USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=37 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 118 ASN : amide:sc= -0.0686 X(o=-0.069,f=-0.12) USER MOD Set 1.2: A 122 GLN : amide:sc= 0 X(o=-0.069,f=-0.49) USER MOD Set 2.1: A 89 SER OG : rot -110:sc= 0.398 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0.492 USER MOD Set 3.1: A 30 MET CE :methyl -172:sc= -1.17 (180deg=-1.43) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 ASN : amide:sc= -0.126 K(o=0.44,f=-1.8) USER MOD Set 4.2: A 22 SER OG : rot 84:sc= 0.747 USER MOD Set 4.3: A 107 GLN : amide:sc= -0.179 X(o=0.44,f=0.33) USER MOD Set 5.1: A 8 THR OG1 : rot 180:sc= 1.01 USER MOD Set 5.2: A 11 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00558 X(o=-0.0056,f=-0.17) USER MOD Single : A 7 THR OG1 : rot 43:sc= 0.0881 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 28 SER OG : rot -78:sc= 1.24 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.24 K(o=1.2,f=-2.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 54 SER OG : rot 68:sc= 0.568 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 140:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc=-0.00586 USER MOD Single : A 64 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.0197 (180deg=-0.0197) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0.138 K(o=0.14,f=-1.3) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.294 (180deg=-0.347) USER MOD Single : A 75 SER OG : rot 46:sc= 0.804 USER MOD Single : A 76 SER OG : rot 84:sc= 0.297 USER MOD Single : A 83 SER OG : rot 83:sc= 0.331 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.828) USER MOD Single : A 94 THR OG1 : rot -91:sc= 1.23 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 66:sc= 0.216 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0082 USER MOD Single : A 103 ASN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 113 ASN : amide:sc= -0.0485 X(o=-0.048,f=-0.44) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 121 THR OG1 : rot 16:sc= 1.11 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -155:sc= -0.259 (180deg=-0.625) USER MOD Single : A 129 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.0079) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.426 K(o=-0.43,f=-3!) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.690 6.418 4.515 1.00 30.13 N ATOM 2 CA GLY A 1 26.375 6.406 5.162 1.00 44.12 C ATOM 3 C GLY A 1 26.550 6.773 6.623 1.00 11.23 C ATOM 4 O GLY A 1 26.894 5.923 7.447 1.00 34.40 O ATOM 0 H1 GLY A 1 27.585 6.168 3.511 1.00 30.13 H new ATOM 0 H2 GLY A 1 28.107 7.368 4.593 1.00 30.13 H new ATOM 0 H3 GLY A 1 28.312 5.727 4.981 1.00 30.13 H new ATOM 0 HA2 GLY A 1 25.706 7.113 4.672 1.00 44.12 H new ATOM 0 HA3 GLY A 1 25.918 5.420 5.072 1.00 44.12 H new ATOM 8 N SER A 2 26.348 8.050 6.947 1.00 32.35 N ATOM 9 CA SER A 2 26.479 8.590 8.289 1.00 33.13 C ATOM 10 C SER A 2 25.221 8.196 9.072 1.00 40.11 C ATOM 11 O SER A 2 24.251 8.962 9.155 1.00 75.02 O ATOM 12 CB SER A 2 26.728 10.106 8.206 1.00 51.23 C ATOM 13 OG SER A 2 27.646 10.402 7.157 1.00 33.20 O ATOM 0 H SER A 2 26.081 8.753 6.258 1.00 32.35 H new ATOM 0 HA SER A 2 27.336 8.182 8.824 1.00 33.13 H new ATOM 0 HB2 SER A 2 25.786 10.627 8.031 1.00 51.23 H new ATOM 0 HB3 SER A 2 27.122 10.469 9.155 1.00 51.23 H new ATOM 0 HG SER A 2 27.794 11.370 7.115 1.00 33.20 H new ATOM 19 N GLY A 3 25.229 6.978 9.617 1.00 43.10 N ATOM 20 CA GLY A 3 24.116 6.433 10.374 1.00 72.32 C ATOM 21 C GLY A 3 22.889 6.235 9.487 1.00 61.04 C ATOM 22 O GLY A 3 22.962 6.273 8.256 1.00 43.41 O ATOM 0 H GLY A 3 26.021 6.340 9.540 1.00 43.10 H new ATOM 0 HA2 GLY A 3 24.406 5.480 10.816 1.00 72.32 H new ATOM 0 HA3 GLY A 3 23.869 7.104 11.197 1.00 72.32 H new ATOM 26 N ASN A 4 21.748 5.998 10.129 1.00 64.23 N ATOM 27 CA ASN A 4 20.471 5.778 9.468 1.00 14.52 C ATOM 28 C ASN A 4 19.963 7.094 8.879 1.00 13.33 C ATOM 29 O ASN A 4 19.273 7.861 9.561 1.00 33.01 O ATOM 30 CB ASN A 4 19.428 5.221 10.450 1.00 44.11 C ATOM 31 CG ASN A 4 19.567 3.729 10.714 1.00 43.04 C ATOM 32 OD1 ASN A 4 20.620 3.256 11.133 1.00 51.44 O ATOM 33 ND2 ASN A 4 18.511 2.973 10.474 1.00 32.33 N ATOM 0 H ASN A 4 21.688 5.953 11.146 1.00 64.23 H new ATOM 0 HA ASN A 4 20.620 5.048 8.672 1.00 14.52 H new ATOM 0 HB2 ASN A 4 19.511 5.757 11.396 1.00 44.11 H new ATOM 0 HB3 ASN A 4 18.431 5.419 10.057 1.00 44.11 H new ATOM 0 HD21 ASN A 4 18.556 1.967 10.636 1.00 32.33 H new ATOM 0 HD22 ASN A 4 17.650 3.395 10.126 1.00 32.33 H new ATOM 40 N SER A 5 20.311 7.393 7.631 1.00 75.24 N ATOM 41 CA SER A 5 19.871 8.605 6.961 1.00 1.32 C ATOM 42 C SER A 5 18.360 8.522 6.737 1.00 33.40 C ATOM 43 O SER A 5 17.635 9.456 7.076 1.00 12.43 O ATOM 44 CB SER A 5 20.633 8.784 5.641 1.00 63.22 C ATOM 45 OG SER A 5 21.014 10.135 5.498 1.00 14.31 O ATOM 0 H SER A 5 20.908 6.798 7.057 1.00 75.24 H new ATOM 0 HA SER A 5 20.084 9.478 7.578 1.00 1.32 H new ATOM 0 HB2 SER A 5 21.514 8.143 5.628 1.00 63.22 H new ATOM 0 HB3 SER A 5 20.006 8.481 4.803 1.00 63.22 H new ATOM 0 HG SER A 5 21.502 10.250 4.656 1.00 14.31 H new ATOM 51 N HIS A 6 17.884 7.410 6.176 1.00 20.33 N ATOM 52 CA HIS A 6 16.481 7.145 5.884 1.00 34.34 C ATOM 53 C HIS A 6 16.311 5.635 5.716 1.00 64.35 C ATOM 54 O HIS A 6 17.218 4.979 5.197 1.00 53.34 O ATOM 55 CB HIS A 6 16.069 7.893 4.599 1.00 61.23 C ATOM 56 CG HIS A 6 17.073 7.821 3.469 1.00 45.25 C ATOM 57 ND1 HIS A 6 17.917 8.834 3.065 1.00 45.35 N ATOM 58 CD2 HIS A 6 17.319 6.739 2.668 1.00 11.21 C ATOM 59 CE1 HIS A 6 18.646 8.377 2.036 1.00 42.31 C ATOM 60 NE2 HIS A 6 18.325 7.099 1.761 1.00 61.32 N ATOM 0 H HIS A 6 18.494 6.639 5.903 1.00 20.33 H new ATOM 0 HA HIS A 6 15.843 7.496 6.695 1.00 34.34 H new ATOM 0 HB2 HIS A 6 15.120 7.487 4.249 1.00 61.23 H new ATOM 0 HB3 HIS A 6 15.896 8.941 4.846 1.00 61.23 H new ATOM 0 HD2 HIS A 6 16.826 5.780 2.725 1.00 11.21 H new ATOM 0 HE1 HIS A 6 19.387 8.954 1.503 1.00 42.31 H new ATOM 0 HE2 HIS A 6 18.733 6.509 1.036 1.00 61.32 H new ATOM 68 N THR A 7 15.184 5.065 6.134 1.00 42.55 N ATOM 69 CA THR A 7 14.888 3.643 6.018 1.00 71.02 C ATOM 70 C THR A 7 13.386 3.491 5.755 1.00 3.24 C ATOM 71 O THR A 7 12.579 3.689 6.667 1.00 42.41 O ATOM 72 CB THR A 7 15.320 2.866 7.284 1.00 54.04 C ATOM 73 OG1 THR A 7 14.918 3.496 8.484 1.00 24.24 O ATOM 74 CG2 THR A 7 16.830 2.655 7.402 1.00 54.44 C ATOM 0 H THR A 7 14.432 5.595 6.574 1.00 42.55 H new ATOM 0 HA THR A 7 15.455 3.216 5.191 1.00 71.02 H new ATOM 0 HB THR A 7 14.818 1.907 7.157 1.00 54.04 H new ATOM 0 HG1 THR A 7 13.998 3.819 8.391 1.00 24.24 H new ATOM 0 HG21 THR A 7 17.050 2.103 8.316 1.00 54.44 H new ATOM 0 HG22 THR A 7 17.187 2.089 6.541 1.00 54.44 H new ATOM 0 HG23 THR A 7 17.331 3.622 7.433 1.00 54.44 H new ATOM 82 N THR A 8 12.981 3.179 4.521 1.00 42.15 N ATOM 83 CA THR A 8 11.571 2.993 4.192 1.00 1.05 C ATOM 84 C THR A 8 11.407 1.726 3.355 1.00 41.20 C ATOM 85 O THR A 8 12.342 1.335 2.641 1.00 30.21 O ATOM 86 CB THR A 8 10.961 4.215 3.467 1.00 42.11 C ATOM 87 OG1 THR A 8 11.405 4.376 2.133 1.00 62.12 O ATOM 88 CG2 THR A 8 11.160 5.530 4.202 1.00 23.11 C ATOM 0 H THR A 8 13.615 3.050 3.732 1.00 42.15 H new ATOM 0 HA THR A 8 11.022 2.889 5.128 1.00 1.05 H new ATOM 0 HB THR A 8 9.898 3.976 3.454 1.00 42.11 H new ATOM 0 HG1 THR A 8 10.978 5.165 1.739 1.00 62.12 H new ATOM 0 HG21 THR A 8 10.705 6.339 3.631 1.00 23.11 H new ATOM 0 HG22 THR A 8 10.692 5.472 5.185 1.00 23.11 H new ATOM 0 HG23 THR A 8 12.226 5.724 4.319 1.00 23.11 H new ATOM 96 N PRO A 9 10.209 1.117 3.360 1.00 63.21 N ATOM 97 CA PRO A 9 9.907 -0.078 2.585 1.00 65.10 C ATOM 98 C PRO A 9 9.789 0.270 1.091 1.00 15.42 C ATOM 99 O PRO A 9 9.436 -0.585 0.286 1.00 34.04 O ATOM 100 CB PRO A 9 8.608 -0.623 3.185 1.00 10.35 C ATOM 101 CG PRO A 9 7.898 0.644 3.632 1.00 62.54 C ATOM 102 CD PRO A 9 9.049 1.492 4.150 1.00 11.24 C ATOM 0 HA PRO A 9 10.691 -0.833 2.636 1.00 65.10 H new ATOM 0 HB2 PRO A 9 8.024 -1.179 2.452 1.00 10.35 H new ATOM 0 HB3 PRO A 9 8.798 -1.298 4.019 1.00 10.35 H new ATOM 0 HG2 PRO A 9 7.374 1.129 2.809 1.00 62.54 H new ATOM 0 HG3 PRO A 9 7.158 0.444 4.407 1.00 62.54 H new ATOM 0 HD2 PRO A 9 8.830 2.554 4.042 1.00 11.24 H new ATOM 0 HD3 PRO A 9 9.223 1.308 5.210 1.00 11.24 H new ATOM 110 N TRP A 10 10.066 1.520 0.708 1.00 52.11 N ATOM 111 CA TRP A 10 10.029 2.009 -0.658 1.00 30.42 C ATOM 112 C TRP A 10 11.457 2.257 -1.163 1.00 22.31 C ATOM 113 O TRP A 10 11.667 2.337 -2.373 1.00 4.24 O ATOM 114 CB TRP A 10 9.170 3.275 -0.695 1.00 22.41 C ATOM 115 CG TRP A 10 7.831 3.125 -0.038 1.00 3.12 C ATOM 116 CD1 TRP A 10 7.520 3.506 1.223 1.00 24.25 C ATOM 117 CD2 TRP A 10 6.638 2.475 -0.565 1.00 41.24 C ATOM 118 NE1 TRP A 10 6.208 3.174 1.491 1.00 55.45 N ATOM 119 CE2 TRP A 10 5.611 2.541 0.420 1.00 12.04 C ATOM 120 CE3 TRP A 10 6.341 1.784 -1.760 1.00 3.14 C ATOM 121 CZ2 TRP A 10 4.339 1.980 0.215 1.00 45.44 C ATOM 122 CZ3 TRP A 10 5.074 1.209 -1.975 1.00 31.32 C ATOM 123 CH2 TRP A 10 4.073 1.311 -0.993 1.00 31.22 C ATOM 0 H TRP A 10 10.333 2.243 1.376 1.00 52.11 H new ATOM 0 HA TRP A 10 9.582 1.271 -1.324 1.00 30.42 H new ATOM 0 HB2 TRP A 10 9.713 4.084 -0.207 1.00 22.41 H new ATOM 0 HB3 TRP A 10 9.022 3.571 -1.734 1.00 22.41 H new ATOM 0 HD1 TRP A 10 8.194 3.994 1.912 1.00 24.25 H new ATOM 0 HE1 TRP A 10 5.737 3.372 2.374 1.00 55.45 H new ATOM 0 HE3 TRP A 10 7.100 1.695 -2.523 1.00 3.14 H new ATOM 0 HZ2 TRP A 10 3.576 2.062 0.975 1.00 45.44 H new ATOM 0 HZ3 TRP A 10 4.870 0.687 -2.898 1.00 31.32 H new ATOM 0 HH2 TRP A 10 3.100 0.876 -1.166 1.00 31.22 H new ATOM 134 N THR A 11 12.447 2.362 -0.265 1.00 73.40 N ATOM 135 CA THR A 11 13.848 2.593 -0.614 1.00 40.30 C ATOM 136 C THR A 11 14.600 1.266 -0.827 1.00 71.10 C ATOM 137 O THR A 11 15.589 1.228 -1.567 1.00 1.21 O ATOM 138 CB THR A 11 14.495 3.447 0.497 1.00 15.10 C ATOM 139 OG1 THR A 11 13.753 4.637 0.695 1.00 35.43 O ATOM 140 CG2 THR A 11 15.926 3.877 0.161 1.00 25.05 C ATOM 0 H THR A 11 12.289 2.287 0.740 1.00 73.40 H new ATOM 0 HA THR A 11 13.906 3.131 -1.560 1.00 40.30 H new ATOM 0 HB THR A 11 14.505 2.816 1.386 1.00 15.10 H new ATOM 0 HG1 THR A 11 12.944 4.436 1.211 1.00 35.43 H new ATOM 0 HG21 THR A 11 16.328 4.474 0.979 1.00 25.05 H new ATOM 0 HG22 THR A 11 16.547 2.993 0.018 1.00 25.05 H new ATOM 0 HG23 THR A 11 15.922 4.470 -0.754 1.00 25.05 H new ATOM 148 N ASN A 12 14.140 0.163 -0.221 1.00 63.51 N ATOM 149 CA ASN A 12 14.783 -1.145 -0.347 1.00 45.43 C ATOM 150 C ASN A 12 13.807 -2.149 -0.943 1.00 74.05 C ATOM 151 O ASN A 12 12.706 -2.287 -0.412 1.00 54.41 O ATOM 152 CB ASN A 12 15.267 -1.662 1.005 1.00 72.40 C ATOM 153 CG ASN A 12 16.550 -0.975 1.431 1.00 51.12 C ATOM 154 OD1 ASN A 12 16.497 0.052 2.101 1.00 43.04 O ATOM 155 ND2 ASN A 12 17.699 -1.498 1.039 1.00 70.34 N ATOM 0 H ASN A 12 13.309 0.156 0.371 1.00 63.51 H new ATOM 0 HA ASN A 12 15.646 -1.027 -1.003 1.00 45.43 H new ATOM 0 HB2 ASN A 12 14.496 -1.496 1.757 1.00 72.40 H new ATOM 0 HB3 ASN A 12 15.430 -2.738 0.948 1.00 72.40 H new ATOM 0 HD21 ASN A 12 18.578 -1.047 1.293 1.00 70.34 H new ATOM 0 HD22 ASN A 12 17.707 -2.353 0.483 1.00 70.34 H new ATOM 162 N PRO A 13 14.188 -2.884 -2.001 1.00 34.34 N ATOM 163 CA PRO A 13 13.313 -3.859 -2.643 1.00 32.24 C ATOM 164 C PRO A 13 13.102 -5.110 -1.785 1.00 61.32 C ATOM 165 O PRO A 13 12.062 -5.759 -1.908 1.00 22.31 O ATOM 166 CB PRO A 13 13.988 -4.182 -3.976 1.00 74.10 C ATOM 167 CG PRO A 13 15.470 -3.968 -3.674 1.00 20.43 C ATOM 168 CD PRO A 13 15.466 -2.808 -2.690 1.00 20.41 C ATOM 0 HA PRO A 13 12.309 -3.459 -2.786 1.00 32.24 H new ATOM 0 HB2 PRO A 13 13.785 -5.205 -4.293 1.00 74.10 H new ATOM 0 HB3 PRO A 13 13.640 -3.526 -4.774 1.00 74.10 H new ATOM 0 HG2 PRO A 13 15.925 -4.860 -3.242 1.00 20.43 H new ATOM 0 HG3 PRO A 13 16.033 -3.728 -4.576 1.00 20.43 H new ATOM 0 HD2 PRO A 13 16.295 -2.887 -1.987 1.00 20.41 H new ATOM 0 HD3 PRO A 13 15.576 -1.855 -3.207 1.00 20.41 H new ATOM 176 N GLY A 14 14.058 -5.459 -0.917 1.00 62.33 N ATOM 177 CA GLY A 14 13.928 -6.622 -0.051 1.00 70.14 C ATOM 178 C GLY A 14 12.876 -6.327 1.011 1.00 43.13 C ATOM 179 O GLY A 14 11.952 -7.111 1.218 1.00 12.23 O ATOM 0 H GLY A 14 14.932 -4.946 -0.800 1.00 62.33 H new ATOM 0 HA2 GLY A 14 13.641 -7.497 -0.634 1.00 70.14 H new ATOM 0 HA3 GLY A 14 14.884 -6.852 0.419 1.00 70.14 H new ATOM 183 N LEU A 15 12.989 -5.149 1.630 1.00 31.50 N ATOM 184 CA LEU A 15 12.068 -4.689 2.660 1.00 21.23 C ATOM 185 C LEU A 15 10.665 -4.558 2.048 1.00 44.03 C ATOM 186 O LEU A 15 9.672 -4.931 2.673 1.00 53.23 O ATOM 187 CB LEU A 15 12.587 -3.358 3.231 1.00 12.12 C ATOM 188 CG LEU A 15 12.298 -3.140 4.728 1.00 73.35 C ATOM 189 CD1 LEU A 15 12.745 -1.719 5.094 1.00 4.31 C ATOM 190 CD2 LEU A 15 10.831 -3.350 5.115 1.00 13.13 C ATOM 0 H LEU A 15 13.734 -4.483 1.424 1.00 31.50 H new ATOM 0 HA LEU A 15 12.005 -5.400 3.483 1.00 21.23 H new ATOM 0 HB2 LEU A 15 13.664 -3.306 3.072 1.00 12.12 H new ATOM 0 HB3 LEU A 15 12.142 -2.539 2.667 1.00 12.12 H new ATOM 0 HG LEU A 15 12.854 -3.893 5.287 1.00 73.35 H new ATOM 0 HD11 LEU A 15 12.551 -1.538 6.151 1.00 4.31 H new ATOM 0 HD12 LEU A 15 13.812 -1.611 4.897 1.00 4.31 H new ATOM 0 HD13 LEU A 15 12.190 -0.997 4.494 1.00 4.31 H new ATOM 0 HD21 LEU A 15 10.709 -3.178 6.184 1.00 13.13 H new ATOM 0 HD22 LEU A 15 10.205 -2.651 4.561 1.00 13.13 H new ATOM 0 HD23 LEU A 15 10.534 -4.371 4.875 1.00 13.13 H new ATOM 202 N ALA A 16 10.586 -4.061 0.805 1.00 22.22 N ATOM 203 CA ALA A 16 9.331 -3.900 0.089 1.00 12.31 C ATOM 204 C ALA A 16 8.653 -5.252 -0.087 1.00 12.32 C ATOM 205 O ALA A 16 7.441 -5.346 0.083 1.00 12.20 O ATOM 206 CB ALA A 16 9.569 -3.288 -1.287 1.00 50.52 C ATOM 0 H ALA A 16 11.402 -3.760 0.272 1.00 22.22 H new ATOM 0 HA ALA A 16 8.693 -3.236 0.673 1.00 12.31 H new ATOM 0 HB1 ALA A 16 8.617 -3.177 -1.805 1.00 50.52 H new ATOM 0 HB2 ALA A 16 10.037 -2.310 -1.174 1.00 50.52 H new ATOM 0 HB3 ALA A 16 10.223 -3.939 -1.867 1.00 50.52 H new ATOM 212 N GLU A 17 9.420 -6.288 -0.442 1.00 72.41 N ATOM 213 CA GLU A 17 8.884 -7.627 -0.623 1.00 32.25 C ATOM 214 C GLU A 17 8.221 -8.062 0.682 1.00 62.31 C ATOM 215 O GLU A 17 7.117 -8.598 0.619 1.00 10.15 O ATOM 216 CB GLU A 17 9.981 -8.599 -1.072 1.00 4.31 C ATOM 217 CG GLU A 17 9.471 -10.035 -1.246 1.00 40.25 C ATOM 218 CD GLU A 17 10.620 -10.985 -1.566 1.00 11.44 C ATOM 219 OE1 GLU A 17 11.482 -11.226 -0.691 1.00 70.53 O ATOM 220 OE2 GLU A 17 10.705 -11.490 -2.707 1.00 4.40 O ATOM 0 H GLU A 17 10.424 -6.216 -0.609 1.00 72.41 H new ATOM 0 HA GLU A 17 8.134 -7.630 -1.414 1.00 32.25 H new ATOM 0 HB2 GLU A 17 10.403 -8.252 -2.015 1.00 4.31 H new ATOM 0 HB3 GLU A 17 10.788 -8.592 -0.339 1.00 4.31 H new ATOM 0 HG2 GLU A 17 8.968 -10.360 -0.335 1.00 40.25 H new ATOM 0 HG3 GLU A 17 8.732 -10.068 -2.047 1.00 40.25 H new ATOM 227 N ASN A 18 8.848 -7.816 1.843 1.00 2.31 N ATOM 228 CA ASN A 18 8.260 -8.191 3.128 1.00 74.32 C ATOM 229 C ASN A 18 6.954 -7.436 3.339 1.00 20.23 C ATOM 230 O ASN A 18 5.948 -8.060 3.658 1.00 71.44 O ATOM 231 CB ASN A 18 9.182 -7.910 4.321 1.00 23.52 C ATOM 232 CG ASN A 18 8.629 -8.566 5.590 1.00 31.05 C ATOM 233 OD1 ASN A 18 7.630 -8.126 6.154 1.00 71.40 O ATOM 234 ND2 ASN A 18 9.246 -9.640 6.053 1.00 71.45 N ATOM 0 H ASN A 18 9.758 -7.361 1.913 1.00 2.31 H new ATOM 0 HA ASN A 18 8.092 -9.267 3.085 1.00 74.32 H new ATOM 0 HB2 ASN A 18 10.182 -8.291 4.113 1.00 23.52 H new ATOM 0 HB3 ASN A 18 9.275 -6.834 4.471 1.00 23.52 H new ATOM 0 HD21 ASN A 18 8.893 -10.111 6.886 1.00 71.45 H new ATOM 0 HD22 ASN A 18 10.075 -9.997 5.577 1.00 71.45 H new ATOM 241 N PHE A 19 6.950 -6.111 3.151 1.00 11.13 N ATOM 242 CA PHE A 19 5.754 -5.293 3.334 1.00 71.32 C ATOM 243 C PHE A 19 4.604 -5.802 2.479 1.00 62.42 C ATOM 244 O PHE A 19 3.516 -6.053 2.995 1.00 72.22 O ATOM 245 CB PHE A 19 6.042 -3.809 3.045 1.00 52.25 C ATOM 246 CG PHE A 19 4.813 -2.921 3.182 1.00 51.32 C ATOM 247 CD1 PHE A 19 4.347 -2.198 2.069 1.00 53.12 C ATOM 248 CD2 PHE A 19 4.096 -2.856 4.394 1.00 14.42 C ATOM 249 CE1 PHE A 19 3.159 -1.451 2.146 1.00 54.13 C ATOM 250 CE2 PHE A 19 2.924 -2.082 4.484 1.00 42.11 C ATOM 251 CZ PHE A 19 2.450 -1.386 3.358 1.00 73.33 C ATOM 0 H PHE A 19 7.775 -5.581 2.869 1.00 11.13 H new ATOM 0 HA PHE A 19 5.456 -5.376 4.379 1.00 71.32 H new ATOM 0 HB2 PHE A 19 6.815 -3.456 3.728 1.00 52.25 H new ATOM 0 HB3 PHE A 19 6.441 -3.713 2.035 1.00 52.25 H new ATOM 0 HD1 PHE A 19 4.908 -2.217 1.146 1.00 53.12 H new ATOM 0 HD2 PHE A 19 4.447 -3.402 5.257 1.00 14.42 H new ATOM 0 HE1 PHE A 19 2.792 -0.928 1.276 1.00 54.13 H new ATOM 0 HE2 PHE A 19 2.388 -2.023 5.420 1.00 42.11 H new ATOM 0 HZ PHE A 19 1.543 -0.803 3.424 1.00 73.33 H new ATOM 261 N LEU A 20 4.847 -5.968 1.182 1.00 5.24 N ATOM 262 CA LEU A 20 3.858 -6.438 0.230 1.00 32.53 C ATOM 263 C LEU A 20 3.414 -7.853 0.576 1.00 21.20 C ATOM 264 O LEU A 20 2.219 -8.130 0.521 1.00 71.22 O ATOM 265 CB LEU A 20 4.445 -6.370 -1.185 1.00 52.35 C ATOM 266 CG LEU A 20 4.277 -4.999 -1.871 1.00 41.52 C ATOM 267 CD1 LEU A 20 4.550 -3.774 -0.994 1.00 23.24 C ATOM 268 CD2 LEU A 20 5.231 -4.916 -3.053 1.00 44.13 C ATOM 0 H LEU A 20 5.755 -5.775 0.760 1.00 5.24 H new ATOM 0 HA LEU A 20 2.977 -5.798 0.275 1.00 32.53 H new ATOM 0 HB2 LEU A 20 5.506 -6.613 -1.139 1.00 52.35 H new ATOM 0 HB3 LEU A 20 3.970 -7.133 -1.801 1.00 52.35 H new ATOM 0 HG LEU A 20 3.224 -4.959 -2.148 1.00 41.52 H new ATOM 0 HD11 LEU A 20 4.401 -2.867 -1.580 1.00 23.24 H new ATOM 0 HD12 LEU A 20 3.866 -3.774 -0.145 1.00 23.24 H new ATOM 0 HD13 LEU A 20 5.577 -3.808 -0.632 1.00 23.24 H new ATOM 0 HD21 LEU A 20 5.119 -3.949 -3.544 1.00 44.13 H new ATOM 0 HD22 LEU A 20 6.257 -5.027 -2.701 1.00 44.13 H new ATOM 0 HD23 LEU A 20 5.002 -5.712 -3.762 1.00 44.13 H new ATOM 280 N ASN A 21 4.352 -8.737 0.932 1.00 51.34 N ATOM 281 CA ASN A 21 4.050 -10.116 1.282 1.00 63.50 C ATOM 282 C ASN A 21 3.134 -10.145 2.495 1.00 23.22 C ATOM 283 O ASN A 21 2.057 -10.728 2.431 1.00 43.03 O ATOM 284 CB ASN A 21 5.350 -10.897 1.571 1.00 32.00 C ATOM 285 CG ASN A 21 5.091 -12.362 1.885 1.00 42.51 C ATOM 286 OD1 ASN A 21 4.183 -12.969 1.326 1.00 20.44 O ATOM 287 ND2 ASN A 21 5.881 -12.953 2.761 1.00 32.34 N ATOM 0 H ASN A 21 5.345 -8.508 0.984 1.00 51.34 H new ATOM 0 HA ASN A 21 3.545 -10.593 0.442 1.00 63.50 H new ATOM 0 HB2 ASN A 21 6.013 -10.825 0.709 1.00 32.00 H new ATOM 0 HB3 ASN A 21 5.869 -10.435 2.411 1.00 32.00 H new ATOM 0 HD21 ASN A 21 5.744 -13.938 2.988 1.00 32.34 H new ATOM 0 HD22 ASN A 21 6.629 -12.425 3.211 1.00 32.34 H new ATOM 294 N SER A 22 3.517 -9.461 3.567 1.00 74.24 N ATOM 295 CA SER A 22 2.771 -9.366 4.809 1.00 24.41 C ATOM 296 C SER A 22 1.387 -8.771 4.554 1.00 13.42 C ATOM 297 O SER A 22 0.385 -9.332 4.984 1.00 21.03 O ATOM 298 CB SER A 22 3.594 -8.514 5.781 1.00 62.41 C ATOM 299 OG SER A 22 4.839 -9.151 6.024 1.00 22.35 O ATOM 0 H SER A 22 4.392 -8.937 3.592 1.00 74.24 H new ATOM 0 HA SER A 22 2.608 -10.352 5.244 1.00 24.41 H new ATOM 0 HB2 SER A 22 3.756 -7.520 5.364 1.00 62.41 H new ATOM 0 HB3 SER A 22 3.051 -8.382 6.717 1.00 62.41 H new ATOM 0 HG SER A 22 5.470 -8.919 5.311 1.00 22.35 H new ATOM 305 N PHE A 23 1.325 -7.661 3.810 1.00 52.32 N ATOM 306 CA PHE A 23 0.086 -6.979 3.491 1.00 52.14 C ATOM 307 C PHE A 23 -0.879 -7.897 2.753 1.00 33.15 C ATOM 308 O PHE A 23 -2.023 -8.040 3.186 1.00 43.21 O ATOM 309 CB PHE A 23 0.392 -5.710 2.679 1.00 32.10 C ATOM 310 CG PHE A 23 -0.855 -5.007 2.190 1.00 4.02 C ATOM 311 CD1 PHE A 23 -1.187 -5.017 0.823 1.00 43.24 C ATOM 312 CD2 PHE A 23 -1.730 -4.418 3.118 1.00 23.45 C ATOM 313 CE1 PHE A 23 -2.393 -4.444 0.387 1.00 73.24 C ATOM 314 CE2 PHE A 23 -2.935 -3.848 2.684 1.00 65.11 C ATOM 315 CZ PHE A 23 -3.264 -3.853 1.316 1.00 30.34 C ATOM 0 H PHE A 23 2.150 -7.213 3.412 1.00 52.32 H new ATOM 0 HA PHE A 23 -0.406 -6.689 4.419 1.00 52.14 H new ATOM 0 HB2 PHE A 23 0.972 -5.023 3.294 1.00 32.10 H new ATOM 0 HB3 PHE A 23 1.013 -5.974 1.823 1.00 32.10 H new ATOM 0 HD1 PHE A 23 -0.514 -5.466 0.108 1.00 43.24 H new ATOM 0 HD2 PHE A 23 -1.474 -4.404 4.167 1.00 23.45 H new ATOM 0 HE1 PHE A 23 -2.650 -4.458 -0.662 1.00 73.24 H new ATOM 0 HE2 PHE A 23 -3.611 -3.405 3.400 1.00 65.11 H new ATOM 0 HZ PHE A 23 -4.186 -3.402 0.981 1.00 30.34 H new ATOM 325 N LEU A 24 -0.441 -8.506 1.651 1.00 22.15 N ATOM 326 CA LEU A 24 -1.291 -9.397 0.864 1.00 35.33 C ATOM 327 C LEU A 24 -1.692 -10.627 1.678 1.00 44.33 C ATOM 328 O LEU A 24 -2.868 -10.990 1.667 1.00 54.31 O ATOM 329 CB LEU A 24 -0.631 -9.800 -0.468 1.00 23.51 C ATOM 330 CG LEU A 24 -0.421 -8.658 -1.489 1.00 43.24 C ATOM 331 CD1 LEU A 24 0.042 -9.254 -2.822 1.00 61.25 C ATOM 332 CD2 LEU A 24 -1.657 -7.791 -1.765 1.00 70.10 C ATOM 0 H LEU A 24 0.504 -8.397 1.282 1.00 22.15 H new ATOM 0 HA LEU A 24 -2.196 -8.844 0.614 1.00 35.33 H new ATOM 0 HB2 LEU A 24 0.338 -10.249 -0.250 1.00 23.51 H new ATOM 0 HB3 LEU A 24 -1.242 -10.572 -0.936 1.00 23.51 H new ATOM 0 HG LEU A 24 0.323 -8.003 -1.035 1.00 43.24 H new ATOM 0 HD11 LEU A 24 0.192 -8.453 -3.546 1.00 61.25 H new ATOM 0 HD12 LEU A 24 0.980 -9.790 -2.675 1.00 61.25 H new ATOM 0 HD13 LEU A 24 -0.715 -9.943 -3.195 1.00 61.25 H new ATOM 0 HD21 LEU A 24 -1.405 -7.020 -2.493 1.00 70.10 H new ATOM 0 HD22 LEU A 24 -2.459 -8.415 -2.160 1.00 70.10 H new ATOM 0 HD23 LEU A 24 -1.986 -7.321 -0.838 1.00 70.10 H new ATOM 344 N GLN A 25 -0.753 -11.244 2.398 1.00 15.14 N ATOM 345 CA GLN A 25 -1.007 -12.418 3.225 1.00 21.11 C ATOM 346 C GLN A 25 -2.134 -12.112 4.218 1.00 1.13 C ATOM 347 O GLN A 25 -3.113 -12.856 4.266 1.00 11.43 O ATOM 348 CB GLN A 25 0.277 -12.842 3.957 1.00 31.03 C ATOM 349 CG GLN A 25 1.315 -13.571 3.086 1.00 32.42 C ATOM 350 CD GLN A 25 1.049 -15.069 2.967 1.00 34.52 C ATOM 351 OE1 GLN A 25 1.026 -15.795 3.966 1.00 14.01 O ATOM 352 NE2 GLN A 25 0.882 -15.564 1.754 1.00 30.23 N ATOM 0 H GLN A 25 0.219 -10.935 2.421 1.00 15.14 H new ATOM 0 HA GLN A 25 -1.319 -13.248 2.591 1.00 21.11 H new ATOM 0 HB2 GLN A 25 0.743 -11.954 4.384 1.00 31.03 H new ATOM 0 HB3 GLN A 25 0.005 -13.491 4.790 1.00 31.03 H new ATOM 0 HG2 GLN A 25 1.320 -13.128 2.090 1.00 32.42 H new ATOM 0 HG3 GLN A 25 2.308 -13.417 3.508 1.00 32.42 H new ATOM 0 HE21 GLN A 25 0.905 -14.946 0.943 1.00 30.23 H new ATOM 0 HE22 GLN A 25 0.730 -16.565 1.628 1.00 30.23 H new ATOM 361 N GLY A 26 -2.049 -11.007 4.966 1.00 42.54 N ATOM 362 CA GLY A 26 -3.075 -10.638 5.932 1.00 70.44 C ATOM 363 C GLY A 26 -4.404 -10.322 5.249 1.00 71.31 C ATOM 364 O GLY A 26 -5.454 -10.831 5.652 1.00 11.42 O ATOM 0 H GLY A 26 -1.270 -10.350 4.916 1.00 42.54 H new ATOM 0 HA2 GLY A 26 -3.215 -11.452 6.643 1.00 70.44 H new ATOM 0 HA3 GLY A 26 -2.743 -9.770 6.502 1.00 70.44 H new ATOM 368 N LEU A 27 -4.378 -9.495 4.196 1.00 24.54 N ATOM 369 CA LEU A 27 -5.581 -9.105 3.467 1.00 43.21 C ATOM 370 C LEU A 27 -6.312 -10.321 2.895 1.00 13.03 C ATOM 371 O LEU A 27 -7.538 -10.327 2.895 1.00 32.50 O ATOM 372 CB LEU A 27 -5.251 -8.096 2.354 1.00 1.32 C ATOM 373 CG LEU A 27 -6.215 -6.904 2.232 1.00 21.21 C ATOM 374 CD1 LEU A 27 -5.887 -6.143 0.946 1.00 34.31 C ATOM 375 CD2 LEU A 27 -7.700 -7.267 2.227 1.00 55.32 C ATOM 0 H LEU A 27 -3.521 -9.080 3.830 1.00 24.54 H new ATOM 0 HA LEU A 27 -6.249 -8.621 4.180 1.00 43.21 H new ATOM 0 HB2 LEU A 27 -4.245 -7.711 2.523 1.00 1.32 H new ATOM 0 HB3 LEU A 27 -5.234 -8.625 1.401 1.00 1.32 H new ATOM 0 HG LEU A 27 -6.063 -6.301 3.127 1.00 21.21 H new ATOM 0 HD11 LEU A 27 -6.562 -5.293 0.844 1.00 34.31 H new ATOM 0 HD12 LEU A 27 -4.858 -5.786 0.987 1.00 34.31 H new ATOM 0 HD13 LEU A 27 -6.007 -6.807 0.090 1.00 34.31 H new ATOM 0 HD21 LEU A 27 -8.296 -6.359 2.137 1.00 55.32 H new ATOM 0 HD22 LEU A 27 -7.911 -7.924 1.384 1.00 55.32 H new ATOM 0 HD23 LEU A 27 -7.953 -7.777 3.157 1.00 55.32 H new ATOM 387 N SER A 28 -5.597 -11.373 2.484 1.00 51.41 N ATOM 388 CA SER A 28 -6.196 -12.576 1.914 1.00 71.14 C ATOM 389 C SER A 28 -7.175 -13.295 2.848 1.00 61.31 C ATOM 390 O SER A 28 -7.998 -14.086 2.374 1.00 12.45 O ATOM 391 CB SER A 28 -5.085 -13.528 1.447 1.00 12.10 C ATOM 392 OG SER A 28 -4.470 -14.223 2.515 1.00 75.41 O ATOM 0 H SER A 28 -4.579 -11.410 2.539 1.00 51.41 H new ATOM 0 HA SER A 28 -6.799 -12.253 1.066 1.00 71.14 H new ATOM 0 HB2 SER A 28 -5.503 -14.249 0.744 1.00 12.10 H new ATOM 0 HB3 SER A 28 -4.328 -12.958 0.907 1.00 12.10 H new ATOM 0 HG SER A 28 -3.833 -13.631 2.967 1.00 75.41 H new ATOM 398 N SER A 29 -7.089 -13.044 4.155 1.00 20.35 N ATOM 399 CA SER A 29 -7.928 -13.643 5.181 1.00 72.32 C ATOM 400 C SER A 29 -8.935 -12.640 5.761 1.00 50.44 C ATOM 401 O SER A 29 -9.753 -13.012 6.610 1.00 64.11 O ATOM 402 CB SER A 29 -6.994 -14.185 6.269 1.00 12.44 C ATOM 403 OG SER A 29 -7.354 -15.503 6.635 1.00 10.12 O ATOM 0 H SER A 29 -6.405 -12.392 4.538 1.00 20.35 H new ATOM 0 HA SER A 29 -8.526 -14.446 4.750 1.00 72.32 H new ATOM 0 HB2 SER A 29 -5.965 -14.172 5.910 1.00 12.44 H new ATOM 0 HB3 SER A 29 -7.035 -13.537 7.144 1.00 12.44 H new ATOM 0 HG SER A 29 -6.743 -15.828 7.329 1.00 10.12 H new ATOM 409 N MET A 30 -8.862 -11.373 5.348 1.00 35.43 N ATOM 410 CA MET A 30 -9.726 -10.289 5.788 1.00 63.31 C ATOM 411 C MET A 30 -10.935 -10.189 4.855 1.00 33.33 C ATOM 412 O MET A 30 -10.856 -10.577 3.690 1.00 43.14 O ATOM 413 CB MET A 30 -8.910 -8.993 5.762 1.00 11.03 C ATOM 414 CG MET A 30 -7.961 -8.917 6.958 1.00 15.21 C ATOM 415 SD MET A 30 -8.771 -8.494 8.520 1.00 21.25 S ATOM 416 CE MET A 30 -9.220 -6.775 8.202 1.00 64.24 C ATOM 0 H MET A 30 -8.166 -11.067 4.668 1.00 35.43 H new ATOM 0 HA MET A 30 -10.092 -10.470 6.799 1.00 63.31 H new ATOM 0 HB2 MET A 30 -8.338 -8.938 4.836 1.00 11.03 H new ATOM 0 HB3 MET A 30 -9.583 -8.136 5.772 1.00 11.03 H new ATOM 0 HG2 MET A 30 -7.458 -9.878 7.071 1.00 15.21 H new ATOM 0 HG3 MET A 30 -7.189 -8.176 6.749 1.00 15.21 H new ATOM 0 HE1 MET A 30 -9.601 -6.323 9.118 1.00 64.24 H new ATOM 0 HE2 MET A 30 -8.341 -6.226 7.865 1.00 64.24 H new ATOM 0 HE3 MET A 30 -9.989 -6.737 7.431 1.00 64.24 H new ATOM 426 N PRO A 31 -12.047 -9.587 5.307 1.00 50.32 N ATOM 427 CA PRO A 31 -13.246 -9.476 4.487 1.00 51.41 C ATOM 428 C PRO A 31 -13.143 -8.466 3.336 1.00 11.31 C ATOM 429 O PRO A 31 -14.023 -8.476 2.473 1.00 20.23 O ATOM 430 CB PRO A 31 -14.368 -9.127 5.472 1.00 50.05 C ATOM 431 CG PRO A 31 -13.647 -8.401 6.606 1.00 10.32 C ATOM 432 CD PRO A 31 -12.277 -9.078 6.651 1.00 41.31 C ATOM 0 HA PRO A 31 -13.429 -10.413 3.960 1.00 51.41 H new ATOM 0 HB2 PRO A 31 -15.124 -8.493 5.008 1.00 50.05 H new ATOM 0 HB3 PRO A 31 -14.878 -10.021 5.830 1.00 50.05 H new ATOM 0 HG2 PRO A 31 -13.560 -7.333 6.407 1.00 10.32 H new ATOM 0 HG3 PRO A 31 -14.178 -8.507 7.552 1.00 10.32 H new ATOM 0 HD2 PRO A 31 -11.500 -8.371 6.941 1.00 41.31 H new ATOM 0 HD3 PRO A 31 -12.263 -9.885 7.384 1.00 41.31 H new ATOM 440 N GLY A 32 -12.095 -7.634 3.301 1.00 70.24 N ATOM 441 CA GLY A 32 -11.858 -6.607 2.293 1.00 41.31 C ATOM 442 C GLY A 32 -11.803 -7.146 0.867 1.00 43.15 C ATOM 443 O GLY A 32 -12.797 -7.087 0.142 1.00 11.13 O ATOM 0 H GLY A 32 -11.360 -7.664 4.008 1.00 70.24 H new ATOM 0 HA2 GLY A 32 -12.647 -5.858 2.358 1.00 41.31 H new ATOM 0 HA3 GLY A 32 -10.919 -6.101 2.517 1.00 41.31 H new ATOM 447 N PHE A 33 -10.618 -7.557 0.416 1.00 43.50 N ATOM 448 CA PHE A 33 -10.394 -8.112 -0.918 1.00 23.42 C ATOM 449 C PHE A 33 -10.459 -9.630 -0.779 1.00 43.13 C ATOM 450 O PHE A 33 -9.795 -10.184 0.097 1.00 62.14 O ATOM 451 CB PHE A 33 -9.023 -7.710 -1.484 1.00 21.41 C ATOM 452 CG PHE A 33 -8.880 -6.261 -1.899 1.00 50.24 C ATOM 453 CD1 PHE A 33 -8.662 -5.272 -0.926 1.00 72.23 C ATOM 454 CD2 PHE A 33 -8.908 -5.894 -3.259 1.00 22.30 C ATOM 455 CE1 PHE A 33 -8.480 -3.935 -1.307 1.00 31.10 C ATOM 456 CE2 PHE A 33 -8.755 -4.549 -3.629 1.00 54.43 C ATOM 457 CZ PHE A 33 -8.541 -3.565 -2.656 1.00 45.23 C ATOM 0 H PHE A 33 -9.769 -7.512 0.980 1.00 43.50 H new ATOM 0 HA PHE A 33 -11.148 -7.729 -1.606 1.00 23.42 H new ATOM 0 HB2 PHE A 33 -8.263 -7.930 -0.734 1.00 21.41 H new ATOM 0 HB3 PHE A 33 -8.810 -8.339 -2.349 1.00 21.41 H new ATOM 0 HD1 PHE A 33 -8.634 -5.542 0.119 1.00 72.23 H new ATOM 0 HD2 PHE A 33 -9.047 -6.649 -4.018 1.00 22.30 H new ATOM 0 HE1 PHE A 33 -8.291 -3.184 -0.554 1.00 31.10 H new ATOM 0 HE2 PHE A 33 -8.803 -4.271 -4.671 1.00 54.43 H new ATOM 0 HZ PHE A 33 -8.424 -2.531 -2.943 1.00 45.23 H new ATOM 467 N THR A 34 -11.265 -10.301 -1.595 1.00 72.22 N ATOM 468 CA THR A 34 -11.376 -11.751 -1.546 1.00 0.11 C ATOM 469 C THR A 34 -10.088 -12.395 -2.082 1.00 74.10 C ATOM 470 O THR A 34 -9.295 -11.758 -2.782 1.00 50.52 O ATOM 471 CB THR A 34 -12.609 -12.192 -2.351 1.00 41.20 C ATOM 472 OG1 THR A 34 -12.608 -11.563 -3.616 1.00 12.35 O ATOM 473 CG2 THR A 34 -13.914 -11.838 -1.632 1.00 23.14 C ATOM 0 H THR A 34 -11.853 -9.859 -2.301 1.00 72.22 H new ATOM 0 HA THR A 34 -11.504 -12.081 -0.515 1.00 0.11 H new ATOM 0 HB THR A 34 -12.554 -13.275 -2.461 1.00 41.20 H new ATOM 0 HG1 THR A 34 -13.395 -11.850 -4.124 1.00 12.35 H new ATOM 0 HG21 THR A 34 -14.762 -12.166 -2.234 1.00 23.14 H new ATOM 0 HG22 THR A 34 -13.942 -12.336 -0.663 1.00 23.14 H new ATOM 0 HG23 THR A 34 -13.968 -10.759 -1.487 1.00 23.14 H new ATOM 481 N ALA A 35 -9.914 -13.694 -1.817 1.00 20.04 N ATOM 482 CA ALA A 35 -8.755 -14.483 -2.237 1.00 0.44 C ATOM 483 C ALA A 35 -8.508 -14.439 -3.752 1.00 34.14 C ATOM 484 O ALA A 35 -7.375 -14.629 -4.191 1.00 12.21 O ATOM 485 CB ALA A 35 -8.957 -15.926 -1.783 1.00 53.31 C ATOM 0 H ALA A 35 -10.596 -14.239 -1.289 1.00 20.04 H new ATOM 0 HA ALA A 35 -7.872 -14.046 -1.772 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -8.101 -16.527 -2.089 1.00 53.31 H new ATOM 0 HB2 ALA A 35 -9.052 -15.956 -0.698 1.00 53.31 H new ATOM 0 HB3 ALA A 35 -9.863 -16.327 -2.238 1.00 53.31 H new ATOM 491 N SER A 36 -9.572 -14.216 -4.526 1.00 14.02 N ATOM 492 CA SER A 36 -9.573 -14.113 -5.974 1.00 73.23 C ATOM 493 C SER A 36 -8.843 -12.826 -6.362 1.00 62.32 C ATOM 494 O SER A 36 -7.873 -12.867 -7.111 1.00 44.24 O ATOM 495 CB SER A 36 -11.042 -14.149 -6.415 1.00 2.54 C ATOM 496 OG SER A 36 -11.266 -13.907 -7.783 1.00 51.43 O ATOM 0 H SER A 36 -10.505 -14.097 -4.130 1.00 14.02 H new ATOM 0 HA SER A 36 -9.049 -14.929 -6.472 1.00 73.23 H new ATOM 0 HB2 SER A 36 -11.456 -15.125 -6.163 1.00 2.54 H new ATOM 0 HB3 SER A 36 -11.596 -13.409 -5.837 1.00 2.54 H new ATOM 0 HG SER A 36 -12.227 -13.952 -7.970 1.00 51.43 H new ATOM 502 N GLN A 37 -9.277 -11.681 -5.825 1.00 34.23 N ATOM 503 CA GLN A 37 -8.676 -10.380 -6.086 1.00 23.51 C ATOM 504 C GLN A 37 -7.205 -10.410 -5.665 1.00 23.25 C ATOM 505 O GLN A 37 -6.350 -9.847 -6.345 1.00 11.41 O ATOM 506 CB GLN A 37 -9.443 -9.315 -5.291 1.00 2.32 C ATOM 507 CG GLN A 37 -10.956 -9.265 -5.562 1.00 73.45 C ATOM 508 CD GLN A 37 -11.281 -8.556 -6.868 1.00 75.21 C ATOM 509 OE1 GLN A 37 -11.679 -7.400 -6.833 1.00 0.35 O ATOM 510 NE2 GLN A 37 -11.114 -9.214 -8.003 1.00 60.43 N ATOM 0 H GLN A 37 -10.071 -11.638 -5.186 1.00 34.23 H new ATOM 0 HA GLN A 37 -8.729 -10.141 -7.148 1.00 23.51 H new ATOM 0 HB2 GLN A 37 -9.285 -9.494 -4.227 1.00 2.32 H new ATOM 0 HB3 GLN A 37 -9.016 -8.338 -5.517 1.00 2.32 H new ATOM 0 HG2 GLN A 37 -11.352 -10.280 -5.593 1.00 73.45 H new ATOM 0 HG3 GLN A 37 -11.454 -8.753 -4.739 1.00 73.45 H new ATOM 0 HE21 GLN A 37 -10.780 -10.178 -7.989 1.00 60.43 H new ATOM 0 HE22 GLN A 37 -11.319 -8.758 -8.892 1.00 60.43 H new ATOM 519 N LEU A 38 -6.907 -11.086 -4.547 1.00 13.11 N ATOM 520 CA LEU A 38 -5.551 -11.211 -4.034 1.00 51.50 C ATOM 521 C LEU A 38 -4.614 -11.877 -5.038 1.00 73.54 C ATOM 522 O LEU A 38 -3.408 -11.641 -4.960 1.00 1.33 O ATOM 523 CB LEU A 38 -5.523 -12.001 -2.711 1.00 0.50 C ATOM 524 CG LEU A 38 -5.471 -11.149 -1.433 1.00 34.41 C ATOM 525 CD1 LEU A 38 -4.317 -10.148 -1.419 1.00 73.50 C ATOM 526 CD2 LEU A 38 -6.782 -10.418 -1.156 1.00 5.01 C ATOM 0 H LEU A 38 -7.607 -11.560 -3.977 1.00 13.11 H new ATOM 0 HA LEU A 38 -5.198 -10.195 -3.855 1.00 51.50 H new ATOM 0 HB2 LEU A 38 -6.408 -12.635 -2.668 1.00 0.50 H new ATOM 0 HB3 LEU A 38 -4.657 -12.663 -2.721 1.00 0.50 H new ATOM 0 HG LEU A 38 -5.300 -11.871 -0.635 1.00 34.41 H new ATOM 0 HD11 LEU A 38 -4.339 -9.580 -0.489 1.00 73.50 H new ATOM 0 HD12 LEU A 38 -3.370 -10.683 -1.495 1.00 73.50 H new ATOM 0 HD13 LEU A 38 -4.417 -9.466 -2.263 1.00 73.50 H new ATOM 0 HD21 LEU A 38 -6.686 -9.833 -0.242 1.00 5.01 H new ATOM 0 HD22 LEU A 38 -7.011 -9.754 -1.989 1.00 5.01 H new ATOM 0 HD23 LEU A 38 -7.586 -11.145 -1.039 1.00 5.01 H new ATOM 538 N ASP A 39 -5.123 -12.728 -5.929 1.00 32.13 N ATOM 539 CA ASP A 39 -4.292 -13.405 -6.910 1.00 51.32 C ATOM 540 C ASP A 39 -3.778 -12.393 -7.932 1.00 33.24 C ATOM 541 O ASP A 39 -2.571 -12.318 -8.136 1.00 61.35 O ATOM 542 CB ASP A 39 -5.057 -14.542 -7.586 1.00 32.13 C ATOM 543 CG ASP A 39 -4.145 -15.377 -8.479 1.00 33.14 C ATOM 544 OD1 ASP A 39 -4.657 -16.105 -9.350 1.00 25.31 O ATOM 545 OD2 ASP A 39 -2.905 -15.395 -8.282 1.00 10.25 O ATOM 0 H ASP A 39 -6.114 -12.962 -5.987 1.00 32.13 H new ATOM 0 HA ASP A 39 -3.437 -13.852 -6.403 1.00 51.32 H new ATOM 0 HB2 ASP A 39 -5.508 -15.181 -6.826 1.00 32.13 H new ATOM 0 HB3 ASP A 39 -5.872 -14.130 -8.181 1.00 32.13 H new ATOM 550 N ASP A 40 -4.659 -11.582 -8.531 1.00 60.15 N ATOM 551 CA ASP A 40 -4.250 -10.565 -9.516 1.00 61.23 C ATOM 552 C ASP A 40 -3.316 -9.555 -8.837 1.00 3.42 C ATOM 553 O ASP A 40 -2.349 -9.079 -9.441 1.00 24.31 O ATOM 554 CB ASP A 40 -5.466 -9.864 -10.154 1.00 54.55 C ATOM 555 CG ASP A 40 -5.639 -10.318 -11.605 1.00 10.21 C ATOM 556 OD1 ASP A 40 -6.358 -11.318 -11.856 1.00 10.43 O ATOM 557 OD2 ASP A 40 -4.989 -9.727 -12.499 1.00 4.31 O ATOM 0 H ASP A 40 -5.663 -11.608 -8.352 1.00 60.15 H new ATOM 0 HA ASP A 40 -3.717 -11.058 -10.329 1.00 61.23 H new ATOM 0 HB2 ASP A 40 -6.367 -10.093 -9.584 1.00 54.55 H new ATOM 0 HB3 ASP A 40 -5.332 -8.783 -10.117 1.00 54.55 H new ATOM 562 N LEU A 41 -3.580 -9.252 -7.558 1.00 73.33 N ATOM 563 CA LEU A 41 -2.802 -8.353 -6.711 1.00 22.43 C ATOM 564 C LEU A 41 -1.354 -8.849 -6.588 1.00 43.01 C ATOM 565 O LEU A 41 -0.457 -8.038 -6.340 1.00 34.11 O ATOM 566 CB LEU A 41 -3.446 -8.225 -5.317 1.00 1.05 C ATOM 567 CG LEU A 41 -4.210 -6.922 -5.016 1.00 71.12 C ATOM 568 CD1 LEU A 41 -3.285 -5.706 -4.983 1.00 63.21 C ATOM 569 CD2 LEU A 41 -5.388 -6.642 -5.956 1.00 21.15 C ATOM 0 H LEU A 41 -4.381 -9.649 -7.068 1.00 73.33 H new ATOM 0 HA LEU A 41 -2.793 -7.368 -7.177 1.00 22.43 H new ATOM 0 HB2 LEU A 41 -4.134 -9.060 -5.184 1.00 1.05 H new ATOM 0 HB3 LEU A 41 -2.661 -8.337 -4.570 1.00 1.05 H new ATOM 0 HG LEU A 41 -4.630 -7.089 -4.024 1.00 71.12 H new ATOM 0 HD11 LEU A 41 -3.868 -4.811 -4.767 1.00 63.21 H new ATOM 0 HD12 LEU A 41 -2.531 -5.843 -4.208 1.00 63.21 H new ATOM 0 HD13 LEU A 41 -2.795 -5.595 -5.950 1.00 63.21 H new ATOM 0 HD21 LEU A 41 -5.867 -5.706 -5.670 1.00 21.15 H new ATOM 0 HD22 LEU A 41 -5.025 -6.566 -6.981 1.00 21.15 H new ATOM 0 HD23 LEU A 41 -6.111 -7.455 -5.886 1.00 21.15 H new ATOM 581 N SER A 42 -1.126 -10.167 -6.674 1.00 4.43 N ATOM 582 CA SER A 42 0.195 -10.770 -6.583 1.00 2.11 C ATOM 583 C SER A 42 1.130 -10.164 -7.634 1.00 75.34 C ATOM 584 O SER A 42 2.298 -9.896 -7.330 1.00 13.23 O ATOM 585 CB SER A 42 0.083 -12.292 -6.755 1.00 31.31 C ATOM 586 OG SER A 42 1.255 -12.964 -6.334 1.00 61.44 O ATOM 0 H SER A 42 -1.872 -10.849 -6.811 1.00 4.43 H new ATOM 0 HA SER A 42 0.618 -10.563 -5.600 1.00 2.11 H new ATOM 0 HB2 SER A 42 -0.770 -12.659 -6.184 1.00 31.31 H new ATOM 0 HB3 SER A 42 -0.111 -12.525 -7.802 1.00 31.31 H new ATOM 0 HG SER A 42 1.141 -13.929 -6.459 1.00 61.44 H new ATOM 592 N THR A 43 0.642 -9.940 -8.857 1.00 14.43 N ATOM 593 CA THR A 43 1.437 -9.358 -9.927 1.00 75.02 C ATOM 594 C THR A 43 1.726 -7.895 -9.604 1.00 53.50 C ATOM 595 O THR A 43 2.876 -7.465 -9.665 1.00 4.23 O ATOM 596 CB THR A 43 0.709 -9.510 -11.267 1.00 40.50 C ATOM 597 OG1 THR A 43 0.154 -10.809 -11.383 1.00 12.34 O ATOM 598 CG2 THR A 43 1.693 -9.281 -12.413 1.00 53.43 C ATOM 0 H THR A 43 -0.317 -10.159 -9.127 1.00 14.43 H new ATOM 0 HA THR A 43 2.388 -9.883 -10.010 1.00 75.02 H new ATOM 0 HB THR A 43 -0.093 -8.774 -11.314 1.00 40.50 H new ATOM 0 HG1 THR A 43 -0.309 -10.891 -12.243 1.00 12.34 H new ATOM 0 HG21 THR A 43 1.174 -9.389 -13.365 1.00 53.43 H new ATOM 0 HG22 THR A 43 2.110 -8.277 -12.339 1.00 53.43 H new ATOM 0 HG23 THR A 43 2.498 -10.013 -12.353 1.00 53.43 H new ATOM 606 N ILE A 44 0.695 -7.158 -9.177 1.00 23.20 N ATOM 607 CA ILE A 44 0.776 -5.747 -8.821 1.00 44.20 C ATOM 608 C ILE A 44 1.894 -5.566 -7.782 1.00 71.33 C ATOM 609 O ILE A 44 2.696 -4.637 -7.887 1.00 13.41 O ATOM 610 CB ILE A 44 -0.619 -5.238 -8.370 1.00 11.11 C ATOM 611 CG1 ILE A 44 -1.664 -5.468 -9.496 1.00 43.54 C ATOM 612 CG2 ILE A 44 -0.554 -3.756 -7.957 1.00 34.34 C ATOM 613 CD1 ILE A 44 -3.096 -5.009 -9.190 1.00 4.54 C ATOM 0 H ILE A 44 -0.243 -7.543 -9.068 1.00 23.20 H new ATOM 0 HA ILE A 44 1.045 -5.128 -9.677 1.00 44.20 H new ATOM 0 HB ILE A 44 -0.933 -5.807 -7.495 1.00 11.11 H new ATOM 0 HG12 ILE A 44 -1.322 -4.951 -10.393 1.00 43.54 H new ATOM 0 HG13 ILE A 44 -1.687 -6.532 -9.731 1.00 43.54 H new ATOM 0 HG21 ILE A 44 -1.543 -3.422 -7.645 1.00 34.34 H new ATOM 0 HG22 ILE A 44 0.146 -3.639 -7.130 1.00 34.34 H new ATOM 0 HG23 ILE A 44 -0.219 -3.157 -8.804 1.00 34.34 H new ATOM 0 HD11 ILE A 44 -3.736 -5.220 -10.046 1.00 4.54 H new ATOM 0 HD12 ILE A 44 -3.471 -5.543 -8.317 1.00 4.54 H new ATOM 0 HD13 ILE A 44 -3.100 -3.938 -8.989 1.00 4.54 H new ATOM 625 N ALA A 45 1.983 -6.457 -6.788 1.00 4.51 N ATOM 626 CA ALA A 45 3.018 -6.383 -5.768 1.00 63.45 C ATOM 627 C ALA A 45 4.408 -6.549 -6.401 1.00 14.42 C ATOM 628 O ALA A 45 5.260 -5.681 -6.212 1.00 24.15 O ATOM 629 CB ALA A 45 2.750 -7.442 -4.698 1.00 12.02 C ATOM 0 H ALA A 45 1.341 -7.242 -6.674 1.00 4.51 H new ATOM 0 HA ALA A 45 2.997 -5.403 -5.292 1.00 63.45 H new ATOM 0 HB1 ALA A 45 3.524 -7.389 -3.932 1.00 12.02 H new ATOM 0 HB2 ALA A 45 1.776 -7.261 -4.243 1.00 12.02 H new ATOM 0 HB3 ALA A 45 2.759 -8.431 -5.155 1.00 12.02 H new ATOM 635 N GLN A 46 4.650 -7.614 -7.173 1.00 40.02 N ATOM 636 CA GLN A 46 5.948 -7.829 -7.811 1.00 51.13 C ATOM 637 C GLN A 46 6.299 -6.666 -8.758 1.00 23.13 C ATOM 638 O GLN A 46 7.484 -6.347 -8.905 1.00 54.44 O ATOM 639 CB GLN A 46 5.957 -9.185 -8.533 1.00 21.23 C ATOM 640 CG GLN A 46 6.362 -10.362 -7.623 1.00 21.51 C ATOM 641 CD GLN A 46 6.432 -11.708 -8.362 1.00 5.12 C ATOM 642 OE1 GLN A 46 6.558 -11.767 -9.586 1.00 65.11 O ATOM 643 NE2 GLN A 46 6.338 -12.818 -7.646 1.00 51.01 N ATOM 0 H GLN A 46 3.961 -8.340 -7.370 1.00 40.02 H new ATOM 0 HA GLN A 46 6.722 -7.852 -7.044 1.00 51.13 H new ATOM 0 HB2 GLN A 46 4.965 -9.377 -8.942 1.00 21.23 H new ATOM 0 HB3 GLN A 46 6.645 -9.134 -9.377 1.00 21.23 H new ATOM 0 HG2 GLN A 46 7.334 -10.150 -7.177 1.00 21.51 H new ATOM 0 HG3 GLN A 46 5.647 -10.442 -6.805 1.00 21.51 H new ATOM 0 HE21 GLN A 46 6.234 -12.764 -6.633 1.00 51.01 H new ATOM 0 HE22 GLN A 46 6.370 -13.727 -8.108 1.00 51.01 H new ATOM 652 N SER A 47 5.307 -6.024 -9.383 1.00 21.32 N ATOM 653 CA SER A 47 5.484 -4.890 -10.281 1.00 13.21 C ATOM 654 C SER A 47 6.006 -3.696 -9.468 1.00 24.25 C ATOM 655 O SER A 47 6.965 -3.026 -9.869 1.00 71.54 O ATOM 656 CB SER A 47 4.145 -4.579 -10.966 1.00 34.32 C ATOM 657 OG SER A 47 4.288 -3.534 -11.905 1.00 74.11 O ATOM 0 H SER A 47 4.329 -6.292 -9.271 1.00 21.32 H new ATOM 0 HA SER A 47 6.212 -5.115 -11.060 1.00 13.21 H new ATOM 0 HB2 SER A 47 3.772 -5.473 -11.465 1.00 34.32 H new ATOM 0 HB3 SER A 47 3.405 -4.300 -10.216 1.00 34.32 H new ATOM 0 HG SER A 47 3.423 -3.355 -12.329 1.00 74.11 H new ATOM 663 N LEU A 48 5.407 -3.422 -8.303 1.00 21.24 N ATOM 664 CA LEU A 48 5.820 -2.325 -7.433 1.00 1.15 C ATOM 665 C LEU A 48 7.276 -2.537 -7.004 1.00 15.10 C ATOM 666 O LEU A 48 8.067 -1.595 -7.102 1.00 64.12 O ATOM 667 CB LEU A 48 4.878 -2.195 -6.220 1.00 60.32 C ATOM 668 CG LEU A 48 3.474 -1.639 -6.549 1.00 60.22 C ATOM 669 CD1 LEU A 48 2.555 -1.804 -5.337 1.00 14.53 C ATOM 670 CD2 LEU A 48 3.502 -0.159 -6.951 1.00 4.15 C ATOM 0 H LEU A 48 4.620 -3.959 -7.940 1.00 21.24 H new ATOM 0 HA LEU A 48 5.755 -1.386 -7.982 1.00 1.15 H new ATOM 0 HB2 LEU A 48 4.766 -3.176 -5.757 1.00 60.32 H new ATOM 0 HB3 LEU A 48 5.347 -1.545 -5.481 1.00 60.32 H new ATOM 0 HG LEU A 48 3.101 -2.209 -7.400 1.00 60.22 H new ATOM 0 HD11 LEU A 48 1.566 -1.411 -5.574 1.00 14.53 H new ATOM 0 HD12 LEU A 48 2.474 -2.861 -5.083 1.00 14.53 H new ATOM 0 HD13 LEU A 48 2.969 -1.258 -4.489 1.00 14.53 H new ATOM 0 HD21 LEU A 48 2.489 0.178 -7.171 1.00 4.15 H new ATOM 0 HD22 LEU A 48 3.911 0.433 -6.132 1.00 4.15 H new ATOM 0 HD23 LEU A 48 4.126 -0.034 -7.836 1.00 4.15 H new ATOM 682 N VAL A 49 7.653 -3.753 -6.581 1.00 31.15 N ATOM 683 CA VAL A 49 9.032 -4.023 -6.165 1.00 2.22 C ATOM 684 C VAL A 49 10.000 -3.796 -7.331 1.00 70.42 C ATOM 685 O VAL A 49 11.083 -3.261 -7.103 1.00 15.15 O ATOM 686 CB VAL A 49 9.213 -5.432 -5.556 1.00 72.12 C ATOM 687 CG1 VAL A 49 10.634 -5.603 -4.997 1.00 74.23 C ATOM 688 CG2 VAL A 49 8.256 -5.685 -4.389 1.00 20.24 C ATOM 0 H VAL A 49 7.027 -4.556 -6.519 1.00 31.15 H new ATOM 0 HA VAL A 49 9.267 -3.315 -5.370 1.00 2.22 H new ATOM 0 HB VAL A 49 9.012 -6.134 -6.365 1.00 72.12 H new ATOM 0 HG11 VAL A 49 10.740 -6.601 -4.573 1.00 74.23 H new ATOM 0 HG12 VAL A 49 11.359 -5.470 -5.800 1.00 74.23 H new ATOM 0 HG13 VAL A 49 10.812 -4.858 -4.221 1.00 74.23 H new ATOM 0 HG21 VAL A 49 8.421 -6.688 -3.994 1.00 20.24 H new ATOM 0 HG22 VAL A 49 8.438 -4.951 -3.604 1.00 20.24 H new ATOM 0 HG23 VAL A 49 7.227 -5.597 -4.737 1.00 20.24 H new ATOM 698 N GLN A 50 9.643 -4.155 -8.571 1.00 42.44 N ATOM 699 CA GLN A 50 10.533 -3.944 -9.713 1.00 71.40 C ATOM 700 C GLN A 50 10.887 -2.464 -9.849 1.00 54.15 C ATOM 701 O GLN A 50 12.041 -2.156 -10.132 1.00 73.12 O ATOM 702 CB GLN A 50 9.921 -4.487 -11.008 1.00 32.10 C ATOM 703 CG GLN A 50 10.078 -6.005 -11.118 1.00 44.33 C ATOM 704 CD GLN A 50 9.120 -6.565 -12.160 1.00 13.03 C ATOM 705 OE1 GLN A 50 9.403 -6.585 -13.359 1.00 23.23 O ATOM 706 NE2 GLN A 50 7.973 -7.036 -11.705 1.00 63.41 N ATOM 0 H GLN A 50 8.750 -4.590 -8.805 1.00 42.44 H new ATOM 0 HA GLN A 50 11.452 -4.501 -9.531 1.00 71.40 H new ATOM 0 HB2 GLN A 50 8.863 -4.227 -11.047 1.00 32.10 H new ATOM 0 HB3 GLN A 50 10.398 -4.009 -11.864 1.00 32.10 H new ATOM 0 HG2 GLN A 50 11.105 -6.252 -11.389 1.00 44.33 H new ATOM 0 HG3 GLN A 50 9.884 -6.468 -10.150 1.00 44.33 H new ATOM 0 HE21 GLN A 50 7.769 -7.005 -10.706 1.00 63.41 H new ATOM 0 HE22 GLN A 50 7.291 -7.431 -12.353 1.00 63.41 H new ATOM 715 N SER A 51 9.936 -1.548 -9.627 1.00 61.41 N ATOM 716 CA SER A 51 10.219 -0.119 -9.721 1.00 31.44 C ATOM 717 C SER A 51 11.262 0.259 -8.665 1.00 51.52 C ATOM 718 O SER A 51 12.168 1.049 -8.944 1.00 1.25 O ATOM 719 CB SER A 51 8.932 0.687 -9.538 1.00 53.42 C ATOM 720 OG SER A 51 9.010 1.923 -10.225 1.00 2.24 O ATOM 0 H SER A 51 8.972 -1.773 -9.383 1.00 61.41 H new ATOM 0 HA SER A 51 10.619 0.113 -10.708 1.00 31.44 H new ATOM 0 HB2 SER A 51 8.083 0.113 -9.908 1.00 53.42 H new ATOM 0 HB3 SER A 51 8.758 0.866 -8.477 1.00 53.42 H new ATOM 0 HG SER A 51 8.176 2.422 -10.096 1.00 2.24 H new ATOM 726 N ILE A 52 11.140 -0.299 -7.453 1.00 42.15 N ATOM 727 CA ILE A 52 12.081 -0.034 -6.375 1.00 34.34 C ATOM 728 C ILE A 52 13.445 -0.520 -6.844 1.00 15.03 C ATOM 729 O ILE A 52 14.394 0.248 -6.754 1.00 24.51 O ATOM 730 CB ILE A 52 11.648 -0.675 -5.034 1.00 20.40 C ATOM 731 CG1 ILE A 52 10.309 -0.056 -4.599 1.00 52.20 C ATOM 732 CG2 ILE A 52 12.724 -0.447 -3.955 1.00 52.00 C ATOM 733 CD1 ILE A 52 9.657 -0.701 -3.381 1.00 31.13 C ATOM 0 H ILE A 52 10.389 -0.941 -7.201 1.00 42.15 H new ATOM 0 HA ILE A 52 12.116 1.034 -6.162 1.00 34.34 H new ATOM 0 HB ILE A 52 11.528 -1.751 -5.164 1.00 20.40 H new ATOM 0 HG12 ILE A 52 10.468 1.001 -4.388 1.00 52.20 H new ATOM 0 HG13 ILE A 52 9.613 -0.113 -5.436 1.00 52.20 H new ATOM 0 HG21 ILE A 52 12.403 -0.904 -3.019 1.00 52.00 H new ATOM 0 HG22 ILE A 52 13.663 -0.898 -4.276 1.00 52.00 H new ATOM 0 HG23 ILE A 52 12.868 0.623 -3.805 1.00 52.00 H new ATOM 0 HD11 ILE A 52 8.720 -0.191 -3.157 1.00 31.13 H new ATOM 0 HD12 ILE A 52 9.458 -1.752 -3.589 1.00 31.13 H new ATOM 0 HD13 ILE A 52 10.327 -0.621 -2.525 1.00 31.13 H new ATOM 745 N GLN A 53 13.551 -1.749 -7.359 1.00 75.23 N ATOM 746 CA GLN A 53 14.809 -2.303 -7.842 1.00 44.43 C ATOM 747 C GLN A 53 15.436 -1.402 -8.907 1.00 12.43 C ATOM 748 O GLN A 53 16.645 -1.165 -8.853 1.00 34.31 O ATOM 749 CB GLN A 53 14.621 -3.711 -8.413 1.00 73.11 C ATOM 750 CG GLN A 53 14.183 -4.740 -7.369 1.00 1.15 C ATOM 751 CD GLN A 53 14.083 -6.168 -7.898 1.00 15.24 C ATOM 752 OE1 GLN A 53 14.316 -7.107 -7.144 1.00 73.11 O ATOM 753 NE2 GLN A 53 13.730 -6.388 -9.154 1.00 54.21 N ATOM 0 H GLN A 53 12.760 -2.386 -7.451 1.00 75.23 H new ATOM 0 HA GLN A 53 15.479 -2.361 -6.984 1.00 44.43 H new ATOM 0 HB2 GLN A 53 13.878 -3.675 -9.210 1.00 73.11 H new ATOM 0 HB3 GLN A 53 15.557 -4.039 -8.865 1.00 73.11 H new ATOM 0 HG2 GLN A 53 14.889 -4.721 -6.539 1.00 1.15 H new ATOM 0 HG3 GLN A 53 13.213 -4.444 -6.969 1.00 1.15 H new ATOM 0 HE21 GLN A 53 13.538 -5.602 -9.775 1.00 54.21 H new ATOM 0 HE22 GLN A 53 13.650 -7.344 -9.501 1.00 54.21 H new ATOM 762 N SER A 54 14.647 -0.872 -9.849 1.00 73.32 N ATOM 763 CA SER A 54 15.140 0.004 -10.902 1.00 71.50 C ATOM 764 C SER A 54 15.958 1.156 -10.303 1.00 62.14 C ATOM 765 O SER A 54 17.085 1.406 -10.735 1.00 1.11 O ATOM 766 CB SER A 54 13.978 0.530 -11.758 1.00 23.42 C ATOM 767 OG SER A 54 13.152 -0.504 -12.274 1.00 41.04 O ATOM 0 H SER A 54 13.643 -1.044 -9.897 1.00 73.32 H new ATOM 0 HA SER A 54 15.798 -0.571 -11.553 1.00 71.50 H new ATOM 0 HB2 SER A 54 13.370 1.207 -11.158 1.00 23.42 H new ATOM 0 HB3 SER A 54 14.380 1.113 -12.587 1.00 23.42 H new ATOM 0 HG SER A 54 12.672 -0.938 -11.538 1.00 41.04 H new ATOM 773 N LEU A 55 15.398 1.867 -9.320 1.00 51.22 N ATOM 774 CA LEU A 55 16.049 2.998 -8.663 1.00 13.44 C ATOM 775 C LEU A 55 17.106 2.575 -7.641 1.00 45.33 C ATOM 776 O LEU A 55 18.215 3.119 -7.635 1.00 51.44 O ATOM 777 CB LEU A 55 14.992 3.891 -7.988 1.00 42.21 C ATOM 778 CG LEU A 55 14.241 4.871 -8.909 1.00 64.34 C ATOM 779 CD1 LEU A 55 15.180 5.888 -9.567 1.00 62.21 C ATOM 780 CD2 LEU A 55 13.415 4.194 -10.005 1.00 31.43 C ATOM 0 H LEU A 55 14.467 1.668 -8.955 1.00 51.22 H new ATOM 0 HA LEU A 55 16.571 3.555 -9.441 1.00 13.44 H new ATOM 0 HB2 LEU A 55 14.259 3.247 -7.503 1.00 42.21 H new ATOM 0 HB3 LEU A 55 15.481 4.466 -7.202 1.00 42.21 H new ATOM 0 HG LEU A 55 13.552 5.381 -8.236 1.00 64.34 H new ATOM 0 HD11 LEU A 55 14.603 6.556 -10.206 1.00 62.21 H new ATOM 0 HD12 LEU A 55 15.684 6.470 -8.795 1.00 62.21 H new ATOM 0 HD13 LEU A 55 15.922 5.362 -10.168 1.00 62.21 H new ATOM 0 HD21 LEU A 55 12.919 4.954 -10.608 1.00 31.43 H new ATOM 0 HD22 LEU A 55 14.071 3.598 -10.640 1.00 31.43 H new ATOM 0 HD23 LEU A 55 12.666 3.547 -9.549 1.00 31.43 H new ATOM 792 N ALA A 56 16.775 1.623 -6.773 1.00 12.42 N ATOM 793 CA ALA A 56 17.632 1.099 -5.717 1.00 41.13 C ATOM 794 C ALA A 56 18.963 0.609 -6.271 1.00 20.43 C ATOM 795 O ALA A 56 19.996 0.851 -5.643 1.00 72.13 O ATOM 796 CB ALA A 56 16.912 -0.017 -4.954 1.00 43.34 C ATOM 0 H ALA A 56 15.858 1.176 -6.789 1.00 12.42 H new ATOM 0 HA ALA A 56 17.848 1.911 -5.023 1.00 41.13 H new ATOM 0 HB1 ALA A 56 17.563 -0.399 -4.168 1.00 43.34 H new ATOM 0 HB2 ALA A 56 15.999 0.377 -4.508 1.00 43.34 H new ATOM 0 HB3 ALA A 56 16.661 -0.824 -5.642 1.00 43.34 H new ATOM 802 N ALA A 57 18.963 -0.024 -7.450 1.00 30.01 N ATOM 803 CA ALA A 57 20.186 -0.511 -8.072 1.00 72.35 C ATOM 804 C ALA A 57 21.144 0.648 -8.352 1.00 10.21 C ATOM 805 O ALA A 57 22.351 0.446 -8.331 1.00 31.41 O ATOM 806 CB ALA A 57 19.861 -1.270 -9.355 1.00 53.02 C ATOM 0 H ALA A 57 18.119 -0.209 -7.991 1.00 30.01 H new ATOM 0 HA ALA A 57 20.678 -1.197 -7.383 1.00 72.35 H new ATOM 0 HB1 ALA A 57 20.785 -1.628 -9.810 1.00 53.02 H new ATOM 0 HB2 ALA A 57 19.218 -2.119 -9.123 1.00 53.02 H new ATOM 0 HB3 ALA A 57 19.348 -0.606 -10.051 1.00 53.02 H new ATOM 812 N GLN A 58 20.640 1.855 -8.631 1.00 51.14 N ATOM 813 CA GLN A 58 21.484 3.021 -8.880 1.00 52.11 C ATOM 814 C GLN A 58 21.851 3.710 -7.558 1.00 54.05 C ATOM 815 O GLN A 58 22.678 4.617 -7.566 1.00 12.42 O ATOM 816 CB GLN A 58 20.774 4.034 -9.794 1.00 73.25 C ATOM 817 CG GLN A 58 20.225 3.464 -11.110 1.00 32.45 C ATOM 818 CD GLN A 58 21.256 2.724 -11.961 1.00 71.15 C ATOM 819 OE1 GLN A 58 20.990 1.622 -12.432 1.00 31.54 O ATOM 820 NE2 GLN A 58 22.407 3.304 -12.255 1.00 74.25 N ATOM 0 H GLN A 58 19.640 2.047 -8.690 1.00 51.14 H new ATOM 0 HA GLN A 58 22.390 2.671 -9.375 1.00 52.11 H new ATOM 0 HB2 GLN A 58 19.949 4.481 -9.240 1.00 73.25 H new ATOM 0 HB3 GLN A 58 21.473 4.837 -10.029 1.00 73.25 H new ATOM 0 HG2 GLN A 58 19.405 2.783 -10.882 1.00 32.45 H new ATOM 0 HG3 GLN A 58 19.807 4.281 -11.698 1.00 32.45 H new ATOM 0 HE21 GLN A 58 22.631 4.220 -11.865 1.00 74.25 H new ATOM 0 HE22 GLN A 58 23.071 2.836 -12.872 1.00 74.25 H new ATOM 829 N GLY A 59 21.197 3.359 -6.441 1.00 63.20 N ATOM 830 CA GLY A 59 21.471 3.944 -5.135 1.00 62.33 C ATOM 831 C GLY A 59 20.965 5.381 -5.052 1.00 1.14 C ATOM 832 O GLY A 59 21.605 6.224 -4.423 1.00 43.25 O ATOM 0 H GLY A 59 20.459 2.655 -6.426 1.00 63.20 H new ATOM 0 HA2 GLY A 59 20.996 3.344 -4.359 1.00 62.33 H new ATOM 0 HA3 GLY A 59 22.544 3.923 -4.943 1.00 62.33 H new ATOM 836 N ARG A 60 19.856 5.706 -5.729 1.00 65.10 N ATOM 837 CA ARG A 60 19.309 7.058 -5.732 1.00 23.33 C ATOM 838 C ARG A 60 17.792 6.980 -5.846 1.00 54.22 C ATOM 839 O ARG A 60 17.286 6.381 -6.792 1.00 10.24 O ATOM 840 CB ARG A 60 19.964 7.814 -6.897 1.00 40.42 C ATOM 841 CG ARG A 60 19.664 9.317 -6.912 1.00 35.25 C ATOM 842 CD ARG A 60 20.707 10.076 -7.740 1.00 43.42 C ATOM 843 NE ARG A 60 21.991 10.191 -7.021 1.00 63.22 N ATOM 844 CZ ARG A 60 22.997 11.020 -7.317 1.00 54.43 C ATOM 845 NH1 ARG A 60 22.901 11.862 -8.341 1.00 51.11 N ATOM 846 NH2 ARG A 60 24.098 11.014 -6.578 1.00 72.32 N ATOM 0 H ARG A 60 19.320 5.040 -6.285 1.00 65.10 H new ATOM 0 HA ARG A 60 19.525 7.597 -4.809 1.00 23.33 H new ATOM 0 HB2 ARG A 60 21.043 7.670 -6.849 1.00 40.42 H new ATOM 0 HB3 ARG A 60 19.625 7.377 -7.836 1.00 40.42 H new ATOM 0 HG2 ARG A 60 18.670 9.489 -7.326 1.00 35.25 H new ATOM 0 HG3 ARG A 60 19.655 9.700 -5.892 1.00 35.25 H new ATOM 0 HD2 ARG A 60 20.865 9.562 -8.688 1.00 43.42 H new ATOM 0 HD3 ARG A 60 20.331 11.071 -7.976 1.00 43.42 H new ATOM 0 HE ARG A 60 22.124 9.576 -6.218 1.00 63.22 H new ATOM 0 HH11 ARG A 60 22.054 11.880 -8.909 1.00 51.11 H new ATOM 0 HH12 ARG A 60 23.674 12.491 -8.559 1.00 51.11 H new ATOM 0 HH21 ARG A 60 24.176 10.377 -5.785 1.00 72.32 H new ATOM 0 HH22 ARG A 60 24.866 11.646 -6.803 1.00 72.32 H new ATOM 860 N THR A 61 17.078 7.625 -4.931 1.00 43.41 N ATOM 861 CA THR A 61 15.628 7.650 -4.853 1.00 32.14 C ATOM 862 C THR A 61 15.128 9.047 -4.476 1.00 42.22 C ATOM 863 O THR A 61 15.052 9.366 -3.288 1.00 64.43 O ATOM 864 CB THR A 61 15.162 6.584 -3.827 1.00 61.12 C ATOM 865 OG1 THR A 61 16.087 6.402 -2.764 1.00 12.33 O ATOM 866 CG2 THR A 61 14.990 5.210 -4.477 1.00 0.31 C ATOM 0 H THR A 61 17.518 8.170 -4.190 1.00 43.41 H new ATOM 0 HA THR A 61 15.204 7.412 -5.829 1.00 32.14 H new ATOM 0 HB THR A 61 14.215 6.967 -3.445 1.00 61.12 H new ATOM 0 HG1 THR A 61 15.599 6.295 -1.921 1.00 12.33 H new ATOM 0 HG21 THR A 61 14.663 4.491 -3.726 1.00 0.31 H new ATOM 0 HG22 THR A 61 14.244 5.273 -5.269 1.00 0.31 H new ATOM 0 HG23 THR A 61 15.941 4.886 -4.900 1.00 0.31 H new ATOM 874 N SER A 62 14.812 9.904 -5.461 1.00 72.11 N ATOM 875 CA SER A 62 14.293 11.250 -5.194 1.00 33.15 C ATOM 876 C SER A 62 13.016 11.091 -4.355 1.00 54.53 C ATOM 877 O SER A 62 12.249 10.160 -4.606 1.00 60.40 O ATOM 878 CB SER A 62 13.986 12.003 -6.506 1.00 13.23 C ATOM 879 OG SER A 62 13.200 13.162 -6.296 1.00 41.02 O ATOM 0 H SER A 62 14.909 9.684 -6.452 1.00 72.11 H new ATOM 0 HA SER A 62 15.039 11.838 -4.658 1.00 33.15 H new ATOM 0 HB2 SER A 62 14.923 12.286 -6.986 1.00 13.23 H new ATOM 0 HB3 SER A 62 13.465 11.334 -7.191 1.00 13.23 H new ATOM 0 HG SER A 62 13.034 13.605 -7.154 1.00 41.02 H new ATOM 885 N PRO A 63 12.725 11.991 -3.403 1.00 24.21 N ATOM 886 CA PRO A 63 11.537 11.896 -2.565 1.00 21.11 C ATOM 887 C PRO A 63 10.268 12.001 -3.409 1.00 14.24 C ATOM 888 O PRO A 63 9.240 11.421 -3.064 1.00 54.32 O ATOM 889 CB PRO A 63 11.668 13.033 -1.544 1.00 34.25 C ATOM 890 CG PRO A 63 12.572 14.033 -2.254 1.00 61.22 C ATOM 891 CD PRO A 63 13.524 13.137 -3.026 1.00 73.04 C ATOM 0 HA PRO A 63 11.460 10.934 -2.057 1.00 21.11 H new ATOM 0 HB2 PRO A 63 10.699 13.468 -1.299 1.00 34.25 H new ATOM 0 HB3 PRO A 63 12.107 12.686 -0.609 1.00 34.25 H new ATOM 0 HG2 PRO A 63 12.007 14.689 -2.916 1.00 61.22 H new ATOM 0 HG3 PRO A 63 13.101 14.672 -1.547 1.00 61.22 H new ATOM 0 HD2 PRO A 63 13.924 13.646 -3.903 1.00 73.04 H new ATOM 0 HD3 PRO A 63 14.375 12.842 -2.413 1.00 73.04 H new ATOM 899 N ASN A 64 10.331 12.733 -4.525 1.00 55.54 N ATOM 900 CA ASN A 64 9.202 12.908 -5.421 1.00 43.14 C ATOM 901 C ASN A 64 8.830 11.557 -6.038 1.00 40.32 C ATOM 902 O ASN A 64 7.705 11.090 -5.879 1.00 52.20 O ATOM 903 CB ASN A 64 9.573 13.950 -6.487 1.00 74.22 C ATOM 904 CG ASN A 64 8.579 14.050 -7.639 1.00 23.33 C ATOM 905 OD1 ASN A 64 8.998 14.314 -8.764 1.00 0.50 O ATOM 906 ND2 ASN A 64 7.289 13.888 -7.408 1.00 44.13 N ATOM 0 H ASN A 64 11.175 13.220 -4.827 1.00 55.54 H new ATOM 0 HA ASN A 64 8.328 13.273 -4.881 1.00 43.14 H new ATOM 0 HB2 ASN A 64 9.658 14.926 -6.010 1.00 74.22 H new ATOM 0 HB3 ASN A 64 10.556 13.706 -6.891 1.00 74.22 H new ATOM 0 HD21 ASN A 64 6.619 13.982 -8.171 1.00 44.13 H new ATOM 0 HD22 ASN A 64 6.963 13.669 -6.467 1.00 44.13 H new ATOM 913 N LYS A 65 9.784 10.905 -6.718 1.00 52.30 N ATOM 914 CA LYS A 65 9.522 9.607 -7.341 1.00 22.12 C ATOM 915 C LYS A 65 9.247 8.528 -6.292 1.00 71.00 C ATOM 916 O LYS A 65 8.410 7.665 -6.535 1.00 40.23 O ATOM 917 CB LYS A 65 10.647 9.213 -8.313 1.00 2.51 C ATOM 918 CG LYS A 65 11.965 8.801 -7.643 1.00 61.35 C ATOM 919 CD LYS A 65 13.044 8.385 -8.646 1.00 3.53 C ATOM 920 CE LYS A 65 13.546 9.583 -9.457 1.00 72.15 C ATOM 921 NZ LYS A 65 14.593 9.223 -10.432 1.00 50.20 N ATOM 0 H LYS A 65 10.734 11.254 -6.848 1.00 52.30 H new ATOM 0 HA LYS A 65 8.614 9.700 -7.937 1.00 22.12 H new ATOM 0 HB2 LYS A 65 10.298 8.388 -8.934 1.00 2.51 H new ATOM 0 HB3 LYS A 65 10.842 10.053 -8.980 1.00 2.51 H new ATOM 0 HG2 LYS A 65 12.336 9.632 -7.043 1.00 61.35 H new ATOM 0 HG3 LYS A 65 11.775 7.974 -6.959 1.00 61.35 H new ATOM 0 HD2 LYS A 65 13.879 7.928 -8.115 1.00 3.53 H new ATOM 0 HD3 LYS A 65 12.643 7.629 -9.321 1.00 3.53 H new ATOM 0 HE2 LYS A 65 12.706 10.035 -9.985 1.00 72.15 H new ATOM 0 HE3 LYS A 65 13.937 10.338 -8.775 1.00 72.15 H new ATOM 0 HZ1 LYS A 65 14.892 10.074 -10.950 1.00 50.20 H new ATOM 0 HZ2 LYS A 65 15.409 8.817 -9.931 1.00 50.20 H new ATOM 0 HZ3 LYS A 65 14.216 8.524 -11.103 1.00 50.20 H new ATOM 935 N LEU A 66 9.902 8.593 -5.128 1.00 40.15 N ATOM 936 CA LEU A 66 9.740 7.644 -4.034 1.00 31.43 C ATOM 937 C LEU A 66 8.289 7.672 -3.543 1.00 33.44 C ATOM 938 O LEU A 66 7.677 6.619 -3.363 1.00 23.02 O ATOM 939 CB LEU A 66 10.764 7.980 -2.935 1.00 62.45 C ATOM 940 CG LEU A 66 10.855 6.974 -1.778 1.00 53.04 C ATOM 941 CD1 LEU A 66 11.365 5.611 -2.257 1.00 52.53 C ATOM 942 CD2 LEU A 66 11.815 7.521 -0.718 1.00 11.14 C ATOM 0 H LEU A 66 10.577 9.329 -4.920 1.00 40.15 H new ATOM 0 HA LEU A 66 9.936 6.623 -4.360 1.00 31.43 H new ATOM 0 HB2 LEU A 66 11.748 8.066 -3.395 1.00 62.45 H new ATOM 0 HB3 LEU A 66 10.519 8.959 -2.523 1.00 62.45 H new ATOM 0 HG LEU A 66 9.856 6.838 -1.364 1.00 53.04 H new ATOM 0 HD11 LEU A 66 11.417 4.924 -1.412 1.00 52.53 H new ATOM 0 HD12 LEU A 66 10.684 5.211 -3.008 1.00 52.53 H new ATOM 0 HD13 LEU A 66 12.358 5.726 -2.692 1.00 52.53 H new ATOM 0 HD21 LEU A 66 11.886 6.813 0.108 1.00 11.14 H new ATOM 0 HD22 LEU A 66 12.801 7.664 -1.159 1.00 11.14 H new ATOM 0 HD23 LEU A 66 11.442 8.476 -0.347 1.00 11.14 H new ATOM 954 N GLN A 67 7.716 8.866 -3.371 1.00 54.35 N ATOM 955 CA GLN A 67 6.338 9.056 -2.930 1.00 32.42 C ATOM 956 C GLN A 67 5.352 8.526 -3.975 1.00 35.41 C ATOM 957 O GLN A 67 4.268 8.059 -3.612 1.00 45.14 O ATOM 958 CB GLN A 67 6.108 10.549 -2.668 1.00 43.31 C ATOM 959 CG GLN A 67 4.695 10.890 -2.179 1.00 24.31 C ATOM 960 CD GLN A 67 4.579 12.386 -1.930 1.00 12.10 C ATOM 961 OE1 GLN A 67 4.134 13.139 -2.795 1.00 21.44 O ATOM 962 NE2 GLN A 67 4.976 12.855 -0.762 1.00 4.32 N ATOM 0 H GLN A 67 8.209 9.743 -3.539 1.00 54.35 H new ATOM 0 HA GLN A 67 6.168 8.494 -2.011 1.00 32.42 H new ATOM 0 HB2 GLN A 67 6.830 10.892 -1.927 1.00 43.31 H new ATOM 0 HB3 GLN A 67 6.306 11.102 -3.586 1.00 43.31 H new ATOM 0 HG2 GLN A 67 3.959 10.578 -2.920 1.00 24.31 H new ATOM 0 HG3 GLN A 67 4.476 10.342 -1.262 1.00 24.31 H new ATOM 0 HE21 GLN A 67 5.343 12.218 -0.055 1.00 4.32 H new ATOM 0 HE22 GLN A 67 4.916 13.854 -0.567 1.00 4.32 H new ATOM 971 N ALA A 68 5.698 8.592 -5.268 1.00 5.24 N ATOM 972 CA ALA A 68 4.827 8.111 -6.332 1.00 4.44 C ATOM 973 C ALA A 68 4.486 6.631 -6.158 1.00 0.43 C ATOM 974 O ALA A 68 3.436 6.212 -6.633 1.00 25.15 O ATOM 975 CB ALA A 68 5.429 8.392 -7.712 1.00 35.34 C ATOM 0 H ALA A 68 6.583 8.978 -5.597 1.00 5.24 H new ATOM 0 HA ALA A 68 3.891 8.665 -6.263 1.00 4.44 H new ATOM 0 HB1 ALA A 68 4.756 8.021 -8.485 1.00 35.34 H new ATOM 0 HB2 ALA A 68 5.568 9.466 -7.836 1.00 35.34 H new ATOM 0 HB3 ALA A 68 6.392 7.889 -7.798 1.00 35.34 H new ATOM 981 N LEU A 69 5.318 5.836 -5.475 1.00 24.11 N ATOM 982 CA LEU A 69 5.032 4.423 -5.261 1.00 35.12 C ATOM 983 C LEU A 69 3.828 4.276 -4.328 1.00 32.41 C ATOM 984 O LEU A 69 2.964 3.439 -4.595 1.00 0.50 O ATOM 985 CB LEU A 69 6.249 3.677 -4.705 1.00 73.22 C ATOM 986 CG LEU A 69 7.305 3.369 -5.780 1.00 41.52 C ATOM 987 CD1 LEU A 69 8.138 4.571 -6.231 1.00 1.55 C ATOM 988 CD2 LEU A 69 8.266 2.310 -5.258 1.00 32.21 C ATOM 0 H LEU A 69 6.195 6.153 -5.062 1.00 24.11 H new ATOM 0 HA LEU A 69 4.794 3.972 -6.224 1.00 35.12 H new ATOM 0 HB2 LEU A 69 6.705 4.274 -3.915 1.00 73.22 H new ATOM 0 HB3 LEU A 69 5.919 2.744 -4.249 1.00 73.22 H new ATOM 0 HG LEU A 69 6.737 3.032 -6.647 1.00 41.52 H new ATOM 0 HD11 LEU A 69 8.854 4.254 -6.989 1.00 1.55 H new ATOM 0 HD12 LEU A 69 7.480 5.333 -6.649 1.00 1.55 H new ATOM 0 HD13 LEU A 69 8.674 4.983 -5.376 1.00 1.55 H new ATOM 0 HD21 LEU A 69 9.015 2.091 -6.019 1.00 32.21 H new ATOM 0 HD22 LEU A 69 8.760 2.678 -4.359 1.00 32.21 H new ATOM 0 HD23 LEU A 69 7.713 1.401 -5.022 1.00 32.21 H new ATOM 1000 N ASN A 70 3.746 5.094 -3.269 1.00 13.43 N ATOM 1001 CA ASN A 70 2.627 5.064 -2.322 1.00 44.25 C ATOM 1002 C ASN A 70 1.359 5.373 -3.112 1.00 51.42 C ATOM 1003 O ASN A 70 0.351 4.680 -2.977 1.00 30.44 O ATOM 1004 CB ASN A 70 2.742 6.123 -1.198 1.00 72.13 C ATOM 1005 CG ASN A 70 3.865 5.901 -0.198 1.00 62.32 C ATOM 1006 OD1 ASN A 70 4.981 5.569 -0.580 1.00 53.41 O ATOM 1007 ND2 ASN A 70 3.633 6.146 1.082 1.00 12.50 N ATOM 0 H ASN A 70 4.454 5.794 -3.047 1.00 13.43 H new ATOM 0 HA ASN A 70 2.620 4.082 -1.848 1.00 44.25 H new ATOM 0 HB2 ASN A 70 2.878 7.102 -1.658 1.00 72.13 H new ATOM 0 HB3 ASN A 70 1.797 6.154 -0.655 1.00 72.13 H new ATOM 0 HD21 ASN A 70 4.388 6.059 1.763 1.00 12.50 H new ATOM 0 HD22 ASN A 70 2.700 6.422 1.387 1.00 12.50 H new ATOM 1014 N MET A 71 1.413 6.430 -3.928 1.00 75.21 N ATOM 1015 CA MET A 71 0.287 6.864 -4.744 1.00 11.14 C ATOM 1016 C MET A 71 -0.093 5.792 -5.769 1.00 21.53 C ATOM 1017 O MET A 71 -1.272 5.541 -5.991 1.00 44.21 O ATOM 1018 CB MET A 71 0.590 8.213 -5.412 1.00 44.42 C ATOM 1019 CG MET A 71 0.875 9.304 -4.370 1.00 55.05 C ATOM 1020 SD MET A 71 0.970 11.009 -4.987 1.00 71.40 S ATOM 1021 CE MET A 71 2.420 10.935 -6.068 1.00 25.23 C ATOM 0 H MET A 71 2.246 7.008 -4.038 1.00 75.21 H new ATOM 0 HA MET A 71 -0.576 7.007 -4.094 1.00 11.14 H new ATOM 0 HB2 MET A 71 1.449 8.108 -6.075 1.00 44.42 H new ATOM 0 HB3 MET A 71 -0.256 8.512 -6.032 1.00 44.42 H new ATOM 0 HG2 MET A 71 0.097 9.260 -3.608 1.00 55.05 H new ATOM 0 HG3 MET A 71 1.818 9.067 -3.877 1.00 55.05 H new ATOM 0 HE1 MET A 71 2.551 11.895 -6.567 1.00 25.23 H new ATOM 0 HE2 MET A 71 3.306 10.711 -5.474 1.00 25.23 H new ATOM 0 HE3 MET A 71 2.278 10.154 -6.815 1.00 25.23 H new ATOM 1031 N ALA A 72 0.877 5.116 -6.387 1.00 23.35 N ATOM 1032 CA ALA A 72 0.604 4.075 -7.365 1.00 21.12 C ATOM 1033 C ALA A 72 -0.187 2.932 -6.724 1.00 2.11 C ATOM 1034 O ALA A 72 -1.209 2.506 -7.264 1.00 2.21 O ATOM 1035 CB ALA A 72 1.912 3.566 -7.972 1.00 40.03 C ATOM 0 H ALA A 72 1.870 5.278 -6.220 1.00 23.35 H new ATOM 0 HA ALA A 72 -0.004 4.495 -8.167 1.00 21.12 H new ATOM 0 HB1 ALA A 72 1.695 2.787 -8.703 1.00 40.03 H new ATOM 0 HB2 ALA A 72 2.430 4.390 -8.463 1.00 40.03 H new ATOM 0 HB3 ALA A 72 2.544 3.158 -7.184 1.00 40.03 H new ATOM 1041 N PHE A 73 0.287 2.469 -5.567 1.00 10.31 N ATOM 1042 CA PHE A 73 -0.287 1.392 -4.780 1.00 23.15 C ATOM 1043 C PHE A 73 -1.732 1.692 -4.387 1.00 50.23 C ATOM 1044 O PHE A 73 -2.634 0.920 -4.719 1.00 3.23 O ATOM 1045 CB PHE A 73 0.609 1.186 -3.546 1.00 33.54 C ATOM 1046 CG PHE A 73 0.084 0.276 -2.447 1.00 11.41 C ATOM 1047 CD1 PHE A 73 0.292 0.632 -1.099 1.00 54.53 C ATOM 1048 CD2 PHE A 73 -0.537 -0.951 -2.751 1.00 41.32 C ATOM 1049 CE1 PHE A 73 -0.055 -0.255 -0.067 1.00 73.13 C ATOM 1050 CE2 PHE A 73 -0.895 -1.833 -1.716 1.00 53.04 C ATOM 1051 CZ PHE A 73 -0.629 -1.499 -0.378 1.00 42.41 C ATOM 0 H PHE A 73 1.125 2.859 -5.137 1.00 10.31 H new ATOM 0 HA PHE A 73 -0.323 0.476 -5.369 1.00 23.15 H new ATOM 0 HB2 PHE A 73 1.565 0.787 -3.886 1.00 33.54 H new ATOM 0 HB3 PHE A 73 0.809 2.164 -3.108 1.00 33.54 H new ATOM 0 HD1 PHE A 73 0.721 1.593 -0.858 1.00 54.53 H new ATOM 0 HD2 PHE A 73 -0.738 -1.214 -3.779 1.00 41.32 H new ATOM 0 HE1 PHE A 73 0.119 0.019 0.963 1.00 73.13 H new ATOM 0 HE2 PHE A 73 -1.376 -2.771 -1.951 1.00 53.04 H new ATOM 0 HZ PHE A 73 -0.865 -2.198 0.411 1.00 42.41 H new ATOM 1061 N ALA A 74 -1.959 2.802 -3.677 1.00 54.43 N ATOM 1062 CA ALA A 74 -3.297 3.174 -3.233 1.00 4.40 C ATOM 1063 C ALA A 74 -4.254 3.456 -4.406 1.00 43.54 C ATOM 1064 O ALA A 74 -5.461 3.225 -4.267 1.00 3.52 O ATOM 1065 CB ALA A 74 -3.216 4.307 -2.209 1.00 61.43 C ATOM 0 H ALA A 74 -1.228 3.457 -3.399 1.00 54.43 H new ATOM 0 HA ALA A 74 -3.744 2.319 -2.726 1.00 4.40 H new ATOM 0 HB1 ALA A 74 -4.221 4.577 -1.884 1.00 61.43 H new ATOM 0 HB2 ALA A 74 -2.633 3.979 -1.349 1.00 61.43 H new ATOM 0 HB3 ALA A 74 -2.737 5.174 -2.663 1.00 61.43 H new ATOM 1071 N SER A 75 -3.753 3.907 -5.562 1.00 10.13 N ATOM 1072 CA SER A 75 -4.582 4.177 -6.732 1.00 65.54 C ATOM 1073 C SER A 75 -5.138 2.842 -7.238 1.00 50.04 C ATOM 1074 O SER A 75 -6.347 2.711 -7.442 1.00 60.51 O ATOM 1075 CB SER A 75 -3.747 4.920 -7.787 1.00 32.41 C ATOM 1076 OG SER A 75 -4.504 5.577 -8.781 1.00 11.43 O ATOM 0 H SER A 75 -2.761 4.094 -5.708 1.00 10.13 H new ATOM 0 HA SER A 75 -5.426 4.823 -6.490 1.00 65.54 H new ATOM 0 HB2 SER A 75 -3.119 5.654 -7.283 1.00 32.41 H new ATOM 0 HB3 SER A 75 -3.079 4.207 -8.270 1.00 32.41 H new ATOM 0 HG SER A 75 -5.237 6.073 -8.360 1.00 11.43 H new ATOM 1082 N SER A 76 -4.282 1.831 -7.413 1.00 22.03 N ATOM 1083 CA SER A 76 -4.698 0.513 -7.888 1.00 24.44 C ATOM 1084 C SER A 76 -5.644 -0.142 -6.883 1.00 42.34 C ATOM 1085 O SER A 76 -6.585 -0.827 -7.276 1.00 15.22 O ATOM 1086 CB SER A 76 -3.451 -0.325 -8.162 1.00 64.12 C ATOM 1087 OG SER A 76 -2.591 0.410 -9.022 1.00 40.23 O ATOM 0 H SER A 76 -3.282 1.906 -7.229 1.00 22.03 H new ATOM 0 HA SER A 76 -5.257 0.601 -8.820 1.00 24.44 H new ATOM 0 HB2 SER A 76 -2.941 -0.561 -7.228 1.00 64.12 H new ATOM 0 HB3 SER A 76 -3.726 -1.274 -8.623 1.00 64.12 H new ATOM 0 HG SER A 76 -2.042 1.023 -8.490 1.00 40.23 H new ATOM 1093 N LEU A 77 -5.434 0.098 -5.584 1.00 71.33 N ATOM 1094 CA LEU A 77 -6.286 -0.432 -4.531 1.00 23.14 C ATOM 1095 C LEU A 77 -7.704 0.098 -4.734 1.00 54.21 C ATOM 1096 O LEU A 77 -8.657 -0.669 -4.626 1.00 3.14 O ATOM 1097 CB LEU A 77 -5.754 0.014 -3.158 1.00 32.23 C ATOM 1098 CG LEU A 77 -5.344 -1.139 -2.246 1.00 1.34 C ATOM 1099 CD1 LEU A 77 -4.190 -1.975 -2.786 1.00 65.24 C ATOM 1100 CD2 LEU A 77 -4.905 -0.566 -0.900 1.00 74.22 C ATOM 0 H LEU A 77 -4.662 0.669 -5.239 1.00 71.33 H new ATOM 0 HA LEU A 77 -6.289 -1.521 -4.570 1.00 23.14 H new ATOM 0 HB2 LEU A 77 -4.895 0.668 -3.308 1.00 32.23 H new ATOM 0 HB3 LEU A 77 -6.521 0.605 -2.657 1.00 32.23 H new ATOM 0 HG LEU A 77 -6.214 -1.791 -2.167 1.00 1.34 H new ATOM 0 HD11 LEU A 77 -3.958 -2.774 -2.081 1.00 65.24 H new ATOM 0 HD12 LEU A 77 -4.472 -2.408 -3.745 1.00 65.24 H new ATOM 0 HD13 LEU A 77 -3.313 -1.342 -2.918 1.00 65.24 H new ATOM 0 HD21 LEU A 77 -4.609 -1.379 -0.237 1.00 74.22 H new ATOM 0 HD22 LEU A 77 -4.060 0.106 -1.049 1.00 74.22 H new ATOM 0 HD23 LEU A 77 -5.732 -0.016 -0.452 1.00 74.22 H new ATOM 1112 N ALA A 78 -7.845 1.406 -4.986 1.00 71.53 N ATOM 1113 CA ALA A 78 -9.137 2.038 -5.209 1.00 11.55 C ATOM 1114 C ALA A 78 -9.788 1.517 -6.486 1.00 51.21 C ATOM 1115 O ALA A 78 -10.995 1.298 -6.488 1.00 52.54 O ATOM 1116 CB ALA A 78 -8.970 3.561 -5.287 1.00 22.43 C ATOM 0 H ALA A 78 -7.058 2.052 -5.040 1.00 71.53 H new ATOM 0 HA ALA A 78 -9.787 1.790 -4.370 1.00 11.55 H new ATOM 0 HB1 ALA A 78 -9.942 4.026 -5.454 1.00 22.43 H new ATOM 0 HB2 ALA A 78 -8.548 3.929 -4.352 1.00 22.43 H new ATOM 0 HB3 ALA A 78 -8.302 3.812 -6.111 1.00 22.43 H new ATOM 1122 N GLU A 79 -9.002 1.299 -7.539 1.00 24.13 N ATOM 1123 CA GLU A 79 -9.490 0.815 -8.822 1.00 1.13 C ATOM 1124 C GLU A 79 -10.085 -0.592 -8.675 1.00 40.34 C ATOM 1125 O GLU A 79 -11.277 -0.764 -8.927 1.00 25.04 O ATOM 1126 CB GLU A 79 -8.332 0.934 -9.825 1.00 15.31 C ATOM 1127 CG GLU A 79 -8.685 0.666 -11.292 1.00 63.21 C ATOM 1128 CD GLU A 79 -8.685 -0.822 -11.638 1.00 50.45 C ATOM 1129 OE1 GLU A 79 -9.756 -1.356 -11.998 1.00 74.53 O ATOM 1130 OE2 GLU A 79 -7.601 -1.445 -11.576 1.00 43.44 O ATOM 0 H GLU A 79 -7.994 1.457 -7.521 1.00 24.13 H new ATOM 0 HA GLU A 79 -10.317 1.413 -9.205 1.00 1.13 H new ATOM 0 HB2 GLU A 79 -7.914 1.938 -9.750 1.00 15.31 H new ATOM 0 HB3 GLU A 79 -7.547 0.239 -9.528 1.00 15.31 H new ATOM 0 HG2 GLU A 79 -9.668 1.084 -11.507 1.00 63.21 H new ATOM 0 HG3 GLU A 79 -7.971 1.184 -11.933 1.00 63.21 H new ATOM 1137 N ILE A 80 -9.336 -1.567 -8.146 1.00 31.33 N ATOM 1138 CA ILE A 80 -9.856 -2.929 -7.976 1.00 51.40 C ATOM 1139 C ILE A 80 -11.031 -2.882 -6.983 1.00 64.40 C ATOM 1140 O ILE A 80 -12.034 -3.572 -7.169 1.00 4.10 O ATOM 1141 CB ILE A 80 -8.730 -3.904 -7.528 1.00 34.04 C ATOM 1142 CG1 ILE A 80 -7.552 -3.995 -8.528 1.00 62.31 C ATOM 1143 CG2 ILE A 80 -9.243 -5.330 -7.202 1.00 75.42 C ATOM 1144 CD1 ILE A 80 -7.852 -4.736 -9.837 1.00 61.04 C ATOM 0 H ILE A 80 -8.374 -1.440 -7.830 1.00 31.33 H new ATOM 0 HA ILE A 80 -10.222 -3.315 -8.927 1.00 51.40 H new ATOM 0 HB ILE A 80 -8.356 -3.456 -6.607 1.00 34.04 H new ATOM 0 HG12 ILE A 80 -7.225 -2.984 -8.770 1.00 62.31 H new ATOM 0 HG13 ILE A 80 -6.716 -4.490 -8.034 1.00 62.31 H new ATOM 0 HG21 ILE A 80 -8.405 -5.957 -6.897 1.00 75.42 H new ATOM 0 HG22 ILE A 80 -9.972 -5.278 -6.393 1.00 75.42 H new ATOM 0 HG23 ILE A 80 -9.713 -5.759 -8.087 1.00 75.42 H new ATOM 0 HD11 ILE A 80 -6.961 -4.742 -10.464 1.00 61.04 H new ATOM 0 HD12 ILE A 80 -8.146 -5.762 -9.615 1.00 61.04 H new ATOM 0 HD13 ILE A 80 -8.663 -4.232 -10.363 1.00 61.04 H new ATOM 1156 N ALA A 81 -10.940 -2.059 -5.930 1.00 53.54 N ATOM 1157 CA ALA A 81 -11.989 -1.952 -4.927 1.00 33.23 C ATOM 1158 C ALA A 81 -13.309 -1.392 -5.452 1.00 53.34 C ATOM 1159 O ALA A 81 -14.355 -1.796 -4.941 1.00 64.14 O ATOM 1160 CB ALA A 81 -11.525 -1.089 -3.747 1.00 42.43 C ATOM 0 H ALA A 81 -10.137 -1.454 -5.757 1.00 53.54 H new ATOM 0 HA ALA A 81 -12.179 -2.978 -4.611 1.00 33.23 H new ATOM 0 HB1 ALA A 81 -12.324 -1.022 -3.009 1.00 42.43 H new ATOM 0 HB2 ALA A 81 -10.645 -1.541 -3.289 1.00 42.43 H new ATOM 0 HB3 ALA A 81 -11.275 -0.090 -4.103 1.00 42.43 H new ATOM 1166 N ALA A 82 -13.290 -0.462 -6.408 1.00 61.30 N ATOM 1167 CA ALA A 82 -14.502 0.142 -6.949 1.00 72.12 C ATOM 1168 C ALA A 82 -15.230 -0.743 -7.963 1.00 33.03 C ATOM 1169 O ALA A 82 -16.449 -0.633 -8.100 1.00 34.03 O ATOM 1170 CB ALA A 82 -14.134 1.479 -7.599 1.00 32.03 C ATOM 0 H ALA A 82 -12.431 -0.108 -6.828 1.00 61.30 H new ATOM 0 HA ALA A 82 -15.193 0.281 -6.118 1.00 72.12 H new ATOM 0 HB1 ALA A 82 -15.031 1.943 -8.009 1.00 32.03 H new ATOM 0 HB2 ALA A 82 -13.693 2.138 -6.851 1.00 32.03 H new ATOM 0 HB3 ALA A 82 -13.415 1.308 -8.401 1.00 32.03 H new ATOM 1176 N SER A 83 -14.519 -1.630 -8.654 1.00 3.14 N ATOM 1177 CA SER A 83 -15.075 -2.517 -9.665 1.00 72.54 C ATOM 1178 C SER A 83 -16.174 -3.455 -9.148 1.00 62.14 C ATOM 1179 O SER A 83 -16.412 -3.586 -7.947 1.00 71.34 O ATOM 1180 CB SER A 83 -13.911 -3.291 -10.281 1.00 71.13 C ATOM 1181 OG SER A 83 -13.015 -2.356 -10.844 1.00 42.40 O ATOM 0 H SER A 83 -13.515 -1.753 -8.521 1.00 3.14 H new ATOM 0 HA SER A 83 -15.585 -1.911 -10.414 1.00 72.54 H new ATOM 0 HB2 SER A 83 -13.409 -3.891 -9.522 1.00 71.13 H new ATOM 0 HB3 SER A 83 -14.273 -3.980 -11.045 1.00 71.13 H new ATOM 0 HG SER A 83 -12.428 -2.002 -10.143 1.00 42.40 H new ATOM 1187 N GLU A 84 -16.872 -4.112 -10.074 1.00 34.20 N ATOM 1188 CA GLU A 84 -17.950 -5.055 -9.766 1.00 51.23 C ATOM 1189 C GLU A 84 -17.430 -6.378 -9.173 1.00 23.24 C ATOM 1190 O GLU A 84 -18.193 -7.201 -8.662 1.00 72.44 O ATOM 1191 CB GLU A 84 -18.835 -5.276 -10.992 1.00 31.33 C ATOM 1192 CG GLU A 84 -17.976 -5.852 -12.105 1.00 14.43 C ATOM 1193 CD GLU A 84 -18.753 -6.447 -13.270 1.00 1.24 C ATOM 1194 OE1 GLU A 84 -19.881 -6.961 -13.076 1.00 13.34 O ATOM 1195 OE2 GLU A 84 -18.144 -6.547 -14.355 1.00 13.22 O ATOM 0 H GLU A 84 -16.703 -4.003 -11.074 1.00 34.20 H new ATOM 0 HA GLU A 84 -18.565 -4.607 -8.985 1.00 51.23 H new ATOM 0 HB2 GLU A 84 -19.652 -5.957 -10.752 1.00 31.33 H new ATOM 0 HB3 GLU A 84 -19.286 -4.336 -11.309 1.00 31.33 H new ATOM 0 HG2 GLU A 84 -17.324 -5.065 -12.486 1.00 14.43 H new ATOM 0 HG3 GLU A 84 -17.332 -6.624 -11.685 1.00 14.43 H new ATOM 1202 N GLU A 85 -16.133 -6.636 -9.305 1.00 52.24 N ATOM 1203 CA GLU A 85 -15.450 -7.817 -8.802 1.00 42.43 C ATOM 1204 C GLU A 85 -15.091 -7.584 -7.332 1.00 2.41 C ATOM 1205 O GLU A 85 -15.113 -6.443 -6.864 1.00 41.34 O ATOM 1206 CB GLU A 85 -14.240 -8.129 -9.691 1.00 63.52 C ATOM 1207 CG GLU A 85 -13.307 -6.931 -9.919 1.00 64.35 C ATOM 1208 CD GLU A 85 -12.200 -7.300 -10.897 1.00 13.40 C ATOM 1209 OE1 GLU A 85 -12.210 -6.782 -12.041 1.00 22.31 O ATOM 1210 OE2 GLU A 85 -11.347 -8.143 -10.563 1.00 75.24 O ATOM 0 H GLU A 85 -15.503 -5.996 -9.788 1.00 52.24 H new ATOM 0 HA GLU A 85 -16.091 -8.698 -8.842 1.00 42.43 H new ATOM 0 HB2 GLU A 85 -13.669 -8.940 -9.239 1.00 63.52 H new ATOM 0 HB3 GLU A 85 -14.595 -8.489 -10.657 1.00 63.52 H new ATOM 0 HG2 GLU A 85 -13.877 -6.087 -10.306 1.00 64.35 H new ATOM 0 HG3 GLU A 85 -12.873 -6.614 -8.971 1.00 64.35 H new ATOM 1217 N GLY A 86 -14.791 -8.661 -6.599 1.00 64.24 N ATOM 1218 CA GLY A 86 -14.449 -8.603 -5.188 1.00 1.54 C ATOM 1219 C GLY A 86 -15.703 -8.311 -4.373 1.00 54.21 C ATOM 1220 O GLY A 86 -16.273 -7.221 -4.462 1.00 4.14 O ATOM 0 H GLY A 86 -14.781 -9.607 -6.981 1.00 64.24 H new ATOM 0 HA2 GLY A 86 -14.008 -9.548 -4.871 1.00 1.54 H new ATOM 0 HA3 GLY A 86 -13.702 -7.828 -5.016 1.00 1.54 H new ATOM 1224 N GLY A 87 -16.194 -9.274 -3.593 1.00 51.42 N ATOM 1225 CA GLY A 87 -17.390 -9.030 -2.793 1.00 21.41 C ATOM 1226 C GLY A 87 -17.147 -7.915 -1.772 1.00 54.14 C ATOM 1227 O GLY A 87 -16.001 -7.582 -1.456 1.00 51.02 O ATOM 0 H GLY A 87 -15.793 -10.207 -3.500 1.00 51.42 H new ATOM 0 HA2 GLY A 87 -18.219 -8.757 -3.446 1.00 21.41 H new ATOM 0 HA3 GLY A 87 -17.679 -9.945 -2.276 1.00 21.41 H new ATOM 1231 N GLY A 88 -18.232 -7.360 -1.244 1.00 63.22 N ATOM 1232 CA GLY A 88 -18.222 -6.296 -0.262 1.00 32.42 C ATOM 1233 C GLY A 88 -18.150 -4.925 -0.907 1.00 4.40 C ATOM 1234 O GLY A 88 -17.426 -4.698 -1.880 1.00 72.52 O ATOM 0 H GLY A 88 -19.174 -7.653 -1.501 1.00 63.22 H new ATOM 0 HA2 GLY A 88 -19.121 -6.361 0.351 1.00 32.42 H new ATOM 0 HA3 GLY A 88 -17.370 -6.427 0.406 1.00 32.42 H new ATOM 1238 N SER A 89 -18.920 -4.009 -0.329 1.00 44.12 N ATOM 1239 CA SER A 89 -19.017 -2.631 -0.762 1.00 25.22 C ATOM 1240 C SER A 89 -17.682 -1.914 -0.552 1.00 52.43 C ATOM 1241 O SER A 89 -16.900 -2.261 0.341 1.00 35.35 O ATOM 1242 CB SER A 89 -20.143 -1.982 0.045 1.00 20.15 C ATOM 1243 OG SER A 89 -20.383 -0.655 -0.360 1.00 61.13 O ATOM 0 H SER A 89 -19.509 -4.217 0.477 1.00 44.12 H new ATOM 0 HA SER A 89 -19.242 -2.566 -1.827 1.00 25.22 H new ATOM 0 HB2 SER A 89 -21.055 -2.567 -0.070 1.00 20.15 H new ATOM 0 HB3 SER A 89 -19.886 -1.997 1.104 1.00 20.15 H new ATOM 0 HG SER A 89 -20.084 -0.040 0.342 1.00 61.13 H new ATOM 1249 N LEU A 90 -17.453 -0.848 -1.326 1.00 22.13 N ATOM 1250 CA LEU A 90 -16.249 -0.019 -1.271 1.00 31.14 C ATOM 1251 C LEU A 90 -15.995 0.480 0.155 1.00 61.32 C ATOM 1252 O LEU A 90 -14.850 0.549 0.608 1.00 60.32 O ATOM 1253 CB LEU A 90 -16.415 1.186 -2.219 1.00 32.54 C ATOM 1254 CG LEU A 90 -15.275 1.349 -3.232 1.00 41.20 C ATOM 1255 CD1 LEU A 90 -15.680 2.413 -4.257 1.00 31.25 C ATOM 1256 CD2 LEU A 90 -13.953 1.738 -2.558 1.00 61.31 C ATOM 0 H LEU A 90 -18.121 -0.531 -2.028 1.00 22.13 H new ATOM 0 HA LEU A 90 -15.396 -0.622 -1.582 1.00 31.14 H new ATOM 0 HB2 LEU A 90 -17.355 1.082 -2.760 1.00 32.54 H new ATOM 0 HB3 LEU A 90 -16.490 2.096 -1.623 1.00 32.54 H new ATOM 0 HG LEU A 90 -15.109 0.390 -3.723 1.00 41.20 H new ATOM 0 HD11 LEU A 90 -14.879 2.541 -4.985 1.00 31.25 H new ATOM 0 HD12 LEU A 90 -16.589 2.097 -4.769 1.00 31.25 H new ATOM 0 HD13 LEU A 90 -15.861 3.359 -3.747 1.00 31.25 H new ATOM 0 HD21 LEU A 90 -13.176 1.842 -3.315 1.00 61.31 H new ATOM 0 HD22 LEU A 90 -14.077 2.685 -2.033 1.00 61.31 H new ATOM 0 HD23 LEU A 90 -13.666 0.964 -1.847 1.00 61.31 H new ATOM 1268 N SER A 91 -17.063 0.826 0.874 1.00 12.22 N ATOM 1269 CA SER A 91 -17.036 1.319 2.244 1.00 74.00 C ATOM 1270 C SER A 91 -16.479 0.275 3.221 1.00 74.02 C ATOM 1271 O SER A 91 -15.847 0.633 4.217 1.00 12.20 O ATOM 1272 CB SER A 91 -18.444 1.794 2.637 1.00 44.44 C ATOM 1273 OG SER A 91 -19.471 1.162 1.886 1.00 14.33 O ATOM 0 H SER A 91 -18.009 0.766 0.498 1.00 12.22 H new ATOM 0 HA SER A 91 -16.353 2.167 2.302 1.00 74.00 H new ATOM 0 HB2 SER A 91 -18.605 1.600 3.697 1.00 44.44 H new ATOM 0 HB3 SER A 91 -18.510 2.873 2.497 1.00 44.44 H new ATOM 0 HG SER A 91 -20.344 1.499 2.177 1.00 14.33 H new ATOM 1279 N THR A 92 -16.723 -1.009 2.967 1.00 2.05 N ATOM 1280 CA THR A 92 -16.240 -2.116 3.781 1.00 63.31 C ATOM 1281 C THR A 92 -14.768 -2.318 3.434 1.00 65.34 C ATOM 1282 O THR A 92 -13.892 -2.201 4.291 1.00 2.41 O ATOM 1283 CB THR A 92 -17.056 -3.377 3.447 1.00 70.43 C ATOM 1284 OG1 THR A 92 -18.432 -3.077 3.544 1.00 74.03 O ATOM 1285 CG2 THR A 92 -16.717 -4.563 4.353 1.00 60.34 C ATOM 0 H THR A 92 -17.277 -1.314 2.167 1.00 2.05 H new ATOM 0 HA THR A 92 -16.349 -1.912 4.846 1.00 63.31 H new ATOM 0 HB THR A 92 -16.798 -3.675 2.431 1.00 70.43 H new ATOM 0 HG1 THR A 92 -18.957 -3.877 3.331 1.00 74.03 H new ATOM 0 HG21 THR A 92 -17.324 -5.423 4.069 1.00 60.34 H new ATOM 0 HG22 THR A 92 -15.661 -4.813 4.246 1.00 60.34 H new ATOM 0 HG23 THR A 92 -16.924 -4.299 5.390 1.00 60.34 H new ATOM 1293 N LYS A 93 -14.511 -2.498 2.134 1.00 35.44 N ATOM 1294 CA LYS A 93 -13.222 -2.743 1.514 1.00 12.55 C ATOM 1295 C LYS A 93 -12.170 -1.765 2.024 1.00 63.34 C ATOM 1296 O LYS A 93 -11.134 -2.201 2.525 1.00 40.53 O ATOM 1297 CB LYS A 93 -13.452 -2.694 -0.010 1.00 20.35 C ATOM 1298 CG LYS A 93 -12.495 -3.586 -0.808 1.00 24.13 C ATOM 1299 CD LYS A 93 -13.061 -3.908 -2.204 1.00 32.04 C ATOM 1300 CE LYS A 93 -14.256 -4.877 -2.216 1.00 41.10 C ATOM 1301 NZ LYS A 93 -14.825 -5.045 -3.574 1.00 11.30 N ATOM 0 H LYS A 93 -15.261 -2.473 1.443 1.00 35.44 H new ATOM 0 HA LYS A 93 -12.819 -3.721 1.777 1.00 12.55 H new ATOM 0 HB2 LYS A 93 -14.478 -2.995 -0.223 1.00 20.35 H new ATOM 0 HB3 LYS A 93 -13.344 -1.664 -0.352 1.00 20.35 H new ATOM 0 HG2 LYS A 93 -11.531 -3.088 -0.910 1.00 24.13 H new ATOM 0 HG3 LYS A 93 -12.319 -4.513 -0.262 1.00 24.13 H new ATOM 0 HD2 LYS A 93 -13.364 -2.976 -2.680 1.00 32.04 H new ATOM 0 HD3 LYS A 93 -12.263 -4.332 -2.814 1.00 32.04 H new ATOM 0 HE2 LYS A 93 -13.939 -5.847 -1.834 1.00 41.10 H new ATOM 0 HE3 LYS A 93 -15.029 -4.506 -1.543 1.00 41.10 H new ATOM 0 HZ1 LYS A 93 -15.364 -5.933 -3.617 1.00 11.30 H new ATOM 0 HZ2 LYS A 93 -15.456 -4.246 -3.787 1.00 11.30 H new ATOM 0 HZ3 LYS A 93 -14.055 -5.074 -4.272 1.00 11.30 H new ATOM 1315 N THR A 94 -12.443 -0.464 1.947 1.00 54.23 N ATOM 1316 CA THR A 94 -11.544 0.595 2.399 1.00 54.40 C ATOM 1317 C THR A 94 -11.135 0.385 3.863 1.00 62.52 C ATOM 1318 O THR A 94 -9.945 0.345 4.181 1.00 71.40 O ATOM 1319 CB THR A 94 -12.226 1.969 2.217 1.00 41.01 C ATOM 1320 OG1 THR A 94 -13.600 1.915 2.569 1.00 51.24 O ATOM 1321 CG2 THR A 94 -12.128 2.434 0.764 1.00 30.30 C ATOM 0 H THR A 94 -13.317 -0.109 1.559 1.00 54.23 H new ATOM 0 HA THR A 94 -10.637 0.563 1.795 1.00 54.40 H new ATOM 0 HB THR A 94 -11.707 2.668 2.873 1.00 41.01 H new ATOM 0 HG1 THR A 94 -14.132 1.693 1.777 1.00 51.24 H new ATOM 0 HG21 THR A 94 -12.615 3.404 0.659 1.00 30.30 H new ATOM 0 HG22 THR A 94 -11.079 2.522 0.480 1.00 30.30 H new ATOM 0 HG23 THR A 94 -12.620 1.709 0.116 1.00 30.30 H new ATOM 1329 N SER A 95 -12.114 0.206 4.750 1.00 20.51 N ATOM 1330 CA SER A 95 -11.889 0.016 6.174 1.00 23.21 C ATOM 1331 C SER A 95 -11.106 -1.268 6.482 1.00 43.42 C ATOM 1332 O SER A 95 -10.308 -1.285 7.424 1.00 11.30 O ATOM 1333 CB SER A 95 -13.246 0.069 6.891 1.00 53.13 C ATOM 1334 OG SER A 95 -13.073 0.530 8.214 1.00 53.31 O ATOM 0 H SER A 95 -13.100 0.189 4.490 1.00 20.51 H new ATOM 0 HA SER A 95 -11.256 0.821 6.548 1.00 23.21 H new ATOM 0 HB2 SER A 95 -13.926 0.729 6.353 1.00 53.13 H new ATOM 0 HB3 SER A 95 -13.702 -0.921 6.898 1.00 53.13 H new ATOM 0 HG SER A 95 -13.942 0.563 8.665 1.00 53.31 H new ATOM 1340 N SER A 96 -11.283 -2.346 5.712 1.00 42.21 N ATOM 1341 CA SER A 96 -10.561 -3.592 5.955 1.00 22.20 C ATOM 1342 C SER A 96 -9.058 -3.429 5.722 1.00 61.00 C ATOM 1343 O SER A 96 -8.254 -4.062 6.405 1.00 52.52 O ATOM 1344 CB SER A 96 -11.085 -4.689 5.029 1.00 15.32 C ATOM 1345 OG SER A 96 -12.485 -4.848 5.118 1.00 43.12 O ATOM 0 H SER A 96 -11.920 -2.378 4.916 1.00 42.21 H new ATOM 0 HA SER A 96 -10.725 -3.865 6.998 1.00 22.20 H new ATOM 0 HB2 SER A 96 -10.814 -4.452 4.000 1.00 15.32 H new ATOM 0 HB3 SER A 96 -10.599 -5.632 5.277 1.00 15.32 H new ATOM 0 HG SER A 96 -12.928 -4.040 4.783 1.00 43.12 H new ATOM 1351 N ILE A 97 -8.665 -2.569 4.783 1.00 42.00 N ATOM 1352 CA ILE A 97 -7.273 -2.334 4.433 1.00 52.13 C ATOM 1353 C ILE A 97 -6.510 -1.735 5.609 1.00 13.34 C ATOM 1354 O ILE A 97 -5.427 -2.232 5.904 1.00 13.40 O ATOM 1355 CB ILE A 97 -7.182 -1.482 3.157 1.00 65.02 C ATOM 1356 CG1 ILE A 97 -7.912 -2.159 1.977 1.00 62.34 C ATOM 1357 CG2 ILE A 97 -5.721 -1.310 2.749 1.00 31.23 C ATOM 1358 CD1 ILE A 97 -8.449 -1.131 0.975 1.00 33.11 C ATOM 0 H ILE A 97 -9.320 -2.009 4.237 1.00 42.00 H new ATOM 0 HA ILE A 97 -6.791 -3.287 4.212 1.00 52.13 H new ATOM 0 HB ILE A 97 -7.646 -0.521 3.377 1.00 65.02 H new ATOM 0 HG12 ILE A 97 -7.229 -2.839 1.469 1.00 62.34 H new ATOM 0 HG13 ILE A 97 -8.737 -2.761 2.357 1.00 62.34 H new ATOM 0 HG21 ILE A 97 -5.665 -0.705 1.844 1.00 31.23 H new ATOM 0 HG22 ILE A 97 -5.175 -0.814 3.552 1.00 31.23 H new ATOM 0 HG23 ILE A 97 -5.279 -2.288 2.560 1.00 31.23 H new ATOM 0 HD11 ILE A 97 -8.956 -1.648 0.160 1.00 33.11 H new ATOM 0 HD12 ILE A 97 -9.153 -0.467 1.477 1.00 33.11 H new ATOM 0 HD13 ILE A 97 -7.621 -0.546 0.575 1.00 33.11 H new ATOM 1370 N ALA A 98 -7.043 -0.719 6.305 1.00 42.00 N ATOM 1371 CA ALA A 98 -6.338 -0.134 7.454 1.00 61.43 C ATOM 1372 C ALA A 98 -6.054 -1.207 8.507 1.00 41.10 C ATOM 1373 O ALA A 98 -5.019 -1.185 9.170 1.00 12.30 O ATOM 1374 CB ALA A 98 -7.166 0.980 8.104 1.00 51.22 C ATOM 0 H ALA A 98 -7.945 -0.292 6.096 1.00 42.00 H new ATOM 0 HA ALA A 98 -5.402 0.284 7.083 1.00 61.43 H new ATOM 0 HB1 ALA A 98 -6.618 1.393 8.951 1.00 51.22 H new ATOM 0 HB2 ALA A 98 -7.353 1.767 7.374 1.00 51.22 H new ATOM 0 HB3 ALA A 98 -8.116 0.573 8.450 1.00 51.22 H new ATOM 1380 N SER A 99 -6.994 -2.136 8.662 1.00 31.23 N ATOM 1381 CA SER A 99 -6.890 -3.219 9.619 1.00 14.34 C ATOM 1382 C SER A 99 -5.854 -4.256 9.157 1.00 54.40 C ATOM 1383 O SER A 99 -5.185 -4.860 9.992 1.00 45.22 O ATOM 1384 CB SER A 99 -8.298 -3.764 9.861 1.00 22.14 C ATOM 1385 OG SER A 99 -8.370 -4.474 11.076 1.00 21.22 O ATOM 0 H SER A 99 -7.856 -2.153 8.118 1.00 31.23 H new ATOM 0 HA SER A 99 -6.508 -2.879 10.582 1.00 14.34 H new ATOM 0 HB2 SER A 99 -9.012 -2.940 9.876 1.00 22.14 H new ATOM 0 HB3 SER A 99 -8.584 -4.418 9.037 1.00 22.14 H new ATOM 0 HG SER A 99 -9.282 -4.809 11.205 1.00 21.22 H new ATOM 1391 N ALA A 100 -5.686 -4.476 7.848 1.00 31.14 N ATOM 1392 CA ALA A 100 -4.683 -5.420 7.365 1.00 51.05 C ATOM 1393 C ALA A 100 -3.295 -4.762 7.431 1.00 64.35 C ATOM 1394 O ALA A 100 -2.299 -5.416 7.737 1.00 55.25 O ATOM 1395 CB ALA A 100 -5.020 -5.843 5.934 1.00 44.03 C ATOM 0 H ALA A 100 -6.227 -4.017 7.115 1.00 31.14 H new ATOM 0 HA ALA A 100 -4.678 -6.311 7.992 1.00 51.05 H new ATOM 0 HB1 ALA A 100 -4.269 -6.548 5.577 1.00 44.03 H new ATOM 0 HB2 ALA A 100 -6.001 -6.318 5.916 1.00 44.03 H new ATOM 0 HB3 ALA A 100 -5.030 -4.965 5.288 1.00 44.03 H new ATOM 1401 N LEU A 101 -3.229 -3.456 7.154 1.00 35.00 N ATOM 1402 CA LEU A 101 -2.014 -2.652 7.160 1.00 54.44 C ATOM 1403 C LEU A 101 -1.356 -2.657 8.526 1.00 34.12 C ATOM 1404 O LEU A 101 -0.145 -2.834 8.581 1.00 21.12 O ATOM 1405 CB LEU A 101 -2.319 -1.199 6.769 1.00 34.51 C ATOM 1406 CG LEU A 101 -2.385 -0.959 5.257 1.00 44.32 C ATOM 1407 CD1 LEU A 101 -3.047 0.395 4.996 1.00 42.11 C ATOM 1408 CD2 LEU A 101 -0.987 -0.960 4.629 1.00 65.54 C ATOM 0 H LEU A 101 -4.057 -2.913 6.910 1.00 35.00 H new ATOM 0 HA LEU A 101 -1.335 -3.096 6.432 1.00 54.44 H new ATOM 0 HB2 LEU A 101 -3.270 -0.906 7.214 1.00 34.51 H new ATOM 0 HB3 LEU A 101 -1.554 -0.551 7.196 1.00 34.51 H new ATOM 0 HG LEU A 101 -2.964 -1.765 4.807 1.00 44.32 H new ATOM 0 HD11 LEU A 101 -3.098 0.574 3.922 1.00 42.11 H new ATOM 0 HD12 LEU A 101 -4.054 0.394 5.412 1.00 42.11 H new ATOM 0 HD13 LEU A 101 -2.461 1.184 5.468 1.00 42.11 H new ATOM 0 HD21 LEU A 101 -1.070 -0.787 3.556 1.00 65.54 H new ATOM 0 HD22 LEU A 101 -0.386 -0.170 5.078 1.00 65.54 H new ATOM 0 HD23 LEU A 101 -0.510 -1.924 4.805 1.00 65.54 H new ATOM 1420 N SER A 102 -2.107 -2.433 9.610 1.00 71.24 N ATOM 1421 CA SER A 102 -1.545 -2.429 10.957 1.00 74.52 C ATOM 1422 C SER A 102 -0.775 -3.726 11.186 1.00 55.44 C ATOM 1423 O SER A 102 0.416 -3.685 11.494 1.00 63.25 O ATOM 1424 CB SER A 102 -2.648 -2.198 12.000 1.00 64.42 C ATOM 1425 OG SER A 102 -3.838 -2.876 11.660 1.00 51.01 O ATOM 0 H SER A 102 -3.110 -2.252 9.576 1.00 71.24 H new ATOM 0 HA SER A 102 -0.842 -1.604 11.067 1.00 74.52 H new ATOM 0 HB2 SER A 102 -2.302 -2.537 12.977 1.00 64.42 H new ATOM 0 HB3 SER A 102 -2.849 -1.130 12.086 1.00 64.42 H new ATOM 0 HG SER A 102 -4.518 -2.708 12.346 1.00 51.01 H new ATOM 1431 N ASN A 103 -1.435 -4.863 10.953 1.00 62.55 N ATOM 1432 CA ASN A 103 -0.840 -6.182 11.112 1.00 13.50 C ATOM 1433 C ASN A 103 0.415 -6.322 10.243 1.00 10.22 C ATOM 1434 O ASN A 103 1.456 -6.750 10.737 1.00 24.52 O ATOM 1435 CB ASN A 103 -1.883 -7.255 10.770 1.00 62.55 C ATOM 1436 CG ASN A 103 -1.411 -8.666 11.093 1.00 72.51 C ATOM 1437 OD1 ASN A 103 -1.685 -9.585 10.327 1.00 44.32 O ATOM 1438 ND2 ASN A 103 -0.749 -8.895 12.215 1.00 32.35 N ATOM 0 H ASN A 103 -2.407 -4.889 10.646 1.00 62.55 H new ATOM 0 HA ASN A 103 -0.529 -6.315 12.148 1.00 13.50 H new ATOM 0 HB2 ASN A 103 -2.801 -7.050 11.320 1.00 62.55 H new ATOM 0 HB3 ASN A 103 -2.126 -7.193 9.709 1.00 62.55 H new ATOM 0 HD21 ASN A 103 -0.460 -9.844 12.452 1.00 32.35 H new ATOM 0 HD22 ASN A 103 -0.527 -8.123 12.843 1.00 32.35 H new ATOM 1445 N ALA A 104 0.345 -5.906 8.974 1.00 2.32 N ATOM 1446 CA ALA A 104 1.470 -5.975 8.049 1.00 12.10 C ATOM 1447 C ALA A 104 2.658 -5.129 8.530 1.00 12.44 C ATOM 1448 O ALA A 104 3.801 -5.537 8.344 1.00 5.12 O ATOM 1449 CB ALA A 104 1.015 -5.566 6.643 1.00 14.05 C ATOM 0 H ALA A 104 -0.500 -5.511 8.562 1.00 2.32 H new ATOM 0 HA ALA A 104 1.821 -7.006 8.012 1.00 12.10 H new ATOM 0 HB1 ALA A 104 1.860 -5.620 5.957 1.00 14.05 H new ATOM 0 HB2 ALA A 104 0.229 -6.241 6.304 1.00 14.05 H new ATOM 0 HB3 ALA A 104 0.632 -4.546 6.667 1.00 14.05 H new ATOM 1455 N PHE A 105 2.428 -3.965 9.151 1.00 31.14 N ATOM 1456 CA PHE A 105 3.520 -3.127 9.643 1.00 51.00 C ATOM 1457 C PHE A 105 4.231 -3.807 10.818 1.00 1.50 C ATOM 1458 O PHE A 105 5.446 -3.643 10.975 1.00 32.32 O ATOM 1459 CB PHE A 105 3.044 -1.710 9.989 1.00 24.44 C ATOM 1460 CG PHE A 105 2.857 -0.806 8.781 1.00 10.53 C ATOM 1461 CD1 PHE A 105 3.958 -0.475 7.968 1.00 1.35 C ATOM 1462 CD2 PHE A 105 1.591 -0.283 8.467 1.00 40.41 C ATOM 1463 CE1 PHE A 105 3.788 0.347 6.839 1.00 62.43 C ATOM 1464 CE2 PHE A 105 1.420 0.543 7.340 1.00 35.03 C ATOM 1465 CZ PHE A 105 2.516 0.850 6.520 1.00 44.13 C ATOM 0 H PHE A 105 1.497 -3.586 9.323 1.00 31.14 H new ATOM 0 HA PHE A 105 4.247 -3.012 8.839 1.00 51.00 H new ATOM 0 HB2 PHE A 105 2.099 -1.777 10.529 1.00 24.44 H new ATOM 0 HB3 PHE A 105 3.765 -1.251 10.665 1.00 24.44 H new ATOM 0 HD1 PHE A 105 4.939 -0.855 8.213 1.00 1.35 H new ATOM 0 HD2 PHE A 105 0.744 -0.516 9.095 1.00 40.41 H new ATOM 0 HE1 PHE A 105 4.636 0.591 6.217 1.00 62.43 H new ATOM 0 HE2 PHE A 105 0.444 0.941 7.106 1.00 35.03 H new ATOM 0 HZ PHE A 105 2.382 1.471 5.647 1.00 44.13 H new ATOM 1475 N LEU A 106 3.526 -4.596 11.644 1.00 62.02 N ATOM 1476 CA LEU A 106 4.186 -5.291 12.751 1.00 65.01 C ATOM 1477 C LEU A 106 5.210 -6.278 12.181 1.00 25.21 C ATOM 1478 O LEU A 106 6.226 -6.534 12.827 1.00 20.02 O ATOM 1479 CB LEU A 106 3.202 -6.059 13.660 1.00 44.45 C ATOM 1480 CG LEU A 106 2.541 -5.265 14.799 1.00 31.53 C ATOM 1481 CD1 LEU A 106 3.536 -4.509 15.687 1.00 23.00 C ATOM 1482 CD2 LEU A 106 1.492 -4.294 14.281 1.00 44.15 C ATOM 0 H LEU A 106 2.523 -4.764 11.567 1.00 62.02 H new ATOM 0 HA LEU A 106 4.665 -4.530 13.367 1.00 65.01 H new ATOM 0 HB2 LEU A 106 2.413 -6.472 13.032 1.00 44.45 H new ATOM 0 HB3 LEU A 106 3.734 -6.903 14.099 1.00 44.45 H new ATOM 0 HG LEU A 106 2.062 -6.024 15.418 1.00 31.53 H new ATOM 0 HD11 LEU A 106 2.994 -3.974 16.467 1.00 23.00 H new ATOM 0 HD12 LEU A 106 4.226 -5.218 16.146 1.00 23.00 H new ATOM 0 HD13 LEU A 106 4.097 -3.797 15.081 1.00 23.00 H new ATOM 0 HD21 LEU A 106 1.051 -3.754 15.119 1.00 44.15 H new ATOM 0 HD22 LEU A 106 1.959 -3.585 13.598 1.00 44.15 H new ATOM 0 HD23 LEU A 106 0.713 -4.846 13.755 1.00 44.15 H new ATOM 1494 N GLN A 107 4.968 -6.807 10.980 1.00 55.55 N ATOM 1495 CA GLN A 107 5.843 -7.752 10.306 1.00 52.03 C ATOM 1496 C GLN A 107 7.039 -7.076 9.627 1.00 41.51 C ATOM 1497 O GLN A 107 8.037 -7.754 9.380 1.00 4.01 O ATOM 1498 CB GLN A 107 5.030 -8.539 9.267 1.00 62.11 C ATOM 1499 CG GLN A 107 3.927 -9.390 9.910 1.00 32.13 C ATOM 1500 CD GLN A 107 3.001 -10.042 8.894 1.00 44.00 C ATOM 1501 OE1 GLN A 107 1.874 -9.599 8.702 1.00 1.10 O ATOM 1502 NE2 GLN A 107 3.436 -11.105 8.237 1.00 75.53 N ATOM 0 H GLN A 107 4.133 -6.580 10.439 1.00 55.55 H new ATOM 0 HA GLN A 107 6.249 -8.422 11.064 1.00 52.03 H new ATOM 0 HB2 GLN A 107 4.581 -7.843 8.558 1.00 62.11 H new ATOM 0 HB3 GLN A 107 5.700 -9.185 8.699 1.00 62.11 H new ATOM 0 HG2 GLN A 107 4.387 -10.166 10.523 1.00 32.13 H new ATOM 0 HG3 GLN A 107 3.337 -8.763 10.579 1.00 32.13 H new ATOM 0 HE21 GLN A 107 4.376 -11.461 8.408 1.00 75.53 H new ATOM 0 HE22 GLN A 107 2.831 -11.568 7.559 1.00 75.53 H new ATOM 1511 N THR A 108 7.004 -5.768 9.355 1.00 74.34 N ATOM 1512 CA THR A 108 8.110 -5.085 8.693 1.00 30.13 C ATOM 1513 C THR A 108 8.973 -4.289 9.656 1.00 3.41 C ATOM 1514 O THR A 108 10.202 -4.396 9.605 1.00 65.22 O ATOM 1515 CB THR A 108 7.583 -4.160 7.596 1.00 13.45 C ATOM 1516 OG1 THR A 108 6.608 -3.261 8.078 1.00 32.33 O ATOM 1517 CG2 THR A 108 6.969 -4.948 6.454 1.00 20.43 C ATOM 0 H THR A 108 6.216 -5.162 9.586 1.00 74.34 H new ATOM 0 HA THR A 108 8.738 -5.862 8.258 1.00 30.13 H new ATOM 0 HB THR A 108 8.448 -3.599 7.243 1.00 13.45 H new ATOM 0 HG1 THR A 108 6.300 -2.688 7.345 1.00 32.33 H new ATOM 0 HG21 THR A 108 6.604 -4.260 5.692 1.00 20.43 H new ATOM 0 HG22 THR A 108 7.722 -5.605 6.019 1.00 20.43 H new ATOM 0 HG23 THR A 108 6.139 -5.546 6.830 1.00 20.43 H new ATOM 1525 N THR A 109 8.367 -3.523 10.560 1.00 23.32 N ATOM 1526 CA THR A 109 9.080 -2.686 11.507 1.00 72.24 C ATOM 1527 C THR A 109 8.811 -3.047 12.954 1.00 43.24 C ATOM 1528 O THR A 109 9.680 -2.792 13.788 1.00 60.12 O ATOM 1529 CB THR A 109 8.597 -1.236 11.301 1.00 74.22 C ATOM 1530 OG1 THR A 109 7.195 -1.161 11.487 1.00 63.33 O ATOM 1531 CG2 THR A 109 8.882 -0.708 9.901 1.00 32.42 C ATOM 0 H THR A 109 7.353 -3.469 10.652 1.00 23.32 H new ATOM 0 HA THR A 109 10.146 -2.822 11.324 1.00 72.24 H new ATOM 0 HB THR A 109 9.142 -0.635 12.029 1.00 74.22 H new ATOM 0 HG1 THR A 109 6.897 -0.237 11.356 1.00 63.33 H new ATOM 0 HG21 THR A 109 8.519 0.316 9.818 1.00 32.42 H new ATOM 0 HG22 THR A 109 9.956 -0.729 9.716 1.00 32.42 H new ATOM 0 HG23 THR A 109 8.375 -1.333 9.166 1.00 32.42 H new ATOM 1539 N GLY A 110 7.657 -3.658 13.236 1.00 61.31 N ATOM 1540 CA GLY A 110 7.264 -3.972 14.598 1.00 75.23 C ATOM 1541 C GLY A 110 6.664 -2.694 15.208 1.00 4.53 C ATOM 1542 O GLY A 110 6.450 -2.626 16.417 1.00 74.24 O ATOM 0 H GLY A 110 6.980 -3.944 12.529 1.00 61.31 H new ATOM 0 HA2 GLY A 110 6.535 -4.782 14.610 1.00 75.23 H new ATOM 0 HA3 GLY A 110 8.124 -4.308 15.178 1.00 75.23 H new ATOM 1546 N VAL A 111 6.344 -1.687 14.381 1.00 10.23 N ATOM 1547 CA VAL A 111 5.805 -0.392 14.762 1.00 50.20 C ATOM 1548 C VAL A 111 4.507 -0.136 14.008 1.00 73.44 C ATOM 1549 O VAL A 111 4.483 -0.147 12.779 1.00 1.52 O ATOM 1550 CB VAL A 111 6.838 0.699 14.404 1.00 62.14 C ATOM 1551 CG1 VAL A 111 6.379 2.076 14.900 1.00 31.03 C ATOM 1552 CG2 VAL A 111 8.242 0.378 14.929 1.00 64.31 C ATOM 0 H VAL A 111 6.465 -1.769 13.372 1.00 10.23 H new ATOM 0 HA VAL A 111 5.602 -0.374 15.833 1.00 50.20 H new ATOM 0 HB VAL A 111 6.901 0.721 13.316 1.00 62.14 H new ATOM 0 HG11 VAL A 111 7.125 2.825 14.635 1.00 31.03 H new ATOM 0 HG12 VAL A 111 5.427 2.331 14.435 1.00 31.03 H new ATOM 0 HG13 VAL A 111 6.259 2.051 15.983 1.00 31.03 H new ATOM 0 HG21 VAL A 111 8.927 1.178 14.649 1.00 64.31 H new ATOM 0 HG22 VAL A 111 8.213 0.289 16.015 1.00 64.31 H new ATOM 0 HG23 VAL A 111 8.586 -0.562 14.497 1.00 64.31 H new ATOM 1562 N VAL A 112 3.437 0.151 14.740 1.00 13.50 N ATOM 1563 CA VAL A 112 2.118 0.440 14.200 1.00 72.12 C ATOM 1564 C VAL A 112 1.859 1.923 14.485 1.00 63.41 C ATOM 1565 O VAL A 112 2.012 2.367 15.628 1.00 62.53 O ATOM 1566 CB VAL A 112 1.107 -0.570 14.789 1.00 1.01 C ATOM 1567 CG1 VAL A 112 1.123 -0.674 16.322 1.00 51.13 C ATOM 1568 CG2 VAL A 112 -0.322 -0.334 14.293 1.00 43.52 C ATOM 0 H VAL A 112 3.467 0.190 15.759 1.00 13.50 H new ATOM 0 HA VAL A 112 2.022 0.307 13.122 1.00 72.12 H new ATOM 0 HB VAL A 112 1.456 -1.530 14.409 1.00 1.01 H new ATOM 0 HG11 VAL A 112 0.382 -1.406 16.645 1.00 51.13 H new ATOM 0 HG12 VAL A 112 2.112 -0.988 16.655 1.00 51.13 H new ATOM 0 HG13 VAL A 112 0.886 0.298 16.755 1.00 51.13 H new ATOM 0 HG21 VAL A 112 -0.989 -1.072 14.739 1.00 43.52 H new ATOM 0 HG22 VAL A 112 -0.646 0.667 14.579 1.00 43.52 H new ATOM 0 HG23 VAL A 112 -0.351 -0.428 13.207 1.00 43.52 H new ATOM 1578 N ASN A 113 1.528 2.716 13.459 1.00 61.31 N ATOM 1579 CA ASN A 113 1.262 4.152 13.577 1.00 73.13 C ATOM 1580 C ASN A 113 -0.084 4.468 12.940 1.00 63.11 C ATOM 1581 O ASN A 113 -0.216 4.399 11.718 1.00 51.32 O ATOM 1582 CB ASN A 113 2.375 4.993 12.924 1.00 55.04 C ATOM 1583 CG ASN A 113 3.523 5.290 13.876 1.00 75.31 C ATOM 1584 OD1 ASN A 113 3.305 5.714 15.012 1.00 30.40 O ATOM 1585 ND2 ASN A 113 4.755 5.113 13.442 1.00 5.05 N ATOM 0 H ASN A 113 1.436 2.369 12.504 1.00 61.31 H new ATOM 0 HA ASN A 113 1.239 4.412 14.635 1.00 73.13 H new ATOM 0 HB2 ASN A 113 2.760 4.464 12.052 1.00 55.04 H new ATOM 0 HB3 ASN A 113 1.953 5.932 12.567 1.00 55.04 H new ATOM 0 HD21 ASN A 113 5.546 5.328 14.050 1.00 5.05 H new ATOM 0 HD22 ASN A 113 4.918 4.761 12.499 1.00 5.05 H new ATOM 1592 N GLN A 114 -1.045 4.876 13.768 1.00 4.42 N ATOM 1593 CA GLN A 114 -2.410 5.226 13.397 1.00 21.30 C ATOM 1594 C GLN A 114 -2.484 6.154 12.163 1.00 53.25 C ATOM 1595 O GLN A 114 -3.164 5.754 11.212 1.00 51.15 O ATOM 1596 CB GLN A 114 -3.109 5.784 14.653 1.00 34.24 C ATOM 1597 CG GLN A 114 -4.621 6.023 14.500 1.00 44.23 C ATOM 1598 CD GLN A 114 -5.237 6.615 15.771 1.00 11.35 C ATOM 1599 OE1 GLN A 114 -4.576 7.311 16.542 1.00 1.40 O ATOM 1600 NE2 GLN A 114 -6.507 6.355 16.036 1.00 64.54 N ATOM 0 H GLN A 114 -0.880 4.976 14.770 1.00 4.42 H new ATOM 0 HA GLN A 114 -2.946 4.337 13.064 1.00 21.30 H new ATOM 0 HB2 GLN A 114 -2.947 5.092 15.479 1.00 34.24 H new ATOM 0 HB3 GLN A 114 -2.633 6.725 14.928 1.00 34.24 H new ATOM 0 HG2 GLN A 114 -4.799 6.697 13.662 1.00 44.23 H new ATOM 0 HG3 GLN A 114 -5.115 5.081 14.262 1.00 44.23 H new ATOM 0 HE21 GLN A 114 -7.054 5.778 15.397 1.00 64.54 H new ATOM 0 HE22 GLN A 114 -6.939 6.731 16.880 1.00 64.54 H new ATOM 1609 N PRO A 115 -1.812 7.324 12.094 1.00 11.12 N ATOM 1610 CA PRO A 115 -1.883 8.199 10.923 1.00 13.03 C ATOM 1611 C PRO A 115 -1.125 7.653 9.714 1.00 13.11 C ATOM 1612 O PRO A 115 -1.567 7.869 8.591 1.00 71.45 O ATOM 1613 CB PRO A 115 -1.288 9.537 11.363 1.00 45.35 C ATOM 1614 CG PRO A 115 -0.312 9.151 12.469 1.00 0.11 C ATOM 1615 CD PRO A 115 -0.983 7.947 13.120 1.00 21.14 C ATOM 0 HA PRO A 115 -2.918 8.288 10.594 1.00 13.03 H new ATOM 0 HB2 PRO A 115 -0.782 10.040 10.539 1.00 45.35 H new ATOM 0 HB3 PRO A 115 -2.058 10.217 11.727 1.00 45.35 H new ATOM 0 HG2 PRO A 115 0.670 8.898 12.069 1.00 0.11 H new ATOM 0 HG3 PRO A 115 -0.167 9.964 13.180 1.00 0.11 H new ATOM 0 HD2 PRO A 115 -0.238 7.245 13.495 1.00 21.14 H new ATOM 0 HD3 PRO A 115 -1.588 8.255 13.972 1.00 21.14 H new ATOM 1623 N PHE A 116 -0.011 6.942 9.916 1.00 11.01 N ATOM 1624 CA PHE A 116 0.768 6.385 8.813 1.00 43.45 C ATOM 1625 C PHE A 116 -0.111 5.426 8.008 1.00 11.40 C ATOM 1626 O PHE A 116 -0.141 5.459 6.785 1.00 63.12 O ATOM 1627 CB PHE A 116 2.029 5.705 9.360 1.00 71.02 C ATOM 1628 CG PHE A 116 3.089 5.493 8.302 1.00 74.23 C ATOM 1629 CD1 PHE A 116 3.085 4.329 7.510 1.00 34.22 C ATOM 1630 CD2 PHE A 116 4.058 6.489 8.079 1.00 14.21 C ATOM 1631 CE1 PHE A 116 4.030 4.178 6.481 1.00 62.23 C ATOM 1632 CE2 PHE A 116 5.010 6.332 7.060 1.00 31.14 C ATOM 1633 CZ PHE A 116 4.987 5.183 6.253 1.00 33.31 C ATOM 0 H PHE A 116 0.371 6.740 10.840 1.00 11.01 H new ATOM 0 HA PHE A 116 1.096 7.177 8.140 1.00 43.45 H new ATOM 0 HB2 PHE A 116 2.443 6.312 10.165 1.00 71.02 H new ATOM 0 HB3 PHE A 116 1.758 4.742 9.793 1.00 71.02 H new ATOM 0 HD1 PHE A 116 2.356 3.553 7.693 1.00 34.22 H new ATOM 0 HD2 PHE A 116 4.069 7.377 8.694 1.00 14.21 H new ATOM 0 HE1 PHE A 116 4.021 3.291 5.866 1.00 62.23 H new ATOM 0 HE2 PHE A 116 5.759 7.093 6.897 1.00 31.14 H new ATOM 0 HZ PHE A 116 5.706 5.071 5.455 1.00 33.31 H new ATOM 1643 N ILE A 117 -0.853 4.571 8.709 1.00 10.12 N ATOM 1644 CA ILE A 117 -1.770 3.610 8.110 1.00 1.02 C ATOM 1645 C ILE A 117 -2.934 4.386 7.495 1.00 53.12 C ATOM 1646 O ILE A 117 -3.380 4.057 6.393 1.00 1.34 O ATOM 1647 CB ILE A 117 -2.232 2.651 9.229 1.00 53.01 C ATOM 1648 CG1 ILE A 117 -1.053 1.738 9.615 1.00 24.32 C ATOM 1649 CG2 ILE A 117 -3.453 1.805 8.832 1.00 43.14 C ATOM 1650 CD1 ILE A 117 -1.153 1.195 11.035 1.00 75.42 C ATOM 0 H ILE A 117 -0.832 4.528 9.728 1.00 10.12 H new ATOM 0 HA ILE A 117 -1.305 3.021 7.320 1.00 1.02 H new ATOM 0 HB ILE A 117 -2.546 3.257 10.079 1.00 53.01 H new ATOM 0 HG12 ILE A 117 -1.005 0.903 8.916 1.00 24.32 H new ATOM 0 HG13 ILE A 117 -0.122 2.295 9.511 1.00 24.32 H new ATOM 0 HG21 ILE A 117 -3.728 1.152 9.660 1.00 43.14 H new ATOM 0 HG22 ILE A 117 -4.289 2.462 8.595 1.00 43.14 H new ATOM 0 HG23 ILE A 117 -3.208 1.200 7.959 1.00 43.14 H new ATOM 0 HD11 ILE A 117 -0.292 0.560 11.243 1.00 75.42 H new ATOM 0 HD12 ILE A 117 -1.171 2.025 11.741 1.00 75.42 H new ATOM 0 HD13 ILE A 117 -2.068 0.611 11.138 1.00 75.42 H new ATOM 1662 N ASN A 118 -3.417 5.419 8.195 1.00 4.24 N ATOM 1663 CA ASN A 118 -4.526 6.219 7.717 1.00 13.14 C ATOM 1664 C ASN A 118 -4.217 6.854 6.370 1.00 73.21 C ATOM 1665 O ASN A 118 -5.093 6.797 5.512 1.00 25.34 O ATOM 1666 CB ASN A 118 -4.977 7.268 8.737 1.00 63.31 C ATOM 1667 CG ASN A 118 -6.394 7.739 8.444 1.00 11.44 C ATOM 1668 OD1 ASN A 118 -6.654 8.894 8.122 1.00 53.13 O ATOM 1669 ND2 ASN A 118 -7.361 6.852 8.583 1.00 22.34 N ATOM 0 H ASN A 118 -3.047 5.714 9.099 1.00 4.24 H new ATOM 0 HA ASN A 118 -5.364 5.535 7.580 1.00 13.14 H new ATOM 0 HB2 ASN A 118 -4.930 6.847 9.742 1.00 63.31 H new ATOM 0 HB3 ASN A 118 -4.295 8.118 8.715 1.00 63.31 H new ATOM 0 HD21 ASN A 118 -8.331 7.125 8.423 1.00 22.34 H new ATOM 0 HD22 ASN A 118 -7.139 5.893 8.851 1.00 22.34 H new ATOM 1676 N GLU A 119 -2.995 7.355 6.143 1.00 70.12 N ATOM 1677 CA GLU A 119 -2.576 7.985 4.886 1.00 3.40 C ATOM 1678 C GLU A 119 -2.914 7.081 3.693 1.00 64.44 C ATOM 1679 O GLU A 119 -3.474 7.529 2.691 1.00 3.43 O ATOM 1680 CB GLU A 119 -1.071 8.400 4.934 1.00 11.11 C ATOM 1681 CG GLU A 119 -0.118 7.503 4.100 1.00 75.42 C ATOM 1682 CD GLU A 119 1.362 7.927 4.046 1.00 63.14 C ATOM 1683 OE1 GLU A 119 1.945 8.420 5.031 1.00 24.24 O ATOM 1684 OE2 GLU A 119 1.986 7.783 2.956 1.00 64.11 O ATOM 0 H GLU A 119 -2.255 7.332 6.844 1.00 70.12 H new ATOM 0 HA GLU A 119 -3.138 8.909 4.751 1.00 3.40 H new ATOM 0 HB2 GLU A 119 -0.981 9.427 4.581 1.00 11.11 H new ATOM 0 HB3 GLU A 119 -0.740 8.390 5.972 1.00 11.11 H new ATOM 0 HG2 GLU A 119 -0.167 6.490 4.500 1.00 75.42 H new ATOM 0 HG3 GLU A 119 -0.497 7.461 3.079 1.00 75.42 H new ATOM 1691 N ILE A 120 -2.600 5.789 3.823 1.00 61.21 N ATOM 1692 CA ILE A 120 -2.820 4.785 2.799 1.00 64.51 C ATOM 1693 C ILE A 120 -4.323 4.664 2.528 1.00 3.53 C ATOM 1694 O ILE A 120 -4.722 4.532 1.374 1.00 71.12 O ATOM 1695 CB ILE A 120 -2.142 3.456 3.214 1.00 2.33 C ATOM 1696 CG1 ILE A 120 -0.687 3.597 3.726 1.00 0.42 C ATOM 1697 CG2 ILE A 120 -2.126 2.436 2.071 1.00 30.12 C ATOM 1698 CD1 ILE A 120 0.305 4.148 2.689 1.00 15.31 C ATOM 0 H ILE A 120 -2.175 5.411 4.669 1.00 61.21 H new ATOM 0 HA ILE A 120 -2.357 5.075 1.856 1.00 64.51 H new ATOM 0 HB ILE A 120 -2.762 3.113 4.042 1.00 2.33 H new ATOM 0 HG12 ILE A 120 -0.684 4.253 4.597 1.00 0.42 H new ATOM 0 HG13 ILE A 120 -0.337 2.621 4.061 1.00 0.42 H new ATOM 0 HG21 ILE A 120 -1.641 1.520 2.408 1.00 30.12 H new ATOM 0 HG22 ILE A 120 -3.149 2.214 1.767 1.00 30.12 H new ATOM 0 HG23 ILE A 120 -1.577 2.847 1.224 1.00 30.12 H new ATOM 0 HD11 ILE A 120 1.298 4.213 3.134 1.00 15.31 H new ATOM 0 HD12 ILE A 120 0.337 3.482 1.826 1.00 15.31 H new ATOM 0 HD13 ILE A 120 -0.015 5.140 2.370 1.00 15.31 H new ATOM 1710 N THR A 121 -5.167 4.668 3.562 1.00 4.34 N ATOM 1711 CA THR A 121 -6.620 4.581 3.369 1.00 23.22 C ATOM 1712 C THR A 121 -7.217 5.870 2.802 1.00 21.54 C ATOM 1713 O THR A 121 -8.101 5.795 1.948 1.00 55.15 O ATOM 1714 CB THR A 121 -7.364 4.129 4.628 1.00 71.31 C ATOM 1715 OG1 THR A 121 -6.911 4.757 5.812 1.00 14.30 O ATOM 1716 CG2 THR A 121 -7.237 2.620 4.817 1.00 73.53 C ATOM 0 H THR A 121 -4.874 4.730 4.537 1.00 4.34 H new ATOM 0 HA THR A 121 -6.765 3.802 2.620 1.00 23.22 H new ATOM 0 HB THR A 121 -8.402 4.420 4.467 1.00 71.31 H new ATOM 0 HG1 THR A 121 -6.385 5.551 5.581 1.00 14.30 H new ATOM 0 HG21 THR A 121 -7.773 2.320 5.717 1.00 73.53 H new ATOM 0 HG22 THR A 121 -7.662 2.108 3.954 1.00 73.53 H new ATOM 0 HG23 THR A 121 -6.185 2.353 4.915 1.00 73.53 H new ATOM 1724 N GLN A 122 -6.739 7.034 3.256 1.00 24.54 N ATOM 1725 CA GLN A 122 -7.199 8.344 2.805 1.00 52.23 C ATOM 1726 C GLN A 122 -7.066 8.386 1.285 1.00 73.12 C ATOM 1727 O GLN A 122 -8.008 8.746 0.583 1.00 34.35 O ATOM 1728 CB GLN A 122 -6.385 9.468 3.472 1.00 65.15 C ATOM 1729 CG GLN A 122 -6.693 9.641 4.964 1.00 1.02 C ATOM 1730 CD GLN A 122 -5.798 10.698 5.617 1.00 33.31 C ATOM 1731 OE1 GLN A 122 -4.730 10.405 6.159 1.00 62.52 O ATOM 1732 NE2 GLN A 122 -6.199 11.954 5.577 1.00 13.51 N ATOM 0 H GLN A 122 -6.006 7.088 3.963 1.00 24.54 H new ATOM 0 HA GLN A 122 -8.240 8.500 3.089 1.00 52.23 H new ATOM 0 HB2 GLN A 122 -5.322 9.258 3.350 1.00 65.15 H new ATOM 0 HB3 GLN A 122 -6.586 10.407 2.956 1.00 65.15 H new ATOM 0 HG2 GLN A 122 -7.738 9.925 5.088 1.00 1.02 H new ATOM 0 HG3 GLN A 122 -6.559 8.687 5.475 1.00 1.02 H new ATOM 0 HE21 GLN A 122 -7.083 12.193 5.128 1.00 13.51 H new ATOM 0 HE22 GLN A 122 -5.625 12.686 5.995 1.00 13.51 H new ATOM 1741 N LEU A 123 -5.917 7.942 0.770 1.00 43.14 N ATOM 1742 CA LEU A 123 -5.646 7.898 -0.657 1.00 43.50 C ATOM 1743 C LEU A 123 -6.688 7.032 -1.378 1.00 51.32 C ATOM 1744 O LEU A 123 -7.172 7.436 -2.438 1.00 35.35 O ATOM 1745 CB LEU A 123 -4.222 7.374 -0.888 1.00 2.10 C ATOM 1746 CG LEU A 123 -3.109 8.372 -0.510 1.00 12.33 C ATOM 1747 CD1 LEU A 123 -1.765 7.639 -0.429 1.00 52.13 C ATOM 1748 CD2 LEU A 123 -2.984 9.525 -1.510 1.00 2.13 C ATOM 0 H LEU A 123 -5.145 7.601 1.343 1.00 43.14 H new ATOM 0 HA LEU A 123 -5.718 8.903 -1.072 1.00 43.50 H new ATOM 0 HB2 LEU A 123 -4.086 6.460 -0.310 1.00 2.10 H new ATOM 0 HB3 LEU A 123 -4.112 7.106 -1.939 1.00 2.10 H new ATOM 0 HG LEU A 123 -3.379 8.798 0.456 1.00 12.33 H new ATOM 0 HD11 LEU A 123 -0.980 8.347 -0.162 1.00 52.13 H new ATOM 0 HD12 LEU A 123 -1.822 6.857 0.328 1.00 52.13 H new ATOM 0 HD13 LEU A 123 -1.536 7.191 -1.396 1.00 52.13 H new ATOM 0 HD21 LEU A 123 -2.185 10.196 -1.194 1.00 2.13 H new ATOM 0 HD22 LEU A 123 -2.753 9.126 -2.498 1.00 2.13 H new ATOM 0 HD23 LEU A 123 -3.925 10.074 -1.551 1.00 2.13 H new ATOM 1760 N VAL A 124 -7.043 5.850 -0.857 1.00 30.23 N ATOM 1761 CA VAL A 124 -8.042 4.990 -1.498 1.00 21.41 C ATOM 1762 C VAL A 124 -9.390 5.712 -1.523 1.00 73.32 C ATOM 1763 O VAL A 124 -10.012 5.787 -2.580 1.00 74.33 O ATOM 1764 CB VAL A 124 -8.184 3.624 -0.792 1.00 33.45 C ATOM 1765 CG1 VAL A 124 -9.191 2.694 -1.491 1.00 2.10 C ATOM 1766 CG2 VAL A 124 -6.871 2.846 -0.756 1.00 32.22 C ATOM 0 H VAL A 124 -6.653 5.469 0.005 1.00 30.23 H new ATOM 0 HA VAL A 124 -7.704 4.788 -2.515 1.00 21.41 H new ATOM 0 HB VAL A 124 -8.520 3.883 0.212 1.00 33.45 H new ATOM 0 HG11 VAL A 124 -9.249 1.749 -0.951 1.00 2.10 H new ATOM 0 HG12 VAL A 124 -10.174 3.166 -1.504 1.00 2.10 H new ATOM 0 HG13 VAL A 124 -8.865 2.508 -2.514 1.00 2.10 H new ATOM 0 HG21 VAL A 124 -7.026 1.894 -0.249 1.00 32.22 H new ATOM 0 HG22 VAL A 124 -6.528 2.663 -1.774 1.00 32.22 H new ATOM 0 HG23 VAL A 124 -6.120 3.425 -0.219 1.00 32.22 H new ATOM 1776 N SER A 125 -9.839 6.231 -0.378 1.00 15.21 N ATOM 1777 CA SER A 125 -11.105 6.936 -0.225 1.00 72.13 C ATOM 1778 C SER A 125 -11.205 8.106 -1.208 1.00 44.32 C ATOM 1779 O SER A 125 -12.209 8.252 -1.911 1.00 51.21 O ATOM 1780 CB SER A 125 -11.219 7.386 1.237 1.00 13.33 C ATOM 1781 OG SER A 125 -12.495 7.926 1.502 1.00 71.14 O ATOM 0 H SER A 125 -9.312 6.168 0.493 1.00 15.21 H new ATOM 0 HA SER A 125 -11.941 6.278 -0.462 1.00 72.13 H new ATOM 0 HB2 SER A 125 -11.035 6.539 1.897 1.00 13.33 H new ATOM 0 HB3 SER A 125 -10.453 8.131 1.453 1.00 13.33 H new ATOM 0 HG SER A 125 -12.544 8.204 2.440 1.00 71.14 H new ATOM 1787 N MET A 126 -10.160 8.932 -1.265 1.00 31.34 N ATOM 1788 CA MET A 126 -10.047 10.093 -2.131 1.00 13.30 C ATOM 1789 C MET A 126 -10.128 9.673 -3.599 1.00 52.00 C ATOM 1790 O MET A 126 -10.803 10.335 -4.390 1.00 43.42 O ATOM 1791 CB MET A 126 -8.722 10.787 -1.781 1.00 1.31 C ATOM 1792 CG MET A 126 -8.374 12.028 -2.613 1.00 22.25 C ATOM 1793 SD MET A 126 -7.693 11.788 -4.287 1.00 22.11 S ATOM 1794 CE MET A 126 -6.461 10.466 -4.066 1.00 22.41 C ATOM 0 H MET A 126 -9.335 8.799 -0.680 1.00 31.34 H new ATOM 0 HA MET A 126 -10.869 10.792 -1.978 1.00 13.30 H new ATOM 0 HB2 MET A 126 -8.752 11.075 -0.730 1.00 1.31 H new ATOM 0 HB3 MET A 126 -7.915 10.062 -1.890 1.00 1.31 H new ATOM 0 HG2 MET A 126 -9.278 12.629 -2.706 1.00 22.25 H new ATOM 0 HG3 MET A 126 -7.656 12.618 -2.044 1.00 22.25 H new ATOM 0 HE1 MET A 126 -5.705 10.539 -4.848 1.00 22.41 H new ATOM 0 HE2 MET A 126 -5.985 10.571 -3.091 1.00 22.41 H new ATOM 0 HE3 MET A 126 -6.954 9.496 -4.127 1.00 22.41 H new ATOM 1804 N PHE A 127 -9.463 8.578 -3.978 1.00 51.42 N ATOM 1805 CA PHE A 127 -9.485 8.115 -5.357 1.00 13.51 C ATOM 1806 C PHE A 127 -10.864 7.572 -5.713 1.00 62.00 C ATOM 1807 O PHE A 127 -11.492 8.056 -6.652 1.00 21.15 O ATOM 1808 CB PHE A 127 -8.364 7.113 -5.631 1.00 4.55 C ATOM 1809 CG PHE A 127 -8.154 6.863 -7.114 1.00 72.54 C ATOM 1810 CD1 PHE A 127 -7.114 7.530 -7.790 1.00 13.20 C ATOM 1811 CD2 PHE A 127 -9.039 6.044 -7.847 1.00 21.05 C ATOM 1812 CE1 PHE A 127 -6.978 7.405 -9.182 1.00 72.35 C ATOM 1813 CE2 PHE A 127 -8.898 5.915 -9.239 1.00 34.23 C ATOM 1814 CZ PHE A 127 -7.874 6.604 -9.909 1.00 63.51 C ATOM 0 H PHE A 127 -8.906 8.001 -3.347 1.00 51.42 H new ATOM 0 HA PHE A 127 -9.294 8.965 -6.012 1.00 13.51 H new ATOM 0 HB2 PHE A 127 -7.436 7.483 -5.194 1.00 4.55 H new ATOM 0 HB3 PHE A 127 -8.596 6.170 -5.137 1.00 4.55 H new ATOM 0 HD1 PHE A 127 -6.417 8.141 -7.235 1.00 13.20 H new ATOM 0 HD2 PHE A 127 -9.829 5.514 -7.335 1.00 21.05 H new ATOM 0 HE1 PHE A 127 -6.183 7.926 -9.695 1.00 72.35 H new ATOM 0 HE2 PHE A 127 -9.578 5.285 -9.794 1.00 34.23 H new ATOM 0 HZ PHE A 127 -7.776 6.518 -10.981 1.00 63.51 H new ATOM 1824 N ALA A 128 -11.342 6.589 -4.952 1.00 70.43 N ATOM 1825 CA ALA A 128 -12.621 5.929 -5.156 1.00 21.24 C ATOM 1826 C ALA A 128 -13.787 6.911 -5.282 1.00 61.01 C ATOM 1827 O ALA A 128 -14.488 6.911 -6.292 1.00 64.44 O ATOM 1828 CB ALA A 128 -12.856 4.939 -4.010 1.00 13.20 C ATOM 0 H ALA A 128 -10.829 6.221 -4.151 1.00 70.43 H new ATOM 0 HA ALA A 128 -12.579 5.398 -6.107 1.00 21.24 H new ATOM 0 HB1 ALA A 128 -13.813 4.438 -4.153 1.00 13.20 H new ATOM 0 HB2 ALA A 128 -12.057 4.198 -3.999 1.00 13.20 H new ATOM 0 HB3 ALA A 128 -12.866 5.476 -3.062 1.00 13.20 H new ATOM 1834 N GLN A 129 -13.998 7.747 -4.265 1.00 33.13 N ATOM 1835 CA GLN A 129 -15.091 8.714 -4.253 1.00 33.41 C ATOM 1836 C GLN A 129 -14.862 9.916 -5.176 1.00 34.51 C ATOM 1837 O GLN A 129 -15.837 10.554 -5.580 1.00 33.04 O ATOM 1838 CB GLN A 129 -15.296 9.208 -2.813 1.00 31.21 C ATOM 1839 CG GLN A 129 -15.781 8.129 -1.826 1.00 14.44 C ATOM 1840 CD GLN A 129 -17.159 7.537 -2.136 1.00 52.43 C ATOM 1841 OE1 GLN A 129 -17.437 6.408 -1.730 1.00 54.44 O ATOM 1842 NE2 GLN A 129 -18.052 8.257 -2.800 1.00 62.41 N ATOM 0 H GLN A 129 -13.415 7.771 -3.428 1.00 33.13 H new ATOM 0 HA GLN A 129 -15.976 8.201 -4.631 1.00 33.41 H new ATOM 0 HB2 GLN A 129 -14.355 9.620 -2.447 1.00 31.21 H new ATOM 0 HB3 GLN A 129 -16.019 10.024 -2.822 1.00 31.21 H new ATOM 0 HG2 GLN A 129 -15.051 7.320 -1.809 1.00 14.44 H new ATOM 0 HG3 GLN A 129 -15.804 8.559 -0.825 1.00 14.44 H new ATOM 0 HE21 GLN A 129 -17.810 9.191 -3.131 1.00 62.41 H new ATOM 0 HE22 GLN A 129 -18.981 7.877 -2.980 1.00 62.41 H new ATOM 1851 N ALA A 130 -13.609 10.236 -5.517 1.00 53.53 N ATOM 1852 CA ALA A 130 -13.207 11.358 -6.370 1.00 22.33 C ATOM 1853 C ALA A 130 -13.741 12.725 -5.905 1.00 43.44 C ATOM 1854 O ALA A 130 -13.698 13.703 -6.651 1.00 13.40 O ATOM 1855 CB ALA A 130 -13.487 11.054 -7.844 1.00 23.53 C ATOM 0 H ALA A 130 -12.810 9.693 -5.190 1.00 53.53 H new ATOM 0 HA ALA A 130 -12.127 11.460 -6.264 1.00 22.33 H new ATOM 0 HB1 ALA A 130 -13.180 11.903 -8.455 1.00 23.53 H new ATOM 0 HB2 ALA A 130 -12.928 10.168 -8.145 1.00 23.53 H new ATOM 0 HB3 ALA A 130 -14.553 10.875 -7.982 1.00 23.53 H new ATOM 1861 N GLY A 131 -14.203 12.836 -4.661 1.00 45.12 N ATOM 1862 CA GLY A 131 -14.735 14.049 -4.069 1.00 2.22 C ATOM 1863 C GLY A 131 -15.279 13.717 -2.686 1.00 10.44 C ATOM 1864 O GLY A 131 -15.467 12.542 -2.361 1.00 22.15 O ATOM 0 H GLY A 131 -14.215 12.046 -4.016 1.00 45.12 H new ATOM 0 HA2 GLY A 131 -13.956 14.808 -3.997 1.00 2.22 H new ATOM 0 HA3 GLY A 131 -15.525 14.462 -4.697 1.00 2.22 H new ATOM 1868 N MET A 132 -15.481 14.734 -1.848 1.00 63.44 N ATOM 1869 CA MET A 132 -16.001 14.617 -0.489 1.00 72.05 C ATOM 1870 C MET A 132 -16.409 16.018 -0.032 1.00 5.42 C ATOM 1871 O MET A 132 -15.658 16.974 -0.254 1.00 13.01 O ATOM 1872 CB MET A 132 -14.976 13.954 0.457 1.00 73.51 C ATOM 1873 CG MET A 132 -13.743 14.789 0.792 1.00 40.01 C ATOM 1874 SD MET A 132 -12.386 13.826 1.512 1.00 1.11 S ATOM 1875 CE MET A 132 -11.636 13.183 -0.010 1.00 64.32 C ATOM 0 H MET A 132 -15.278 15.699 -2.109 1.00 63.44 H new ATOM 0 HA MET A 132 -16.872 13.961 -0.466 1.00 72.05 H new ATOM 0 HB2 MET A 132 -15.482 13.698 1.388 1.00 73.51 H new ATOM 0 HB3 MET A 132 -14.646 13.018 0.006 1.00 73.51 H new ATOM 0 HG2 MET A 132 -13.389 15.278 -0.115 1.00 40.01 H new ATOM 0 HG3 MET A 132 -14.027 15.578 1.489 1.00 40.01 H new ATOM 0 HE1 MET A 132 -10.777 12.562 0.242 1.00 64.32 H new ATOM 0 HE2 MET A 132 -12.369 12.586 -0.553 1.00 64.32 H new ATOM 0 HE3 MET A 132 -11.311 14.015 -0.635 1.00 64.32 H new ATOM 1885 N ASN A 133 -17.598 16.147 0.563 1.00 30.24 N ATOM 1886 CA ASN A 133 -18.134 17.420 1.056 1.00 55.24 C ATOM 1887 C ASN A 133 -17.220 18.023 2.117 1.00 43.41 C ATOM 1888 O ASN A 133 -16.772 19.160 1.980 1.00 34.04 O ATOM 1889 CB ASN A 133 -19.559 17.268 1.630 1.00 4.10 C ATOM 1890 CG ASN A 133 -19.662 16.217 2.728 1.00 42.22 C ATOM 1891 OD1 ASN A 133 -19.538 15.031 2.436 1.00 64.41 O ATOM 1892 ND2 ASN A 133 -19.832 16.583 3.978 1.00 51.31 N ATOM 0 H ASN A 133 -18.225 15.358 0.718 1.00 30.24 H new ATOM 0 HA ASN A 133 -18.183 18.090 0.198 1.00 55.24 H new ATOM 0 HB2 ASN A 133 -19.887 18.229 2.026 1.00 4.10 H new ATOM 0 HB3 ASN A 133 -20.242 17.006 0.822 1.00 4.10 H new ATOM 0 HD21 ASN A 133 -19.862 15.879 4.716 1.00 51.31 H new ATOM 0 HD22 ASN A 133 -19.934 17.571 4.211 1.00 51.31 H new ATOM 1899 N ASP A 134 -16.941 17.244 3.152 1.00 63.35 N ATOM 1900 CA ASP A 134 -16.115 17.530 4.311 1.00 13.13 C ATOM 1901 C ASP A 134 -15.288 16.257 4.521 1.00 53.52 C ATOM 1902 O ASP A 134 -15.604 15.208 3.937 1.00 2.33 O ATOM 1903 CB ASP A 134 -16.981 17.813 5.556 1.00 71.12 C ATOM 1904 CG ASP A 134 -17.827 19.093 5.506 1.00 41.22 C ATOM 1905 OD1 ASP A 134 -18.852 19.094 4.779 1.00 11.12 O ATOM 1906 OD2 ASP A 134 -17.497 20.047 6.246 1.00 44.31 O ATOM 0 H ASP A 134 -17.328 16.302 3.204 1.00 63.35 H new ATOM 0 HA ASP A 134 -15.496 18.414 4.158 1.00 13.13 H new ATOM 0 HB2 ASP A 134 -17.648 16.965 5.711 1.00 71.12 H new ATOM 0 HB3 ASP A 134 -16.326 17.867 6.426 1.00 71.12 H new ATOM 1911 N VAL A 135 -14.274 16.313 5.383 1.00 31.10 N ATOM 1912 CA VAL A 135 -13.382 15.194 5.671 1.00 33.25 C ATOM 1913 C VAL A 135 -13.357 14.899 7.175 1.00 33.23 C ATOM 1914 O VAL A 135 -13.525 15.812 7.987 1.00 43.31 O ATOM 1915 CB VAL A 135 -12.012 15.529 5.044 1.00 11.45 C ATOM 1916 CG1 VAL A 135 -11.331 16.755 5.674 1.00 41.23 C ATOM 1917 CG2 VAL A 135 -11.047 14.344 5.080 1.00 72.35 C ATOM 0 H VAL A 135 -14.046 17.155 5.911 1.00 31.10 H new ATOM 0 HA VAL A 135 -13.727 14.261 5.226 1.00 33.25 H new ATOM 0 HB VAL A 135 -12.243 15.770 4.006 1.00 11.45 H new ATOM 0 HG11 VAL A 135 -10.373 16.931 5.184 1.00 41.23 H new ATOM 0 HG12 VAL A 135 -11.969 17.630 5.549 1.00 41.23 H new ATOM 0 HG13 VAL A 135 -11.167 16.574 6.736 1.00 41.23 H new ATOM 0 HG21 VAL A 135 -10.099 14.633 4.627 1.00 72.35 H new ATOM 0 HG22 VAL A 135 -10.878 14.043 6.114 1.00 72.35 H new ATOM 0 HG23 VAL A 135 -11.475 13.509 4.525 1.00 72.35 H new ATOM 1927 N SER A 136 -13.119 13.631 7.529 1.00 51.24 N ATOM 1928 CA SER A 136 -13.061 13.099 8.883 1.00 62.10 C ATOM 1929 C SER A 136 -12.048 13.835 9.764 1.00 72.52 C ATOM 1930 O SER A 136 -12.445 14.460 10.749 1.00 34.23 O ATOM 1931 CB SER A 136 -12.736 11.592 8.805 1.00 43.21 C ATOM 1932 OG SER A 136 -12.887 10.923 10.041 1.00 2.43 O ATOM 0 H SER A 136 -12.952 12.909 6.829 1.00 51.24 H new ATOM 0 HA SER A 136 -14.032 13.251 9.355 1.00 62.10 H new ATOM 0 HB2 SER A 136 -13.386 11.125 8.065 1.00 43.21 H new ATOM 0 HB3 SER A 136 -11.712 11.466 8.454 1.00 43.21 H new ATOM 0 HG SER A 136 -12.669 9.974 9.928 1.00 2.43 H new ATOM 1938 N ALA A 137 -10.758 13.687 9.441 1.00 12.25 N ATOM 1939 CA ALA A 137 -9.649 14.275 10.166 1.00 21.14 C ATOM 1940 C ALA A 137 -9.516 15.750 9.829 1.00 61.15 C ATOM 1941 O ALA A 137 -8.887 16.088 8.806 1.00 13.03 O ATOM 1942 CB ALA A 137 -8.369 13.497 9.862 1.00 53.10 C ATOM 0 H ALA A 137 -10.458 13.134 8.638 1.00 12.25 H new ATOM 0 HA ALA A 137 -9.835 14.209 11.238 1.00 21.14 H new ATOM 0 HB1 ALA A 137 -7.536 13.940 10.408 1.00 53.10 H new ATOM 0 HB2 ALA A 137 -8.493 12.459 10.169 1.00 53.10 H new ATOM 0 HB3 ALA A 137 -8.164 13.537 8.792 1.00 53.10 H new TER 1948 ALA A 137