17.780 -2.332 14.480 1.00 13.42 O ATOM 33 ND2 ASN A 4 19.972 -2.142 14.824 1.00 2.13 N ATOM 0 H ASN A 4 16.976 0.689 12.575 1.00 72.10 H new ATOM 0 HA ASN A 4 19.724 0.437 13.736 1.00 0.22 H new ATOM 0 HB2 ASN A 4 18.232 -1.570 12.066 1.00 11.43 H new ATOM 0 HB3 ASN A 4 19.972 -1.545 12.268 1.00 11.43 H new ATOM 0 HD21 ASN A 4 19.900 -2.579 15.743 1.00 2.13 H new ATOM 0 HD22 ASN A 4 20.880 -1.836 14.475 1.00 2.13 H new ATOM 40 N SER A 5 18.686 0.995 10.642 1.00 54.21 N ATOM 41 CA SER A 5 18.927 1.771 9.428 1.00 43.12 C ATOM 42 C SER A 5 17.813 2.798 9.202 1.00 1.23 C ATOM 43 O SER A 5 18.051 3.795 8.527 1.00 61.11 O ATOM 44 CB SER A 5 19.019 0.858 8.207 1.00 30.34 C ATOM 45 OG SER A 5 20.151 0.020 8.280 1.00 63.21 O ATOM 0 H SER A 5 17.908 0.342 10.550 1.00 54.21 H new ATOM 0 HA SER A 5 19.875 2.293 9.560 1.00 43.12 H new ATOM 0 HB2 SER A 5 18.117 0.250 8.136 1.00 30.34 H new ATOM 0 HB3 SER A 5 19.068 1.462 7.301 1.00 30.34 H new ATOM 0 HG SER A 5 20.184 -0.555 7.487 1.00 63.21 H new ATOM 51 N HIS A 6 16.612 2.582 9.762 1.00 12.34 N ATOM 52 CA HIS A 6 15.432 3.449 9.656 1.00 61.45 C ATOM 53 C HIS A 6 14.898 3.589 8.211 1.00 53.14 C ATOM 54 O HIS A 6 13.948 4.335 7.965 1.00 62.44 O ATOM 55 CB HIS A 6 15.742 4.774 10.379 1.00 44.34 C ATOM 56 CG HIS A 6 14.603 5.745 10.536 1.00 53.25 C ATOM 57 ND1 HIS A 6 13.606 5.690 11.484 1.00 52.15 N ATOM 58 CD2 HIS A 6 14.459 6.919 9.847 1.00 70.14 C ATOM 59 CE1 HIS A 6 12.870 6.804 11.362 1.00 41.11 C ATOM 60 NE2 HIS A 6 13.344 7.581 10.369 1.00 11.33 N ATOM 0 H HIS A 6 16.431 1.754 10.330 1.00 12.34 H new ATOM 0 HA HIS A 6 14.584 2.986 10.161 1.00 61.45 H new ATOM 0 HB2 HIS A 6 16.126 4.538 11.371 1.00 44.34 H new ATOM 0 HB3 HIS A 6 16.544 5.276 9.838 1.00 44.34 H new ATOM 0 HD2 HIS A 6 15.092 7.270 9.045 1.00 70.14 H new ATOM 0 HE1 HIS A 6 12.015 7.045 11.976 1.00 41.11 H new ATOM 0 HE2 HIS A 6 12.964 8.476 10.059 1.00 11.33 H new ATOM 68 N THR A 7 15.455 2.859 7.244 1.00 2.31 N ATOM 69 CA THR A 7 15.080 2.855 5.834 1.00 42.53 C ATOM 70 C THR A 7 13.617 2.440 5.613 1.00 51.12 C ATOM 71 O THR A 7 13.047 1.692 6.420 1.00 20.21 O ATOM 72 CB THR A 7 16.074 1.949 5.081 1.00 62.21 C ATOM 73 OG1 THR A 7 16.363 0.762 5.814 1.00 35.14 O ATOM 74 CG2 THR A 7 17.398 2.691 4.881 1.00 70.00 C ATOM 0 H THR A 7 16.225 2.218 7.438 1.00 2.31 H new ATOM 0 HA THR A 7 15.139 3.869 5.438 1.00 42.53 H new ATOM 0 HB THR A 7 15.612 1.688 4.129 1.00 62.21 H new ATOM 0 HG1 THR A 7 16.995 0.210 5.307 1.00 35.14 H new ATOM 0 HG21 THR A 7 18.099 2.048 4.348 1.00 70.00 H new ATOM 0 HG22 THR A 7 17.223 3.597 4.300 1.00 70.00 H new ATOM 0 HG23 THR A 7 17.816 2.957 5.852 1.00 70.00 H new ATOM 82 N THR A 8 13.015 2.908 4.518 1.00 61.22 N ATOM 83 CA THR A 8 11.635 2.641 4.122 1.00 62.42 C ATOM 84 C THR A 8 11.539 1.507 3.100 1.00 51.22 C ATOM 85 O THR A 8 12.504 1.282 2.358 1.00 33.03 O ATOM 86 CB THR A 8 11.044 3.910 3.479 1.00 5.05 C ATOM 87 OG1 THR A 8 12.030 4.708 2.863 1.00 62.32 O ATOM 88 CG2 THR A 8 10.360 4.772 4.516 1.00 64.14 C ATOM 0 H THR A 8 13.501 3.511 3.854 1.00 61.22 H new ATOM 0 HA THR A 8 11.087 2.349 5.018 1.00 62.42 H new ATOM 0 HB THR A 8 10.335 3.559 2.729 1.00 5.05 H new ATOM 0 HG1 THR A 8 11.610 5.500 2.468 1.00 62.32 H new ATOM 0 HG21 THR A 8 9.951 5.662 4.037 1.00 64.14 H new ATOM 0 HG22 THR A 8 9.553 4.208 4.983 1.00 64.14 H new ATOM 0 HG23 THR A 8 11.082 5.069 5.276 1.00 64.14 H new ATOM 96 N PRO A 9 10.367 0.848 2.978 1.00 51.31 N ATOM 97 CA PRO A 9 10.171 -0.217 2.010 1.00 33.30 C ATOM 98 C PRO A 9 10.347 0.357 0.608 1.00 14.51 C ATOM 99 O PRO A 9 11.042 -0.218 -0.212 1.00 54.04 O ATOM 100 CB PRO A 9 8.749 -0.758 2.229 1.00 73.31 C ATOM 101 CG PRO A 9 8.032 0.357 2.981 1.00 44.31 C ATOM 102 CD PRO A 9 9.159 1.017 3.775 1.00 1.02 C ATOM 0 HA PRO A 9 10.892 -1.026 2.128 1.00 33.30 H new ATOM 0 HB2 PRO A 9 8.257 -0.979 1.282 1.00 73.31 H new ATOM 0 HB3 PRO A 9 8.760 -1.683 2.805 1.00 73.31 H new ATOM 0 HG2 PRO A 9 7.553 1.060 2.300 1.00 44.31 H new ATOM 0 HG3 PRO A 9 7.253 -0.034 3.635 1.00 44.31 H new ATOM 0 HD2 PRO A 9 8.949 2.073 3.946 1.00 1.02 H new ATOM 0 HD3 PRO A 9 9.270 0.552 4.754 1.00 1.02 H new ATOM 110 N TRP A 10 9.799 1.546 0.354 1.00 22.21 N ATOM 111 CA TRP A 10 9.860 2.217 -0.930 1.00 20.43 C ATOM 112 C TRP A 10 11.302 2.473 -1.369 1.00 51.53 C ATOM 113 O TRP A 10 11.542 2.557 -2.573 1.00 63.11 O ATOM 114 CB TRP A 10 9.024 3.501 -0.863 1.00 65.43 C ATOM 115 CG TRP A 10 7.703 3.345 -0.170 1.00 70.30 C ATOM 116 CD1 TRP A 10 7.466 3.655 1.124 1.00 63.12 C ATOM 117 CD2 TRP A 10 6.434 2.841 -0.696 1.00 72.33 C ATOM 118 NE1 TRP A 10 6.169 3.324 1.447 1.00 45.10 N ATOM 119 CE2 TRP A 10 5.478 2.844 0.362 1.00 73.34 C ATOM 120 CE3 TRP A 10 5.962 2.444 -1.966 1.00 70.34 C ATOM 121 CZ2 TRP A 10 4.142 2.468 0.170 1.00 34.24 C ATOM 122 CZ3 TRP A 10 4.618 2.084 -2.178 1.00 32.43 C ATOM 123 CH2 TRP A 10 3.707 2.093 -1.109 1.00 33.43 C ATOM 0 H TRP A 10 9.288 2.077 1.060 1.00 22.21 H new ATOM 0 HA TRP A 10 9.435 1.570 -1.697 1.00 20.43 H new ATOM 0 HB2 TRP A 10 9.601 4.270 -0.349 1.00 65.43 H new ATOM 0 HB3 TRP A 10 8.848 3.859 -1.877 1.00 65.43 H new ATOM 0 HD1 TRP A 10 8.184 4.095 1.801 1.00 63.12 H new ATOM 0 HE1 TRP A 10 5.770 3.423 2.380 1.00 45.10 H new ATOM 0 HE3 TRP A 10 6.651 2.416 -2.797 1.00 70.34 H new ATOM 0 HZ2 TRP A 10 3.452 2.467 1.001 1.00 34.24 H new ATOM 0 HZ3 TRP A 10 4.286 1.800 -3.166 1.00 32.43 H new ATOM 0 HH2 TRP A 10 2.677 1.813 -1.271 1.00 33.43 H new ATOM 134 N THR A 11 12.254 2.559 -0.429 1.00 22.33 N ATOM 135 CA THR A 11 13.663 2.792 -0.786 1.00 21.52 C ATOM 136 C THR A 11 14.474 1.518 -1.057 1.00 50.32 C ATOM 137 O THR A 11 15.548 1.614 -1.655 1.00 33.11 O ATOM 138 CB THR A 11 14.375 3.672 0.256 1.00 61.15 C ATOM 139 OG1 THR A 11 14.413 3.123 1.565 1.00 50.24 O ATOM 140 CG2 THR A 11 13.717 5.049 0.273 1.00 0.13 C ATOM 0 H THR A 11 12.079 2.472 0.572 1.00 22.33 H new ATOM 0 HA THR A 11 13.619 3.325 -1.736 1.00 21.52 H new ATOM 0 HB THR A 11 15.418 3.740 -0.052 1.00 61.15 H new ATOM 0 HG1 THR A 11 13.699 2.459 1.662 1.00 50.24 H new ATOM 0 HG21 THR A 11 14.214 5.681 1.009 1.00 0.13 H new ATOM 0 HG22 THR A 11 13.802 5.505 -0.713 1.00 0.13 H new ATOM 0 HG23 THR A 11 12.664 4.946 0.536 1.00 0.13 H new ATOM 148 N ASN A 12 14.010 0.338 -0.642 1.00 71.24 N ATOM 149 CA ASN A 12 14.739 -0.923 -0.853 1.00 35.43 C ATOM 150 C ASN A 12 13.843 -1.953 -1.540 1.00 62.11 C ATOM 151 O ASN A 12 12.755 -2.226 -1.046 1.00 25.20 O ATOM 152 CB ASN A 12 15.257 -1.510 0.463 1.00 70.24 C ATOM 153 CG ASN A 12 16.538 -0.867 0.962 1.00 43.44 C ATOM 154 OD1 ASN A 12 16.540 -0.150 1.957 1.00 65.41 O ATOM 155 ND2 ASN A 12 17.670 -1.138 0.336 1.00 23.40 N ATOM 0 H ASN A 12 13.123 0.225 -0.152 1.00 71.24 H new ATOM 0 HA ASN A 12 15.594 -0.692 -1.489 1.00 35.43 H new ATOM 0 HB2 ASN A 12 14.486 -1.401 1.226 1.00 70.24 H new ATOM 0 HB3 ASN A 12 15.426 -2.579 0.331 1.00 70.24 H new ATOM 0 HD21 ASN A 12 18.549 -0.751 0.680 1.00 23.40 H new ATOM 0 HD22 ASN A 12 17.665 -1.735 -0.491 1.00 23.40 H new ATOM 162 N PRO A 13 14.285 -2.595 -2.633 1.00 73.20 N ATOM 163 CA PRO A 13 13.462 -3.565 -3.350 1.00 43.20 C ATOM 164 C PRO A 13 13.109 -4.791 -2.509 1.00 54.51 C ATOM 165 O PRO A 13 11.931 -5.123 -2.425 1.00 30.50 O ATOM 166 CB PRO A 13 14.220 -3.904 -4.632 1.00 14.22 C ATOM 167 CG PRO A 13 15.665 -3.543 -4.298 1.00 50.43 C ATOM 168 CD PRO A 13 15.555 -2.397 -3.307 1.00 15.12 C ATOM 0 HA PRO A 13 12.486 -3.141 -3.588 1.00 43.20 H new ATOM 0 HB2 PRO A 13 14.119 -4.958 -4.891 1.00 14.22 H new ATOM 0 HB3 PRO A 13 13.849 -3.330 -5.481 1.00 14.22 H new ATOM 0 HG2 PRO A 13 16.196 -4.391 -3.866 1.00 50.43 H new ATOM 0 HG3 PRO A 13 16.215 -3.244 -5.190 1.00 50.43 H new ATOM 0 HD2 PRO A 13 16.383 -2.409 -2.598 1.00 15.12 H new ATOM 0 HD3 PRO A 13 15.585 -1.433 -3.815 1.00 15.12 H new ATOM 176 N GLY A 14 14.075 -5.434 -1.847 1.00 5.43 N ATOM 177 CA GLY A 14 13.790 -6.603 -1.024 1.00 23.23 C ATOM 178 C GLY A 14 12.872 -6.262 0.149 1.00 51.45 C ATOM 179 O GLY A 14 12.006 -7.066 0.497 1.00 35.43 O ATOM 0 H GLY A 14 15.058 -5.162 -1.867 1.00 5.43 H new ATOM 0 HA2 GLY A 14 13.324 -7.374 -1.637 1.00 23.23 H new ATOM 0 HA3 GLY A 14 14.724 -7.017 -0.646 1.00 23.23 H new ATOM 183 N LEU A 15 13.052 -5.074 0.740 1.00 64.44 N ATOM 184 CA LEU A 15 12.244 -4.597 1.856 1.00 1.22 C ATOM 185 C LEU A 15 10.810 -4.438 1.346 1.00 61.25 C ATOM 186 O LEU A 15 9.878 -4.905 1.995 1.00 40.40 O ATOM 187 CB LEU A 15 12.823 -3.277 2.399 1.00 1.11 C ATOM 188 CG LEU A 15 12.526 -2.943 3.878 1.00 62.34 C ATOM 189 CD1 LEU A 15 11.110 -3.259 4.364 1.00 1.41 C ATOM 190 CD2 LEU A 15 13.523 -3.658 4.789 1.00 23.14 C ATOM 0 H LEU A 15 13.773 -4.414 0.449 1.00 64.44 H new ATOM 0 HA LEU A 15 12.252 -5.303 2.687 1.00 1.22 H new ATOM 0 HB2 LEU A 15 13.905 -3.300 2.266 1.00 1.11 H new ATOM 0 HB3 LEU A 15 12.444 -2.461 1.784 1.00 1.11 H new ATOM 0 HG LEU A 15 12.624 -1.859 3.931 1.00 62.34 H new ATOM 0 HD11 LEU A 15 11.016 -2.984 5.415 1.00 1.41 H new ATOM 0 HD12 LEU A 15 10.388 -2.693 3.775 1.00 1.41 H new ATOM 0 HD13 LEU A 15 10.915 -4.325 4.249 1.00 1.41 H new ATOM 0 HD21 LEU A 15 13.304 -3.415 5.829 1.00 23.14 H new ATOM 0 HD22 LEU A 15 13.442 -4.735 4.643 1.00 23.14 H new ATOM 0 HD23 LEU A 15 14.535 -3.334 4.546 1.00 23.14 H new ATOM 202 N ALA A 16 10.628 -3.797 0.183 1.00 33.04 N ATOM 203 CA ALA A 16 9.315 -3.615 -0.412 1.00 43.04 C ATOM 204 C ALA A 16 8.710 -4.979 -0.711 1.00 40.12 C ATOM 205 O ALA A 16 7.546 -5.184 -0.404 1.00 50.30 O ATOM 206 CB ALA A 16 9.390 -2.800 -1.703 1.00 43.11 C ATOM 0 H ALA A 16 11.390 -3.395 -0.363 1.00 33.04 H new ATOM 0 HA ALA A 16 8.693 -3.068 0.296 1.00 43.04 H new ATOM 0 HB1 ALA A 16 8.389 -2.685 -2.119 1.00 43.11 H new ATOM 0 HB2 ALA A 16 9.810 -1.817 -1.489 1.00 43.11 H new ATOM 0 HB3 ALA A 16 10.025 -3.316 -2.423 1.00 43.11 H new ATOM 212 N GLU A 17 9.474 -5.911 -1.283 1.00 72.15 N ATOM 213 CA GLU A 17 9.004 -7.249 -1.611 1.00 61.33 C ATOM 214 C GLU A 17 8.449 -7.938 -0.357 1.00 1.11 C ATOM 215 O GLU A 17 7.375 -8.539 -0.424 1.00 74.52 O ATOM 216 CB GLU A 17 10.128 -8.038 -2.304 1.00 33.44 C ATOM 217 CG GLU A 17 9.628 -9.408 -2.772 1.00 44.41 C ATOM 218 CD GLU A 17 10.587 -10.113 -3.737 1.00 33.23 C ATOM 219 OE1 GLU A 17 11.814 -10.174 -3.488 1.00 63.12 O ATOM 220 OE2 GLU A 17 10.090 -10.701 -4.725 1.00 2.51 O ATOM 0 H GLU A 17 10.450 -5.751 -1.533 1.00 72.15 H new ATOM 0 HA GLU A 17 8.177 -7.198 -2.319 1.00 61.33 H new ATOM 0 HB2 GLU A 17 10.502 -7.472 -3.157 1.00 33.44 H new ATOM 0 HB3 GLU A 17 10.964 -8.167 -1.616 1.00 33.44 H new ATOM 0 HG2 GLU A 17 9.469 -10.044 -1.901 1.00 44.41 H new ATOM 0 HG3 GLU A 17 8.660 -9.286 -3.259 1.00 44.41 H new ATOM 227 N ASN A 18 9.149 -7.818 0.779 1.00 42.54 N ATOM 228 CA ASN A 18 8.748 -8.392 2.063 1.00 5.42 C ATOM 229 C ASN A 18 7.474 -7.706 2.557 1.00 44.22 C ATOM 230 O ASN A 18 6.491 -8.376 2.872 1.00 1.34 O ATOM 231 CB ASN A 18 9.880 -8.236 3.097 1.00 55.35 C ATOM 232 CG ASN A 18 9.500 -8.792 4.469 1.00 4.33 C ATOM 233 OD1 ASN A 18 8.533 -8.383 5.088 1.00 13.23 O ATOM 234 ND2 ASN A 18 10.275 -9.708 5.021 1.00 15.40 N ATOM 0 H ASN A 18 10.030 -7.306 0.828 1.00 42.54 H new ATOM 0 HA ASN A 18 8.550 -9.456 1.932 1.00 5.42 H new ATOM 0 HB2 ASN A 18 10.771 -8.748 2.735 1.00 55.35 H new ATOM 0 HB3 ASN A 18 10.136 -7.181 3.194 1.00 55.35 H new ATOM 0 HD21 ASN A 18 10.061 -10.063 5.953 1.00 15.40 H new ATOM 0 HD22 ASN A 18 11.088 -10.060 4.515 1.00 15.40 H new ATOM 241 N PHE A 19 7.483 -6.370 2.591 1.00 14.20 N ATOM 242 CA PHE A 19 6.365 -5.551 3.037 1.00 11.50 C ATOM 243 C PHE A 19 5.103 -5.907 2.254 1.00 63.40 C ATOM 244 O PHE A 19 4.045 -6.139 2.841 1.00 62.33 O ATOM 245 CB PHE A 19 6.727 -4.067 2.846 1.00 3.44 C ATOM 246 CG PHE A 19 5.641 -3.094 3.256 1.00 20.55 C ATOM 247 CD1 PHE A 19 5.217 -2.097 2.355 1.00 34.41 C ATOM 248 CD2 PHE A 19 5.048 -3.187 4.532 1.00 31.43 C ATOM 249 CE1 PHE A 19 4.193 -1.208 2.728 1.00 71.24 C ATOM 250 CE2 PHE A 19 4.023 -2.299 4.900 1.00 62.34 C ATOM 251 CZ PHE A 19 3.593 -1.315 3.994 1.00 74.23 C ATOM 0 H PHE A 19 8.291 -5.820 2.301 1.00 14.20 H new ATOM 0 HA PHE A 19 6.167 -5.739 4.092 1.00 11.50 H new ATOM 0 HB2 PHE A 19 7.627 -3.849 3.421 1.00 3.44 H new ATOM 0 HB3 PHE A 19 6.970 -3.898 1.797 1.00 3.44 H new ATOM 0 HD1 PHE A 19 5.677 -2.016 1.381 1.00 34.41 H new ATOM 0 HD2 PHE A 19 5.382 -3.942 5.228 1.00 31.43 H new ATOM 0 HE1 PHE A 19 3.867 -0.442 2.040 1.00 71.24 H new ATOM 0 HE2 PHE A 19 3.567 -2.373 5.876 1.00 62.34 H new ATOM 0 HZ PHE A 19 2.798 -0.638 4.272 1.00 74.23 H new ATOM 261 N LEU A 20 5.233 -5.954 0.927 1.00 3.51 N ATOM 262 CA LEU A 20 4.174 -6.280 -0.004 1.00 43.23 C ATOM 263 C LEU A 20 3.701 -7.697 0.279 1.00 13.21 C ATOM 264 O LEU A 20 2.505 -7.876 0.422 1.00 23.25 O ATOM 265 CB LEU A 20 4.654 -6.114 -1.457 1.00 74.34 C ATOM 266 CG LEU A 20 4.840 -4.638 -1.872 1.00 24.33 C ATOM 267 CD1 LEU A 20 5.722 -4.524 -3.121 1.00 73.11 C ATOM 268 CD2 LEU A 20 3.503 -3.936 -2.123 1.00 12.02 C ATOM 0 H LEU A 20 6.119 -5.756 0.462 1.00 3.51 H new ATOM 0 HA LEU A 20 3.336 -5.595 0.127 1.00 43.23 H new ATOM 0 HB2 LEU A 20 5.599 -6.642 -1.583 1.00 74.34 H new ATOM 0 HB3 LEU A 20 3.934 -6.585 -2.127 1.00 74.34 H new ATOM 0 HG LEU A 20 5.333 -4.140 -1.037 1.00 24.33 H new ATOM 0 HD11 LEU A 20 5.836 -3.474 -3.391 1.00 73.11 H new ATOM 0 HD12 LEU A 20 6.702 -4.955 -2.915 1.00 73.11 H new ATOM 0 HD13 LEU A 20 5.256 -5.062 -3.946 1.00 73.11 H new ATOM 0 HD21 LEU A 20 3.684 -2.901 -2.412 1.00 12.02 H new ATOM 0 HD22 LEU A 20 2.968 -4.448 -2.923 1.00 12.02 H new ATOM 0 HD23 LEU A 20 2.904 -3.959 -1.213 1.00 12.02 H new ATOM 280 N ASN A 21 4.595 -8.681 0.429 1.00 42.34 N ATOM 281 CA ASN A 21 4.236 -10.075 0.706 1.00 72.41 C ATOM 282 C ASN A 21 3.382 -10.158 1.972 1.00 32.25 C ATOM 283 O ASN A 21 2.285 -10.720 1.952 1.00 1.35 O ATOM 284 CB ASN A 21 5.520 -10.922 0.814 1.00 23.21 C ATOM 285 CG ASN A 21 5.307 -12.313 1.398 1.00 12.21 C ATOM 286 OD1 ASN A 21 4.267 -12.943 1.247 1.00 14.04 O ATOM 287 ND2 ASN A 21 6.305 -12.841 2.084 1.00 21.40 N ATOM 0 H ASN A 21 5.601 -8.529 0.360 1.00 42.34 H new ATOM 0 HA ASN A 21 3.637 -10.476 -0.112 1.00 72.41 H new ATOM 0 HB2 ASN A 21 5.960 -11.021 -0.178 1.00 23.21 H new ATOM 0 HB3 ASN A 21 6.242 -10.388 1.432 1.00 23.21 H new ATOM 0 HD21 ASN A 21 6.210 -13.773 2.488 1.00 21.40 H new ATOM 0 HD22 ASN A 21 7.171 -12.317 2.210 1.00 21.40 H new ATOM 294 N SER A 22 3.857 -9.558 3.062 1.00 2.02 N ATOM 295 CA SER A 22 3.169 -9.538 4.342 1.00 44.42 C ATOM 296 C SER A 22 1.784 -8.885 4.204 1.00 4.42 C ATOM 297 O SER A 22 0.784 -9.433 4.681 1.00 71.43 O ATOM 298 CB SER A 22 4.065 -8.817 5.355 1.00 41.54 C ATOM 299 OG SER A 22 3.536 -8.943 6.653 1.00 31.05 O ATOM 0 H SER A 22 4.749 -9.064 3.075 1.00 2.02 H new ATOM 0 HA SER A 22 2.988 -10.552 4.698 1.00 44.42 H new ATOM 0 HB2 SER A 22 5.071 -9.235 5.323 1.00 41.54 H new ATOM 0 HB3 SER A 22 4.149 -7.763 5.090 1.00 41.54 H new ATOM 0 HG SER A 22 3.690 -9.853 6.982 1.00 31.05 H new ATOM 305 N PHE A 23 1.706 -7.727 3.541 1.00 53.40 N ATOM 306 CA PHE A 23 0.452 -7.019 3.340 1.00 73.55 C ATOM 307 C PHE A 23 -0.503 -7.818 2.455 1.00 43.05 C ATOM 308 O PHE A 23 -1.665 -7.958 2.809 1.00 1.11 O ATOM 309 CB PHE A 23 0.707 -5.631 2.735 1.00 41.21 C ATOM 310 CG PHE A 23 -0.569 -4.908 2.329 1.00 25.54 C ATOM 311 CD1 PHE A 23 -0.934 -4.831 0.971 1.00 73.53 C ATOM 312 CD2 PHE A 23 -1.429 -4.378 3.312 1.00 65.51 C ATOM 313 CE1 PHE A 23 -2.138 -4.210 0.596 1.00 32.24 C ATOM 314 CE2 PHE A 23 -2.637 -3.763 2.936 1.00 74.21 C ATOM 315 CZ PHE A 23 -2.988 -3.672 1.577 1.00 32.33 C ATOM 0 H PHE A 23 2.515 -7.259 3.131 1.00 53.40 H new ATOM 0 HA PHE A 23 -0.019 -6.895 4.315 1.00 73.55 H new ATOM 0 HB2 PHE A 23 1.248 -5.021 3.458 1.00 41.21 H new ATOM 0 HB3 PHE A 23 1.351 -5.736 1.862 1.00 41.21 H new ATOM 0 HD1 PHE A 23 -0.287 -5.251 0.215 1.00 73.53 H new ATOM 0 HD2 PHE A 23 -1.160 -4.444 4.356 1.00 65.51 H new ATOM 0 HE1 PHE A 23 -2.410 -4.146 -0.447 1.00 32.24 H new ATOM 0 HE2 PHE A 23 -3.295 -3.360 3.691 1.00 74.21 H new ATOM 0 HZ PHE A 23 -3.910 -3.189 1.288 1.00 32.33 H new ATOM 325 N LEU A 24 -0.032 -8.339 1.324 1.00 15.33 N ATOM 326 CA LEU A 24 -0.817 -9.104 0.359 1.00 70.12 C ATOM 327 C LEU A 24 -1.418 -10.348 1.003 1.00 71.31 C ATOM 328 O LEU A 24 -2.629 -10.544 0.925 1.00 45.42 O ATOM 329 CB LEU A 24 0.054 -9.560 -0.836 1.00 75.24 C ATOM 330 CG LEU A 24 0.467 -8.494 -1.874 1.00 15.05 C ATOM 331 CD1 LEU A 24 1.631 -9.034 -2.715 1.00 1.52 C ATOM 332 CD2 LEU A 24 -0.671 -8.120 -2.827 1.00 32.23 C ATOM 0 H LEU A 24 0.944 -8.236 1.045 1.00 15.33 H new ATOM 0 HA LEU A 24 -1.611 -8.444 0.009 1.00 70.12 H new ATOM 0 HB2 LEU A 24 0.964 -10.008 -0.436 1.00 75.24 H new ATOM 0 HB3 LEU A 24 -0.485 -10.348 -1.362 1.00 75.24 H new ATOM 0 HG LEU A 24 0.749 -7.601 -1.316 1.00 15.05 H new ATOM 0 HD11 LEU A 24 1.927 -8.285 -3.450 1.00 1.52 H new ATOM 0 HD12 LEU A 24 2.476 -9.258 -2.065 1.00 1.52 H new ATOM 0 HD13 LEU A 24 1.318 -9.943 -3.229 1.00 1.52 H new ATOM 0 HD21 LEU A 24 -0.321 -7.367 -3.533 1.00 32.23 H new ATOM 0 HD22 LEU A 24 -0.995 -9.006 -3.372 1.00 32.23 H new ATOM 0 HD23 LEU A 24 -1.508 -7.720 -2.255 1.00 32.23 H new ATOM 344 N GLN A 25 -0.607 -11.174 1.668 1.00 70.34 N ATOM 345 CA GLN A 25 -1.073 -12.407 2.304 1.00 62.51 C ATOM 346 C GLN A 25 -2.066 -12.116 3.412 1.00 41.25 C ATOM 347 O GLN A 25 -3.125 -12.735 3.519 1.00 14.33 O ATOM 348 CB GLN A 25 0.135 -13.227 2.791 1.00 54.24 C ATOM 349 CG GLN A 25 0.901 -12.853 4.068 1.00 20.34 C ATOM 350 CD GLN A 25 0.319 -13.427 5.354 1.00 14.32 C ATOM 351 OE1 GLN A 25 0.102 -14.633 5.474 1.00 3.24 O ATOM 352 NE2 GLN A 25 0.101 -12.579 6.346 1.00 44.44 N ATOM 0 H GLN A 25 0.393 -11.006 1.780 1.00 70.34 H new ATOM 0 HA GLN A 25 -1.610 -13.008 1.570 1.00 62.51 H new ATOM 0 HB2 GLN A 25 -0.210 -14.253 2.919 1.00 54.24 H new ATOM 0 HB3 GLN A 25 0.861 -13.234 1.978 1.00 54.24 H new ATOM 0 HG2 GLN A 25 1.932 -13.193 3.969 1.00 20.34 H new ATOM 0 HG3 GLN A 25 0.930 -11.767 4.152 1.00 20.34 H new ATOM 0 HE21 GLN A 25 0.290 -11.585 6.218 1.00 44.44 H new ATOM 0 HE22 GLN A 25 -0.256 -12.919 7.239 1.00 44.44 H new ATOM 361 N GLY A 26 -1.717 -11.123 4.212 1.00 34.35 N ATOM 362 CA GLY A 26 -2.493 -10.682 5.333 1.00 23.13 C ATOM 363 C GLY A 26 -3.851 -10.155 4.872 1.00 35.34 C ATOM 364 O GLY A 26 -4.901 -10.576 5.364 1.00 24.13 O ATOM 0 H GLY A 26 -0.856 -10.591 4.086 1.00 34.35 H new ATOM 0 HA2 GLY A 26 -2.635 -11.507 6.031 1.00 23.13 H new ATOM 0 HA3 GLY A 26 -1.956 -9.899 5.869 1.00 23.13 H new ATOM 368 N LEU A 27 -3.850 -9.269 3.872 1.00 12.24 N ATOM 369 CA LEU A 27 -5.052 -8.684 3.296 1.00 51.42 C ATOM 370 C LEU A 27 -5.882 -9.789 2.655 1.00 4.12 C ATOM 371 O LEU A 27 -7.102 -9.710 2.712 1.00 20.21 O ATOM 372 CB LEU A 27 -4.695 -7.647 2.223 1.00 50.22 C ATOM 373 CG LEU A 27 -5.877 -6.822 1.688 1.00 14.20 C ATOM 374 CD1 LEU A 27 -6.209 -5.672 2.639 1.00 3.55 C ATOM 375 CD2 LEU A 27 -5.517 -6.285 0.300 1.00 21.31 C ATOM 0 H LEU A 27 -2.991 -8.935 3.435 1.00 12.24 H new ATOM 0 HA LEU A 27 -5.614 -8.190 4.089 1.00 51.42 H new ATOM 0 HB2 LEU A 27 -3.953 -6.963 2.635 1.00 50.22 H new ATOM 0 HB3 LEU A 27 -4.224 -8.162 1.386 1.00 50.22 H new ATOM 0 HG LEU A 27 -6.760 -7.457 1.617 1.00 14.20 H new ATOM 0 HD11 LEU A 27 -7.048 -5.101 2.241 1.00 3.55 H new ATOM 0 HD12 LEU A 27 -6.475 -6.074 3.617 1.00 3.55 H new ATOM 0 HD13 LEU A 27 -5.341 -5.020 2.738 1.00 3.55 H new ATOM 0 HD21 LEU A 27 -6.348 -5.698 -0.090 1.00 21.31 H new ATOM 0 HD22 LEU A 27 -4.630 -5.655 0.372 1.00 21.31 H new ATOM 0 HD23 LEU A 27 -5.316 -7.119 -0.372 1.00 21.31 H new ATOM 387 N SER A 28 -5.259 -10.824 2.087 1.00 31.14 N ATOM 388 CA SER A 28 -5.968 -11.927 1.457 1.00 1.10 C ATOM 389 C SER A 28 -6.882 -12.650 2.444 1.00 32.41 C ATOM 390 O SER A 28 -7.864 -13.279 2.042 1.00 33.40 O ATOM 391 CB SER A 28 -4.968 -12.928 0.863 1.00 10.34 C ATOM 392 OG SER A 28 -5.500 -13.515 -0.300 1.00 64.22 O ATOM 0 H SER A 28 -4.244 -10.916 2.054 1.00 31.14 H new ATOM 0 HA SER A 28 -6.587 -11.506 0.664 1.00 1.10 H new ATOM 0 HB2 SER A 28 -4.032 -12.422 0.628 1.00 10.34 H new ATOM 0 HB3 SER A 28 -4.737 -13.701 1.596 1.00 10.34 H new ATOM 0 HG SER A 28 -4.853 -14.151 -0.671 1.00 64.22 H new ATOM 398 N SER A 29 -6.558 -12.603 3.736 1.00 53.11 N ATOM 399 CA SER A 29 -7.343 -13.230 4.780 1.00 65.54 C ATOM 400 C SER A 29 -8.333 -12.238 5.388 1.00 24.40 C ATOM 401 O SER A 29 -9.280 -12.651 6.061 1.00 73.55 O ATOM 402 CB SER A 29 -6.369 -13.778 5.815 1.00 65.24 C ATOM 403 OG SER A 29 -6.960 -14.804 6.585 1.00 61.31 O ATOM 0 H SER A 29 -5.730 -12.120 4.084 1.00 53.11 H new ATOM 0 HA SER A 29 -7.945 -14.045 4.377 1.00 65.54 H new ATOM 0 HB2 SER A 29 -5.481 -14.163 5.314 1.00 65.24 H new ATOM 0 HB3 SER A 29 -6.041 -12.972 6.471 1.00 65.24 H new ATOM 0 HG SER A 29 -6.311 -15.137 7.239 1.00 61.31 H new ATOM 409 N MET A 30 -8.123 -10.934 5.206 1.00 74.41 N ATOM 410 CA MET A 30 -9.010 -9.910 5.726 1.00 24.23 C ATOM 411 C MET A 30 -10.298 -9.921 4.884 1.00 32.15 C ATOM 412 O MET A 30 -10.289 -10.331 3.719 1.00 74.21 O ATOM 413 CB MET A 30 -8.264 -8.567 5.770 1.00 1.14 C ATOM 414 CG MET A 30 -7.282 -8.549 6.949 1.00 24.53 C ATOM 415 SD MET A 30 -8.037 -8.335 8.585 1.00 41.14 S ATOM 416 CE MET A 30 -8.430 -6.574 8.480 1.00 0.50 C ATOM 0 H MET A 30 -7.326 -10.563 4.689 1.00 74.41 H new ATOM 0 HA MET A 30 -9.315 -10.099 6.755 1.00 24.23 H new ATOM 0 HB2 MET A 30 -7.725 -8.410 4.835 1.00 1.14 H new ATOM 0 HB3 MET A 30 -8.977 -7.749 5.868 1.00 1.14 H new ATOM 0 HG2 MET A 30 -6.720 -9.483 6.946 1.00 24.53 H new ATOM 0 HG3 MET A 30 -6.564 -7.744 6.790 1.00 24.53 H new ATOM 0 HE1 MET A 30 -8.655 -6.191 9.476 1.00 0.50 H new ATOM 0 HE2 MET A 30 -7.577 -6.035 8.068 1.00 0.50 H new ATOM 0 HE3 MET A 30 -9.295 -6.432 7.833 1.00 0.50 H new ATOM 426 N PRO A 31 -11.415 -9.411 5.417 1.00 32.55 N ATOM 427 CA PRO A 31 -12.706 -9.403 4.727 1.00 74.12 C ATOM 428 C PRO A 31 -12.876 -8.434 3.552 1.00 42.25 C ATOM 429 O PRO A 31 -13.907 -8.476 2.875 1.00 32.13 O ATOM 430 CB PRO A 31 -13.719 -9.097 5.835 1.00 42.10 C ATOM 431 CG PRO A 31 -12.923 -8.285 6.851 1.00 3.42 C ATOM 432 CD PRO A 31 -11.542 -8.907 6.775 1.00 25.31 C ATOM 0 HA PRO A 31 -12.834 -10.364 4.229 1.00 74.12 H new ATOM 0 HB2 PRO A 31 -14.570 -8.533 5.453 1.00 42.10 H new ATOM 0 HB3 PRO A 31 -14.115 -10.011 6.277 1.00 42.10 H new ATOM 0 HG2 PRO A 31 -12.903 -7.226 6.595 1.00 3.42 H new ATOM 0 HG3 PRO A 31 -13.347 -8.364 7.852 1.00 3.42 H new ATOM 0 HD2 PRO A 31 -10.768 -8.171 6.994 1.00 25.31 H new ATOM 0 HD3 PRO A 31 -11.433 -9.711 7.503 1.00 25.31 H new ATOM 440 N GLY A 32 -11.926 -7.534 3.315 1.00 43.30 N ATOM 441 CA GLY A 32 -11.975 -6.552 2.239 1.00 10.24 C ATOM 442 C GLY A 32 -11.784 -7.189 0.869 1.00 15.34 C ATOM 443 O GLY A 32 -12.750 -7.365 0.129 1.00 44.03 O ATOM 0 H GLY A 32 -11.080 -7.467 3.881 1.00 43.30 H new ATOM 0 HA2 GLY A 32 -12.933 -6.033 2.266 1.00 10.24 H new ATOM 0 HA3 GLY A 32 -11.202 -5.801 2.399 1.00 10.24 H new ATOM 447 N PHE A 33 -10.535 -7.385 0.454 1.00 2.13 N ATOM 448 CA PHE A 33 -10.207 -8.015 -0.817 1.00 51.34 C ATOM 449 C PHE A 33 -10.207 -9.527 -0.580 1.00 11.11 C ATOM 450 O PHE A 33 -10.232 -9.972 0.571 1.00 0.03 O ATOM 451 CB PHE A 33 -8.830 -7.540 -1.310 1.00 50.20 C ATOM 452 CG PHE A 33 -8.699 -6.053 -1.589 1.00 4.41 C ATOM 453 CD1 PHE A 33 -8.755 -5.131 -0.529 1.00 42.13 C ATOM 454 CD2 PHE A 33 -8.478 -5.581 -2.898 1.00 44.32 C ATOM 455 CE1 PHE A 33 -8.686 -3.759 -0.784 1.00 44.15 C ATOM 456 CE2 PHE A 33 -8.363 -4.201 -3.141 1.00 42.15 C ATOM 457 CZ PHE A 33 -8.499 -3.284 -2.089 1.00 32.10 C ATOM 0 H PHE A 33 -9.717 -7.108 0.997 1.00 2.13 H new ATOM 0 HA PHE A 33 -10.934 -7.748 -1.584 1.00 51.34 H new ATOM 0 HB2 PHE A 33 -8.084 -7.817 -0.565 1.00 50.20 H new ATOM 0 HB3 PHE A 33 -8.586 -8.084 -2.223 1.00 50.20 H new ATOM 0 HD1 PHE A 33 -8.852 -5.485 0.487 1.00 42.13 H new ATOM 0 HD2 PHE A 33 -8.397 -6.281 -3.717 1.00 44.32 H new ATOM 0 HE1 PHE A 33 -8.778 -3.058 0.032 1.00 44.15 H new ATOM 0 HE2 PHE A 33 -8.169 -3.846 -4.142 1.00 42.15 H new ATOM 0 HZ PHE A 33 -8.460 -2.222 -2.283 1.00 32.10 H new ATOM 467 N THR A 34 -10.137 -10.316 -1.648 1.00 41.40 N ATOM 468 CA THR A 34 -10.118 -11.769 -1.565 1.00 43.54 C ATOM 469 C THR A 34 -8.920 -12.274 -2.365 1.00 52.40 C ATOM 470 O THR A 34 -8.353 -11.521 -3.166 1.00 71.51 O ATOM 471 CB THR A 34 -11.457 -12.344 -2.060 1.00 43.34 C ATOM 472 OG1 THR A 34 -11.586 -12.122 -3.449 1.00 21.14 O ATOM 473 CG2 THR A 34 -12.651 -11.725 -1.321 1.00 41.23 C ATOM 0 H THR A 34 -10.092 -9.960 -2.603 1.00 41.40 H new ATOM 0 HA THR A 34 -10.006 -12.105 -0.534 1.00 43.54 H new ATOM 0 HB THR A 34 -11.458 -13.414 -1.854 1.00 43.34 H new ATOM 0 HG1 THR A 34 -11.655 -11.160 -3.622 1.00 21.14 H new ATOM 0 HG21 THR A 34 -13.577 -12.157 -1.700 1.00 41.23 H new ATOM 0 HG22 THR A 34 -12.564 -11.930 -0.254 1.00 41.23 H new ATOM 0 HG23 THR A 34 -12.661 -10.647 -1.484 1.00 41.23 H new ATOM 481 N ALA A 35 -8.576 -13.555 -2.222 1.00 44.03 N ATOM 482 CA ALA A 35 -7.452 -14.201 -2.891 1.00 61.22 C ATOM 483 C ALA A 35 -7.434 -13.979 -4.405 1.00 45.14 C ATOM 484 O ALA A 35 -6.358 -13.998 -5.009 1.00 71.43 O ATOM 485 CB ALA A 35 -7.487 -15.690 -2.571 1.00 61.32 C ATOM 0 H ALA A 35 -9.093 -14.191 -1.615 1.00 44.03 H new ATOM 0 HA ALA A 35 -6.536 -13.745 -2.515 1.00 61.22 H new ATOM 0 HB1 ALA A 35 -6.652 -16.188 -3.064 1.00 61.32 H new ATOM 0 HB2 ALA A 35 -7.409 -15.832 -1.493 1.00 61.32 H new ATOM 0 HB3 ALA A 35 -8.425 -16.117 -2.926 1.00 61.32 H new ATOM 491 N SER A 36 -8.601 -13.785 -5.014 1.00 31.25 N ATOM 492 CA SER A 36 -8.750 -13.529 -6.435 1.00 51.22 C ATOM 493 C SER A 36 -8.152 -12.161 -6.754 1.00 5.41 C ATOM 494 O SER A 36 -7.254 -12.052 -7.589 1.00 34.53 O ATOM 495 CB SER A 36 -10.239 -13.609 -6.788 1.00 14.25 C ATOM 496 OG SER A 36 -10.668 -14.954 -6.649 1.00 11.14 O ATOM 0 H SER A 36 -9.490 -13.803 -4.515 1.00 31.25 H new ATOM 0 HA SER A 36 -8.220 -14.270 -7.034 1.00 51.22 H new ATOM 0 HB2 SER A 36 -10.818 -12.958 -6.133 1.00 14.25 H new ATOM 0 HB3 SER A 36 -10.405 -13.263 -7.808 1.00 14.25 H new ATOM 0 HG SER A 36 -11.620 -15.018 -6.871 1.00 11.14 H new ATOM 502 N GLN A 37 -8.624 -11.110 -6.080 1.00 63.12 N ATOM 503 CA GLN A 37 -8.128 -9.754 -6.293 1.00 70.53 C ATOM 504 C GLN A 37 -6.667 -9.656 -5.846 1.00 10.32 C ATOM 505 O GLN A 37 -5.881 -8.964 -6.486 1.00 51.25 O ATOM 506 CB GLN A 37 -9.024 -8.735 -5.585 1.00 44.20 C ATOM 507 CG GLN A 37 -10.313 -8.476 -6.382 1.00 1.31 C ATOM 508 CD GLN A 37 -11.290 -9.647 -6.359 1.00 31.44 C ATOM 509 OE1 GLN A 37 -11.934 -9.899 -5.350 1.00 15.31 O ATOM 510 NE2 GLN A 37 -11.406 -10.407 -7.434 1.00 74.25 N ATOM 0 H GLN A 37 -9.358 -11.177 -5.375 1.00 63.12 H new ATOM 0 HA GLN A 37 -8.162 -9.519 -7.357 1.00 70.53 H new ATOM 0 HB2 GLN A 37 -9.277 -9.099 -4.589 1.00 44.20 H new ATOM 0 HB3 GLN A 37 -8.481 -7.799 -5.454 1.00 44.20 H new ATOM 0 HG2 GLN A 37 -10.808 -7.592 -5.979 1.00 1.31 H new ATOM 0 HG3 GLN A 37 -10.052 -8.251 -7.416 1.00 1.31 H new ATOM 0 HE21 GLN A 37 -10.866 -10.191 -8.272 1.00 74.25 H new ATOM 0 HE22 GLN A 37 -12.036 -11.209 -7.426 1.00 74.25 H new ATOM 519 N LEU A 38 -6.279 -10.357 -4.774 1.00 53.23 N ATOM 520 CA LEU A 38 -4.901 -10.335 -4.297 1.00 41.54 C ATOM 521 C LEU A 38 -3.955 -10.926 -5.331 1.00 63.05 C ATOM 522 O LEU A 38 -2.762 -10.629 -5.289 1.00 22.35 O ATOM 523 CB LEU A 38 -4.733 -11.105 -2.977 1.00 32.13 C ATOM 524 CG LEU A 38 -4.867 -10.280 -1.693 1.00 34.11 C ATOM 525 CD1 LEU A 38 -3.969 -9.048 -1.689 1.00 24.51 C ATOM 526 CD2 LEU A 38 -6.306 -9.889 -1.403 1.00 54.13 C ATOM 0 H LEU A 38 -6.904 -10.945 -4.224 1.00 53.23 H new ATOM 0 HA LEU A 38 -4.654 -9.287 -4.125 1.00 41.54 H new ATOM 0 HB2 LEU A 38 -5.473 -11.905 -2.950 1.00 32.13 H new ATOM 0 HB3 LEU A 38 -3.752 -11.579 -2.979 1.00 32.13 H new ATOM 0 HG LEU A 38 -4.530 -10.936 -0.891 1.00 34.11 H new ATOM 0 HD11 LEU A 38 -4.105 -8.501 -0.756 1.00 24.51 H new ATOM 0 HD12 LEU A 38 -2.928 -9.357 -1.780 1.00 24.51 H new ATOM 0 HD13 LEU A 38 -4.231 -8.404 -2.528 1.00 24.51 H new ATOM 0 HD21 LEU A 38 -6.346 -9.306 -0.483 1.00 54.13 H new ATOM 0 HD22 LEU A 38 -6.694 -9.292 -2.228 1.00 54.13 H new ATOM 0 HD23 LEU A 38 -6.912 -10.788 -1.289 1.00 54.13 H new ATOM 538 N ASP A 39 -4.437 -11.792 -6.220 1.00 71.42 N ATOM 539 CA ASP A 39 -3.596 -12.394 -7.239 1.00 20.44 C ATOM 540 C ASP A 39 -3.204 -11.346 -8.270 1.00 23.44 C ATOM 541 O ASP A 39 -2.039 -11.270 -8.647 1.00 70.44 O ATOM 542 CB ASP A 39 -4.304 -13.571 -7.898 1.00 32.14 C ATOM 543 CG ASP A 39 -3.301 -14.417 -8.667 1.00 23.24 C ATOM 544 OD1 ASP A 39 -3.613 -14.832 -9.801 1.00 43.42 O ATOM 545 OD2 ASP A 39 -2.242 -14.751 -8.080 1.00 74.03 O ATOM 0 H ASP A 39 -5.412 -12.090 -6.251 1.00 71.42 H new ATOM 0 HA ASP A 39 -2.690 -12.775 -6.768 1.00 20.44 H new ATOM 0 HB2 ASP A 39 -4.799 -14.178 -7.141 1.00 32.14 H new ATOM 0 HB3 ASP A 39 -5.079 -13.208 -8.573 1.00 32.14 H new ATOM 550 N ASP A 40 -4.165 -10.523 -8.689 1.00 73.02 N ATOM 551 CA ASP A 40 -3.959 -9.441 -9.650 1.00 11.43 C ATOM 552 C ASP A 40 -3.027 -8.414 -9.003 1.00 2.13 C ATOM 553 O ASP A 40 -2.057 -7.947 -9.603 1.00 15.22 O ATOM 554 CB ASP A 40 -5.298 -8.781 -10.012 1.00 32.54 C ATOM 555 CG ASP A 40 -6.088 -9.556 -11.064 1.00 42.53 C ATOM 556 OD1 ASP A 40 -7.280 -9.869 -10.823 1.00 11.32 O ATOM 557 OD2 ASP A 40 -5.551 -9.773 -12.175 1.00 41.31 O ATOM 0 H ASP A 40 -5.129 -10.592 -8.362 1.00 73.02 H new ATOM 0 HA ASP A 40 -3.520 -9.833 -10.568 1.00 11.43 H new ATOM 0 HB2 ASP A 40 -5.903 -8.685 -9.111 1.00 32.54 H new ATOM 0 HB3 ASP A 40 -5.110 -7.772 -10.379 1.00 32.54 H new ATOM 562 N LEU A 41 -3.312 -8.074 -7.741 1.00 13.33 N ATOM 563 CA LEU A 41 -2.541 -7.133 -6.936 1.00 70.05 C ATOM 564 C LEU A 41 -1.079 -7.579 -6.815 1.00 32.30 C ATOM 565 O LEU A 41 -0.213 -6.720 -6.646 1.00 64.11 O ATOM 566 CB LEU A 41 -3.188 -6.933 -5.553 1.00 43.12 C ATOM 567 CG LEU A 41 -4.094 -5.696 -5.398 1.00 30.30 C ATOM 568 CD1 LEU A 41 -3.283 -4.402 -5.455 1.00 30.10 C ATOM 569 CD2 LEU A 41 -5.242 -5.606 -6.409 1.00 31.42 C ATOM 0 H LEU A 41 -4.112 -8.461 -7.240 1.00 13.33 H new ATOM 0 HA LEU A 41 -2.547 -6.169 -7.445 1.00 70.05 H new ATOM 0 HB2 LEU A 41 -3.776 -7.820 -5.319 1.00 43.12 H new ATOM 0 HB3 LEU A 41 -2.394 -6.871 -4.809 1.00 43.12 H new ATOM 0 HG LEU A 41 -4.549 -5.823 -4.416 1.00 30.30 H new ATOM 0 HD11 LEU A 41 -3.951 -3.548 -5.343 1.00 30.10 H new ATOM 0 HD12 LEU A 41 -2.549 -4.397 -4.649 1.00 30.10 H new ATOM 0 HD13 LEU A 41 -2.769 -4.337 -6.414 1.00 30.10 H new ATOM 0 HD21 LEU A 41 -5.823 -4.703 -6.220 1.00 31.42 H new ATOM 0 HD22 LEU A 41 -4.835 -5.571 -7.420 1.00 31.42 H new ATOM 0 HD23 LEU A 41 -5.886 -6.480 -6.307 1.00 31.42 H new ATOM 581 N SER A 42 -0.808 -8.888 -6.852 1.00 31.15 N ATOM 582 CA SER A 42 0.521 -9.479 -6.767 1.00 4.04 C ATOM 583 C SER A 42 1.377 -8.995 -7.944 1.00 4.25 C ATOM 584 O SER A 42 2.497 -8.526 -7.737 1.00 34.25 O ATOM 585 CB SER A 42 0.383 -11.011 -6.759 1.00 63.43 C ATOM 586 OG SER A 42 1.375 -11.666 -5.992 1.00 2.15 O ATOM 0 H SER A 42 -1.543 -9.589 -6.946 1.00 31.15 H new ATOM 0 HA SER A 42 1.018 -9.171 -5.847 1.00 4.04 H new ATOM 0 HB2 SER A 42 -0.600 -11.277 -6.369 1.00 63.43 H new ATOM 0 HB3 SER A 42 0.429 -11.377 -7.785 1.00 63.43 H new ATOM 0 HG SER A 42 1.229 -12.634 -6.027 1.00 2.15 H new ATOM 592 N THR A 43 0.863 -9.049 -9.176 1.00 42.02 N ATOM 593 CA THR A 43 1.612 -8.609 -10.351 1.00 44.23 C ATOM 594 C THR A 43 1.897 -7.102 -10.250 1.00 75.42 C ATOM 595 O THR A 43 2.974 -6.634 -10.629 1.00 63.03 O ATOM 596 CB THR A 43 0.838 -8.960 -11.635 1.00 4.42 C ATOM 597 OG1 THR A 43 0.074 -10.139 -11.480 1.00 44.30 O ATOM 598 CG2 THR A 43 1.792 -9.159 -12.817 1.00 3.31 C ATOM 0 H THR A 43 -0.074 -9.395 -9.383 1.00 42.02 H new ATOM 0 HA THR A 43 2.569 -9.129 -10.392 1.00 44.23 H new ATOM 0 HB THR A 43 0.171 -8.121 -11.831 1.00 4.42 H new ATOM 0 HG1 THR A 43 -0.405 -10.330 -12.313 1.00 44.30 H new ATOM 0 HG21 THR A 43 1.218 -9.406 -13.710 1.00 3.31 H new ATOM 0 HG22 THR A 43 2.354 -8.241 -12.989 1.00 3.31 H new ATOM 0 HG23 THR A 43 2.483 -9.972 -12.594 1.00 3.31 H new ATOM 606 N ILE A 44 0.942 -6.341 -9.704 1.00 0.53 N ATOM 607 CA ILE A 44 1.077 -4.901 -9.517 1.00 63.21 C ATOM 608 C ILE A 44 2.204 -4.661 -8.501 1.00 4.01 C ATOM 609 O ILE A 44 3.094 -3.844 -8.741 1.00 22.05 O ATOM 610 CB ILE A 44 -0.274 -4.288 -9.078 1.00 63.24 C ATOM 611 CG1 ILE A 44 -1.354 -4.505 -10.166 1.00 10.13 C ATOM 612 CG2 ILE A 44 -0.085 -2.797 -8.762 1.00 25.01 C ATOM 613 CD1 ILE A 44 -2.766 -4.035 -9.798 1.00 20.14 C ATOM 0 H ILE A 44 0.050 -6.714 -9.379 1.00 0.53 H new ATOM 0 HA ILE A 44 1.342 -4.404 -10.450 1.00 63.21 H new ATOM 0 HB ILE A 44 -0.620 -4.791 -8.175 1.00 63.24 H new ATOM 0 HG12 ILE A 44 -1.042 -3.985 -11.072 1.00 10.13 H new ATOM 0 HG13 ILE A 44 -1.395 -5.567 -10.406 1.00 10.13 H new ATOM 0 HG21 ILE A 44 -1.038 -2.367 -8.453 1.00 25.01 H new ATOM 0 HG22 ILE A 44 0.642 -2.685 -7.957 1.00 25.01 H new ATOM 0 HG23 ILE A 44 0.275 -2.279 -9.651 1.00 25.01 H new ATOM 0 HD11 ILE A 44 -3.444 -4.233 -10.628 1.00 20.14 H new ATOM 0 HD12 ILE A 44 -3.109 -4.572 -8.914 1.00 20.14 H new ATOM 0 HD13 ILE A 44 -2.751 -2.965 -9.590 1.00 20.14 H new ATOM 625 N ALA A 45 2.172 -5.375 -7.371 1.00 33.32 N ATOM 626 CA ALA A 45 3.156 -5.289 -6.302 1.00 14.43 C ATOM 627 C ALA A 45 4.549 -5.541 -6.882 1.00 63.15 C ATOM 628 O ALA A 45 5.479 -4.773 -6.633 1.00 24.14 O ATOM 629 CB ALA A 45 2.788 -6.291 -5.202 1.00 74.52 C ATOM 0 H ALA A 45 1.433 -6.050 -7.175 1.00 33.32 H new ATOM 0 HA ALA A 45 3.162 -4.295 -5.854 1.00 14.43 H new ATOM 0 HB1 ALA A 45 3.521 -6.233 -4.397 1.00 74.52 H new ATOM 0 HB2 ALA A 45 1.799 -6.054 -4.810 1.00 74.52 H new ATOM 0 HB3 ALA A 45 2.783 -7.300 -5.615 1.00 74.52 H new ATOM 635 N GLN A 46 4.678 -6.587 -7.701 1.00 42.41 N ATOM 636 CA GLN A 46 5.912 -6.970 -8.364 1.00 1.42 C ATOM 637 C GLN A 46 6.445 -5.811 -9.212 1.00 21.22 C ATOM 638 O GLN A 46 7.647 -5.542 -9.174 1.00 53.32 O ATOM 639 CB GLN A 46 5.630 -8.209 -9.221 1.00 45.55 C ATOM 640 CG GLN A 46 5.675 -9.481 -8.378 1.00 64.31 C ATOM 641 CD GLN A 46 7.097 -10.018 -8.386 1.00 65.13 C ATOM 642 OE1 GLN A 46 7.521 -10.619 -9.372 1.00 3.02 O ATOM 643 NE2 GLN A 46 7.888 -9.711 -7.369 1.00 43.02 N ATOM 0 H GLN A 46 3.898 -7.206 -7.924 1.00 42.41 H new ATOM 0 HA GLN A 46 6.681 -7.208 -7.629 1.00 1.42 H new ATOM 0 HB2 GLN A 46 4.651 -8.115 -9.691 1.00 45.55 H new ATOM 0 HB3 GLN A 46 6.364 -8.275 -10.024 1.00 45.55 H new ATOM 0 HG2 GLN A 46 5.356 -9.270 -7.357 1.00 64.31 H new ATOM 0 HG3 GLN A 46 4.987 -10.225 -8.779 1.00 64.31 H new ATOM 0 HE21 GLN A 46 7.512 -9.212 -6.563 1.00 43.02 H new ATOM 0 HE22 GLN A 46 8.873 -9.973 -7.392 1.00 43.02 H new ATOM 652 N SER A 47 5.563 -5.131 -9.950 1.00 13.24 N ATOM 653 CA SER A 47 5.875 -3.992 -10.806 1.00 20.23 C ATOM 654 C SER A 47 6.515 -2.864 -9.975 1.00 42.44 C ATOM 655 O SER A 47 7.458 -2.196 -10.418 1.00 44.04 O ATOM 656 CB SER A 47 4.565 -3.543 -11.479 1.00 63.21 C ATOM 657 OG SER A 47 4.746 -3.177 -12.834 1.00 5.33 O ATOM 0 H SER A 47 4.572 -5.372 -9.965 1.00 13.24 H new ATOM 0 HA SER A 47 6.599 -4.263 -11.575 1.00 20.23 H new ATOM 0 HB2 SER A 47 3.835 -4.350 -11.419 1.00 63.21 H new ATOM 0 HB3 SER A 47 4.151 -2.697 -10.930 1.00 63.21 H new ATOM 0 HG SER A 47 3.887 -2.902 -13.216 1.00 5.33 H new ATOM 663 N LEU A 48 6.021 -2.635 -8.752 1.00 4.53 N ATOM 664 CA LEU A 48 6.563 -1.602 -7.873 1.00 24.13 C ATOM 665 C LEU A 48 7.987 -1.994 -7.477 1.00 73.50 C ATOM 666 O LEU A 48 8.882 -1.155 -7.555 1.00 13.32 O ATOM 667 CB LEU A 48 5.685 -1.378 -6.631 1.00 0.44 C ATOM 668 CG LEU A 48 4.248 -0.920 -6.944 1.00 33.03 C ATOM 669 CD1 LEU A 48 3.420 -0.940 -5.658 1.00 32.24 C ATOM 670 CD2 LEU A 48 4.190 0.486 -7.555 1.00 55.44 C ATOM 0 H LEU A 48 5.242 -3.157 -8.351 1.00 4.53 H new ATOM 0 HA LEU A 48 6.576 -0.655 -8.412 1.00 24.13 H new ATOM 0 HB2 LEU A 48 5.642 -2.305 -6.059 1.00 0.44 H new ATOM 0 HB3 LEU A 48 6.161 -0.632 -5.994 1.00 0.44 H new ATOM 0 HG LEU A 48 3.844 -1.613 -7.682 1.00 33.03 H new ATOM 0 HD11 LEU A 48 2.402 -0.616 -5.876 1.00 32.24 H new ATOM 0 HD12 LEU A 48 3.400 -1.952 -5.254 1.00 32.24 H new ATOM 0 HD13 LEU A 48 3.867 -0.266 -4.927 1.00 32.24 H new ATOM 0 HD21 LEU A 48 3.152 0.754 -7.754 1.00 55.44 H new ATOM 0 HD22 LEU A 48 4.623 1.204 -6.858 1.00 55.44 H new ATOM 0 HD23 LEU A 48 4.754 0.501 -8.488 1.00 55.44 H new ATOM 682 N VAL A 49 8.220 -3.254 -7.089 1.00 61.45 N ATOM 683 CA VAL A 49 9.548 -3.741 -6.707 1.00 43.24 C ATOM 684 C VAL A 49 10.513 -3.542 -7.887 1.00 41.32 C ATOM 685 O VAL A 49 11.631 -3.065 -7.676 1.00 5.14 O ATOM 686 CB VAL A 49 9.470 -5.203 -6.214 1.00 73.33 C ATOM 687 CG1 VAL A 49 10.850 -5.803 -5.909 1.00 33.34 C ATOM 688 CG2 VAL A 49 8.614 -5.312 -4.946 1.00 43.44 C ATOM 0 H VAL A 49 7.490 -3.965 -7.032 1.00 61.45 H new ATOM 0 HA VAL A 49 9.938 -3.167 -5.867 1.00 43.24 H new ATOM 0 HB VAL A 49 9.017 -5.764 -7.032 1.00 73.33 H new ATOM 0 HG11 VAL A 49 10.732 -6.831 -5.567 1.00 33.34 H new ATOM 0 HG12 VAL A 49 11.461 -5.789 -6.812 1.00 33.34 H new ATOM 0 HG13 VAL A 49 11.338 -5.216 -5.131 1.00 33.34 H new ATOM 0 HG21 VAL A 49 8.576 -6.352 -4.621 1.00 43.44 H new ATOM 0 HG22 VAL A 49 9.053 -4.701 -4.157 1.00 43.44 H new ATOM 0 HG23 VAL A 49 7.604 -4.961 -5.158 1.00 43.44 H new ATOM 698 N GLN A 50 10.084 -3.850 -9.121 1.00 42.51 N ATOM 699 CA GLN A 50 10.895 -3.685 -10.331 1.00 63.31 C ATOM 700 C GLN A 50 11.286 -2.209 -10.500 1.00 75.31 C ATOM 701 O GLN A 50 12.411 -1.888 -10.892 1.00 44.35 O ATOM 702 CB GLN A 50 10.148 -4.207 -11.569 1.00 62.32 C ATOM 703 CG GLN A 50 10.074 -5.738 -11.572 1.00 43.11 C ATOM 704 CD GLN A 50 9.152 -6.272 -12.662 1.00 33.41 C ATOM 705 OE1 GLN A 50 7.939 -6.367 -12.470 1.00 75.44 O ATOM 706 NE2 GLN A 50 9.701 -6.623 -13.812 1.00 44.03 N ATOM 0 H GLN A 50 9.153 -4.225 -9.305 1.00 42.51 H new ATOM 0 HA GLN A 50 11.805 -4.275 -10.227 1.00 63.31 H new ATOM 0 HB2 GLN A 50 9.140 -3.792 -11.590 1.00 62.32 H new ATOM 0 HB3 GLN A 50 10.653 -3.864 -12.472 1.00 62.32 H new ATOM 0 HG2 GLN A 50 11.074 -6.147 -11.713 1.00 43.11 H new ATOM 0 HG3 GLN A 50 9.722 -6.084 -10.600 1.00 43.11 H new ATOM 0 HE21 GLN A 50 10.708 -6.534 -13.944 1.00 44.03 H new ATOM 0 HE22 GLN A 50 9.117 -6.983 -14.567 1.00 44.03 H new ATOM 715 N SER A 51 10.386 -1.295 -10.141 1.00 62.54 N ATOM 716 CA SER A 51 10.640 0.130 -10.241 1.00 74.20 C ATOM 717 C SER A 51 11.662 0.580 -9.181 1.00 5.41 C ATOM 718 O SER A 51 12.530 1.405 -9.476 1.00 52.53 O ATOM 719 CB SER A 51 9.308 0.885 -10.143 1.00 22.24 C ATOM 720 OG SER A 51 8.332 0.360 -11.039 1.00 10.42 O ATOM 0 H SER A 51 9.463 -1.527 -9.774 1.00 62.54 H new ATOM 0 HA SER A 51 11.087 0.363 -11.208 1.00 74.20 H new ATOM 0 HB2 SER A 51 8.932 0.826 -9.122 1.00 22.24 H new ATOM 0 HB3 SER A 51 9.472 1.940 -10.362 1.00 22.24 H new ATOM 0 HG SER A 51 8.042 -0.523 -10.727 1.00 10.42 H new ATOM 726 N ILE A 52 11.617 0.030 -7.960 1.00 35.11 N ATOM 727 CA ILE A 52 12.553 0.393 -6.891 1.00 74.11 C ATOM 728 C ILE A 52 13.957 -0.102 -7.248 1.00 12.24 C ATOM 729 O ILE A 52 14.914 0.665 -7.145 1.00 5.50 O ATOM 730 CB ILE A 52 12.103 -0.153 -5.511 1.00 44.43 C ATOM 731 CG1 ILE A 52 10.722 0.402 -5.115 1.00 33.31 C ATOM 732 CG2 ILE A 52 13.111 0.258 -4.418 1.00 45.31 C ATOM 733 CD1 ILE A 52 10.110 -0.291 -3.890 1.00 52.00 C ATOM 0 H ILE A 52 10.933 -0.676 -7.688 1.00 35.11 H new ATOM 0 HA ILE A 52 12.566 1.480 -6.806 1.00 74.11 H new ATOM 0 HB ILE A 52 12.051 -1.239 -5.595 1.00 44.43 H new ATOM 0 HG12 ILE A 52 10.813 1.469 -4.911 1.00 33.31 H new ATOM 0 HG13 ILE A 52 10.041 0.296 -5.960 1.00 33.31 H new ATOM 0 HG21 ILE A 52 12.782 -0.132 -3.455 1.00 45.31 H new ATOM 0 HG22 ILE A 52 14.094 -0.148 -4.658 1.00 45.31 H new ATOM 0 HG23 ILE A 52 13.170 1.345 -4.368 1.00 45.31 H new ATOM 0 HD11 ILE A 52 9.139 0.151 -3.669 1.00 52.00 H new ATOM 0 HD12 ILE A 52 9.986 -1.354 -4.097 1.00 52.00 H new ATOM 0 HD13 ILE A 52 10.770 -0.163 -3.032 1.00 52.00 H new ATOM 745 N GLN A 53 14.105 -1.363 -7.665 1.00 62.53 N ATOM 746 CA GLN A 53 15.423 -1.908 -8.011 1.00 35.14 C ATOM 747 C GLN A 53 16.047 -1.135 -9.174 1.00 20.04 C ATOM 748 O GLN A 53 17.268 -0.984 -9.232 1.00 21.32 O ATOM 749 CB GLN A 53 15.344 -3.410 -8.294 1.00 72.33 C ATOM 750 CG GLN A 53 14.493 -3.732 -9.516 1.00 51.24 C ATOM 751 CD GLN A 53 14.407 -5.212 -9.821 1.00 71.43 C ATOM 752 OE1 GLN A 53 14.995 -5.669 -10.798 1.00 14.55 O ATOM 753 NE2 GLN A 53 13.659 -5.968 -9.036 1.00 21.20 N ATOM 0 H GLN A 53 13.334 -2.023 -7.771 1.00 62.53 H new ATOM 0 HA GLN A 53 16.080 -1.781 -7.151 1.00 35.14 H new ATOM 0 HB2 GLN A 53 16.350 -3.801 -8.443 1.00 72.33 H new ATOM 0 HB3 GLN A 53 14.930 -3.919 -7.423 1.00 72.33 H new ATOM 0 HG2 GLN A 53 13.487 -3.342 -9.361 1.00 51.24 H new ATOM 0 HG3 GLN A 53 14.905 -3.214 -10.382 1.00 51.24 H new ATOM 0 HE21 GLN A 53 13.184 -5.556 -8.233 1.00 21.20 H new ATOM 0 HE22 GLN A 53 13.556 -6.963 -9.234 1.00 21.20 H new ATOM 762 N SER A 54 15.213 -0.612 -10.075 1.00 3.22 N ATOM 763 CA SER A 54 15.681 0.170 -11.212 1.00 72.31 C ATOM 764 C SER A 54 16.376 1.446 -10.711 1.00 65.05 C ATOM 765 O SER A 54 17.338 1.908 -11.324 1.00 2.22 O ATOM 766 CB SER A 54 14.515 0.501 -12.146 1.00 25.15 C ATOM 767 OG SER A 54 13.957 -0.671 -12.711 1.00 12.31 O ATOM 0 H SER A 54 14.200 -0.720 -10.034 1.00 3.22 H new ATOM 0 HA SER A 54 16.404 -0.415 -11.780 1.00 72.31 H new ATOM 0 HB2 SER A 54 13.747 1.042 -11.594 1.00 25.15 H new ATOM 0 HB3 SER A 54 14.860 1.161 -12.941 1.00 25.15 H new ATOM 0 HG SER A 54 13.262 -1.022 -12.116 1.00 12.31 H new ATOM 773 N LEU A 55 15.895 2.030 -9.606 1.00 44.43 N ATOM 774 CA LEU A 55 16.479 3.225 -9.003 1.00 71.25 C ATOM 775 C LEU A 55 17.741 2.824 -8.249 1.00 12.22 C ATOM 776 O LEU A 55 18.761 3.507 -8.353 1.00 73.13 O ATOM 777 CB LEU A 55 15.483 3.901 -8.051 1.00 14.53 C ATOM 778 CG LEU A 55 14.338 4.610 -8.787 1.00 42.40 C ATOM 779 CD1 LEU A 55 13.311 5.144 -7.782 1.00 74.05 C ATOM 780 CD2 LEU A 55 14.874 5.754 -9.661 1.00 61.11 C ATOM 0 H LEU A 55 15.080 1.679 -9.103 1.00 44.43 H new ATOM 0 HA LEU A 55 16.725 3.941 -9.787 1.00 71.25 H new ATOM 0 HB2 LEU A 55 15.066 3.152 -7.378 1.00 14.53 H new ATOM 0 HB3 LEU A 55 16.014 4.625 -7.433 1.00 14.53 H new ATOM 0 HG LEU A 55 13.850 3.885 -9.438 1.00 42.40 H new ATOM 0 HD11 LEU A 55 12.504 5.645 -8.317 1.00 74.05 H new ATOM 0 HD12 LEU A 55 12.903 4.315 -7.204 1.00 74.05 H new ATOM 0 HD13 LEU A 55 13.794 5.853 -7.109 1.00 74.05 H new ATOM 0 HD21 LEU A 55 14.044 6.241 -10.172 1.00 61.11 H new ATOM 0 HD22 LEU A 55 15.390 6.481 -9.033 1.00 61.11 H new ATOM 0 HD23 LEU A 55 15.569 5.353 -10.399 1.00 61.11 H new ATOM 792 N ALA A 56 17.693 1.702 -7.523 1.00 70.30 N ATOM 793 CA ALA A 56 18.827 1.188 -6.767 1.00 71.44 C ATOM 794 C ALA A 56 20.021 0.978 -7.705 1.00 42.05 C ATOM 795 O ALA A 56 21.149 1.330 -7.354 1.00 22.45 O ATOM 796 CB ALA A 56 18.436 -0.105 -6.049 1.00 73.43 C ATOM 0 H ALA A 56 16.856 1.124 -7.447 1.00 70.30 H new ATOM 0 HA ALA A 56 19.120 1.912 -6.006 1.00 71.44 H new ATOM 0 HB1 ALA A 56 19.290 -0.482 -5.487 1.00 73.43 H new ATOM 0 HB2 ALA A 56 17.611 0.094 -5.365 1.00 73.43 H new ATOM 0 HB3 ALA A 56 18.128 -0.850 -6.783 1.00 73.43 H new ATOM 802 N ALA A 57 19.777 0.480 -8.924 1.00 52.12 N ATOM 803 CA ALA A 57 20.809 0.251 -9.928 1.00 2.03 C ATOM 804 C ALA A 57 21.513 1.559 -10.320 1.00 32.32 C ATOM 805 O ALA A 57 22.673 1.517 -10.727 1.00 12.32 O ATOM 806 CB ALA A 57 20.195 -0.406 -11.166 1.00 52.24 C ATOM 0 H ALA A 57 18.842 0.223 -9.239 1.00 52.12 H new ATOM 0 HA ALA A 57 21.557 -0.414 -9.496 1.00 2.03 H new ATOM 0 HB1 ALA A 57 20.972 -0.574 -11.912 1.00 52.24 H new ATOM 0 HB2 ALA A 57 19.747 -1.360 -10.887 1.00 52.24 H new ATOM 0 HB3 ALA A 57 19.428 0.247 -11.582 1.00 52.24 H new ATOM 812 N GLN A 58 20.842 2.707 -10.194 1.00 52.24 N ATOM 813 CA GLN A 58 21.373 4.031 -10.508 1.00 72.02 C ATOM 814 C GLN A 58 21.927 4.731 -9.257 1.00 74.52 C ATOM 815 O GLN A 58 22.395 5.872 -9.340 1.00 54.44 O ATOM 816 CB GLN A 58 20.297 4.857 -11.233 1.00 53.33 C ATOM 817 CG GLN A 58 19.878 4.278 -12.593 1.00 22.05 C ATOM 818 CD GLN A 58 21.027 4.255 -13.605 1.00 21.12 C ATOM 819 OE1 GLN A 58 21.955 3.457 -13.505 1.00 0.44 O ATOM 820 NE2 GLN A 58 21.022 5.121 -14.604 1.00 22.52 N ATOM 0 H GLN A 58 19.879 2.738 -9.858 1.00 52.24 H new ATOM 0 HA GLN A 58 22.223 3.927 -11.182 1.00 72.02 H new ATOM 0 HB2 GLN A 58 19.417 4.930 -10.594 1.00 53.33 H new ATOM 0 HB3 GLN A 58 20.669 5.871 -11.380 1.00 53.33 H new ATOM 0 HG2 GLN A 58 19.503 3.264 -12.452 1.00 22.05 H new ATOM 0 HG3 GLN A 58 19.055 4.868 -12.997 1.00 22.05 H new ATOM 0 HE21 GLN A 58 20.256 5.788 -14.697 1.00 22.52 H new ATOM 0 HE22 GLN A 58 21.784 5.122 -15.282 1.00 22.52 H new ATOM 829 N GLY A 59 21.808 4.103 -8.083 1.00 53.05 N ATOM 830 CA GLY A 59 22.326 4.623 -6.832 1.00 62.44 C ATOM 831 C GLY A 59 21.574 5.832 -6.294 1.00 1.44 C ATOM 832 O GLY A 59 22.142 6.542 -5.461 1.00 32.02 O ATOM 0 H GLY A 59 21.339 3.203 -7.983 1.00 53.05 H new ATOM 0 HA2 GLY A 59 22.298 3.831 -6.084 1.00 62.44 H new ATOM 0 HA3 GLY A 59 23.373 4.894 -6.971 1.00 62.44 H new ATOM 836 N ARG A 60 20.367 6.141 -6.784 1.00 0.22 N ATOM 837 CA ARG A 60 19.601 7.298 -6.327 1.00 11.20 C ATOM 838 C ARG A 60 18.141 7.143 -6.722 1.00 0.34 C ATOM 839 O ARG A 60 17.819 6.379 -7.629 1.00 13.05 O ATOM 840 CB ARG A 60 20.149 8.552 -7.040 1.00 31.31 C ATOM 841 CG ARG A 60 19.869 9.865 -6.293 1.00 74.52 C ATOM 842 CD ARG A 60 20.399 11.073 -7.068 1.00 44.24 C ATOM 843 NE ARG A 60 21.864 11.170 -7.004 1.00 61.25 N ATOM 844 CZ ARG A 60 22.602 12.144 -7.545 1.00 12.01 C ATOM 845 NH1 ARG A 60 22.030 13.124 -8.240 1.00 14.44 N ATOM 846 NH2 ARG A 60 23.914 12.119 -7.371 1.00 40.23 N ATOM 0 H ARG A 60 19.898 5.595 -7.507 1.00 0.22 H new ATOM 0 HA ARG A 60 19.686 7.383 -5.244 1.00 11.20 H new ATOM 0 HB2 ARG A 60 21.226 8.442 -7.171 1.00 31.31 H new ATOM 0 HB3 ARG A 60 19.711 8.612 -8.036 1.00 31.31 H new ATOM 0 HG2 ARG A 60 18.796 9.974 -6.136 1.00 74.52 H new ATOM 0 HG3 ARG A 60 20.334 9.831 -5.308 1.00 74.52 H new ATOM 0 HD2 ARG A 60 20.086 11.001 -8.110 1.00 44.24 H new ATOM 0 HD3 ARG A 60 19.958 11.984 -6.665 1.00 44.24 H new ATOM 0 HE ARG A 60 22.359 10.431 -6.504 1.00 61.25 H new ATOM 0 HH11 ARG A 60 21.018 13.137 -8.365 1.00 14.44 H new ATOM 0 HH12 ARG A 60 22.604 13.862 -8.648 1.00 14.44 H new ATOM 0 HH21 ARG A 60 24.343 11.366 -6.833 1.00 40.23 H new ATOM 0 HH22 ARG A 60 24.496 12.853 -7.775 1.00 40.23 H new ATOM 860 N THR A 61 17.267 7.908 -6.083 1.00 33.04 N ATOM 861 CA THR A 61 15.841 7.935 -6.345 1.00 33.55 C ATOM 862 C THR A 61 15.484 9.369 -6.774 1.00 43.32 C ATOM 863 O THR A 61 16.367 10.207 -6.983 1.00 5.41 O ATOM 864 CB THR A 61 15.069 7.479 -5.091 1.00 14.02 C ATOM 865 OG1 THR A 61 15.365 8.321 -4.001 1.00 22.23 O ATOM 866 CG2 THR A 61 15.326 6.040 -4.646 1.00 24.10 C ATOM 0 H THR A 61 17.546 8.550 -5.341 1.00 33.04 H new ATOM 0 HA THR A 61 15.562 7.247 -7.143 1.00 33.55 H new ATOM 0 HB THR A 61 14.022 7.536 -5.390 1.00 14.02 H new ATOM 0 HG1 THR A 61 14.867 8.022 -3.212 1.00 22.23 H new ATOM 0 HG21 THR A 61 14.734 5.823 -3.757 1.00 24.10 H new ATOM 0 HG22 THR A 61 15.043 5.356 -5.446 1.00 24.10 H new ATOM 0 HG23 THR A 61 16.384 5.913 -4.418 1.00 24.10 H new ATOM 874 N SER A 62 14.223 9.614 -7.114 1.00 73.12 N ATOM 875 CA SER A 62 13.686 10.918 -7.480 1.00 42.34 C ATOM 876 C SER A 62 12.479 11.093 -6.547 1.00 42.11 C ATOM 877 O SER A 62 11.776 10.098 -6.329 1.00 1.30 O ATOM 878 CB SER A 62 13.424 10.977 -8.987 1.00 12.43 C ATOM 879 OG SER A 62 12.335 11.807 -9.328 1.00 40.02 O ATOM 0 H SER A 62 13.518 8.877 -7.143 1.00 73.12 H new ATOM 0 HA SER A 62 14.357 11.765 -7.337 1.00 42.34 H new ATOM 0 HB2 SER A 62 14.320 11.338 -9.492 1.00 12.43 H new ATOM 0 HB3 SER A 62 13.234 9.969 -9.356 1.00 12.43 H new ATOM 0 HG SER A 62 12.216 11.807 -10.301 1.00 40.02 H new ATOM 885 N PRO A 63 12.205 12.276 -5.972 1.00 51.21 N ATOM 886 CA PRO A 63 11.076 12.463 -5.068 1.00 12.21 C ATOM 887 C PRO A 63 9.769 12.203 -5.807 1.00 30.30 C ATOM 888 O PRO A 63 9.001 11.341 -5.391 1.00 5.20 O ATOM 889 CB PRO A 63 11.198 13.885 -4.515 1.00 74.30 C ATOM 890 CG PRO A 63 11.965 14.603 -5.619 1.00 54.11 C ATOM 891 CD PRO A 63 12.923 13.526 -6.135 1.00 74.21 C ATOM 0 HA PRO A 63 11.080 11.758 -4.236 1.00 12.21 H new ATOM 0 HB2 PRO A 63 10.222 14.337 -4.339 1.00 74.30 H new ATOM 0 HB3 PRO A 63 11.735 13.907 -3.567 1.00 74.30 H new ATOM 0 HG2 PRO A 63 11.300 14.960 -6.405 1.00 54.11 H new ATOM 0 HG3 PRO A 63 12.503 15.471 -5.237 1.00 54.11 H new ATOM 0 HD2 PRO A 63 13.185 13.698 -7.179 1.00 74.21 H new ATOM 0 HD3 PRO A 63 13.855 13.523 -5.569 1.00 74.21 H new ATOM 899 N ASN A 64 9.530 12.882 -6.935 1.00 0.33 N ATOM 900 CA ASN A 64 8.308 12.682 -7.705 1.00 14.04 C ATOM 901 C ASN A 64 8.191 11.231 -8.177 1.00 12.34 C ATOM 902 O ASN A 64 7.102 10.671 -8.108 1.00 50.13 O ATOM 903 CB ASN A 64 8.157 13.659 -8.881 1.00 21.32 C ATOM 904 CG ASN A 64 9.355 13.641 -9.813 1.00 30.42 C ATOM 905 OD1 ASN A 64 9.419 12.849 -10.749 1.00 13.23 O ATOM 906 ND2 ASN A 64 10.338 14.483 -9.551 1.00 41.43 N ATOM 0 H ASN A 64 10.169 13.572 -7.330 1.00 0.33 H new ATOM 0 HA ASN A 64 7.483 12.900 -7.026 1.00 14.04 H new ATOM 0 HB2 ASN A 64 7.259 13.407 -9.445 1.00 21.32 H new ATOM 0 HB3 ASN A 64 8.018 14.668 -8.494 1.00 21.32 H new ATOM 0 HD21 ASN A 64 11.176 14.486 -10.133 1.00 41.43 H new ATOM 0 HD22 ASN A 64 10.259 15.131 -8.767 1.00 41.43 H new ATOM 913 N LYS A 65 9.291 10.600 -8.611 1.00 52.02 N ATOM 914 CA LYS A 65 9.278 9.209 -9.064 1.00 63.11 C ATOM 915 C LYS A 65 8.837 8.301 -7.917 1.00 14.40 C ATOM 916 O LYS A 65 7.957 7.467 -8.100 1.00 44.01 O ATOM 917 CB LYS A 65 10.691 8.837 -9.544 1.00 65.41 C ATOM 918 CG LYS A 65 10.934 7.346 -9.830 1.00 5.02 C ATOM 919 CD LYS A 65 10.244 6.798 -11.088 1.00 65.53 C ATOM 920 CE LYS A 65 10.823 7.367 -12.395 1.00 24.44 C ATOM 921 NZ LYS A 65 12.214 6.942 -12.670 1.00 61.10 N ATOM 0 H LYS A 65 10.210 11.041 -8.656 1.00 52.02 H new ATOM 0 HA LYS A 65 8.575 9.083 -9.887 1.00 63.11 H new ATOM 0 HB2 LYS A 65 10.905 9.401 -10.452 1.00 65.41 H new ATOM 0 HB3 LYS A 65 11.407 9.164 -8.790 1.00 65.41 H new ATOM 0 HG2 LYS A 65 12.007 7.181 -9.923 1.00 5.02 H new ATOM 0 HG3 LYS A 65 10.596 6.768 -8.970 1.00 5.02 H new ATOM 0 HD2 LYS A 65 10.335 5.712 -11.100 1.00 65.53 H new ATOM 0 HD3 LYS A 65 9.180 7.028 -11.040 1.00 65.53 H new ATOM 0 HE2 LYS A 65 10.188 7.059 -13.226 1.00 24.44 H new ATOM 0 HE3 LYS A 65 10.788 8.456 -12.353 1.00 24.44 H new ATOM 0 HZ1 LYS A 65 12.524 7.336 -13.581 1.00 61.10 H new ATOM 0 HZ2 LYS A 65 12.838 7.287 -11.913 1.00 61.10 H new ATOM 0 HZ3 LYS A 65 12.258 5.904 -12.709 1.00 61.10 H new ATOM 935 N LEU A 66 9.466 8.440 -6.750 1.00 43.10 N ATOM 936 CA LEU A 66 9.173 7.645 -5.567 1.00 54.03 C ATOM 937 C LEU A 66 7.720 7.875 -5.145 1.00 63.12 C ATOM 938 O LEU A 66 6.991 6.910 -4.931 1.00 62.21 O ATOM 939 CB LEU A 66 10.215 7.980 -4.490 1.00 34.23 C ATOM 940 CG LEU A 66 10.107 7.125 -3.216 1.00 22.54 C ATOM 941 CD1 LEU A 66 10.498 5.673 -3.508 1.00 61.34 C ATOM 942 CD2 LEU A 66 11.054 7.681 -2.147 1.00 54.14 C ATOM 0 H LEU A 66 10.208 9.124 -6.602 1.00 43.10 H new ATOM 0 HA LEU A 66 9.254 6.575 -5.759 1.00 54.03 H new ATOM 0 HB2 LEU A 66 11.211 7.855 -4.914 1.00 34.23 H new ATOM 0 HB3 LEU A 66 10.114 9.031 -4.218 1.00 34.23 H new ATOM 0 HG LEU A 66 9.076 7.157 -2.865 1.00 22.54 H new ATOM 0 HD11 LEU A 66 10.416 5.083 -2.595 1.00 61.34 H new ATOM 0 HD12 LEU A 66 9.832 5.262 -4.267 1.00 61.34 H new ATOM 0 HD13 LEU A 66 11.525 5.639 -3.870 1.00 61.34 H new ATOM 0 HD21 LEU A 66 10.978 7.076 -1.244 1.00 54.14 H new ATOM 0 HD22 LEU A 66 12.078 7.652 -2.518 1.00 54.14 H new ATOM 0 HD23 LEU A 66 10.780 8.711 -1.918 1.00 54.14 H new ATOM 954 N GLN A 67 7.271 9.132 -5.096 1.00 32.15 N ATOM 955 CA GLN A 67 5.902 9.470 -4.733 1.00 42.43 C ATOM 956 C GLN A 67 4.932 8.822 -5.723 1.00 61.23 C ATOM 957 O GLN A 67 3.883 8.325 -5.315 1.00 74.02 O ATOM 958 CB GLN A 67 5.727 10.993 -4.666 1.00 63.20 C ATOM 959 CG GLN A 67 4.327 11.381 -4.163 1.00 24.54 C ATOM 960 CD GLN A 67 4.270 12.851 -3.761 1.00 62.01 C ATOM 961 OE1 GLN A 67 4.893 13.264 -2.788 1.00 44.13 O ATOM 962 NE2 GLN A 67 3.555 13.698 -4.487 1.00 72.32 N ATOM 0 H GLN A 67 7.852 9.943 -5.308 1.00 32.15 H new ATOM 0 HA GLN A 67 5.678 9.078 -3.741 1.00 42.43 H new ATOM 0 HB2 GLN A 67 6.482 11.418 -4.005 1.00 63.20 H new ATOM 0 HB3 GLN A 67 5.891 11.422 -5.654 1.00 63.20 H new ATOM 0 HG2 GLN A 67 3.591 11.186 -4.943 1.00 24.54 H new ATOM 0 HG3 GLN A 67 4.059 10.758 -3.310 1.00 24.54 H new ATOM 0 HE21 GLN A 67 3.035 13.362 -5.297 1.00 72.32 H new ATOM 0 HE22 GLN A 67 3.525 14.686 -4.236 1.00 72.32 H new ATOM 971 N ALA A 68 5.272 8.779 -7.017 1.00 5.05 N ATOM 972 CA ALA A 68 4.423 8.166 -8.024 1.00 22.23 C ATOM 973 C ALA A 68 4.213 6.683 -7.713 1.00 24.11 C ATOM 974 O ALA A 68 3.155 6.164 -8.074 1.00 1.41 O ATOM 975 CB ALA A 68 4.982 8.382 -9.431 1.00 44.15 C ATOM 0 H ALA A 68 6.140 9.168 -7.385 1.00 5.05 H new ATOM 0 HA ALA A 68 3.448 8.653 -7.996 1.00 22.23 H new ATOM 0 HB1 ALA A 68 4.323 7.911 -10.161 1.00 44.15 H new ATOM 0 HB2 ALA A 68 5.046 9.450 -9.637 1.00 44.15 H new ATOM 0 HB3 ALA A 68 5.975 7.939 -9.500 1.00 44.15 H new ATOM 981 N LEU A 69 5.181 6.001 -7.080 1.00 54.53 N ATOM 982 CA LEU A 69 5.076 4.591 -6.701 1.00 63.04 C ATOM 983 C LEU A 69 4.125 4.492 -5.507 1.00 40.55 C ATOM 984 O LEU A 69 3.267 3.611 -5.492 1.00 32.03 O ATOM 985 CB LEU A 69 6.442 3.960 -6.362 1.00 14.30 C ATOM 986 CG LEU A 69 7.455 3.972 -7.522 1.00 21.33 C ATOM 987 CD1 LEU A 69 8.829 3.492 -7.041 1.00 31.52 C ATOM 988 CD2 LEU A 69 6.998 3.103 -8.698 1.00 43.12 C ATOM 0 H LEU A 69 6.070 6.424 -6.815 1.00 54.53 H new ATOM 0 HA LEU A 69 4.691 4.029 -7.552 1.00 63.04 H new ATOM 0 HB2 LEU A 69 6.873 4.492 -5.514 1.00 14.30 H new ATOM 0 HB3 LEU A 69 6.284 2.929 -6.045 1.00 14.30 H new ATOM 0 HG LEU A 69 7.524 5.003 -7.869 1.00 21.33 H new ATOM 0 HD11 LEU A 69 9.532 3.507 -7.874 1.00 31.52 H new ATOM 0 HD12 LEU A 69 9.189 4.151 -6.251 1.00 31.52 H new ATOM 0 HD13 LEU A 69 8.745 2.476 -6.656 1.00 31.52 H new ATOM 0 HD21 LEU A 69 7.744 3.143 -9.491 1.00 43.12 H new ATOM 0 HD22 LEU A 69 6.878 2.072 -8.364 1.00 43.12 H new ATOM 0 HD23 LEU A 69 6.046 3.475 -9.077 1.00 43.12 H new ATOM 1000 N ASN A 70 4.226 5.414 -4.533 1.00 30.34 N ATOM 1001 CA ASN A 70 3.337 5.428 -3.361 1.00 23.14 C ATOM 1002 C ASN A 70 1.900 5.539 -3.869 1.00 70.45 C ATOM 1003 O ASN A 70 1.018 4.782 -3.459 1.00 51.05 O ATOM 1004 CB ASN A 70 3.591 6.617 -2.409 1.00 45.13 C ATOM 1005 CG ASN A 70 4.945 6.628 -1.717 1.00 2.31 C ATOM 1006 OD1 ASN A 70 5.684 7.601 -1.806 1.00 43.21 O ATOM 1007 ND2 ASN A 70 5.277 5.599 -0.964 1.00 75.35 N ATOM 0 H ASN A 70 4.919 6.162 -4.536 1.00 30.34 H new ATOM 0 HA ASN A 70 3.525 4.514 -2.798 1.00 23.14 H new ATOM 0 HB2 ASN A 70 3.485 7.542 -2.976 1.00 45.13 H new ATOM 0 HB3 ASN A 70 2.813 6.620 -1.646 1.00 45.13 H new ATOM 0 HD21 ASN A 70 6.157 5.607 -0.448 1.00 75.35 H new ATOM 0 HD22 ASN A 70 4.654 4.794 -0.897 1.00 75.35 H new ATOM 1014 N MET A 71 1.674 6.479 -4.793 1.00 74.10 N ATOM 1015 CA MET A 71 0.373 6.711 -5.394 1.00 52.01 C ATOM 1016 C MET A 71 -0.080 5.481 -6.181 1.00 53.43 C ATOM 1017 O MET A 71 -1.228 5.068 -6.027 1.00 54.12 O ATOM 1018 CB MET A 71 0.407 7.926 -6.329 1.00 23.45 C ATOM 1019 CG MET A 71 0.665 9.253 -5.610 1.00 51.24 C ATOM 1020 SD MET A 71 0.264 10.722 -6.595 1.00 52.23 S ATOM 1021 CE MET A 71 1.323 10.498 -8.056 1.00 52.12 C ATOM 0 H MET A 71 2.402 7.102 -5.143 1.00 74.10 H new ATOM 0 HA MET A 71 -0.333 6.906 -4.587 1.00 52.01 H new ATOM 0 HB2 MET A 71 1.183 7.773 -7.079 1.00 23.45 H new ATOM 0 HB3 MET A 71 -0.542 7.990 -6.861 1.00 23.45 H new ATOM 0 HG2 MET A 71 0.080 9.275 -4.691 1.00 51.24 H new ATOM 0 HG3 MET A 71 1.715 9.299 -5.321 1.00 51.24 H new ATOM 0 HE1 MET A 71 1.086 11.261 -8.797 1.00 52.12 H new ATOM 0 HE2 MET A 71 2.369 10.588 -7.764 1.00 52.12 H new ATOM 0 HE3 MET A 71 1.149 9.511 -8.484 1.00 52.12 H new ATOM 1031 N ALA A 72 0.805 4.903 -7.004 1.00 62.44 N ATOM 1032 CA ALA A 72 0.539 3.732 -7.838 1.00 23.10 C ATOM 1033 C ALA A 72 0.074 2.525 -7.024 1.00 32.23 C ATOM 1034 O ALA A 72 -0.695 1.698 -7.518 1.00 51.42 O ATOM 1035 CB ALA A 72 1.781 3.379 -8.654 1.00 55.50 C ATOM 0 H ALA A 72 1.757 5.253 -7.108 1.00 62.44 H new ATOM 0 HA ALA A 72 -0.278 3.992 -8.511 1.00 23.10 H new ATOM 0 HB1 ALA A 72 1.574 2.506 -9.272 1.00 55.50 H new ATOM 0 HB2 ALA A 72 2.048 4.221 -9.293 1.00 55.50 H new ATOM 0 HB3 ALA A 72 2.609 3.158 -7.980 1.00 55.50 H new ATOM 1041 N PHE A 73 0.538 2.411 -5.780 1.00 54.20 N ATOM 1042 CA PHE A 73 0.155 1.326 -4.901 1.00 53.15 C ATOM 1043 C PHE A 73 -1.298 1.528 -4.464 1.00 13.21 C ATOM 1044 O PHE A 73 -2.140 0.646 -4.657 1.00 41.30 O ATOM 1045 CB PHE A 73 1.103 1.290 -3.699 1.00 41.15 C ATOM 1046 CG PHE A 73 0.753 0.253 -2.653 1.00 65.23 C ATOM 1047 CD1 PHE A 73 0.252 0.657 -1.399 1.00 41.54 C ATOM 1048 CD2 PHE A 73 0.955 -1.115 -2.917 1.00 10.31 C ATOM 1049 CE1 PHE A 73 -0.007 -0.294 -0.399 1.00 33.32 C ATOM 1050 CE2 PHE A 73 0.702 -2.060 -1.910 1.00 22.15 C ATOM 1051 CZ PHE A 73 0.228 -1.655 -0.651 1.00 41.12 C ATOM 0 H PHE A 73 1.190 3.073 -5.360 1.00 54.20 H new ATOM 0 HA PHE A 73 0.228 0.369 -5.418 1.00 53.15 H new ATOM 0 HB2 PHE A 73 2.115 1.100 -4.056 1.00 41.15 H new ATOM 0 HB3 PHE A 73 1.111 2.273 -3.229 1.00 41.15 H new ATOM 0 HD1 PHE A 73 0.066 1.703 -1.206 1.00 41.54 H new ATOM 0 HD2 PHE A 73 1.302 -1.436 -3.888 1.00 10.31 H new ATOM 0 HE1 PHE A 73 -0.386 0.021 0.562 1.00 33.32 H new ATOM 0 HE2 PHE A 73 0.873 -3.108 -2.105 1.00 22.15 H new ATOM 0 HZ PHE A 73 0.045 -2.388 0.120 1.00 41.12 H new ATOM 1061 N ALA A 74 -1.593 2.694 -3.881 1.00 13.32 N ATOM 1062 CA ALA A 74 -2.918 3.041 -3.385 1.00 64.03 C ATOM 1063 C ALA A 74 -3.986 3.139 -4.481 1.00 30.45 C ATOM 1064 O ALA A 74 -5.160 2.880 -4.197 1.00 43.14 O ATOM 1065 CB ALA A 74 -2.831 4.350 -2.597 1.00 50.43 C ATOM 0 H ALA A 74 -0.903 3.432 -3.741 1.00 13.32 H new ATOM 0 HA ALA A 74 -3.241 2.225 -2.738 1.00 64.03 H new ATOM 0 HB1 ALA A 74 -3.820 4.616 -2.223 1.00 50.43 H new ATOM 0 HB2 ALA A 74 -2.147 4.225 -1.758 1.00 50.43 H new ATOM 0 HB3 ALA A 74 -2.464 5.143 -3.249 1.00 50.43 H new ATOM 1071 N SER A 75 -3.625 3.485 -5.718 1.00 51.10 N ATOM 1072 CA SER A 75 -4.591 3.604 -6.802 1.00 71.45 C ATOM 1073 C SER A 75 -5.233 2.256 -7.122 1.00 2.33 C ATOM 1074 O SER A 75 -6.433 2.211 -7.378 1.00 12.32 O ATOM 1075 CB SER A 75 -3.947 4.269 -8.023 1.00 11.33 C ATOM 1076 OG SER A 75 -2.652 3.780 -8.292 1.00 75.32 O ATOM 0 H SER A 75 -2.663 3.688 -5.991 1.00 51.10 H new ATOM 0 HA SER A 75 -5.404 4.255 -6.480 1.00 71.45 H new ATOM 0 HB2 SER A 75 -4.580 4.107 -8.895 1.00 11.33 H new ATOM 0 HB3 SER A 75 -3.897 5.346 -7.861 1.00 11.33 H new ATOM 0 HG SER A 75 -2.351 4.113 -9.163 1.00 75.32 H new ATOM 1082 N SER A 76 -4.491 1.146 -7.073 1.00 45.33 N ATOM 1083 CA SER A 76 -5.053 -0.173 -7.369 1.00 1.32 C ATOM 1084 C SER A 76 -6.078 -0.566 -6.314 1.00 45.40 C ATOM 1085 O SER A 76 -7.103 -1.166 -6.635 1.00 23.10 O ATOM 1086 CB SER A 76 -3.946 -1.224 -7.402 1.00 32.42 C ATOM 1087 OG SER A 76 -2.806 -0.710 -8.057 1.00 34.22 O ATOM 0 H SER A 76 -3.500 1.135 -6.831 1.00 45.33 H new ATOM 0 HA SER A 76 -5.539 -0.122 -8.343 1.00 1.32 H new ATOM 0 HB2 SER A 76 -3.687 -1.522 -6.386 1.00 32.42 H new ATOM 0 HB3 SER A 76 -4.298 -2.118 -7.917 1.00 32.42 H new ATOM 0 HG SER A 76 -2.044 -0.718 -7.441 1.00 34.22 H new ATOM 1093 N LEU A 77 -5.788 -0.228 -5.051 1.00 53.43 N ATOM 1094 CA LEU A 77 -6.673 -0.523 -3.939 1.00 61.34 C ATOM 1095 C LEU A 77 -8.019 0.139 -4.210 1.00 41.52 C ATOM 1096 O LEU A 77 -9.032 -0.541 -4.133 1.00 63.24 O ATOM 1097 CB LEU A 77 -6.082 -0.050 -2.597 1.00 63.51 C ATOM 1098 CG LEU A 77 -4.815 -0.801 -2.144 1.00 32.25 C ATOM 1099 CD1 LEU A 77 -4.242 -0.143 -0.879 1.00 73.45 C ATOM 1100 CD2 LEU A 77 -5.090 -2.281 -1.847 1.00 44.11 C ATOM 0 H LEU A 77 -4.932 0.257 -4.781 1.00 53.43 H new ATOM 0 HA LEU A 77 -6.799 -1.602 -3.856 1.00 61.34 H new ATOM 0 HB2 LEU A 77 -5.849 1.012 -2.674 1.00 63.51 H new ATOM 0 HB3 LEU A 77 -6.844 -0.154 -1.825 1.00 63.51 H new ATOM 0 HG LEU A 77 -4.101 -0.745 -2.965 1.00 32.25 H new ATOM 0 HD11 LEU A 77 -3.347 -0.679 -0.564 1.00 73.45 H new ATOM 0 HD12 LEU A 77 -3.988 0.895 -1.092 1.00 73.45 H new ATOM 0 HD13 LEU A 77 -4.985 -0.178 -0.082 1.00 73.45 H new ATOM 0 HD21 LEU A 77 -4.166 -2.767 -1.532 1.00 44.11 H new ATOM 0 HD22 LEU A 77 -5.832 -2.361 -1.052 1.00 44.11 H new ATOM 0 HD23 LEU A 77 -5.468 -2.768 -2.746 1.00 44.11 H new ATOM 1112 N ALA A 78 -8.023 1.436 -4.535 1.00 71.40 N ATOM 1113 CA ALA A 78 -9.222 2.220 -4.820 1.00 52.21 C ATOM 1114 C ALA A 78 -9.972 1.703 -6.047 1.00 12.20 C ATOM 1115 O ALA A 78 -11.189 1.556 -5.993 1.00 35.32 O ATOM 1116 CB ALA A 78 -8.796 3.667 -5.053 1.00 73.04 C ATOM 0 H ALA A 78 -7.165 1.982 -4.608 1.00 71.40 H new ATOM 0 HA ALA A 78 -9.902 2.139 -3.972 1.00 52.21 H new ATOM 0 HB1 ALA A 78 -9.675 4.275 -5.268 1.00 73.04 H new ATOM 0 HB2 ALA A 78 -8.301 4.049 -4.160 1.00 73.04 H new ATOM 0 HB3 ALA A 78 -8.108 3.712 -5.897 1.00 73.04 H new ATOM 1122 N GLU A 79 -9.248 1.389 -7.123 1.00 50.22 N ATOM 1123 CA GLU A 79 -9.819 0.904 -8.375 1.00 61.01 C ATOM 1124 C GLU A 79 -10.670 -0.344 -8.110 1.00 63.40 C ATOM 1125 O GLU A 79 -11.859 -0.372 -8.427 1.00 14.35 O ATOM 1126 CB GLU A 79 -8.666 0.594 -9.356 1.00 14.02 C ATOM 1127 CG GLU A 79 -9.017 0.728 -10.843 1.00 51.13 C ATOM 1128 CD GLU A 79 -8.779 2.156 -11.351 1.00 11.03 C ATOM 1129 OE1 GLU A 79 -7.628 2.494 -11.720 1.00 14.14 O ATOM 1130 OE2 GLU A 79 -9.721 2.976 -11.368 1.00 23.11 O ATOM 0 H GLU A 79 -8.231 1.467 -7.146 1.00 50.22 H new ATOM 0 HA GLU A 79 -10.467 1.662 -8.815 1.00 61.01 H new ATOM 0 HB2 GLU A 79 -7.833 1.261 -9.135 1.00 14.02 H new ATOM 0 HB3 GLU A 79 -8.318 -0.422 -9.172 1.00 14.02 H new ATOM 0 HG2 GLU A 79 -8.415 0.029 -11.424 1.00 51.13 H new ATOM 0 HG3 GLU A 79 -10.061 0.455 -10.997 1.00 51.13 H new ATOM 1137 N ILE A 80 -10.074 -1.348 -7.464 1.00 30.34 N ATOM 1138 CA ILE A 80 -10.716 -2.613 -7.129 1.00 4.24 C ATOM 1139 C ILE A 80 -11.776 -2.397 -6.035 1.00 44.42 C ATOM 1140 O ILE A 80 -12.845 -3.003 -6.085 1.00 21.13 O ATOM 1141 CB ILE A 80 -9.599 -3.623 -6.768 1.00 63.44 C ATOM 1142 CG1 ILE A 80 -8.652 -3.914 -7.960 1.00 74.41 C ATOM 1143 CG2 ILE A 80 -10.119 -4.954 -6.210 1.00 75.32 C ATOM 1144 CD1 ILE A 80 -9.305 -4.586 -9.175 1.00 64.04 C ATOM 0 H ILE A 80 -9.104 -1.298 -7.152 1.00 30.34 H new ATOM 0 HA ILE A 80 -11.272 -3.031 -7.968 1.00 4.24 H new ATOM 0 HB ILE A 80 -9.042 -3.123 -5.976 1.00 63.44 H new ATOM 0 HG12 ILE A 80 -8.205 -2.974 -8.284 1.00 74.41 H new ATOM 0 HG13 ILE A 80 -7.839 -4.550 -7.609 1.00 74.41 H new ATOM 0 HG21 ILE A 80 -9.276 -5.607 -5.982 1.00 75.32 H new ATOM 0 HG22 ILE A 80 -10.691 -4.769 -5.301 1.00 75.32 H new ATOM 0 HG23 ILE A 80 -10.759 -5.434 -6.950 1.00 75.32 H new ATOM 0 HD11 ILE A 80 -8.555 -4.744 -9.950 1.00 64.04 H new ATOM 0 HD12 ILE A 80 -9.727 -5.546 -8.877 1.00 64.04 H new ATOM 0 HD13 ILE A 80 -10.098 -3.946 -9.562 1.00 64.04 H new ATOM 1156 N ALA A 81 -11.515 -1.522 -5.054 1.00 5.25 N ATOM 1157 CA ALA A 81 -12.434 -1.208 -3.963 1.00 54.42 C ATOM 1158 C ALA A 81 -13.798 -0.780 -4.513 1.00 42.12 C ATOM 1159 O ALA A 81 -14.819 -1.274 -4.034 1.00 75.50 O ATOM 1160 CB ALA A 81 -11.870 -0.104 -3.061 1.00 11.52 C ATOM 0 H ALA A 81 -10.638 -1.004 -5.000 1.00 5.25 H new ATOM 0 HA ALA A 81 -12.557 -2.112 -3.366 1.00 54.42 H new ATOM 0 HB1 ALA A 81 -12.577 0.107 -2.259 1.00 11.52 H new ATOM 0 HB2 ALA A 81 -10.923 -0.432 -2.633 1.00 11.52 H new ATOM 0 HB3 ALA A 81 -11.709 0.799 -3.649 1.00 11.52 H new ATOM 1166 N ALA A 82 -13.812 0.118 -5.501 1.00 65.13 N ATOM 1167 CA ALA A 82 -15.039 0.618 -6.100 1.00 2.25 C ATOM 1168 C ALA A 82 -15.652 -0.329 -7.136 1.00 0.41 C ATOM 1169 O ALA A 82 -16.879 -0.359 -7.264 1.00 12.03 O ATOM 1170 CB ALA A 82 -14.726 1.947 -6.798 1.00 75.34 C ATOM 0 H ALA A 82 -12.965 0.517 -5.906 1.00 65.13 H new ATOM 0 HA ALA A 82 -15.765 0.725 -5.294 1.00 2.25 H new ATOM 0 HB1 ALA A 82 -15.634 2.341 -7.255 1.00 75.34 H new ATOM 0 HB2 ALA A 82 -14.348 2.662 -6.067 1.00 75.34 H new ATOM 0 HB3 ALA A 82 -13.973 1.785 -7.569 1.00 75.34 H new ATOM 1176 N SER A 83 -14.819 -1.104 -7.839 1.00 65.41 N ATOM 1177 CA SER A 83 -15.220 -2.023 -8.898 1.00 45.12 C ATOM 1178 C SER A 83 -16.200 -3.124 -8.496 1.00 52.23 C ATOM 1179 O SER A 83 -17.125 -3.410 -9.256 1.00 12.23 O ATOM 1180 CB SER A 83 -13.966 -2.612 -9.551 1.00 23.22 C ATOM 1181 OG SER A 83 -14.247 -3.145 -10.824 1.00 71.13 O ATOM 0 H SER A 83 -13.812 -1.105 -7.677 1.00 65.41 H new ATOM 0 HA SER A 83 -15.790 -1.424 -9.608 1.00 45.12 H new ATOM 0 HB2 SER A 83 -13.204 -1.838 -9.640 1.00 23.22 H new ATOM 0 HB3 SER A 83 -13.554 -3.393 -8.912 1.00 23.22 H new ATOM 0 HG SER A 83 -13.426 -3.511 -11.214 1.00 71.13 H new ATOM 1187 N GLU A 84 -16.009 -3.782 -7.360 1.00 14.12 N ATOM 1188 CA GLU A 84 -16.889 -4.841 -6.883 1.00 12.35 C ATOM 1189 C GLU A 84 -16.737 -4.792 -5.377 1.00 73.44 C ATOM 1190 O GLU A 84 -15.667 -5.139 -4.881 1.00 65.23 O ATOM 1191 CB GLU A 84 -16.503 -6.208 -7.484 1.00 62.01 C ATOM 1192 CG GLU A 84 -17.287 -7.365 -6.841 1.00 33.44 C ATOM 1193 CD GLU A 84 -17.153 -8.670 -7.632 1.00 31.05 C ATOM 1194 OE1 GLU A 84 -17.830 -8.820 -8.674 1.00 1.33 O ATOM 1195 OE2 GLU A 84 -16.414 -9.597 -7.216 1.00 44.31 O ATOM 0 H GLU A 84 -15.226 -3.592 -6.734 1.00 14.12 H new ATOM 0 HA GLU A 84 -17.927 -4.703 -7.185 1.00 12.35 H new ATOM 0 HB2 GLU A 84 -16.689 -6.197 -8.558 1.00 62.01 H new ATOM 0 HB3 GLU A 84 -15.434 -6.375 -7.348 1.00 62.01 H new ATOM 0 HG2 GLU A 84 -16.929 -7.522 -5.823 1.00 33.44 H new ATOM 0 HG3 GLU A 84 -18.340 -7.092 -6.771 1.00 33.44 H new ATOM 1202 N GLU A 85 -17.754 -4.294 -4.672 1.00 33.31 N ATOM 1203 CA GLU A 85 -17.786 -4.155 -3.221 1.00 5.35 C ATOM 1204 C GLU A 85 -17.478 -5.504 -2.565 1.00 75.10 C ATOM 1205 O GLU A 85 -18.313 -6.419 -2.570 1.00 40.40 O ATOM 1206 CB GLU A 85 -19.139 -3.578 -2.765 1.00 51.44 C ATOM 1207 CG GLU A 85 -19.293 -2.106 -3.174 1.00 22.32 C ATOM 1208 CD GLU A 85 -20.639 -1.527 -2.730 1.00 44.43 C ATOM 1209 OE1 GLU A 85 -21.698 -2.007 -3.193 1.00 33.13 O ATOM 1210 OE2 GLU A 85 -20.660 -0.554 -1.944 1.00 75.34 O ATOM 0 H GLU A 85 -18.611 -3.964 -5.117 1.00 33.31 H new ATOM 0 HA GLU A 85 -17.018 -3.450 -2.904 1.00 5.35 H new ATOM 0 HB2 GLU A 85 -19.950 -4.163 -3.199 1.00 51.44 H new ATOM 0 HB3 GLU A 85 -19.226 -3.666 -1.682 1.00 51.44 H new ATOM 0 HG2 GLU A 85 -18.484 -1.521 -2.736 1.00 22.32 H new ATOM 0 HG3 GLU A 85 -19.200 -2.018 -4.256 1.00 22.32 H new ATOM 1217 N GLY A 86 -16.269 -5.631 -2.019 1.00 50.55 N ATOM 1218 CA GLY A 86 -15.763 -6.809 -1.345 1.00 44.11 C ATOM 1219 C GLY A 86 -16.323 -6.811 0.065 1.00 44.11 C ATOM 1220 O GLY A 86 -15.752 -6.175 0.956 1.00 31.30 O ATOM 0 H GLY A 86 -15.588 -4.872 -2.040 1.00 50.55 H new ATOM 0 HA2 GLY A 86 -16.063 -7.712 -1.877 1.00 44.11 H new ATOM 0 HA3 GLY A 86 -14.673 -6.799 -1.324 1.00 44.11 H new ATOM 1224 N GLY A 87 -17.482 -7.442 0.257 1.00 14.12 N ATOM 1225 CA GLY A 87 -18.185 -7.544 1.533 1.00 10.34 C ATOM 1226 C GLY A 87 -18.658 -6.198 2.095 1.00 41.34 C ATOM 1227 O GLY A 87 -19.263 -6.162 3.170 1.00 2.40 O ATOM 0 H GLY A 87 -17.974 -7.913 -0.502 1.00 14.12 H new ATOM 0 HA2 GLY A 87 -19.048 -8.198 1.409 1.00 10.34 H new ATOM 0 HA3 GLY A 87 -17.528 -8.019 2.261 1.00 10.34 H new ATOM 1231 N GLY A 88 -18.409 -5.089 1.395 1.00 40.44 N ATOM 1232 CA GLY A 88 -18.786 -3.755 1.803 1.00 14.02 C ATOM 1233 C GLY A 88 -18.244 -2.700 0.850 1.00 32.25 C ATOM 1234 O GLY A 88 -17.366 -2.970 0.025 1.00 71.35 O ATOM 0 H GLY A 88 -17.922 -5.107 0.499 1.00 40.44 H new ATOM 0 HA2 GLY A 88 -19.873 -3.682 1.847 1.00 14.02 H new ATOM 0 HA3 GLY A 88 -18.412 -3.563 2.809 1.00 14.02 H new ATOM 1238 N SER A 89 -18.761 -1.490 1.019 1.00 21.52 N ATOM 1239 CA SER A 89 -18.468 -0.281 0.269 1.00 43.33 C ATOM 1240 C SER A 89 -17.048 0.248 0.466 1.00 54.33 C ATOM 1241 O SER A 89 -16.269 -0.278 1.261 1.00 53.45 O ATOM 1242 CB SER A 89 -19.520 0.766 0.663 1.00 45.12 C ATOM 1243 OG SER A 89 -20.815 0.213 0.504 1.00 34.33 O ATOM 0 H SER A 89 -19.455 -1.317 1.747 1.00 21.52 H new ATOM 0 HA SER A 89 -18.518 -0.512 -0.795 1.00 43.33 H new ATOM 0 HB2 SER A 89 -19.370 1.078 1.697 1.00 45.12 H new ATOM 0 HB3 SER A 89 -19.414 1.656 0.043 1.00 45.12 H new ATOM 0 HG SER A 89 -20.984 0.044 -0.446 1.00 34.33 H new ATOM 1249 N LEU A 90 -16.720 1.329 -0.252 1.00 13.32 N ATOM 1250 CA LEU A 90 -15.417 1.992 -0.205 1.00 0.23 C ATOM 1251 C LEU A 90 -15.001 2.295 1.229 1.00 33.30 C ATOM 1252 O LEU A 90 -13.869 1.994 1.615 1.00 22.21 O ATOM 1253 CB LEU A 90 -15.439 3.305 -1.019 1.00 52.40 C ATOM 1254 CG LEU A 90 -15.284 3.181 -2.546 1.00 4.44 C ATOM 1255 CD1 LEU A 90 -14.148 2.236 -2.919 1.00 73.43 C ATOM 1256 CD2 LEU A 90 -16.573 2.747 -3.246 1.00 3.24 C ATOM 0 H LEU A 90 -17.372 1.776 -0.897 1.00 13.32 H new ATOM 0 HA LEU A 90 -14.691 1.308 -0.644 1.00 0.23 H new ATOM 0 HB2 LEU A 90 -16.380 3.815 -0.814 1.00 52.40 H new ATOM 0 HB3 LEU A 90 -14.640 3.947 -0.648 1.00 52.40 H new ATOM 0 HG LEU A 90 -15.043 4.184 -2.898 1.00 4.44 H new ATOM 0 HD11 LEU A 90 -14.068 2.173 -4.004 1.00 73.43 H new ATOM 0 HD12 LEU A 90 -13.212 2.613 -2.508 1.00 73.43 H new ATOM 0 HD13 LEU A 90 -14.351 1.245 -2.512 1.00 73.43 H new ATOM 0 HD21 LEU A 90 -16.398 2.678 -4.320 1.00 3.24 H new ATOM 0 HD22 LEU A 90 -16.884 1.774 -2.866 1.00 3.24 H new ATOM 0 HD23 LEU A 90 -17.357 3.479 -3.052 1.00 3.24 H new ATOM 1268 N SER A 91 -15.935 2.827 2.019 1.00 42.34 N ATOM 1269 CA SER A 91 -15.739 3.187 3.413 1.00 71.02 C ATOM 1270 C SER A 91 -15.323 1.972 4.248 1.00 61.21 C ATOM 1271 O SER A 91 -14.523 2.113 5.172 1.00 64.11 O ATOM 1272 CB SER A 91 -17.044 3.800 3.934 1.00 34.24 C ATOM 1273 OG SER A 91 -17.602 4.673 2.966 1.00 53.34 O ATOM 0 H SER A 91 -16.880 3.024 1.689 1.00 42.34 H new ATOM 0 HA SER A 91 -14.930 3.913 3.497 1.00 71.02 H new ATOM 0 HB2 SER A 91 -17.755 3.009 4.172 1.00 34.24 H new ATOM 0 HB3 SER A 91 -16.853 4.346 4.858 1.00 34.24 H new ATOM 0 HG SER A 91 -18.435 5.055 3.312 1.00 53.34 H new ATOM 1279 N THR A 92 -15.844 0.786 3.929 1.00 31.33 N ATOM 1280 CA THR A 92 -15.520 -0.449 4.624 1.00 13.20 C ATOM 1281 C THR A 92 -14.127 -0.913 4.184 1.00 31.11 C ATOM 1282 O THR A 92 -13.293 -1.234 5.031 1.00 64.04 O ATOM 1283 CB THR A 92 -16.589 -1.506 4.299 1.00 73.12 C ATOM 1284 OG1 THR A 92 -17.892 -0.965 4.437 1.00 42.42 O ATOM 1285 CG2 THR A 92 -16.483 -2.706 5.233 1.00 2.30 C ATOM 0 H THR A 92 -16.512 0.661 3.169 1.00 31.33 H new ATOM 0 HA THR A 92 -15.510 -0.294 5.703 1.00 13.20 H new ATOM 0 HB THR A 92 -16.416 -1.821 3.270 1.00 73.12 H new ATOM 0 HG1 THR A 92 -18.556 -1.653 4.224 1.00 42.42 H new ATOM 0 HG21 THR A 92 -17.252 -3.435 4.978 1.00 2.30 H new ATOM 0 HG22 THR A 92 -15.499 -3.164 5.127 1.00 2.30 H new ATOM 0 HG23 THR A 92 -16.622 -2.378 6.263 1.00 2.30 H new ATOM 1293 N LYS A 93 -13.833 -0.856 2.877 1.00 14.32 N ATOM 1294 CA LYS A 93 -12.563 -1.279 2.299 1.00 74.32 C ATOM 1295 C LYS A 93 -11.353 -0.678 3.010 1.00 51.25 C ATOM 1296 O LYS A 93 -10.424 -1.415 3.344 1.00 30.45 O ATOM 1297 CB LYS A 93 -12.532 -0.968 0.785 1.00 61.53 C ATOM 1298 CG LYS A 93 -11.747 -2.034 -0.005 1.00 1.40 C ATOM 1299 CD LYS A 93 -12.664 -3.199 -0.389 1.00 60.45 C ATOM 1300 CE LYS A 93 -11.991 -4.444 -0.975 1.00 44.24 C ATOM 1301 NZ LYS A 93 -11.621 -4.317 -2.395 1.00 71.55 N ATOM 0 H LYS A 93 -14.492 -0.505 2.182 1.00 14.32 H new ATOM 0 HA LYS A 93 -12.492 -2.357 2.442 1.00 74.32 H new ATOM 0 HB2 LYS A 93 -13.552 -0.912 0.405 1.00 61.53 H new ATOM 0 HB3 LYS A 93 -12.078 0.010 0.625 1.00 61.53 H new ATOM 0 HG2 LYS A 93 -11.320 -1.588 -0.903 1.00 1.40 H new ATOM 0 HG3 LYS A 93 -10.915 -2.401 0.596 1.00 1.40 H new ATOM 0 HD2 LYS A 93 -13.221 -3.500 0.499 1.00 60.45 H new ATOM 0 HD3 LYS A 93 -13.392 -2.834 -1.113 1.00 60.45 H new ATOM 0 HE2 LYS A 93 -11.095 -4.666 -0.396 1.00 44.24 H new ATOM 0 HE3 LYS A 93 -12.663 -5.295 -0.861 1.00 44.24 H new ATOM 0 HZ1 LYS A 93 -11.157 -5.192 -2.712 1.00 71.55 H new ATOM 0 HZ2 LYS A 93 -12.476 -4.153 -2.963 1.00 71.55 H new ATOM 0 HZ3 LYS A 93 -10.968 -3.516 -2.513 1.00 71.55 H new ATOM 1315 N THR A 94 -11.337 0.634 3.254 1.00 24.33 N ATOM 1316 CA THR A 94 -10.200 1.282 3.907 1.00 52.15 C ATOM 1317 C THR A 94 -9.870 0.649 5.258 1.00 41.24 C ATOM 1318 O THR A 94 -8.696 0.500 5.597 1.00 41.41 O ATOM 1319 CB THR A 94 -10.443 2.789 4.052 1.00 24.25 C ATOM 1320 OG1 THR A 94 -11.579 3.044 4.857 1.00 53.21 O ATOM 1321 CG2 THR A 94 -10.672 3.433 2.689 1.00 41.13 C ATOM 0 H THR A 94 -12.098 1.267 3.009 1.00 24.33 H new ATOM 0 HA THR A 94 -9.332 1.131 3.265 1.00 52.15 H new ATOM 0 HB THR A 94 -9.556 3.214 4.521 1.00 24.25 H new ATOM 0 HG1 THR A 94 -11.713 4.012 4.936 1.00 53.21 H new ATOM 0 HG21 THR A 94 -10.842 4.502 2.816 1.00 41.13 H new ATOM 0 HG22 THR A 94 -9.795 3.277 2.061 1.00 41.13 H new ATOM 0 HG23 THR A 94 -11.543 2.981 2.215 1.00 41.13 H new ATOM 1329 N SER A 95 -10.886 0.237 6.017 1.00 73.13 N ATOM 1330 CA SER A 95 -10.709 -0.382 7.315 1.00 52.15 C ATOM 1331 C SER A 95 -9.931 -1.692 7.176 1.00 72.11 C ATOM 1332 O SER A 95 -8.977 -1.903 7.923 1.00 32.22 O ATOM 1333 CB SER A 95 -12.088 -0.587 7.961 1.00 43.22 C ATOM 1334 OG SER A 95 -11.990 -1.122 9.262 1.00 22.11 O ATOM 0 H SER A 95 -11.863 0.328 5.738 1.00 73.13 H new ATOM 0 HA SER A 95 -10.121 0.265 7.966 1.00 52.15 H new ATOM 0 HB2 SER A 95 -12.615 0.366 8.000 1.00 43.22 H new ATOM 0 HB3 SER A 95 -12.684 -1.255 7.339 1.00 43.22 H new ATOM 0 HG SER A 95 -12.888 -1.235 9.638 1.00 22.11 H new ATOM 1340 N SER A 96 -10.287 -2.573 6.231 1.00 62.41 N ATOM 1341 CA SER A 96 -9.568 -3.838 6.111 1.00 3.11 C ATOM 1342 C SER A 96 -8.123 -3.609 5.652 1.00 44.24 C ATOM 1343 O SER A 96 -7.235 -4.379 6.014 1.00 41.50 O ATOM 1344 CB SER A 96 -10.360 -4.872 5.290 1.00 22.30 C ATOM 1345 OG SER A 96 -11.410 -4.297 4.522 1.00 14.20 O ATOM 0 H SER A 96 -11.044 -2.436 5.561 1.00 62.41 H new ATOM 0 HA SER A 96 -9.483 -4.291 7.099 1.00 3.11 H new ATOM 0 HB2 SER A 96 -9.676 -5.396 4.622 1.00 22.30 H new ATOM 0 HB3 SER A 96 -10.780 -5.617 5.966 1.00 22.30 H new ATOM 0 HG SER A 96 -12.135 -4.948 4.420 1.00 14.20 H new ATOM 1351 N ILE A 97 -7.863 -2.538 4.893 1.00 72.25 N ATOM 1352 CA ILE A 97 -6.523 -2.197 4.418 1.00 73.42 C ATOM 1353 C ILE A 97 -5.703 -1.691 5.596 1.00 63.10 C ATOM 1354 O ILE A 97 -4.613 -2.202 5.832 1.00 43.35 O ATOM 1355 CB ILE A 97 -6.606 -1.121 3.318 1.00 73.12 C ATOM 1356 CG1 ILE A 97 -7.062 -1.772 2.002 1.00 23.12 C ATOM 1357 CG2 ILE A 97 -5.285 -0.373 3.055 1.00 12.54 C ATOM 1358 CD1 ILE A 97 -7.931 -0.826 1.170 1.00 10.33 C ATOM 0 H ILE A 97 -8.583 -1.882 4.591 1.00 72.25 H new ATOM 0 HA ILE A 97 -6.045 -3.079 3.992 1.00 73.42 H new ATOM 0 HB ILE A 97 -7.320 -0.382 3.681 1.00 73.12 H new ATOM 0 HG12 ILE A 97 -6.188 -2.068 1.421 1.00 23.12 H new ATOM 0 HG13 ILE A 97 -7.622 -2.681 2.221 1.00 23.12 H new ATOM 0 HG21 ILE A 97 -5.435 0.365 2.267 1.00 12.54 H new ATOM 0 HG22 ILE A 97 -4.964 0.131 3.967 1.00 12.54 H new ATOM 0 HG23 ILE A 97 -4.520 -1.084 2.745 1.00 12.54 H new ATOM 0 HD11 ILE A 97 -8.232 -1.324 0.249 1.00 10.33 H new ATOM 0 HD12 ILE A 97 -8.818 -0.551 1.740 1.00 10.33 H new ATOM 0 HD13 ILE A 97 -7.362 0.072 0.928 1.00 10.33 H new ATOM 1370 N ALA A 98 -6.206 -0.697 6.334 1.00 74.53 N ATOM 1371 CA ALA A 98 -5.509 -0.120 7.470 1.00 23.53 C ATOM 1372 C ALA A 98 -5.153 -1.196 8.486 1.00 31.10 C ATOM 1373 O ALA A 98 -4.017 -1.251 8.966 1.00 13.40 O ATOM 1374 CB ALA A 98 -6.360 0.966 8.122 1.00 23.14 C ATOM 0 H ALA A 98 -7.115 -0.272 6.152 1.00 74.53 H new ATOM 0 HA ALA A 98 -4.584 0.332 7.110 1.00 23.53 H new ATOM 0 HB1 ALA A 98 -5.823 1.388 8.972 1.00 23.14 H new ATOM 0 HB2 ALA A 98 -6.565 1.752 7.396 1.00 23.14 H new ATOM 0 HB3 ALA A 98 -7.300 0.534 8.465 1.00 23.14 H new ATOM 1380 N SER A 99 -6.118 -2.059 8.790 1.00 11.24 N ATOM 1381 CA SER A 99 -5.923 -3.131 9.747 1.00 11.04 C ATOM 1382 C SER A 99 -4.939 -4.174 9.189 1.00 73.13 C ATOM 1383 O SER A 99 -4.197 -4.766 9.971 1.00 42.41 O ATOM 1384 CB SER A 99 -7.293 -3.640 10.205 1.00 51.03 C ATOM 1385 OG SER A 99 -7.995 -2.536 10.760 1.00 23.10 O ATOM 0 H SER A 99 -7.051 -2.031 8.379 1.00 11.24 H new ATOM 0 HA SER A 99 -5.432 -2.790 10.659 1.00 11.04 H new ATOM 0 HB2 SER A 99 -7.845 -4.063 9.366 1.00 51.03 H new ATOM 0 HB3 SER A 99 -7.180 -4.433 10.944 1.00 51.03 H new ATOM 0 HG SER A 99 -8.484 -2.069 10.050 1.00 23.10 H new ATOM 1391 N ALA A 100 -4.862 -4.392 7.864 1.00 15.11 N ATOM 1392 CA ALA A 100 -3.901 -5.340 7.296 1.00 4.14 C ATOM 1393 C ALA A 100 -2.497 -4.710 7.342 1.00 53.44 C ATOM 1394 O ALA A 100 -1.520 -5.396 7.637 1.00 52.55 O ATOM 1395 CB ALA A 100 -4.281 -5.710 5.858 1.00 3.31 C ATOM 0 H ALA A 100 -5.452 -3.926 7.175 1.00 15.11 H new ATOM 0 HA ALA A 100 -3.910 -6.259 7.883 1.00 4.14 H new ATOM 0 HB1 ALA A 100 -3.552 -6.415 5.459 1.00 3.31 H new ATOM 0 HB2 ALA A 100 -5.270 -6.167 5.849 1.00 3.31 H new ATOM 0 HB3 ALA A 100 -4.291 -4.811 5.242 1.00 3.31 H new ATOM 1401 N LEU A 101 -2.390 -3.400 7.063 1.00 30.44 N ATOM 1402 CA LEU A 101 -1.138 -2.646 7.076 1.00 41.11 C ATOM 1403 C LEU A 101 -0.523 -2.720 8.468 1.00 54.43 C ATOM 1404 O LEU A 101 0.690 -2.833 8.585 1.00 43.23 O ATOM 1405 CB LEU A 101 -1.372 -1.171 6.689 1.00 20.13 C ATOM 1406 CG LEU A 101 -1.603 -0.957 5.184 1.00 2.45 C ATOM 1407 CD1 LEU A 101 -2.231 0.413 4.909 1.00 34.42 C ATOM 1408 CD2 LEU A 101 -0.297 -1.029 4.404 1.00 42.33 C ATOM 0 H LEU A 101 -3.197 -2.827 6.816 1.00 30.44 H new ATOM 0 HA LEU A 101 -0.461 -3.085 6.343 1.00 41.11 H new ATOM 0 HB2 LEU A 101 -2.235 -0.793 7.238 1.00 20.13 H new ATOM 0 HB3 LEU A 101 -0.511 -0.581 7.003 1.00 20.13 H new ATOM 0 HG LEU A 101 -2.275 -1.752 4.861 1.00 2.45 H new ATOM 0 HD11 LEU A 101 -2.382 0.535 3.836 1.00 34.42 H new ATOM 0 HD12 LEU A 101 -3.191 0.483 5.421 1.00 34.42 H new ATOM 0 HD13 LEU A 101 -1.567 1.197 5.273 1.00 34.42 H new ATOM 0 HD21 LEU A 101 -0.497 -0.873 3.344 1.00 42.33 H new ATOM 0 HD22 LEU A 101 0.384 -0.256 4.762 1.00 42.33 H new ATOM 0 HD23 LEU A 101 0.159 -2.009 4.547 1.00 42.33 H new ATOM 1420 N SER A 102 -1.361 -2.678 9.506 1.00 61.35 N ATOM 1421 CA SER A 102 -0.970 -2.755 10.904 1.00 35.41 C ATOM 1422 C SER A 102 -0.076 -3.999 11.093 1.00 33.44 C ATOM 1423 O SER A 102 1.091 -3.893 11.475 1.00 14.20 O ATOM 1424 CB SER A 102 -2.265 -2.801 11.741 1.00 2.53 C ATOM 1425 OG SER A 102 -2.127 -2.247 13.030 1.00 23.12 O ATOM 0 H SER A 102 -2.369 -2.586 9.384 1.00 61.35 H new ATOM 0 HA SER A 102 -0.388 -1.893 11.230 1.00 35.41 H new ATOM 0 HB2 SER A 102 -3.051 -2.266 11.208 1.00 2.53 H new ATOM 0 HB3 SER A 102 -2.591 -3.837 11.833 1.00 2.53 H new ATOM 0 HG SER A 102 -2.982 -2.306 13.505 1.00 23.12 H new ATOM 1431 N ASN A 103 -0.606 -5.172 10.729 1.00 12.52 N ATOM 1432 CA ASN A 103 0.096 -6.445 10.846 1.00 75.24 C ATOM 1433 C ASN A 103 1.348 -6.496 9.965 1.00 52.15 C ATOM 1434 O ASN A 103 2.374 -7.024 10.397 1.00 63.21 O ATOM 1435 CB ASN A 103 -0.882 -7.583 10.479 1.00 2.15 C ATOM 1436 CG ASN A 103 -0.400 -8.942 10.975 1.00 11.00 C ATOM 1437 OD1 ASN A 103 0.133 -9.066 12.079 1.00 12.20 O ATOM 1438 ND2 ASN A 103 -0.611 -10.001 10.214 1.00 11.04 N ATOM 0 H ASN A 103 -1.545 -5.260 10.341 1.00 12.52 H new ATOM 0 HA ASN A 103 0.438 -6.563 11.874 1.00 75.24 H new ATOM 0 HB2 ASN A 103 -1.862 -7.369 10.906 1.00 2.15 H new ATOM 0 HB3 ASN A 103 -1.007 -7.617 9.397 1.00 2.15 H new ATOM 0 HD21 ASN A 103 -0.332 -10.927 10.540 1.00 11.04 H new ATOM 0 HD22 ASN A 103 -1.053 -9.893 9.301 1.00 11.04 H new ATOM 1445 N ALA A 104 1.285 -5.933 8.752 1.00 71.23 N ATOM 1446 CA ALA A 104 2.398 -5.914 7.801 1.00 70.44 C ATOM 1447 C ALA A 104 3.580 -5.049 8.265 1.00 13.41 C ATOM 1448 O ALA A 104 4.737 -5.435 8.077 1.00 61.32 O ATOM 1449 CB ALA A 104 1.898 -5.487 6.411 1.00 41.34 C ATOM 0 H ALA A 104 0.446 -5.472 8.401 1.00 71.23 H new ATOM 0 HA ALA A 104 2.786 -6.931 7.743 1.00 70.44 H new ATOM 0 HB1 ALA A 104 2.734 -5.476 5.711 1.00 41.34 H new ATOM 0 HB2 ALA A 104 1.143 -6.192 6.064 1.00 41.34 H new ATOM 0 HB3 ALA A 104 1.463 -4.490 6.472 1.00 41.34 H new ATOM 1455 N PHE A 105 3.335 -3.882 8.875 1.00 24.01 N ATOM 1456 CA PHE A 105 4.429 -3.031 9.347 1.00 44.04 C ATOM 1457 C PHE A 105 5.195 -3.744 10.463 1.00 44.45 C ATOM 1458 O PHE A 105 6.426 -3.681 10.511 1.00 42.13 O ATOM 1459 CB PHE A 105 3.937 -1.644 9.778 1.00 1.23 C ATOM 1460 CG PHE A 105 3.778 -0.679 8.622 1.00 74.02 C ATOM 1461 CD1 PHE A 105 4.919 -0.280 7.899 1.00 61.30 C ATOM 1462 CD2 PHE A 105 2.510 -0.197 8.248 1.00 72.20 C ATOM 1463 CE1 PHE A 105 4.791 0.572 6.792 1.00 50.42 C ATOM 1464 CE2 PHE A 105 2.384 0.659 7.140 1.00 61.44 C ATOM 1465 CZ PHE A 105 3.523 1.043 6.415 1.00 31.12 C ATOM 0 H PHE A 105 2.401 -3.511 9.051 1.00 24.01 H new ATOM 0 HA PHE A 105 5.114 -2.859 8.517 1.00 44.04 H new ATOM 0 HB2 PHE A 105 2.980 -1.748 10.289 1.00 1.23 H new ATOM 0 HB3 PHE A 105 4.639 -1.225 10.498 1.00 1.23 H new ATOM 0 HD1 PHE A 105 5.896 -0.631 8.198 1.00 61.30 H new ATOM 0 HD2 PHE A 105 1.635 -0.484 8.812 1.00 72.20 H new ATOM 0 HE1 PHE A 105 5.666 0.865 6.231 1.00 50.42 H new ATOM 0 HE2 PHE A 105 1.410 1.022 6.846 1.00 61.44 H new ATOM 0 HZ PHE A 105 3.424 1.702 5.565 1.00 31.12 H new ATOM 1475 N LEU A 106 4.504 -4.492 11.328 1.00 51.21 N ATOM 1476 CA LEU A 106 5.173 -5.216 12.401 1.00 1.14 C ATOM 1477 C LEU A 106 6.142 -6.257 11.838 1.00 20.33 C ATOM 1478 O LEU A 106 7.172 -6.520 12.452 1.00 24.23 O ATOM 1479 CB LEU A 106 4.155 -5.886 13.329 1.00 63.25 C ATOM 1480 CG LEU A 106 3.401 -4.904 14.235 1.00 61.13 C ATOM 1481 CD1 LEU A 106 2.488 -5.693 15.157 1.00 64.51 C ATOM 1482 CD2 LEU A 106 4.338 -4.061 15.099 1.00 63.31 C ATOM 0 H LEU A 106 3.491 -4.609 11.303 1.00 51.21 H new ATOM 0 HA LEU A 106 5.744 -4.492 12.982 1.00 1.14 H new ATOM 0 HB2 LEU A 106 3.433 -6.435 12.725 1.00 63.25 H new ATOM 0 HB3 LEU A 106 4.671 -6.617 13.952 1.00 63.25 H new ATOM 0 HG LEU A 106 2.841 -4.228 13.588 1.00 61.13 H new ATOM 0 HD11 LEU A 106 1.946 -5.006 15.807 1.00 64.51 H new ATOM 0 HD12 LEU A 106 1.778 -6.267 14.562 1.00 64.51 H new ATOM 0 HD13 LEU A 106 3.085 -6.373 15.765 1.00 64.51 H new ATOM 0 HD21 LEU A 106 3.750 -3.384 15.720 1.00 63.31 H new ATOM 0 HD22 LEU A 106 4.932 -4.715 15.737 1.00 63.31 H new ATOM 0 HD23 LEU A 106 5.001 -3.481 14.457 1.00 63.31 H new ATOM 1494 N GLN A 107 5.845 -6.840 10.675 1.00 31.12 N ATOM 1495 CA GLN A 107 6.691 -7.843 10.030 1.00 41.01 C ATOM 1496 C GLN A 107 7.861 -7.224 9.259 1.00 4.32 C ATOM 1497 O GLN A 107 8.668 -7.968 8.701 1.00 13.21 O ATOM 1498 CB GLN A 107 5.816 -8.738 9.143 1.00 54.02 C ATOM 1499 CG GLN A 107 5.134 -9.790 10.028 1.00 44.13 C ATOM 1500 CD GLN A 107 4.051 -10.577 9.301 1.00 51.43 C ATOM 1501 OE1 GLN A 107 4.250 -11.042 8.178 1.00 31.22 O ATOM 1502 NE2 GLN A 107 2.910 -10.785 9.930 1.00 1.02 N ATOM 0 H GLN A 107 4.998 -6.625 10.148 1.00 31.12 H new ATOM 0 HA GLN A 107 7.156 -8.455 10.803 1.00 41.01 H new ATOM 0 HB2 GLN A 107 5.068 -8.139 8.623 1.00 54.02 H new ATOM 0 HB3 GLN A 107 6.424 -9.223 8.379 1.00 54.02 H new ATOM 0 HG2 GLN A 107 5.887 -10.483 10.403 1.00 44.13 H new ATOM 0 HG3 GLN A 107 4.695 -9.296 10.895 1.00 44.13 H new ATOM 0 HE21 GLN A 107 2.761 -10.393 10.860 1.00 1.02 H new ATOM 0 HE22 GLN A 107 2.177 -11.338 9.487 1.00 1.02 H new ATOM 1511 N THR A 108 7.986 -5.895 9.228 1.00 34.02 N ATOM 1512 CA THR A 108 9.071 -5.211 8.535 1.00 52.50 C ATOM 1513 C THR A 108 9.903 -4.376 9.511 1.00 20.43 C ATOM 1514 O THR A 108 11.122 -4.554 9.540 1.00 14.33 O ATOM 1515 CB THR A 108 8.541 -4.437 7.317 1.00 2.12 C ATOM 1516 OG1 THR A 108 7.261 -3.859 7.523 1.00 0.14 O ATOM 1517 CG2 THR A 108 8.411 -5.370 6.120 1.00 41.44 C ATOM 0 H THR A 108 7.331 -5.263 9.687 1.00 34.02 H new ATOM 0 HA THR A 108 9.764 -5.947 8.128 1.00 52.50 H new ATOM 0 HB THR A 108 9.264 -3.639 7.146 1.00 2.12 H new ATOM 0 HG1 THR A 108 6.590 -4.569 7.603 1.00 0.14 H new ATOM 0 HG21 THR A 108 8.035 -4.812 5.263 1.00 41.44 H new ATOM 0 HG22 THR A 108 9.387 -5.791 5.879 1.00 41.44 H new ATOM 0 HG23 THR A 108 7.718 -6.176 6.361 1.00 41.44 H new ATOM 1525 N THR A 109 9.292 -3.574 10.387 1.00 35.14 N ATOM 1526 CA THR A 109 10.028 -2.745 11.345 1.00 14.14 C ATOM 1527 C THR A 109 9.636 -2.994 12.805 1.00 31.44 C ATOM 1528 O THR A 109 10.321 -2.493 13.710 1.00 71.55 O ATOM 1529 CB THR A 109 9.896 -1.267 10.955 1.00 21.25 C ATOM 1530 OG1 THR A 109 8.546 -0.882 10.824 1.00 65.14 O ATOM 1531 CG2 THR A 109 10.580 -0.976 9.620 1.00 34.42 C ATOM 0 H THR A 109 8.278 -3.481 10.452 1.00 35.14 H new ATOM 0 HA THR A 109 11.077 -3.037 11.289 1.00 14.14 H new ATOM 0 HB THR A 109 10.373 -0.704 11.757 1.00 21.25 H new ATOM 0 HG1 THR A 109 8.498 0.065 10.577 1.00 65.14 H new ATOM 0 HG21 THR A 109 10.466 0.080 9.376 1.00 34.42 H new ATOM 0 HG22 THR A 109 11.640 -1.219 9.694 1.00 34.42 H new ATOM 0 HG23 THR A 109 10.122 -1.581 8.837 1.00 34.42 H new ATOM 1539 N GLY A 110 8.578 -3.772 13.071 1.00 73.21 N ATOM 1540 CA GLY A 110 8.166 -4.055 14.429 1.00 60.22 C ATOM 1541 C GLY A 110 7.461 -2.879 15.088 1.00 24.44 C ATOM 1542 O GLY A 110 7.469 -2.817 16.319 1.00 33.01 O ATOM 0 H GLY A 110 7.999 -4.211 12.355 1.00 73.21 H new ATOM 0 HA2 GLY A 110 7.501 -4.918 14.430 1.00 60.22 H new ATOM 0 HA3 GLY A 110 9.041 -4.326 15.020 1.00 60.22 H new ATOM 1546 N VAL A 111 6.887 -1.933 14.336 1.00 3.45 N ATOM 1547 CA VAL A 111 6.175 -0.784 14.884 1.00 44.20 C ATOM 1548 C VAL A 111 4.939 -0.455 14.036 1.00 43.35 C ATOM 1549 O VAL A 111 4.927 -0.745 12.842 1.00 31.42 O ATOM 1550 CB VAL A 111 7.140 0.410 14.949 1.00 43.33 C ATOM 1551 CG1 VAL A 111 8.208 0.198 16.028 1.00 63.44 C ATOM 1552 CG2 VAL A 111 7.868 0.712 13.633 1.00 2.34 C ATOM 0 H VAL A 111 6.907 -1.949 13.316 1.00 3.45 H new ATOM 0 HA VAL A 111 5.822 -1.015 15.889 1.00 44.20 H new ATOM 0 HB VAL A 111 6.498 1.259 15.181 1.00 43.33 H new ATOM 0 HG11 VAL A 111 8.877 1.058 16.052 1.00 63.44 H new ATOM 0 HG12 VAL A 111 7.727 0.086 16.999 1.00 63.44 H new ATOM 0 HG13 VAL A 111 8.781 -0.701 15.801 1.00 63.44 H new ATOM 0 HG21 VAL A 111 8.528 1.569 13.770 1.00 2.34 H new ATOM 0 HG22 VAL A 111 8.457 -0.155 13.336 1.00 2.34 H new ATOM 0 HG23 VAL A 111 7.137 0.938 12.856 1.00 2.34 H new ATOM 1562 N VAL A 112 3.912 0.157 14.633 1.00 30.40 N ATOM 1563 CA VAL A 112 2.668 0.566 13.980 1.00 62.41 C ATOM 1564 C VAL A 112 2.491 2.059 14.268 1.00 70.14 C ATOM 1565 O VAL A 112 2.485 2.438 15.441 1.00 73.33 O ATOM 1566 CB VAL A 112 1.476 -0.242 14.534 1.00 33.04 C ATOM 1567 CG1 VAL A 112 0.160 0.100 13.822 1.00 62.21 C ATOM 1568 CG2 VAL A 112 1.705 -1.748 14.410 1.00 75.33 C ATOM 0 H VAL A 112 3.927 0.390 15.626 1.00 30.40 H new ATOM 0 HA VAL A 112 2.709 0.380 12.907 1.00 62.41 H new ATOM 0 HB VAL A 112 1.400 0.036 15.585 1.00 33.04 H new ATOM 0 HG11 VAL A 112 -0.649 -0.494 14.247 1.00 62.21 H new ATOM 0 HG12 VAL A 112 -0.060 1.159 13.953 1.00 62.21 H new ATOM 0 HG13 VAL A 112 0.253 -0.122 12.759 1.00 62.21 H new ATOM 0 HG21 VAL A 112 0.843 -2.281 14.811 1.00 75.33 H new ATOM 0 HG22 VAL A 112 1.838 -2.011 13.360 1.00 75.33 H new ATOM 0 HG23 VAL A 112 2.597 -2.028 14.970 1.00 75.33 H new ATOM 1578 N ASN A 113 2.334 2.896 13.235 1.00 51.41 N ATOM 1579 CA ASN A 113 2.147 4.342 13.380 1.00 70.10 C ATOM 1580 C ASN A 113 0.838 4.741 12.708 1.00 33.34 C ATOM 1581 O ASN A 113 0.728 4.673 11.485 1.00 64.44 O ATOM 1582 CB ASN A 113 3.354 5.141 12.838 1.00 40.05 C ATOM 1583 CG ASN A 113 4.429 5.396 13.893 1.00 11.33 C ATOM 1584 OD1 ASN A 113 4.304 4.989 15.042 1.00 62.34 O ATOM 1585 ND2 ASN A 113 5.493 6.108 13.570 1.00 32.22 N ATOM 0 H ASN A 113 2.333 2.583 12.264 1.00 51.41 H new ATOM 0 HA ASN A 113 2.088 4.590 14.440 1.00 70.10 H new ATOM 0 HB2 ASN A 113 3.796 4.598 12.003 1.00 40.05 H new ATOM 0 HB3 ASN A 113 3.003 6.096 12.447 1.00 40.05 H new ATOM 0 HD21 ASN A 113 6.201 6.315 14.274 1.00 32.22 H new ATOM 0 HD22 ASN A 113 5.607 6.451 12.616 1.00 32.22 H new ATOM 1592 N GLN A 114 -0.157 5.150 13.500 1.00 74.22 N ATOM 1593 CA GLN A 114 -1.477 5.564 13.023 1.00 10.45 C ATOM 1594 C GLN A 114 -1.430 6.596 11.880 1.00 64.22 C ATOM 1595 O GLN A 114 -2.016 6.298 10.835 1.00 11.02 O ATOM 1596 CB GLN A 114 -2.360 6.061 14.182 1.00 52.35 C ATOM 1597 CG GLN A 114 -2.745 4.944 15.152 1.00 32.42 C ATOM 1598 CD GLN A 114 -3.721 5.427 16.221 1.00 13.45 C ATOM 1599 OE1 GLN A 114 -3.346 6.135 17.155 1.00 24.32 O ATOM 1600 NE2 GLN A 114 -4.982 5.042 16.138 1.00 21.50 N ATOM 0 H GLN A 114 -0.064 5.203 14.514 1.00 74.22 H new ATOM 0 HA GLN A 114 -1.930 4.668 12.598 1.00 10.45 H new ATOM 0 HB2 GLN A 114 -1.831 6.843 14.727 1.00 52.35 H new ATOM 0 HB3 GLN A 114 -3.265 6.512 13.776 1.00 52.35 H new ATOM 0 HG2 GLN A 114 -3.194 4.120 14.597 1.00 32.42 H new ATOM 0 HG3 GLN A 114 -1.847 4.554 15.631 1.00 32.42 H new ATOM 0 HE21 GLN A 114 -5.286 4.455 15.361 1.00 21.50 H new ATOM 0 HE22 GLN A 114 -5.652 5.332 16.851 1.00 21.50 H new ATOM 1609 N PRO A 115 -0.760 7.765 12.000 1.00 62.41 N ATOM 1610 CA PRO A 115 -0.726 8.750 10.920 1.00 42.41 C ATOM 1611 C PRO A 115 -0.003 8.231 9.679 1.00 63.22 C ATOM 1612 O PRO A 115 -0.387 8.558 8.555 1.00 15.44 O ATOM 1613 CB PRO A 115 -0.001 9.975 11.479 1.00 32.45 C ATOM 1614 CG PRO A 115 0.809 9.440 12.655 1.00 41.43 C ATOM 1615 CD PRO A 115 -0.016 8.258 13.153 1.00 24.30 C ATOM 0 HA PRO A 115 -1.741 8.983 10.600 1.00 42.41 H new ATOM 0 HB2 PRO A 115 0.644 10.431 10.728 1.00 32.45 H new ATOM 0 HB3 PRO A 115 -0.707 10.741 11.800 1.00 32.45 H new ATOM 0 HG2 PRO A 115 1.807 9.130 12.346 1.00 41.43 H new ATOM 0 HG3 PRO A 115 0.936 10.195 13.431 1.00 41.43 H new ATOM 0 HD2 PRO A 115 0.628 7.479 13.563 1.00 24.30 H new ATOM 0 HD3 PRO A 115 -0.693 8.564 13.951 1.00 24.30 H new ATOM 1623 N PHE A 116 1.021 7.401 9.880 1.00 74.10 N ATOM 1624 CA PHE A 116 1.808 6.830 8.805 1.00 1.33 C ATOM 1625 C PHE A 116 0.942 5.927 7.933 1.00 13.54 C ATOM 1626 O PHE A 116 1.102 5.890 6.714 1.00 3.42 O ATOM 1627 CB PHE A 116 2.982 6.071 9.411 1.00 13.33 C ATOM 1628 CG PHE A 116 4.073 5.790 8.418 1.00 71.43 C ATOM 1629 CD1 PHE A 116 4.284 4.482 7.948 1.00 42.01 C ATOM 1630 CD2 PHE A 116 4.917 6.838 8.010 1.00 34.42 C ATOM 1631 CE1 PHE A 116 5.389 4.222 7.124 1.00 20.24 C ATOM 1632 CE2 PHE A 116 6.007 6.575 7.172 1.00 53.32 C ATOM 1633 CZ PHE A 116 6.262 5.261 6.753 1.00 1.12 C ATOM 0 H PHE A 116 1.325 7.107 10.808 1.00 74.10 H new ATOM 0 HA PHE A 116 2.194 7.620 8.161 1.00 1.33 H new ATOM 0 HB2 PHE A 116 3.392 6.648 10.240 1.00 13.33 H new ATOM 0 HB3 PHE A 116 2.624 5.129 9.825 1.00 13.33 H new ATOM 0 HD1 PHE A 116 3.604 3.688 8.218 1.00 42.01 H new ATOM 0 HD2 PHE A 116 4.724 7.847 8.344 1.00 34.42 H new ATOM 0 HE1 PHE A 116 5.571 3.217 6.772 1.00 20.24 H new ATOM 0 HE2 PHE A 116 6.649 7.381 6.849 1.00 53.32 H new ATOM 0 HZ PHE A 116 7.129 5.047 6.145 1.00 1.12 H new ATOM 1643 N ILE A 117 0.048 5.164 8.561 1.00 24.51 N ATOM 1644 CA ILE A 117 -0.877 4.283 7.868 1.00 14.04 C ATOM 1645 C ILE A 117 -1.977 5.169 7.261 1.00 74.11 C ATOM 1646 O ILE A 117 -2.360 4.975 6.107 1.00 20.24 O ATOM 1647 CB ILE A 117 -1.414 3.209 8.848 1.00 62.42 C ATOM 1648 CG1 ILE A 117 -0.258 2.282 9.298 1.00 75.24 C ATOM 1649 CG2 ILE A 117 -2.515 2.357 8.188 1.00 2.44 C ATOM 1650 CD1 ILE A 117 -0.577 1.426 10.526 1.00 53.04 C ATOM 0 H ILE A 117 -0.051 5.144 9.576 1.00 24.51 H new ATOM 0 HA ILE A 117 -0.396 3.730 7.061 1.00 14.04 H new ATOM 0 HB ILE A 117 -1.838 3.723 9.711 1.00 62.42 H new ATOM 0 HG12 ILE A 117 0.007 1.624 8.470 1.00 75.24 H new ATOM 0 HG13 ILE A 117 0.619 2.893 9.513 1.00 75.24 H new ATOM 0 HG21 ILE A 117 -2.873 1.612 8.898 1.00 2.44 H new ATOM 0 HG22 ILE A 117 -3.342 3.000 7.889 1.00 2.44 H new ATOM 0 HG23 ILE A 117 -2.109 1.855 7.310 1.00 2.44 H new ATOM 0 HD11 ILE A 117 0.286 0.807 10.772 1.00 53.04 H new ATOM 0 HD12 ILE A 117 -0.812 2.074 11.370 1.00 53.04 H new ATOM 0 HD13 ILE A 117 -1.433 0.786 10.311 1.00 53.04 H new ATOM 1662 N ASN A 118 -2.453 6.172 8.013 1.00 42.35 N ATOM 1663 CA ASN A 118 -3.512 7.083 7.590 1.00 74.25 C ATOM 1664 C ASN A 118 -3.211 7.825 6.290 1.00 53.24 C ATOM 1665 O ASN A 118 -4.121 8.081 5.503 1.00 25.02 O ATOM 1666 CB ASN A 118 -3.884 8.079 8.690 1.00 53.31 C ATOM 1667 CG ASN A 118 -5.171 8.814 8.328 1.00 32.24 C ATOM 1668 OD1 ASN A 118 -6.189 8.205 8.004 1.00 11.24 O ATOM 1669 ND2 ASN A 118 -5.179 10.129 8.399 1.00 23.20 N ATOM 0 H ASN A 118 -2.102 6.372 8.950 1.00 42.35 H new ATOM 0 HA ASN A 118 -4.368 6.437 7.392 1.00 74.25 H new ATOM 0 HB2 ASN A 118 -4.011 7.554 9.637 1.00 53.31 H new ATOM 0 HB3 ASN A 118 -3.075 8.796 8.829 1.00 53.31 H new ATOM 0 HD21 ASN A 118 -6.032 10.646 8.185 1.00 23.20 H new ATOM 0 HD22 ASN A 118 -4.332 10.630 8.668 1.00 23.20 H new ATOM 1676 N GLU A 119 -1.958 8.198 6.028 1.00 33.20 N ATOM 1677 CA GLU A 119 -1.624 8.899 4.791 1.00 50.32 C ATOM 1678 C GLU A 119 -1.804 7.983 3.570 1.00 71.33 C ATOM 1679 O GLU A 119 -2.096 8.463 2.475 1.00 74.11 O ATOM 1680 CB GLU A 119 -0.227 9.516 4.891 1.00 4.44 C ATOM 1681 CG GLU A 119 0.883 8.537 4.510 1.00 22.23 C ATOM 1682 CD GLU A 119 2.290 9.077 4.748 1.00 3.11 C ATOM 1683 OE1 GLU A 119 2.473 10.266 5.121 1.00 41.10 O ATOM 1684 OE2 GLU A 119 3.243 8.317 4.470 1.00 22.30 O ATOM 0 H GLU A 119 -1.167 8.028 6.649 1.00 33.20 H new ATOM 0 HA GLU A 119 -2.320 9.725 4.646 1.00 50.32 H new ATOM 0 HB2 GLU A 119 -0.173 10.389 4.241 1.00 4.44 H new ATOM 0 HB3 GLU A 119 -0.062 9.866 5.910 1.00 4.44 H new ATOM 0 HG2 GLU A 119 0.755 7.618 5.081 1.00 22.23 H new ATOM 0 HG3 GLU A 119 0.778 8.275 3.457 1.00 22.23 H new ATOM 1691 N ILE A 120 -1.569 6.678 3.729 1.00 24.41 N ATOM 1692 CA ILE A 120 -1.722 5.696 2.664 1.00 31.24 C ATOM 1693 C ILE A 120 -3.212 5.434 2.488 1.00 32.14 C ATOM 1694 O ILE A 120 -3.708 5.421 1.361 1.00 43.41 O ATOM 1695 CB ILE A 120 -0.944 4.402 3.006 1.00 64.11 C ATOM 1696 CG1 ILE A 120 0.579 4.658 3.017 1.00 1.45 C ATOM 1697 CG2 ILE A 120 -1.311 3.221 2.083 1.00 64.42 C ATOM 1698 CD1 ILE A 120 1.220 4.863 1.637 1.00 55.13 C ATOM 0 H ILE A 120 -1.263 6.273 4.614 1.00 24.41 H new ATOM 0 HA ILE A 120 -1.307 6.070 1.728 1.00 31.24 H new ATOM 0 HB ILE A 120 -1.248 4.110 4.011 1.00 64.11 H new ATOM 0 HG12 ILE A 120 0.778 5.540 3.626 1.00 1.45 H new ATOM 0 HG13 ILE A 120 1.069 3.816 3.505 1.00 1.45 H new ATOM 0 HG21 ILE A 120 -0.734 2.342 2.370 1.00 64.42 H new ATOM 0 HG22 ILE A 120 -2.375 3.003 2.176 1.00 64.42 H new ATOM 0 HG23 ILE A 120 -1.083 3.482 1.050 1.00 64.42 H new ATOM 0 HD11 ILE A 120 2.290 5.035 1.755 1.00 55.13 H new ATOM 0 HD12 ILE A 120 1.060 3.974 1.026 1.00 55.13 H new ATOM 0 HD13 ILE A 120 0.765 5.725 1.149 1.00 55.13 H new ATOM 1710 N THR A 121 -3.938 5.237 3.593 1.00 45.34 N ATOM 1711 CA THR A 121 -5.361 4.953 3.506 1.00 72.44 C ATOM 1712 C THR A 121 -6.125 6.116 2.876 1.00 53.44 C ATOM 1713 O THR A 121 -7.026 5.860 2.074 1.00 4.23 O ATOM 1714 CB THR A 121 -5.935 4.484 4.852 1.00 10.33 C ATOM 1715 OG1 THR A 121 -5.743 5.430 5.873 1.00 33.00 O ATOM 1716 CG2 THR A 121 -5.265 3.180 5.300 1.00 4.34 C ATOM 0 H THR A 121 -3.565 5.270 4.542 1.00 45.34 H new ATOM 0 HA THR A 121 -5.497 4.110 2.829 1.00 72.44 H new ATOM 0 HB THR A 121 -7.003 4.340 4.691 1.00 10.33 H new ATOM 0 HG1 THR A 121 -5.303 6.224 5.504 1.00 33.00 H new ATOM 0 HG21 THR A 121 -5.685 2.864 6.255 1.00 4.34 H new ATOM 0 HG22 THR A 121 -5.440 2.406 4.553 1.00 4.34 H new ATOM 0 HG23 THR A 121 -4.193 3.341 5.411 1.00 4.34 H new ATOM 1724 N GLN A 122 -5.715 7.363 3.149 1.00 21.13 N ATOM 1725 CA GLN A 122 -6.347 8.560 2.610 1.00 33.22 C ATOM 1726 C GLN A 122 -6.350 8.563 1.081 1.00 24.34 C ATOM 1727 O GLN A 122 -7.318 9.024 0.472 1.00 31.21 O ATOM 1728 CB GLN A 122 -5.631 9.830 3.101 1.00 14.25 C ATOM 1729 CG GLN A 122 -6.160 10.355 4.441 1.00 74.11 C ATOM 1730 CD GLN A 122 -5.272 11.478 4.953 1.00 22.22 C ATOM 1731 OE1 GLN A 122 -5.577 12.660 4.808 1.00 42.32 O ATOM 1732 NE2 GLN A 122 -4.151 11.137 5.555 1.00 42.01 N ATOM 0 H GLN A 122 -4.923 7.564 3.760 1.00 21.13 H new ATOM 0 HA GLN A 122 -7.377 8.553 2.967 1.00 33.22 H new ATOM 0 HB2 GLN A 122 -4.565 9.622 3.197 1.00 14.25 H new ATOM 0 HB3 GLN A 122 -5.736 10.611 2.348 1.00 14.25 H new ATOM 0 HG2 GLN A 122 -7.182 10.716 4.321 1.00 74.11 H new ATOM 0 HG3 GLN A 122 -6.191 9.545 5.170 1.00 74.11 H new ATOM 0 HE21 GLN A 122 -3.912 10.152 5.668 1.00 42.01 H new ATOM 0 HE22 GLN A 122 -3.522 11.858 5.908 1.00 42.01 H new ATOM 1741 N LEU A 123 -5.267 8.085 0.460 1.00 23.34 N ATOM 1742 CA LEU A 123 -5.144 8.038 -0.991 1.00 44.04 C ATOM 1743 C LEU A 123 -6.198 7.113 -1.594 1.00 31.54 C ATOM 1744 O LEU A 123 -6.670 7.385 -2.696 1.00 13.14 O ATOM 1745 CB LEU A 123 -3.739 7.556 -1.401 1.00 10.23 C ATOM 1746 CG LEU A 123 -2.607 8.571 -1.158 1.00 60.25 C ATOM 1747 CD1 LEU A 123 -1.247 7.870 -1.266 1.00 60.30 C ATOM 1748 CD2 LEU A 123 -2.665 9.723 -2.168 1.00 73.32 C ATOM 0 H LEU A 123 -4.453 7.721 0.955 1.00 23.34 H new ATOM 0 HA LEU A 123 -5.300 9.047 -1.372 1.00 44.04 H new ATOM 0 HB2 LEU A 123 -3.511 6.642 -0.853 1.00 10.23 H new ATOM 0 HB3 LEU A 123 -3.754 7.298 -2.460 1.00 10.23 H new ATOM 0 HG LEU A 123 -2.735 8.983 -0.157 1.00 60.25 H new ATOM 0 HD11 LEU A 123 -0.450 8.593 -1.093 1.00 60.30 H new ATOM 0 HD12 LEU A 123 -1.186 7.078 -0.520 1.00 60.30 H new ATOM 0 HD13 LEU A 123 -1.137 7.440 -2.262 1.00 60.30 H new ATOM 0 HD21 LEU A 123 -1.853 10.422 -1.969 1.00 73.32 H new ATOM 0 HD22 LEU A 123 -2.564 9.327 -3.178 1.00 73.32 H new ATOM 0 HD23 LEU A 123 -3.620 10.240 -2.075 1.00 73.32 H new ATOM 1760 N VAL A 124 -6.562 6.022 -0.915 1.00 73.11 N ATOM 1761 CA VAL A 124 -7.554 5.083 -1.428 1.00 13.45 C ATOM 1762 C VAL A 124 -8.919 5.774 -1.517 1.00 73.41 C ATOM 1763 O VAL A 124 -9.519 5.781 -2.593 1.00 75.45 O ATOM 1764 CB VAL A 124 -7.629 3.831 -0.533 1.00 40.21 C ATOM 1765 CG1 VAL A 124 -8.557 2.752 -1.106 1.00 72.45 C ATOM 1766 CG2 VAL A 124 -6.257 3.176 -0.291 1.00 33.25 C ATOM 0 H VAL A 124 -6.180 5.769 -0.004 1.00 73.11 H new ATOM 0 HA VAL A 124 -7.258 4.761 -2.426 1.00 13.45 H new ATOM 0 HB VAL A 124 -8.026 4.205 0.411 1.00 40.21 H new ATOM 0 HG11 VAL A 124 -8.573 1.892 -0.436 1.00 72.45 H new ATOM 0 HG12 VAL A 124 -9.565 3.154 -1.204 1.00 72.45 H new ATOM 0 HG13 VAL A 124 -8.193 2.442 -2.086 1.00 72.45 H new ATOM 0 HG21 VAL A 124 -6.379 2.300 0.346 1.00 33.25 H new ATOM 0 HG22 VAL A 124 -5.825 2.873 -1.245 1.00 33.25 H new ATOM 0 HG23 VAL A 124 -5.594 3.890 0.197 1.00 33.25 H new ATOM 1776 N SER A 125 -9.380 6.399 -0.431 1.00 44.31 N ATOM 1777 CA SER A 125 -10.669 7.080 -0.388 1.00 14.23 C ATOM 1778 C SER A 125 -10.724 8.178 -1.444 1.00 44.45 C ATOM 1779 O SER A 125 -11.618 8.170 -2.291 1.00 44.12 O ATOM 1780 CB SER A 125 -10.932 7.667 1.013 1.00 35.43 C ATOM 1781 OG SER A 125 -9.846 7.484 1.909 1.00 60.02 O ATOM 0 H SER A 125 -8.863 6.445 0.447 1.00 44.31 H new ATOM 0 HA SER A 125 -11.449 6.350 -0.603 1.00 14.23 H new ATOM 0 HB2 SER A 125 -11.142 8.732 0.920 1.00 35.43 H new ATOM 0 HB3 SER A 125 -11.824 7.202 1.433 1.00 35.43 H new ATOM 0 HG SER A 125 -10.070 7.877 2.779 1.00 60.02 H new ATOM 1787 N MET A 126 -9.721 9.062 -1.443 1.00 40.35 N ATOM 1788 CA MET A 126 -9.612 10.185 -2.361 1.00 15.11 C ATOM 1789 C MET A 126 -9.682 9.746 -3.825 1.00 71.42 C ATOM 1790 O MET A 126 -10.305 10.433 -4.637 1.00 34.43 O ATOM 1791 CB MET A 126 -8.305 10.934 -2.074 1.00 21.05 C ATOM 1792 CG MET A 126 -8.196 12.229 -2.884 1.00 41.35 C ATOM 1793 SD MET A 126 -6.620 13.102 -2.717 1.00 0.24 S ATOM 1794 CE MET A 126 -5.514 11.985 -3.620 1.00 60.25 C ATOM 0 H MET A 126 -8.945 9.009 -0.783 1.00 40.35 H new ATOM 0 HA MET A 126 -10.462 10.848 -2.200 1.00 15.11 H new ATOM 0 HB2 MET A 126 -8.246 11.166 -1.011 1.00 21.05 H new ATOM 0 HB3 MET A 126 -7.458 10.288 -2.307 1.00 21.05 H new ATOM 0 HG2 MET A 126 -8.356 11.996 -3.937 1.00 41.35 H new ATOM 0 HG3 MET A 126 -9.000 12.899 -2.580 1.00 41.35 H new ATOM 0 HE1 MET A 126 -4.508 12.404 -3.637 1.00 60.25 H new ATOM 0 HE2 MET A 126 -5.494 11.014 -3.125 1.00 60.25 H new ATOM 0 HE3 MET A 126 -5.874 11.864 -4.642 1.00 60.25 H new ATOM 1804 N PHE A 127 -9.040 8.629 -4.172 1.00 53.43 N ATOM 1805 CA PHE A 127 -9.027 8.132 -5.542 1.00 71.13 C ATOM 1806 C PHE A 127 -10.362 7.487 -5.916 1.00 63.02 C ATOM 1807 O PHE A 127 -10.821 7.662 -7.043 1.00 31.44 O ATOM 1808 CB PHE A 127 -7.847 7.168 -5.674 1.00 23.43 C ATOM 1809 CG PHE A 127 -7.445 6.739 -7.073 1.00 3.31 C ATOM 1810 CD1 PHE A 127 -6.280 7.282 -7.651 1.00 61.51 C ATOM 1811 CD2 PHE A 127 -8.170 5.751 -7.768 1.00 44.00 C ATOM 1812 CE1 PHE A 127 -5.824 6.816 -8.894 1.00 41.44 C ATOM 1813 CE2 PHE A 127 -7.702 5.272 -9.003 1.00 61.55 C ATOM 1814 CZ PHE A 127 -6.519 5.792 -9.555 1.00 71.35 C ATOM 0 H PHE A 127 -8.519 8.050 -3.514 1.00 53.43 H new ATOM 0 HA PHE A 127 -8.899 8.954 -6.246 1.00 71.13 H new ATOM 0 HB2 PHE A 127 -6.980 7.631 -5.202 1.00 23.43 H new ATOM 0 HB3 PHE A 127 -8.080 6.271 -5.101 1.00 23.43 H new ATOM 0 HD1 PHE A 127 -5.736 8.060 -7.136 1.00 61.51 H new ATOM 0 HD2 PHE A 127 -9.087 5.361 -7.351 1.00 44.00 H new ATOM 0 HE1 PHE A 127 -4.939 7.245 -9.341 1.00 41.44 H new ATOM 0 HE2 PHE A 127 -8.251 4.504 -9.528 1.00 61.55 H new ATOM 0 HZ PHE A 127 -6.144 5.403 -10.490 1.00 71.35 H new ATOM 1824 N ALA A 128 -10.999 6.758 -4.995 1.00 65.44 N ATOM 1825 CA ALA A 128 -12.268 6.094 -5.263 1.00 23.33 C ATOM 1826 C ALA A 128 -13.449 7.067 -5.342 1.00 30.30 C ATOM 1827 O ALA A 128 -14.303 6.913 -6.208 1.00 1.03 O ATOM 1828 CB ALA A 128 -12.536 5.043 -4.188 1.00 23.14 C ATOM 0 H ALA A 128 -10.648 6.615 -4.048 1.00 65.44 H new ATOM 0 HA ALA A 128 -12.180 5.623 -6.242 1.00 23.33 H new ATOM 0 HB1 ALA A 128 -13.486 4.548 -4.391 1.00 23.14 H new ATOM 0 HB2 ALA A 128 -11.734 4.305 -4.193 1.00 23.14 H new ATOM 0 HB3 ALA A 128 -12.580 5.525 -3.211 1.00 23.14 H new ATOM 1834 N GLN A 129 -13.518 8.066 -4.456 1.00 32.42 N ATOM 1835 CA GLN A 129 -14.609 9.049 -4.434 1.00 11.15 C ATOM 1836 C GLN A 129 -14.612 9.985 -5.647 1.00 14.34 C ATOM 1837 O GLN A 129 -15.633 10.598 -5.974 1.00 22.42 O ATOM 1838 CB GLN A 129 -14.544 9.847 -3.129 1.00 14.12 C ATOM 1839 CG GLN A 129 -13.342 10.789 -2.984 1.00 31.51 C ATOM 1840 CD GLN A 129 -13.147 11.271 -1.546 1.00 4.44 C ATOM 1841 OE1 GLN A 129 -12.866 10.497 -0.631 1.00 54.42 O ATOM 1842 NE2 GLN A 129 -13.258 12.569 -1.318 1.00 12.31 N ATOM 0 H GLN A 129 -12.817 8.217 -3.731 1.00 32.42 H new ATOM 0 HA GLN A 129 -15.546 8.495 -4.489 1.00 11.15 H new ATOM 0 HB2 GLN A 129 -15.457 10.436 -3.039 1.00 14.12 H new ATOM 0 HB3 GLN A 129 -14.534 9.145 -2.295 1.00 14.12 H new ATOM 0 HG2 GLN A 129 -12.440 10.276 -3.317 1.00 31.51 H new ATOM 0 HG3 GLN A 129 -13.479 11.651 -3.637 1.00 31.51 H new ATOM 0 HE21 GLN A 129 -13.491 13.203 -2.082 1.00 12.31 H new ATOM 0 HE22 GLN A 129 -13.110 12.936 -0.378 1.00 12.31 H new ATOM 1851 N ALA A 130 -13.451 10.097 -6.286 1.00 41.20 N ATOM 1852 CA ALA A 130 -13.135 10.897 -7.474 1.00 23.23 C ATOM 1853 C ALA A 130 -13.363 12.410 -7.306 1.00 31.43 C ATOM 1854 O ALA A 130 -13.256 13.170 -8.271 1.00 73.14 O ATOM 1855 CB ALA A 130 -13.870 10.328 -8.694 1.00 12.32 C ATOM 0 H ALA A 130 -12.631 9.586 -5.959 1.00 41.20 H new ATOM 0 HA ALA A 130 -12.060 10.812 -7.632 1.00 23.23 H new ATOM 0 HB1 ALA A 130 -13.632 10.926 -9.574 1.00 12.32 H new ATOM 0 HB2 ALA A 130 -13.556 9.297 -8.860 1.00 12.32 H new ATOM 0 HB3 ALA A 130 -14.945 10.356 -8.517 1.00 12.32 H new ATOM 1861 N GLY A 131 -13.673 12.866 -6.093 1.00 15.31 N ATOM 1862 CA GLY A 131 -13.905 14.261 -5.787 1.00 62.23 C ATOM 1863 C GLY A 131 -14.539 14.416 -4.417 1.00 73.23 C ATOM 1864 O GLY A 131 -13.820 14.494 -3.419 1.00 24.11 O ATOM 0 H GLY A 131 -13.770 12.254 -5.283 1.00 15.31 H new ATOM 0 HA2 GLY A 131 -12.962 14.806 -5.820 1.00 62.23 H new ATOM 0 HA3 GLY A 131 -14.554 14.701 -6.544 1.00 62.23 H new ATOM 1868 N MET A 132 -15.869 14.416 -4.339 1.00 54.12 N ATOM 1869 CA MET A 132 -16.606 14.591 -3.088 1.00 74.34 C ATOM 1870 C MET A 132 -17.617 13.467 -2.886 1.00 1.35 C ATOM 1871 O MET A 132 -18.150 12.920 -3.853 1.00 15.44 O ATOM 1872 CB MET A 132 -17.323 15.953 -3.110 1.00 32.01 C ATOM 1873 CG MET A 132 -16.333 17.113 -3.265 1.00 13.52 C ATOM 1874 SD MET A 132 -17.080 18.760 -3.335 1.00 63.40 S ATOM 1875 CE MET A 132 -15.555 19.727 -3.432 1.00 71.54 C ATOM 0 H MET A 132 -16.472 14.293 -5.152 1.00 54.12 H new ATOM 0 HA MET A 132 -15.902 14.559 -2.257 1.00 74.34 H new ATOM 0 HB2 MET A 132 -18.039 15.974 -3.931 1.00 32.01 H new ATOM 0 HB3 MET A 132 -17.891 16.080 -2.188 1.00 32.01 H new ATOM 0 HG2 MET A 132 -15.632 17.085 -2.431 1.00 13.52 H new ATOM 0 HG3 MET A 132 -15.753 16.956 -4.174 1.00 13.52 H new ATOM 0 HE1 MET A 132 -15.800 20.788 -3.484 1.00 71.54 H new ATOM 0 HE2 MET A 132 -14.947 19.538 -2.547 1.00 71.54 H new ATOM 0 HE3 MET A 132 -14.998 19.439 -4.323 1.00 71.54 H new ATOM 1885 N ASN A 133 -17.863 13.122 -1.624 1.00 12.55 N ATOM 1886 CA ASN A 133 -18.796 12.097 -1.176 1.00 35.13 C ATOM 1887 C ASN A 133 -19.244 12.443 0.240 1.00 51.02 C ATOM 1888 O ASN A 133 -18.709 13.376 0.849 1.00 65.31 O ATOM 1889 CB ASN A 133 -18.189 10.688 -1.244 1.00 51.45 C ATOM 1890 CG ASN A 133 -17.091 10.428 -0.229 1.00 14.33 C ATOM 1891 OD1 ASN A 133 -16.022 11.017 -0.316 1.00 2.23 O ATOM 1892 ND2 ASN A 133 -17.302 9.525 0.713 1.00 53.22 N ATOM 0 H ASN A 133 -17.388 13.578 -0.845 1.00 12.55 H new ATOM 0 HA ASN A 133 -19.657 12.082 -1.845 1.00 35.13 H new ATOM 0 HB2 ASN A 133 -18.983 9.956 -1.097 1.00 51.45 H new ATOM 0 HB3 ASN A 133 -17.788 10.527 -2.244 1.00 51.45 H new ATOM 0 HD21 ASN A 133 -16.566 9.308 1.385 1.00 53.22 H new ATOM 0 HD22 ASN A 133 -18.201 9.046 0.768 1.00 53.22 H new ATOM 1899 N ASP A 134 -20.259 11.747 0.748 1.00 32.04 N ATOM 1900 CA ASP A 134 -20.796 11.982 2.092 1.00 24.53 C ATOM 1901 C ASP A 134 -19.798 11.513 3.166 1.00 52.15 C ATOM 1902 O ASP A 134 -18.862 10.774 2.855 1.00 3.11 O ATOM 1903 CB ASP A 134 -22.161 11.294 2.204 1.00 61.23 C ATOM 1904 CG ASP A 134 -22.893 11.650 3.496 1.00 14.12 C ATOM 1905 OD1 ASP A 134 -23.546 10.751 4.068 1.00 2.25 O ATOM 1906 OD2 ASP A 134 -22.845 12.826 3.928 1.00 31.33 O ATOM 0 H ASP A 134 -20.735 11.002 0.240 1.00 32.04 H new ATOM 0 HA ASP A 134 -20.941 13.049 2.262 1.00 24.53 H new ATOM 0 HB2 ASP A 134 -22.778 11.577 1.351 1.00 61.23 H new ATOM 0 HB3 ASP A 134 -22.025 10.214 2.154 1.00 61.23 H new ATOM 1911 N VAL A 135 -19.952 11.946 4.419 1.00 44.40 N ATOM 1912 CA VAL A 135 -19.053 11.578 5.516 1.00 30.34 C ATOM 1913 C VAL A 135 -19.657 10.418 6.318 1.00 11.14 C ATOM 1914 O VAL A 135 -20.881 10.320 6.486 1.00 61.04 O ATOM 1915 CB VAL A 135 -18.636 12.841 6.304 1.00 4.52 C ATOM 1916 CG1 VAL A 135 -19.805 13.699 6.794 1.00 42.10 C ATOM 1917 CG2 VAL A 135 -17.720 12.523 7.487 1.00 21.03 C ATOM 0 H VAL A 135 -20.710 12.567 4.704 1.00 44.40 H new ATOM 0 HA VAL A 135 -18.107 11.178 5.152 1.00 30.34 H new ATOM 0 HB VAL A 135 -18.087 13.427 5.567 1.00 4.52 H new ATOM 0 HG11 VAL A 135 -19.420 14.563 7.336 1.00 42.10 H new ATOM 0 HG12 VAL A 135 -20.391 14.038 5.940 1.00 42.10 H new ATOM 0 HG13 VAL A 135 -20.438 13.108 7.456 1.00 42.10 H new ATOM 0 HG21 VAL A 135 -17.459 13.447 8.004 1.00 21.03 H new ATOM 0 HG22 VAL A 135 -18.235 11.854 8.177 1.00 21.03 H new ATOM 0 HG23 VAL A 135 -16.812 12.041 7.125 1.00 21.03 H new ATOM 1927 N SER A 136 -18.799 9.520 6.802 1.00 73.51 N ATOM 1928 CA SER A 136 -19.164 8.334 7.562 1.00 31.23 C ATOM 1929 C SER A 136 -18.081 7.954 8.573 1.00 12.02 C ATOM 1930 O SER A 136 -16.914 7.800 8.192 1.00 3.42 O ATOM 1931 CB SER A 136 -19.386 7.175 6.575 1.00 74.43 C ATOM 1932 OG SER A 136 -18.404 7.131 5.542 1.00 52.21 O ATOM 0 H SER A 136 -17.792 9.606 6.668 1.00 73.51 H new ATOM 0 HA SER A 136 -20.074 8.543 8.124 1.00 31.23 H new ATOM 0 HB2 SER A 136 -19.374 6.232 7.121 1.00 74.43 H new ATOM 0 HB3 SER A 136 -20.375 7.271 6.126 1.00 74.43 H new ATOM 0 HG SER A 136 -18.591 6.377 4.945 1.00 52.21 H new ATOM 1938 N ALA A 137 -18.461 7.837 9.849 1.00 40.40 N ATOM 1939 CA ALA A 137 -17.553 7.441 10.918 1.00 44.45 C ATOM 1940 C ALA A 137 -17.356 5.937 10.809 1.00 4.22 C ATOM 1941 O ALA A 137 -16.240 5.447 11.091 1.00 73.40 O ATOM 1942 CB ALA A 137 -18.135 7.787 12.292 1.00 41.41 C ATOM 0 H ALA A 137 -19.414 8.016 10.166 1.00 40.40 H new ATOM 0 HA ALA A 137 -16.607 7.973 10.819 1.00 44.45 H new ATOM 0 HB1 ALA A 137 -17.437 7.480 13.071 1.00 41.41 H new ATOM 0 HB2 ALA A 137 -18.301 8.862 12.356 1.00 41.41 H new ATOM 0 HB3 ALA A 137 -19.082 7.265 12.428 1.00 41.41 H new TER 1948 ALA A 137