USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot 84:sc= -5.28! USER MOD Set 1.2: A 63 ASN : amide:sc= -5.17! C(o=-10!,f=-19!) USER MOD Set 2.1: A 20 TYR OH : rot -13:sc= -0.592! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -2.11! C(o=-2.7!,f=-19!) USER MOD Set 3.1: A 27 ASN : amide:sc= -1.34! C(o=-0.92!,f=-1!) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0.419! USER MOD Set 4.1: A 22 HIS : no HE2:sc= -4.62 K(o=-7.8,f=-16!) USER MOD Set 4.2: A 36 MET CE :methyl 180:sc= -2.77 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot 165:sc= -0.444 USER MOD Set 5.1: A 8 MET CE :methyl 168:sc= -0.217 (180deg=-0.489) USER MOD Set 5.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 5 SER OG : rot 180:sc= -0.575! USER MOD Set 6.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= -0.69 (180deg=-2.4!) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 0.0257 (180deg=-0.182) USER MOD Single : A 7 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.5!) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 16 MET CE :methyl -117:sc= -1.03 (180deg=-2.52!) USER MOD Single : A 17 THR OG1 : rot 54:sc= -1.66! USER MOD Single : A 19 ASN :FLIP amide:sc= 0.192! F(o=-0.92,f=0.19!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.097 USER MOD Single : A 31 SER OG : rot -104:sc= 1.4 USER MOD Single : A 33 SER OG : rot -96:sc= 0.472 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= 0.51 USER MOD Single : A 69 SER OG : rot -63:sc= -0.67 USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.805 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 69:sc= -6.24! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.119 (180deg=-1.23) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -154:sc= -0.213 (180deg=-1.04) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.336 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0694 F(o=-2,f=-0.069) USER MOD Single : A 107 SER OG : rot -160:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.968 X(o=-0.97,f=-0.51) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -95:sc= 0.287 USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.133) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.512 18.015 6.390 1.00 0.00 N ATOM 2 CA GLY A 1 11.315 16.651 5.822 1.00 0.00 C ATOM 3 C GLY A 1 10.720 15.735 6.889 1.00 0.00 C ATOM 4 O GLY A 1 9.546 15.375 6.823 1.00 0.00 O ATOM 0 H1 GLY A 1 10.983 18.707 5.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.167 18.036 7.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.524 18.255 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.653 16.698 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.267 16.250 5.473 1.00 0.00 H new ATOM 10 N PRO A 2 11.504 15.366 7.869 1.00 0.00 N ATOM 11 CA PRO A 2 11.033 14.484 8.967 1.00 0.00 C ATOM 12 C PRO A 2 9.786 15.085 9.613 1.00 0.00 C ATOM 13 O PRO A 2 8.954 14.377 10.179 1.00 0.00 O ATOM 14 CB PRO A 2 12.211 14.432 9.974 1.00 0.00 C ATOM 15 CG PRO A 2 13.302 15.326 9.428 1.00 0.00 C ATOM 16 CD PRO A 2 12.912 15.744 8.006 1.00 0.00 C ATOM 0 HA PRO A 2 10.761 13.487 8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.891 14.772 10.959 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.573 13.410 10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.426 16.204 10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.257 14.800 9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.049 16.815 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.530 15.239 7.263 1.00 0.00 H new ATOM 24 N LEU A 3 9.680 16.402 9.510 1.00 0.00 N ATOM 25 CA LEU A 3 8.552 17.124 10.072 1.00 0.00 C ATOM 26 C LEU A 3 7.260 16.761 9.347 1.00 0.00 C ATOM 27 O LEU A 3 6.163 16.997 9.855 1.00 0.00 O ATOM 28 CB LEU A 3 8.814 18.633 9.967 1.00 0.00 C ATOM 29 CG LEU A 3 10.007 19.013 10.862 1.00 0.00 C ATOM 30 CD1 LEU A 3 10.466 20.452 10.561 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.600 18.895 12.347 1.00 0.00 C ATOM 0 H LEU A 3 10.366 16.993 9.040 1.00 0.00 H new ATOM 0 HA LEU A 3 8.439 16.845 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.021 18.905 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.927 19.188 10.271 1.00 0.00 H new ATOM 0 HG LEU A 3 10.833 18.332 10.656 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.310 20.706 11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.768 20.527 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.645 21.143 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.446 19.165 12.979 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.767 19.568 12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.299 17.869 12.561 1.00 0.00 H new ATOM 43 N GLY A 4 7.397 16.184 8.156 1.00 0.00 N ATOM 44 CA GLY A 4 6.237 15.785 7.355 1.00 0.00 C ATOM 45 C GLY A 4 6.481 14.435 6.694 1.00 0.00 C ATOM 46 O GLY A 4 6.452 14.315 5.470 1.00 0.00 O ATOM 0 H GLY A 4 8.298 15.981 7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.352 15.731 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.038 16.538 6.593 1.00 0.00 H new ATOM 50 N SER A 5 6.726 13.420 7.517 1.00 0.00 N ATOM 51 CA SER A 5 6.980 12.078 7.010 1.00 0.00 C ATOM 52 C SER A 5 5.726 11.506 6.357 1.00 0.00 C ATOM 53 O SER A 5 5.717 11.203 5.166 1.00 0.00 O ATOM 54 CB SER A 5 7.413 11.166 8.157 1.00 0.00 C ATOM 55 OG SER A 5 6.270 10.797 8.919 1.00 0.00 O ATOM 0 H SER A 5 6.754 13.502 8.533 1.00 0.00 H new ATOM 0 HA SER A 5 7.773 12.134 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.905 10.276 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.137 11.678 8.791 1.00 0.00 H new ATOM 0 HG SER A 5 6.543 10.210 9.655 1.00 0.00 H new ATOM 61 N LYS A 6 4.672 11.365 7.148 1.00 0.00 N ATOM 62 CA LYS A 6 3.414 10.825 6.645 1.00 0.00 C ATOM 63 C LYS A 6 3.047 11.467 5.313 1.00 0.00 C ATOM 64 O LYS A 6 2.503 10.809 4.426 1.00 0.00 O ATOM 65 CB LYS A 6 2.302 11.076 7.665 1.00 0.00 C ATOM 66 CG LYS A 6 2.520 10.177 8.885 1.00 0.00 C ATOM 67 CD LYS A 6 1.436 10.451 9.933 1.00 0.00 C ATOM 68 CE LYS A 6 1.667 9.571 11.169 1.00 0.00 C ATOM 69 NZ LYS A 6 1.413 8.147 10.818 1.00 0.00 N ATOM 0 H LYS A 6 4.661 11.615 8.137 1.00 0.00 H new ATOM 0 HA LYS A 6 3.532 9.752 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.300 12.123 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.330 10.871 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.492 9.129 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.506 10.361 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.451 11.503 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.451 10.249 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.689 9.691 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.006 9.881 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.352 7.581 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.518 8.073 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.191 7.791 10.227 1.00 0.00 H new ATOM 83 N ASN A 7 3.358 12.747 5.177 1.00 0.00 N ATOM 84 CA ASN A 7 3.068 13.462 3.943 1.00 0.00 C ATOM 85 C ASN A 7 3.883 12.872 2.799 1.00 0.00 C ATOM 86 O ASN A 7 3.404 12.755 1.671 1.00 0.00 O ATOM 87 CB ASN A 7 3.406 14.945 4.109 1.00 0.00 C ATOM 88 CG ASN A 7 2.425 15.593 5.081 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.279 15.160 5.191 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.812 16.611 5.801 1.00 0.00 N ATOM 0 H ASN A 7 3.808 13.309 5.900 1.00 0.00 H new ATOM 0 HA ASN A 7 2.007 13.361 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.425 15.056 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.361 15.448 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.164 17.048 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.763 16.969 5.709 1.00 0.00 H new ATOM 97 N MET A 8 5.125 12.510 3.103 1.00 0.00 N ATOM 98 CA MET A 8 6.015 11.938 2.102 1.00 0.00 C ATOM 99 C MET A 8 5.423 10.647 1.541 1.00 0.00 C ATOM 100 O MET A 8 5.355 10.457 0.327 1.00 0.00 O ATOM 101 CB MET A 8 7.374 11.640 2.750 1.00 0.00 C ATOM 102 CG MET A 8 8.404 11.257 1.683 1.00 0.00 C ATOM 103 SD MET A 8 8.129 9.550 1.151 1.00 0.00 S ATOM 104 CE MET A 8 8.885 9.706 -0.486 1.00 0.00 C ATOM 0 H MET A 8 5.536 12.603 4.032 1.00 0.00 H new ATOM 0 HA MET A 8 6.140 12.650 1.286 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.720 12.514 3.301 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.270 10.829 3.471 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.325 11.931 0.830 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.412 11.365 2.082 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.021 8.715 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.237 10.299 -1.131 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.853 10.198 -0.394 1.00 0.00 H new ATOM 114 N LEU A 9 4.986 9.772 2.441 1.00 0.00 N ATOM 115 CA LEU A 9 4.394 8.507 2.050 1.00 0.00 C ATOM 116 C LEU A 9 3.105 8.740 1.287 1.00 0.00 C ATOM 117 O LEU A 9 2.837 8.088 0.278 1.00 0.00 O ATOM 118 CB LEU A 9 4.089 7.696 3.301 1.00 0.00 C ATOM 119 CG LEU A 9 5.386 7.257 3.967 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.070 6.688 5.352 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.104 6.185 3.118 1.00 0.00 C ATOM 0 H LEU A 9 5.033 9.921 3.449 1.00 0.00 H new ATOM 0 HA LEU A 9 5.094 7.970 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.498 8.293 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.490 6.823 3.041 1.00 0.00 H new ATOM 0 HG LEU A 9 6.045 8.120 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.995 6.371 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.588 7.454 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.402 5.832 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.028 5.887 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.456 5.316 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.336 6.595 2.135 1.00 0.00 H new ATOM 133 N LEU A 10 2.303 9.671 1.788 1.00 0.00 N ATOM 134 CA LEU A 10 1.025 9.977 1.156 1.00 0.00 C ATOM 135 C LEU A 10 1.265 10.457 -0.270 1.00 0.00 C ATOM 136 O LEU A 10 0.636 9.982 -1.217 1.00 0.00 O ATOM 137 CB LEU A 10 0.279 11.051 1.975 1.00 0.00 C ATOM 138 CG LEU A 10 -1.071 11.398 1.322 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.932 10.133 1.186 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.815 12.442 2.180 1.00 0.00 C ATOM 0 H LEU A 10 2.511 10.222 2.621 1.00 0.00 H new ATOM 0 HA LEU A 10 0.408 9.079 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.115 10.691 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.893 11.949 2.050 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.887 11.812 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.885 10.389 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.412 9.404 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.111 9.707 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.770 12.683 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.991 12.036 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.211 13.346 2.259 1.00 0.00 H new ATOM 152 N GLU A 11 2.193 11.387 -0.409 1.00 0.00 N ATOM 153 CA GLU A 11 2.538 11.940 -1.715 1.00 0.00 C ATOM 154 C GLU A 11 3.003 10.833 -2.644 1.00 0.00 C ATOM 155 O GLU A 11 2.487 10.630 -3.744 1.00 0.00 O ATOM 156 CB GLU A 11 3.687 12.917 -1.518 1.00 0.00 C ATOM 157 CG GLU A 11 3.921 13.709 -2.798 1.00 0.00 C ATOM 158 CD GLU A 11 5.034 14.728 -2.581 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.062 14.346 -2.046 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.844 15.871 -2.955 1.00 0.00 O ATOM 0 H GLU A 11 2.726 11.779 0.368 1.00 0.00 H new ATOM 0 HA GLU A 11 1.668 12.431 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.461 13.596 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.593 12.376 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.188 13.033 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.003 14.217 -3.095 1.00 0.00 H new ATOM 167 N TRP A 12 3.993 10.140 -2.139 1.00 0.00 N ATOM 168 CA TRP A 12 4.637 9.026 -2.803 1.00 0.00 C ATOM 169 C TRP A 12 3.616 7.966 -3.233 1.00 0.00 C ATOM 170 O TRP A 12 3.449 7.703 -4.425 1.00 0.00 O ATOM 171 CB TRP A 12 5.600 8.497 -1.750 1.00 0.00 C ATOM 172 CG TRP A 12 6.349 7.290 -2.173 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.508 7.277 -2.864 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.041 5.917 -1.853 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.928 5.965 -2.995 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.047 5.088 -2.388 1.00 0.00 C ATOM 177 CE3 TRP A 12 4.979 5.327 -1.157 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.006 3.702 -2.229 1.00 0.00 C ATOM 179 CZ3 TRP A 12 4.929 3.936 -0.995 1.00 0.00 C ATOM 180 CH2 TRP A 12 5.942 3.124 -1.529 1.00 0.00 C ATOM 0 H TRP A 12 4.389 10.341 -1.221 1.00 0.00 H new ATOM 0 HA TRP A 12 5.143 9.312 -3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.311 9.283 -1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.041 8.266 -0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.022 8.145 -3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.780 5.680 -3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.196 5.946 -0.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.788 3.082 -2.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.107 3.487 -0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.900 2.053 -1.399 1.00 0.00 H new ATOM 191 N CYS A 13 2.927 7.378 -2.261 1.00 0.00 N ATOM 192 CA CYS A 13 1.917 6.360 -2.547 1.00 0.00 C ATOM 193 C CYS A 13 0.928 6.850 -3.610 1.00 0.00 C ATOM 194 O CYS A 13 0.466 6.086 -4.457 1.00 0.00 O ATOM 195 CB CYS A 13 1.159 6.047 -1.254 1.00 0.00 C ATOM 196 SG CYS A 13 0.292 4.470 -1.418 1.00 0.00 S ATOM 0 H CYS A 13 3.047 7.587 -1.270 1.00 0.00 H new ATOM 0 HA CYS A 13 2.412 5.467 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.854 6.005 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.447 6.843 -1.038 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.347 4.210 -0.316 1.00 0.00 H new ATOM 202 N ARG A 14 0.621 8.139 -3.558 1.00 0.00 N ATOM 203 CA ARG A 14 -0.299 8.749 -4.520 1.00 0.00 C ATOM 204 C ARG A 14 0.347 8.837 -5.896 1.00 0.00 C ATOM 205 O ARG A 14 -0.247 8.480 -6.915 1.00 0.00 O ATOM 206 CB ARG A 14 -0.652 10.164 -4.066 1.00 0.00 C ATOM 207 CG ARG A 14 -1.880 10.664 -4.835 1.00 0.00 C ATOM 208 CD ARG A 14 -2.228 12.084 -4.379 1.00 0.00 C ATOM 209 NE ARG A 14 -2.644 12.081 -2.979 1.00 0.00 N ATOM 210 CZ ARG A 14 -2.942 13.213 -2.347 1.00 0.00 C ATOM 211 NH1 ARG A 14 -1.987 13.994 -1.920 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.190 13.542 -2.149 1.00 0.00 N ATOM 0 H ARG A 14 0.993 8.785 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.195 8.130 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.854 10.173 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.192 10.832 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.680 10.654 -5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.726 9.998 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.364 12.736 -4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.027 12.487 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.707 11.195 -2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.012 13.736 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.216 14.862 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.937 12.931 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.418 14.410 -1.664 1.00 0.00 H new ATOM 226 N ALA A 15 1.569 9.338 -5.905 1.00 0.00 N ATOM 227 CA ALA A 15 2.318 9.508 -7.145 1.00 0.00 C ATOM 228 C ALA A 15 2.262 8.250 -8.009 1.00 0.00 C ATOM 229 O ALA A 15 2.640 8.273 -9.178 1.00 0.00 O ATOM 230 CB ALA A 15 3.775 9.842 -6.828 1.00 0.00 C ATOM 0 H ALA A 15 2.068 9.636 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 15 1.861 10.326 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.330 9.968 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.819 10.766 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.217 9.031 -6.249 1.00 0.00 H new ATOM 236 N MET A 16 1.813 7.152 -7.417 1.00 0.00 N ATOM 237 CA MET A 16 1.726 5.870 -8.122 1.00 0.00 C ATOM 238 C MET A 16 0.292 5.342 -8.115 1.00 0.00 C ATOM 239 O MET A 16 0.011 4.276 -8.661 1.00 0.00 O ATOM 240 CB MET A 16 2.673 4.866 -7.455 1.00 0.00 C ATOM 241 CG MET A 16 2.469 4.900 -5.936 1.00 0.00 C ATOM 242 SD MET A 16 3.821 4.028 -5.109 1.00 0.00 S ATOM 243 CE MET A 16 5.156 5.174 -5.541 1.00 0.00 C ATOM 0 H MET A 16 1.501 7.118 -6.446 1.00 0.00 H new ATOM 0 HA MET A 16 2.021 6.012 -9.162 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.483 3.863 -7.836 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.707 5.108 -7.699 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.426 5.933 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.516 4.438 -5.679 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.890 4.660 -6.162 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.745 6.021 -6.090 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.638 5.531 -4.631 1.00 0.00 H new ATOM 253 N THR A 17 -0.611 6.096 -7.487 1.00 0.00 N ATOM 254 CA THR A 17 -2.017 5.703 -7.406 1.00 0.00 C ATOM 255 C THR A 17 -2.790 6.153 -8.647 1.00 0.00 C ATOM 256 O THR A 17 -3.905 5.694 -8.898 1.00 0.00 O ATOM 257 CB THR A 17 -2.664 6.331 -6.170 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.962 5.917 -5.007 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.124 5.889 -6.073 1.00 0.00 C ATOM 0 H THR A 17 -0.394 6.981 -7.028 1.00 0.00 H new ATOM 0 HA THR A 17 -2.054 4.616 -7.340 1.00 0.00 H new ATOM 0 HB THR A 17 -2.622 7.417 -6.252 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.008 6.112 -5.114 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.582 6.338 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.662 6.211 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.171 4.803 -5.993 1.00 0.00 H new ATOM 267 N ARG A 18 -2.182 7.029 -9.430 1.00 0.00 N ATOM 268 CA ARG A 18 -2.808 7.525 -10.650 1.00 0.00 C ATOM 269 C ARG A 18 -2.984 6.383 -11.645 1.00 0.00 C ATOM 270 O ARG A 18 -3.948 6.343 -12.414 1.00 0.00 O ATOM 271 CB ARG A 18 -1.917 8.607 -11.247 1.00 0.00 C ATOM 272 CG ARG A 18 -1.828 9.771 -10.256 1.00 0.00 C ATOM 273 CD ARG A 18 -1.255 10.998 -10.953 1.00 0.00 C ATOM 274 NE ARG A 18 0.034 10.671 -11.555 1.00 0.00 N ATOM 275 CZ ARG A 18 1.172 11.054 -10.996 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.718 10.321 -10.067 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.732 12.169 -11.365 1.00 0.00 N ATOM 0 H ARG A 18 -1.255 7.413 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.790 7.939 -10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.923 8.208 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.325 8.950 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.817 9.997 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.198 9.494 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.946 11.347 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.136 11.811 -10.237 1.00 0.00 H new ATOM 0 HE ARG A 18 0.059 10.137 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.269 9.454 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.594 10.614 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.295 12.746 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.608 12.466 -10.936 1.00 0.00 H new ATOM 291 N ASN A 19 -2.023 5.475 -11.615 1.00 0.00 N ATOM 292 CA ASN A 19 -2.021 4.320 -12.501 1.00 0.00 C ATOM 293 C ASN A 19 -3.228 3.445 -12.230 1.00 0.00 C ATOM 294 O ASN A 19 -3.821 2.871 -13.148 1.00 0.00 O ATOM 295 CB ASN A 19 -0.749 3.497 -12.283 1.00 0.00 C ATOM 296 CG ASN A 19 -0.745 2.280 -13.208 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.331 2.410 -14.440 1.00 0.00 O flip ATOM 298 ND2 ASN A 19 -1.125 1.184 -12.798 1.00 0.00 N flip ATOM 0 H ASN A 19 -1.226 5.516 -10.980 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.058 4.676 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.129 4.113 -12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.690 3.174 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.448 1.083 -11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.117 0.376 -13.420 1.00 0.00 H new ATOM 305 N TYR A 20 -3.575 3.338 -10.956 1.00 0.00 N ATOM 306 CA TYR A 20 -4.702 2.523 -10.531 1.00 0.00 C ATOM 307 C TYR A 20 -5.909 3.381 -10.165 1.00 0.00 C ATOM 308 O TYR A 20 -6.016 3.862 -9.046 1.00 0.00 O ATOM 309 CB TYR A 20 -4.275 1.703 -9.315 1.00 0.00 C ATOM 310 CG TYR A 20 -3.009 0.946 -9.648 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.048 -0.105 -10.568 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.804 1.294 -9.033 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.883 -0.812 -10.875 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.632 0.590 -9.338 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.669 -0.463 -10.260 1.00 0.00 C ATOM 316 OH TYR A 20 0.484 -1.162 -10.555 1.00 0.00 O ATOM 0 H TYR A 20 -3.088 3.809 -10.194 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.994 1.873 -11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.108 2.358 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.066 1.008 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.981 -0.371 -11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.776 2.106 -8.322 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.915 -1.626 -11.584 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.299 0.859 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 20 0.254 -1.984 -11.037 1.00 0.00 H new ATOM 326 N GLU A 21 -6.805 3.579 -11.124 1.00 0.00 N ATOM 327 CA GLU A 21 -8.006 4.380 -10.894 1.00 0.00 C ATOM 328 C GLU A 21 -8.936 3.676 -9.927 1.00 0.00 C ATOM 329 O GLU A 21 -8.581 2.654 -9.343 1.00 0.00 O ATOM 330 CB GLU A 21 -8.740 4.605 -12.211 1.00 0.00 C ATOM 331 CG GLU A 21 -7.925 5.536 -13.101 1.00 0.00 C ATOM 332 CD GLU A 21 -8.598 5.670 -14.460 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.638 5.059 -14.646 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.065 6.382 -15.294 1.00 0.00 O ATOM 0 H GLU A 21 -6.725 3.198 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.703 5.337 -10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.901 3.653 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.723 5.036 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.834 6.516 -12.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.914 5.146 -13.222 1.00 0.00 H new ATOM 341 N HIS A 22 -10.135 4.230 -9.755 1.00 0.00 N ATOM 342 CA HIS A 22 -11.111 3.646 -8.843 1.00 0.00 C ATOM 343 C HIS A 22 -10.529 3.652 -7.428 1.00 0.00 C ATOM 344 O HIS A 22 -11.164 3.203 -6.472 1.00 0.00 O ATOM 345 CB HIS A 22 -11.483 2.211 -9.316 1.00 0.00 C ATOM 346 CG HIS A 22 -11.634 1.272 -8.150 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.802 1.198 -7.412 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.763 0.389 -7.566 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.602 0.299 -6.431 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.376 -0.222 -6.480 1.00 0.00 N ATOM 0 H HIS A 22 -10.450 5.075 -10.231 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.030 4.233 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.413 2.243 -9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.712 1.837 -9.989 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.657 1.728 -7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.754 0.198 -7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.345 0.032 -5.694 1.00 0.00 H new ATOM 358 N VAL A 23 -9.308 4.168 -7.318 1.00 0.00 N ATOM 359 CA VAL A 23 -8.609 4.243 -6.044 1.00 0.00 C ATOM 360 C VAL A 23 -8.209 5.688 -5.772 1.00 0.00 C ATOM 361 O VAL A 23 -7.601 6.348 -6.618 1.00 0.00 O ATOM 362 CB VAL A 23 -7.363 3.357 -6.109 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.519 3.525 -4.850 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.782 1.894 -6.262 1.00 0.00 C ATOM 0 H VAL A 23 -8.780 4.543 -8.106 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.258 3.897 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.764 3.656 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.638 2.887 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.208 4.565 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.108 3.243 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.894 1.264 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.392 1.599 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.359 1.775 -7.179 1.00 0.00 H new ATOM 374 N ASP A 24 -8.545 6.174 -4.582 1.00 0.00 N ATOM 375 CA ASP A 24 -8.216 7.548 -4.184 1.00 0.00 C ATOM 376 C ASP A 24 -7.708 7.564 -2.747 1.00 0.00 C ATOM 377 O ASP A 24 -8.473 7.359 -1.804 1.00 0.00 O ATOM 378 CB ASP A 24 -9.455 8.438 -4.300 1.00 0.00 C ATOM 379 CG ASP A 24 -9.078 9.887 -4.014 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.946 10.117 -3.621 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.924 10.747 -4.195 1.00 0.00 O ATOM 0 H ASP A 24 -9.046 5.640 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.438 7.930 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.882 8.354 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.220 8.106 -3.598 1.00 0.00 H new ATOM 386 N ILE A 25 -6.406 7.776 -2.587 1.00 0.00 N ATOM 387 CA ILE A 25 -5.797 7.777 -1.258 1.00 0.00 C ATOM 388 C ILE A 25 -5.904 9.143 -0.574 1.00 0.00 C ATOM 389 O ILE A 25 -4.992 9.970 -0.644 1.00 0.00 O ATOM 390 CB ILE A 25 -4.340 7.323 -1.375 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.334 5.896 -1.945 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.682 7.323 0.007 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.909 5.463 -2.300 1.00 0.00 C ATOM 0 H ILE A 25 -5.755 7.948 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.344 7.078 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.786 7.999 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.759 5.206 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.965 5.850 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.645 6.999 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.712 8.329 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.219 6.641 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.926 4.450 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.497 6.143 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.288 5.488 -1.405 1.00 0.00 H new ATOM 405 N GLN A 26 -7.032 9.338 0.122 1.00 0.00 N ATOM 406 CA GLN A 26 -7.293 10.570 0.871 1.00 0.00 C ATOM 407 C GLN A 26 -6.854 10.377 2.314 1.00 0.00 C ATOM 408 O GLN A 26 -6.537 11.332 3.026 1.00 0.00 O ATOM 409 CB GLN A 26 -8.786 10.907 0.831 1.00 0.00 C ATOM 410 CG GLN A 26 -9.185 11.298 -0.592 1.00 0.00 C ATOM 411 CD GLN A 26 -10.682 11.577 -0.654 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.491 10.674 -0.444 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.101 12.782 -0.926 1.00 0.00 N ATOM 0 H GLN A 26 -7.783 8.650 0.180 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.735 11.390 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.372 10.049 1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.003 11.725 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.629 12.181 -0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.927 10.497 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.428 13.529 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.101 12.977 -0.965 1.00 0.00 H new ATOM 422 N ASN A 27 -6.817 9.117 2.720 1.00 0.00 N ATOM 423 CA ASN A 27 -6.395 8.747 4.062 1.00 0.00 C ATOM 424 C ASN A 27 -5.705 7.401 3.987 1.00 0.00 C ATOM 425 O ASN A 27 -5.506 6.860 2.897 1.00 0.00 O ATOM 426 CB ASN A 27 -7.597 8.669 5.013 1.00 0.00 C ATOM 427 CG ASN A 27 -7.128 8.726 6.467 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.182 9.443 6.787 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.741 8.010 7.371 1.00 0.00 N ATOM 0 H ASN A 27 -7.077 8.326 2.132 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.713 9.503 4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.282 9.493 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.149 7.745 4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.435 8.045 8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.526 7.415 7.105 1.00 0.00 H new ATOM 436 N PHE A 28 -5.328 6.860 5.133 1.00 0.00 N ATOM 437 CA PHE A 28 -4.646 5.570 5.161 1.00 0.00 C ATOM 438 C PHE A 28 -5.594 4.482 5.639 1.00 0.00 C ATOM 439 O PHE A 28 -5.254 3.299 5.641 1.00 0.00 O ATOM 440 CB PHE A 28 -3.440 5.660 6.094 1.00 0.00 C ATOM 441 CG PHE A 28 -2.340 6.444 5.418 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.429 5.787 4.582 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.235 7.825 5.618 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.413 6.511 3.947 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.217 8.550 4.983 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.308 7.891 4.149 1.00 0.00 C ATOM 0 H PHE A 28 -5.478 7.285 6.048 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.311 5.318 4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.725 6.143 7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.087 4.660 6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.510 4.721 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.938 8.332 6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.289 6.004 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.135 9.616 5.138 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.477 8.449 3.660 1.00 0.00 H new ATOM 456 N SER A 29 -6.774 4.901 6.077 1.00 0.00 N ATOM 457 CA SER A 29 -7.776 3.975 6.610 1.00 0.00 C ATOM 458 C SER A 29 -8.943 3.743 5.653 1.00 0.00 C ATOM 459 O SER A 29 -9.129 2.642 5.134 1.00 0.00 O ATOM 460 CB SER A 29 -8.323 4.551 7.915 1.00 0.00 C ATOM 461 OG SER A 29 -9.041 5.744 7.635 1.00 0.00 O ATOM 0 H SER A 29 -7.065 5.878 6.075 1.00 0.00 H new ATOM 0 HA SER A 29 -7.285 3.014 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.975 3.826 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.506 4.758 8.606 1.00 0.00 H new ATOM 0 HG SER A 29 -9.395 6.117 8.470 1.00 0.00 H new ATOM 467 N SER A 30 -9.744 4.777 5.462 1.00 0.00 N ATOM 468 CA SER A 30 -10.926 4.683 4.610 1.00 0.00 C ATOM 469 C SER A 30 -10.584 4.300 3.179 1.00 0.00 C ATOM 470 O SER A 30 -11.250 3.456 2.579 1.00 0.00 O ATOM 471 CB SER A 30 -11.654 6.026 4.591 1.00 0.00 C ATOM 472 OG SER A 30 -10.774 7.031 4.106 1.00 0.00 O ATOM 0 H SER A 30 -9.601 5.694 5.884 1.00 0.00 H new ATOM 0 HA SER A 30 -11.558 3.900 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.538 5.964 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.998 6.280 5.594 1.00 0.00 H new ATOM 0 HG SER A 30 -11.239 7.894 4.091 1.00 0.00 H new ATOM 478 N SER A 31 -9.568 4.930 2.624 1.00 0.00 N ATOM 479 CA SER A 31 -9.185 4.652 1.250 1.00 0.00 C ATOM 480 C SER A 31 -8.481 3.307 1.133 1.00 0.00 C ATOM 481 O SER A 31 -7.976 2.953 0.068 1.00 0.00 O ATOM 482 CB SER A 31 -8.284 5.764 0.735 1.00 0.00 C ATOM 483 OG SER A 31 -9.055 6.947 0.579 1.00 0.00 O ATOM 0 H SER A 31 -8.997 5.631 3.095 1.00 0.00 H new ATOM 0 HA SER A 31 -10.090 4.607 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.464 5.938 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.838 5.477 -0.217 1.00 0.00 H new ATOM 0 HG SER A 31 -9.247 7.089 -0.371 1.00 0.00 H new ATOM 489 N TRP A 32 -8.444 2.564 2.237 1.00 0.00 N ATOM 490 CA TRP A 32 -7.793 1.255 2.264 1.00 0.00 C ATOM 491 C TRP A 32 -8.791 0.133 2.547 1.00 0.00 C ATOM 492 O TRP A 32 -8.442 -1.045 2.474 1.00 0.00 O ATOM 493 CB TRP A 32 -6.731 1.278 3.353 1.00 0.00 C ATOM 494 CG TRP A 32 -5.600 2.128 2.915 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.657 3.467 2.770 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.253 1.727 2.565 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.423 3.916 2.343 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.520 2.879 2.210 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.604 0.486 2.524 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.183 2.802 1.830 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.258 0.405 2.136 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.550 1.559 1.793 1.00 0.00 C ATOM 0 H TRP A 32 -8.857 2.846 3.126 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.350 1.060 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.153 1.664 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.382 0.266 3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.523 4.085 2.957 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.205 4.893 2.150 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.142 -0.411 2.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.640 3.697 1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.766 -0.556 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.513 1.489 1.499 1.00 0.00 H new ATOM 513 N SER A 33 -10.023 0.496 2.893 1.00 0.00 N ATOM 514 CA SER A 33 -11.042 -0.497 3.204 1.00 0.00 C ATOM 515 C SER A 33 -11.221 -1.486 2.052 1.00 0.00 C ATOM 516 O SER A 33 -11.419 -2.678 2.280 1.00 0.00 O ATOM 517 CB SER A 33 -12.367 0.199 3.483 1.00 0.00 C ATOM 518 OG SER A 33 -12.200 1.121 4.552 1.00 0.00 O ATOM 0 H SER A 33 -10.337 1.464 2.964 1.00 0.00 H new ATOM 0 HA SER A 33 -10.718 -1.050 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.712 0.720 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.130 -0.536 3.738 1.00 0.00 H new ATOM 0 HG SER A 33 -12.480 0.702 5.392 1.00 0.00 H new ATOM 524 N SER A 34 -11.165 -0.990 0.819 1.00 0.00 N ATOM 525 CA SER A 34 -11.335 -1.850 -0.348 1.00 0.00 C ATOM 526 C SER A 34 -10.219 -2.884 -0.459 1.00 0.00 C ATOM 527 O SER A 34 -10.400 -3.939 -1.066 1.00 0.00 O ATOM 528 CB SER A 34 -11.350 -0.995 -1.620 1.00 0.00 C ATOM 529 OG SER A 34 -11.963 0.253 -1.338 1.00 0.00 O ATOM 0 H SER A 34 -11.005 -0.006 0.603 1.00 0.00 H new ATOM 0 HA SER A 34 -12.281 -2.379 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.333 -0.841 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.894 -1.510 -2.412 1.00 0.00 H new ATOM 0 HG SER A 34 -11.973 0.803 -2.149 1.00 0.00 H new ATOM 535 N GLY A 35 -9.054 -2.561 0.089 1.00 0.00 N ATOM 536 CA GLY A 35 -7.916 -3.465 -0.002 1.00 0.00 C ATOM 537 C GLY A 35 -7.259 -3.289 -1.361 1.00 0.00 C ATOM 538 O GLY A 35 -6.156 -3.777 -1.611 1.00 0.00 O ATOM 0 H GLY A 35 -8.874 -1.693 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.201 -3.253 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.242 -4.497 0.129 1.00 0.00 H new ATOM 542 N MET A 36 -7.960 -2.564 -2.224 1.00 0.00 N ATOM 543 CA MET A 36 -7.483 -2.278 -3.564 1.00 0.00 C ATOM 544 C MET A 36 -6.191 -1.471 -3.504 1.00 0.00 C ATOM 545 O MET A 36 -5.375 -1.521 -4.424 1.00 0.00 O ATOM 546 CB MET A 36 -8.556 -1.490 -4.322 1.00 0.00 C ATOM 547 CG MET A 36 -9.868 -2.286 -4.350 1.00 0.00 C ATOM 548 SD MET A 36 -9.706 -3.694 -5.477 1.00 0.00 S ATOM 549 CE MET A 36 -10.420 -2.895 -6.937 1.00 0.00 C ATOM 0 H MET A 36 -8.872 -2.160 -2.012 1.00 0.00 H new ATOM 0 HA MET A 36 -7.282 -3.215 -4.082 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.717 -0.524 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.221 -1.289 -5.340 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.113 -2.637 -3.347 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.687 -1.643 -4.672 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.420 -3.596 -7.772 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.443 -2.588 -6.720 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.827 -2.019 -7.199 1.00 0.00 H new ATOM 559 N ALA A 37 -6.021 -0.712 -2.425 1.00 0.00 N ATOM 560 CA ALA A 37 -4.827 0.112 -2.270 1.00 0.00 C ATOM 561 C ALA A 37 -3.572 -0.745 -2.071 1.00 0.00 C ATOM 562 O ALA A 37 -2.563 -0.539 -2.747 1.00 0.00 O ATOM 563 CB ALA A 37 -4.998 1.064 -1.088 1.00 0.00 C ATOM 0 H ALA A 37 -6.686 -0.650 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.699 0.687 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.102 1.675 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.859 1.710 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.156 0.488 -0.176 1.00 0.00 H new ATOM 569 N PHE A 38 -3.625 -1.696 -1.136 1.00 0.00 N ATOM 570 CA PHE A 38 -2.463 -2.549 -0.869 1.00 0.00 C ATOM 571 C PHE A 38 -2.031 -3.299 -2.129 1.00 0.00 C ATOM 572 O PHE A 38 -0.842 -3.375 -2.436 1.00 0.00 O ATOM 573 CB PHE A 38 -2.784 -3.559 0.267 1.00 0.00 C ATOM 574 CG PHE A 38 -2.203 -3.073 1.582 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.815 -2.936 1.707 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.038 -2.766 2.663 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.261 -2.494 2.912 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.481 -2.323 3.871 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.093 -2.188 3.993 1.00 0.00 C ATOM 0 H PHE A 38 -4.443 -1.894 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.640 -1.907 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.863 -3.680 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.373 -4.538 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.172 -3.172 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.109 -2.870 2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.810 -2.389 3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.122 -2.086 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.664 -1.847 4.924 1.00 0.00 H new ATOM 589 N CYS A 39 -2.990 -3.858 -2.846 1.00 0.00 N ATOM 590 CA CYS A 39 -2.674 -4.600 -4.060 1.00 0.00 C ATOM 591 C CYS A 39 -2.119 -3.673 -5.141 1.00 0.00 C ATOM 592 O CYS A 39 -1.121 -3.984 -5.789 1.00 0.00 O ATOM 593 CB CYS A 39 -3.936 -5.296 -4.585 1.00 0.00 C ATOM 594 SG CYS A 39 -4.121 -6.904 -3.781 1.00 0.00 S ATOM 0 H CYS A 39 -3.983 -3.815 -2.615 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.915 -5.343 -3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.812 -4.678 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.870 -5.424 -5.665 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.713 -6.750 -2.634 1.00 0.00 H new ATOM 600 N ALA A 40 -2.801 -2.550 -5.341 1.00 0.00 N ATOM 601 CA ALA A 40 -2.415 -1.580 -6.363 1.00 0.00 C ATOM 602 C ALA A 40 -1.022 -1.001 -6.120 1.00 0.00 C ATOM 603 O ALA A 40 -0.243 -0.827 -7.057 1.00 0.00 O ATOM 604 CB ALA A 40 -3.435 -0.444 -6.372 1.00 0.00 C ATOM 0 H ALA A 40 -3.629 -2.287 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.392 -2.097 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.158 0.288 -7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.423 -0.844 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.453 0.037 -5.394 1.00 0.00 H new ATOM 610 N LEU A 41 -0.724 -0.688 -4.869 1.00 0.00 N ATOM 611 CA LEU A 41 0.568 -0.107 -4.517 1.00 0.00 C ATOM 612 C LEU A 41 1.710 -1.072 -4.855 1.00 0.00 C ATOM 613 O LEU A 41 2.740 -0.668 -5.392 1.00 0.00 O ATOM 614 CB LEU A 41 0.559 0.228 -3.020 1.00 0.00 C ATOM 615 CG LEU A 41 1.908 0.803 -2.567 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.263 2.050 -3.387 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.801 1.177 -1.084 1.00 0.00 C ATOM 0 H LEU A 41 -1.356 -0.825 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 41 0.732 0.802 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.233 0.947 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.333 -0.671 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 41 2.690 0.059 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.222 2.445 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.328 1.785 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.491 2.808 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.751 1.588 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.015 1.921 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.560 0.288 -0.501 1.00 0.00 H new ATOM 629 N ILE A 42 1.510 -2.345 -4.539 1.00 0.00 N ATOM 630 CA ILE A 42 2.510 -3.378 -4.810 1.00 0.00 C ATOM 631 C ILE A 42 2.698 -3.599 -6.318 1.00 0.00 C ATOM 632 O ILE A 42 3.823 -3.767 -6.791 1.00 0.00 O ATOM 633 CB ILE A 42 2.071 -4.690 -4.124 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.407 -4.633 -2.620 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.755 -5.911 -4.762 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.932 -4.521 -2.387 1.00 0.00 C ATOM 0 H ILE A 42 0.661 -2.691 -4.092 1.00 0.00 H new ATOM 0 HA ILE A 42 3.470 -3.052 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 42 0.994 -4.795 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.904 -3.779 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.027 -5.527 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.425 -6.818 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.489 -5.967 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.836 -5.814 -4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.135 -4.483 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.431 -5.388 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.307 -3.613 -2.860 1.00 0.00 H new ATOM 648 N HIS A 43 1.590 -3.633 -7.048 1.00 0.00 N ATOM 649 CA HIS A 43 1.631 -3.869 -8.490 1.00 0.00 C ATOM 650 C HIS A 43 2.525 -2.848 -9.194 1.00 0.00 C ATOM 651 O HIS A 43 2.869 -3.009 -10.367 1.00 0.00 O ATOM 652 CB HIS A 43 0.210 -3.780 -9.048 1.00 0.00 C ATOM 653 CG HIS A 43 0.201 -4.173 -10.500 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.125 -3.276 -11.505 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.457 -5.362 -11.131 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.059 -3.934 -12.675 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.293 -5.210 -12.505 1.00 0.00 N ATOM 0 H HIS A 43 0.653 -3.501 -6.668 1.00 0.00 H new ATOM 0 HA HIS A 43 2.047 -4.860 -8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.453 -4.434 -8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.171 -2.765 -8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.743 -6.279 -10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.266 -3.485 -13.635 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.415 -5.921 -13.226 1.00 0.00 H new ATOM 665 N LYS A 44 2.888 -1.797 -8.467 1.00 0.00 N ATOM 666 CA LYS A 44 3.734 -0.741 -9.019 1.00 0.00 C ATOM 667 C LYS A 44 5.205 -1.149 -9.035 1.00 0.00 C ATOM 668 O LYS A 44 5.947 -0.806 -9.956 1.00 0.00 O ATOM 669 CB LYS A 44 3.575 0.536 -8.180 1.00 0.00 C ATOM 670 CG LYS A 44 4.419 1.685 -8.756 1.00 0.00 C ATOM 671 CD LYS A 44 3.884 2.094 -10.132 1.00 0.00 C ATOM 672 CE LYS A 44 4.457 3.456 -10.516 1.00 0.00 C ATOM 673 NZ LYS A 44 3.865 3.888 -11.812 1.00 0.00 N ATOM 0 H LYS A 44 2.611 -1.652 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 44 3.418 -0.563 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.526 0.829 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.877 0.339 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.394 2.539 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.461 1.375 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.160 1.348 -10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.795 2.138 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.237 4.189 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.542 3.397 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.252 4.816 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.097 3.192 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.832 3.959 -11.715 1.00 0.00 H new ATOM 687 N PHE A 45 5.626 -1.852 -7.990 1.00 0.00 N ATOM 688 CA PHE A 45 7.017 -2.273 -7.862 1.00 0.00 C ATOM 689 C PHE A 45 7.303 -3.547 -8.652 1.00 0.00 C ATOM 690 O PHE A 45 8.356 -3.678 -9.276 1.00 0.00 O ATOM 691 CB PHE A 45 7.331 -2.503 -6.378 1.00 0.00 C ATOM 692 CG PHE A 45 6.591 -1.487 -5.529 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.545 -0.134 -5.906 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.949 -1.903 -4.355 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.860 0.792 -5.108 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.267 -0.976 -3.562 1.00 0.00 C ATOM 697 CZ PHE A 45 5.222 0.370 -3.936 1.00 0.00 C ATOM 0 H PHE A 45 5.025 -2.143 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 45 7.651 -1.486 -8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.040 -3.513 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.404 -2.419 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.037 0.192 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.981 -2.942 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.824 1.832 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.773 -1.301 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.695 1.084 -3.321 1.00 0.00 H new ATOM 707 N PHE A 46 6.380 -4.502 -8.591 1.00 0.00 N ATOM 708 CA PHE A 46 6.558 -5.786 -9.273 1.00 0.00 C ATOM 709 C PHE A 46 5.409 -6.065 -10.253 1.00 0.00 C ATOM 710 O PHE A 46 4.548 -6.881 -9.963 1.00 0.00 O ATOM 711 CB PHE A 46 6.608 -6.869 -8.198 1.00 0.00 C ATOM 712 CG PHE A 46 7.495 -6.383 -7.076 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.861 -6.197 -7.309 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.955 -6.108 -5.816 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.686 -5.736 -6.280 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.779 -5.647 -4.788 1.00 0.00 C ATOM 717 CZ PHE A 46 9.143 -5.462 -5.019 1.00 0.00 C ATOM 0 H PHE A 46 5.502 -4.415 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 46 7.478 -5.770 -9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.606 -7.081 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.996 -7.799 -8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.278 -6.409 -8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.900 -6.252 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.741 -5.591 -6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.362 -5.434 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.781 -5.107 -4.223 1.00 0.00 H new ATOM 727 N PRO A 47 5.363 -5.413 -11.403 1.00 0.00 N ATOM 728 CA PRO A 47 4.257 -5.627 -12.391 1.00 0.00 C ATOM 729 C PRO A 47 3.976 -7.115 -12.601 1.00 0.00 C ATOM 730 O PRO A 47 2.832 -7.519 -12.802 1.00 0.00 O ATOM 731 CB PRO A 47 4.769 -4.981 -13.705 1.00 0.00 C ATOM 732 CG PRO A 47 6.156 -4.462 -13.418 1.00 0.00 C ATOM 733 CD PRO A 47 6.322 -4.408 -11.898 1.00 0.00 C ATOM 0 HA PRO A 47 3.320 -5.189 -12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.788 -5.711 -14.514 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.110 -4.172 -14.021 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.909 -5.113 -13.863 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.293 -3.472 -13.854 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.342 -4.647 -11.598 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.099 -3.416 -11.506 1.00 0.00 H new ATOM 741 N GLU A 48 5.033 -7.917 -12.545 1.00 0.00 N ATOM 742 CA GLU A 48 4.892 -9.354 -12.720 1.00 0.00 C ATOM 743 C GLU A 48 4.066 -9.916 -11.570 1.00 0.00 C ATOM 744 O GLU A 48 3.743 -11.104 -11.529 1.00 0.00 O ATOM 745 CB GLU A 48 6.280 -10.012 -12.758 1.00 0.00 C ATOM 746 CG GLU A 48 7.036 -9.702 -11.462 1.00 0.00 C ATOM 747 CD GLU A 48 8.432 -10.314 -11.504 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.524 -11.522 -11.645 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.390 -9.565 -11.392 1.00 0.00 O ATOM 0 H GLU A 48 5.988 -7.599 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 48 4.385 -9.565 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.178 -11.090 -12.882 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.844 -9.645 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.109 -8.623 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.484 -10.096 -10.608 1.00 0.00 H new ATOM 756 N ALA A 49 3.749 -9.031 -10.634 1.00 0.00 N ATOM 757 CA ALA A 49 2.972 -9.383 -9.449 1.00 0.00 C ATOM 758 C ALA A 49 1.677 -10.078 -9.817 1.00 0.00 C ATOM 759 O ALA A 49 1.500 -11.272 -9.599 1.00 0.00 O ATOM 760 CB ALA A 49 2.628 -8.111 -8.664 1.00 0.00 C ATOM 0 H ALA A 49 4.022 -8.049 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 49 3.578 -10.061 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.048 -8.375 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.548 -7.612 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.043 -7.441 -9.295 1.00 0.00 H new ATOM 766 N PHE A 50 0.770 -9.298 -10.386 1.00 0.00 N ATOM 767 CA PHE A 50 -0.519 -9.802 -10.799 1.00 0.00 C ATOM 768 C PHE A 50 -1.236 -8.749 -11.635 1.00 0.00 C ATOM 769 O PHE A 50 -0.873 -7.577 -11.627 1.00 0.00 O ATOM 770 CB PHE A 50 -1.374 -10.160 -9.578 1.00 0.00 C ATOM 771 CG PHE A 50 -1.226 -9.089 -8.517 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.843 -7.841 -8.686 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.478 -9.347 -7.360 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.709 -6.855 -7.700 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.346 -8.358 -6.375 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.961 -7.112 -6.545 1.00 0.00 C ATOM 0 H PHE A 50 0.911 -8.305 -10.571 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.367 -10.702 -11.395 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.420 -10.254 -9.870 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.067 -11.126 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.421 -7.640 -9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.003 -10.308 -7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.184 -5.894 -7.831 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.231 -8.558 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.859 -6.350 -5.786 1.00 0.00 H new ATOM 786 N ASP A 51 -2.277 -9.171 -12.334 1.00 0.00 N ATOM 787 CA ASP A 51 -3.060 -8.252 -13.149 1.00 0.00 C ATOM 788 C ASP A 51 -4.079 -7.538 -12.266 1.00 0.00 C ATOM 789 O ASP A 51 -5.158 -8.058 -11.994 1.00 0.00 O ATOM 790 CB ASP A 51 -3.785 -9.016 -14.259 1.00 0.00 C ATOM 791 CG ASP A 51 -2.801 -9.430 -15.348 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.693 -8.921 -15.345 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.174 -10.250 -16.171 1.00 0.00 O ATOM 0 H ASP A 51 -2.600 -10.138 -12.355 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.393 -7.521 -13.605 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.271 -9.899 -13.844 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.569 -8.392 -14.687 1.00 0.00 H new ATOM 798 N TYR A 52 -3.717 -6.349 -11.789 1.00 0.00 N ATOM 799 CA TYR A 52 -4.596 -5.579 -10.916 1.00 0.00 C ATOM 800 C TYR A 52 -5.886 -5.220 -11.619 1.00 0.00 C ATOM 801 O TYR A 52 -6.899 -4.939 -10.979 1.00 0.00 O ATOM 802 CB TYR A 52 -3.891 -4.289 -10.492 1.00 0.00 C ATOM 803 CG TYR A 52 -4.843 -3.408 -9.706 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.047 -3.635 -8.341 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.527 -2.368 -10.350 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.932 -2.825 -7.619 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.412 -1.557 -9.628 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.613 -1.786 -8.263 1.00 0.00 C ATOM 809 OH TYR A 52 -7.488 -0.988 -7.550 1.00 0.00 O ATOM 0 H TYR A 52 -2.824 -5.900 -11.992 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.829 -6.191 -10.045 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.017 -4.526 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.532 -3.755 -11.372 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.521 -4.436 -7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.372 -2.192 -11.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.089 -3.002 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.939 -0.756 -10.125 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.693 -0.183 -8.069 1.00 0.00 H new ATOM 819 N ALA A 53 -5.845 -5.229 -12.938 1.00 0.00 N ATOM 820 CA ALA A 53 -7.021 -4.900 -13.725 1.00 0.00 C ATOM 821 C ALA A 53 -7.968 -6.092 -13.801 1.00 0.00 C ATOM 822 O ALA A 53 -9.125 -5.947 -14.193 1.00 0.00 O ATOM 823 CB ALA A 53 -6.595 -4.493 -15.134 1.00 0.00 C ATOM 0 H ALA A 53 -5.016 -5.459 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.542 -4.072 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.478 -4.246 -15.724 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.940 -3.623 -15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.062 -5.319 -15.606 1.00 0.00 H new ATOM 829 N GLU A 54 -7.467 -7.268 -13.428 1.00 0.00 N ATOM 830 CA GLU A 54 -8.266 -8.483 -13.454 1.00 0.00 C ATOM 831 C GLU A 54 -8.936 -8.715 -12.109 1.00 0.00 C ATOM 832 O GLU A 54 -9.841 -9.541 -11.995 1.00 0.00 O ATOM 833 CB GLU A 54 -7.350 -9.667 -13.765 1.00 0.00 C ATOM 834 CG GLU A 54 -7.044 -9.727 -15.264 1.00 0.00 C ATOM 835 CD GLU A 54 -6.037 -10.837 -15.542 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.751 -11.594 -14.628 1.00 0.00 O ATOM 837 OE2 GLU A 54 -5.571 -10.922 -16.666 1.00 0.00 O ATOM 0 H GLU A 54 -6.509 -7.401 -13.104 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.038 -8.383 -14.217 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.422 -9.574 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.825 -10.595 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.961 -9.907 -15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.646 -8.770 -15.602 1.00 0.00 H new ATOM 844 N LEU A 55 -8.480 -7.999 -11.090 1.00 0.00 N ATOM 845 CA LEU A 55 -9.034 -8.148 -9.753 1.00 0.00 C ATOM 846 C LEU A 55 -10.280 -7.295 -9.583 1.00 0.00 C ATOM 847 O LEU A 55 -10.436 -6.262 -10.235 1.00 0.00 O ATOM 848 CB LEU A 55 -7.969 -7.742 -8.736 1.00 0.00 C ATOM 849 CG LEU A 55 -6.855 -8.808 -8.701 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.651 -8.292 -7.899 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.386 -10.114 -8.067 1.00 0.00 C ATOM 0 H LEU A 55 -7.730 -7.311 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.322 -9.187 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.550 -6.772 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.417 -7.636 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.538 -9.013 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.872 -9.054 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.263 -7.387 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.962 -8.069 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.590 -10.859 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.721 -9.914 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.222 -10.491 -8.656 1.00 0.00 H new ATOM 863 N ASP A 56 -11.177 -7.751 -8.704 1.00 0.00 N ATOM 864 CA ASP A 56 -12.430 -7.052 -8.440 1.00 0.00 C ATOM 865 C ASP A 56 -12.525 -6.665 -6.956 1.00 0.00 C ATOM 866 O ASP A 56 -11.808 -7.225 -6.126 1.00 0.00 O ATOM 867 CB ASP A 56 -13.598 -7.971 -8.826 1.00 0.00 C ATOM 868 CG ASP A 56 -13.305 -9.406 -8.397 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.046 -9.615 -7.226 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.366 -10.279 -9.250 1.00 0.00 O ATOM 0 H ASP A 56 -11.054 -8.606 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.470 -6.137 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.516 -7.623 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.760 -7.932 -9.903 1.00 0.00 H new ATOM 875 N PRO A 57 -13.393 -5.740 -6.600 1.00 0.00 N ATOM 876 CA PRO A 57 -13.565 -5.316 -5.181 1.00 0.00 C ATOM 877 C PRO A 57 -14.325 -6.383 -4.407 1.00 0.00 C ATOM 878 O PRO A 57 -14.405 -6.349 -3.184 1.00 0.00 O ATOM 879 CB PRO A 57 -14.365 -3.992 -5.251 1.00 0.00 C ATOM 880 CG PRO A 57 -14.636 -3.728 -6.710 1.00 0.00 C ATOM 881 CD PRO A 57 -14.313 -5.006 -7.482 1.00 0.00 C ATOM 0 HA PRO A 57 -12.614 -5.178 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.297 -4.073 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.798 -3.173 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.678 -3.444 -6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.025 -2.900 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.213 -5.585 -7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.850 -4.784 -8.443 1.00 0.00 H new ATOM 889 N ALA A 58 -14.897 -7.316 -5.151 1.00 0.00 N ATOM 890 CA ALA A 58 -15.665 -8.404 -4.562 1.00 0.00 C ATOM 891 C ALA A 58 -14.744 -9.349 -3.799 1.00 0.00 C ATOM 892 O ALA A 58 -15.050 -9.773 -2.684 1.00 0.00 O ATOM 893 CB ALA A 58 -16.375 -9.182 -5.672 1.00 0.00 C ATOM 0 H ALA A 58 -14.844 -7.342 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.397 -7.986 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.951 -9.997 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.045 -8.514 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.635 -9.590 -6.361 1.00 0.00 H new ATOM 899 N LYS A 59 -13.620 -9.678 -4.427 1.00 0.00 N ATOM 900 CA LYS A 59 -12.638 -10.588 -3.841 1.00 0.00 C ATOM 901 C LYS A 59 -11.633 -9.837 -2.964 1.00 0.00 C ATOM 902 O LYS A 59 -10.458 -9.721 -3.314 1.00 0.00 O ATOM 903 CB LYS A 59 -11.893 -11.302 -4.973 1.00 0.00 C ATOM 904 CG LYS A 59 -12.856 -12.219 -5.744 1.00 0.00 C ATOM 905 CD LYS A 59 -12.148 -12.815 -6.970 1.00 0.00 C ATOM 906 CE LYS A 59 -11.194 -13.929 -6.533 1.00 0.00 C ATOM 907 NZ LYS A 59 -10.720 -14.671 -7.731 1.00 0.00 N ATOM 0 H LYS A 59 -13.364 -9.326 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.161 -11.307 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.456 -10.568 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.070 -11.888 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.208 -13.019 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.734 -11.655 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.885 -13.210 -7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.595 -12.036 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.346 -13.506 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.700 -14.608 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.071 -15.429 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.534 -15.086 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.222 -14.018 -8.369 1.00 0.00 H new ATOM 921 N ARG A 60 -12.102 -9.321 -1.832 1.00 0.00 N ATOM 922 CA ARG A 60 -11.232 -8.574 -0.925 1.00 0.00 C ATOM 923 C ARG A 60 -10.268 -9.489 -0.162 1.00 0.00 C ATOM 924 O ARG A 60 -9.079 -9.190 -0.050 1.00 0.00 O ATOM 925 CB ARG A 60 -12.083 -7.784 0.073 1.00 0.00 C ATOM 926 CG ARG A 60 -12.993 -6.829 -0.696 1.00 0.00 C ATOM 927 CD ARG A 60 -13.779 -5.958 0.285 1.00 0.00 C ATOM 928 NE ARG A 60 -14.725 -6.775 1.036 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.520 -6.239 1.955 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.281 -5.225 1.647 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.540 -6.727 3.164 1.00 0.00 N ATOM 0 H ARG A 60 -13.070 -9.404 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.633 -7.895 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.679 -8.465 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.442 -7.226 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.398 -6.200 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.680 -7.395 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.093 -5.460 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.312 -5.177 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.777 -7.777 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.265 -4.844 0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.892 -4.813 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.945 -7.520 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.150 -6.316 3.870 1.00 0.00 H new ATOM 945 N ARG A 61 -10.776 -10.589 0.379 1.00 0.00 N ATOM 946 CA ARG A 61 -9.930 -11.499 1.152 1.00 0.00 C ATOM 947 C ARG A 61 -8.690 -11.876 0.360 1.00 0.00 C ATOM 948 O ARG A 61 -7.571 -11.831 0.870 1.00 0.00 O ATOM 949 CB ARG A 61 -10.705 -12.773 1.466 1.00 0.00 C ATOM 950 CG ARG A 61 -11.842 -12.463 2.438 1.00 0.00 C ATOM 951 CD ARG A 61 -12.704 -13.713 2.625 1.00 0.00 C ATOM 952 NE ARG A 61 -13.800 -13.436 3.546 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.830 -14.270 3.664 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.640 -15.483 4.108 1.00 0.00 N ATOM 955 NH2 ARG A 61 -16.031 -13.876 3.336 1.00 0.00 N ATOM 0 H ARG A 61 -11.753 -10.873 0.301 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.635 -10.995 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.107 -13.201 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.037 -13.518 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.438 -12.140 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.449 -11.643 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.101 -14.037 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.094 -14.530 3.010 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.777 -12.587 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.702 -15.791 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.429 -16.122 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.180 -12.928 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.820 -14.516 3.427 1.00 0.00 H new ATOM 969 N HIS A 62 -8.912 -12.243 -0.889 1.00 0.00 N ATOM 970 CA HIS A 62 -7.827 -12.628 -1.770 1.00 0.00 C ATOM 971 C HIS A 62 -6.922 -11.437 -2.065 1.00 0.00 C ATOM 972 O HIS A 62 -5.712 -11.589 -2.188 1.00 0.00 O ATOM 973 CB HIS A 62 -8.415 -13.174 -3.072 1.00 0.00 C ATOM 974 CG HIS A 62 -8.931 -14.573 -2.852 1.00 0.00 C ATOM 975 ND1 HIS A 62 -9.303 -15.398 -3.902 1.00 0.00 N ATOM 976 CD2 HIS A 62 -9.141 -15.305 -1.708 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.714 -16.566 -3.374 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.636 -16.562 -2.041 1.00 0.00 N ATOM 0 H HIS A 62 -9.837 -12.282 -1.316 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.226 -13.396 -1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.223 -12.528 -3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.654 -13.176 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.951 -14.957 -0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.064 -17.404 -3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.886 -17.318 -1.404 1.00 0.00 H new ATOM 986 N ASN A 63 -7.524 -10.261 -2.193 1.00 0.00 N ATOM 987 CA ASN A 63 -6.768 -9.043 -2.490 1.00 0.00 C ATOM 988 C ASN A 63 -5.775 -8.748 -1.384 1.00 0.00 C ATOM 989 O ASN A 63 -4.619 -8.419 -1.639 1.00 0.00 O ATOM 990 CB ASN A 63 -7.734 -7.864 -2.616 1.00 0.00 C ATOM 991 CG ASN A 63 -7.034 -6.634 -3.191 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.284 -5.954 -2.490 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.257 -6.296 -4.431 1.00 0.00 N ATOM 0 H ASN A 63 -8.530 -10.121 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.227 -9.190 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.570 -8.143 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.149 -7.625 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.810 -5.467 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.879 -6.861 -5.010 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.220 -8.894 -0.149 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.332 -8.648 0.977 1.00 0.00 C ATOM 1002 C PHE A 64 -4.248 -9.724 1.023 1.00 0.00 C ATOM 1003 O PHE A 64 -3.057 -9.417 1.005 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.128 -8.624 2.288 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.862 -7.302 2.427 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.156 -6.139 2.775 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.245 -7.234 2.212 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.831 -4.920 2.902 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.919 -6.014 2.342 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.211 -4.857 2.686 1.00 0.00 C ATOM 0 H PHE A 64 -7.169 -9.175 0.099 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.856 -7.676 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.841 -9.448 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.455 -8.766 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.090 -6.186 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.793 -8.126 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.285 -4.027 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.985 -5.966 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.731 -3.915 2.785 1.00 0.00 H new ATOM 1020 N THR A 65 -4.667 -10.985 1.060 1.00 0.00 N ATOM 1021 CA THR A 65 -3.708 -12.082 1.092 1.00 0.00 C ATOM 1022 C THR A 65 -2.719 -11.926 -0.052 1.00 0.00 C ATOM 1023 O THR A 65 -1.519 -12.130 0.113 1.00 0.00 O ATOM 1024 CB THR A 65 -4.414 -13.434 0.954 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.507 -13.496 1.863 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.420 -14.556 1.262 1.00 0.00 C ATOM 0 H THR A 65 -5.647 -11.269 1.068 1.00 0.00 H new ATOM 0 HA THR A 65 -3.189 -12.052 2.050 1.00 0.00 H new ATOM 0 HB THR A 65 -4.788 -13.550 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.283 -13.043 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.918 -15.520 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.587 -14.506 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.046 -14.442 2.279 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.245 -11.571 -1.214 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.424 -11.393 -2.402 1.00 0.00 C ATOM 1036 C LEU A 66 -1.379 -10.311 -2.185 1.00 0.00 C ATOM 1037 O LEU A 66 -0.202 -10.513 -2.477 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.335 -10.992 -3.563 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.535 -10.744 -4.848 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.942 -12.060 -5.366 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.487 -10.163 -5.894 1.00 0.00 C ATOM 0 H LEU A 66 -4.240 -11.400 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.906 -12.327 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.070 -11.777 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.888 -10.091 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.716 -10.052 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.377 -11.870 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.280 -12.483 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.747 -12.763 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.941 -9.977 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.294 -10.871 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.905 -9.226 -5.525 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.809 -9.158 -1.700 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.881 -8.068 -1.486 1.00 0.00 C ATOM 1055 C ALA A 67 0.212 -8.502 -0.530 1.00 0.00 C ATOM 1056 O ALA A 67 1.377 -8.146 -0.695 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.608 -6.862 -0.910 1.00 0.00 C ATOM 0 H ALA A 67 -2.778 -8.957 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.439 -7.794 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.898 -6.050 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.383 -6.538 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.064 -7.133 0.042 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.173 -9.282 0.470 1.00 0.00 N ATOM 1064 CA PHE A 68 0.784 -9.761 1.451 1.00 0.00 C ATOM 1065 C PHE A 68 1.562 -10.964 0.917 1.00 0.00 C ATOM 1066 O PHE A 68 2.788 -10.987 0.979 1.00 0.00 O ATOM 1067 CB PHE A 68 0.059 -10.121 2.755 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.535 -8.867 3.389 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.304 -7.822 3.805 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.925 -8.753 3.572 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.243 -6.673 4.396 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.466 -7.605 4.165 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.626 -6.565 4.575 1.00 0.00 C ATOM 0 H PHE A 68 -1.133 -9.593 0.621 1.00 0.00 H new ATOM 0 HA PHE A 68 1.501 -8.965 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.731 -10.845 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.755 -10.594 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.373 -7.902 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.577 -9.553 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.406 -5.870 4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.534 -7.523 4.306 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.045 -5.679 5.029 1.00 0.00 H new ATOM 1083 N SER A 69 0.853 -11.957 0.393 1.00 0.00 N ATOM 1084 CA SER A 69 1.512 -13.144 -0.140 1.00 0.00 C ATOM 1085 C SER A 69 2.421 -12.779 -1.312 1.00 0.00 C ATOM 1086 O SER A 69 3.461 -13.409 -1.520 1.00 0.00 O ATOM 1087 CB SER A 69 0.478 -14.172 -0.602 1.00 0.00 C ATOM 1088 OG SER A 69 -0.253 -13.640 -1.697 1.00 0.00 O ATOM 0 H SER A 69 -0.165 -11.966 0.326 1.00 0.00 H new ATOM 0 HA SER A 69 2.116 -13.576 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.974 -15.097 -0.896 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.198 -14.418 0.217 1.00 0.00 H new ATOM 0 HG SER A 69 -0.749 -12.847 -1.405 1.00 0.00 H new ATOM 1094 N THR A 70 2.045 -11.741 -2.058 1.00 0.00 N ATOM 1095 CA THR A 70 2.871 -11.303 -3.175 1.00 0.00 C ATOM 1096 C THR A 70 4.087 -10.538 -2.667 1.00 0.00 C ATOM 1097 O THR A 70 5.217 -10.806 -3.076 1.00 0.00 O ATOM 1098 CB THR A 70 2.070 -10.420 -4.134 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.864 -11.077 -4.492 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.901 -10.155 -5.389 1.00 0.00 C ATOM 0 H THR A 70 1.193 -11.200 -1.912 1.00 0.00 H new ATOM 0 HA THR A 70 3.204 -12.190 -3.714 1.00 0.00 H new ATOM 0 HB THR A 70 1.833 -9.474 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.313 -11.207 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.334 -9.526 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.826 -9.648 -5.113 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.137 -11.101 -5.876 1.00 0.00 H new ATOM 1108 N ALA A 71 3.848 -9.583 -1.773 1.00 0.00 N ATOM 1109 CA ALA A 71 4.935 -8.786 -1.219 1.00 0.00 C ATOM 1110 C ALA A 71 5.887 -9.653 -0.403 1.00 0.00 C ATOM 1111 O ALA A 71 7.088 -9.388 -0.351 1.00 0.00 O ATOM 1112 CB ALA A 71 4.379 -7.668 -0.337 1.00 0.00 C ATOM 0 H ALA A 71 2.921 -9.345 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 71 5.487 -8.349 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.203 -7.081 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.733 -7.022 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.804 -8.102 0.481 1.00 0.00 H new ATOM 1118 N GLU A 72 5.350 -10.685 0.242 1.00 0.00 N ATOM 1119 CA GLU A 72 6.181 -11.567 1.051 1.00 0.00 C ATOM 1120 C GLU A 72 7.086 -12.415 0.164 1.00 0.00 C ATOM 1121 O GLU A 72 8.292 -12.485 0.374 1.00 0.00 O ATOM 1122 CB GLU A 72 5.299 -12.476 1.918 1.00 0.00 C ATOM 1123 CG GLU A 72 6.183 -13.329 2.838 1.00 0.00 C ATOM 1124 CD GLU A 72 5.315 -14.207 3.736 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.123 -14.280 3.488 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.857 -14.791 4.659 1.00 0.00 O ATOM 0 H GLU A 72 4.359 -10.928 0.221 1.00 0.00 H new ATOM 0 HA GLU A 72 6.806 -10.952 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.613 -11.873 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.689 -13.120 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.848 -13.952 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.815 -12.684 3.449 1.00 0.00 H new ATOM 1133 N LYS A 73 6.512 -13.083 -0.822 1.00 0.00 N ATOM 1134 CA LYS A 73 7.317 -13.928 -1.688 1.00 0.00 C ATOM 1135 C LYS A 73 8.401 -13.110 -2.391 1.00 0.00 C ATOM 1136 O LYS A 73 9.524 -13.581 -2.571 1.00 0.00 O ATOM 1137 CB LYS A 73 6.418 -14.612 -2.728 1.00 0.00 C ATOM 1138 CG LYS A 73 7.107 -15.867 -3.300 1.00 0.00 C ATOM 1139 CD LYS A 73 6.153 -16.616 -4.249 1.00 0.00 C ATOM 1140 CE LYS A 73 5.129 -17.419 -3.441 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.424 -18.370 -4.341 1.00 0.00 N ATOM 0 H LYS A 73 5.516 -13.059 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 73 7.804 -14.687 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.468 -14.889 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.191 -13.915 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.012 -15.581 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.412 -16.525 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.640 -15.905 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.722 -17.284 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.628 -17.963 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.412 -16.746 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.728 -18.916 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.936 -17.841 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.114 -19.020 -4.769 1.00 0.00 H new ATOM 1155 N LEU A 74 8.049 -11.894 -2.802 1.00 0.00 N ATOM 1156 CA LEU A 74 8.985 -11.031 -3.511 1.00 0.00 C ATOM 1157 C LEU A 74 10.006 -10.369 -2.577 1.00 0.00 C ATOM 1158 O LEU A 74 11.198 -10.377 -2.877 1.00 0.00 O ATOM 1159 CB LEU A 74 8.206 -9.944 -4.258 1.00 0.00 C ATOM 1160 CG LEU A 74 7.320 -10.574 -5.347 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.371 -9.511 -5.911 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.193 -11.137 -6.491 1.00 0.00 C ATOM 0 H LEU A 74 7.125 -11.487 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 74 9.541 -11.660 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.588 -9.383 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.900 -9.235 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 74 6.745 -11.388 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.743 -9.956 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.742 -9.123 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.952 -8.696 -6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.552 -11.579 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.779 -10.331 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.865 -11.899 -6.095 1.00 0.00 H new ATOM 1174 N ALA A 75 9.548 -9.763 -1.475 1.00 0.00 N ATOM 1175 CA ALA A 75 10.474 -9.066 -0.562 1.00 0.00 C ATOM 1176 C ALA A 75 10.406 -9.589 0.869 1.00 0.00 C ATOM 1177 O ALA A 75 11.016 -9.006 1.762 1.00 0.00 O ATOM 1178 CB ALA A 75 10.153 -7.572 -0.568 1.00 0.00 C ATOM 0 H ALA A 75 8.568 -9.738 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 75 11.485 -9.252 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.834 -7.051 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.269 -7.179 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.126 -7.419 -0.235 1.00 0.00 H new ATOM 1184 N ASP A 76 9.692 -10.686 1.101 1.00 0.00 N ATOM 1185 CA ASP A 76 9.613 -11.229 2.454 1.00 0.00 C ATOM 1186 C ASP A 76 9.304 -10.113 3.448 1.00 0.00 C ATOM 1187 O ASP A 76 9.869 -10.059 4.540 1.00 0.00 O ATOM 1188 CB ASP A 76 10.941 -11.893 2.804 1.00 0.00 C ATOM 1189 CG ASP A 76 11.103 -13.189 2.014 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.118 -13.652 1.461 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.210 -13.701 1.974 1.00 0.00 O ATOM 0 H ASP A 76 9.173 -11.205 0.393 1.00 0.00 H new ATOM 0 HA ASP A 76 8.814 -11.968 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.765 -11.216 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.982 -12.102 3.873 1.00 0.00 H new ATOM 1196 N CYS A 77 8.416 -9.217 3.033 1.00 0.00 N ATOM 1197 CA CYS A 77 8.016 -8.069 3.844 1.00 0.00 C ATOM 1198 C CYS A 77 7.667 -8.462 5.284 1.00 0.00 C ATOM 1199 O CYS A 77 7.907 -9.588 5.722 1.00 0.00 O ATOM 1200 CB CYS A 77 6.807 -7.395 3.194 1.00 0.00 C ATOM 1201 SG CYS A 77 7.219 -6.929 1.496 1.00 0.00 S ATOM 0 H CYS A 77 7.952 -9.264 2.126 1.00 0.00 H new ATOM 0 HA CYS A 77 8.863 -7.385 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 77 5.953 -8.072 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.518 -6.513 3.765 1.00 0.00 H new ATOM 0 HG CYS A 77 7.348 -8.000 0.771 1.00 0.00 H new ATOM 1207 N ALA A 78 7.082 -7.504 6.002 1.00 0.00 N ATOM 1208 CA ALA A 78 6.675 -7.710 7.390 1.00 0.00 C ATOM 1209 C ALA A 78 5.304 -8.381 7.447 1.00 0.00 C ATOM 1210 O ALA A 78 4.632 -8.520 6.427 1.00 0.00 O ATOM 1211 CB ALA A 78 6.623 -6.358 8.117 1.00 0.00 C ATOM 0 H ALA A 78 6.879 -6.572 5.642 1.00 0.00 H new ATOM 0 HA ALA A 78 7.402 -8.358 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.319 -6.513 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.609 -5.894 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.904 -5.706 7.622 1.00 0.00 H new ATOM 1217 N GLN A 79 4.896 -8.797 8.647 1.00 0.00 N ATOM 1218 CA GLN A 79 3.599 -9.454 8.837 1.00 0.00 C ATOM 1219 C GLN A 79 2.808 -8.742 9.928 1.00 0.00 C ATOM 1220 O GLN A 79 2.101 -9.376 10.709 1.00 0.00 O ATOM 1221 CB GLN A 79 3.826 -10.912 9.244 1.00 0.00 C ATOM 1222 CG GLN A 79 4.443 -11.672 8.072 1.00 0.00 C ATOM 1223 CD GLN A 79 4.752 -13.109 8.481 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.575 -13.339 9.368 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.141 -14.094 7.885 1.00 0.00 N ATOM 0 H GLN A 79 5.443 -8.692 9.501 1.00 0.00 H new ATOM 0 HA GLN A 79 3.037 -9.413 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.484 -10.961 10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.881 -11.372 9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.758 -11.667 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.356 -11.174 7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.460 -13.902 7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.344 -15.057 8.153 1.00 0.00 H new ATOM 1234 N LEU A 80 2.958 -7.427 9.988 1.00 0.00 N ATOM 1235 CA LEU A 80 2.280 -6.627 11.006 1.00 0.00 C ATOM 1236 C LEU A 80 0.759 -6.628 10.796 1.00 0.00 C ATOM 1237 O LEU A 80 0.000 -6.433 11.745 1.00 0.00 O ATOM 1238 CB LEU A 80 2.770 -5.174 10.971 1.00 0.00 C ATOM 1239 CG LEU A 80 4.291 -5.107 10.827 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.719 -3.643 10.831 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.974 -5.827 11.982 1.00 0.00 C ATOM 0 H LEU A 80 3.541 -6.889 9.347 1.00 0.00 H new ATOM 0 HA LEU A 80 2.514 -7.077 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.300 -4.649 10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.466 -4.663 11.884 1.00 0.00 H new ATOM 0 HG LEU A 80 4.581 -5.590 9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.802 -3.580 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.245 -3.123 9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.415 -3.178 11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.055 -5.767 11.860 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.689 -5.357 12.923 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.667 -6.873 11.991 1.00 0.00 H new ATOM 1253 N LEU A 81 0.313 -6.822 9.546 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.137 -6.809 9.235 1.00 0.00 C ATOM 1255 C LEU A 81 -1.655 -8.196 8.850 1.00 0.00 C ATOM 1256 O LEU A 81 -0.955 -8.987 8.218 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.429 -5.853 8.061 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.581 -4.590 8.184 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.881 -3.651 7.015 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.921 -3.880 9.488 1.00 0.00 C ATOM 0 H LEU A 81 0.918 -6.988 8.742 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.644 -6.476 10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.216 -6.352 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.487 -5.590 8.052 1.00 0.00 H new ATOM 0 HG LEU A 81 0.474 -4.863 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.274 -2.751 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.647 -4.153 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.937 -3.380 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.317 -2.977 9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.977 -3.612 9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.712 -4.542 10.328 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.907 -8.462 9.232 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.565 -9.733 8.929 1.00 0.00 C ATOM 1274 C GLU A 82 -4.766 -9.503 8.020 1.00 0.00 C ATOM 1275 O GLU A 82 -5.548 -8.579 8.230 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.015 -10.400 10.225 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.779 -10.775 11.045 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.030 -11.917 10.368 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.569 -12.483 9.430 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.932 -12.219 10.805 1.00 0.00 O ATOM 0 H GLU A 82 -3.488 -7.807 9.756 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.857 -10.384 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.654 -9.725 10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.606 -11.289 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.124 -9.910 11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.076 -11.070 12.051 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.890 -10.348 7.009 1.00 0.00 N ATOM 1288 CA VAL A 83 -5.973 -10.242 6.044 1.00 0.00 C ATOM 1289 C VAL A 83 -7.334 -10.175 6.734 1.00 0.00 C ATOM 1290 O VAL A 83 -8.135 -9.274 6.470 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.914 -11.480 5.142 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.140 -11.514 4.198 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.594 -11.476 4.341 1.00 0.00 C ATOM 0 H VAL A 83 -4.248 -11.121 6.835 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.855 -9.325 5.467 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.942 -12.379 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.086 -12.398 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.054 -11.548 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.144 -10.620 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.554 -12.357 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.544 -10.578 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.750 -11.490 5.031 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.598 -11.146 7.588 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.874 -11.213 8.286 1.00 0.00 C ATOM 1305 C ASP A 84 -9.160 -9.913 9.027 1.00 0.00 C ATOM 1306 O ASP A 84 -10.273 -9.391 8.971 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.845 -12.373 9.281 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.866 -13.698 8.529 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.220 -13.687 7.361 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.528 -14.702 9.132 1.00 0.00 O ATOM 0 H ASP A 84 -6.949 -11.899 7.817 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.664 -11.370 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.951 -12.310 9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.702 -12.311 9.951 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.157 -9.393 9.723 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.325 -8.154 10.470 1.00 0.00 C ATOM 1317 C ASP A 85 -8.690 -7.021 9.526 1.00 0.00 C ATOM 1318 O ASP A 85 -9.610 -6.250 9.791 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.025 -7.814 11.196 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.802 -8.780 12.354 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.736 -9.484 12.698 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.700 -8.804 12.878 1.00 0.00 O ATOM 0 H ASP A 85 -7.226 -9.806 9.786 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.127 -8.284 11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.187 -7.868 10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.065 -6.791 11.569 1.00 0.00 H new ATOM 1327 N MET A 86 -7.977 -6.940 8.409 1.00 0.00 N ATOM 1328 CA MET A 86 -8.253 -5.906 7.425 1.00 0.00 C ATOM 1329 C MET A 86 -9.665 -6.067 6.886 1.00 0.00 C ATOM 1330 O MET A 86 -10.426 -5.103 6.785 1.00 0.00 O ATOM 1331 CB MET A 86 -7.260 -6.031 6.268 1.00 0.00 C ATOM 1332 CG MET A 86 -5.828 -5.719 6.745 1.00 0.00 C ATOM 1333 SD MET A 86 -4.902 -4.948 5.396 1.00 0.00 S ATOM 1334 CE MET A 86 -5.394 -3.240 5.740 1.00 0.00 C ATOM 0 H MET A 86 -7.213 -7.570 8.166 1.00 0.00 H new ATOM 0 HA MET A 86 -8.155 -4.928 7.897 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.300 -7.039 5.855 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.539 -5.347 5.467 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.857 -5.054 7.608 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.331 -6.635 7.065 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.428 -2.676 4.808 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.380 -3.232 6.205 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.671 -2.782 6.415 1.00 0.00 H new ATOM 1344 N VAL A 87 -9.997 -7.301 6.564 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.315 -7.634 6.049 1.00 0.00 C ATOM 1346 C VAL A 87 -12.381 -7.440 7.121 1.00 0.00 C ATOM 1347 O VAL A 87 -13.464 -6.922 6.845 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.312 -9.084 5.561 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.733 -9.508 5.172 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.382 -9.204 4.347 1.00 0.00 C ATOM 0 H VAL A 87 -9.367 -8.099 6.650 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.550 -6.969 5.218 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.957 -9.736 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.722 -10.541 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.388 -9.423 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.100 -8.862 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.375 -10.235 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.737 -8.550 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.371 -8.912 4.632 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.075 -7.864 8.345 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.010 -7.738 9.448 1.00 0.00 C ATOM 1362 C ARG A 88 -13.168 -6.287 9.887 1.00 0.00 C ATOM 1363 O ARG A 88 -14.284 -5.802 10.066 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.493 -8.586 10.619 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.335 -8.323 11.861 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.985 -9.330 12.954 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.631 -9.092 13.439 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.039 -9.945 14.270 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.114 -11.229 14.050 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.384 -9.499 15.305 1.00 0.00 N ATOM 0 H ARG A 88 -11.185 -8.297 8.593 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.990 -8.088 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.533 -9.644 10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.449 -8.347 10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.160 -7.309 12.220 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.394 -8.396 11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.695 -9.246 13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.067 -10.345 12.564 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.129 -8.257 13.136 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.627 -11.579 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.660 -11.883 14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.325 -8.495 15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.930 -10.154 15.942 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.046 -5.610 10.082 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.084 -4.227 10.519 1.00 0.00 C ATOM 1386 C LEU A 89 -12.664 -3.343 9.423 1.00 0.00 C ATOM 1387 O LEU A 89 -13.532 -2.505 9.676 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.660 -3.756 10.851 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.117 -4.502 12.083 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.620 -4.198 12.244 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.864 -4.057 13.355 1.00 0.00 C ATOM 0 H LEU A 89 -11.110 -5.992 9.946 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.714 -4.154 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.005 -3.929 9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.661 -2.683 11.040 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.268 -5.572 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.233 -4.725 13.116 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.084 -4.527 11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.479 -3.125 12.377 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.468 -4.594 14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.727 -2.986 13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.926 -4.276 13.248 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.137 -3.509 8.218 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.562 -2.686 7.094 1.00 0.00 C ATOM 1405 C ALA A 90 -12.340 -1.232 7.486 1.00 0.00 C ATOM 1406 O ALA A 90 -13.044 -0.327 7.041 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.042 -2.933 6.768 1.00 0.00 C ATOM 0 H ALA A 90 -11.421 -4.200 7.994 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.988 -2.936 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.338 -2.308 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.188 -3.982 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.652 -2.684 7.636 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.326 -1.057 8.335 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.933 0.251 8.850 1.00 0.00 C ATOM 1415 C VAL A 91 -9.516 0.178 9.438 1.00 0.00 C ATOM 1416 O VAL A 91 -9.333 0.409 10.630 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.911 0.696 9.958 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.390 1.991 10.639 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.301 0.966 9.362 1.00 0.00 C ATOM 0 H VAL A 91 -10.753 -1.824 8.685 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.955 0.969 8.030 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.982 -0.102 10.697 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.087 2.297 11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.411 1.802 11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.306 2.784 9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.982 1.279 10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.229 1.754 8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.680 0.056 8.896 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.518 -0.148 8.646 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.118 -0.240 9.143 1.00 0.00 C ATOM 1431 C PRO A 92 -6.760 0.963 10.014 1.00 0.00 C ATOM 1432 O PRO A 92 -7.591 1.836 10.266 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.246 -0.295 7.867 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.194 -0.215 6.696 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.607 -0.481 7.221 1.00 0.00 C ATOM 0 HA PRO A 92 -6.965 -1.114 9.776 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.535 0.531 7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.665 -1.217 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.139 0.767 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.925 -0.948 5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.346 0.137 6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.901 -1.520 7.070 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.511 1.005 10.456 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.036 2.108 11.293 1.00 0.00 C ATOM 1445 C ASP A 93 -3.869 2.822 10.621 1.00 0.00 C ATOM 1446 O ASP A 93 -2.931 2.197 10.136 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.620 1.575 12.666 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.549 2.725 13.667 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.455 3.857 13.224 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.593 2.457 14.856 1.00 0.00 O ATOM 0 H ASP A 93 -4.808 0.294 10.253 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.845 2.827 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.335 0.827 13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.651 1.081 12.596 1.00 0.00 H new ATOM 1455 N SER A 94 -3.955 4.141 10.578 1.00 0.00 N ATOM 1456 CA SER A 94 -2.923 4.954 9.941 1.00 0.00 C ATOM 1457 C SER A 94 -1.536 4.503 10.363 1.00 0.00 C ATOM 1458 O SER A 94 -0.584 4.567 9.584 1.00 0.00 O ATOM 1459 CB SER A 94 -3.113 6.421 10.323 1.00 0.00 C ATOM 1460 OG SER A 94 -4.416 6.840 9.946 1.00 0.00 O ATOM 0 H SER A 94 -4.728 4.675 10.976 1.00 0.00 H new ATOM 0 HA SER A 94 -3.015 4.835 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.974 6.550 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.363 7.038 9.828 1.00 0.00 H new ATOM 0 HG SER A 94 -4.541 7.780 10.192 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.428 4.029 11.593 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.153 3.557 12.103 1.00 0.00 C ATOM 1468 C LYS A 95 0.135 2.154 11.590 1.00 0.00 C ATOM 1469 O LYS A 95 1.290 1.763 11.459 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.172 3.544 13.629 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.088 2.427 14.131 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.423 2.656 15.608 1.00 0.00 C ATOM 1473 CE LYS A 95 -0.151 2.557 16.456 1.00 0.00 C ATOM 1474 NZ LYS A 95 0.596 1.323 16.091 1.00 0.00 N ATOM 0 H LYS A 95 -2.203 3.961 12.253 1.00 0.00 H new ATOM 0 HA LYS A 95 0.629 4.232 11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.838 3.397 14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.519 4.507 14.005 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.004 2.402 13.540 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.601 1.460 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.881 3.637 15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.151 1.917 15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.475 3.435 16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.408 2.539 17.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.173 1.015 16.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.077 0.571 15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.215 1.519 15.279 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.924 1.405 11.310 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.772 0.043 10.813 1.00 0.00 C ATOM 1490 C CYS A 96 -0.277 0.052 9.368 1.00 0.00 C ATOM 1491 O CYS A 96 0.577 -0.745 8.976 1.00 0.00 O ATOM 1492 CB CYS A 96 -2.111 -0.703 10.898 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.327 -1.372 12.565 1.00 0.00 S ATOM 0 H CYS A 96 -1.890 1.714 11.417 1.00 0.00 H new ATOM 0 HA CYS A 96 -0.036 -0.469 11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.932 -0.027 10.657 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.137 -1.509 10.165 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.462 -2.001 12.636 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.833 0.957 8.580 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.452 1.080 7.187 1.00 0.00 C ATOM 1501 C VAL A 97 0.882 1.790 7.099 1.00 0.00 C ATOM 1502 O VAL A 97 1.758 1.414 6.324 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.498 1.894 6.424 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.095 2.008 4.952 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.863 1.213 6.532 1.00 0.00 C ATOM 0 H VAL A 97 -1.550 1.616 8.883 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.381 0.085 6.748 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.558 2.892 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.844 2.589 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.128 2.505 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.026 1.012 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.605 1.797 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.805 0.211 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.154 1.145 7.580 1.00 0.00 H new ATOM 1515 N TYR A 98 1.014 2.835 7.895 1.00 0.00 N ATOM 1516 CA TYR A 98 2.230 3.621 7.899 1.00 0.00 C ATOM 1517 C TYR A 98 3.411 2.773 8.327 1.00 0.00 C ATOM 1518 O TYR A 98 4.428 2.714 7.637 1.00 0.00 O ATOM 1519 CB TYR A 98 2.072 4.795 8.868 1.00 0.00 C ATOM 1520 CG TYR A 98 3.390 5.517 9.022 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.360 5.012 9.896 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.642 6.680 8.290 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.586 5.670 10.034 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.871 7.340 8.433 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.841 6.834 9.304 1.00 0.00 C ATOM 1526 OH TYR A 98 7.054 7.477 9.436 1.00 0.00 O ATOM 0 H TYR A 98 0.296 3.157 8.544 1.00 0.00 H new ATOM 0 HA TYR A 98 2.411 3.992 6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.312 5.483 8.498 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.730 4.434 9.838 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.161 4.115 10.463 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.893 7.069 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.336 5.278 10.705 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.069 8.240 7.870 1.00 0.00 H new ATOM 0 HH TYR A 98 7.069 8.269 8.859 1.00 0.00 H new ATOM 1536 N THR A 99 3.267 2.119 9.468 1.00 0.00 N ATOM 1537 CA THR A 99 4.335 1.284 9.984 1.00 0.00 C ATOM 1538 C THR A 99 4.679 0.190 8.985 1.00 0.00 C ATOM 1539 O THR A 99 5.851 -0.097 8.746 1.00 0.00 O ATOM 1540 CB THR A 99 3.919 0.660 11.320 1.00 0.00 C ATOM 1541 OG1 THR A 99 5.039 0.011 11.903 1.00 0.00 O ATOM 1542 CG2 THR A 99 2.801 -0.356 11.089 1.00 0.00 C ATOM 0 H THR A 99 2.429 2.150 10.049 1.00 0.00 H new ATOM 0 HA THR A 99 5.216 1.905 10.143 1.00 0.00 H new ATOM 0 HB THR A 99 3.559 1.441 11.990 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.777 -0.388 12.759 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.508 -0.797 12.042 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.942 0.144 10.641 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.154 -1.140 10.419 1.00 0.00 H new ATOM 1550 N TYR A 100 3.651 -0.409 8.389 1.00 0.00 N ATOM 1551 CA TYR A 100 3.856 -1.455 7.402 1.00 0.00 C ATOM 1552 C TYR A 100 4.608 -0.899 6.199 1.00 0.00 C ATOM 1553 O TYR A 100 5.615 -1.452 5.759 1.00 0.00 O ATOM 1554 CB TYR A 100 2.494 -1.949 6.933 1.00 0.00 C ATOM 1555 CG TYR A 100 2.686 -3.070 5.951 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.814 -2.792 4.588 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.732 -4.392 6.404 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.986 -3.838 3.673 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.904 -5.439 5.493 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.031 -5.163 4.126 1.00 0.00 C ATOM 1561 OH TYR A 100 3.201 -6.196 3.227 1.00 0.00 O ATOM 0 H TYR A 100 2.673 -0.186 8.574 1.00 0.00 H new ATOM 0 HA TYR A 100 4.433 -2.265 7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.905 -2.292 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.938 -1.134 6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.780 -1.770 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.635 -4.605 7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.084 -3.624 2.619 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.939 -6.460 5.844 1.00 0.00 H new ATOM 0 HH TYR A 100 3.211 -7.050 3.708 1.00 0.00 H new ATOM 1571 N ILE A 101 4.093 0.214 5.682 1.00 0.00 N ATOM 1572 CA ILE A 101 4.691 0.879 4.534 1.00 0.00 C ATOM 1573 C ILE A 101 6.116 1.286 4.882 1.00 0.00 C ATOM 1574 O ILE A 101 7.015 1.225 4.047 1.00 0.00 O ATOM 1575 CB ILE A 101 3.856 2.122 4.157 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.482 1.693 3.588 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.608 2.974 3.130 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.571 1.327 2.095 1.00 0.00 C ATOM 0 H ILE A 101 3.258 0.674 6.045 1.00 0.00 H new ATOM 0 HA ILE A 101 4.708 0.200 3.681 1.00 0.00 H new ATOM 0 HB ILE A 101 3.693 2.717 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.107 0.838 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.764 2.502 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.008 3.847 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.559 3.298 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.793 2.383 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.586 1.031 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.921 2.190 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.269 0.500 1.964 1.00 0.00 H new ATOM 1590 N GLN A 102 6.301 1.710 6.129 1.00 0.00 N ATOM 1591 CA GLN A 102 7.612 2.133 6.608 1.00 0.00 C ATOM 1592 C GLN A 102 8.651 1.054 6.352 1.00 0.00 C ATOM 1593 O GLN A 102 9.653 1.281 5.673 1.00 0.00 O ATOM 1594 CB GLN A 102 7.547 2.397 8.113 1.00 0.00 C ATOM 1595 CG GLN A 102 8.765 3.213 8.539 1.00 0.00 C ATOM 1596 CD GLN A 102 8.738 3.454 10.044 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.634 3.255 10.710 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 9.751 3.835 10.630 1.00 0.00 N flip ATOM 0 H GLN A 102 5.559 1.770 6.826 1.00 0.00 H new ATOM 0 HA GLN A 102 7.895 3.040 6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.631 2.934 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.519 1.453 8.658 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.679 2.686 8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.776 4.166 8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.614 3.990 10.109 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.728 3.995 11.637 1.00 0.00 H new ATOM 1607 N GLU A 103 8.412 -0.121 6.920 1.00 0.00 N ATOM 1608 CA GLU A 103 9.345 -1.222 6.758 1.00 0.00 C ATOM 1609 C GLU A 103 9.493 -1.549 5.279 1.00 0.00 C ATOM 1610 O GLU A 103 10.603 -1.712 4.768 1.00 0.00 O ATOM 1611 CB GLU A 103 8.837 -2.446 7.523 1.00 0.00 C ATOM 1612 CG GLU A 103 9.926 -3.520 7.557 1.00 0.00 C ATOM 1613 CD GLU A 103 11.018 -3.125 8.546 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.809 -2.177 9.284 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.053 -3.772 8.545 1.00 0.00 O ATOM 0 H GLU A 103 7.592 -0.332 7.488 1.00 0.00 H new ATOM 0 HA GLU A 103 10.318 -0.937 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.560 -2.163 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.940 -2.839 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.494 -4.479 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.354 -3.648 6.562 1.00 0.00 H new ATOM 1622 N LEU A 104 8.363 -1.645 4.595 1.00 0.00 N ATOM 1623 CA LEU A 104 8.352 -1.955 3.175 1.00 0.00 C ATOM 1624 C LEU A 104 9.086 -0.883 2.385 1.00 0.00 C ATOM 1625 O LEU A 104 9.877 -1.183 1.497 1.00 0.00 O ATOM 1626 CB LEU A 104 6.899 -1.990 2.716 1.00 0.00 C ATOM 1627 CG LEU A 104 6.783 -2.477 1.262 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.883 -4.007 1.202 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.428 -2.032 0.697 1.00 0.00 C ATOM 0 H LEU A 104 7.438 -1.512 5.004 1.00 0.00 H new ATOM 0 HA LEU A 104 8.847 -2.912 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.325 -2.648 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.464 -0.995 2.804 1.00 0.00 H new ATOM 0 HG LEU A 104 7.595 -2.050 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.799 -4.337 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.843 -4.325 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.077 -4.448 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.334 -2.372 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.625 -2.463 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.360 -0.945 0.728 1.00 0.00 H new ATOM 1641 N TYR A 105 8.813 0.368 2.718 1.00 0.00 N ATOM 1642 CA TYR A 105 9.437 1.490 2.032 1.00 0.00 C ATOM 1643 C TYR A 105 10.938 1.333 2.062 1.00 0.00 C ATOM 1644 O TYR A 105 11.621 1.491 1.051 1.00 0.00 O ATOM 1645 CB TYR A 105 9.056 2.779 2.761 1.00 0.00 C ATOM 1646 CG TYR A 105 9.758 3.955 2.129 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.289 4.481 0.924 1.00 0.00 C ATOM 1648 CD2 TYR A 105 10.878 4.521 2.755 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.934 5.575 0.340 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.524 5.614 2.171 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.053 6.142 0.964 1.00 0.00 C ATOM 1652 OH TYR A 105 11.687 7.221 0.387 1.00 0.00 O ATOM 0 H TYR A 105 8.164 0.633 3.459 1.00 0.00 H new ATOM 0 HA TYR A 105 9.098 1.524 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.977 2.924 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.328 2.705 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.427 4.042 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.241 4.113 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.570 5.983 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.387 6.051 2.651 1.00 0.00 H new ATOM 0 HH TYR A 105 12.444 7.494 0.947 1.00 0.00 H new ATOM 1662 N ARG A 106 11.438 1.049 3.243 1.00 0.00 N ATOM 1663 CA ARG A 106 12.865 0.896 3.443 1.00 0.00 C ATOM 1664 C ARG A 106 13.413 -0.245 2.599 1.00 0.00 C ATOM 1665 O ARG A 106 14.496 -0.129 2.037 1.00 0.00 O ATOM 1666 CB ARG A 106 13.124 0.668 4.925 1.00 0.00 C ATOM 1667 CG ARG A 106 12.823 1.972 5.670 1.00 0.00 C ATOM 1668 CD ARG A 106 13.014 1.772 7.170 1.00 0.00 C ATOM 1669 NE ARG A 106 12.000 0.867 7.687 1.00 0.00 N ATOM 1670 CZ ARG A 106 12.040 0.442 8.942 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.955 -0.412 9.310 1.00 0.00 N ATOM 1672 NH2 ARG A 106 11.167 0.881 9.808 1.00 0.00 N ATOM 0 H ARG A 106 10.877 0.918 4.084 1.00 0.00 H new ATOM 0 HA ARG A 106 13.382 1.800 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.495 -0.139 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.159 0.367 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.481 2.764 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.801 2.290 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.007 1.369 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.952 2.731 7.683 1.00 0.00 H new ATOM 0 HE ARG A 106 11.246 0.554 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.638 -0.751 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.988 -0.740 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.454 1.551 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.198 0.554 10.774 1.00 0.00 H new ATOM 1686 N SER A 107 12.658 -1.330 2.487 1.00 0.00 N ATOM 1687 CA SER A 107 13.103 -2.456 1.672 1.00 0.00 C ATOM 1688 C SER A 107 13.317 -1.993 0.227 1.00 0.00 C ATOM 1689 O SER A 107 14.274 -2.391 -0.430 1.00 0.00 O ATOM 1690 CB SER A 107 12.075 -3.585 1.709 1.00 0.00 C ATOM 1691 OG SER A 107 12.343 -4.497 0.653 1.00 0.00 O ATOM 0 H SER A 107 11.752 -1.456 2.939 1.00 0.00 H new ATOM 0 HA SER A 107 14.043 -2.831 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.117 -4.099 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.068 -3.179 1.608 1.00 0.00 H new ATOM 0 HG SER A 107 11.540 -5.027 0.467 1.00 0.00 H new ATOM 1697 N LEU A 108 12.412 -1.145 -0.262 1.00 0.00 N ATOM 1698 CA LEU A 108 12.514 -0.624 -1.621 1.00 0.00 C ATOM 1699 C LEU A 108 13.716 0.303 -1.764 1.00 0.00 C ATOM 1700 O LEU A 108 14.371 0.332 -2.808 1.00 0.00 O ATOM 1701 CB LEU A 108 11.261 0.178 -1.989 1.00 0.00 C ATOM 1702 CG LEU A 108 9.994 -0.648 -1.767 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.768 0.240 -2.014 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.962 -1.838 -2.733 1.00 0.00 C ATOM 0 H LEU A 108 11.604 -0.807 0.261 1.00 0.00 H new ATOM 0 HA LEU A 108 12.624 -1.482 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.217 1.086 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.318 0.489 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 108 9.985 -1.023 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.860 -0.342 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.783 1.082 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.789 0.612 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.055 -2.419 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.975 -1.473 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.834 -2.469 -2.562 1.00 0.00 H new ATOM 1716 N VAL A 109 13.975 1.095 -0.730 1.00 0.00 N ATOM 1717 CA VAL A 109 15.068 2.051 -0.776 1.00 0.00 C ATOM 1718 C VAL A 109 16.405 1.341 -0.926 1.00 0.00 C ATOM 1719 O VAL A 109 17.205 1.692 -1.794 1.00 0.00 O ATOM 1720 CB VAL A 109 15.054 2.903 0.496 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.317 3.763 0.563 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.826 3.816 0.477 1.00 0.00 C ATOM 0 H VAL A 109 13.446 1.093 0.142 1.00 0.00 H new ATOM 0 HA VAL A 109 14.935 2.697 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 109 15.019 2.247 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.299 4.366 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.196 3.118 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.357 4.418 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.811 4.425 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.869 4.465 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.922 3.209 0.434 1.00 0.00 H new ATOM 1732 N GLN A 110 16.637 0.333 -0.094 1.00 0.00 N ATOM 1733 CA GLN A 110 17.879 -0.414 -0.171 1.00 0.00 C ATOM 1734 C GLN A 110 17.953 -1.128 -1.511 1.00 0.00 C ATOM 1735 O GLN A 110 18.996 -1.135 -2.167 1.00 0.00 O ATOM 1736 CB GLN A 110 17.970 -1.435 0.970 1.00 0.00 C ATOM 1737 CG GLN A 110 16.703 -2.303 1.020 1.00 0.00 C ATOM 1738 CD GLN A 110 16.689 -3.175 2.275 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.209 -4.291 2.263 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.109 -2.737 3.361 1.00 0.00 N ATOM 0 H GLN A 110 15.990 0.020 0.630 1.00 0.00 H new ATOM 0 HA GLN A 110 18.715 0.280 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.846 -2.068 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.100 -0.917 1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.819 -1.665 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.655 -2.934 0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.678 -1.813 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.087 -3.320 4.198 1.00 0.00 H new ATOM 1749 N LYS A 111 16.836 -1.725 -1.901 1.00 0.00 N ATOM 1750 CA LYS A 111 16.770 -2.447 -3.158 1.00 0.00 C ATOM 1751 C LYS A 111 17.032 -1.502 -4.328 1.00 0.00 C ATOM 1752 O LYS A 111 17.465 -1.928 -5.397 1.00 0.00 O ATOM 1753 CB LYS A 111 15.391 -3.122 -3.310 1.00 0.00 C ATOM 1754 CG LYS A 111 15.473 -4.297 -4.312 1.00 0.00 C ATOM 1755 CD LYS A 111 14.378 -5.336 -3.995 1.00 0.00 C ATOM 1756 CE LYS A 111 14.900 -6.337 -2.957 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.811 -7.281 -2.580 1.00 0.00 N ATOM 0 H LYS A 111 15.968 -1.723 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 111 17.539 -3.219 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.048 -3.485 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.658 -2.393 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.351 -3.927 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.456 -4.764 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.487 -4.835 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.086 -5.860 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.748 -6.888 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.257 -5.807 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.167 -7.959 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.014 -6.748 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.490 -7.796 -3.425 1.00 0.00 H new ATOM 1771 N GLY A 112 16.745 -0.218 -4.122 1.00 0.00 N ATOM 1772 CA GLY A 112 16.941 0.780 -5.172 1.00 0.00 C ATOM 1773 C GLY A 112 15.725 0.816 -6.084 1.00 0.00 C ATOM 1774 O GLY A 112 15.783 1.298 -7.215 1.00 0.00 O ATOM 0 H GLY A 112 16.379 0.154 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.102 1.762 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.834 0.542 -5.750 1.00 0.00 H new ATOM 1778 N LEU A 113 14.630 0.306 -5.552 1.00 0.00 N ATOM 1779 CA LEU A 113 13.359 0.267 -6.259 1.00 0.00 C ATOM 1780 C LEU A 113 12.702 1.648 -6.279 1.00 0.00 C ATOM 1781 O LEU A 113 12.077 2.039 -7.263 1.00 0.00 O ATOM 1782 CB LEU A 113 12.441 -0.745 -5.561 1.00 0.00 C ATOM 1783 CG LEU A 113 12.715 -2.169 -6.070 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.979 -3.171 -5.176 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.228 -2.322 -7.530 1.00 0.00 C ATOM 0 H LEU A 113 14.595 -0.095 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 113 13.531 -0.034 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.598 -0.702 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.399 -0.483 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 113 13.788 -2.360 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.169 -4.184 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.335 -3.074 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.908 -2.970 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.429 -3.336 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.157 -2.128 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.755 -1.610 -8.166 1.00 0.00 H new ATOM 1797 N VAL A 114 12.822 2.368 -5.167 1.00 0.00 N ATOM 1798 CA VAL A 114 12.213 3.692 -5.053 1.00 0.00 C ATOM 1799 C VAL A 114 12.870 4.697 -6.004 1.00 0.00 C ATOM 1800 O VAL A 114 12.210 5.611 -6.504 1.00 0.00 O ATOM 1801 CB VAL A 114 12.282 4.168 -3.575 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.332 5.704 -3.491 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.041 3.664 -2.807 1.00 0.00 C ATOM 0 H VAL A 114 13.331 2.061 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 114 11.166 3.625 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 114 13.190 3.761 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.380 6.010 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.215 6.069 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.437 6.123 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.093 4.000 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.139 4.061 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.014 2.575 -2.834 1.00 0.00 H new ATOM 1813 N LYS A 115 14.157 4.524 -6.248 1.00 0.00 N ATOM 1814 CA LYS A 115 14.893 5.418 -7.144 1.00 0.00 C ATOM 1815 C LYS A 115 14.696 5.005 -8.601 1.00 0.00 C ATOM 1816 O LYS A 115 15.657 4.883 -9.362 1.00 0.00 O ATOM 1817 CB LYS A 115 16.386 5.403 -6.791 1.00 0.00 C ATOM 1818 CG LYS A 115 16.912 3.967 -6.840 1.00 0.00 C ATOM 1819 CD LYS A 115 18.365 3.912 -6.345 1.00 0.00 C ATOM 1820 CE LYS A 115 19.303 4.564 -7.368 1.00 0.00 C ATOM 1821 NZ LYS A 115 20.717 4.220 -7.042 1.00 0.00 N ATOM 0 H LYS A 115 14.719 3.776 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 115 14.506 6.429 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.941 6.028 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.539 5.823 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.286 3.322 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.854 3.586 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.449 4.424 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.661 2.876 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.057 4.220 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.170 5.646 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.351 4.663 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.949 4.569 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.839 3.188 -7.071 1.00 0.00 H new ATOM 1835 N THR A 116 13.440 4.796 -8.983 1.00 0.00 N ATOM 1836 CA THR A 116 13.116 4.389 -10.357 1.00 0.00 C ATOM 1837 C THR A 116 12.802 5.596 -11.230 1.00 0.00 C ATOM 1838 O THR A 116 12.516 5.453 -12.419 1.00 0.00 O ATOM 1839 CB THR A 116 11.907 3.438 -10.342 1.00 0.00 C ATOM 1840 OG1 THR A 116 10.954 3.896 -9.392 1.00 0.00 O ATOM 1841 CG2 THR A 116 12.360 2.018 -9.978 1.00 0.00 C ATOM 0 H THR A 116 12.631 4.899 -8.370 1.00 0.00 H new ATOM 0 HA THR A 116 13.985 3.881 -10.775 1.00 0.00 H new ATOM 0 HB THR A 116 11.453 3.421 -11.333 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.090 3.429 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.497 1.352 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.083 1.667 -10.714 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.822 2.025 -8.991 1.00 0.00 H new ATOM 1849 N LYS A 117 12.853 6.774 -10.632 1.00 0.00 N ATOM 1850 CA LYS A 117 12.569 8.005 -11.359 1.00 0.00 C ATOM 1851 C LYS A 117 13.758 8.437 -12.214 1.00 0.00 C ATOM 1852 O LYS A 117 13.724 8.326 -13.439 1.00 0.00 O ATOM 1853 CB LYS A 117 12.225 9.117 -10.370 1.00 0.00 C ATOM 1854 CG LYS A 117 11.142 8.632 -9.403 1.00 0.00 C ATOM 1855 CD LYS A 117 9.850 8.344 -10.176 1.00 0.00 C ATOM 1856 CE LYS A 117 8.676 8.281 -9.203 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.868 7.139 -8.265 1.00 0.00 N ATOM 0 H LYS A 117 13.087 6.907 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 117 11.724 7.817 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 117 13.116 9.412 -9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.878 10.000 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.477 7.732 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.959 9.387 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.678 9.122 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.939 7.401 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.602 9.215 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 117 7.742 8.162 -9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.997 6.990 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.087 6.278 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.654 7.350 -7.617 1.00 0.00 H new ATOM 1871 N LYS A 118 14.808 8.934 -11.565 1.00 0.00 N ATOM 1872 CA LYS A 118 15.994 9.380 -12.286 1.00 0.00 C ATOM 1873 C LYS A 118 16.473 8.275 -13.230 1.00 0.00 C ATOM 1874 O LYS A 118 16.161 7.101 -13.034 1.00 0.00 O ATOM 1875 CB LYS A 118 17.107 9.739 -11.286 1.00 0.00 C ATOM 1876 CG LYS A 118 16.698 10.962 -10.453 1.00 0.00 C ATOM 1877 CD LYS A 118 17.814 11.298 -9.453 1.00 0.00 C ATOM 1878 CE LYS A 118 17.431 12.532 -8.629 1.00 0.00 C ATOM 1879 NZ LYS A 118 18.508 12.820 -7.638 1.00 0.00 N ATOM 0 H LYS A 118 14.861 9.037 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 118 15.746 10.264 -12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.303 8.892 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 118 18.033 9.948 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.512 11.814 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.768 10.759 -9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.987 10.449 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.747 11.483 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.286 13.390 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.485 12.361 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.250 13.657 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.625 12.003 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.401 13.001 -8.139 1.00 0.00 H new ATOM 1893 N LYS A 119 17.224 8.658 -14.260 1.00 0.00 N ATOM 1894 CA LYS A 119 17.730 7.685 -15.226 1.00 0.00 C ATOM 1895 C LYS A 119 18.903 6.908 -14.644 1.00 0.00 C ATOM 1896 O LYS A 119 18.962 5.709 -14.864 1.00 0.00 O ATOM 1897 CB LYS A 119 18.170 8.397 -16.505 1.00 0.00 C ATOM 1898 CG LYS A 119 19.294 9.388 -16.187 1.00 0.00 C ATOM 1899 CD LYS A 119 19.629 10.200 -17.450 1.00 0.00 C ATOM 1900 CE LYS A 119 18.636 11.358 -17.604 1.00 0.00 C ATOM 1901 NZ LYS A 119 19.100 12.264 -18.685 1.00 0.00 N ATOM 1902 OXT LYS A 119 19.722 7.520 -13.980 1.00 0.00 O ATOM 0 H LYS A 119 17.494 9.624 -14.447 1.00 0.00 H new ATOM 0 HA LYS A 119 16.928 6.985 -15.459 1.00 0.00 H new ATOM 0 HB2 LYS A 119 18.513 7.667 -17.239 1.00 0.00 H new ATOM 0 HB3 LYS A 119 17.324 8.922 -16.949 1.00 0.00 H new ATOM 0 HG2 LYS A 119 18.988 10.056 -15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 119 20.178 8.853 -15.839 1.00 0.00 H new ATOM 0 HD2 LYS A 119 20.646 10.587 -17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 119 19.589 9.556 -18.328 1.00 0.00 H new ATOM 0 HE2 LYS A 119 17.644 10.972 -17.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 18.551 11.906 -16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 18.428 13.050 -18.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 20.039 12.641 -18.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 19.159 11.736 -19.579 1.00 0.00 H new TER 1916 LYS A 119