USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 774 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 93 TYR OH : rot 27:sc= -5.3! USER MOD Set 1.2: A 94 HIS : no HE2:sc= -49.1! C(o=-54!,f=-55!) USER MOD Set 2.1: A 92 GLN : amide:sc= -20.9! C(o=-34!,f=-32!) USER MOD Set 2.2: A 95 GLN : amide:sc= -13! C(o=-34!,f=-30!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -143:sc= -7.63! (180deg=-11.5!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 39 SER OG : rot 50:sc= -3.74! USER MOD Set 4.2: A 44 THR OG1 : rot -70:sc= -7.68! USER MOD Set 4.3: A 46 THR OG1 : rot -62:sc= -0.253 USER MOD Set 4.4: A 65 HIS : no HD1:sc= -21.8! C(o=-33!,f=-35!) USER MOD Set 5.1: A 13 ASN : amide:sc= -26.8! C(o=-56!,f=-57!) USER MOD Set 5.2: A 35 MET CE :methyl -143:sc= -29.3! (180deg=-27.7!) USER MOD Single : A 8 THR OG1 : rot 13:sc= 0.876 USER MOD Single : A 9 TYR OH : rot 150:sc= -4.74! USER MOD Single : A 12 TYR OH : rot -110:sc= -1.9! USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= -5.77! (180deg=-8.12!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= -1.8! (180deg=-3.04!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 36:sc= -1.67! USER MOD Single : A 30 LYS NZ :NH3+ -115:sc= -3.03! (180deg=-8.47!) USER MOD Single : A 41 THR OG1 : rot -160:sc= -8.13! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -175:sc= -3.35! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= 0.507 (180deg=-0.471) USER MOD Single : A 63 HIS : no HE2:sc= -27! C(o=-27!,f=-28!) USER MOD Single : A 64 TYR OH : rot -50:sc= -16.7! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -89:sc= -0.0893 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -59:sc= 1.16 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.884! USER MOD Single : A 86 SER OG : rot 180:sc= -1.54! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.07! K(o=-3.1!,f=-0.22) USER MOD Single : A 103 THR OG1 : rot -43:sc= -4.43! USER MOD Single : A 107 TYR OH : rot -130:sc= 0.656 USER MOD Single : A 110 CYS SG : rot -43:sc= 0.475 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.856 8.306 5.710 1.00 0.00 N ATOM 36 CA LEU A 6 -5.746 7.596 6.335 1.00 0.00 C ATOM 37 C LEU A 6 -4.716 8.576 6.891 1.00 0.00 C ATOM 38 O LEU A 6 -4.820 9.014 8.034 1.00 0.00 O ATOM 39 CB LEU A 6 -5.088 6.643 5.332 1.00 0.00 C ATOM 40 CG LEU A 6 -5.876 6.404 4.044 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.999 5.717 3.013 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.119 5.575 4.330 1.00 0.00 C ATOM 0 HA LEU A 6 -6.142 7.011 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.107 7.039 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.924 5.683 5.822 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.192 7.367 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.571 5.552 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.137 6.346 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.658 4.759 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.670 5.413 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.826 4.613 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.753 6.104 5.041 1.00 0.00 H new ATOM 54 N GLU A 7 -3.725 8.917 6.078 1.00 0.00 N ATOM 55 CA GLU A 7 -2.680 9.840 6.494 1.00 0.00 C ATOM 56 C GLU A 7 -2.333 9.653 7.966 1.00 0.00 C ATOM 57 O GLU A 7 -2.058 10.617 8.678 1.00 0.00 O ATOM 58 CB GLU A 7 -3.102 11.286 6.230 1.00 0.00 C ATOM 59 CG GLU A 7 -4.588 11.445 5.957 1.00 0.00 C ATOM 60 CD GLU A 7 -4.876 12.472 4.878 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.969 13.672 5.211 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.008 12.074 3.702 1.00 0.00 O ATOM 0 H GLU A 7 -3.624 8.567 5.125 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.790 9.621 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.832 11.898 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.541 11.670 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.004 10.483 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.093 11.739 6.877 1.00 0.00 H new ATOM 69 N THR A 8 -2.347 8.403 8.409 1.00 0.00 N ATOM 70 CA THR A 8 -2.030 8.080 9.795 1.00 0.00 C ATOM 71 C THR A 8 -1.543 6.640 9.925 1.00 0.00 C ATOM 72 O THR A 8 -1.447 6.106 11.031 1.00 0.00 O ATOM 73 CB THR A 8 -3.262 8.289 10.673 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.137 7.581 11.893 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.541 7.837 10.006 1.00 0.00 C ATOM 0 H THR A 8 -2.574 7.595 7.829 1.00 0.00 H new ATOM 0 HA THR A 8 -1.231 8.744 10.124 1.00 0.00 H new ATOM 0 HB THR A 8 -3.318 9.363 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.210 7.285 12.006 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.382 8.010 10.677 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.690 8.400 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.475 6.774 9.774 1.00 0.00 H new ATOM 83 N TYR A 9 -1.242 6.008 8.793 1.00 0.00 N ATOM 84 CA TYR A 9 -0.777 4.630 8.794 1.00 0.00 C ATOM 85 C TYR A 9 0.708 4.544 8.508 1.00 0.00 C ATOM 86 O TYR A 9 1.213 5.182 7.583 1.00 0.00 O ATOM 87 CB TYR A 9 -1.541 3.819 7.757 1.00 0.00 C ATOM 88 CG TYR A 9 -3.018 3.798 8.036 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.554 2.857 8.900 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.872 4.727 7.456 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.902 2.835 9.180 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.224 4.714 7.734 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.735 3.766 8.597 1.00 0.00 C ATOM 94 OH TYR A 9 -7.082 3.749 8.876 1.00 0.00 O ATOM 0 H TYR A 9 -1.313 6.430 7.867 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.958 4.221 9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.365 4.239 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.160 2.798 7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.904 2.129 9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.474 5.468 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.305 2.092 9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.879 5.442 7.278 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.440 4.659 8.815 1.00 0.00 H new ATOM 104 N GLU A 10 1.405 3.733 9.289 1.00 0.00 N ATOM 105 CA GLU A 10 2.828 3.549 9.094 1.00 0.00 C ATOM 106 C GLU A 10 3.118 3.388 7.610 1.00 0.00 C ATOM 107 O GLU A 10 4.249 3.572 7.160 1.00 0.00 O ATOM 108 CB GLU A 10 3.311 2.315 9.856 1.00 0.00 C ATOM 109 CG GLU A 10 4.424 1.563 9.149 1.00 0.00 C ATOM 110 CD GLU A 10 5.453 1.004 10.111 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.161 -0.018 10.766 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.553 1.589 10.211 1.00 0.00 O ATOM 0 H GLU A 10 1.007 3.196 10.059 1.00 0.00 H new ATOM 0 HA GLU A 10 3.357 4.423 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.660 2.621 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.469 1.641 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.994 0.747 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.917 2.231 8.443 1.00 0.00 H new ATOM 119 N TRP A 11 2.083 3.018 6.858 1.00 0.00 N ATOM 120 CA TRP A 11 2.216 2.804 5.429 1.00 0.00 C ATOM 121 C TRP A 11 1.792 4.018 4.608 1.00 0.00 C ATOM 122 O TRP A 11 2.419 4.338 3.601 1.00 0.00 O ATOM 123 CB TRP A 11 1.371 1.610 5.015 1.00 0.00 C ATOM 124 CG TRP A 11 0.054 1.510 5.740 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.228 0.781 6.865 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.173 2.139 5.358 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.562 0.916 7.192 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.159 1.748 6.282 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.531 2.995 4.322 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.480 2.183 6.193 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.837 3.429 4.233 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.799 3.022 5.161 1.00 0.00 C ATOM 0 H TRP A 11 1.143 2.861 7.221 1.00 0.00 H new ATOM 0 HA TRP A 11 3.272 2.624 5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.181 1.667 3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.940 0.697 5.190 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.488 0.188 7.415 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.027 0.469 7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.797 3.315 3.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.223 1.870 6.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.121 4.095 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.814 3.377 5.061 1.00 0.00 H new ATOM 143 N TYR A 12 0.708 4.667 5.005 1.00 0.00 N ATOM 144 CA TYR A 12 0.208 5.809 4.251 1.00 0.00 C ATOM 145 C TYR A 12 1.196 6.961 4.180 1.00 0.00 C ATOM 146 O TYR A 12 1.952 7.223 5.115 1.00 0.00 O ATOM 147 CB TYR A 12 -1.105 6.327 4.809 1.00 0.00 C ATOM 148 CG TYR A 12 -1.670 7.398 3.921 1.00 0.00 C ATOM 149 CD1 TYR A 12 -1.287 8.721 4.073 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.555 7.082 2.904 1.00 0.00 C ATOM 151 CE1 TYR A 12 -1.778 9.705 3.239 1.00 0.00 C ATOM 152 CE2 TYR A 12 -3.048 8.054 2.064 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.659 9.366 2.233 1.00 0.00 C ATOM 154 OH TYR A 12 -3.151 10.342 1.396 1.00 0.00 O ATOM 0 H TYR A 12 0.163 4.428 5.833 1.00 0.00 H new ATOM 0 HA TYR A 12 0.053 5.429 3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.818 5.507 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.949 6.724 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.593 8.986 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.863 6.056 2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.475 10.733 3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.737 7.790 1.275 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.103 10.483 1.582 1.00 0.00 H new ATOM 164 N ASN A 13 1.152 7.649 3.045 1.00 0.00 N ATOM 165 CA ASN A 13 2.003 8.795 2.787 1.00 0.00 C ATOM 166 C ASN A 13 1.253 9.815 1.929 1.00 0.00 C ATOM 167 O ASN A 13 1.189 9.683 0.709 1.00 0.00 O ATOM 168 CB ASN A 13 3.277 8.327 2.091 1.00 0.00 C ATOM 169 CG ASN A 13 4.153 7.512 3.020 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.656 6.750 3.850 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.463 7.669 2.894 1.00 0.00 N ATOM 0 H ASN A 13 0.520 7.423 2.277 1.00 0.00 H new ATOM 0 HA ASN A 13 2.274 9.276 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.016 7.729 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.834 9.192 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.099 7.148 3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.835 8.310 2.193 1.00 0.00 H new ATOM 178 N LYS A 14 0.670 10.816 2.592 1.00 0.00 N ATOM 179 CA LYS A 14 -0.113 11.871 1.934 1.00 0.00 C ATOM 180 C LYS A 14 0.113 11.938 0.417 1.00 0.00 C ATOM 181 O LYS A 14 0.174 10.912 -0.257 1.00 0.00 O ATOM 182 CB LYS A 14 0.172 13.228 2.594 1.00 0.00 C ATOM 183 CG LYS A 14 1.648 13.513 2.818 1.00 0.00 C ATOM 184 CD LYS A 14 2.404 13.621 1.507 1.00 0.00 C ATOM 185 CE LYS A 14 2.804 12.251 0.993 1.00 0.00 C ATOM 186 NZ LYS A 14 4.105 11.805 1.562 1.00 0.00 N ATOM 0 H LYS A 14 0.726 10.920 3.605 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.164 11.617 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.249 14.018 1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.344 13.269 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.758 14.441 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.084 12.720 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.783 14.124 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.294 14.235 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.029 11.527 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.873 12.277 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.752 11.549 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.522 12.576 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.951 10.978 2.173 1.00 0.00 H new ATOM 200 N SER A 15 0.193 13.156 -0.122 1.00 0.00 N ATOM 201 CA SER A 15 0.369 13.359 -1.560 1.00 0.00 C ATOM 202 C SER A 15 1.677 12.764 -2.071 1.00 0.00 C ATOM 203 O SER A 15 2.421 13.419 -2.801 1.00 0.00 O ATOM 204 CB SER A 15 0.318 14.852 -1.889 1.00 0.00 C ATOM 205 OG SER A 15 -0.961 15.227 -2.370 1.00 0.00 O ATOM 0 H SER A 15 0.138 14.019 0.419 1.00 0.00 H new ATOM 0 HA SER A 15 -0.448 12.840 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.559 15.432 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.075 15.088 -2.637 1.00 0.00 H new ATOM 0 HG SER A 15 -0.967 16.186 -2.571 1.00 0.00 H new ATOM 211 N ILE A 16 1.955 11.525 -1.688 1.00 0.00 N ATOM 212 CA ILE A 16 3.167 10.850 -2.107 1.00 0.00 C ATOM 213 C ILE A 16 3.165 10.509 -3.590 1.00 0.00 C ATOM 214 O ILE A 16 2.118 10.472 -4.238 1.00 0.00 O ATOM 215 CB ILE A 16 3.362 9.547 -1.324 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.579 9.665 -0.428 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.503 8.368 -2.275 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.259 8.341 -0.165 1.00 0.00 C ATOM 0 H ILE A 16 1.351 10.968 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 16 3.981 11.547 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 16 2.484 9.372 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.294 10.348 -0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.280 10.107 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.641 7.452 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.603 8.283 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.366 8.524 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.122 8.497 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.558 7.662 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.588 7.907 -1.109 1.00 0.00 H new ATOM 230 N SER A 17 4.355 10.226 -4.101 1.00 0.00 N ATOM 231 CA SER A 17 4.537 9.841 -5.490 1.00 0.00 C ATOM 232 C SER A 17 5.278 8.512 -5.551 1.00 0.00 C ATOM 233 O SER A 17 6.149 8.245 -4.722 1.00 0.00 O ATOM 234 CB SER A 17 5.312 10.917 -6.252 1.00 0.00 C ATOM 235 OG SER A 17 4.716 11.180 -7.511 1.00 0.00 O ATOM 0 H SER A 17 5.221 10.257 -3.563 1.00 0.00 H new ATOM 0 HA SER A 17 3.560 9.733 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.343 11.833 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.343 10.594 -6.395 1.00 0.00 H new ATOM 0 HG SER A 17 5.229 11.872 -7.978 1.00 0.00 H new ATOM 241 N ARG A 18 4.931 7.674 -6.516 1.00 0.00 N ATOM 242 CA ARG A 18 5.573 6.374 -6.650 1.00 0.00 C ATOM 243 C ARG A 18 7.093 6.511 -6.613 1.00 0.00 C ATOM 244 O ARG A 18 7.805 5.577 -6.249 1.00 0.00 O ATOM 245 CB ARG A 18 5.139 5.701 -7.953 1.00 0.00 C ATOM 246 CG ARG A 18 6.286 5.438 -8.916 1.00 0.00 C ATOM 247 CD ARG A 18 6.584 6.658 -9.774 1.00 0.00 C ATOM 248 NE ARG A 18 7.842 6.519 -10.502 1.00 0.00 N ATOM 249 CZ ARG A 18 8.056 5.598 -11.435 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.097 4.737 -11.750 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.226 5.534 -12.052 1.00 0.00 N ATOM 0 H ARG A 18 4.213 7.868 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 18 5.263 5.754 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.649 4.756 -7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.398 6.330 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.178 5.160 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.037 4.593 -9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.770 6.811 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.627 7.545 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 18 8.599 7.166 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.195 4.782 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.262 4.030 -12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.966 6.193 -11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.387 4.826 -12.768 1.00 0.00 H new ATOM 265 N ASP A 19 7.582 7.682 -7.001 1.00 0.00 N ATOM 266 CA ASP A 19 9.017 7.949 -7.024 1.00 0.00 C ATOM 267 C ASP A 19 9.598 8.141 -5.620 1.00 0.00 C ATOM 268 O ASP A 19 10.710 7.695 -5.338 1.00 0.00 O ATOM 269 CB ASP A 19 9.302 9.191 -7.868 1.00 0.00 C ATOM 270 CG ASP A 19 10.587 9.066 -8.664 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.580 8.548 -8.111 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.601 9.489 -9.839 1.00 0.00 O ATOM 0 H ASP A 19 7.004 8.466 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 19 9.499 7.076 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.470 9.362 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.364 10.063 -7.217 1.00 0.00 H new ATOM 277 N LYS A 20 8.859 8.833 -4.755 1.00 0.00 N ATOM 278 CA LYS A 20 9.332 9.110 -3.399 1.00 0.00 C ATOM 279 C LYS A 20 9.212 7.903 -2.474 1.00 0.00 C ATOM 280 O LYS A 20 10.160 7.570 -1.756 1.00 0.00 O ATOM 281 CB LYS A 20 8.563 10.289 -2.803 1.00 0.00 C ATOM 282 CG LYS A 20 8.428 11.467 -3.750 1.00 0.00 C ATOM 283 CD LYS A 20 7.066 11.484 -4.421 1.00 0.00 C ATOM 284 CE LYS A 20 6.133 12.489 -3.763 1.00 0.00 C ATOM 285 NZ LYS A 20 5.834 13.639 -4.661 1.00 0.00 N ATOM 0 H LYS A 20 7.935 9.211 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 20 10.391 9.355 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.568 9.953 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.067 10.619 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.576 12.397 -3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.209 11.417 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.182 11.731 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.623 10.489 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.203 11.993 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.586 12.856 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.008 14.530 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.447 13.593 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.838 13.598 -4.958 1.00 0.00 H new ATOM 299 N ALA A 21 8.049 7.257 -2.471 1.00 0.00 N ATOM 300 CA ALA A 21 7.838 6.107 -1.600 1.00 0.00 C ATOM 301 C ALA A 21 8.981 5.109 -1.743 1.00 0.00 C ATOM 302 O ALA A 21 9.609 4.726 -0.761 1.00 0.00 O ATOM 303 CB ALA A 21 6.490 5.455 -1.863 1.00 0.00 C ATOM 0 H ALA A 21 7.249 7.506 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 21 7.828 6.459 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.363 4.601 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.695 6.178 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.445 5.118 -2.899 1.00 0.00 H new ATOM 309 N GLU A 22 9.274 4.709 -2.968 1.00 0.00 N ATOM 310 CA GLU A 22 10.367 3.783 -3.202 1.00 0.00 C ATOM 311 C GLU A 22 11.648 4.355 -2.603 1.00 0.00 C ATOM 312 O GLU A 22 12.386 3.664 -1.891 1.00 0.00 O ATOM 313 CB GLU A 22 10.547 3.545 -4.702 1.00 0.00 C ATOM 314 CG GLU A 22 9.308 2.989 -5.384 1.00 0.00 C ATOM 315 CD GLU A 22 9.623 1.836 -6.316 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.821 1.551 -6.523 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.672 1.218 -6.839 1.00 0.00 O ATOM 0 H GLU A 22 8.777 5.007 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 22 10.139 2.829 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.823 4.485 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.376 2.854 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.599 2.655 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.820 3.784 -5.948 1.00 0.00 H new ATOM 324 N LYS A 23 11.888 5.636 -2.877 1.00 0.00 N ATOM 325 CA LYS A 23 13.058 6.322 -2.353 1.00 0.00 C ATOM 326 C LYS A 23 13.057 6.248 -0.834 1.00 0.00 C ATOM 327 O LYS A 23 14.054 5.870 -0.218 1.00 0.00 O ATOM 328 CB LYS A 23 13.073 7.783 -2.810 1.00 0.00 C ATOM 329 CG LYS A 23 12.690 8.770 -1.718 1.00 0.00 C ATOM 330 CD LYS A 23 13.824 8.973 -0.727 1.00 0.00 C ATOM 331 CE LYS A 23 13.616 10.227 0.108 1.00 0.00 C ATOM 332 NZ LYS A 23 14.333 10.152 1.410 1.00 0.00 N ATOM 0 H LYS A 23 11.285 6.217 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 23 13.954 5.833 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.069 8.029 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.387 7.899 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.423 9.726 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.807 8.408 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.895 8.105 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.770 9.045 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.965 11.096 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.551 10.371 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.166 11.026 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.982 9.337 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.353 10.041 1.239 1.00 0.00 H new ATOM 346 N LEU A 24 11.921 6.592 -0.236 1.00 0.00 N ATOM 347 CA LEU A 24 11.782 6.541 1.212 1.00 0.00 C ATOM 348 C LEU A 24 11.852 5.096 1.683 1.00 0.00 C ATOM 349 O LEU A 24 12.406 4.799 2.740 1.00 0.00 O ATOM 350 CB LEU A 24 10.461 7.170 1.651 1.00 0.00 C ATOM 351 CG LEU A 24 9.254 6.800 0.790 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.735 5.417 1.154 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.156 7.841 0.939 1.00 0.00 C ATOM 0 H LEU A 24 11.087 6.908 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 24 12.598 7.108 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.259 6.874 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.573 8.254 1.647 1.00 0.00 H new ATOM 0 HG LEU A 24 9.571 6.779 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.876 5.175 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.521 4.679 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.436 5.405 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.304 7.562 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.844 7.894 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.532 8.814 0.623 1.00 0.00 H new ATOM 365 N LEU A 25 11.295 4.196 0.875 1.00 0.00 N ATOM 366 CA LEU A 25 11.306 2.777 1.194 1.00 0.00 C ATOM 367 C LEU A 25 12.734 2.262 1.164 1.00 0.00 C ATOM 368 O LEU A 25 13.153 1.499 2.034 1.00 0.00 O ATOM 369 CB LEU A 25 10.441 1.996 0.204 1.00 0.00 C ATOM 370 CG LEU A 25 9.019 1.695 0.685 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.185 1.101 -0.439 1.00 0.00 C ATOM 372 CD2 LEU A 25 9.058 0.757 1.880 1.00 0.00 C ATOM 0 H LEU A 25 10.832 4.428 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 25 10.892 2.635 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.382 2.560 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.938 1.053 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 25 8.551 2.630 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.178 0.895 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.134 1.808 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.644 0.174 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.041 0.550 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.543 -0.176 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.618 1.224 2.691 1.00 0.00 H new ATOM 384 N LEU A 26 13.482 2.705 0.160 1.00 0.00 N ATOM 385 CA LEU A 26 14.874 2.311 0.017 1.00 0.00 C ATOM 386 C LEU A 26 15.634 2.554 1.318 1.00 0.00 C ATOM 387 O LEU A 26 16.702 1.985 1.541 1.00 0.00 O ATOM 388 CB LEU A 26 15.533 3.085 -1.125 1.00 0.00 C ATOM 389 CG LEU A 26 15.345 2.475 -2.516 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.462 1.240 -2.441 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.751 3.501 -3.470 1.00 0.00 C ATOM 0 H LEU A 26 13.145 3.337 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 26 14.906 1.246 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.134 4.099 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.601 3.164 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 26 16.321 2.175 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.339 0.819 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.927 0.500 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.486 1.514 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.624 3.051 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.783 3.830 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.421 4.358 -3.546 1.00 0.00 H new ATOM 403 N ASP A 27 15.073 3.405 2.179 1.00 0.00 N ATOM 404 CA ASP A 27 15.698 3.719 3.456 1.00 0.00 C ATOM 405 C ASP A 27 15.437 2.605 4.457 1.00 0.00 C ATOM 406 O ASP A 27 16.312 2.240 5.243 1.00 0.00 O ATOM 407 CB ASP A 27 15.166 5.047 3.999 1.00 0.00 C ATOM 408 CG ASP A 27 14.799 6.017 2.893 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.181 5.766 1.731 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.130 7.029 3.190 1.00 0.00 O ATOM 0 H ASP A 27 14.189 3.886 2.012 1.00 0.00 H new ATOM 0 HA ASP A 27 16.773 3.810 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.290 4.858 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.919 5.502 4.642 1.00 0.00 H new ATOM 415 N THR A 28 14.227 2.062 4.413 1.00 0.00 N ATOM 416 CA THR A 28 13.845 0.980 5.305 1.00 0.00 C ATOM 417 C THR A 28 14.646 -0.270 4.991 1.00 0.00 C ATOM 418 O THR A 28 15.275 -0.860 5.869 1.00 0.00 O ATOM 419 CB THR A 28 12.357 0.672 5.154 1.00 0.00 C ATOM 420 OG1 THR A 28 11.902 1.016 3.858 1.00 0.00 O ATOM 421 CG2 THR A 28 11.489 1.400 6.150 1.00 0.00 C ATOM 0 H THR A 28 13.494 2.355 3.767 1.00 0.00 H new ATOM 0 HA THR A 28 14.050 1.293 6.329 1.00 0.00 H new ATOM 0 HB THR A 28 12.267 -0.399 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.608 0.832 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.445 1.135 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.780 1.117 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.614 2.475 6.024 1.00 0.00 H new ATOM 429 N GLY A 29 14.597 -0.679 3.730 1.00 0.00 N ATOM 430 CA GLY A 29 15.305 -1.875 3.320 1.00 0.00 C ATOM 431 C GLY A 29 14.612 -3.108 3.846 1.00 0.00 C ATOM 432 O GLY A 29 15.234 -4.146 4.071 1.00 0.00 O ATOM 0 H GLY A 29 14.082 -0.206 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.359 -1.918 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.330 -1.842 3.689 1.00 0.00 H new ATOM 436 N LYS A 30 13.312 -2.966 4.063 1.00 0.00 N ATOM 437 CA LYS A 30 12.490 -4.038 4.595 1.00 0.00 C ATOM 438 C LYS A 30 11.885 -4.894 3.498 1.00 0.00 C ATOM 439 O LYS A 30 11.567 -4.406 2.414 1.00 0.00 O ATOM 440 CB LYS A 30 11.353 -3.447 5.418 1.00 0.00 C ATOM 441 CG LYS A 30 11.806 -2.718 6.662 1.00 0.00 C ATOM 442 CD LYS A 30 11.230 -3.370 7.900 1.00 0.00 C ATOM 443 CE LYS A 30 9.803 -3.822 7.651 1.00 0.00 C ATOM 444 NZ LYS A 30 9.179 -4.383 8.880 1.00 0.00 N ATOM 0 H LYS A 30 12.800 -2.104 3.875 1.00 0.00 H new ATOM 0 HA LYS A 30 13.137 -4.666 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.786 -2.758 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.673 -4.248 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.895 -2.721 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.492 -1.675 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.843 -4.225 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.254 -2.667 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.211 -2.978 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.792 -4.574 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.978 -5.393 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.830 -4.270 9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.292 -3.878 9.080 1.00 0.00 H new ATOM 458 N GLU A 31 11.685 -6.167 3.808 1.00 0.00 N ATOM 459 CA GLU A 31 11.066 -7.080 2.868 1.00 0.00 C ATOM 460 C GLU A 31 9.554 -6.979 3.005 1.00 0.00 C ATOM 461 O GLU A 31 8.976 -7.433 3.991 1.00 0.00 O ATOM 462 CB GLU A 31 11.526 -8.516 3.128 1.00 0.00 C ATOM 463 CG GLU A 31 10.381 -9.492 3.341 1.00 0.00 C ATOM 464 CD GLU A 31 10.835 -10.938 3.313 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.681 -11.311 4.154 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.348 -11.697 2.451 1.00 0.00 O ATOM 0 H GLU A 31 11.943 -6.587 4.701 1.00 0.00 H new ATOM 0 HA GLU A 31 11.363 -6.810 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.128 -8.854 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.171 -8.529 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.904 -9.283 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.628 -9.337 2.569 1.00 0.00 H new ATOM 473 N GLY A 32 8.924 -6.370 2.015 1.00 0.00 N ATOM 474 CA GLY A 32 7.491 -6.204 2.042 1.00 0.00 C ATOM 475 C GLY A 32 7.084 -4.880 2.654 1.00 0.00 C ATOM 476 O GLY A 32 5.976 -4.748 3.173 1.00 0.00 O ATOM 0 H GLY A 32 9.384 -5.986 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.099 -6.270 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.042 -7.019 2.610 1.00 0.00 H new ATOM 480 N ALA A 33 7.973 -3.888 2.586 1.00 0.00 N ATOM 481 CA ALA A 33 7.665 -2.574 3.135 1.00 0.00 C ATOM 482 C ALA A 33 6.376 -2.057 2.507 1.00 0.00 C ATOM 483 O ALA A 33 6.242 -2.057 1.282 1.00 0.00 O ATOM 484 CB ALA A 33 8.814 -1.612 2.891 1.00 0.00 C ATOM 0 H ALA A 33 8.897 -3.970 2.162 1.00 0.00 H new ATOM 0 HA ALA A 33 7.526 -2.655 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.566 -0.636 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.716 -1.993 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.986 -1.516 1.819 1.00 0.00 H new ATOM 490 N PHE A 34 5.415 -1.654 3.330 1.00 0.00 N ATOM 491 CA PHE A 34 4.137 -1.186 2.802 1.00 0.00 C ATOM 492 C PHE A 34 3.831 0.275 3.122 1.00 0.00 C ATOM 493 O PHE A 34 3.908 0.708 4.265 1.00 0.00 O ATOM 494 CB PHE A 34 2.995 -2.036 3.339 1.00 0.00 C ATOM 495 CG PHE A 34 1.685 -1.335 3.190 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.200 -1.058 1.934 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.957 -0.920 4.287 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.013 -0.383 1.769 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.219 -0.244 4.129 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.697 0.031 2.871 1.00 0.00 C ATOM 0 H PHE A 34 5.492 -1.641 4.347 1.00 0.00 H new ATOM 0 HA PHE A 34 4.226 -1.277 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.964 -2.987 2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.171 -2.264 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.758 -1.375 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.322 -1.132 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.360 -0.179 0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.776 0.076 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.625 0.569 2.748 1.00 0.00 H new ATOM 510 N MET A 35 3.436 1.021 2.099 1.00 0.00 N ATOM 511 CA MET A 35 3.069 2.420 2.275 1.00 0.00 C ATOM 512 C MET A 35 1.869 2.764 1.395 1.00 0.00 C ATOM 513 O MET A 35 1.499 1.984 0.519 1.00 0.00 O ATOM 514 CB MET A 35 4.253 3.325 1.940 1.00 0.00 C ATOM 515 CG MET A 35 3.885 4.789 1.780 1.00 0.00 C ATOM 516 SD MET A 35 5.206 5.738 1.024 1.00 0.00 S ATOM 517 CE MET A 35 6.472 5.510 2.263 1.00 0.00 C ATOM 0 H MET A 35 3.362 0.682 1.140 1.00 0.00 H new ATOM 0 HA MET A 35 2.794 2.582 3.317 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.002 3.233 2.727 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.716 2.974 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.985 4.872 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.648 5.212 2.756 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.050 6.428 2.365 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.007 5.266 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.133 4.697 1.963 1.00 0.00 H new ATOM 527 N VAL A 36 1.260 3.924 1.623 1.00 0.00 N ATOM 528 CA VAL A 36 0.107 4.338 0.823 1.00 0.00 C ATOM 529 C VAL A 36 0.194 5.802 0.432 1.00 0.00 C ATOM 530 O VAL A 36 0.780 6.616 1.145 1.00 0.00 O ATOM 531 CB VAL A 36 -1.235 4.087 1.537 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.387 4.655 0.722 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.432 2.602 1.778 1.00 0.00 C ATOM 0 H VAL A 36 1.539 4.588 2.345 1.00 0.00 H new ATOM 0 HA VAL A 36 0.138 3.720 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.217 4.595 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.327 4.469 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.249 5.729 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.412 4.175 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.384 2.439 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.432 2.075 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.621 2.224 2.401 1.00 0.00 H new ATOM 543 N ARG A 37 -0.390 6.128 -0.712 1.00 0.00 N ATOM 544 CA ARG A 37 -0.379 7.492 -1.213 1.00 0.00 C ATOM 545 C ARG A 37 -1.662 7.796 -1.981 1.00 0.00 C ATOM 546 O ARG A 37 -2.071 7.034 -2.858 1.00 0.00 O ATOM 547 CB ARG A 37 0.854 7.712 -2.096 1.00 0.00 C ATOM 548 CG ARG A 37 0.545 7.820 -3.579 1.00 0.00 C ATOM 549 CD ARG A 37 1.464 6.928 -4.393 1.00 0.00 C ATOM 550 NE ARG A 37 1.479 7.296 -5.805 1.00 0.00 N ATOM 551 CZ ARG A 37 2.035 6.550 -6.755 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.620 5.402 -6.441 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.007 6.952 -8.018 1.00 0.00 N ATOM 0 H ARG A 37 -0.879 5.463 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.329 8.178 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.360 8.622 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.551 6.888 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.493 7.540 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.656 8.855 -3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.476 6.989 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.144 5.891 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 37 1.038 8.174 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.644 5.091 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.046 4.830 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.558 7.835 -8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.434 6.378 -8.745 1.00 0.00 H new ATOM 567 N ASP A 38 -2.301 8.906 -1.630 1.00 0.00 N ATOM 568 CA ASP A 38 -3.549 9.312 -2.269 1.00 0.00 C ATOM 569 C ASP A 38 -3.371 9.503 -3.771 1.00 0.00 C ATOM 570 O ASP A 38 -2.302 9.893 -4.238 1.00 0.00 O ATOM 571 CB ASP A 38 -4.072 10.602 -1.637 1.00 0.00 C ATOM 572 CG ASP A 38 -5.552 10.813 -1.893 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.280 9.807 -2.029 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.983 11.983 -1.957 1.00 0.00 O ATOM 0 H ASP A 38 -1.975 9.544 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.276 8.514 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.892 10.576 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.513 11.450 -2.033 1.00 0.00 H new ATOM 579 N SER A 39 -4.434 9.224 -4.520 1.00 0.00 N ATOM 580 CA SER A 39 -4.411 9.362 -5.970 1.00 0.00 C ATOM 581 C SER A 39 -5.567 10.233 -6.452 1.00 0.00 C ATOM 582 O SER A 39 -5.450 11.457 -6.522 1.00 0.00 O ATOM 583 CB SER A 39 -4.489 7.986 -6.632 1.00 0.00 C ATOM 584 OG SER A 39 -3.253 7.299 -6.530 1.00 0.00 O ATOM 0 H SER A 39 -5.325 8.900 -4.143 1.00 0.00 H new ATOM 0 HA SER A 39 -3.474 9.843 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.276 7.397 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.760 8.099 -7.682 1.00 0.00 H new ATOM 0 HG SER A 39 -2.939 7.326 -5.602 1.00 0.00 H new ATOM 590 N ARG A 40 -6.681 9.591 -6.783 1.00 0.00 N ATOM 591 CA ARG A 40 -7.864 10.296 -7.261 1.00 0.00 C ATOM 592 C ARG A 40 -8.948 9.306 -7.677 1.00 0.00 C ATOM 593 O ARG A 40 -9.517 8.608 -6.838 1.00 0.00 O ATOM 594 CB ARG A 40 -7.505 11.204 -8.438 1.00 0.00 C ATOM 595 CG ARG A 40 -8.654 12.084 -8.901 1.00 0.00 C ATOM 596 CD ARG A 40 -8.308 12.826 -10.182 1.00 0.00 C ATOM 597 NE ARG A 40 -7.041 13.543 -10.074 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.839 14.557 -9.240 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.817 14.971 -8.446 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.658 15.159 -9.200 1.00 0.00 N ATOM 0 H ARG A 40 -6.790 8.578 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.247 10.910 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.665 11.838 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.171 10.588 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.541 11.471 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.901 12.802 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.254 12.117 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.105 13.531 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.268 13.249 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.727 14.511 -8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.660 15.750 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.904 14.843 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.504 15.938 -8.559 1.00 0.00 H new ATOM 614 N THR A 41 -9.220 9.242 -8.975 1.00 0.00 N ATOM 615 CA THR A 41 -10.228 8.327 -9.497 1.00 0.00 C ATOM 616 C THR A 41 -11.343 8.124 -8.467 1.00 0.00 C ATOM 617 O THR A 41 -11.521 8.957 -7.578 1.00 0.00 O ATOM 618 CB THR A 41 -9.558 7.003 -9.871 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.261 6.351 -10.913 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.434 6.043 -8.709 1.00 0.00 C ATOM 0 H THR A 41 -8.758 9.811 -9.684 1.00 0.00 H new ATOM 0 HA THR A 41 -10.685 8.749 -10.392 1.00 0.00 H new ATOM 0 HB THR A 41 -8.554 7.274 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.025 5.400 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.950 5.126 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.836 6.501 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.426 5.810 -8.322 1.00 0.00 H new ATOM 628 N PRO A 42 -12.122 7.028 -8.563 1.00 0.00 N ATOM 629 CA PRO A 42 -13.217 6.757 -7.628 1.00 0.00 C ATOM 630 C PRO A 42 -12.884 7.114 -6.178 1.00 0.00 C ATOM 631 O PRO A 42 -13.759 7.087 -5.314 1.00 0.00 O ATOM 632 CB PRO A 42 -13.422 5.255 -7.786 1.00 0.00 C ATOM 633 CG PRO A 42 -13.112 5.000 -9.219 1.00 0.00 C ATOM 634 CD PRO A 42 -12.015 5.970 -9.589 1.00 0.00 C ATOM 0 HA PRO A 42 -14.099 7.359 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.762 4.690 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.443 4.963 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.789 3.970 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.994 5.153 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.035 5.492 -9.571 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.156 6.370 -10.593 1.00 0.00 H new ATOM 642 N GLY A 43 -11.626 7.458 -5.915 1.00 0.00 N ATOM 643 CA GLY A 43 -11.232 7.823 -4.565 1.00 0.00 C ATOM 644 C GLY A 43 -10.289 6.826 -3.930 1.00 0.00 C ATOM 645 O GLY A 43 -10.104 6.824 -2.714 1.00 0.00 O ATOM 0 H GLY A 43 -10.877 7.491 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.755 8.803 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.124 7.915 -3.945 1.00 0.00 H new ATOM 649 N THR A 44 -9.695 5.979 -4.752 1.00 0.00 N ATOM 650 CA THR A 44 -8.765 4.970 -4.265 1.00 0.00 C ATOM 651 C THR A 44 -7.474 5.604 -3.768 1.00 0.00 C ATOM 652 O THR A 44 -7.189 6.769 -4.041 1.00 0.00 O ATOM 653 CB THR A 44 -8.427 3.987 -5.380 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.074 3.576 -5.293 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.643 4.565 -6.758 1.00 0.00 C ATOM 0 H THR A 44 -9.839 5.968 -5.762 1.00 0.00 H new ATOM 0 HA THR A 44 -9.248 4.450 -3.438 1.00 0.00 H new ATOM 0 HB THR A 44 -9.103 3.143 -5.243 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.489 4.326 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.386 3.819 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.689 4.850 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.011 5.443 -6.887 1.00 0.00 H new ATOM 663 N TYR A 45 -6.684 4.808 -3.062 1.00 0.00 N ATOM 664 CA TYR A 45 -5.403 5.258 -2.548 1.00 0.00 C ATOM 665 C TYR A 45 -4.288 4.397 -3.118 1.00 0.00 C ATOM 666 O TYR A 45 -4.524 3.271 -3.560 1.00 0.00 O ATOM 667 CB TYR A 45 -5.368 5.192 -1.024 1.00 0.00 C ATOM 668 CG TYR A 45 -6.465 5.976 -0.354 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.789 5.600 -0.506 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.177 7.079 0.434 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.804 6.305 0.106 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.185 7.792 1.055 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.498 7.401 0.887 1.00 0.00 C ATOM 674 OH TYR A 45 -9.507 8.106 1.502 1.00 0.00 O ATOM 0 H TYR A 45 -6.912 3.841 -2.832 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.261 6.295 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.438 4.150 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.404 5.564 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.031 4.741 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.150 7.386 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.832 6.001 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.947 8.649 1.667 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.123 8.847 2.015 1.00 0.00 H new ATOM 684 N THR A 46 -3.075 4.921 -3.099 1.00 0.00 N ATOM 685 CA THR A 46 -1.932 4.185 -3.610 1.00 0.00 C ATOM 686 C THR A 46 -1.199 3.491 -2.465 1.00 0.00 C ATOM 687 O THR A 46 -1.209 3.975 -1.336 1.00 0.00 O ATOM 688 CB THR A 46 -0.985 5.123 -4.353 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.712 6.036 -5.157 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.012 4.394 -5.254 1.00 0.00 C ATOM 0 H THR A 46 -2.856 5.849 -2.737 1.00 0.00 H new ATOM 0 HA THR A 46 -2.288 3.428 -4.308 1.00 0.00 H new ATOM 0 HB THR A 46 -0.422 5.642 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.219 5.543 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.633 5.117 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.597 3.715 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.565 3.824 -6.001 1.00 0.00 H new ATOM 698 N VAL A 47 -0.574 2.354 -2.756 1.00 0.00 N ATOM 699 CA VAL A 47 0.150 1.605 -1.738 1.00 0.00 C ATOM 700 C VAL A 47 1.589 1.358 -2.152 1.00 0.00 C ATOM 701 O VAL A 47 1.855 0.650 -3.115 1.00 0.00 O ATOM 702 CB VAL A 47 -0.511 0.248 -1.452 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.487 -0.694 -0.792 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.751 0.432 -0.591 1.00 0.00 C ATOM 0 H VAL A 47 -0.555 1.934 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 47 0.126 2.216 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.824 -0.199 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.007 -1.652 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.339 -0.845 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.831 -0.260 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.207 -0.539 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.472 0.896 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.464 1.071 -1.112 1.00 0.00 H new ATOM 714 N SER A 48 2.516 1.930 -1.408 1.00 0.00 N ATOM 715 CA SER A 48 3.926 1.751 -1.698 1.00 0.00 C ATOM 716 C SER A 48 4.431 0.467 -1.062 1.00 0.00 C ATOM 717 O SER A 48 4.531 0.365 0.163 1.00 0.00 O ATOM 718 CB SER A 48 4.742 2.944 -1.185 1.00 0.00 C ATOM 719 OG SER A 48 3.897 3.959 -0.671 1.00 0.00 O ATOM 0 H SER A 48 2.319 2.521 -0.600 1.00 0.00 H new ATOM 0 HA SER A 48 4.048 1.687 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.429 2.611 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.349 3.348 -1.995 1.00 0.00 H new ATOM 0 HG SER A 48 4.437 4.737 -0.418 1.00 0.00 H new ATOM 725 N VAL A 49 4.751 -0.511 -1.900 1.00 0.00 N ATOM 726 CA VAL A 49 5.256 -1.787 -1.424 1.00 0.00 C ATOM 727 C VAL A 49 6.717 -1.943 -1.809 1.00 0.00 C ATOM 728 O VAL A 49 7.076 -1.842 -2.988 1.00 0.00 O ATOM 729 CB VAL A 49 4.447 -2.965 -1.988 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.983 -2.842 -1.590 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.603 -3.035 -3.499 1.00 0.00 C ATOM 0 H VAL A 49 4.669 -0.442 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 49 5.156 -1.797 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 49 4.832 -3.893 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.423 -3.684 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.900 -2.843 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.576 -1.911 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.025 -3.874 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.242 -2.109 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.655 -3.173 -3.750 1.00 0.00 H new ATOM 741 N PHE A 50 7.561 -2.159 -0.807 1.00 0.00 N ATOM 742 CA PHE A 50 8.989 -2.294 -1.040 1.00 0.00 C ATOM 743 C PHE A 50 9.528 -3.622 -0.525 1.00 0.00 C ATOM 744 O PHE A 50 9.226 -4.047 0.595 1.00 0.00 O ATOM 745 CB PHE A 50 9.725 -1.132 -0.382 1.00 0.00 C ATOM 746 CG PHE A 50 11.167 -1.406 -0.071 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.531 -2.368 0.861 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.163 -0.686 -0.709 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.861 -2.602 1.144 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.493 -0.918 -0.430 1.00 0.00 C ATOM 751 CZ PHE A 50 13.842 -1.876 0.497 1.00 0.00 C ATOM 0 H PHE A 50 7.280 -2.244 0.170 1.00 0.00 H new ATOM 0 HA PHE A 50 9.158 -2.274 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.666 -0.263 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.211 -0.869 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.767 -2.938 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.894 0.067 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.135 -3.352 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.259 -0.350 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.883 -2.059 0.718 1.00 0.00 H new ATOM 761 N THR A 51 10.334 -4.262 -1.364 1.00 0.00 N ATOM 762 CA THR A 51 10.943 -5.542 -1.040 1.00 0.00 C ATOM 763 C THR A 51 12.420 -5.364 -0.706 1.00 0.00 C ATOM 764 O THR A 51 13.225 -5.074 -1.588 1.00 0.00 O ATOM 765 CB THR A 51 10.799 -6.483 -2.236 1.00 0.00 C ATOM 766 OG1 THR A 51 9.596 -7.227 -2.151 1.00 0.00 O ATOM 767 CG2 THR A 51 11.939 -7.466 -2.376 1.00 0.00 C ATOM 0 H THR A 51 10.582 -3.907 -2.287 1.00 0.00 H new ATOM 0 HA THR A 51 10.439 -5.964 -0.170 1.00 0.00 H new ATOM 0 HB THR A 51 10.800 -5.831 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.523 -7.821 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.768 -8.100 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.875 -6.922 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.997 -8.086 -1.481 1.00 0.00 H new ATOM 899 N CYS A 60 12.403 -5.508 -5.128 1.00 0.00 N ATOM 900 CA CYS A 60 11.721 -4.485 -5.913 1.00 0.00 C ATOM 901 C CYS A 60 10.689 -3.710 -5.097 1.00 0.00 C ATOM 902 O CYS A 60 10.175 -4.202 -4.092 1.00 0.00 O ATOM 903 CB CYS A 60 11.022 -5.143 -7.101 1.00 0.00 C ATOM 904 SG CYS A 60 11.140 -4.206 -8.643 1.00 0.00 S ATOM 0 HA CYS A 60 12.478 -3.775 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.450 -6.133 -7.257 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.970 -5.286 -6.855 1.00 0.00 H new ATOM 0 HG CYS A 60 10.519 -4.847 -9.589 1.00 0.00 H new ATOM 910 N ILE A 61 10.356 -2.513 -5.576 1.00 0.00 N ATOM 911 CA ILE A 61 9.343 -1.680 -4.939 1.00 0.00 C ATOM 912 C ILE A 61 8.255 -1.346 -5.932 1.00 0.00 C ATOM 913 O ILE A 61 8.535 -0.984 -7.074 1.00 0.00 O ATOM 914 CB ILE A 61 9.876 -0.336 -4.415 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.794 -0.534 -3.216 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.698 0.567 -4.045 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.077 -1.258 -3.556 1.00 0.00 C ATOM 0 H ILE A 61 10.777 -2.098 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 61 8.983 -2.267 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 61 10.464 0.137 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.037 0.439 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.261 -1.095 -2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.073 1.520 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.080 0.739 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.100 0.086 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.684 -1.365 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.843 -2.245 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.631 -0.687 -4.301 1.00 0.00 H new ATOM 929 N LYS A 62 7.018 -1.433 -5.493 1.00 0.00 N ATOM 930 CA LYS A 62 5.907 -1.099 -6.353 1.00 0.00 C ATOM 931 C LYS A 62 4.806 -0.463 -5.531 1.00 0.00 C ATOM 932 O LYS A 62 4.615 -0.799 -4.360 1.00 0.00 O ATOM 933 CB LYS A 62 5.383 -2.329 -7.079 1.00 0.00 C ATOM 934 CG LYS A 62 3.913 -2.566 -6.831 1.00 0.00 C ATOM 935 CD LYS A 62 3.050 -1.577 -7.598 1.00 0.00 C ATOM 936 CE LYS A 62 2.370 -2.237 -8.786 1.00 0.00 C ATOM 937 NZ LYS A 62 1.419 -3.302 -8.363 1.00 0.00 N ATOM 0 H LYS A 62 6.759 -1.730 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 62 6.252 -0.392 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.553 -2.215 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.948 -3.204 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.653 -3.582 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.705 -2.481 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.296 -1.158 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.666 -0.747 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.836 -1.482 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.126 -2.666 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.575 -4.155 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.574 -3.527 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.443 -2.969 -8.496 1.00 0.00 H new ATOM 951 N HIS A 63 4.098 0.472 -6.134 1.00 0.00 N ATOM 952 CA HIS A 63 3.037 1.158 -5.435 1.00 0.00 C ATOM 953 C HIS A 63 1.671 0.592 -5.821 1.00 0.00 C ATOM 954 O HIS A 63 1.157 0.867 -6.906 1.00 0.00 O ATOM 955 CB HIS A 63 3.112 2.650 -5.746 1.00 0.00 C ATOM 956 CG HIS A 63 4.517 3.165 -5.757 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.093 3.849 -4.710 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.477 3.059 -6.711 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.359 4.129 -5.051 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.641 3.673 -6.256 1.00 0.00 N ATOM 0 H HIS A 63 4.239 0.770 -7.099 1.00 0.00 H new ATOM 0 HA HIS A 63 3.162 1.007 -4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.652 2.839 -6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.532 3.201 -5.006 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.638 4.098 -3.832 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.357 2.576 -7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.057 4.659 -4.421 1.00 0.00 H new ATOM 968 N TYR A 64 1.087 -0.199 -4.924 1.00 0.00 N ATOM 969 CA TYR A 64 -0.219 -0.804 -5.161 1.00 0.00 C ATOM 970 C TYR A 64 -1.333 0.208 -4.965 1.00 0.00 C ATOM 971 O TYR A 64 -1.471 0.771 -3.884 1.00 0.00 O ATOM 972 CB TYR A 64 -0.470 -1.954 -4.191 1.00 0.00 C ATOM 973 CG TYR A 64 0.642 -2.957 -4.095 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.588 -3.079 -5.093 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.722 -3.800 -3.002 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.592 -4.024 -5.002 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.717 -4.748 -2.902 1.00 0.00 C ATOM 978 CZ TYR A 64 2.649 -4.856 -3.907 1.00 0.00 C ATOM 979 OH TYR A 64 3.643 -5.801 -3.818 1.00 0.00 O ATOM 0 H TYR A 64 1.501 -0.436 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.215 -1.167 -6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.652 -1.540 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.381 -2.471 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.543 -2.429 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.009 -3.714 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.329 -4.109 -5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.764 -5.400 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 64 3.682 -6.314 -4.652 1.00 0.00 H new ATOM 989 N HIS A 65 -2.157 0.417 -5.978 1.00 0.00 N ATOM 990 CA HIS A 65 -3.262 1.343 -5.820 1.00 0.00 C ATOM 991 C HIS A 65 -4.505 0.606 -5.368 1.00 0.00 C ATOM 992 O HIS A 65 -4.975 -0.312 -6.041 1.00 0.00 O ATOM 993 CB HIS A 65 -3.565 2.122 -7.092 1.00 0.00 C ATOM 994 CG HIS A 65 -4.223 3.422 -6.789 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.654 4.397 -6.010 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.451 3.874 -7.122 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.540 5.388 -5.889 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.650 5.124 -6.549 1.00 0.00 N ATOM 0 H HIS A 65 -2.086 -0.028 -6.893 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.959 2.064 -5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.640 2.300 -7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.210 1.528 -7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.166 3.347 -7.737 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.369 6.291 -5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.480 5.713 -6.623 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.033 1.008 -4.224 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.223 0.373 -3.693 1.00 0.00 C ATOM 1008 C ILE A 66 -7.379 0.522 -4.666 1.00 0.00 C ATOM 1009 O ILE A 66 -7.958 1.600 -4.798 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.624 0.969 -2.333 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.396 1.518 -1.615 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.310 -0.080 -1.476 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.140 0.726 -1.894 1.00 0.00 C ATOM 0 H ILE A 66 -4.659 1.764 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.993 -0.683 -3.552 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.324 1.787 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.239 2.554 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.583 1.524 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.587 0.358 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.206 -0.436 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.630 -0.916 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.303 1.169 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.279 -0.304 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.930 0.742 -2.963 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.715 -0.567 -5.341 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.809 -0.555 -6.294 1.00 0.00 C ATOM 1027 C LYS A 67 -10.121 -0.326 -5.558 1.00 0.00 C ATOM 1028 O LYS A 67 -10.281 -0.780 -4.423 1.00 0.00 O ATOM 1029 CB LYS A 67 -8.859 -1.870 -7.073 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.616 -1.770 -8.387 1.00 0.00 C ATOM 1031 CD LYS A 67 -8.719 -1.273 -9.510 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.232 0.142 -9.248 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.472 0.692 -10.404 1.00 0.00 N ATOM 0 H LYS A 67 -7.245 -1.467 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.650 0.255 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.841 -2.202 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.326 -2.634 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.022 -2.747 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.463 -1.094 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.863 -1.940 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.265 -1.302 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.085 0.786 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.599 0.149 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.158 1.659 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.643 0.093 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.084 0.709 -11.245 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.043 0.388 -6.203 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.342 0.702 -5.607 1.00 0.00 C ATOM 1049 C GLU A 68 -13.480 0.043 -6.384 1.00 0.00 C ATOM 1050 O GLU A 68 -13.492 0.058 -7.615 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.551 2.220 -5.598 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.417 2.860 -4.226 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.717 3.475 -3.746 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.779 3.134 -4.307 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -13.673 4.300 -2.809 1.00 0.00 O ATOM 0 H GLU A 68 -10.914 0.762 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.349 0.316 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.828 2.679 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.542 2.441 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.087 2.109 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.645 3.629 -4.261 1.00 0.00 H new ATOM 1062 N THR A 69 -14.440 -0.528 -5.658 1.00 0.00 N ATOM 1063 CA THR A 69 -15.583 -1.180 -6.283 1.00 0.00 C ATOM 1064 C THR A 69 -16.870 -0.833 -5.543 1.00 0.00 C ATOM 1065 O THR A 69 -16.852 -0.547 -4.347 1.00 0.00 O ATOM 1066 CB THR A 69 -15.384 -2.696 -6.309 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.129 -3.322 -5.278 1.00 0.00 O ATOM 1068 CG2 THR A 69 -13.939 -3.110 -6.149 1.00 0.00 C ATOM 0 H THR A 69 -14.447 -0.551 -4.638 1.00 0.00 H new ATOM 0 HA THR A 69 -15.664 -0.819 -7.308 1.00 0.00 H new ATOM 0 HB THR A 69 -15.731 -3.015 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.583 -3.374 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.867 -4.197 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.347 -2.687 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.559 -2.745 -5.195 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.864 -3.799 0.257 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.897 -4.414 -0.646 1.00 0.00 C ATOM 1129 C LYS A 74 -15.621 -3.523 -1.842 1.00 0.00 C ATOM 1130 O LYS A 74 -15.692 -3.963 -2.989 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.398 -5.781 -1.112 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.003 -6.923 -0.189 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.049 -7.155 0.888 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.304 -7.796 0.316 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.224 -8.269 1.388 1.00 0.00 N ATOM 0 HA LYS A 74 -14.964 -4.546 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.484 -5.751 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.008 -5.980 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.871 -7.834 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.043 -6.701 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.635 -7.795 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.306 -6.206 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.823 -7.076 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.025 -8.636 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.067 -8.699 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.737 -8.975 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.511 -7.463 1.980 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.294 -2.270 -1.568 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.000 -1.318 -2.624 1.00 0.00 C ATOM 1151 C ARG A 75 -13.517 -1.306 -2.966 1.00 0.00 C ATOM 1152 O ARG A 75 -13.141 -1.348 -4.137 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.435 0.091 -2.223 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.362 0.359 -0.730 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.186 1.577 -0.343 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.558 1.489 -0.836 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.240 2.528 -1.305 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.679 3.729 -1.344 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.484 2.368 -1.735 1.00 0.00 N ATOM 0 H ARG A 75 -15.226 -1.890 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.560 -1.633 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.808 0.815 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.458 0.254 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.722 -0.513 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.323 0.513 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.197 1.677 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.714 2.475 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.018 0.579 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.722 3.856 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.204 4.526 -1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.919 1.446 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.006 3.167 -2.095 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.671 -1.210 -1.945 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.239 -1.145 -2.165 1.00 0.00 C ATOM 1175 C TYR A 76 -10.583 -2.508 -2.166 1.00 0.00 C ATOM 1176 O TYR A 76 -10.992 -3.418 -1.446 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.589 -0.227 -1.140 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.380 1.031 -0.918 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.573 1.236 -1.590 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.936 2.011 -0.051 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.310 2.378 -1.406 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.666 3.169 0.143 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.856 3.348 -0.536 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.588 4.497 -0.346 1.00 0.00 O ATOM 0 H TYR A 76 -12.954 -1.176 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.086 -0.731 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.484 -0.759 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.584 0.032 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.931 0.480 -2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.007 1.871 0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.239 2.517 -1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.308 3.929 0.821 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.696 4.961 -1.202 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.557 -2.614 -2.999 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.785 -3.846 -3.159 1.00 0.00 C ATOM 1196 C TYR A 77 -7.648 -3.629 -4.154 1.00 0.00 C ATOM 1197 O TYR A 77 -7.700 -2.711 -4.969 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.681 -4.986 -3.648 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.014 -4.885 -5.118 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.842 -3.873 -5.583 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.491 -5.787 -6.043 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.147 -3.759 -6.924 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.792 -5.674 -7.389 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.620 -4.660 -7.823 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.920 -4.547 -9.160 1.00 0.00 O ATOM 0 H TYR A 77 -9.232 -1.846 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.370 -4.116 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.185 -5.938 -3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.606 -4.987 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.255 -3.162 -4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.844 -6.583 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.796 -2.967 -7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.380 -6.378 -8.097 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.468 -5.259 -9.658 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.630 -4.477 -4.092 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.493 -4.363 -5.000 1.00 0.00 C ATOM 1217 C VAL A 78 -5.090 -5.727 -5.533 1.00 0.00 C ATOM 1218 O VAL A 78 -3.923 -6.113 -5.466 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.275 -3.722 -4.313 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.555 -2.265 -3.975 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.895 -4.504 -3.065 1.00 0.00 C ATOM 0 H VAL A 78 -6.567 -5.248 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.812 -3.722 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.433 -3.753 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.681 -1.830 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.774 -1.715 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.411 -2.205 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.032 -4.037 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.733 -4.507 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.647 -5.529 -3.339 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.066 -6.456 -6.052 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.824 -7.785 -6.587 1.00 0.00 C ATOM 1233 C ALA A 79 -7.137 -8.514 -6.816 1.00 0.00 C ATOM 1234 O ALA A 79 -7.271 -9.682 -6.449 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.961 -8.583 -5.619 1.00 0.00 C ATOM 0 H ALA A 79 -7.036 -6.147 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.305 -7.685 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.783 -9.578 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.008 -8.074 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.473 -8.669 -4.661 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.125 -7.826 -7.386 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.421 -8.454 -7.594 1.00 0.00 C ATOM 1243 C GLU A 80 -9.678 -9.353 -6.403 1.00 0.00 C ATOM 1244 O GLU A 80 -10.367 -10.369 -6.488 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.431 -9.260 -8.894 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.642 -8.604 -10.013 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.457 -8.436 -11.281 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.926 -9.457 -11.824 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.626 -7.282 -11.729 1.00 0.00 O ATOM 0 H GLU A 80 -8.054 -6.859 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.203 -7.700 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.020 -10.251 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.462 -9.399 -9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.290 -7.628 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.759 -9.205 -10.230 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.056 -8.963 -5.298 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.119 -9.697 -4.057 1.00 0.00 C ATOM 1258 C LYS A 81 -9.761 -8.876 -2.948 1.00 0.00 C ATOM 1259 O LYS A 81 -10.079 -7.700 -3.128 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.699 -10.070 -3.666 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.909 -8.932 -3.059 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.698 -9.465 -2.326 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.942 -10.482 -3.165 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.908 -11.821 -2.515 1.00 0.00 N ATOM 0 H LYS A 81 -8.489 -8.117 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.735 -10.585 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.734 -10.895 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.173 -10.433 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.594 -8.241 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.540 -8.369 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.035 -8.639 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.012 -9.926 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.412 -10.566 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.923 -10.132 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.986 -12.269 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.050 -11.713 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.664 -12.417 -2.908 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.942 -9.513 -1.798 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.538 -8.865 -0.641 1.00 0.00 C ATOM 1280 C TYR A 82 -10.748 -7.387 -0.898 1.00 0.00 C ATOM 1281 O TYR A 82 -9.792 -6.616 -0.977 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.662 -9.022 0.602 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.686 -10.172 0.553 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.946 -10.445 -0.586 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.505 -10.980 1.665 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.054 -11.495 -0.616 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.615 -12.029 1.645 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.890 -12.286 0.502 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.998 -13.334 0.475 1.00 0.00 O ATOM 0 H TYR A 82 -9.681 -10.487 -1.643 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.498 -9.351 -0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.104 -8.098 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.309 -9.151 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.070 -9.826 -1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.072 -10.783 2.562 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.485 -11.698 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.485 -12.648 2.521 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.002 -13.789 1.343 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.001 -6.992 -1.006 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.330 -5.601 -1.228 1.00 0.00 C ATOM 1301 C VAL A 83 -12.884 -4.995 0.050 1.00 0.00 C ATOM 1302 O VAL A 83 -13.496 -5.694 0.856 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.343 -5.442 -2.368 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.273 -4.035 -2.936 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.085 -6.488 -3.444 1.00 0.00 C ATOM 0 H VAL A 83 -12.806 -7.615 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.419 -5.077 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.350 -5.598 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.996 -3.933 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.502 -3.314 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.270 -3.847 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.809 -6.367 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.077 -6.362 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.184 -7.485 -3.014 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.654 -3.705 0.255 1.00 0.00 N ATOM 1316 CA PHE A 84 -13.133 -3.062 1.470 1.00 0.00 C ATOM 1317 C PHE A 84 -13.580 -1.626 1.219 1.00 0.00 C ATOM 1318 O PHE A 84 -13.721 -1.199 0.074 1.00 0.00 O ATOM 1319 CB PHE A 84 -12.044 -3.099 2.545 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.287 -4.400 2.581 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.353 -4.695 1.601 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.511 -5.324 3.588 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.654 -5.895 1.626 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.816 -6.522 3.620 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.887 -6.809 2.636 1.00 0.00 C ATOM 0 H PHE A 84 -12.150 -3.095 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.005 -3.617 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.343 -2.283 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.499 -2.924 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.167 -3.984 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.237 -5.108 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.929 -6.114 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.999 -7.232 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.346 -7.744 2.657 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.816 -0.891 2.304 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.263 0.493 2.212 1.00 0.00 C ATOM 1337 C ASP A 85 -13.219 1.454 2.767 1.00 0.00 C ATOM 1338 O ASP A 85 -13.545 2.572 3.164 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.580 0.673 2.968 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.116 2.088 2.867 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.469 2.921 2.197 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.181 2.363 3.456 1.00 0.00 O ATOM 0 H ASP A 85 -13.704 -1.234 3.258 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.413 0.723 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.321 -0.022 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.431 0.418 4.017 1.00 0.00 H new ATOM 1347 N SER A 86 -11.963 1.021 2.795 1.00 0.00 N ATOM 1348 CA SER A 86 -10.890 1.865 3.305 1.00 0.00 C ATOM 1349 C SER A 86 -9.524 1.209 3.130 1.00 0.00 C ATOM 1350 O SER A 86 -9.357 0.001 3.343 1.00 0.00 O ATOM 1351 CB SER A 86 -11.125 2.189 4.782 1.00 0.00 C ATOM 1352 OG SER A 86 -10.606 3.465 5.114 1.00 0.00 O ATOM 0 H SER A 86 -11.665 0.100 2.474 1.00 0.00 H new ATOM 0 HA SER A 86 -10.897 2.788 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.193 2.160 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.653 1.428 5.404 1.00 0.00 H new ATOM 0 HG SER A 86 -10.771 3.648 6.063 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.544 2.022 2.754 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.192 1.533 2.566 1.00 0.00 C ATOM 1360 C ILE A 87 -6.716 0.808 3.812 1.00 0.00 C ATOM 1361 O ILE A 87 -6.068 -0.227 3.725 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.201 2.671 2.266 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.289 3.108 0.807 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.785 2.225 2.596 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.415 2.459 0.041 1.00 0.00 C ATOM 0 H ILE A 87 -8.664 3.019 2.575 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.220 0.856 1.712 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.464 3.526 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.413 4.190 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.346 2.878 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.089 3.036 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.723 1.964 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.527 1.356 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.411 2.821 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.282 1.377 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.366 2.710 0.510 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.037 1.343 4.998 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.632 0.728 6.258 1.00 0.00 C ATOM 1379 C PRO A 88 -7.160 -0.692 6.375 1.00 0.00 C ATOM 1380 O PRO A 88 -6.403 -1.613 6.662 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.227 1.637 7.334 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.537 2.922 6.636 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.817 2.571 5.202 1.00 0.00 C ATOM 0 HA PRO A 88 -5.549 0.641 6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.126 1.198 7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.523 1.793 8.151 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.398 3.413 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.699 3.615 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.880 2.406 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.503 3.365 4.524 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.448 -0.887 6.100 1.00 0.00 N ATOM 1392 CA LEU A 89 -9.000 -2.233 6.131 1.00 0.00 C ATOM 1393 C LEU A 89 -8.374 -2.989 4.977 1.00 0.00 C ATOM 1394 O LEU A 89 -7.832 -4.090 5.141 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.529 -2.247 5.999 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.237 -0.911 6.222 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.742 -0.361 4.899 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.387 -1.081 7.201 1.00 0.00 C ATOM 0 H LEU A 89 -9.111 -0.150 5.860 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.775 -2.694 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.784 -2.608 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.928 -2.969 6.711 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.526 -0.202 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.245 0.591 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.901 -0.211 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.443 -1.068 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.882 -0.122 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.102 -1.800 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.003 -1.443 8.154 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.410 -2.344 3.812 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.809 -2.895 2.613 1.00 0.00 C ATOM 1412 C LEU A 90 -6.345 -3.209 2.900 1.00 0.00 C ATOM 1413 O LEU A 90 -5.803 -4.217 2.454 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.941 -1.884 1.472 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.741 -2.433 0.059 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -6.264 -2.559 -0.265 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -8.453 -3.755 -0.128 1.00 0.00 C ATOM 0 H LEU A 90 -8.853 -1.435 3.680 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.315 -3.814 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.931 -1.432 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.217 -1.086 1.635 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.183 -1.722 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.145 -2.951 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.792 -1.579 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.792 -3.238 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.289 -4.116 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.062 -4.483 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.521 -3.620 0.041 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.718 -2.344 3.684 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.335 -2.542 4.077 1.00 0.00 C ATOM 1431 C ILE A 91 -4.260 -3.531 5.227 1.00 0.00 C ATOM 1432 O ILE A 91 -3.480 -4.482 5.201 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.652 -1.235 4.506 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.663 -0.229 3.358 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.227 -1.526 4.938 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.000 -0.755 2.113 1.00 0.00 C ATOM 0 H ILE A 91 -6.147 -1.498 4.060 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.811 -2.926 3.202 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.199 -0.804 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.694 0.042 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.157 0.683 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.742 -0.598 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.236 -2.223 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.677 -1.966 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.039 0.004 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.960 -1.000 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.520 -1.651 1.774 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.089 -3.296 6.238 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.134 -4.158 7.403 1.00 0.00 C ATOM 1450 C GLN A 92 -5.294 -5.602 6.967 1.00 0.00 C ATOM 1451 O GLN A 92 -4.619 -6.493 7.484 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.283 -3.751 8.326 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.974 -2.541 9.193 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.983 -1.589 8.549 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -5.348 -0.496 8.116 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.721 -1.997 8.486 1.00 0.00 N ATOM 0 H GLN A 92 -5.740 -2.511 6.270 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.199 -4.055 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.164 -3.537 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.535 -4.593 8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.900 -2.006 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.576 -2.878 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.461 -2.911 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.011 -1.396 8.066 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.173 -5.835 5.996 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.374 -7.184 5.497 1.00 0.00 C ATOM 1467 C TYR A 93 -5.121 -7.645 4.757 1.00 0.00 C ATOM 1468 O TYR A 93 -4.762 -8.821 4.807 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.616 -7.266 4.607 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.359 -7.049 3.135 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.311 -5.771 2.604 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.194 -8.125 2.275 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -7.102 -5.563 1.252 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.992 -7.931 0.922 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.945 -6.647 0.416 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.760 -6.450 -0.934 1.00 0.00 O ATOM 0 H TYR A 93 -6.746 -5.119 5.549 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.546 -7.853 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.076 -8.245 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.339 -6.525 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.439 -4.921 3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.224 -9.130 2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.062 -4.559 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.872 -8.779 0.264 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.340 -5.577 -1.083 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.433 -6.706 4.106 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.204 -7.015 3.404 1.00 0.00 C ATOM 1488 C HIS A 94 -2.071 -7.195 4.406 1.00 0.00 C ATOM 1489 O HIS A 94 -1.267 -8.121 4.298 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.872 -5.883 2.455 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.651 -5.879 1.198 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.962 -7.016 0.498 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.190 -4.849 0.516 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.662 -6.689 -0.566 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.816 -5.377 -0.582 1.00 0.00 N ATOM 0 H HIS A 94 -4.713 -5.727 4.055 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.330 -7.939 2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.035 -4.936 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.811 -5.933 2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.693 -7.964 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.138 -3.804 0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.047 -7.378 -1.304 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.027 -6.298 5.390 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.006 -6.340 6.429 1.00 0.00 C ATOM 1506 C GLN A 95 -1.061 -7.669 7.176 1.00 0.00 C ATOM 1507 O GLN A 95 -0.128 -8.029 7.895 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.204 -5.179 7.411 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.037 -4.203 7.455 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.471 -2.779 7.749 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.006 -1.834 7.112 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.365 -2.619 8.715 1.00 0.00 N ATOM 0 H GLN A 95 -2.692 -5.530 5.487 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.028 -6.244 5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.109 -4.636 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.364 -5.584 8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.672 -4.526 8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.488 -4.228 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.724 -3.431 9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.694 -1.684 8.956 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.163 -8.393 6.998 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.348 -9.682 7.651 1.00 0.00 C ATOM 1523 C TYR A 96 -2.745 -10.754 6.640 1.00 0.00 C ATOM 1524 O TYR A 96 -2.000 -11.707 6.408 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.415 -9.575 8.742 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.987 -8.744 9.929 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.542 -7.439 9.761 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.029 -9.263 11.216 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.151 -6.675 10.841 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.640 -8.504 12.303 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.202 -7.211 12.110 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.814 -6.451 13.191 1.00 0.00 O ATOM 0 H TYR A 96 -2.942 -8.106 6.405 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.400 -9.970 8.105 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.319 -9.142 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.673 -10.577 9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.501 -7.015 8.768 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.371 -10.276 11.370 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.807 -5.662 10.693 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.679 -8.921 13.298 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.912 -6.977 14.012 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.920 -10.594 6.038 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.410 -11.550 5.051 1.00 0.00 C ATOM 1544 C ASN A 97 -3.519 -11.555 3.815 1.00 0.00 C ATOM 1545 O ASN A 97 -3.226 -10.503 3.247 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.851 -11.222 4.651 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.804 -11.265 5.829 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.559 -12.223 5.996 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.775 -10.224 6.654 1.00 0.00 N ATOM 0 H ASN A 97 -4.550 -9.812 6.216 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.386 -12.541 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.882 -10.231 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.184 -11.930 3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.395 -10.198 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.133 -9.451 6.478 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.096 -12.743 3.399 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.247 -12.854 2.229 1.00 0.00 C ATOM 1558 C GLY A 98 -2.555 -11.786 1.198 1.00 0.00 C ATOM 1559 O GLY A 98 -1.688 -11.404 0.411 1.00 0.00 O ATOM 0 H GLY A 98 -3.325 -13.629 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.203 -12.776 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.376 -13.839 1.780 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.795 -11.305 1.207 1.00 0.00 N ATOM 1564 CA GLY A 99 -4.204 -10.278 0.267 1.00 0.00 C ATOM 1565 C GLY A 99 -3.123 -9.942 -0.740 1.00 0.00 C ATOM 1566 O GLY A 99 -2.642 -8.811 -0.787 1.00 0.00 O ATOM 0 H GLY A 99 -4.525 -11.610 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.097 -10.611 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.476 -9.377 0.816 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.735 -10.925 -1.545 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.704 -10.700 -2.540 1.00 0.00 C ATOM 1572 C GLY A 100 -0.649 -9.725 -2.059 1.00 0.00 C ATOM 1573 O GLY A 100 -0.014 -9.949 -1.028 1.00 0.00 O ATOM 0 H GLY A 100 -3.115 -11.871 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.231 -11.649 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.160 -10.318 -3.454 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.463 -8.638 -2.801 1.00 0.00 N ATOM 1578 CA LEU A 101 0.521 -7.626 -2.432 1.00 0.00 C ATOM 1579 C LEU A 101 1.887 -8.269 -2.190 1.00 0.00 C ATOM 1580 O LEU A 101 1.986 -9.286 -1.505 1.00 0.00 O ATOM 1581 CB LEU A 101 0.046 -6.873 -1.184 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.874 -5.688 -1.462 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.323 -6.139 -1.514 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.678 -4.614 -0.404 1.00 0.00 C ATOM 0 H LEU A 101 -0.978 -8.436 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 101 0.625 -6.916 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.474 -7.573 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.919 -6.516 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.618 -5.265 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.964 -5.280 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.446 -6.876 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.600 -6.585 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.339 -3.773 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.911 -5.024 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.357 -4.273 -0.419 1.00 0.00 H new ATOM 1596 N VAL A 102 2.938 -7.680 -2.769 1.00 0.00 N ATOM 1597 CA VAL A 102 4.293 -8.211 -2.620 1.00 0.00 C ATOM 1598 C VAL A 102 4.348 -9.239 -1.502 1.00 0.00 C ATOM 1599 O VAL A 102 4.897 -10.329 -1.666 1.00 0.00 O ATOM 1600 CB VAL A 102 5.325 -7.105 -2.315 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.845 -6.476 -3.600 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.729 -6.054 -1.390 1.00 0.00 C ATOM 0 H VAL A 102 2.875 -6.839 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 102 4.547 -8.674 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 102 6.172 -7.561 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.571 -5.700 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.323 -7.241 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.014 -6.036 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.473 -5.284 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.859 -5.602 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.428 -6.523 -0.453 1.00 0.00 H new ATOM 1612 N THR A 103 3.769 -8.880 -0.365 1.00 0.00 N ATOM 1613 CA THR A 103 3.741 -9.761 0.790 1.00 0.00 C ATOM 1614 C THR A 103 2.631 -9.337 1.742 1.00 0.00 C ATOM 1615 O THR A 103 2.846 -9.208 2.947 1.00 0.00 O ATOM 1616 CB THR A 103 5.093 -9.741 1.506 1.00 0.00 C ATOM 1617 OG1 THR A 103 4.920 -9.822 2.908 1.00 0.00 O ATOM 1618 CG2 THR A 103 5.909 -8.497 1.213 1.00 0.00 C ATOM 0 H THR A 103 3.311 -7.980 -0.219 1.00 0.00 H new ATOM 0 HA THR A 103 3.544 -10.778 0.452 1.00 0.00 H new ATOM 0 HB THR A 103 5.633 -10.608 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.185 -9.234 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.855 -8.547 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.104 -8.434 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.355 -7.615 1.534 1.00 0.00 H new ATOM 1626 N ARG A 104 1.444 -9.109 1.186 1.00 0.00 N ATOM 1627 CA ARG A 104 0.299 -8.687 1.981 1.00 0.00 C ATOM 1628 C ARG A 104 0.746 -7.727 3.074 1.00 0.00 C ATOM 1629 O ARG A 104 0.877 -8.112 4.236 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.400 -9.899 2.599 1.00 0.00 C ATOM 1631 CG ARG A 104 0.380 -10.541 3.735 1.00 0.00 C ATOM 1632 CD ARG A 104 -0.334 -10.374 5.066 1.00 0.00 C ATOM 1633 NE ARG A 104 0.199 -11.269 6.088 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.108 -10.904 6.986 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.584 -9.666 6.986 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.544 -11.775 7.885 1.00 0.00 N ATOM 0 H ARG A 104 1.252 -9.210 0.189 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.407 -8.175 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.378 -9.593 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.572 -10.644 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.521 -11.602 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.372 -10.094 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.238 -9.342 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.398 -10.568 4.933 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.146 -12.229 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.252 -8.992 6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.282 -9.388 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.182 -12.728 7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.242 -11.492 8.573 1.00 0.00 H new ATOM 1650 N LEU A 105 0.992 -6.476 2.696 1.00 0.00 N ATOM 1651 CA LEU A 105 1.436 -5.476 3.655 1.00 0.00 C ATOM 1652 C LEU A 105 2.276 -6.107 4.754 1.00 0.00 C ATOM 1653 O LEU A 105 1.911 -6.068 5.929 1.00 0.00 O ATOM 1654 CB LEU A 105 0.244 -4.731 4.256 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.298 -3.598 3.394 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.459 -3.514 2.097 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.758 -3.772 3.113 1.00 0.00 C ATOM 0 H LEU A 105 0.892 -6.135 1.740 1.00 0.00 H new ATOM 0 HA LEU A 105 2.058 -4.757 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.558 -5.445 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.537 -4.325 5.224 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.164 -2.671 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.058 -2.699 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.513 -3.329 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.355 -4.453 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.111 -2.946 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.917 -4.713 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.310 -3.785 4.053 1.00 0.00 H new ATOM 1669 N ARG A 106 3.409 -6.680 4.365 1.00 0.00 N ATOM 1670 CA ARG A 106 4.303 -7.310 5.324 1.00 0.00 C ATOM 1671 C ARG A 106 4.665 -6.327 6.429 1.00 0.00 C ATOM 1672 O ARG A 106 4.742 -6.695 7.601 1.00 0.00 O ATOM 1673 CB ARG A 106 5.572 -7.808 4.629 1.00 0.00 C ATOM 1674 CG ARG A 106 6.839 -7.585 5.438 1.00 0.00 C ATOM 1675 CD ARG A 106 7.694 -8.840 5.490 1.00 0.00 C ATOM 1676 NE ARG A 106 8.853 -8.678 6.364 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.788 -8.730 7.690 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.624 -8.939 8.291 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.886 -8.574 8.417 1.00 0.00 N ATOM 0 H ARG A 106 3.728 -6.720 3.397 1.00 0.00 H new ATOM 0 HA ARG A 106 3.790 -8.165 5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.467 -8.873 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.671 -7.303 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.414 -6.770 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.576 -7.280 6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.089 -9.676 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.031 -9.091 4.484 1.00 0.00 H new ATOM 0 HE ARG A 106 9.763 -8.516 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.777 -9.060 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.576 -8.979 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.783 -8.414 7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.834 -8.614 9.435 1.00 0.00 H new ATOM 1693 N TYR A 107 4.879 -5.070 6.049 1.00 0.00 N ATOM 1694 CA TYR A 107 5.225 -4.036 7.014 1.00 0.00 C ATOM 1695 C TYR A 107 5.126 -2.649 6.404 1.00 0.00 C ATOM 1696 O TYR A 107 6.013 -2.222 5.664 1.00 0.00 O ATOM 1697 CB TYR A 107 6.636 -4.239 7.549 1.00 0.00 C ATOM 1698 CG TYR A 107 6.986 -3.244 8.626 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.632 -3.480 9.945 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.652 -2.062 8.324 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.930 -2.569 10.936 1.00 0.00 C ATOM 1702 CE2 TYR A 107 7.957 -1.146 9.311 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.594 -1.404 10.617 1.00 0.00 C ATOM 1704 OH TYR A 107 7.894 -0.494 11.604 1.00 0.00 O ATOM 0 H TYR A 107 4.819 -4.746 5.084 1.00 0.00 H new ATOM 0 HA TYR A 107 4.509 -4.116 7.832 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.730 -5.250 7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.349 -4.151 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.114 -4.393 10.201 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.935 -1.857 7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.644 -2.767 11.958 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.477 -0.233 9.062 1.00 0.00 H new ATOM 0 HH TYR A 107 7.608 0.400 11.322 1.00 0.00 H new ATOM 1714 N PRO A 108 4.055 -1.913 6.714 1.00 0.00 N ATOM 1715 CA PRO A 108 3.869 -0.563 6.200 1.00 0.00 C ATOM 1716 C PRO A 108 5.097 0.312 6.471 1.00 0.00 C ATOM 1717 O PRO A 108 5.616 0.337 7.585 1.00 0.00 O ATOM 1718 CB PRO A 108 2.642 -0.044 6.965 1.00 0.00 C ATOM 1719 CG PRO A 108 2.421 -1.009 8.079 1.00 0.00 C ATOM 1720 CD PRO A 108 2.951 -2.323 7.590 1.00 0.00 C ATOM 0 HA PRO A 108 3.732 -0.544 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.816 0.962 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.769 0.009 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.940 -0.689 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.363 -1.083 8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.296 -2.952 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.193 -2.891 7.050 1.00 0.00 H new ATOM 1728 N VAL A 109 5.560 1.019 5.443 1.00 0.00 N ATOM 1729 CA VAL A 109 6.720 1.884 5.563 1.00 0.00 C ATOM 1730 C VAL A 109 6.303 3.345 5.496 1.00 0.00 C ATOM 1731 O VAL A 109 5.340 3.693 4.811 1.00 0.00 O ATOM 1732 CB VAL A 109 7.733 1.606 4.437 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.588 2.641 3.328 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.157 1.583 4.982 1.00 0.00 C ATOM 0 H VAL A 109 5.142 1.006 4.513 1.00 0.00 H new ATOM 0 HA VAL A 109 7.186 1.677 6.526 1.00 0.00 H new ATOM 0 HB VAL A 109 7.522 0.623 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.310 2.432 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.579 2.596 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.771 3.636 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.855 1.385 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.390 2.548 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.246 0.800 5.735 1.00 0.00 H new ATOM 1744 N CYS A 110 7.031 4.202 6.196 1.00 0.00 N ATOM 1745 CA CYS A 110 6.727 5.623 6.192 1.00 0.00 C ATOM 1746 C CYS A 110 8.004 6.445 6.092 1.00 0.00 C ATOM 1747 O CYS A 110 8.585 6.845 7.101 1.00 0.00 O ATOM 1748 CB CYS A 110 5.943 6.006 7.447 1.00 0.00 C ATOM 1749 SG CYS A 110 6.408 7.604 8.154 1.00 0.00 S ATOM 0 H CYS A 110 7.832 3.939 6.771 1.00 0.00 H new ATOM 0 HA CYS A 110 6.111 5.839 5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.880 6.024 7.206 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.086 5.232 8.201 1.00 0.00 H new ATOM 0 HG CYS A 110 7.703 7.719 8.152 1.00 0.00 H new ATOM 1755 N GLY A 111 8.433 6.691 4.861 1.00 0.00 N ATOM 1756 CA GLY A 111 9.640 7.464 4.636 1.00 0.00 C ATOM 1757 C GLY A 111 9.951 8.403 5.786 1.00 0.00 C ATOM 1758 O GLY A 111 10.834 8.127 6.598 1.00 0.00 O ATOM 0 H GLY A 111 7.966 6.369 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.480 6.785 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.532 8.042 3.718 1.00 0.00 H new