USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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 96 HIS :FLIP no HD1:sc= -0.115 F(o=-1.1,f=0.26) USER MOD Set 1.2: A 99 THR OG1 : rot 51:sc= 0.37 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.0889 USER MOD Set 2.2: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -0.872 K(o=-0.87,f=-7.8!) USER MOD Set 4.1: A 34 SER OG : rot 102:sc= 2.19 USER MOD Set 4.2: A 42 CYS SG : rot 77:sc= 1.22 USER MOD Set 5.1: A 24 ASN : amide:sc= 1.62 K(o=4.8,f=4) USER MOD Set 5.2: A 28 THR OG1 : rot 88:sc= 1.17 USER MOD Set 5.3: A 46 SER OG : rot -138:sc= 1.23 USER MOD Set 5.4: A 100 ASN : amide:sc= 0.734 K(o=4.8,f=2.2) USER MOD Single : A 1 GLN : amide:sc= -0.956 K(o=-0.96,f=-2.1!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -15:sc= 1.16 USER MOD Single : A 15 SER OG : rot -110:sc= 0.00375 USER MOD Single : A 21 ASN : amide:sc= 0.235 K(o=0.23,f=-2.5!) USER MOD Single : A 36 THR OG1 : rot -38:sc= 0.722 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0248 (180deg=-0.155) USER MOD Single : A 41 TYR OH : rot -136:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= -0.0395 K(o=-0.04,f=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc=-0.00855 (180deg=-0.146) USER MOD Single : A 55 ASN : amide:sc= 0.242 K(o=0.24,f=-0.39) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 0.924 (180deg=-0.103) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= -0.0634 (180deg=-0.375) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 1 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.912 F(o=-2.4!,f=-0.91) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 81 GLN : amide:sc= 0.517 K(o=0.52,f=-3!) USER MOD Single : A 82 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.061) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 28:sc= 1.26 USER MOD Single : A 88 SER OG : rot 29:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.961 K(o=0.96,f=-6.9!) USER MOD Single : A 102 CYS SG : rot -32:sc= -0.0496 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= -1.44! (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.209 -6.108 -15.506 1.00 0.00 N ATOM 2 CA GLN A 1 8.941 -5.358 -15.599 1.00 0.00 C ATOM 3 C GLN A 1 8.186 -5.438 -14.278 1.00 0.00 C ATOM 4 O GLN A 1 8.007 -6.520 -13.716 1.00 0.00 O ATOM 5 CB GLN A 1 8.094 -5.913 -16.759 1.00 0.00 C ATOM 6 CG GLN A 1 6.735 -5.244 -16.935 1.00 0.00 C ATOM 7 CD GLN A 1 5.669 -5.826 -16.028 1.00 0.00 C ATOM 8 OE1 GLN A 1 5.694 -7.011 -15.699 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.739 -4.994 -15.605 1.00 0.00 N ATOM 0 H1 GLN A 1 10.716 -6.047 -16.412 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.798 -5.701 -14.752 1.00 0.00 H new ATOM 0 H3 GLN A 1 10.008 -7.105 -15.289 1.00 0.00 H new ATOM 0 HA GLN A 1 9.154 -4.308 -15.800 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.658 -5.807 -17.686 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.940 -6.980 -16.600 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.832 -4.177 -16.735 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.417 -5.346 -17.973 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.754 -4.018 -15.902 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.004 -5.326 -14.981 1.00 0.00 H new ATOM 20 N ALA A 2 7.763 -4.284 -13.779 1.00 0.00 N ATOM 21 CA ALA A 2 7.005 -4.208 -12.539 1.00 0.00 C ATOM 22 C ALA A 2 6.122 -2.968 -12.542 1.00 0.00 C ATOM 23 O ALA A 2 6.567 -1.888 -12.932 1.00 0.00 O ATOM 24 CB ALA A 2 7.948 -4.185 -11.343 1.00 0.00 C ATOM 0 H ALA A 2 7.935 -3.380 -14.220 1.00 0.00 H new ATOM 0 HA ALA A 2 6.370 -5.090 -12.461 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.367 -4.128 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.550 -5.094 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.603 -3.317 -11.413 1.00 0.00 H new ATOM 30 N GLU A 3 4.872 -3.128 -12.125 1.00 0.00 N ATOM 31 CA GLU A 3 3.946 -2.007 -12.052 1.00 0.00 C ATOM 32 C GLU A 3 4.368 -1.045 -10.953 1.00 0.00 C ATOM 33 O GLU A 3 4.907 -1.479 -9.938 1.00 0.00 O ATOM 34 CB GLU A 3 2.519 -2.499 -11.802 1.00 0.00 C ATOM 35 CG GLU A 3 1.942 -3.306 -12.953 1.00 0.00 C ATOM 36 CD GLU A 3 1.926 -2.525 -14.250 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.083 -1.615 -14.392 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.763 -2.808 -15.132 1.00 0.00 O ATOM 0 H GLU A 3 4.478 -4.022 -11.833 1.00 0.00 H new ATOM 0 HA GLU A 3 3.968 -1.483 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.507 -3.110 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.875 -1.640 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.528 -4.215 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.927 -3.615 -12.705 1.00 0.00 H new ATOM 45 N GLU A 4 4.125 0.244 -11.163 1.00 0.00 N ATOM 46 CA GLU A 4 4.619 1.297 -10.265 1.00 0.00 C ATOM 47 C GLU A 4 4.339 0.979 -8.798 1.00 0.00 C ATOM 48 O GLU A 4 5.233 1.032 -7.952 1.00 0.00 O ATOM 49 CB GLU A 4 3.969 2.635 -10.620 1.00 0.00 C ATOM 50 CG GLU A 4 4.155 3.037 -12.070 1.00 0.00 C ATOM 51 CD GLU A 4 5.613 3.142 -12.456 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.217 4.208 -12.223 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.161 2.159 -12.993 1.00 0.00 O ATOM 0 H GLU A 4 3.584 0.593 -11.954 1.00 0.00 H new ATOM 0 HA GLU A 4 5.699 1.354 -10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.903 2.580 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.386 3.413 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.663 2.307 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.666 3.995 -12.244 1.00 0.00 H new ATOM 60 N TRP A 5 3.095 0.634 -8.518 1.00 0.00 N ATOM 61 CA TRP A 5 2.634 0.409 -7.154 1.00 0.00 C ATOM 62 C TRP A 5 3.068 -0.955 -6.610 1.00 0.00 C ATOM 63 O TRP A 5 3.304 -1.103 -5.410 1.00 0.00 O ATOM 64 CB TRP A 5 1.106 0.547 -7.110 1.00 0.00 C ATOM 65 CG TRP A 5 0.432 0.046 -8.360 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.173 0.765 -9.495 1.00 0.00 C ATOM 67 CD2 TRP A 5 -0.068 -1.275 -8.604 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.439 -0.033 -10.429 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.602 -1.287 -9.907 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.110 -2.451 -7.854 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -1.171 -2.427 -10.469 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.676 -3.580 -8.411 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.199 -3.561 -9.710 1.00 0.00 C ATOM 0 H TRP A 5 2.374 0.501 -9.227 1.00 0.00 H new ATOM 0 HA TRP A 5 3.094 1.160 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.722 -0.004 -6.251 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.846 1.595 -6.959 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.415 1.808 -9.635 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.726 0.262 -11.362 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.294 -2.477 -6.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.576 -2.414 -11.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.716 -4.493 -7.836 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.633 -4.461 -10.119 1.00 0.00 H new ATOM 84 N TYR A 6 3.184 -1.938 -7.492 1.00 0.00 N ATOM 85 CA TYR A 6 3.467 -3.309 -7.079 1.00 0.00 C ATOM 86 C TYR A 6 4.967 -3.575 -7.053 1.00 0.00 C ATOM 87 O TYR A 6 5.598 -3.725 -8.098 1.00 0.00 O ATOM 88 CB TYR A 6 2.773 -4.295 -8.025 1.00 0.00 C ATOM 89 CG TYR A 6 2.832 -5.738 -7.572 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.009 -6.201 -6.552 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.704 -6.639 -8.169 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.058 -7.518 -6.137 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.757 -7.958 -7.761 1.00 0.00 C ATOM 94 CZ TYR A 6 2.934 -8.393 -6.745 1.00 0.00 C ATOM 95 OH TYR A 6 2.996 -9.705 -6.331 1.00 0.00 O ATOM 0 H TYR A 6 3.087 -1.813 -8.500 1.00 0.00 H new ATOM 0 HA TYR A 6 3.081 -3.448 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.729 -4.003 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.230 -4.217 -9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.319 -5.520 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.351 -6.303 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.414 -7.861 -5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.441 -8.645 -8.237 1.00 0.00 H new ATOM 0 HH TYR A 6 3.664 -10.185 -6.864 1.00 0.00 H new ATOM 105 N PHE A 7 5.523 -3.654 -5.856 1.00 0.00 N ATOM 106 CA PHE A 7 6.953 -3.898 -5.695 1.00 0.00 C ATOM 107 C PHE A 7 7.249 -5.382 -5.502 1.00 0.00 C ATOM 108 O PHE A 7 8.346 -5.763 -5.079 1.00 0.00 O ATOM 109 CB PHE A 7 7.508 -3.087 -4.522 1.00 0.00 C ATOM 110 CG PHE A 7 7.739 -1.645 -4.858 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.687 -0.747 -4.876 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.012 -1.188 -5.156 1.00 0.00 C ATOM 113 CE1 PHE A 7 6.898 0.580 -5.185 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.231 0.140 -5.466 1.00 0.00 C ATOM 115 CZ PHE A 7 8.172 1.026 -5.480 1.00 0.00 C ATOM 0 H PHE A 7 5.010 -3.553 -4.980 1.00 0.00 H new ATOM 0 HA PHE A 7 7.448 -3.575 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.814 -3.151 -3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.447 -3.532 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.689 -1.089 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.843 -1.878 -5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.068 1.271 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.228 0.485 -5.697 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.339 2.065 -5.721 1.00 0.00 H new ATOM 125 N GLY A 8 6.271 -6.217 -5.818 1.00 0.00 N ATOM 126 CA GLY A 8 6.454 -7.650 -5.709 1.00 0.00 C ATOM 127 C GLY A 8 6.253 -8.128 -4.293 1.00 0.00 C ATOM 128 O GLY A 8 5.271 -7.767 -3.651 1.00 0.00 O ATOM 0 H GLY A 8 5.351 -5.927 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.751 -8.159 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.456 -7.916 -6.045 1.00 0.00 H new ATOM 132 N LYS A 9 7.185 -8.921 -3.795 1.00 0.00 N ATOM 133 CA LYS A 9 7.117 -9.372 -2.419 1.00 0.00 C ATOM 134 C LYS A 9 8.380 -8.965 -1.674 1.00 0.00 C ATOM 135 O LYS A 9 9.491 -9.370 -2.016 1.00 0.00 O ATOM 136 CB LYS A 9 6.862 -10.892 -2.313 1.00 0.00 C ATOM 137 CG LYS A 9 8.056 -11.793 -2.611 1.00 0.00 C ATOM 138 CD LYS A 9 8.344 -11.898 -4.096 1.00 0.00 C ATOM 139 CE LYS A 9 9.460 -12.888 -4.372 1.00 0.00 C ATOM 140 NZ LYS A 9 9.743 -13.004 -5.824 1.00 0.00 N ATOM 0 H LYS A 9 7.991 -9.263 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 9 6.262 -8.885 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.509 -11.112 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.055 -11.153 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.937 -11.405 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.866 -12.788 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.441 -12.208 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.620 -10.918 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.363 -12.574 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.186 -13.866 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.511 -13.689 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.888 -13.328 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.029 -12.076 -6.197 1.00 0.00 H new ATOM 154 N ILE A 10 8.199 -8.110 -0.688 1.00 0.00 N ATOM 155 CA ILE A 10 9.294 -7.646 0.144 1.00 0.00 C ATOM 156 C ILE A 10 8.889 -7.759 1.606 1.00 0.00 C ATOM 157 O ILE A 10 7.698 -7.732 1.925 1.00 0.00 O ATOM 158 CB ILE A 10 9.672 -6.181 -0.177 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.473 -5.250 0.032 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.194 -6.065 -1.605 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.787 -3.786 -0.201 1.00 0.00 C ATOM 0 H ILE A 10 7.291 -7.717 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 10 10.166 -8.268 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 10 10.463 -5.876 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.670 -5.551 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.101 -5.375 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.455 -5.028 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.078 -6.692 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.423 -6.392 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.890 -3.190 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.568 -3.467 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.130 -3.646 -1.226 1.00 0.00 H new ATOM 173 N THR A 11 9.862 -7.896 2.488 1.00 0.00 N ATOM 174 CA THR A 11 9.570 -8.043 3.900 1.00 0.00 C ATOM 175 C THR A 11 9.685 -6.702 4.612 1.00 0.00 C ATOM 176 O THR A 11 9.986 -5.689 3.973 1.00 0.00 O ATOM 177 CB THR A 11 10.493 -9.082 4.573 1.00 0.00 C ATOM 178 OG1 THR A 11 11.875 -8.718 4.421 1.00 0.00 O ATOM 179 CG2 THR A 11 10.265 -10.468 3.985 1.00 0.00 C ATOM 0 H THR A 11 10.854 -7.908 2.253 1.00 0.00 H new ATOM 0 HA THR A 11 8.545 -8.405 3.983 1.00 0.00 H new ATOM 0 HB THR A 11 10.248 -9.100 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.957 -8.026 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.926 -11.184 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.228 -10.764 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.478 -10.449 2.916 1.00 0.00 H new ATOM 187 N ARG A 12 9.439 -6.692 5.917 1.00 0.00 N ATOM 188 CA ARG A 12 9.520 -5.466 6.706 1.00 0.00 C ATOM 189 C ARG A 12 10.878 -4.790 6.539 1.00 0.00 C ATOM 190 O ARG A 12 10.977 -3.566 6.578 1.00 0.00 O ATOM 191 CB ARG A 12 9.271 -5.754 8.188 1.00 0.00 C ATOM 192 CG ARG A 12 10.230 -6.774 8.789 1.00 0.00 C ATOM 193 CD ARG A 12 10.391 -6.568 10.283 1.00 0.00 C ATOM 194 NE ARG A 12 11.022 -5.283 10.580 1.00 0.00 N ATOM 195 CZ ARG A 12 10.524 -4.387 11.428 1.00 0.00 C ATOM 196 NH1 ARG A 12 9.378 -4.628 12.057 1.00 0.00 N ATOM 197 NH2 ARG A 12 11.169 -3.246 11.639 1.00 0.00 N ATOM 0 H ARG A 12 9.181 -7.521 6.453 1.00 0.00 H new ATOM 0 HA ARG A 12 8.746 -4.792 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.350 -4.822 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.250 -6.114 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.860 -7.781 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.202 -6.693 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.415 -6.616 10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.993 -7.375 10.700 1.00 0.00 H new ATOM 0 HE ARG A 12 11.898 -5.060 10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.878 -5.501 11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.998 -3.939 12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.045 -3.058 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.789 -2.558 12.289 1.00 0.00 H new ATOM 211 N ARG A 13 11.918 -5.593 6.336 1.00 0.00 N ATOM 212 CA ARG A 13 13.267 -5.068 6.187 1.00 0.00 C ATOM 213 C ARG A 13 13.352 -4.114 4.998 1.00 0.00 C ATOM 214 O ARG A 13 13.808 -2.984 5.138 1.00 0.00 O ATOM 215 CB ARG A 13 14.266 -6.213 6.019 1.00 0.00 C ATOM 216 CG ARG A 13 15.709 -5.751 5.901 1.00 0.00 C ATOM 217 CD ARG A 13 16.664 -6.929 5.813 1.00 0.00 C ATOM 218 NE ARG A 13 16.383 -7.787 4.661 1.00 0.00 N ATOM 219 CZ ARG A 13 16.905 -9.001 4.494 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.715 -9.510 5.416 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.617 -9.703 3.407 1.00 0.00 N ATOM 0 H ARG A 13 11.850 -6.609 6.271 1.00 0.00 H new ATOM 0 HA ARG A 13 13.517 -4.511 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.178 -6.888 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.003 -6.786 5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.820 -5.124 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.967 -5.135 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.688 -6.560 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.596 -7.518 6.727 1.00 0.00 H new ATOM 0 HE ARG A 13 15.750 -7.434 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.938 -8.971 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.114 -10.440 5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.996 -9.314 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.017 -10.633 3.279 1.00 0.00 H new ATOM 235 N GLU A 14 12.889 -4.566 3.840 1.00 0.00 N ATOM 236 CA GLU A 14 12.930 -3.755 2.628 1.00 0.00 C ATOM 237 C GLU A 14 11.896 -2.639 2.699 1.00 0.00 C ATOM 238 O GLU A 14 12.190 -1.483 2.392 1.00 0.00 O ATOM 239 CB GLU A 14 12.659 -4.606 1.380 1.00 0.00 C ATOM 240 CG GLU A 14 13.675 -5.710 1.117 1.00 0.00 C ATOM 241 CD GLU A 14 13.587 -6.850 2.107 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.494 -7.437 2.250 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.610 -7.158 2.751 1.00 0.00 O ATOM 0 H GLU A 14 12.480 -5.492 3.713 1.00 0.00 H new ATOM 0 HA GLU A 14 13.930 -3.328 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.671 -5.058 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.627 -3.949 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.526 -6.100 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.679 -5.286 1.149 1.00 0.00 H new ATOM 250 N SER A 15 10.688 -3.002 3.116 1.00 0.00 N ATOM 251 CA SER A 15 9.569 -2.073 3.161 1.00 0.00 C ATOM 252 C SER A 15 9.877 -0.891 4.077 1.00 0.00 C ATOM 253 O SER A 15 10.030 0.246 3.615 1.00 0.00 O ATOM 254 CB SER A 15 8.311 -2.810 3.637 1.00 0.00 C ATOM 255 OG SER A 15 7.194 -1.943 3.730 1.00 0.00 O ATOM 0 H SER A 15 10.459 -3.945 3.431 1.00 0.00 H new ATOM 0 HA SER A 15 9.397 -1.680 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.083 -3.623 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.502 -3.262 4.610 1.00 0.00 H new ATOM 0 HG SER A 15 6.961 -1.810 4.672 1.00 0.00 H new ATOM 261 N GLU A 16 9.996 -1.164 5.370 1.00 0.00 N ATOM 262 CA GLU A 16 10.234 -0.133 6.359 1.00 0.00 C ATOM 263 C GLU A 16 11.551 0.613 6.121 1.00 0.00 C ATOM 264 O GLU A 16 11.702 1.741 6.574 1.00 0.00 O ATOM 265 CB GLU A 16 10.226 -0.759 7.747 1.00 0.00 C ATOM 266 CG GLU A 16 8.842 -1.126 8.279 1.00 0.00 C ATOM 267 CD GLU A 16 7.808 -1.437 7.220 1.00 0.00 C ATOM 268 OE1 GLU A 16 7.746 -2.595 6.764 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.024 -0.528 6.875 1.00 0.00 O ATOM 0 H GLU A 16 9.930 -2.105 5.757 1.00 0.00 H new ATOM 0 HA GLU A 16 9.435 0.604 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.842 -1.658 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.696 -0.066 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.940 -1.992 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.475 -0.302 8.892 1.00 0.00 H new ATOM 276 N ARG A 17 12.501 -0.006 5.420 1.00 0.00 N ATOM 277 CA ARG A 17 13.775 0.658 5.125 1.00 0.00 C ATOM 278 C ARG A 17 13.531 1.895 4.266 1.00 0.00 C ATOM 279 O ARG A 17 14.119 2.953 4.490 1.00 0.00 O ATOM 280 CB ARG A 17 14.739 -0.310 4.414 1.00 0.00 C ATOM 281 CG ARG A 17 16.166 0.213 4.247 1.00 0.00 C ATOM 282 CD ARG A 17 16.302 1.154 3.055 1.00 0.00 C ATOM 283 NE ARG A 17 17.636 1.750 2.961 1.00 0.00 N ATOM 284 CZ ARG A 17 17.874 2.981 2.503 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.871 3.740 2.082 1.00 0.00 N ATOM 286 NH2 ARG A 17 19.114 3.452 2.470 1.00 0.00 N ATOM 0 H ARG A 17 12.417 -0.953 5.049 1.00 0.00 H new ATOM 0 HA ARG A 17 14.234 0.966 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.773 -1.244 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.335 -0.544 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.468 0.735 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.847 -0.629 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.087 0.606 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.558 1.947 3.135 1.00 0.00 H new ATOM 0 HE ARG A 17 18.433 1.190 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.916 3.383 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.055 4.680 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.888 2.873 2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.293 4.393 2.119 1.00 0.00 H new ATOM 300 N LEU A 18 12.655 1.756 3.285 1.00 0.00 N ATOM 301 CA LEU A 18 12.368 2.842 2.360 1.00 0.00 C ATOM 302 C LEU A 18 11.385 3.832 2.973 1.00 0.00 C ATOM 303 O LEU A 18 11.531 5.044 2.824 1.00 0.00 O ATOM 304 CB LEU A 18 11.788 2.282 1.059 1.00 0.00 C ATOM 305 CG LEU A 18 12.674 1.270 0.327 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.968 0.738 -0.910 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.007 1.899 -0.048 1.00 0.00 C ATOM 0 H LEU A 18 12.129 0.900 3.108 1.00 0.00 H new ATOM 0 HA LEU A 18 13.301 3.364 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.832 1.808 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.582 3.114 0.385 1.00 0.00 H new ATOM 0 HG LEU A 18 12.866 0.434 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.613 0.020 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.040 0.247 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.744 1.564 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.623 1.164 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.835 2.755 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.520 2.229 0.855 1.00 0.00 H new ATOM 319 N LEU A 19 10.401 3.305 3.684 1.00 0.00 N ATOM 320 CA LEU A 19 9.302 4.117 4.190 1.00 0.00 C ATOM 321 C LEU A 19 9.687 4.892 5.454 1.00 0.00 C ATOM 322 O LEU A 19 9.247 6.023 5.646 1.00 0.00 O ATOM 323 CB LEU A 19 8.090 3.229 4.448 1.00 0.00 C ATOM 324 CG LEU A 19 7.644 2.393 3.244 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.516 1.461 3.634 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.214 3.290 2.091 1.00 0.00 C ATOM 0 H LEU A 19 10.339 2.316 3.925 1.00 0.00 H new ATOM 0 HA LEU A 19 9.055 4.860 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.318 2.557 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.258 3.856 4.766 1.00 0.00 H new ATOM 0 HG LEU A 19 8.493 1.794 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.212 0.875 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.854 0.791 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.669 2.045 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.902 2.674 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.382 3.918 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.050 3.921 1.789 1.00 0.00 H new ATOM 338 N LEU A 20 10.519 4.295 6.307 1.00 0.00 N ATOM 339 CA LEU A 20 10.976 4.978 7.520 1.00 0.00 C ATOM 340 C LEU A 20 12.158 5.887 7.208 1.00 0.00 C ATOM 341 O LEU A 20 12.875 6.332 8.106 1.00 0.00 O ATOM 342 CB LEU A 20 11.357 3.985 8.626 1.00 0.00 C ATOM 343 CG LEU A 20 10.196 3.441 9.468 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.375 4.580 10.051 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.313 2.511 8.654 1.00 0.00 C ATOM 0 H LEU A 20 10.887 3.352 6.185 1.00 0.00 H new ATOM 0 HA LEU A 20 10.144 5.581 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.874 3.142 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.068 4.471 9.294 1.00 0.00 H new ATOM 0 HG LEU A 20 10.623 2.865 10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.557 4.172 10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.010 5.199 10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.969 5.187 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.500 2.142 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.900 3.053 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.905 1.669 8.295 1.00 0.00 H new ATOM 357 N ASN A 21 12.371 6.133 5.928 1.00 0.00 N ATOM 358 CA ASN A 21 13.357 7.102 5.485 1.00 0.00 C ATOM 359 C ASN A 21 12.667 8.449 5.301 1.00 0.00 C ATOM 360 O ASN A 21 11.904 8.636 4.351 1.00 0.00 O ATOM 361 CB ASN A 21 14.009 6.638 4.179 1.00 0.00 C ATOM 362 CG ASN A 21 14.959 7.662 3.596 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.584 8.443 4.315 1.00 0.00 O ATOM 364 ND2 ASN A 21 15.075 7.660 2.280 1.00 0.00 N ATOM 0 H ASN A 21 11.869 5.670 5.170 1.00 0.00 H new ATOM 0 HA ASN A 21 14.146 7.199 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.551 5.709 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.230 6.416 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.701 8.323 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.539 6.996 1.722 1.00 0.00 H new ATOM 371 N PRO A 22 12.924 9.401 6.215 1.00 0.00 N ATOM 372 CA PRO A 22 12.169 10.659 6.305 1.00 0.00 C ATOM 373 C PRO A 22 12.466 11.658 5.181 1.00 0.00 C ATOM 374 O PRO A 22 12.719 12.834 5.440 1.00 0.00 O ATOM 375 CB PRO A 22 12.609 11.235 7.652 1.00 0.00 C ATOM 376 CG PRO A 22 13.976 10.689 7.868 1.00 0.00 C ATOM 377 CD PRO A 22 13.982 9.323 7.243 1.00 0.00 C ATOM 0 HA PRO A 22 11.099 10.474 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.616 12.325 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.932 10.935 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.729 11.331 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.210 10.632 8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.951 9.089 6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.770 8.546 7.977 1.00 0.00 H new ATOM 385 N GLU A 23 12.431 11.195 3.939 1.00 0.00 N ATOM 386 CA GLU A 23 12.535 12.086 2.790 1.00 0.00 C ATOM 387 C GLU A 23 11.279 11.974 1.933 1.00 0.00 C ATOM 388 O GLU A 23 11.173 12.585 0.868 1.00 0.00 O ATOM 389 CB GLU A 23 13.783 11.775 1.955 1.00 0.00 C ATOM 390 CG GLU A 23 13.738 10.443 1.227 1.00 0.00 C ATOM 391 CD GLU A 23 14.894 10.273 0.258 1.00 0.00 C ATOM 392 OE1 GLU A 23 14.849 10.866 -0.839 1.00 0.00 O ATOM 393 OE2 GLU A 23 15.856 9.552 0.585 1.00 0.00 O ATOM 0 H GLU A 23 12.331 10.208 3.701 1.00 0.00 H new ATOM 0 HA GLU A 23 12.629 13.108 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.922 12.570 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.655 11.788 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.757 9.633 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.797 10.361 0.683 1.00 0.00 H new ATOM 400 N ASN A 24 10.318 11.198 2.418 1.00 0.00 N ATOM 401 CA ASN A 24 9.074 10.972 1.693 1.00 0.00 C ATOM 402 C ASN A 24 7.938 11.772 2.326 1.00 0.00 C ATOM 403 O ASN A 24 7.911 11.968 3.543 1.00 0.00 O ATOM 404 CB ASN A 24 8.716 9.476 1.665 1.00 0.00 C ATOM 405 CG ASN A 24 8.254 8.934 3.011 1.00 0.00 C ATOM 406 OD1 ASN A 24 7.080 9.022 3.358 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.168 8.348 3.767 1.00 0.00 N ATOM 0 H ASN A 24 10.377 10.713 3.313 1.00 0.00 H new ATOM 0 HA ASN A 24 9.216 11.309 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.930 9.313 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.586 8.909 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.906 7.952 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.135 8.293 3.447 1.00 0.00 H new ATOM 414 N PRO A 25 7.015 12.282 1.497 1.00 0.00 N ATOM 415 CA PRO A 25 5.834 13.008 1.964 1.00 0.00 C ATOM 416 C PRO A 25 4.690 12.066 2.331 1.00 0.00 C ATOM 417 O PRO A 25 4.734 10.870 2.029 1.00 0.00 O ATOM 418 CB PRO A 25 5.459 13.846 0.743 1.00 0.00 C ATOM 419 CG PRO A 25 5.871 13.016 -0.423 1.00 0.00 C ATOM 420 CD PRO A 25 7.061 12.204 0.024 1.00 0.00 C ATOM 0 HA PRO A 25 6.027 13.588 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.390 14.058 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.974 14.806 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.057 12.366 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.129 13.645 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.994 11.173 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.993 12.612 -0.368 1.00 0.00 H new ATOM 428 N ARG A 26 3.663 12.606 2.981 1.00 0.00 N ATOM 429 CA ARG A 26 2.497 11.819 3.338 1.00 0.00 C ATOM 430 C ARG A 26 1.777 11.327 2.096 1.00 0.00 C ATOM 431 O ARG A 26 1.457 12.109 1.196 1.00 0.00 O ATOM 432 CB ARG A 26 1.534 12.632 4.193 1.00 0.00 C ATOM 433 CG ARG A 26 2.005 12.842 5.618 1.00 0.00 C ATOM 434 CD ARG A 26 0.866 13.310 6.505 1.00 0.00 C ATOM 435 NE ARG A 26 -0.172 12.286 6.615 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.415 12.504 7.031 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.822 13.733 7.327 1.00 0.00 N ATOM 438 NH2 ARG A 26 -2.258 11.483 7.143 1.00 0.00 N ATOM 0 H ARG A 26 3.619 13.584 3.269 1.00 0.00 H new ATOM 0 HA ARG A 26 2.844 10.960 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.380 13.604 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.567 12.130 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.417 11.912 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.809 13.578 5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.249 13.552 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.436 14.225 6.098 1.00 0.00 H new ATOM 0 HE ARG A 26 0.077 11.332 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.179 14.519 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.778 13.891 7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.950 10.539 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.214 11.643 7.462 1.00 0.00 H new ATOM 452 N GLY A 27 1.511 10.036 2.063 1.00 0.00 N ATOM 453 CA GLY A 27 0.851 9.446 0.918 1.00 0.00 C ATOM 454 C GLY A 27 1.781 8.574 0.110 1.00 0.00 C ATOM 455 O GLY A 27 1.397 8.067 -0.946 1.00 0.00 O ATOM 0 H GLY A 27 1.740 9.381 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.002 8.852 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.454 10.237 0.282 1.00 0.00 H new ATOM 459 N THR A 28 3.008 8.420 0.598 1.00 0.00 N ATOM 460 CA THR A 28 3.979 7.528 -0.022 1.00 0.00 C ATOM 461 C THR A 28 3.591 6.076 0.239 1.00 0.00 C ATOM 462 O THR A 28 3.693 5.593 1.364 1.00 0.00 O ATOM 463 CB THR A 28 5.403 7.781 0.517 1.00 0.00 C ATOM 464 OG1 THR A 28 5.783 9.144 0.276 1.00 0.00 O ATOM 465 CG2 THR A 28 6.407 6.844 -0.143 1.00 0.00 C ATOM 0 H THR A 28 3.354 8.905 1.426 1.00 0.00 H new ATOM 0 HA THR A 28 3.977 7.727 -1.094 1.00 0.00 H new ATOM 0 HB THR A 28 5.402 7.588 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.488 9.703 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.403 7.041 0.253 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.132 5.810 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.405 7.009 -1.220 1.00 0.00 H new ATOM 473 N PHE A 29 3.145 5.386 -0.799 1.00 0.00 N ATOM 474 CA PHE A 29 2.621 4.039 -0.638 1.00 0.00 C ATOM 475 C PHE A 29 3.307 3.055 -1.574 1.00 0.00 C ATOM 476 O PHE A 29 3.931 3.447 -2.562 1.00 0.00 O ATOM 477 CB PHE A 29 1.112 4.025 -0.908 1.00 0.00 C ATOM 478 CG PHE A 29 0.750 4.237 -2.358 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.727 5.510 -2.907 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.427 3.158 -3.166 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.391 5.699 -4.235 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.093 3.343 -4.494 1.00 0.00 C ATOM 483 CZ PHE A 29 0.075 4.615 -5.029 1.00 0.00 C ATOM 0 H PHE A 29 3.135 5.734 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 29 2.818 3.731 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.702 3.071 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.638 4.801 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.974 6.362 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.437 2.160 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.376 6.695 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.154 2.493 -5.113 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.186 4.762 -6.067 1.00 0.00 H new ATOM 493 N LEU A 30 3.186 1.779 -1.244 1.00 0.00 N ATOM 494 CA LEU A 30 3.619 0.699 -2.115 1.00 0.00 C ATOM 495 C LEU A 30 2.920 -0.584 -1.681 1.00 0.00 C ATOM 496 O LEU A 30 2.681 -0.793 -0.490 1.00 0.00 O ATOM 497 CB LEU A 30 5.149 0.524 -2.087 1.00 0.00 C ATOM 498 CG LEU A 30 5.737 -0.194 -0.864 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.232 -0.398 -1.035 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.468 0.583 0.408 1.00 0.00 C ATOM 0 H LEU A 30 2.783 1.463 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 30 3.349 0.941 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.445 -0.026 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.606 1.511 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 30 5.250 -1.166 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.632 -0.908 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.418 -1.002 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.721 0.570 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.896 0.050 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.922 1.571 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.392 0.687 0.550 1.00 0.00 H new ATOM 512 N VAL A 31 2.561 -1.425 -2.633 1.00 0.00 N ATOM 513 CA VAL A 31 1.885 -2.668 -2.306 1.00 0.00 C ATOM 514 C VAL A 31 2.811 -3.858 -2.505 1.00 0.00 C ATOM 515 O VAL A 31 3.366 -4.074 -3.586 1.00 0.00 O ATOM 516 CB VAL A 31 0.572 -2.854 -3.106 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.786 -2.626 -4.586 1.00 0.00 C ATOM 518 CG2 VAL A 31 -0.030 -4.229 -2.854 1.00 0.00 C ATOM 0 H VAL A 31 2.723 -1.274 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 31 1.611 -2.612 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.134 -2.102 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.157 -2.765 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.148 -1.611 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.521 -3.338 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.951 -4.334 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.678 -4.998 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.249 -4.341 -1.792 1.00 0.00 H new ATOM 528 N ARG A 32 2.997 -4.604 -1.431 1.00 0.00 N ATOM 529 CA ARG A 32 3.853 -5.774 -1.441 1.00 0.00 C ATOM 530 C ARG A 32 3.036 -7.028 -1.144 1.00 0.00 C ATOM 531 O ARG A 32 2.108 -6.997 -0.331 1.00 0.00 O ATOM 532 CB ARG A 32 4.963 -5.618 -0.399 1.00 0.00 C ATOM 533 CG ARG A 32 4.445 -5.407 1.017 1.00 0.00 C ATOM 534 CD ARG A 32 5.573 -5.351 2.032 1.00 0.00 C ATOM 535 NE ARG A 32 5.071 -5.236 3.399 1.00 0.00 N ATOM 536 CZ ARG A 32 5.437 -6.044 4.396 1.00 0.00 C ATOM 537 NH1 ARG A 32 6.308 -7.023 4.183 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.924 -5.876 5.606 1.00 0.00 N ATOM 0 H ARG A 32 2.559 -4.415 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 32 4.302 -5.872 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.594 -6.506 -0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.594 -4.773 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.873 -4.480 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.762 -6.216 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.185 -6.249 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.219 -4.502 1.810 1.00 0.00 H new ATOM 0 HE ARG A 32 4.401 -4.494 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.702 -7.161 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.583 -7.637 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.250 -5.129 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.203 -6.493 6.369 1.00 0.00 H new ATOM 552 N GLU A 33 3.368 -8.115 -1.815 1.00 0.00 N ATOM 553 CA GLU A 33 2.739 -9.395 -1.552 1.00 0.00 C ATOM 554 C GLU A 33 3.413 -10.040 -0.347 1.00 0.00 C ATOM 555 O GLU A 33 4.625 -10.243 -0.337 1.00 0.00 O ATOM 556 CB GLU A 33 2.845 -10.298 -2.787 1.00 0.00 C ATOM 557 CG GLU A 33 2.043 -11.585 -2.679 1.00 0.00 C ATOM 558 CD GLU A 33 2.078 -12.405 -3.956 1.00 0.00 C ATOM 559 OE1 GLU A 33 3.007 -13.226 -4.116 1.00 0.00 O ATOM 560 OE2 GLU A 33 1.172 -12.238 -4.803 1.00 0.00 O ATOM 0 H GLU A 33 4.074 -8.136 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 33 1.681 -9.250 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.506 -9.742 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.893 -10.547 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.434 -12.184 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.008 -11.344 -2.435 1.00 0.00 H new ATOM 567 N SER A 34 2.638 -10.326 0.682 1.00 0.00 N ATOM 568 CA SER A 34 3.187 -10.898 1.896 1.00 0.00 C ATOM 569 C SER A 34 3.464 -12.387 1.702 1.00 0.00 C ATOM 570 O SER A 34 2.539 -13.182 1.542 1.00 0.00 O ATOM 571 CB SER A 34 2.215 -10.677 3.052 1.00 0.00 C ATOM 572 OG SER A 34 1.706 -9.353 3.035 1.00 0.00 O ATOM 0 H SER A 34 1.630 -10.172 0.702 1.00 0.00 H new ATOM 0 HA SER A 34 4.130 -10.405 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.392 -11.389 2.983 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.720 -10.865 3.999 1.00 0.00 H new ATOM 0 HG SER A 34 0.802 -9.355 2.657 1.00 0.00 H new ATOM 578 N GLU A 35 4.739 -12.759 1.719 1.00 0.00 N ATOM 579 CA GLU A 35 5.134 -14.150 1.513 1.00 0.00 C ATOM 580 C GLU A 35 4.748 -15.025 2.708 1.00 0.00 C ATOM 581 O GLU A 35 4.927 -16.243 2.683 1.00 0.00 O ATOM 582 CB GLU A 35 6.640 -14.247 1.251 1.00 0.00 C ATOM 583 CG GLU A 35 7.498 -13.604 2.331 1.00 0.00 C ATOM 584 CD GLU A 35 8.979 -13.828 2.109 1.00 0.00 C ATOM 585 OE1 GLU A 35 9.565 -13.155 1.239 1.00 0.00 O ATOM 586 OE2 GLU A 35 9.564 -14.677 2.811 1.00 0.00 O ATOM 0 H GLU A 35 5.517 -12.118 1.873 1.00 0.00 H new ATOM 0 HA GLU A 35 4.598 -14.519 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.916 -15.298 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.863 -13.775 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.297 -12.533 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.215 -14.008 3.303 1.00 0.00 H new ATOM 593 N THR A 36 4.207 -14.404 3.748 1.00 0.00 N ATOM 594 CA THR A 36 3.777 -15.128 4.933 1.00 0.00 C ATOM 595 C THR A 36 2.278 -15.446 4.860 1.00 0.00 C ATOM 596 O THR A 36 1.678 -15.909 5.829 1.00 0.00 O ATOM 597 CB THR A 36 4.094 -14.320 6.215 1.00 0.00 C ATOM 598 OG1 THR A 36 3.778 -15.081 7.388 1.00 0.00 O ATOM 599 CG2 THR A 36 3.327 -13.004 6.238 1.00 0.00 C ATOM 0 H THR A 36 4.056 -13.396 3.793 1.00 0.00 H new ATOM 0 HA THR A 36 4.328 -16.068 4.973 1.00 0.00 H new ATOM 0 HB THR A 36 5.162 -14.103 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.955 -15.590 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.569 -12.458 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.606 -12.405 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.256 -13.206 6.210 1.00 0.00 H new ATOM 607 N THR A 37 1.686 -15.197 3.698 1.00 0.00 N ATOM 608 CA THR A 37 0.268 -15.450 3.485 1.00 0.00 C ATOM 609 C THR A 37 0.020 -15.793 2.017 1.00 0.00 C ATOM 610 O THR A 37 0.915 -15.650 1.184 1.00 0.00 O ATOM 611 CB THR A 37 -0.585 -14.225 3.891 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.984 -14.521 3.778 1.00 0.00 O ATOM 613 CG2 THR A 37 -0.247 -13.026 3.023 1.00 0.00 C ATOM 0 H THR A 37 2.171 -14.818 2.885 1.00 0.00 H new ATOM 0 HA THR A 37 -0.027 -16.291 4.112 1.00 0.00 H new ATOM 0 HB THR A 37 -0.356 -13.988 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.507 -13.735 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.858 -12.175 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.807 -12.776 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.448 -13.265 1.979 1.00 0.00 H new ATOM 621 N LYS A 38 -1.183 -16.252 1.702 1.00 0.00 N ATOM 622 CA LYS A 38 -1.527 -16.611 0.335 1.00 0.00 C ATOM 623 C LYS A 38 -2.755 -15.835 -0.135 1.00 0.00 C ATOM 624 O LYS A 38 -3.541 -16.308 -0.961 1.00 0.00 O ATOM 625 CB LYS A 38 -1.774 -18.117 0.240 1.00 0.00 C ATOM 626 CG LYS A 38 -3.019 -18.578 0.982 1.00 0.00 C ATOM 627 CD LYS A 38 -3.178 -20.086 0.938 1.00 0.00 C ATOM 628 CE LYS A 38 -4.517 -20.516 1.515 1.00 0.00 C ATOM 629 NZ LYS A 38 -4.720 -20.015 2.899 1.00 0.00 N ATOM 0 H LYS A 38 -1.937 -16.384 2.376 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.693 -16.348 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.862 -18.397 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.907 -18.645 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.966 -18.249 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.899 -18.107 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.095 -20.433 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.370 -20.556 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.320 -20.149 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.579 -21.604 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.540 -20.493 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.872 -20.212 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.891 -18.989 2.875 1.00 0.00 H new ATOM 643 N GLY A 39 -2.912 -14.640 0.402 1.00 0.00 N ATOM 644 CA GLY A 39 -4.043 -13.811 0.041 1.00 0.00 C ATOM 645 C GLY A 39 -4.167 -12.580 0.908 1.00 0.00 C ATOM 646 O GLY A 39 -5.264 -12.230 1.345 1.00 0.00 O ATOM 0 H GLY A 39 -2.276 -14.226 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.947 -13.507 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.958 -14.398 0.119 1.00 0.00 H new ATOM 650 N ALA A 40 -3.045 -11.917 1.152 1.00 0.00 N ATOM 651 CA ALA A 40 -3.037 -10.700 1.952 1.00 0.00 C ATOM 652 C ALA A 40 -1.878 -9.799 1.546 1.00 0.00 C ATOM 653 O ALA A 40 -0.728 -10.031 1.923 1.00 0.00 O ATOM 654 CB ALA A 40 -2.968 -11.022 3.441 1.00 0.00 C ATOM 0 H ALA A 40 -2.128 -12.202 0.807 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.970 -10.169 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.963 -10.095 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.834 -11.619 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.057 -11.582 3.650 1.00 0.00 H new ATOM 660 N TYR A 41 -2.188 -8.781 0.769 1.00 0.00 N ATOM 661 CA TYR A 41 -1.187 -7.835 0.303 1.00 0.00 C ATOM 662 C TYR A 41 -1.074 -6.679 1.284 1.00 0.00 C ATOM 663 O TYR A 41 -2.044 -6.325 1.948 1.00 0.00 O ATOM 664 CB TYR A 41 -1.555 -7.318 -1.091 1.00 0.00 C ATOM 665 CG TYR A 41 -1.516 -8.387 -2.161 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.510 -9.353 -2.243 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.480 -8.433 -3.081 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.472 -10.338 -3.210 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.432 -9.416 -4.052 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.430 -10.365 -4.112 1.00 0.00 C ATOM 671 OH TYR A 41 -1.380 -11.351 -5.071 1.00 0.00 O ATOM 0 H TYR A 41 -3.134 -8.584 0.443 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.223 -8.340 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.555 -6.885 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.870 -6.516 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.328 -9.334 -1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.302 -7.689 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.253 -11.082 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.383 -9.440 -4.760 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.467 -11.703 -5.131 1.00 0.00 H new ATOM 681 N CYS A 42 0.105 -6.102 1.391 1.00 0.00 N ATOM 682 CA CYS A 42 0.307 -4.983 2.292 1.00 0.00 C ATOM 683 C CYS A 42 0.496 -3.693 1.512 1.00 0.00 C ATOM 684 O CYS A 42 1.534 -3.484 0.879 1.00 0.00 O ATOM 685 CB CYS A 42 1.513 -5.228 3.199 1.00 0.00 C ATOM 686 SG CYS A 42 1.333 -6.652 4.302 1.00 0.00 S ATOM 0 H CYS A 42 0.934 -6.386 0.869 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.583 -4.888 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.397 -5.373 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.688 -4.336 3.801 1.00 0.00 H new ATOM 0 HG CYS A 42 1.516 -7.749 3.628 1.00 0.00 H new ATOM 692 N LEU A 43 -0.527 -2.848 1.532 1.00 0.00 N ATOM 693 CA LEU A 43 -0.418 -1.503 0.993 1.00 0.00 C ATOM 694 C LEU A 43 0.176 -0.626 2.085 1.00 0.00 C ATOM 695 O LEU A 43 -0.542 -0.044 2.898 1.00 0.00 O ATOM 696 CB LEU A 43 -1.797 -0.978 0.538 1.00 0.00 C ATOM 697 CG LEU A 43 -1.801 0.248 -0.406 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.223 1.479 0.268 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.045 -0.045 -1.695 1.00 0.00 C ATOM 0 H LEU A 43 -1.444 -3.074 1.918 1.00 0.00 H new ATOM 0 HA LEU A 43 0.223 -1.493 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.323 -1.792 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.374 -0.724 1.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.843 0.454 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.243 2.318 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.816 1.724 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.194 1.281 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.066 0.836 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.011 -0.299 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.516 -0.882 -2.211 1.00 0.00 H new ATOM 711 N SER A 44 1.489 -0.575 2.120 1.00 0.00 N ATOM 712 CA SER A 44 2.193 0.150 3.154 1.00 0.00 C ATOM 713 C SER A 44 2.329 1.617 2.773 1.00 0.00 C ATOM 714 O SER A 44 3.062 1.964 1.848 1.00 0.00 O ATOM 715 CB SER A 44 3.564 -0.487 3.369 1.00 0.00 C ATOM 716 OG SER A 44 3.442 -1.888 3.568 1.00 0.00 O ATOM 0 H SER A 44 2.095 -1.031 1.438 1.00 0.00 H new ATOM 0 HA SER A 44 1.628 0.099 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.200 -0.292 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.050 -0.033 4.233 1.00 0.00 H new ATOM 0 HG SER A 44 4.331 -2.278 3.703 1.00 0.00 H new ATOM 722 N VAL A 45 1.591 2.470 3.461 1.00 0.00 N ATOM 723 CA VAL A 45 1.661 3.898 3.212 1.00 0.00 C ATOM 724 C VAL A 45 2.379 4.610 4.357 1.00 0.00 C ATOM 725 O VAL A 45 2.020 4.466 5.526 1.00 0.00 O ATOM 726 CB VAL A 45 0.256 4.506 2.983 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.659 4.256 4.170 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.346 5.996 2.680 1.00 0.00 C ATOM 0 H VAL A 45 0.937 2.199 4.195 1.00 0.00 H new ATOM 0 HA VAL A 45 2.236 4.046 2.298 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.177 4.006 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.637 4.696 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.769 3.183 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.229 4.709 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.656 6.397 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.816 6.510 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.943 6.149 1.781 1.00 0.00 H new ATOM 738 N SER A 46 3.419 5.346 4.014 1.00 0.00 N ATOM 739 CA SER A 46 4.172 6.104 4.989 1.00 0.00 C ATOM 740 C SER A 46 3.441 7.390 5.329 1.00 0.00 C ATOM 741 O SER A 46 3.024 8.141 4.439 1.00 0.00 O ATOM 742 CB SER A 46 5.573 6.402 4.465 1.00 0.00 C ATOM 743 OG SER A 46 6.260 7.314 5.303 1.00 0.00 O ATOM 0 H SER A 46 3.762 5.434 3.058 1.00 0.00 H new ATOM 0 HA SER A 46 4.268 5.510 5.898 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.140 5.474 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.506 6.813 3.458 1.00 0.00 H new ATOM 0 HG SER A 46 6.736 7.970 4.752 1.00 0.00 H new ATOM 749 N ASP A 47 3.281 7.633 6.617 1.00 0.00 N ATOM 750 CA ASP A 47 2.542 8.791 7.086 1.00 0.00 C ATOM 751 C ASP A 47 3.274 9.485 8.218 1.00 0.00 C ATOM 752 O ASP A 47 3.468 8.909 9.291 1.00 0.00 O ATOM 753 CB ASP A 47 1.157 8.378 7.579 1.00 0.00 C ATOM 754 CG ASP A 47 0.036 9.071 6.827 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.325 9.804 5.863 1.00 0.00 O ATOM 756 OD2 ASP A 47 -1.140 8.897 7.220 1.00 0.00 O ATOM 0 H ASP A 47 3.654 7.042 7.359 1.00 0.00 H new ATOM 0 HA ASP A 47 2.446 9.478 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.046 7.299 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.071 8.606 8.641 1.00 0.00 H new ATOM 761 N PHE A 48 3.693 10.712 7.978 1.00 0.00 N ATOM 762 CA PHE A 48 4.213 11.544 9.043 1.00 0.00 C ATOM 763 C PHE A 48 3.053 12.202 9.763 1.00 0.00 C ATOM 764 O PHE A 48 2.661 13.328 9.453 1.00 0.00 O ATOM 765 CB PHE A 48 5.152 12.606 8.498 1.00 0.00 C ATOM 766 CG PHE A 48 5.785 13.463 9.563 1.00 0.00 C ATOM 767 CD1 PHE A 48 6.666 12.915 10.483 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.502 14.817 9.639 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.248 13.700 11.459 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.081 15.608 10.613 1.00 0.00 C ATOM 771 CZ PHE A 48 6.955 15.047 11.524 1.00 0.00 C ATOM 0 H PHE A 48 3.683 11.153 7.058 1.00 0.00 H new ATOM 0 HA PHE A 48 4.779 10.920 9.735 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.939 12.120 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.601 13.246 7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.900 11.862 10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.820 15.260 8.928 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.931 13.260 12.170 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.851 16.662 10.662 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.409 15.662 12.287 1.00 0.00 H new ATOM 781 N ASP A 49 2.487 11.471 10.696 1.00 0.00 N ATOM 782 CA ASP A 49 1.377 11.970 11.490 1.00 0.00 C ATOM 783 C ASP A 49 1.889 13.029 12.444 1.00 0.00 C ATOM 784 O ASP A 49 2.617 12.718 13.390 1.00 0.00 O ATOM 785 CB ASP A 49 0.697 10.843 12.281 1.00 0.00 C ATOM 786 CG ASP A 49 -0.045 9.851 11.404 1.00 0.00 C ATOM 787 OD1 ASP A 49 -1.183 10.143 10.990 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.493 8.750 11.156 1.00 0.00 O ATOM 0 H ASP A 49 2.777 10.521 10.928 1.00 0.00 H new ATOM 0 HA ASP A 49 0.634 12.396 10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.451 10.311 12.861 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.003 11.281 12.993 1.00 0.00 H new ATOM 793 N ASN A 50 1.508 14.274 12.192 1.00 0.00 N ATOM 794 CA ASN A 50 2.042 15.414 12.930 1.00 0.00 C ATOM 795 C ASN A 50 1.447 15.469 14.336 1.00 0.00 C ATOM 796 O ASN A 50 0.593 16.309 14.637 1.00 0.00 O ATOM 797 CB ASN A 50 1.749 16.716 12.180 1.00 0.00 C ATOM 798 CG ASN A 50 2.662 17.853 12.605 1.00 0.00 C ATOM 799 OD1 ASN A 50 3.175 17.879 13.725 1.00 0.00 O ATOM 800 ND2 ASN A 50 2.872 18.804 11.708 1.00 0.00 N ATOM 0 H ASN A 50 0.825 14.523 11.476 1.00 0.00 H new ATOM 0 HA ASN A 50 3.122 15.294 13.016 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.860 16.547 11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.712 17.004 12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.477 19.594 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.429 18.747 10.791 1.00 0.00 H new ATOM 807 N ALA A 51 1.910 14.555 15.175 1.00 0.00 N ATOM 808 CA ALA A 51 1.459 14.420 16.549 1.00 0.00 C ATOM 809 C ALA A 51 2.247 13.305 17.220 1.00 0.00 C ATOM 810 O ALA A 51 2.584 13.382 18.402 1.00 0.00 O ATOM 811 CB ALA A 51 -0.024 14.104 16.594 1.00 0.00 C ATOM 0 H ALA A 51 2.623 13.874 14.914 1.00 0.00 H new ATOM 0 HA ALA A 51 1.624 15.360 17.076 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.344 14.006 17.631 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.582 14.909 16.116 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.213 13.169 16.067 1.00 0.00 H new ATOM 817 N LYS A 52 2.543 12.265 16.442 1.00 0.00 N ATOM 818 CA LYS A 52 3.294 11.120 16.939 1.00 0.00 C ATOM 819 C LYS A 52 4.564 10.909 16.117 1.00 0.00 C ATOM 820 O LYS A 52 5.596 10.498 16.652 1.00 0.00 O ATOM 821 CB LYS A 52 2.429 9.854 16.908 1.00 0.00 C ATOM 822 CG LYS A 52 1.216 9.928 17.822 1.00 0.00 C ATOM 823 CD LYS A 52 0.395 8.644 17.786 1.00 0.00 C ATOM 824 CE LYS A 52 1.181 7.451 18.317 1.00 0.00 C ATOM 825 NZ LYS A 52 1.582 7.619 19.738 1.00 0.00 N ATOM 0 H LYS A 52 2.272 12.195 15.461 1.00 0.00 H new ATOM 0 HA LYS A 52 3.579 11.324 17.971 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.094 9.677 15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.040 8.998 17.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.543 10.121 18.844 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.588 10.768 17.524 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.510 8.775 18.379 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.079 8.444 16.762 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.577 6.549 18.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.072 7.307 17.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.946 6.716 20.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.324 8.344 19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.757 7.914 20.299 1.00 0.00 H new ATOM 839 N GLY A 53 4.487 11.193 14.825 1.00 0.00 N ATOM 840 CA GLY A 53 5.646 11.055 13.967 1.00 0.00 C ATOM 841 C GLY A 53 5.402 10.119 12.805 1.00 0.00 C ATOM 842 O GLY A 53 4.280 10.015 12.308 1.00 0.00 O ATOM 0 H GLY A 53 3.642 11.517 14.355 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.929 12.036 13.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.487 10.687 14.555 1.00 0.00 H new ATOM 846 N LEU A 54 6.455 9.434 12.374 1.00 0.00 N ATOM 847 CA LEU A 54 6.382 8.540 11.222 1.00 0.00 C ATOM 848 C LEU A 54 5.674 7.236 11.566 1.00 0.00 C ATOM 849 O LEU A 54 6.159 6.447 12.379 1.00 0.00 O ATOM 850 CB LEU A 54 7.788 8.233 10.698 1.00 0.00 C ATOM 851 CG LEU A 54 8.531 9.421 10.081 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.953 9.029 9.724 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.800 9.927 8.846 1.00 0.00 C ATOM 0 H LEU A 54 7.377 9.481 12.808 1.00 0.00 H new ATOM 0 HA LEU A 54 5.805 9.050 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.386 7.839 11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.715 7.444 9.950 1.00 0.00 H new ATOM 0 HG LEU A 54 8.564 10.224 10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.467 9.885 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.479 8.710 10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.935 8.210 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.344 10.771 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.737 9.128 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.795 10.245 9.123 1.00 0.00 H new ATOM 865 N ASN A 55 4.527 7.013 10.950 1.00 0.00 N ATOM 866 CA ASN A 55 3.820 5.751 11.096 1.00 0.00 C ATOM 867 C ASN A 55 3.540 5.172 9.729 1.00 0.00 C ATOM 868 O ASN A 55 2.825 5.774 8.930 1.00 0.00 O ATOM 869 CB ASN A 55 2.490 5.917 11.833 1.00 0.00 C ATOM 870 CG ASN A 55 2.602 6.752 13.089 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.937 6.253 14.162 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.284 8.022 12.965 1.00 0.00 N ATOM 0 H ASN A 55 4.064 7.689 10.343 1.00 0.00 H new ATOM 0 HA ASN A 55 4.456 5.087 11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.766 6.378 11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.101 4.932 12.093 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.310 8.636 13.779 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.012 8.393 12.055 1.00 0.00 H new ATOM 879 N VAL A 56 4.099 4.015 9.455 1.00 0.00 N ATOM 880 CA VAL A 56 3.846 3.351 8.196 1.00 0.00 C ATOM 881 C VAL A 56 2.624 2.462 8.333 1.00 0.00 C ATOM 882 O VAL A 56 2.666 1.415 8.976 1.00 0.00 O ATOM 883 CB VAL A 56 5.059 2.533 7.716 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.713 1.767 6.454 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.247 3.450 7.475 1.00 0.00 C ATOM 0 H VAL A 56 4.729 3.516 10.083 1.00 0.00 H new ATOM 0 HA VAL A 56 3.663 4.116 7.441 1.00 0.00 H new ATOM 0 HB VAL A 56 5.326 1.815 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.580 1.194 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.885 1.088 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.425 2.468 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.099 2.860 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.990 4.187 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.506 3.961 8.402 1.00 0.00 H new ATOM 895 N LYS A 57 1.534 2.909 7.742 1.00 0.00 N ATOM 896 CA LYS A 57 0.261 2.229 7.862 1.00 0.00 C ATOM 897 C LYS A 57 0.168 1.108 6.838 1.00 0.00 C ATOM 898 O LYS A 57 -0.044 1.354 5.652 1.00 0.00 O ATOM 899 CB LYS A 57 -0.893 3.221 7.667 1.00 0.00 C ATOM 900 CG LYS A 57 -0.904 4.370 8.670 1.00 0.00 C ATOM 901 CD LYS A 57 -2.109 5.278 8.460 1.00 0.00 C ATOM 902 CE LYS A 57 -2.194 6.369 9.522 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.097 7.368 9.400 1.00 0.00 N ATOM 0 H LYS A 57 1.506 3.751 7.167 1.00 0.00 H new ATOM 0 HA LYS A 57 0.187 1.800 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.837 3.633 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.837 2.682 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.920 3.970 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.013 4.951 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.050 5.737 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.021 4.681 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.155 6.877 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.158 5.913 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.941 7.826 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.224 6.890 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.359 8.087 8.695 1.00 0.00 H new ATOM 917 N HIS A 58 0.368 -0.118 7.294 1.00 0.00 N ATOM 918 CA HIS A 58 0.248 -1.279 6.427 1.00 0.00 C ATOM 919 C HIS A 58 -1.217 -1.661 6.272 1.00 0.00 C ATOM 920 O HIS A 58 -1.775 -2.372 7.108 1.00 0.00 O ATOM 921 CB HIS A 58 1.041 -2.470 6.986 1.00 0.00 C ATOM 922 CG HIS A 58 2.532 -2.328 6.873 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.298 -3.300 6.273 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.344 -1.336 7.312 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.548 -2.879 6.364 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.625 -1.699 6.980 1.00 0.00 N ATOM 0 H HIS A 58 0.614 -0.335 8.260 1.00 0.00 H new ATOM 0 HA HIS A 58 0.661 -1.020 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.779 -2.605 8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.733 -3.375 6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.042 -0.434 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.401 -3.423 5.986 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.475 -1.167 7.169 1.00 0.00 H new ATOM 934 N TYR A 59 -1.845 -1.157 5.223 1.00 0.00 N ATOM 935 CA TYR A 59 -3.227 -1.499 4.935 1.00 0.00 C ATOM 936 C TYR A 59 -3.302 -2.885 4.316 1.00 0.00 C ATOM 937 O TYR A 59 -2.653 -3.168 3.309 1.00 0.00 O ATOM 938 CB TYR A 59 -3.870 -0.448 4.033 1.00 0.00 C ATOM 939 CG TYR A 59 -4.247 0.820 4.770 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.464 0.922 5.433 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.389 1.910 4.809 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.813 2.073 6.113 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.730 3.064 5.489 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.942 3.140 6.139 1.00 0.00 C ATOM 945 OH TYR A 59 -5.286 4.290 6.817 1.00 0.00 O ATOM 0 H TYR A 59 -1.420 -0.511 4.558 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.789 -1.513 5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.181 -0.200 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.762 -0.871 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.149 0.087 5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.438 1.856 4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.764 2.136 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.049 3.902 5.511 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.562 4.945 6.738 1.00 0.00 H new ATOM 955 N LYS A 60 -4.093 -3.744 4.936 1.00 0.00 N ATOM 956 CA LYS A 60 -4.120 -5.153 4.587 1.00 0.00 C ATOM 957 C LYS A 60 -5.123 -5.422 3.473 1.00 0.00 C ATOM 958 O LYS A 60 -6.335 -5.313 3.668 1.00 0.00 O ATOM 959 CB LYS A 60 -4.462 -5.983 5.830 1.00 0.00 C ATOM 960 CG LYS A 60 -3.667 -5.569 7.065 1.00 0.00 C ATOM 961 CD LYS A 60 -2.183 -5.867 6.914 1.00 0.00 C ATOM 962 CE LYS A 60 -1.853 -7.286 7.340 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.032 -7.477 8.805 1.00 0.00 N ATOM 0 H LYS A 60 -4.730 -3.487 5.690 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.134 -5.441 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.527 -5.887 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.273 -7.036 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.806 -4.503 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.055 -6.093 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.885 -5.719 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.607 -5.163 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.492 -7.986 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.824 -7.518 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.442 -8.271 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.749 -6.610 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.031 -7.684 9.009 1.00 0.00 H new ATOM 977 N ILE A 61 -4.604 -5.764 2.305 1.00 0.00 N ATOM 978 CA ILE A 61 -5.430 -6.084 1.154 1.00 0.00 C ATOM 979 C ILE A 61 -5.711 -7.580 1.121 1.00 0.00 C ATOM 980 O ILE A 61 -4.910 -8.365 0.607 1.00 0.00 O ATOM 981 CB ILE A 61 -4.744 -5.665 -0.163 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.336 -4.192 -0.107 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.670 -5.918 -1.346 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.600 -3.716 -1.340 1.00 0.00 C ATOM 0 H ILE A 61 -3.601 -5.827 2.129 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.364 -5.531 1.247 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.844 -6.267 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.229 -3.582 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.704 -4.032 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.173 -5.618 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.916 -6.979 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.585 -5.339 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.344 -2.663 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.688 -4.300 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.237 -3.842 -2.215 1.00 0.00 H new ATOM 996 N ARG A 62 -6.839 -7.970 1.687 1.00 0.00 N ATOM 997 CA ARG A 62 -7.208 -9.375 1.764 1.00 0.00 C ATOM 998 C ARG A 62 -8.052 -9.753 0.552 1.00 0.00 C ATOM 999 O ARG A 62 -8.662 -8.886 -0.081 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.974 -9.654 3.063 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.112 -11.134 3.384 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.867 -11.369 4.683 1.00 0.00 C ATOM 1003 NE ARG A 62 -10.271 -10.970 4.592 1.00 0.00 N ATOM 1004 CZ ARG A 62 -11.291 -11.765 4.918 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -11.067 -13.016 5.304 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -12.535 -11.308 4.847 1.00 0.00 N ATOM 0 H ARG A 62 -7.518 -7.332 2.102 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.303 -9.982 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.464 -9.158 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.968 -9.213 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.632 -11.635 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.121 -11.583 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.809 -12.425 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.385 -10.812 5.486 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.482 -10.029 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.112 -13.372 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.850 -13.621 5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.710 -10.350 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.316 -11.915 5.096 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.077 -11.039 0.218 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.832 -11.502 -0.936 1.00 0.00 C ATOM 1022 C LYS A 63 -10.189 -12.052 -0.548 1.00 0.00 C ATOM 1023 O LYS A 63 -10.367 -12.641 0.523 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.073 -12.575 -1.708 1.00 0.00 C ATOM 1025 CG LYS A 63 -6.839 -12.060 -2.412 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.320 -13.068 -3.424 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.048 -14.424 -2.794 1.00 0.00 C ATOM 1028 NZ LYS A 63 -5.770 -15.461 -3.821 1.00 0.00 N ATOM 0 H LYS A 63 -7.586 -11.773 0.728 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.974 -10.627 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.783 -13.369 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.741 -13.021 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.070 -11.122 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.062 -11.845 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.048 -13.182 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.403 -12.688 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.198 -14.346 -2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.907 -14.726 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.589 -16.372 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.591 -15.553 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.935 -15.185 -4.376 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.131 -11.855 -1.446 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.470 -12.407 -1.316 1.00 0.00 C ATOM 1044 C LEU A 64 -12.715 -13.396 -2.444 1.00 0.00 C ATOM 1045 O LEU A 64 -12.471 -13.085 -3.612 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.517 -11.294 -1.377 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.409 -10.230 -0.287 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.406 -9.114 -0.544 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -13.637 -10.846 1.087 1.00 0.00 C ATOM 0 H LEU A 64 -10.992 -11.304 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.553 -12.912 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.444 -10.804 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.507 -11.747 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.403 -9.810 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.320 -8.361 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.198 -8.656 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.417 -9.522 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.556 -10.072 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.631 -11.291 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.887 -11.616 1.270 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.195 -14.584 -2.100 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.430 -15.625 -3.093 1.00 0.00 C ATOM 1063 C ASP A 65 -14.646 -15.283 -3.947 1.00 0.00 C ATOM 1064 O ASP A 65 -14.781 -15.757 -5.072 1.00 0.00 O ATOM 1065 CB ASP A 65 -13.623 -16.989 -2.419 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.959 -17.115 -1.721 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -15.124 -16.537 -0.625 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -15.856 -17.792 -2.267 1.00 0.00 O ATOM 0 H ASP A 65 -13.429 -14.851 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.553 -15.681 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.535 -17.775 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.824 -17.148 -1.695 1.00 0.00 H new ATOM 1073 N SER A 66 -15.518 -14.443 -3.406 1.00 0.00 N ATOM 1074 CA SER A 66 -16.702 -13.998 -4.124 1.00 0.00 C ATOM 1075 C SER A 66 -16.626 -12.501 -4.420 1.00 0.00 C ATOM 1076 O SER A 66 -17.645 -11.811 -4.485 1.00 0.00 O ATOM 1077 CB SER A 66 -17.956 -14.333 -3.311 1.00 0.00 C ATOM 1078 OG SER A 66 -17.757 -14.051 -1.934 1.00 0.00 O ATOM 0 H SER A 66 -15.426 -14.055 -2.467 1.00 0.00 H new ATOM 0 HA SER A 66 -16.754 -14.521 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.802 -13.757 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.206 -15.386 -3.438 1.00 0.00 H new ATOM 0 HG SER A 66 -18.571 -14.271 -1.434 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.406 -12.003 -4.602 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.212 -10.596 -4.892 1.00 0.00 C ATOM 1086 C GLY A 67 -13.858 -10.318 -5.521 1.00 0.00 C ATOM 1087 O GLY A 67 -13.696 -10.427 -6.733 1.00 0.00 O ATOM 0 H GLY A 67 -14.547 -12.552 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.999 -10.254 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.307 -10.021 -3.971 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.885 -9.971 -4.694 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.554 -9.686 -5.192 1.00 0.00 C ATOM 1093 C GLY A 68 -10.647 -9.161 -4.103 1.00 0.00 C ATOM 1094 O GLY A 68 -10.623 -9.701 -3.001 1.00 0.00 O ATOM 0 H GLY A 68 -12.992 -9.881 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.124 -10.592 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.616 -8.954 -5.997 1.00 0.00 H new ATOM 1098 N PHE A 69 -9.918 -8.101 -4.406 1.00 0.00 N ATOM 1099 CA PHE A 69 -8.997 -7.499 -3.457 1.00 0.00 C ATOM 1100 C PHE A 69 -9.642 -6.281 -2.807 1.00 0.00 C ATOM 1101 O PHE A 69 -10.288 -5.481 -3.490 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.710 -7.067 -4.167 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.033 -8.161 -4.946 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.106 -8.990 -4.338 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.318 -8.350 -6.290 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.475 -9.988 -5.054 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.692 -9.348 -7.011 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.768 -10.169 -6.392 1.00 0.00 C ATOM 0 H PHE A 69 -9.947 -7.635 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.757 -8.238 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.942 -6.245 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.012 -6.681 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.874 -8.855 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.038 -7.710 -6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.753 -10.627 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.924 -9.487 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.276 -10.950 -6.953 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.479 -6.135 -1.499 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.014 -4.975 -0.804 1.00 0.00 C ATOM 1120 C TYR A 70 -9.078 -4.535 0.318 1.00 0.00 C ATOM 1121 O TYR A 70 -8.479 -5.361 1.010 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.413 -5.273 -0.241 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.420 -6.142 1.001 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.363 -7.526 0.914 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.491 -5.569 2.264 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.374 -8.312 2.050 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.501 -6.347 3.403 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.445 -7.717 3.292 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.461 -8.494 4.429 1.00 0.00 O ATOM 0 H TYR A 70 -8.985 -6.799 -0.903 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.096 -4.162 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.907 -4.329 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.005 -5.762 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.309 -7.996 -0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.539 -4.494 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.327 -9.388 1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.553 -5.883 4.377 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.513 -7.917 5.219 1.00 0.00 H new ATOM 1139 N ILE A 71 -8.941 -3.224 0.466 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.184 -2.645 1.569 1.00 0.00 C ATOM 1141 C ILE A 71 -9.089 -2.475 2.782 1.00 0.00 C ATOM 1142 O ILE A 71 -8.672 -2.646 3.928 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.590 -1.268 1.182 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.556 -1.421 0.066 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.971 -0.587 2.394 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.915 -0.113 -0.349 1.00 0.00 C ATOM 0 H ILE A 71 -9.347 -2.537 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.364 -3.323 1.805 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.401 -0.640 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.778 -2.109 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.035 -1.873 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.560 0.378 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.735 -0.438 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.174 -1.213 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.193 -0.298 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.684 0.571 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.407 0.331 0.507 1.00 0.00 H new ATOM 1158 N THR A 72 -10.339 -2.150 2.508 1.00 0.00 N ATOM 1159 CA THR A 72 -11.323 -1.901 3.542 1.00 0.00 C ATOM 1160 C THR A 72 -12.680 -2.428 3.089 1.00 0.00 C ATOM 1161 O THR A 72 -12.903 -2.630 1.893 1.00 0.00 O ATOM 1162 CB THR A 72 -11.407 -0.388 3.858 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.402 -0.136 4.857 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.720 0.420 2.607 1.00 0.00 C ATOM 0 H THR A 72 -10.700 -2.051 1.559 1.00 0.00 H new ATOM 0 HA THR A 72 -11.024 -2.420 4.452 1.00 0.00 H new ATOM 0 HB THR A 72 -10.433 -0.077 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.440 0.825 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.773 1.479 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.935 0.263 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.677 0.098 2.196 1.00 0.00 H new ATOM 1172 N SER A 73 -13.578 -2.660 4.042 1.00 0.00 N ATOM 1173 CA SER A 73 -14.905 -3.190 3.747 1.00 0.00 C ATOM 1174 C SER A 73 -15.803 -2.103 3.156 1.00 0.00 C ATOM 1175 O SER A 73 -16.877 -1.798 3.681 1.00 0.00 O ATOM 1176 CB SER A 73 -15.523 -3.766 5.022 1.00 0.00 C ATOM 1177 OG SER A 73 -14.634 -4.686 5.639 1.00 0.00 O ATOM 0 H SER A 73 -13.408 -2.487 5.033 1.00 0.00 H new ATOM 0 HA SER A 73 -14.812 -3.985 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.758 -2.958 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.463 -4.264 4.784 1.00 0.00 H new ATOM 0 HG SER A 73 -15.046 -5.043 6.454 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.343 -1.527 2.057 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.041 -0.441 1.396 1.00 0.00 C ATOM 1185 C ARG A 74 -16.162 -0.737 -0.093 1.00 0.00 C ATOM 1186 O ARG A 74 -17.261 -0.929 -0.614 1.00 0.00 O ATOM 1187 CB ARG A 74 -15.284 0.872 1.613 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.132 1.258 3.078 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.243 2.182 3.544 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.781 3.567 3.639 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.565 4.605 3.929 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -17.876 4.442 4.065 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -16.027 5.813 4.058 1.00 0.00 N ATOM 0 H ARG A 74 -14.474 -1.801 1.599 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.041 -0.346 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.294 0.788 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.805 1.672 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.129 0.357 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.169 1.747 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.082 2.123 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.609 1.852 4.516 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.792 3.751 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.290 3.517 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.469 5.242 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.022 5.940 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.619 6.614 4.280 1.00 0.00 H new ATOM 1207 N THR A 75 -15.021 -0.798 -0.765 1.00 0.00 N ATOM 1208 CA THR A 75 -14.987 -1.044 -2.194 1.00 0.00 C ATOM 1209 C THR A 75 -13.923 -2.091 -2.538 1.00 0.00 C ATOM 1210 O THR A 75 -12.750 -1.928 -2.199 1.00 0.00 O ATOM 1211 CB THR A 75 -14.692 0.265 -2.955 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.567 1.308 -2.495 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.880 0.075 -4.452 1.00 0.00 C ATOM 0 H THR A 75 -14.103 -0.679 -0.337 1.00 0.00 H new ATOM 0 HA THR A 75 -15.963 -1.423 -2.497 1.00 0.00 H new ATOM 0 HB THR A 75 -13.656 0.543 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.179 1.735 -1.703 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.666 1.011 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.200 -0.699 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.908 -0.224 -4.654 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.335 -3.173 -3.190 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.407 -4.230 -3.574 1.00 0.00 C ATOM 1223 C GLN A 76 -13.307 -4.339 -5.093 1.00 0.00 C ATOM 1224 O GLN A 76 -14.297 -4.155 -5.803 1.00 0.00 O ATOM 1225 CB GLN A 76 -13.820 -5.586 -2.976 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.214 -6.063 -3.377 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.320 -5.395 -2.589 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.047 -5.080 -1.336 1.00 0.00 O flip ATOM 1229 NE2 GLN A 76 -17.422 -5.184 -3.098 1.00 0.00 N flip ATOM 0 H GLN A 76 -15.303 -3.341 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.429 -3.964 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.092 -6.338 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.773 -5.518 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.366 -5.871 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.277 -7.142 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -17.593 -5.442 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -18.164 -4.751 -2.548 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.115 -4.641 -5.586 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.882 -4.764 -7.020 1.00 0.00 C ATOM 1240 C PHE A 77 -11.218 -6.096 -7.333 1.00 0.00 C ATOM 1241 O PHE A 77 -10.430 -6.603 -6.543 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.998 -3.623 -7.527 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.643 -2.268 -7.450 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.542 -1.860 -8.419 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.341 -1.404 -6.411 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -13.131 -0.612 -8.354 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.928 -0.158 -6.338 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.825 0.239 -7.313 1.00 0.00 C ATOM 0 H PHE A 77 -11.289 -4.807 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.847 -4.712 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.075 -3.608 -6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.722 -3.824 -8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.786 -2.524 -9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.638 -1.709 -5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.830 -0.303 -9.117 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.688 0.506 -5.521 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.285 1.215 -7.259 1.00 0.00 H new ATOM 1258 N SER A 78 -11.526 -6.652 -8.494 1.00 0.00 N ATOM 1259 CA SER A 78 -10.962 -7.932 -8.908 1.00 0.00 C ATOM 1260 C SER A 78 -9.578 -7.748 -9.535 1.00 0.00 C ATOM 1261 O SER A 78 -9.017 -8.673 -10.120 1.00 0.00 O ATOM 1262 CB SER A 78 -11.912 -8.619 -9.892 1.00 0.00 C ATOM 1263 OG SER A 78 -12.311 -7.726 -10.920 1.00 0.00 O ATOM 0 H SER A 78 -12.166 -6.237 -9.171 1.00 0.00 H new ATOM 0 HA SER A 78 -10.844 -8.562 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.421 -9.488 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.791 -8.984 -9.360 1.00 0.00 H new ATOM 0 HG SER A 78 -12.916 -8.187 -11.538 1.00 0.00 H new ATOM 1269 N SER A 79 -9.035 -6.546 -9.408 1.00 0.00 N ATOM 1270 CA SER A 79 -7.720 -6.233 -9.939 1.00 0.00 C ATOM 1271 C SER A 79 -7.046 -5.184 -9.062 1.00 0.00 C ATOM 1272 O SER A 79 -7.667 -4.197 -8.661 1.00 0.00 O ATOM 1273 CB SER A 79 -7.843 -5.722 -11.377 1.00 0.00 C ATOM 1274 OG SER A 79 -8.527 -6.658 -12.194 1.00 0.00 O ATOM 0 H SER A 79 -9.492 -5.765 -8.936 1.00 0.00 H new ATOM 0 HA SER A 79 -7.111 -7.137 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.375 -4.771 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.850 -5.535 -11.786 1.00 0.00 H new ATOM 0 HG SER A 79 -8.594 -6.308 -13.107 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.770 -5.418 -8.765 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.995 -4.542 -7.893 1.00 0.00 C ATOM 1282 C LEU A 80 -4.847 -3.147 -8.486 1.00 0.00 C ATOM 1283 O LEU A 80 -4.836 -2.162 -7.754 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.612 -5.142 -7.627 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.597 -6.384 -6.731 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.196 -6.970 -6.654 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.100 -6.037 -5.339 1.00 0.00 C ATOM 0 H LEU A 80 -5.246 -6.218 -9.121 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.538 -4.454 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.156 -5.399 -8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.984 -4.377 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.261 -7.131 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.205 -7.852 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.864 -7.251 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.513 -6.228 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.084 -6.929 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.457 -5.274 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.120 -5.658 -5.405 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.730 -3.062 -9.810 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.628 -1.772 -10.488 1.00 0.00 C ATOM 1301 C GLN A 81 -5.881 -0.935 -10.252 1.00 0.00 C ATOM 1302 O GLN A 81 -5.794 0.251 -9.928 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.397 -1.966 -11.990 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.332 -0.664 -12.784 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.222 0.268 -12.324 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.092 0.195 -12.801 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.539 1.160 -11.398 1.00 0.00 N ATOM 0 H GLN A 81 -4.704 -3.869 -10.433 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.773 -1.240 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.466 -2.515 -12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.199 -2.585 -12.393 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.187 -0.897 -13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.288 -0.148 -12.700 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.488 1.192 -11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.835 1.815 -11.059 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.042 -1.565 -10.404 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.318 -0.892 -10.186 1.00 0.00 C ATOM 1318 C GLN A 82 -8.410 -0.415 -8.744 1.00 0.00 C ATOM 1319 O GLN A 82 -8.914 0.674 -8.464 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.480 -1.840 -10.496 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.467 -2.394 -11.911 1.00 0.00 C ATOM 1322 CD GLN A 82 -9.551 -1.310 -12.966 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -8.534 -0.809 -13.440 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.765 -0.935 -13.324 1.00 0.00 N ATOM 0 H GLN A 82 -7.125 -2.544 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.380 -0.033 -10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.455 -2.671 -9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.419 -1.312 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.555 -2.972 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.304 -3.081 -12.035 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.581 -1.380 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.887 -0.201 -14.021 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.902 -1.249 -7.845 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.881 -0.959 -6.419 1.00 0.00 C ATOM 1335 C LEU A 83 -7.118 0.338 -6.134 1.00 0.00 C ATOM 1336 O LEU A 83 -7.703 1.323 -5.674 1.00 0.00 O ATOM 1337 CB LEU A 83 -7.256 -2.166 -5.684 1.00 0.00 C ATOM 1338 CG LEU A 83 -7.172 -2.104 -4.151 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.995 -1.254 -3.700 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.472 -1.582 -3.559 1.00 0.00 C ATOM 0 H LEU A 83 -7.491 -2.150 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.897 -0.806 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.827 -3.055 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.246 -2.307 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.013 -3.118 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.961 -1.228 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.069 -1.683 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.110 -0.240 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.389 -1.547 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.669 -0.580 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.291 -2.244 -3.839 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.822 0.343 -6.431 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.967 1.482 -6.104 1.00 0.00 C ATOM 1354 C VAL A 84 -5.379 2.749 -6.844 1.00 0.00 C ATOM 1355 O VAL A 84 -5.458 3.820 -6.249 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.480 1.194 -6.395 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.856 0.400 -5.259 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.322 0.445 -7.705 1.00 0.00 C ATOM 0 H VAL A 84 -5.341 -0.426 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.097 1.643 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.962 2.149 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.807 0.207 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.930 0.970 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.383 -0.547 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.265 0.253 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.859 -0.502 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.729 1.045 -8.519 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.645 2.619 -8.137 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.033 3.759 -8.965 1.00 0.00 C ATOM 1370 C ALA A 85 -7.280 4.455 -8.427 1.00 0.00 C ATOM 1371 O ALA A 85 -7.420 5.673 -8.543 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.258 3.319 -10.403 1.00 0.00 C ATOM 0 H ALA A 85 -5.600 1.732 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.214 4.477 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.546 4.180 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.338 2.889 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.051 2.572 -10.435 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.187 3.688 -7.840 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.405 4.256 -7.285 1.00 0.00 C ATOM 1380 C TYR A 86 -9.122 4.911 -5.939 1.00 0.00 C ATOM 1381 O TYR A 86 -9.531 6.043 -5.691 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.482 3.177 -7.141 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.800 3.690 -6.600 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.593 4.552 -7.344 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.254 3.301 -5.346 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.799 5.014 -6.855 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.457 3.759 -4.849 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.226 4.616 -5.606 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.427 5.072 -5.109 1.00 0.00 O ATOM 0 H TYR A 86 -8.103 2.677 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.773 5.020 -7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.655 2.718 -8.115 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.110 2.393 -6.481 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.261 4.867 -8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.655 2.629 -4.750 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.404 5.684 -7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.794 3.447 -3.871 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.577 4.694 -4.217 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.386 4.202 -5.091 1.00 0.00 N ATOM 1400 CA TYR A 87 -8.060 4.685 -3.753 1.00 0.00 C ATOM 1401 C TYR A 87 -7.020 5.805 -3.801 1.00 0.00 C ATOM 1402 O TYR A 87 -6.710 6.432 -2.785 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.567 3.526 -2.881 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.672 2.614 -2.381 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.636 2.094 -3.239 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.752 2.281 -1.039 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.642 1.268 -2.766 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.751 1.458 -0.559 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.693 0.955 -1.425 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.690 0.137 -0.942 1.00 0.00 O ATOM 0 H TYR A 87 -8.001 3.283 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.967 5.099 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.852 2.934 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.030 3.933 -2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.599 2.338 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -8.016 2.674 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.383 0.871 -3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.792 1.211 0.491 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.989 -0.469 -1.652 1.00 0.00 H new ATOM 1420 N SER A 88 -6.479 6.050 -4.988 1.00 0.00 N ATOM 1421 CA SER A 88 -5.563 7.161 -5.206 1.00 0.00 C ATOM 1422 C SER A 88 -6.341 8.477 -5.237 1.00 0.00 C ATOM 1423 O SER A 88 -5.769 9.562 -5.111 1.00 0.00 O ATOM 1424 CB SER A 88 -4.798 6.958 -6.520 1.00 0.00 C ATOM 1425 OG SER A 88 -3.806 7.955 -6.714 1.00 0.00 O ATOM 0 H SER A 88 -6.661 5.489 -5.820 1.00 0.00 H new ATOM 0 HA SER A 88 -4.844 7.200 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.329 5.974 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.499 6.976 -7.355 1.00 0.00 H new ATOM 0 HG SER A 88 -3.493 8.278 -5.844 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.654 8.370 -5.398 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.523 9.536 -5.454 1.00 0.00 C ATOM 1433 C LYS A 89 -9.554 9.460 -4.335 1.00 0.00 C ATOM 1434 O LYS A 89 -9.726 10.403 -3.562 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.201 9.616 -6.833 1.00 0.00 C ATOM 1436 CG LYS A 89 -9.970 10.907 -7.093 1.00 0.00 C ATOM 1437 CD LYS A 89 -11.371 10.873 -6.502 1.00 0.00 C ATOM 1438 CE LYS A 89 -12.138 12.142 -6.831 1.00 0.00 C ATOM 1439 NZ LYS A 89 -13.535 12.100 -6.325 1.00 0.00 N ATOM 0 H LYS A 89 -8.142 7.479 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.933 10.442 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.439 9.502 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.886 8.775 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.420 11.747 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.035 11.078 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.911 10.008 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.309 10.753 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.622 12.999 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.149 12.289 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.020 12.986 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.037 11.298 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.527 11.987 -5.291 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.233 8.324 -4.253 1.00 0.00 N ATOM 1454 CA HIS A 90 -11.223 8.091 -3.218 1.00 0.00 C ATOM 1455 C HIS A 90 -10.627 7.172 -2.156 1.00 0.00 C ATOM 1456 O HIS A 90 -10.446 5.981 -2.394 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.474 7.458 -3.835 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.729 7.724 -3.064 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.308 6.808 -2.218 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -14.543 8.802 -3.059 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.420 7.311 -1.721 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -15.590 8.523 -2.214 1.00 0.00 N ATOM 0 H HIS A 90 -10.112 7.544 -4.899 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.506 9.036 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.596 7.834 -4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.326 6.381 -3.909 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.935 5.882 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.398 9.715 -3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.081 6.814 -1.026 1.00 0.00 H new ATOM 1471 N ALA A 91 -10.313 7.738 -0.995 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.601 7.012 0.054 1.00 0.00 C ATOM 1473 C ALA A 91 -10.406 5.831 0.592 1.00 0.00 C ATOM 1474 O ALA A 91 -9.836 4.777 0.883 1.00 0.00 O ATOM 1475 CB ALA A 91 -9.229 7.954 1.189 1.00 0.00 C ATOM 0 H ALA A 91 -10.541 8.703 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.693 6.608 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.699 7.399 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.587 8.748 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.134 8.391 1.611 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.724 6.022 0.730 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.642 4.975 1.211 1.00 0.00 C ATOM 1483 C ASP A 92 -12.394 4.608 2.675 1.00 0.00 C ATOM 1484 O ASP A 92 -13.254 4.836 3.531 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.567 3.714 0.336 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.607 3.699 -0.766 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -13.462 4.469 -1.736 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.579 2.926 -0.661 1.00 0.00 O ATOM 0 H ASP A 92 -12.186 6.905 0.512 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.645 5.396 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.574 3.644 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.698 2.833 0.965 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.231 4.037 2.958 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.920 3.595 4.306 1.00 0.00 C ATOM 1495 C GLY A 93 -9.621 4.175 4.834 1.00 0.00 C ATOM 1496 O GLY A 93 -9.471 4.365 6.042 1.00 0.00 O ATOM 0 H GLY A 93 -10.492 3.871 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.735 3.877 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.858 2.507 4.321 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.671 4.428 3.938 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.392 5.011 4.323 1.00 0.00 C ATOM 1502 C LEU A 94 -7.571 6.420 4.862 1.00 0.00 C ATOM 1503 O LEU A 94 -8.468 7.154 4.447 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.427 5.044 3.135 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.066 3.678 2.555 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.104 3.224 1.554 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.688 3.710 1.919 1.00 0.00 C ATOM 0 H LEU A 94 -8.764 4.238 2.940 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.974 4.382 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.869 5.652 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.509 5.543 3.446 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.048 2.959 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.823 2.249 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.075 3.150 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.163 3.945 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.452 2.727 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.675 4.447 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.946 3.979 2.671 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.705 6.790 5.793 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.750 8.111 6.401 1.00 0.00 C ATOM 1521 C CYS A 95 -6.137 9.156 5.478 1.00 0.00 C ATOM 1522 O CYS A 95 -6.191 10.353 5.762 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.008 8.096 7.738 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.635 6.871 8.908 1.00 0.00 S ATOM 0 H CYS A 95 -5.959 6.190 6.145 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.794 8.374 6.571 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.951 7.901 7.554 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.076 9.085 8.191 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.946 6.930 10.009 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.550 8.697 4.379 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.943 9.588 3.404 1.00 0.00 C ATOM 1532 C HIS A 96 -4.970 8.931 2.024 1.00 0.00 C ATOM 1533 O HIS A 96 -4.840 7.713 1.910 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.507 9.916 3.828 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.853 10.981 3.004 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -1.798 10.885 2.166 1.00 0.00 N flip ATOM 1537 CD2 HIS A 96 -3.288 12.284 3.028 1.00 0.00 C flip ATOM 1538 CE1 HIS A 96 -1.567 12.140 1.663 1.00 0.00 C flip ATOM 1539 NE2 HIS A 96 -2.487 12.947 2.210 1.00 0.00 N flip ATOM 0 H HIS A 96 -5.483 7.707 4.142 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.507 10.520 3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.511 10.231 4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.907 9.008 3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -4.114 12.685 3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.795 12.423 0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.560 13.946 2.020 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.166 9.741 0.986 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.232 9.243 -0.389 1.00 0.00 C ATOM 1549 C ARG A 97 -3.877 8.713 -0.841 1.00 0.00 C ATOM 1550 O ARG A 97 -2.836 9.254 -0.460 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.646 10.364 -1.347 1.00 0.00 C ATOM 1552 CG ARG A 97 -7.037 10.932 -1.119 1.00 0.00 C ATOM 1553 CD ARG A 97 -7.279 12.104 -2.055 1.00 0.00 C ATOM 1554 NE ARG A 97 -8.615 12.684 -1.917 1.00 0.00 N ATOM 1555 CZ ARG A 97 -8.841 13.926 -1.480 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.840 14.655 -0.994 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -10.069 14.425 -1.500 1.00 0.00 N ATOM 0 H ARG A 97 -5.283 10.751 1.070 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.969 8.440 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.922 11.175 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.588 9.987 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.787 10.159 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.142 11.255 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.533 12.875 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.137 11.774 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.418 12.108 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.898 14.266 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.015 15.603 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.843 13.860 -1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.240 15.374 -1.166 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.892 7.668 -1.665 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.669 7.171 -2.283 1.00 0.00 C ATOM 1573 C LEU A 98 -2.116 8.243 -3.221 1.00 0.00 C ATOM 1574 O LEU A 98 -2.547 8.360 -4.367 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.936 5.873 -3.058 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.471 4.710 -2.218 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.704 3.486 -3.089 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.505 4.387 -1.090 1.00 0.00 C ATOM 0 H LEU A 98 -4.735 7.152 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.939 6.950 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.650 6.084 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.009 5.558 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.425 5.006 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.084 2.670 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.431 3.725 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.764 3.185 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.898 3.558 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.538 4.109 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.386 5.262 -0.451 1.00 0.00 H new ATOM 1590 N THR A 99 -1.180 9.033 -2.719 1.00 0.00 N ATOM 1591 CA THR A 99 -0.709 10.203 -3.440 1.00 0.00 C ATOM 1592 C THR A 99 0.479 9.873 -4.339 1.00 0.00 C ATOM 1593 O THR A 99 0.413 10.032 -5.560 1.00 0.00 O ATOM 1594 CB THR A 99 -0.318 11.323 -2.454 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.399 11.566 -1.542 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.027 12.611 -3.189 1.00 0.00 C ATOM 0 H THR A 99 -0.732 8.884 -1.815 1.00 0.00 H new ATOM 0 HA THR A 99 -1.528 10.545 -4.072 1.00 0.00 H new ATOM 0 HB THR A 99 0.564 10.996 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.695 10.717 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.298 13.381 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.866 12.433 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.836 12.943 -3.766 1.00 0.00 H new ATOM 1604 N ASN A 100 1.560 9.407 -3.740 1.00 0.00 N ATOM 1605 CA ASN A 100 2.778 9.134 -4.482 1.00 0.00 C ATOM 1606 C ASN A 100 3.304 7.758 -4.125 1.00 0.00 C ATOM 1607 O ASN A 100 3.229 7.333 -2.975 1.00 0.00 O ATOM 1608 CB ASN A 100 3.837 10.207 -4.190 1.00 0.00 C ATOM 1609 CG ASN A 100 4.273 10.235 -2.736 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.641 10.880 -1.898 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.370 9.555 -2.430 1.00 0.00 N ATOM 0 H ASN A 100 1.620 9.210 -2.741 1.00 0.00 H new ATOM 0 HA ASN A 100 2.553 9.158 -5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.708 10.030 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.439 11.185 -4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.719 9.554 -1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.865 9.033 -3.153 1.00 0.00 H new ATOM 1618 N VAL A 101 3.812 7.050 -5.112 1.00 0.00 N ATOM 1619 CA VAL A 101 4.346 5.725 -4.872 1.00 0.00 C ATOM 1620 C VAL A 101 5.758 5.848 -4.312 1.00 0.00 C ATOM 1621 O VAL A 101 6.456 6.823 -4.595 1.00 0.00 O ATOM 1622 CB VAL A 101 4.363 4.865 -6.152 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.408 3.391 -5.787 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.157 5.160 -7.034 1.00 0.00 C ATOM 0 H VAL A 101 3.867 7.366 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 101 3.696 5.225 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 101 5.258 5.118 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.420 2.791 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.308 3.187 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.529 3.136 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.199 4.538 -7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.242 4.943 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.166 6.211 -7.323 1.00 0.00 H new ATOM 1634 N CYS A 102 6.154 4.881 -3.493 1.00 0.00 N ATOM 1635 CA CYS A 102 7.447 4.909 -2.822 1.00 0.00 C ATOM 1636 C CYS A 102 8.604 5.025 -3.809 1.00 0.00 C ATOM 1637 O CYS A 102 8.806 4.150 -4.653 1.00 0.00 O ATOM 1638 CB CYS A 102 7.622 3.653 -1.969 1.00 0.00 C ATOM 1639 SG CYS A 102 9.174 3.596 -1.047 1.00 0.00 S ATOM 0 H CYS A 102 5.590 4.059 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 102 7.464 5.794 -2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.792 3.586 -1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.564 2.777 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 102 10.104 4.202 -1.724 1.00 0.00 H new ATOM 1645 N PRO A 103 9.372 6.119 -3.713 1.00 0.00 N ATOM 1646 CA PRO A 103 10.585 6.307 -4.500 1.00 0.00 C ATOM 1647 C PRO A 103 11.719 5.447 -3.956 1.00 0.00 C ATOM 1648 O PRO A 103 11.793 5.202 -2.749 1.00 0.00 O ATOM 1649 CB PRO A 103 10.918 7.799 -4.332 1.00 0.00 C ATOM 1650 CG PRO A 103 9.779 8.395 -3.567 1.00 0.00 C ATOM 1651 CD PRO A 103 9.119 7.263 -2.834 1.00 0.00 C ATOM 0 HA PRO A 103 10.451 6.020 -5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 103 11.858 7.930 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.033 8.284 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.135 9.154 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.075 8.885 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.550 7.116 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.052 7.438 -2.694 1.00 0.00 H new ATOM 1659 N THR A 104 12.591 4.984 -4.834 1.00 0.00 N ATOM 1660 CA THR A 104 13.689 4.131 -4.417 1.00 0.00 C ATOM 1661 C THR A 104 14.806 4.142 -5.453 1.00 0.00 C ATOM 1662 O THR A 104 14.646 4.666 -6.560 1.00 0.00 O ATOM 1663 CB THR A 104 13.208 2.679 -4.169 1.00 0.00 C ATOM 1664 OG1 THR A 104 14.277 1.868 -3.663 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.655 2.054 -5.443 1.00 0.00 C ATOM 0 H THR A 104 12.561 5.183 -5.834 1.00 0.00 H new ATOM 0 HA THR A 104 14.077 4.529 -3.479 1.00 0.00 H new ATOM 0 HB THR A 104 12.410 2.724 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.952 0.956 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.326 1.036 -5.236 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.810 2.643 -5.800 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.433 2.036 -6.207 1.00 0.00 H new ATOM 1673 N SER A 105 15.937 3.575 -5.074 1.00 0.00 N ATOM 1674 CA SER A 105 17.101 3.501 -5.934 1.00 0.00 C ATOM 1675 C SER A 105 18.094 2.516 -5.332 1.00 0.00 C ATOM 1676 O SER A 105 18.079 2.281 -4.121 1.00 0.00 O ATOM 1677 CB SER A 105 17.740 4.885 -6.082 1.00 0.00 C ATOM 1678 OG SER A 105 18.628 4.934 -7.189 1.00 0.00 O ATOM 0 H SER A 105 16.073 3.151 -4.156 1.00 0.00 H new ATOM 0 HA SER A 105 16.805 3.159 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.959 5.635 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.281 5.136 -5.170 1.00 0.00 H new ATOM 0 HG SER A 105 19.017 5.831 -7.257 1.00 0.00 H new ATOM 1684 N LYS A 106 18.945 1.936 -6.162 1.00 0.00 N ATOM 1685 CA LYS A 106 19.893 0.943 -5.684 1.00 0.00 C ATOM 1686 C LYS A 106 21.183 1.601 -5.202 1.00 0.00 C ATOM 1687 O LYS A 106 21.111 2.691 -4.596 1.00 0.00 O ATOM 1688 CB LYS A 106 20.201 -0.072 -6.785 1.00 0.00 C ATOM 1689 CG LYS A 106 20.690 0.556 -8.083 1.00 0.00 C ATOM 1690 CD LYS A 106 21.426 -0.452 -8.957 1.00 0.00 C ATOM 1691 CE LYS A 106 22.878 -0.644 -8.515 1.00 0.00 C ATOM 1692 NZ LYS A 106 22.996 -1.078 -7.098 1.00 0.00 N ATOM 1693 OXT LYS A 106 22.265 1.008 -5.406 1.00 0.00 O ATOM 0 H LYS A 106 18.999 2.133 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 106 19.439 0.424 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 106 20.957 -0.769 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 106 19.303 -0.655 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.841 0.962 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 106 21.352 1.392 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 106 20.907 -1.410 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 106 21.404 -0.116 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 106 23.354 -1.385 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 106 23.421 0.291 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 23.967 -1.403 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.774 -0.279 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 22.330 -1.856 -6.917 1.00 0.00 H new TER 1707 LYS A 106