USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 795 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 38 THR OG1 : rot 96:sc= 0.294 USER MOD Set 1.2: A 40 SER OG : rot 163:sc= 2.06 USER MOD Set 1.3: A 47 GLN : amide:sc= -0.975 K(o=0.57,f=-7.7!) USER MOD Set 1.4: A 58 MET CE :methyl 151:sc= -0.678 (180deg=-2.01!) USER MOD Set 1.5: A 98 THR OG1 : rot 88:sc= 0.0249 USER MOD Set 1.6: A 127 SER OG : rot -139:sc= -0.153 USER MOD Set 2.1: A 120 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 122 ASN : amide:sc= 0.0362 K(o=0.036,f=-4.5!) USER MOD Set 3.1: A 102 GLN :FLIP amide:sc= -0.213 F(o=-5.1,f=-4.2) USER MOD Set 3.2: A 119 HIS :FLIP no HD1:sc= -3.99! C(o=-4.4!,f=-4.2!) USER MOD Set 4.1: A 113 SER OG : rot 180:sc= 0.773 USER MOD Set 4.2: A 115 SER OG : rot 91:sc= 0.876 USER MOD Set 5.1: A 53 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.25) USER MOD Set 5.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 116 ASN : amide:sc=-0.000716 K(o=1.3,f=0.24) USER MOD Set 6.1: A 97 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 6.2: A 99 TYR OH : rot 180:sc= -0.649 USER MOD Set 7.1: A 91 SER OG : rot 180:sc= -1.44! USER MOD Set 7.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0915 X(o=-0.092,f=-0.2) USER MOD Single : A 41 ASN : amide:sc= -2.85! C(o=-2.8!,f=-2.5!) USER MOD Single : A 42 SER OG : rot -92:sc= 0.828 USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 1.42 (180deg=1.03) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.4! C(o=-2.6!,f=-1.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.1 X(o=-0.1,f=-0.5) USER MOD Single : A 61 SER OG : rot -70:sc= -0.027 USER MOD Single : A 62 GLN : amide:sc= 0.0904 X(o=0.09,f=0) USER MOD Single : A 63 SER OG : rot -96:sc= 1.36 USER MOD Single : A 67 SER OG : rot 31:sc= 0.0386 USER MOD Single : A 68 SER OG : rot 180:sc=-0.00256 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -0.106 (180deg=-0.517) USER MOD Single : A 70 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.3!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.13) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0213 (180deg=-0.171) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -81:sc= 1.16 USER MOD Single : A 110 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.21) USER MOD Single : A 118 SER OG : rot 180:sc= -0.13 USER MOD Single : A 124 MET CE :methyl 158:sc= -0.15 (180deg=-0.812) USER MOD Single : A 126 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.705 -1.791 11.461 1.00 0.00 N ATOM 24 CA LEU A 26 -6.369 -1.352 11.081 1.00 0.00 C ATOM 25 C LEU A 26 -6.449 -0.430 9.876 1.00 0.00 C ATOM 26 O LEU A 26 -6.133 -0.826 8.761 1.00 0.00 O ATOM 27 CB LEU A 26 -5.446 -2.535 10.757 1.00 0.00 C ATOM 28 CG LEU A 26 -5.034 -3.407 11.946 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.134 -4.393 12.301 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.732 -4.132 11.644 1.00 0.00 C ATOM 0 HA LEU A 26 -5.947 -0.819 11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.943 -3.168 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.543 -2.148 10.285 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.875 -2.760 12.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.818 -5.001 13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.040 -3.848 12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.334 -5.038 11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.452 -4.748 12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.864 -4.766 10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.946 -3.402 11.449 1.00 0.00 H new ATOM 42 N SER A 27 -6.885 0.792 10.094 1.00 0.00 N ATOM 43 CA SER A 27 -6.983 1.756 9.013 1.00 0.00 C ATOM 44 C SER A 27 -5.742 2.638 9.015 1.00 0.00 C ATOM 45 O SER A 27 -5.109 2.816 10.056 1.00 0.00 O ATOM 46 CB SER A 27 -8.245 2.599 9.182 1.00 0.00 C ATOM 47 OG SER A 27 -9.377 1.767 9.390 1.00 0.00 O ATOM 0 H SER A 27 -7.177 1.143 11.006 1.00 0.00 H new ATOM 0 HA SER A 27 -7.046 1.235 8.058 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.125 3.277 10.027 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.398 3.216 8.297 1.00 0.00 H new ATOM 0 HG SER A 27 -10.176 2.323 9.498 1.00 0.00 H new ATOM 53 N TRP A 28 -5.391 3.193 7.859 1.00 0.00 N ATOM 54 CA TRP A 28 -4.190 4.025 7.747 1.00 0.00 C ATOM 55 C TRP A 28 -4.377 5.404 8.387 1.00 0.00 C ATOM 56 O TRP A 28 -3.697 6.368 8.030 1.00 0.00 O ATOM 57 CB TRP A 28 -3.727 4.148 6.285 1.00 0.00 C ATOM 58 CG TRP A 28 -4.798 4.515 5.291 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.969 5.180 5.525 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.771 4.244 3.883 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.676 5.321 4.354 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.960 4.757 3.333 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.858 3.611 3.034 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.258 4.659 1.976 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.154 3.515 1.687 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.346 4.037 1.171 1.00 0.00 C ATOM 0 H TRP A 28 -5.915 3.085 6.990 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.404 3.519 8.307 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.938 4.898 6.235 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.285 3.199 5.982 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.292 5.542 6.490 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.586 5.772 4.261 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.937 3.204 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.177 5.060 1.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.455 3.030 1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.549 3.946 0.114 1.00 0.00 H new ATOM 77 N TYR A 29 -5.302 5.484 9.332 1.00 0.00 N ATOM 78 CA TYR A 29 -5.474 6.667 10.156 1.00 0.00 C ATOM 79 C TYR A 29 -5.582 6.277 11.629 1.00 0.00 C ATOM 80 O TYR A 29 -6.048 7.055 12.462 1.00 0.00 O ATOM 81 CB TYR A 29 -6.695 7.479 9.715 1.00 0.00 C ATOM 82 CG TYR A 29 -6.401 8.412 8.557 1.00 0.00 C ATOM 83 CD1 TYR A 29 -5.833 9.660 8.782 1.00 0.00 C ATOM 84 CD2 TYR A 29 -6.673 8.044 7.243 1.00 0.00 C ATOM 85 CE1 TYR A 29 -5.545 10.515 7.735 1.00 0.00 C ATOM 86 CE2 TYR A 29 -6.382 8.893 6.188 1.00 0.00 C ATOM 87 CZ TYR A 29 -5.819 10.127 6.439 1.00 0.00 C ATOM 88 OH TYR A 29 -5.517 10.974 5.393 1.00 0.00 O ATOM 0 H TYR A 29 -5.954 4.730 9.548 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.596 7.300 10.029 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.495 6.796 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.061 8.062 10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.613 9.968 9.794 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.118 7.081 7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.107 11.483 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.595 8.590 5.173 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.771 10.551 4.546 1.00 0.00 H new ATOM 98 N ASP A 30 -5.157 5.055 11.938 1.00 0.00 N ATOM 99 CA ASP A 30 -5.067 4.591 13.318 1.00 0.00 C ATOM 100 C ASP A 30 -3.624 4.698 13.790 1.00 0.00 C ATOM 101 O ASP A 30 -2.692 4.452 13.021 1.00 0.00 O ATOM 102 CB ASP A 30 -5.541 3.138 13.456 1.00 0.00 C ATOM 103 CG ASP A 30 -7.039 2.976 13.290 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.783 3.290 14.245 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.484 2.536 12.211 1.00 0.00 O ATOM 0 H ASP A 30 -4.868 4.364 11.245 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.715 5.218 13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.032 2.525 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.248 2.759 14.435 1.00 0.00 H new ATOM 110 N PRO A 31 -3.420 5.059 15.064 1.00 0.00 N ATOM 111 CA PRO A 31 -2.081 5.282 15.628 1.00 0.00 C ATOM 112 C PRO A 31 -1.288 3.988 15.783 1.00 0.00 C ATOM 113 O PRO A 31 -0.067 4.008 15.943 1.00 0.00 O ATOM 114 CB PRO A 31 -2.373 5.901 16.997 1.00 0.00 C ATOM 115 CG PRO A 31 -3.732 5.412 17.355 1.00 0.00 C ATOM 116 CD PRO A 31 -4.483 5.274 16.060 1.00 0.00 C ATOM 0 HA PRO A 31 -1.467 5.910 14.982 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.634 5.592 17.736 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.344 6.990 16.953 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.677 4.457 17.877 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.234 6.112 18.023 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.181 4.437 16.089 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.066 6.168 15.837 1.00 0.00 H new ATOM 124 N ASP A 32 -1.993 2.869 15.735 1.00 0.00 N ATOM 125 CA ASP A 32 -1.364 1.560 15.870 1.00 0.00 C ATOM 126 C ASP A 32 -0.958 1.012 14.510 1.00 0.00 C ATOM 127 O ASP A 32 -0.265 -0.001 14.424 1.00 0.00 O ATOM 128 CB ASP A 32 -2.311 0.575 16.554 1.00 0.00 C ATOM 129 CG ASP A 32 -2.731 1.036 17.931 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.703 1.810 18.029 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.092 0.628 18.924 1.00 0.00 O ATOM 0 H ASP A 32 -3.004 2.839 15.603 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.471 1.682 16.483 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.197 0.438 15.934 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.824 -0.397 16.633 1.00 0.00 H new ATOM 136 N PHE A 33 -1.385 1.685 13.451 1.00 0.00 N ATOM 137 CA PHE A 33 -1.108 1.226 12.104 1.00 0.00 C ATOM 138 C PHE A 33 0.308 1.608 11.691 1.00 0.00 C ATOM 139 O PHE A 33 0.653 2.788 11.632 1.00 0.00 O ATOM 140 CB PHE A 33 -2.126 1.812 11.121 1.00 0.00 C ATOM 141 CG PHE A 33 -2.006 1.256 9.734 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.503 -0.001 9.438 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.398 1.989 8.726 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.399 -0.519 8.164 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.291 1.476 7.448 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.792 0.221 7.168 1.00 0.00 C ATOM 0 H PHE A 33 -1.924 2.550 13.502 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.192 0.139 12.085 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.132 1.621 11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.001 2.894 11.082 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.978 -0.583 10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.004 2.971 8.942 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.791 -1.501 7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.817 2.056 6.670 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.709 -0.183 6.170 1.00 0.00 H new ATOM 156 N GLN A 34 1.122 0.602 11.413 1.00 0.00 N ATOM 157 CA GLN A 34 2.495 0.817 10.987 1.00 0.00 C ATOM 158 C GLN A 34 2.625 0.572 9.490 1.00 0.00 C ATOM 159 O GLN A 34 2.056 -0.383 8.959 1.00 0.00 O ATOM 160 CB GLN A 34 3.438 -0.114 11.751 1.00 0.00 C ATOM 161 CG GLN A 34 3.631 0.261 13.209 1.00 0.00 C ATOM 162 CD GLN A 34 4.370 1.573 13.377 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.763 2.643 13.461 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.690 1.498 13.421 1.00 0.00 N ATOM 0 H GLN A 34 0.852 -0.380 11.476 1.00 0.00 H new ATOM 0 HA GLN A 34 2.768 1.850 11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.050 -1.131 11.697 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.409 -0.116 11.256 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.658 0.331 13.695 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.183 -0.531 13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.152 0.592 13.348 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.246 2.347 13.528 1.00 0.00 H new ATOM 173 N ALA A 35 3.369 1.433 8.811 1.00 0.00 N ATOM 174 CA ALA A 35 3.574 1.296 7.375 1.00 0.00 C ATOM 175 C ALA A 35 4.955 1.794 6.976 1.00 0.00 C ATOM 176 O ALA A 35 5.589 2.547 7.717 1.00 0.00 O ATOM 177 CB ALA A 35 2.496 2.051 6.607 1.00 0.00 C ATOM 0 H ALA A 35 3.841 2.234 9.231 1.00 0.00 H new ATOM 0 HA ALA A 35 3.505 0.238 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.665 1.938 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.516 1.648 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.534 3.108 6.870 1.00 0.00 H new ATOM 183 N ARG A 36 5.425 1.352 5.818 1.00 0.00 N ATOM 184 CA ARG A 36 6.707 1.779 5.293 1.00 0.00 C ATOM 185 C ARG A 36 6.698 1.686 3.770 1.00 0.00 C ATOM 186 O ARG A 36 5.919 0.923 3.191 1.00 0.00 O ATOM 187 CB ARG A 36 7.834 0.899 5.849 1.00 0.00 C ATOM 188 CG ARG A 36 7.874 -0.494 5.239 1.00 0.00 C ATOM 189 CD ARG A 36 9.078 -1.287 5.718 1.00 0.00 C ATOM 190 NE ARG A 36 8.887 -1.808 7.070 1.00 0.00 N ATOM 191 CZ ARG A 36 9.837 -1.830 7.998 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.031 -1.320 7.742 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.601 -2.364 9.186 1.00 0.00 N ATOM 0 H ARG A 36 4.928 0.691 5.221 1.00 0.00 H new ATOM 0 HA ARG A 36 6.880 2.811 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.790 1.392 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.716 0.811 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.960 -1.030 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.901 -0.414 4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.263 -2.115 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.963 -0.651 5.696 1.00 0.00 H new ATOM 0 HE ARG A 36 7.968 -2.177 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.225 -0.908 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.758 -1.339 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.685 -2.762 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.335 -2.378 9.894 1.00 0.00 H new ATOM 206 N LEU A 37 7.545 2.469 3.135 1.00 0.00 N ATOM 207 CA LEU A 37 7.763 2.356 1.706 1.00 0.00 C ATOM 208 C LEU A 37 9.103 1.683 1.464 1.00 0.00 C ATOM 209 O LEU A 37 10.124 2.106 2.011 1.00 0.00 O ATOM 210 CB LEU A 37 7.726 3.730 1.037 1.00 0.00 C ATOM 211 CG LEU A 37 6.374 4.447 1.108 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.464 5.833 0.490 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.303 3.625 0.411 1.00 0.00 C ATOM 0 H LEU A 37 8.098 3.196 3.589 1.00 0.00 H new ATOM 0 HA LEU A 37 6.966 1.755 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.482 4.364 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.005 3.615 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 37 6.101 4.559 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.492 6.323 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.204 6.425 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.761 5.747 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.348 4.147 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.576 3.484 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.216 2.653 0.898 1.00 0.00 H new ATOM 225 N THR A 38 9.085 0.618 0.678 1.00 0.00 N ATOM 226 CA THR A 38 10.287 -0.158 0.413 1.00 0.00 C ATOM 227 C THR A 38 11.333 0.691 -0.304 1.00 0.00 C ATOM 228 O THR A 38 10.995 1.638 -1.016 1.00 0.00 O ATOM 229 CB THR A 38 9.971 -1.407 -0.434 1.00 0.00 C ATOM 230 OG1 THR A 38 9.406 -1.017 -1.690 1.00 0.00 O ATOM 231 CG2 THR A 38 9.005 -2.330 0.302 1.00 0.00 C ATOM 0 H THR A 38 8.248 0.270 0.211 1.00 0.00 H new ATOM 0 HA THR A 38 10.684 -0.480 1.376 1.00 0.00 H new ATOM 0 HB THR A 38 10.902 -1.947 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.112 -0.978 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.796 -3.204 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.452 -2.648 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.075 -1.798 0.503 1.00 0.00 H new ATOM 239 N ARG A 39 12.599 0.335 -0.134 1.00 0.00 N ATOM 240 CA ARG A 39 13.698 1.119 -0.691 1.00 0.00 C ATOM 241 C ARG A 39 13.887 0.802 -2.170 1.00 0.00 C ATOM 242 O ARG A 39 14.995 0.503 -2.618 1.00 0.00 O ATOM 243 CB ARG A 39 14.996 0.844 0.074 1.00 0.00 C ATOM 244 CG ARG A 39 14.919 1.186 1.554 1.00 0.00 C ATOM 245 CD ARG A 39 16.175 0.744 2.283 1.00 0.00 C ATOM 246 NE ARG A 39 16.413 -0.692 2.134 1.00 0.00 N ATOM 247 CZ ARG A 39 17.623 -1.243 2.132 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.694 -0.475 2.272 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.766 -2.548 1.981 1.00 0.00 N ATOM 0 H ARG A 39 12.893 -0.492 0.385 1.00 0.00 H new ATOM 0 HA ARG A 39 13.448 2.175 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.254 -0.210 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.804 1.418 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.783 2.261 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.048 0.703 1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.032 1.296 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.087 0.990 3.341 1.00 0.00 H new ATOM 0 HE ARG A 39 15.605 -1.305 2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.588 0.534 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.625 -0.893 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.944 -3.141 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.698 -2.962 1.981 1.00 0.00 H new ATOM 262 N SER A 40 12.796 0.860 -2.916 1.00 0.00 N ATOM 263 CA SER A 40 12.821 0.590 -4.343 1.00 0.00 C ATOM 264 C SER A 40 13.451 1.761 -5.092 1.00 0.00 C ATOM 265 O SER A 40 14.291 1.571 -5.971 1.00 0.00 O ATOM 266 CB SER A 40 11.400 0.333 -4.838 1.00 0.00 C ATOM 267 OG SER A 40 10.782 -0.695 -4.078 1.00 0.00 O ATOM 0 H SER A 40 11.873 1.094 -2.551 1.00 0.00 H new ATOM 0 HA SER A 40 13.426 -0.297 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.813 1.249 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.422 0.051 -5.891 1.00 0.00 H new ATOM 0 HG SER A 40 9.812 -0.665 -4.214 1.00 0.00 H new ATOM 273 N ASN A 41 13.042 2.972 -4.735 1.00 0.00 N ATOM 274 CA ASN A 41 13.631 4.172 -5.313 1.00 0.00 C ATOM 275 C ASN A 41 14.191 5.054 -4.215 1.00 0.00 C ATOM 276 O ASN A 41 15.397 5.292 -4.148 1.00 0.00 O ATOM 277 CB ASN A 41 12.610 4.958 -6.139 1.00 0.00 C ATOM 278 CG ASN A 41 12.187 4.247 -7.409 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.077 4.439 -7.898 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.063 3.421 -7.954 1.00 0.00 N ATOM 0 H ASN A 41 12.307 3.148 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 41 14.435 3.861 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.728 5.148 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.033 5.928 -6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.826 2.918 -8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.976 3.287 -7.519 1.00 0.00 H new ATOM 287 N SER A 42 13.308 5.515 -3.344 1.00 0.00 N ATOM 288 CA SER A 42 13.698 6.367 -2.239 1.00 0.00 C ATOM 289 C SER A 42 12.709 6.198 -1.090 1.00 0.00 C ATOM 290 O SER A 42 11.802 5.369 -1.178 1.00 0.00 O ATOM 291 CB SER A 42 13.764 7.825 -2.698 1.00 0.00 C ATOM 292 OG SER A 42 14.356 8.654 -1.710 1.00 0.00 O ATOM 0 H SER A 42 12.310 5.310 -3.384 1.00 0.00 H new ATOM 0 HA SER A 42 14.689 6.079 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.338 7.891 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.759 8.183 -2.921 1.00 0.00 H new ATOM 0 HG SER A 42 13.657 9.025 -1.132 1.00 0.00 H new ATOM 298 N LYS A 43 12.862 6.976 -0.033 1.00 0.00 N ATOM 299 CA LYS A 43 12.025 6.810 1.152 1.00 0.00 C ATOM 300 C LYS A 43 10.576 7.213 0.872 1.00 0.00 C ATOM 301 O LYS A 43 9.645 6.617 1.410 1.00 0.00 O ATOM 302 CB LYS A 43 12.588 7.601 2.344 1.00 0.00 C ATOM 303 CG LYS A 43 12.518 9.113 2.195 1.00 0.00 C ATOM 304 CD LYS A 43 13.124 9.814 3.399 1.00 0.00 C ATOM 305 CE LYS A 43 12.977 11.324 3.305 1.00 0.00 C ATOM 306 NZ LYS A 43 11.553 11.758 3.393 1.00 0.00 N ATOM 0 H LYS A 43 13.551 7.725 0.034 1.00 0.00 H new ATOM 0 HA LYS A 43 12.034 5.752 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.043 7.313 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.628 7.312 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.046 9.416 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.479 9.421 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.641 9.458 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.180 9.556 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.548 11.793 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.403 11.671 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.512 12.783 3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.066 11.535 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.086 11.259 4.176 1.00 0.00 H new ATOM 319 N CYS A 44 10.382 8.206 0.011 1.00 0.00 N ATOM 320 CA CYS A 44 9.040 8.691 -0.283 1.00 0.00 C ATOM 321 C CYS A 44 8.477 8.077 -1.566 1.00 0.00 C ATOM 322 O CYS A 44 7.532 8.613 -2.147 1.00 0.00 O ATOM 323 CB CYS A 44 9.036 10.216 -0.402 1.00 0.00 C ATOM 324 SG CYS A 44 9.578 11.091 1.103 1.00 0.00 S ATOM 0 H CYS A 44 11.129 8.686 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 44 8.401 8.386 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.684 10.505 -1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.029 10.546 -0.656 1.00 0.00 H new ATOM 329 N GLN A 45 9.045 6.961 -2.016 1.00 0.00 N ATOM 330 CA GLN A 45 8.552 6.308 -3.224 1.00 0.00 C ATOM 331 C GLN A 45 9.010 4.855 -3.315 1.00 0.00 C ATOM 332 O GLN A 45 10.202 4.563 -3.452 1.00 0.00 O ATOM 333 CB GLN A 45 8.970 7.090 -4.475 1.00 0.00 C ATOM 334 CG GLN A 45 10.445 7.450 -4.527 1.00 0.00 C ATOM 335 CD GLN A 45 10.812 8.241 -5.769 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.871 9.021 -6.276 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 11.934 8.155 -6.264 1.00 0.00 N flip ATOM 0 H GLN A 45 9.835 6.496 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 45 7.464 6.301 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.721 6.500 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.383 8.007 -4.529 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.704 8.031 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.039 6.537 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.632 7.542 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.167 8.697 -7.096 1.00 0.00 H new ATOM 346 N GLY A 46 8.044 3.952 -3.245 1.00 0.00 N ATOM 347 CA GLY A 46 8.327 2.535 -3.336 1.00 0.00 C ATOM 348 C GLY A 46 7.081 1.705 -3.096 1.00 0.00 C ATOM 349 O GLY A 46 5.967 2.223 -3.205 1.00 0.00 O ATOM 0 H GLY A 46 7.057 4.180 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.734 2.306 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.090 2.267 -2.606 1.00 0.00 H new ATOM 353 N GLN A 47 7.258 0.427 -2.774 1.00 0.00 N ATOM 354 CA GLN A 47 6.131 -0.453 -2.490 1.00 0.00 C ATOM 355 C GLN A 47 5.563 -0.140 -1.116 1.00 0.00 C ATOM 356 O GLN A 47 6.310 0.162 -0.181 1.00 0.00 O ATOM 357 CB GLN A 47 6.538 -1.934 -2.538 1.00 0.00 C ATOM 358 CG GLN A 47 6.471 -2.578 -3.919 1.00 0.00 C ATOM 359 CD GLN A 47 7.680 -2.299 -4.793 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.306 -1.245 -4.710 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.029 -3.262 -5.633 1.00 0.00 N ATOM 0 H GLN A 47 8.171 -0.022 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 47 5.378 -0.278 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.556 -2.028 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.893 -2.494 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.363 -3.656 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.577 -2.223 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.485 -4.124 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.841 -3.141 -6.238 1.00 0.00 H new ATOM 370 N LEU A 48 4.247 -0.212 -0.994 1.00 0.00 N ATOM 371 CA LEU A 48 3.595 0.031 0.282 1.00 0.00 C ATOM 372 C LEU A 48 3.566 -1.253 1.098 1.00 0.00 C ATOM 373 O LEU A 48 2.811 -2.183 0.799 1.00 0.00 O ATOM 374 CB LEU A 48 2.172 0.564 0.081 1.00 0.00 C ATOM 375 CG LEU A 48 1.428 0.955 1.365 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.120 2.121 2.060 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.016 1.303 1.048 1.00 0.00 C ATOM 0 H LEU A 48 3.612 -0.436 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 48 4.164 0.788 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.218 1.436 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.588 -0.195 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 48 1.442 0.103 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.574 2.380 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.140 1.837 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.142 2.982 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.534 1.579 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.044 2.140 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.508 0.440 0.599 1.00 0.00 H new ATOM 389 N GLU A 49 4.409 -1.308 2.113 1.00 0.00 N ATOM 390 CA GLU A 49 4.467 -2.459 2.989 1.00 0.00 C ATOM 391 C GLU A 49 3.897 -2.069 4.345 1.00 0.00 C ATOM 392 O GLU A 49 4.357 -1.110 4.968 1.00 0.00 O ATOM 393 CB GLU A 49 5.912 -2.950 3.125 1.00 0.00 C ATOM 394 CG GLU A 49 6.037 -4.414 3.512 1.00 0.00 C ATOM 395 CD GLU A 49 7.469 -4.825 3.782 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.215 -5.078 2.810 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.851 -4.912 4.968 1.00 0.00 O ATOM 0 H GLU A 49 5.065 -0.564 2.350 1.00 0.00 H new ATOM 0 HA GLU A 49 3.877 -3.275 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.429 -2.790 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.422 -2.343 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.435 -4.604 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.630 -5.033 2.713 1.00 0.00 H new ATOM 404 N VAL A 50 2.886 -2.794 4.789 1.00 0.00 N ATOM 405 CA VAL A 50 2.158 -2.426 5.994 1.00 0.00 C ATOM 406 C VAL A 50 2.251 -3.512 7.056 1.00 0.00 C ATOM 407 O VAL A 50 2.472 -4.683 6.748 1.00 0.00 O ATOM 408 CB VAL A 50 0.670 -2.145 5.695 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.524 -0.982 4.724 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.023 -3.388 5.153 1.00 0.00 C ATOM 0 H VAL A 50 2.549 -3.642 4.334 1.00 0.00 H new ATOM 0 HA VAL A 50 2.625 -1.516 6.370 1.00 0.00 H new ATOM 0 HB VAL A 50 0.186 -1.871 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.533 -0.802 4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.970 -0.087 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.031 -1.223 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.070 -3.162 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.465 -3.703 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.040 -4.190 5.889 1.00 0.00 H new ATOM 420 N TYR A 51 2.090 -3.108 8.309 1.00 0.00 N ATOM 421 CA TYR A 51 2.096 -4.038 9.424 1.00 0.00 C ATOM 422 C TYR A 51 0.678 -4.489 9.737 1.00 0.00 C ATOM 423 O TYR A 51 -0.127 -3.719 10.260 1.00 0.00 O ATOM 424 CB TYR A 51 2.726 -3.388 10.663 1.00 0.00 C ATOM 425 CG TYR A 51 2.709 -4.267 11.903 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.651 -5.275 12.080 1.00 0.00 C ATOM 427 CD2 TYR A 51 1.751 -4.085 12.897 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.638 -6.074 13.209 1.00 0.00 C ATOM 429 CE2 TYR A 51 1.734 -4.881 14.028 1.00 0.00 C ATOM 430 CZ TYR A 51 2.678 -5.873 14.179 1.00 0.00 C ATOM 431 OH TYR A 51 2.663 -6.671 15.305 1.00 0.00 O ATOM 0 H TYR A 51 1.953 -2.134 8.577 1.00 0.00 H new ATOM 0 HA TYR A 51 2.692 -4.907 9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.758 -3.121 10.435 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.197 -2.460 10.881 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.405 -5.436 11.324 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.009 -3.309 12.783 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.377 -6.852 13.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.984 -4.726 14.789 1.00 0.00 H new ATOM 0 HH TYR A 51 1.925 -6.398 15.889 1.00 0.00 H new ATOM 441 N LEU A 52 0.374 -5.730 9.398 1.00 0.00 N ATOM 442 CA LEU A 52 -0.908 -6.312 9.740 1.00 0.00 C ATOM 443 C LEU A 52 -0.842 -6.874 11.153 1.00 0.00 C ATOM 444 O LEU A 52 0.225 -6.870 11.769 1.00 0.00 O ATOM 445 CB LEU A 52 -1.282 -7.433 8.764 1.00 0.00 C ATOM 446 CG LEU A 52 -1.315 -7.051 7.284 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.577 -8.284 6.435 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.378 -5.995 7.026 1.00 0.00 C ATOM 0 H LEU A 52 0.999 -6.353 8.886 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.669 -5.534 9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.572 -8.251 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.264 -7.817 9.042 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.346 -6.633 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.599 -8.003 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.784 -9.014 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.536 -8.721 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.385 -5.737 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.355 -6.385 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.157 -5.105 7.615 1.00 0.00 H new ATOM 460 N LYS A 53 -1.961 -7.371 11.652 1.00 0.00 N ATOM 461 CA LYS A 53 -2.004 -7.992 12.974 1.00 0.00 C ATOM 462 C LYS A 53 -0.976 -9.118 13.047 1.00 0.00 C ATOM 463 O LYS A 53 -0.304 -9.313 14.062 1.00 0.00 O ATOM 464 CB LYS A 53 -3.403 -8.566 13.283 1.00 0.00 C ATOM 465 CG LYS A 53 -4.554 -7.969 12.473 1.00 0.00 C ATOM 466 CD LYS A 53 -4.589 -8.516 11.046 1.00 0.00 C ATOM 467 CE LYS A 53 -4.794 -10.023 11.031 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.547 -10.607 9.684 1.00 0.00 N ATOM 0 H LYS A 53 -2.856 -7.359 11.164 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.775 -7.223 13.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.381 -9.642 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.612 -8.417 14.342 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.499 -8.188 12.969 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.453 -6.884 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.392 -8.033 10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.657 -8.270 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.125 -10.487 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.812 -10.253 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.731 -11.630 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.179 -10.159 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.558 -10.440 9.409 1.00 0.00 H new ATOM 481 N ASP A 54 -0.852 -9.841 11.946 1.00 0.00 N ATOM 482 CA ASP A 54 0.030 -10.996 11.865 1.00 0.00 C ATOM 483 C ASP A 54 1.453 -10.621 11.441 1.00 0.00 C ATOM 484 O ASP A 54 2.374 -11.418 11.604 1.00 0.00 O ATOM 485 CB ASP A 54 -0.552 -12.024 10.895 1.00 0.00 C ATOM 486 CG ASP A 54 -0.841 -11.432 9.530 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.861 -10.720 9.394 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.049 -11.673 8.596 1.00 0.00 O ATOM 0 H ASP A 54 -1.359 -9.645 11.083 1.00 0.00 H new ATOM 0 HA ASP A 54 0.097 -11.424 12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.146 -12.854 10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.472 -12.433 11.313 1.00 0.00 H new ATOM 493 N GLY A 55 1.643 -9.424 10.894 1.00 0.00 N ATOM 494 CA GLY A 55 2.986 -9.005 10.527 1.00 0.00 C ATOM 495 C GLY A 55 3.043 -8.168 9.260 1.00 0.00 C ATOM 496 O GLY A 55 2.015 -7.907 8.630 1.00 0.00 O ATOM 0 H GLY A 55 0.906 -8.746 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.415 -8.432 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.609 -9.890 10.395 1.00 0.00 H new ATOM 500 N TRP A 56 4.258 -7.771 8.885 1.00 0.00 N ATOM 501 CA TRP A 56 4.490 -6.891 7.736 1.00 0.00 C ATOM 502 C TRP A 56 4.233 -7.611 6.415 1.00 0.00 C ATOM 503 O TRP A 56 4.740 -8.709 6.187 1.00 0.00 O ATOM 504 CB TRP A 56 5.927 -6.354 7.758 1.00 0.00 C ATOM 505 CG TRP A 56 6.175 -5.336 8.830 1.00 0.00 C ATOM 506 CD1 TRP A 56 6.612 -5.569 10.102 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.006 -3.918 8.717 1.00 0.00 C ATOM 508 NE1 TRP A 56 6.713 -4.384 10.791 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.349 -3.356 9.961 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.597 -3.068 7.685 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.291 -1.985 10.199 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.541 -1.711 7.926 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.888 -1.180 9.172 1.00 0.00 C ATOM 0 H TRP A 56 5.112 -8.050 9.369 1.00 0.00 H new ATOM 0 HA TRP A 56 3.788 -6.060 7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.615 -7.188 7.896 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.154 -5.910 6.789 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.844 -6.542 10.508 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.010 -4.286 11.762 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.330 -3.466 6.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.555 -1.573 11.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.223 -1.046 7.137 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.836 -0.112 9.325 1.00 0.00 H new ATOM 524 N HIS A 57 3.442 -6.983 5.551 1.00 0.00 N ATOM 525 CA HIS A 57 3.120 -7.541 4.239 1.00 0.00 C ATOM 526 C HIS A 57 2.962 -6.432 3.199 1.00 0.00 C ATOM 527 O HIS A 57 2.688 -5.283 3.542 1.00 0.00 O ATOM 528 CB HIS A 57 1.834 -8.372 4.306 1.00 0.00 C ATOM 529 CG HIS A 57 2.013 -9.725 4.923 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.813 -9.976 6.263 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.369 -10.912 4.370 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.038 -11.252 6.509 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.375 -11.845 5.378 1.00 0.00 N ATOM 0 H HIS A 57 3.008 -6.079 5.737 1.00 0.00 H new ATOM 0 HA HIS A 57 3.946 -8.187 3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.087 -7.820 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.439 -8.494 3.297 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.534 -9.282 6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.604 -11.090 3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.960 -11.732 7.474 1.00 0.00 H new ATOM 541 N MET A 58 3.126 -6.793 1.932 1.00 0.00 N ATOM 542 CA MET A 58 3.061 -5.832 0.833 1.00 0.00 C ATOM 543 C MET A 58 1.639 -5.725 0.289 1.00 0.00 C ATOM 544 O MET A 58 0.963 -6.735 0.106 1.00 0.00 O ATOM 545 CB MET A 58 4.002 -6.257 -0.298 1.00 0.00 C ATOM 546 CG MET A 58 5.480 -6.213 0.064 1.00 0.00 C ATOM 547 SD MET A 58 6.517 -7.011 -1.182 1.00 0.00 S ATOM 548 CE MET A 58 6.001 -6.142 -2.661 1.00 0.00 C ATOM 0 H MET A 58 3.307 -7.752 1.637 1.00 0.00 H new ATOM 0 HA MET A 58 3.368 -4.860 1.218 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.746 -7.271 -0.606 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.832 -5.610 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.792 -5.175 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.631 -6.703 1.026 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.826 -6.113 -3.372 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.153 -6.659 -3.110 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.709 -5.124 -2.402 1.00 0.00 H new ATOM 558 N VAL A 59 1.195 -4.507 0.012 1.00 0.00 N ATOM 559 CA VAL A 59 -0.164 -4.280 -0.472 1.00 0.00 C ATOM 560 C VAL A 59 -0.253 -4.498 -1.987 1.00 0.00 C ATOM 561 O VAL A 59 0.661 -4.138 -2.731 1.00 0.00 O ATOM 562 CB VAL A 59 -0.651 -2.852 -0.121 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.066 -2.607 -0.631 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.584 -2.620 1.380 1.00 0.00 C ATOM 0 H VAL A 59 1.754 -3.660 0.113 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.810 -5.003 0.026 1.00 0.00 H new ATOM 0 HB VAL A 59 0.013 -2.144 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.378 -1.596 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.087 -2.723 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.747 -3.326 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.930 -1.612 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.219 -3.345 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.445 -2.736 1.721 1.00 0.00 H new ATOM 574 N CYS A 60 -1.350 -5.108 -2.430 1.00 0.00 N ATOM 575 CA CYS A 60 -1.600 -5.322 -3.853 1.00 0.00 C ATOM 576 C CYS A 60 -2.557 -4.244 -4.365 1.00 0.00 C ATOM 577 O CYS A 60 -3.491 -3.858 -3.665 1.00 0.00 O ATOM 578 CB CYS A 60 -2.203 -6.714 -4.067 1.00 0.00 C ATOM 579 SG CYS A 60 -2.019 -7.367 -5.758 1.00 0.00 S ATOM 0 H CYS A 60 -2.085 -5.465 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.663 -5.259 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.735 -7.409 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.264 -6.678 -3.818 1.00 0.00 H new ATOM 584 N SER A 61 -2.313 -3.755 -5.581 1.00 0.00 N ATOM 585 CA SER A 61 -3.070 -2.631 -6.131 1.00 0.00 C ATOM 586 C SER A 61 -4.533 -2.987 -6.405 1.00 0.00 C ATOM 587 O SER A 61 -5.396 -2.113 -6.413 1.00 0.00 O ATOM 588 CB SER A 61 -2.400 -2.139 -7.413 1.00 0.00 C ATOM 589 OG SER A 61 -2.341 -3.169 -8.388 1.00 0.00 O ATOM 0 H SER A 61 -1.594 -4.121 -6.205 1.00 0.00 H new ATOM 0 HA SER A 61 -3.070 -1.839 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.952 -1.288 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.393 -1.788 -7.189 1.00 0.00 H new ATOM 0 HG SER A 61 -1.701 -3.854 -8.102 1.00 0.00 H new ATOM 595 N GLN A 62 -4.810 -4.268 -6.615 1.00 0.00 N ATOM 596 CA GLN A 62 -6.169 -4.713 -6.909 1.00 0.00 C ATOM 597 C GLN A 62 -6.921 -5.049 -5.623 1.00 0.00 C ATOM 598 O GLN A 62 -7.870 -5.834 -5.626 1.00 0.00 O ATOM 599 CB GLN A 62 -6.139 -5.924 -7.843 1.00 0.00 C ATOM 600 CG GLN A 62 -5.419 -7.128 -7.265 1.00 0.00 C ATOM 601 CD GLN A 62 -5.329 -8.275 -8.249 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.214 -9.125 -8.318 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.259 -8.303 -9.026 1.00 0.00 N ATOM 0 H GLN A 62 -4.116 -5.015 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.696 -3.899 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.163 -6.208 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.656 -5.638 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.414 -6.835 -6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.940 -7.463 -6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.546 -7.579 -8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.147 -9.049 -9.713 1.00 0.00 H new ATOM 612 N SER A 63 -6.493 -4.441 -4.528 1.00 0.00 N ATOM 613 CA SER A 63 -7.100 -4.676 -3.232 1.00 0.00 C ATOM 614 C SER A 63 -8.390 -3.864 -3.105 1.00 0.00 C ATOM 615 O SER A 63 -8.605 -2.919 -3.858 1.00 0.00 O ATOM 616 CB SER A 63 -6.113 -4.286 -2.124 1.00 0.00 C ATOM 617 OG SER A 63 -6.589 -4.663 -0.847 1.00 0.00 O ATOM 0 H SER A 63 -5.720 -3.775 -4.514 1.00 0.00 H new ATOM 0 HA SER A 63 -7.344 -5.734 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.150 -4.762 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.946 -3.209 -2.147 1.00 0.00 H new ATOM 0 HG SER A 63 -7.036 -3.899 -0.426 1.00 0.00 H new ATOM 623 N TRP A 64 -9.246 -4.251 -2.159 1.00 0.00 N ATOM 624 CA TRP A 64 -10.506 -3.547 -1.888 1.00 0.00 C ATOM 625 C TRP A 64 -11.385 -3.465 -3.137 1.00 0.00 C ATOM 626 O TRP A 64 -12.155 -2.518 -3.311 1.00 0.00 O ATOM 627 CB TRP A 64 -10.236 -2.144 -1.336 1.00 0.00 C ATOM 628 CG TRP A 64 -9.375 -2.142 -0.106 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.725 -2.554 1.147 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.018 -1.700 -0.018 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.666 -2.396 2.009 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.607 -1.875 1.316 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.109 -1.176 -0.940 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.330 -1.542 1.747 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.840 -0.848 -0.510 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.462 -1.032 0.823 1.00 0.00 C ATOM 0 H TRP A 64 -9.089 -5.060 -1.558 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.046 -4.123 -1.136 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.754 -1.544 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.187 -1.663 -1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.693 -2.947 1.421 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.669 -2.629 3.002 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.395 -1.030 -1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.033 -1.681 2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.128 -0.443 -1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.461 -0.765 1.130 1.00 0.00 H new ATOM 647 N GLY A 65 -11.266 -4.467 -4.002 1.00 0.00 N ATOM 648 CA GLY A 65 -12.072 -4.515 -5.207 1.00 0.00 C ATOM 649 C GLY A 65 -11.708 -3.434 -6.211 1.00 0.00 C ATOM 650 O GLY A 65 -12.484 -3.148 -7.124 1.00 0.00 O ATOM 0 H GLY A 65 -10.622 -5.250 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.956 -5.492 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.123 -4.414 -4.938 1.00 0.00 H new ATOM 654 N ARG A 66 -10.538 -2.819 -6.043 1.00 0.00 N ATOM 655 CA ARG A 66 -10.079 -1.796 -6.977 1.00 0.00 C ATOM 656 C ARG A 66 -9.621 -2.455 -8.270 1.00 0.00 C ATOM 657 O ARG A 66 -9.322 -3.652 -8.293 1.00 0.00 O ATOM 658 CB ARG A 66 -8.921 -0.976 -6.391 1.00 0.00 C ATOM 659 CG ARG A 66 -9.245 -0.222 -5.104 1.00 0.00 C ATOM 660 CD ARG A 66 -10.445 0.705 -5.255 1.00 0.00 C ATOM 661 NE ARG A 66 -11.710 0.008 -5.032 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.860 0.628 -4.787 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.899 1.950 -4.721 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.967 -0.065 -4.585 1.00 0.00 N ATOM 0 H ARG A 66 -9.896 -3.011 -5.274 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.913 -1.121 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.083 -1.646 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.590 -0.257 -7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.442 -0.939 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.376 0.361 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.357 1.530 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.443 1.140 -6.254 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.710 -1.011 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.046 2.493 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.782 2.425 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.943 -1.084 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.845 0.419 -4.398 1.00 0.00 H new ATOM 677 N SER A 67 -9.579 -1.679 -9.340 1.00 0.00 N ATOM 678 CA SER A 67 -9.108 -2.167 -10.620 1.00 0.00 C ATOM 679 C SER A 67 -7.596 -2.360 -10.583 1.00 0.00 C ATOM 680 O SER A 67 -6.899 -1.715 -9.799 1.00 0.00 O ATOM 681 CB SER A 67 -9.505 -1.178 -11.716 1.00 0.00 C ATOM 682 OG SER A 67 -9.248 0.157 -11.313 1.00 0.00 O ATOM 0 H SER A 67 -9.869 -0.701 -9.344 1.00 0.00 H new ATOM 0 HA SER A 67 -9.566 -3.132 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.951 -1.399 -12.628 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.563 -1.294 -11.949 1.00 0.00 H new ATOM 0 HG SER A 67 -8.473 0.174 -10.713 1.00 0.00 H new ATOM 688 N SER A 68 -7.089 -3.256 -11.418 1.00 0.00 N ATOM 689 CA SER A 68 -5.662 -3.548 -11.446 1.00 0.00 C ATOM 690 C SER A 68 -4.897 -2.480 -12.229 1.00 0.00 C ATOM 691 O SER A 68 -4.100 -2.789 -13.115 1.00 0.00 O ATOM 692 CB SER A 68 -5.425 -4.934 -12.048 1.00 0.00 C ATOM 693 OG SER A 68 -6.074 -5.936 -11.279 1.00 0.00 O ATOM 0 H SER A 68 -7.644 -3.793 -12.085 1.00 0.00 H new ATOM 0 HA SER A 68 -5.287 -3.539 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.796 -4.959 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.355 -5.138 -12.091 1.00 0.00 H new ATOM 0 HG SER A 68 -5.911 -6.814 -11.682 1.00 0.00 H new ATOM 699 N LYS A 69 -5.136 -1.227 -11.877 1.00 0.00 N ATOM 700 CA LYS A 69 -4.503 -0.100 -12.531 1.00 0.00 C ATOM 701 C LYS A 69 -4.341 1.030 -11.514 1.00 0.00 C ATOM 702 O LYS A 69 -4.530 0.817 -10.318 1.00 0.00 O ATOM 703 CB LYS A 69 -5.353 0.344 -13.730 1.00 0.00 C ATOM 704 CG LYS A 69 -4.581 1.118 -14.791 1.00 0.00 C ATOM 705 CD LYS A 69 -5.427 1.354 -16.032 1.00 0.00 C ATOM 706 CE LYS A 69 -4.623 2.033 -17.129 1.00 0.00 C ATOM 707 NZ LYS A 69 -3.406 1.256 -17.487 1.00 0.00 N ATOM 0 H LYS A 69 -5.776 -0.965 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.518 -0.379 -12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.798 -0.537 -14.192 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.174 0.964 -13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.258 2.075 -14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.681 0.567 -15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.813 0.403 -16.397 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.289 1.970 -15.775 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.248 2.157 -18.013 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.333 3.031 -16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.065 1.556 -18.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.665 1.426 -16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.636 0.242 -17.512 1.00 0.00 H new ATOM 720 N GLN A 70 -3.982 2.215 -11.977 1.00 0.00 N ATOM 721 CA GLN A 70 -3.753 3.334 -11.079 1.00 0.00 C ATOM 722 C GLN A 70 -5.009 4.192 -10.949 1.00 0.00 C ATOM 723 O GLN A 70 -5.617 4.578 -11.949 1.00 0.00 O ATOM 724 CB GLN A 70 -2.577 4.180 -11.571 1.00 0.00 C ATOM 725 CG GLN A 70 -2.269 5.373 -10.677 1.00 0.00 C ATOM 726 CD GLN A 70 -1.019 6.118 -11.097 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.333 6.706 -10.266 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.717 6.104 -12.386 1.00 0.00 N ATOM 0 H GLN A 70 -3.843 2.427 -12.965 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.509 2.936 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.690 3.550 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.793 4.537 -12.578 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.116 6.059 -10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.153 5.030 -9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.314 5.603 -13.044 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.113 6.594 -12.721 1.00 0.00 H new ATOM 737 N TRP A 71 -5.391 4.481 -9.711 1.00 0.00 N ATOM 738 CA TRP A 71 -6.568 5.294 -9.441 1.00 0.00 C ATOM 739 C TRP A 71 -6.174 6.767 -9.354 1.00 0.00 C ATOM 740 O TRP A 71 -5.003 7.094 -9.152 1.00 0.00 O ATOM 741 CB TRP A 71 -7.247 4.826 -8.145 1.00 0.00 C ATOM 742 CG TRP A 71 -8.566 5.482 -7.885 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.869 6.318 -6.853 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.757 5.367 -8.675 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.176 6.725 -6.945 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.745 6.154 -8.055 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.085 4.668 -9.840 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.034 6.268 -8.567 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.365 4.783 -10.347 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.327 5.575 -9.711 1.00 0.00 C ATOM 0 H TRP A 71 -4.900 4.162 -8.876 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.281 5.178 -10.257 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.391 3.747 -8.190 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -6.581 5.024 -7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.181 6.617 -6.076 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.648 7.351 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.351 4.049 -10.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.777 6.881 -8.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.628 4.252 -11.250 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.320 5.641 -10.130 1.00 0.00 H new ATOM 761 N GLU A 72 -7.149 7.654 -9.499 1.00 0.00 N ATOM 762 CA GLU A 72 -6.872 9.079 -9.596 1.00 0.00 C ATOM 763 C GLU A 72 -7.139 9.797 -8.275 1.00 0.00 C ATOM 764 O GLU A 72 -7.697 10.897 -8.257 1.00 0.00 O ATOM 765 CB GLU A 72 -7.719 9.701 -10.701 1.00 0.00 C ATOM 766 CG GLU A 72 -7.489 9.090 -12.071 1.00 0.00 C ATOM 767 CD GLU A 72 -8.333 9.745 -13.137 1.00 0.00 C ATOM 768 OE1 GLU A 72 -9.569 9.584 -13.103 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.762 10.428 -14.012 1.00 0.00 O ATOM 0 H GLU A 72 -8.138 7.411 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.815 9.195 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.772 9.597 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.507 10.769 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.436 9.183 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.716 8.024 -12.034 1.00 0.00 H new ATOM 776 N ASP A 73 -6.750 9.176 -7.174 1.00 0.00 N ATOM 777 CA ASP A 73 -6.882 9.804 -5.864 1.00 0.00 C ATOM 778 C ASP A 73 -5.871 9.209 -4.891 1.00 0.00 C ATOM 779 O ASP A 73 -6.199 8.332 -4.093 1.00 0.00 O ATOM 780 CB ASP A 73 -8.303 9.644 -5.316 1.00 0.00 C ATOM 781 CG ASP A 73 -8.554 10.514 -4.096 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.694 11.745 -4.256 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.635 9.976 -2.975 1.00 0.00 O ATOM 0 H ASP A 73 -6.342 8.241 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.682 10.869 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.021 9.900 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.474 8.599 -5.055 1.00 0.00 H new ATOM 788 N PRO A 74 -4.612 9.666 -4.959 1.00 0.00 N ATOM 789 CA PRO A 74 -3.550 9.176 -4.085 1.00 0.00 C ATOM 790 C PRO A 74 -3.587 9.839 -2.715 1.00 0.00 C ATOM 791 O PRO A 74 -2.910 9.410 -1.780 1.00 0.00 O ATOM 792 CB PRO A 74 -2.283 9.566 -4.839 1.00 0.00 C ATOM 793 CG PRO A 74 -2.653 10.810 -5.571 1.00 0.00 C ATOM 794 CD PRO A 74 -4.120 10.693 -5.900 1.00 0.00 C ATOM 0 HA PRO A 74 -3.632 8.108 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.452 9.740 -4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.972 8.779 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.462 11.692 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.059 10.917 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.638 11.642 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.275 10.393 -6.936 1.00 0.00 H new ATOM 802 N SER A 75 -4.410 10.875 -2.606 1.00 0.00 N ATOM 803 CA SER A 75 -4.502 11.686 -1.402 1.00 0.00 C ATOM 804 C SER A 75 -5.023 10.884 -0.208 1.00 0.00 C ATOM 805 O SER A 75 -4.949 11.340 0.933 1.00 0.00 O ATOM 806 CB SER A 75 -5.403 12.884 -1.676 1.00 0.00 C ATOM 807 OG SER A 75 -5.039 13.506 -2.899 1.00 0.00 O ATOM 0 H SER A 75 -5.034 11.176 -3.354 1.00 0.00 H new ATOM 0 HA SER A 75 -3.500 12.027 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.444 12.562 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.325 13.601 -0.858 1.00 0.00 H new ATOM 0 HG SER A 75 -5.627 14.273 -3.064 1.00 0.00 H new ATOM 813 N GLN A 76 -5.537 9.683 -0.477 1.00 0.00 N ATOM 814 CA GLN A 76 -5.983 8.780 0.581 1.00 0.00 C ATOM 815 C GLN A 76 -4.838 8.446 1.537 1.00 0.00 C ATOM 816 O GLN A 76 -5.061 8.129 2.702 1.00 0.00 O ATOM 817 CB GLN A 76 -6.533 7.481 -0.018 1.00 0.00 C ATOM 818 CG GLN A 76 -7.806 7.653 -0.829 1.00 0.00 C ATOM 819 CD GLN A 76 -8.951 8.208 -0.007 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.693 7.461 0.635 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.121 9.519 -0.046 1.00 0.00 N ATOM 0 H GLN A 76 -5.654 9.314 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.772 9.288 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.768 7.037 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.724 6.775 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.610 8.320 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.098 6.690 -1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.483 10.100 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.890 9.949 0.468 1.00 0.00 H new ATOM 830 N ALA A 77 -3.612 8.537 1.037 1.00 0.00 N ATOM 831 CA ALA A 77 -2.436 8.172 1.816 1.00 0.00 C ATOM 832 C ALA A 77 -1.701 9.407 2.337 1.00 0.00 C ATOM 833 O ALA A 77 -0.496 9.359 2.597 1.00 0.00 O ATOM 834 CB ALA A 77 -1.503 7.313 0.974 1.00 0.00 C ATOM 0 H ALA A 77 -3.406 8.862 0.092 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.768 7.599 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.626 7.044 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.024 6.407 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.190 7.872 0.092 1.00 0.00 H new ATOM 840 N SER A 78 -2.436 10.505 2.496 1.00 0.00 N ATOM 841 CA SER A 78 -1.860 11.767 2.959 1.00 0.00 C ATOM 842 C SER A 78 -1.108 11.585 4.283 1.00 0.00 C ATOM 843 O SER A 78 0.038 12.022 4.422 1.00 0.00 O ATOM 844 CB SER A 78 -2.960 12.829 3.115 1.00 0.00 C ATOM 845 OG SER A 78 -2.409 14.099 3.428 1.00 0.00 O ATOM 0 H SER A 78 -3.438 10.547 2.310 1.00 0.00 H new ATOM 0 HA SER A 78 -1.144 12.103 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.536 12.897 2.192 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.652 12.526 3.901 1.00 0.00 H new ATOM 0 HG SER A 78 -3.131 14.755 3.520 1.00 0.00 H new ATOM 851 N LYS A 79 -1.749 10.922 5.245 1.00 0.00 N ATOM 852 CA LYS A 79 -1.150 10.715 6.562 1.00 0.00 C ATOM 853 C LYS A 79 0.138 9.899 6.462 1.00 0.00 C ATOM 854 O LYS A 79 1.111 10.175 7.168 1.00 0.00 O ATOM 855 CB LYS A 79 -2.138 10.010 7.492 1.00 0.00 C ATOM 856 CG LYS A 79 -1.664 9.914 8.932 1.00 0.00 C ATOM 857 CD LYS A 79 -1.577 11.286 9.585 1.00 0.00 C ATOM 858 CE LYS A 79 -1.029 11.202 11.002 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.844 10.307 11.866 1.00 0.00 N ATOM 0 H LYS A 79 -2.680 10.520 5.137 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.906 11.694 6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.089 10.542 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.325 9.005 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.348 9.283 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.686 9.433 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.938 11.934 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.566 11.743 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.002 10.839 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.001 12.200 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.552 10.422 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.850 10.554 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.701 9.319 11.575 1.00 0.00 H new ATOM 872 N VAL A 80 0.146 8.911 5.575 1.00 0.00 N ATOM 873 CA VAL A 80 1.301 8.037 5.416 1.00 0.00 C ATOM 874 C VAL A 80 2.511 8.829 4.935 1.00 0.00 C ATOM 875 O VAL A 80 3.563 8.804 5.571 1.00 0.00 O ATOM 876 CB VAL A 80 1.014 6.873 4.438 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.262 6.028 4.217 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.126 6.007 4.957 1.00 0.00 C ATOM 0 H VAL A 80 -0.635 8.695 4.955 1.00 0.00 H new ATOM 0 HA VAL A 80 1.516 7.608 6.395 1.00 0.00 H new ATOM 0 HB VAL A 80 0.718 7.302 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.034 5.216 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.053 6.650 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.593 5.612 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.313 5.194 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.144 5.593 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.026 6.613 5.059 1.00 0.00 H new ATOM 888 N CYS A 81 2.350 9.557 3.834 1.00 0.00 N ATOM 889 CA CYS A 81 3.445 10.349 3.284 1.00 0.00 C ATOM 890 C CYS A 81 3.920 11.388 4.294 1.00 0.00 C ATOM 891 O CYS A 81 5.120 11.535 4.531 1.00 0.00 O ATOM 892 CB CYS A 81 3.016 11.055 1.991 1.00 0.00 C ATOM 893 SG CYS A 81 2.381 9.945 0.694 1.00 0.00 S ATOM 0 H CYS A 81 1.478 9.615 3.308 1.00 0.00 H new ATOM 0 HA CYS A 81 4.265 9.666 3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.246 11.789 2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.868 11.606 1.594 1.00 0.00 H new ATOM 898 N GLN A 82 2.971 12.083 4.912 1.00 0.00 N ATOM 899 CA GLN A 82 3.293 13.189 5.806 1.00 0.00 C ATOM 900 C GLN A 82 4.112 12.725 7.009 1.00 0.00 C ATOM 901 O GLN A 82 5.082 13.378 7.392 1.00 0.00 O ATOM 902 CB GLN A 82 2.011 13.888 6.268 1.00 0.00 C ATOM 903 CG GLN A 82 2.259 15.052 7.213 1.00 0.00 C ATOM 904 CD GLN A 82 1.009 15.859 7.503 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.144 15.207 7.463 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 1.081 17.059 7.762 1.00 0.00 N flip ATOM 0 H GLN A 82 1.973 11.900 4.810 1.00 0.00 H new ATOM 0 HA GLN A 82 3.904 13.899 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.469 14.250 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.368 13.160 6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.664 14.671 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.016 15.708 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.989 17.523 7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.232 17.591 7.956 1.00 0.00 H new ATOM 915 N ARG A 83 3.741 11.592 7.595 1.00 0.00 N ATOM 916 CA ARG A 83 4.450 11.091 8.769 1.00 0.00 C ATOM 917 C ARG A 83 5.810 10.505 8.406 1.00 0.00 C ATOM 918 O ARG A 83 6.673 10.351 9.269 1.00 0.00 O ATOM 919 CB ARG A 83 3.613 10.065 9.524 1.00 0.00 C ATOM 920 CG ARG A 83 2.565 10.681 10.441 1.00 0.00 C ATOM 921 CD ARG A 83 3.197 11.570 11.513 1.00 0.00 C ATOM 922 NE ARG A 83 3.508 12.916 11.021 1.00 0.00 N ATOM 923 CZ ARG A 83 4.660 13.549 11.251 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.636 12.944 11.913 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.843 14.789 10.820 1.00 0.00 N ATOM 0 H ARG A 83 2.964 11.009 7.283 1.00 0.00 H new ATOM 0 HA ARG A 83 4.621 11.946 9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.115 9.415 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.276 9.435 10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.865 11.269 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.990 9.888 10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.518 11.646 12.363 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.111 11.100 11.876 1.00 0.00 H new ATOM 0 HE ARG A 83 2.799 13.399 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.509 11.990 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.514 13.433 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.100 15.266 10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.726 15.266 11.000 1.00 0.00 H new ATOM 938 N LEU A 84 6.002 10.187 7.135 1.00 0.00 N ATOM 939 CA LEU A 84 7.299 9.727 6.652 1.00 0.00 C ATOM 940 C LEU A 84 8.163 10.914 6.234 1.00 0.00 C ATOM 941 O LEU A 84 9.214 10.742 5.616 1.00 0.00 O ATOM 942 CB LEU A 84 7.135 8.752 5.484 1.00 0.00 C ATOM 943 CG LEU A 84 7.038 7.271 5.868 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.805 6.996 6.711 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.027 6.410 4.619 1.00 0.00 C ATOM 0 H LEU A 84 5.278 10.238 6.418 1.00 0.00 H new ATOM 0 HA LEU A 84 7.796 9.201 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.237 9.025 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.979 8.879 4.806 1.00 0.00 H new ATOM 0 HG LEU A 84 7.912 7.019 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.767 5.937 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.850 7.588 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.912 7.266 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.958 5.360 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.170 6.677 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.946 6.574 4.056 1.00 0.00 H new ATOM 957 N ASN A 85 7.708 12.114 6.600 1.00 0.00 N ATOM 958 CA ASN A 85 8.397 13.361 6.266 1.00 0.00 C ATOM 959 C ASN A 85 8.400 13.595 4.764 1.00 0.00 C ATOM 960 O ASN A 85 9.370 14.095 4.194 1.00 0.00 O ATOM 961 CB ASN A 85 9.826 13.389 6.823 1.00 0.00 C ATOM 962 CG ASN A 85 9.856 13.630 8.320 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.860 14.776 8.776 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.899 12.558 9.093 1.00 0.00 N ATOM 0 H ASN A 85 6.851 12.248 7.137 1.00 0.00 H new ATOM 0 HA ASN A 85 7.845 14.173 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.319 12.443 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.394 14.171 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.937 12.662 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.894 11.627 8.675 1.00 0.00 H new ATOM 971 N CYS A 86 7.301 13.228 4.133 1.00 0.00 N ATOM 972 CA CYS A 86 7.114 13.460 2.719 1.00 0.00 C ATOM 973 C CYS A 86 5.936 14.404 2.520 1.00 0.00 C ATOM 974 O CYS A 86 5.135 14.606 3.434 1.00 0.00 O ATOM 975 CB CYS A 86 6.859 12.134 1.995 1.00 0.00 C ATOM 976 SG CYS A 86 8.050 10.814 2.409 1.00 0.00 S ATOM 0 H CYS A 86 6.516 12.762 4.588 1.00 0.00 H new ATOM 0 HA CYS A 86 8.015 13.911 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.853 11.789 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.887 12.309 0.919 1.00 0.00 H new ATOM 981 N GLY A 87 5.835 14.978 1.337 1.00 0.00 N ATOM 982 CA GLY A 87 4.750 15.891 1.051 1.00 0.00 C ATOM 983 C GLY A 87 3.542 15.183 0.478 1.00 0.00 C ATOM 984 O GLY A 87 3.317 14.005 0.756 1.00 0.00 O ATOM 0 H GLY A 87 6.486 14.829 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.464 16.411 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.092 16.650 0.347 1.00 0.00 H new ATOM 988 N ASP A 88 2.775 15.904 -0.328 1.00 0.00 N ATOM 989 CA ASP A 88 1.558 15.368 -0.937 1.00 0.00 C ATOM 990 C ASP A 88 1.843 14.110 -1.750 1.00 0.00 C ATOM 991 O ASP A 88 2.926 13.959 -2.327 1.00 0.00 O ATOM 992 CB ASP A 88 0.912 16.413 -1.851 1.00 0.00 C ATOM 993 CG ASP A 88 0.496 17.671 -1.119 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.367 18.519 -0.836 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.711 17.827 -0.835 1.00 0.00 O ATOM 0 H ASP A 88 2.974 16.872 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 88 0.878 15.113 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.613 16.676 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.038 15.975 -2.332 1.00 0.00 H new ATOM 1000 N PRO A 89 0.870 13.188 -1.802 1.00 0.00 N ATOM 1001 CA PRO A 89 0.974 11.970 -2.595 1.00 0.00 C ATOM 1002 C PRO A 89 0.759 12.254 -4.081 1.00 0.00 C ATOM 1003 O PRO A 89 -0.260 12.821 -4.474 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.139 11.063 -2.047 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.785 11.814 -0.925 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.413 13.258 -1.097 1.00 0.00 C ATOM 0 HA PRO A 89 1.962 11.515 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.865 10.827 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.270 10.116 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.867 11.688 -0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.442 11.439 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.161 13.801 -1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.319 13.767 -0.138 1.00 0.00 H new ATOM 1014 N LEU A 90 1.726 11.864 -4.895 1.00 0.00 N ATOM 1015 CA LEU A 90 1.695 12.140 -6.322 1.00 0.00 C ATOM 1016 C LEU A 90 0.973 11.035 -7.078 1.00 0.00 C ATOM 1017 O LEU A 90 0.056 11.293 -7.856 1.00 0.00 O ATOM 1018 CB LEU A 90 3.122 12.281 -6.856 1.00 0.00 C ATOM 1019 CG LEU A 90 3.926 13.453 -6.289 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.365 13.401 -6.786 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.277 14.782 -6.659 1.00 0.00 C ATOM 0 H LEU A 90 2.551 11.349 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 90 1.153 13.073 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.662 11.358 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.077 12.385 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 90 3.933 13.370 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.923 14.242 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.827 12.467 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.376 13.457 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.865 15.602 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.235 14.877 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.267 14.819 -6.252 1.00 0.00 H new ATOM 1033 N SER A 91 1.392 9.805 -6.844 1.00 0.00 N ATOM 1034 CA SER A 91 0.834 8.664 -7.542 1.00 0.00 C ATOM 1035 C SER A 91 0.670 7.478 -6.596 1.00 0.00 C ATOM 1036 O SER A 91 1.464 7.298 -5.667 1.00 0.00 O ATOM 1037 CB SER A 91 1.728 8.301 -8.730 1.00 0.00 C ATOM 1038 OG SER A 91 3.100 8.319 -8.366 1.00 0.00 O ATOM 0 H SER A 91 2.122 9.571 -6.171 1.00 0.00 H new ATOM 0 HA SER A 91 -0.156 8.925 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.461 7.311 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.556 9.004 -9.545 1.00 0.00 H new ATOM 0 HG SER A 91 3.648 8.082 -9.143 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.363 6.682 -6.838 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.691 5.551 -5.982 1.00 0.00 C ATOM 1046 C LEU A 92 -1.339 4.462 -6.831 1.00 0.00 C ATOM 1047 O LEU A 92 -2.431 4.649 -7.368 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.643 6.010 -4.863 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.770 5.087 -3.636 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.502 5.804 -2.509 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.503 3.800 -3.982 1.00 0.00 C ATOM 0 H LEU A 92 -0.995 6.802 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 92 0.212 5.152 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.314 6.990 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.636 6.141 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.762 4.831 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.585 5.140 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.947 6.698 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.499 6.088 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.575 3.172 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.505 4.037 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.956 3.267 -4.760 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.654 3.339 -6.968 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.170 2.255 -7.780 1.00 0.00 C ATOM 1065 C GLY A 93 -0.129 1.180 -8.012 1.00 0.00 C ATOM 1066 O GLY A 93 0.676 0.912 -7.126 1.00 0.00 O ATOM 0 H GLY A 93 0.250 3.157 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.041 1.818 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.506 2.648 -8.739 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.113 0.542 -9.191 1.00 0.00 N ATOM 1071 CA PRO A 94 0.867 -0.499 -9.502 1.00 0.00 C ATOM 1072 C PRO A 94 2.265 0.084 -9.712 1.00 0.00 C ATOM 1073 O PRO A 94 2.555 0.676 -10.752 1.00 0.00 O ATOM 1074 CB PRO A 94 0.331 -1.122 -10.794 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.474 -0.046 -11.434 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.039 0.786 -10.312 1.00 0.00 C ATOM 0 HA PRO A 94 0.978 -1.221 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.144 -1.446 -11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.279 -2.001 -10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.145 0.561 -12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.272 -0.469 -12.044 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.076 1.843 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.056 0.484 -10.063 1.00 0.00 H new ATOM 1084 N PHE A 95 3.124 -0.081 -8.716 1.00 0.00 N ATOM 1085 CA PHE A 95 4.465 0.488 -8.766 1.00 0.00 C ATOM 1086 C PHE A 95 5.408 -0.442 -9.517 1.00 0.00 C ATOM 1087 O PHE A 95 6.120 -0.021 -10.431 1.00 0.00 O ATOM 1088 CB PHE A 95 4.984 0.734 -7.346 1.00 0.00 C ATOM 1089 CG PHE A 95 6.310 1.438 -7.287 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.377 2.822 -7.326 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.489 0.716 -7.182 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.594 3.471 -7.262 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.707 1.362 -7.120 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.759 2.739 -7.159 1.00 0.00 C ATOM 0 H PHE A 95 2.918 -0.603 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 95 4.422 1.440 -9.296 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.248 1.324 -6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.071 -0.223 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.468 3.399 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.454 -0.363 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.634 4.550 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.619 0.789 -7.041 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.712 3.245 -7.109 1.00 0.00 H new ATOM 1104 N LEU A 96 5.393 -1.708 -9.132 1.00 0.00 N ATOM 1105 CA LEU A 96 6.267 -2.708 -9.723 1.00 0.00 C ATOM 1106 C LEU A 96 5.623 -4.080 -9.581 1.00 0.00 C ATOM 1107 O LEU A 96 4.853 -4.316 -8.653 1.00 0.00 O ATOM 1108 CB LEU A 96 7.639 -2.676 -9.031 1.00 0.00 C ATOM 1109 CG LEU A 96 8.661 -3.718 -9.513 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.966 -3.543 -10.994 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.943 -3.621 -8.699 1.00 0.00 C ATOM 0 H LEU A 96 4.777 -2.070 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 96 6.414 -2.493 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.069 -1.684 -9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.487 -2.813 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 96 8.225 -4.707 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.692 -4.294 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.049 -3.662 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.376 -2.548 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.656 -4.366 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.372 -2.625 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.721 -3.803 -7.647 1.00 0.00 H new ATOM 1123 N LYS A 97 5.921 -4.975 -10.505 1.00 0.00 N ATOM 1124 CA LYS A 97 5.342 -6.305 -10.477 1.00 0.00 C ATOM 1125 C LYS A 97 6.302 -7.288 -9.818 1.00 0.00 C ATOM 1126 O LYS A 97 7.049 -7.992 -10.495 1.00 0.00 O ATOM 1127 CB LYS A 97 4.979 -6.765 -11.890 1.00 0.00 C ATOM 1128 CG LYS A 97 3.915 -5.906 -12.563 1.00 0.00 C ATOM 1129 CD LYS A 97 3.532 -6.460 -13.927 1.00 0.00 C ATOM 1130 CE LYS A 97 4.708 -6.460 -14.892 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.356 -7.101 -16.188 1.00 0.00 N ATOM 0 H LYS A 97 6.559 -4.805 -11.282 1.00 0.00 H new ATOM 0 HA LYS A 97 4.426 -6.271 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.879 -6.761 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.627 -7.796 -11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.031 -5.856 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.285 -4.887 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.156 -7.477 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.720 -5.865 -14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.033 -5.435 -15.069 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.549 -6.988 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.214 -7.495 -16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.669 -7.864 -16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.939 -6.392 -16.824 1.00 0.00 H new ATOM 1144 N THR A 98 6.289 -7.304 -8.492 1.00 0.00 N ATOM 1145 CA THR A 98 7.125 -8.216 -7.729 1.00 0.00 C ATOM 1146 C THR A 98 6.575 -9.644 -7.813 1.00 0.00 C ATOM 1147 O THR A 98 7.331 -10.614 -7.784 1.00 0.00 O ATOM 1148 CB THR A 98 7.210 -7.765 -6.254 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.525 -6.365 -6.195 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.266 -8.555 -5.494 1.00 0.00 C ATOM 0 H THR A 98 5.705 -6.692 -7.922 1.00 0.00 H new ATOM 0 HA THR A 98 8.127 -8.202 -8.157 1.00 0.00 H new ATOM 0 HB THR A 98 6.243 -7.950 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.697 -5.842 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.301 -8.214 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.015 -9.615 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.240 -8.402 -5.960 1.00 0.00 H new ATOM 1158 N TYR A 99 5.245 -9.742 -7.916 1.00 0.00 N ATOM 1159 CA TYR A 99 4.531 -11.015 -8.119 1.00 0.00 C ATOM 1160 C TYR A 99 4.545 -11.935 -6.897 1.00 0.00 C ATOM 1161 O TYR A 99 3.647 -12.758 -6.757 1.00 0.00 O ATOM 1162 CB TYR A 99 5.073 -11.775 -9.335 1.00 0.00 C ATOM 1163 CG TYR A 99 4.621 -11.212 -10.665 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.275 -11.196 -11.010 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.536 -10.711 -11.580 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.856 -10.698 -12.226 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.124 -10.208 -12.798 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.784 -10.204 -13.116 1.00 0.00 C ATOM 1169 OH TYR A 99 3.370 -9.710 -14.330 1.00 0.00 O ATOM 0 H TYR A 99 4.625 -8.934 -7.861 1.00 0.00 H new ATOM 0 HA TYR A 99 3.494 -10.729 -8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.162 -11.766 -9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.760 -12.817 -9.268 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.544 -11.580 -10.314 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.588 -10.715 -11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.806 -10.695 -12.479 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.849 -9.820 -13.498 1.00 0.00 H new ATOM 0 HH TYR A 99 4.148 -9.400 -14.839 1.00 0.00 H new ATOM 1179 N THR A 100 5.553 -11.805 -6.036 1.00 0.00 N ATOM 1180 CA THR A 100 5.702 -12.668 -4.863 1.00 0.00 C ATOM 1181 C THR A 100 4.409 -12.743 -4.037 1.00 0.00 C ATOM 1182 O THR A 100 4.037 -11.785 -3.349 1.00 0.00 O ATOM 1183 CB THR A 100 6.853 -12.177 -3.961 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.002 -11.866 -4.765 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.226 -13.238 -2.931 1.00 0.00 C ATOM 0 H THR A 100 6.287 -11.103 -6.130 1.00 0.00 H new ATOM 0 HA THR A 100 5.931 -13.666 -5.236 1.00 0.00 H new ATOM 0 HB THR A 100 6.519 -11.283 -3.435 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.730 -11.553 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.040 -12.869 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.361 -13.459 -2.306 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.545 -14.146 -3.443 1.00 0.00 H new ATOM 1193 N PRO A 101 3.715 -13.894 -4.102 1.00 0.00 N ATOM 1194 CA PRO A 101 2.435 -14.106 -3.415 1.00 0.00 C ATOM 1195 C PRO A 101 2.586 -14.149 -1.898 1.00 0.00 C ATOM 1196 O PRO A 101 1.699 -13.721 -1.164 1.00 0.00 O ATOM 1197 CB PRO A 101 1.956 -15.470 -3.940 1.00 0.00 C ATOM 1198 CG PRO A 101 2.804 -15.757 -5.132 1.00 0.00 C ATOM 1199 CD PRO A 101 4.114 -15.080 -4.870 1.00 0.00 C ATOM 0 HA PRO A 101 1.738 -13.291 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.070 -16.245 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.900 -15.439 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.938 -16.830 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.341 -15.376 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.794 -15.718 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.623 -14.811 -5.795 1.00 0.00 H new ATOM 1207 N GLN A 102 3.718 -14.668 -1.437 1.00 0.00 N ATOM 1208 CA GLN A 102 3.984 -14.794 -0.007 1.00 0.00 C ATOM 1209 C GLN A 102 4.080 -13.422 0.656 1.00 0.00 C ATOM 1210 O GLN A 102 3.707 -13.252 1.816 1.00 0.00 O ATOM 1211 CB GLN A 102 5.283 -15.574 0.226 1.00 0.00 C ATOM 1212 CG GLN A 102 5.537 -15.928 1.683 1.00 0.00 C ATOM 1213 CD GLN A 102 4.517 -16.906 2.242 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.021 -17.802 1.401 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 4.193 -16.872 3.430 1.00 0.00 N flip ATOM 0 H GLN A 102 4.470 -15.010 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 102 3.153 -15.338 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.254 -16.492 -0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.121 -14.984 -0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.534 -16.357 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.524 -15.016 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.595 -16.168 4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.522 -17.548 3.795 1.00 0.00 H new ATOM 1224 N SER A 103 4.576 -12.450 -0.091 1.00 0.00 N ATOM 1225 CA SER A 103 4.807 -11.121 0.448 1.00 0.00 C ATOM 1226 C SER A 103 3.568 -10.236 0.319 1.00 0.00 C ATOM 1227 O SER A 103 3.311 -9.391 1.178 1.00 0.00 O ATOM 1228 CB SER A 103 5.986 -10.472 -0.277 1.00 0.00 C ATOM 1229 OG SER A 103 7.117 -11.326 -0.274 1.00 0.00 O ATOM 0 H SER A 103 4.827 -12.557 -1.074 1.00 0.00 H new ATOM 0 HA SER A 103 5.034 -11.222 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.703 -10.241 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.238 -9.527 0.205 1.00 0.00 H new ATOM 0 HG SER A 103 7.858 -10.890 -0.745 1.00 0.00 H new ATOM 1235 N SER A 104 2.794 -10.444 -0.738 1.00 0.00 N ATOM 1236 CA SER A 104 1.696 -9.543 -1.061 1.00 0.00 C ATOM 1237 C SER A 104 0.372 -9.997 -0.434 1.00 0.00 C ATOM 1238 O SER A 104 0.186 -11.173 -0.103 1.00 0.00 O ATOM 1239 CB SER A 104 1.564 -9.412 -2.582 1.00 0.00 C ATOM 1240 OG SER A 104 1.485 -10.683 -3.207 1.00 0.00 O ATOM 0 H SER A 104 2.905 -11.225 -1.384 1.00 0.00 H new ATOM 0 HA SER A 104 1.926 -8.567 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.674 -8.831 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.419 -8.863 -2.977 1.00 0.00 H new ATOM 0 HG SER A 104 2.386 -11.056 -3.305 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.540 -9.043 -0.254 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.851 -9.310 0.321 1.00 0.00 C ATOM 1248 C ILE A 105 -2.953 -8.609 -0.468 1.00 0.00 C ATOM 1249 O ILE A 105 -2.730 -7.564 -1.085 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.948 -8.845 1.792 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.491 -7.385 1.913 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.137 -9.758 2.703 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.704 -6.772 3.280 1.00 0.00 C ATOM 0 H ILE A 105 -0.388 -8.066 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.983 -10.391 0.276 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.988 -8.905 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.431 -7.327 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.025 -6.788 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.220 -9.411 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.519 -10.776 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.091 -9.740 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.353 -5.740 3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.765 -6.793 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.147 -7.341 4.025 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.138 -9.192 -0.435 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.321 -8.596 -1.030 1.00 0.00 C ATOM 1267 C ILE A 106 -6.368 -8.384 0.054 1.00 0.00 C ATOM 1268 O ILE A 106 -6.840 -9.336 0.673 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.894 -9.477 -2.166 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.016 -9.358 -3.413 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.336 -9.093 -2.485 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.424 -10.284 -4.539 1.00 0.00 C ATOM 0 H ILE A 106 -4.308 -10.096 0.007 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.044 -7.639 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.893 -10.514 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.048 -8.329 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.982 -9.568 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.713 -9.728 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.953 -9.226 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.374 -8.050 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.755 -10.142 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.364 -11.318 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.447 -10.060 -4.842 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.707 -7.136 0.304 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.627 -6.812 1.376 1.00 0.00 C ATOM 1286 C CYS A 107 -9.019 -6.579 0.812 1.00 0.00 C ATOM 1287 O CYS A 107 -9.173 -6.299 -0.376 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.144 -5.571 2.131 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.375 -5.661 3.933 1.00 0.00 S ATOM 0 H CYS A 107 -6.361 -6.331 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.666 -7.649 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.086 -5.419 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.675 -4.698 1.751 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.027 -6.703 1.655 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.402 -6.516 1.231 1.00 0.00 C ATOM 1296 C TYR A 108 -12.128 -5.589 2.193 1.00 0.00 C ATOM 1297 O TYR A 108 -11.733 -5.459 3.352 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.124 -7.867 1.122 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.948 -8.770 2.327 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.794 -8.677 3.428 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.938 -9.723 2.357 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.633 -9.506 4.523 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.772 -10.553 3.446 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.621 -10.443 4.526 1.00 0.00 C ATOM 1305 OH TYR A 108 -11.456 -11.272 5.613 1.00 0.00 O ATOM 0 H TYR A 108 -9.918 -6.934 2.643 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.402 -6.055 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.188 -7.685 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.761 -8.389 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.589 -7.946 3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.271 -9.816 1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.296 -9.420 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.979 -11.287 3.452 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.699 -11.874 5.454 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.171 -4.934 1.707 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.922 -4.016 2.537 1.00 0.00 C ATOM 1317 C GLY A 109 -13.832 -2.589 2.039 1.00 0.00 C ATOM 1318 O GLY A 109 -14.127 -2.314 0.875 1.00 0.00 O ATOM 0 H GLY A 109 -13.512 -5.022 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.967 -4.325 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.549 -4.066 3.560 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.412 -1.689 2.914 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.338 -0.271 2.585 1.00 0.00 C ATOM 1324 C GLN A 110 -11.903 0.142 2.282 1.00 0.00 C ATOM 1325 O GLN A 110 -10.964 -0.321 2.934 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.888 0.565 3.742 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.368 0.338 4.012 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.243 0.694 2.828 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.543 -0.148 1.981 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.642 1.952 2.752 1.00 0.00 N ATOM 0 H GLN A 110 -13.115 -1.915 3.863 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.942 -0.095 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.324 0.334 4.645 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.725 1.621 3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.528 -0.708 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.671 0.933 4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.371 2.618 3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.221 2.257 1.970 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.746 1.011 1.288 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.434 1.496 0.877 1.00 0.00 C ATOM 1341 C LEU A 111 -9.761 2.261 2.012 1.00 0.00 C ATOM 1342 O LEU A 111 -10.085 3.420 2.280 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.575 2.395 -0.361 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.289 3.081 -0.849 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.262 2.059 -1.312 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.603 4.061 -1.973 1.00 0.00 C ATOM 0 H LEU A 111 -12.520 1.397 0.748 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.808 0.639 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.974 1.794 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.314 3.166 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.863 3.631 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.363 2.574 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.010 1.396 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.676 1.473 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.682 4.538 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.057 3.525 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.295 4.821 -1.610 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.827 1.599 2.676 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.135 2.211 3.788 1.00 0.00 C ATOM 1360 C GLY A 112 -8.129 1.330 5.019 1.00 0.00 C ATOM 1361 O GLY A 112 -7.398 1.593 5.972 1.00 0.00 O ATOM 0 H GLY A 112 -8.535 0.645 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.108 2.431 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.609 3.163 4.028 1.00 0.00 H new ATOM 1365 N SER A 113 -8.946 0.284 5.005 1.00 0.00 N ATOM 1366 CA SER A 113 -9.013 -0.631 6.130 1.00 0.00 C ATOM 1367 C SER A 113 -8.198 -1.893 5.847 1.00 0.00 C ATOM 1368 O SER A 113 -8.461 -2.617 4.883 1.00 0.00 O ATOM 1369 CB SER A 113 -10.468 -0.987 6.441 1.00 0.00 C ATOM 1370 OG SER A 113 -10.576 -1.700 7.663 1.00 0.00 O ATOM 0 H SER A 113 -9.567 0.052 4.230 1.00 0.00 H new ATOM 0 HA SER A 113 -8.584 -0.138 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.064 -0.076 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.879 -1.588 5.630 1.00 0.00 H new ATOM 0 HG SER A 113 -11.517 -1.912 7.836 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.203 -2.131 6.687 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.344 -3.305 6.585 1.00 0.00 C ATOM 1378 C PHE A 114 -6.619 -4.241 7.757 1.00 0.00 C ATOM 1379 O PHE A 114 -5.725 -4.946 8.229 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.867 -2.897 6.617 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.436 -1.973 5.507 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.661 -0.606 5.593 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.780 -2.469 4.391 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.243 0.246 4.590 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.365 -1.619 3.383 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.594 -0.261 3.485 1.00 0.00 C ATOM 0 H PHE A 114 -6.966 -1.513 7.463 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.557 -3.807 5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.660 -2.414 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.256 -3.799 6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.170 -0.203 6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.591 -3.529 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.424 1.308 4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.861 -2.017 2.515 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.265 0.403 2.700 1.00 0.00 H new ATOM 1396 N SER A 115 -7.860 -4.233 8.223 1.00 0.00 N ATOM 1397 CA SER A 115 -8.237 -4.952 9.430 1.00 0.00 C ATOM 1398 C SER A 115 -8.022 -6.459 9.288 1.00 0.00 C ATOM 1399 O SER A 115 -7.573 -7.118 10.227 1.00 0.00 O ATOM 1400 CB SER A 115 -9.692 -4.647 9.777 1.00 0.00 C ATOM 1401 OG SER A 115 -9.885 -3.247 9.946 1.00 0.00 O ATOM 0 H SER A 115 -8.629 -3.731 7.778 1.00 0.00 H new ATOM 0 HA SER A 115 -7.592 -4.612 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.345 -5.017 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.971 -5.171 10.691 1.00 0.00 H new ATOM 0 HG SER A 115 -10.147 -2.847 9.090 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.343 -7.001 8.123 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.093 -8.409 7.848 1.00 0.00 C ATOM 1409 C ASN A 116 -7.957 -8.640 6.354 1.00 0.00 C ATOM 1410 O ASN A 116 -8.949 -8.798 5.641 1.00 0.00 O ATOM 1411 CB ASN A 116 -9.205 -9.298 8.415 1.00 0.00 C ATOM 1412 CG ASN A 116 -8.849 -10.772 8.335 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -7.678 -11.148 8.401 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -9.854 -11.620 8.198 1.00 0.00 N ATOM 0 H ASN A 116 -8.776 -6.489 7.354 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.159 -8.680 8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -9.393 -9.026 9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.129 -9.118 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.672 -12.622 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.811 -11.272 8.147 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.725 -8.655 5.886 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.449 -8.823 4.473 1.00 0.00 C ATOM 1423 C CYS A 117 -6.086 -10.274 4.176 1.00 0.00 C ATOM 1424 O CYS A 117 -5.554 -10.978 5.036 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.309 -7.893 4.060 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.528 -6.166 4.609 1.00 0.00 S ATOM 0 H CYS A 117 -5.894 -8.552 6.468 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.341 -8.568 3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.374 -8.278 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.215 -7.910 2.974 1.00 0.00 H new ATOM 1431 N SER A 118 -6.371 -10.718 2.962 1.00 0.00 N ATOM 1432 CA SER A 118 -6.124 -12.094 2.575 1.00 0.00 C ATOM 1433 C SER A 118 -4.757 -12.240 1.920 1.00 0.00 C ATOM 1434 O SER A 118 -4.364 -11.419 1.090 1.00 0.00 O ATOM 1435 CB SER A 118 -7.216 -12.568 1.617 1.00 0.00 C ATOM 1436 OG SER A 118 -8.493 -12.501 2.231 1.00 0.00 O ATOM 0 H SER A 118 -6.776 -10.140 2.225 1.00 0.00 H new ATOM 0 HA SER A 118 -6.138 -12.711 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.208 -11.953 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.012 -13.592 1.305 1.00 0.00 H new ATOM 0 HG SER A 118 -9.176 -12.807 1.599 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.032 -13.279 2.317 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.755 -13.616 1.701 1.00 0.00 C ATOM 1444 C HIS A 119 -2.965 -13.837 0.205 1.00 0.00 C ATOM 1445 O HIS A 119 -3.812 -14.636 -0.192 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.188 -14.876 2.365 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.782 -15.216 1.973 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.276 -15.712 0.819 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.291 -15.092 2.833 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 1.072 -15.878 1.004 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 1.388 -15.494 2.225 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.311 -13.908 3.070 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.043 -12.802 1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.228 -14.748 3.447 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.833 -15.720 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.239 -14.723 3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.764 -16.261 0.268 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.324 -15.506 2.630 1.00 0.00 H new ATOM 1459 N SER A 120 -2.207 -13.124 -0.617 1.00 0.00 N ATOM 1460 CA SER A 120 -2.420 -13.145 -2.058 1.00 0.00 C ATOM 1461 C SER A 120 -2.022 -14.496 -2.649 1.00 0.00 C ATOM 1462 O SER A 120 -0.864 -14.725 -2.984 1.00 0.00 O ATOM 1463 CB SER A 120 -1.633 -12.012 -2.726 1.00 0.00 C ATOM 1464 OG SER A 120 -1.914 -11.933 -4.113 1.00 0.00 O ATOM 0 H SER A 120 -1.440 -12.525 -0.311 1.00 0.00 H new ATOM 0 HA SER A 120 -3.482 -12.994 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.881 -11.064 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.565 -12.173 -2.578 1.00 0.00 H new ATOM 0 HG SER A 120 -1.088 -11.742 -4.604 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.990 -15.394 -2.761 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.748 -16.712 -3.323 1.00 0.00 C ATOM 1472 C ARG A 121 -2.965 -16.706 -4.829 1.00 0.00 C ATOM 1473 O ARG A 121 -3.736 -17.506 -5.360 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.657 -17.757 -2.675 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.404 -17.961 -1.190 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.936 -18.243 -0.902 1.00 0.00 C ATOM 1477 NE ARG A 121 -1.390 -19.284 -1.772 1.00 0.00 N ATOM 1478 CZ ARG A 121 -0.517 -20.199 -1.374 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -0.180 -20.282 -0.096 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.008 -21.048 -2.250 1.00 0.00 N ATOM 0 H ARG A 121 -3.954 -15.232 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.710 -16.973 -3.117 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.696 -17.459 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.524 -18.709 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.718 -17.073 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.012 -18.790 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.360 -17.326 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.824 -18.547 0.139 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.699 -19.308 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.592 -19.642 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.492 -20.986 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.287 -20.998 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.664 -21.753 -1.946 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.296 -15.787 -5.506 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.354 -15.704 -6.957 1.00 0.00 C ATOM 1495 C ASN A 122 -1.117 -14.979 -7.471 1.00 0.00 C ATOM 1496 O ASN A 122 -0.550 -14.138 -6.775 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.624 -14.978 -7.428 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.601 -13.489 -7.131 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.107 -12.692 -7.930 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.155 -13.105 -5.996 1.00 0.00 N ATOM 0 H ASN A 122 -1.702 -15.082 -5.070 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.383 -16.717 -7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.744 -15.127 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.492 -15.426 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.185 -12.115 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.553 -13.798 -5.362 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.700 -15.313 -8.682 1.00 0.00 N ATOM 1508 CA ASP A 123 0.483 -14.708 -9.282 1.00 0.00 C ATOM 1509 C ASP A 123 0.094 -13.596 -10.252 1.00 0.00 C ATOM 1510 O ASP A 123 0.862 -13.231 -11.141 1.00 0.00 O ATOM 1511 CB ASP A 123 1.302 -15.777 -10.011 1.00 0.00 C ATOM 1512 CG ASP A 123 0.510 -16.450 -11.113 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -0.357 -17.291 -10.798 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.746 -16.137 -12.297 1.00 0.00 O ATOM 0 H ASP A 123 -1.164 -16.003 -9.273 1.00 0.00 H new ATOM 0 HA ASP A 123 1.087 -14.271 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.197 -15.321 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.636 -16.528 -9.295 1.00 0.00 H new ATOM 1519 N MET A 124 -1.099 -13.053 -10.067 1.00 0.00 N ATOM 1520 CA MET A 124 -1.602 -11.990 -10.929 1.00 0.00 C ATOM 1521 C MET A 124 -1.633 -10.675 -10.164 1.00 0.00 C ATOM 1522 O MET A 124 -2.294 -9.717 -10.567 1.00 0.00 O ATOM 1523 CB MET A 124 -3.008 -12.327 -11.449 1.00 0.00 C ATOM 1524 CG MET A 124 -3.086 -13.625 -12.240 1.00 0.00 C ATOM 1525 SD MET A 124 -4.731 -13.941 -12.908 1.00 0.00 S ATOM 1526 CE MET A 124 -4.915 -12.545 -14.015 1.00 0.00 C ATOM 0 H MET A 124 -1.741 -13.331 -9.325 1.00 0.00 H new ATOM 0 HA MET A 124 -0.933 -11.895 -11.785 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.691 -12.389 -10.602 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.356 -11.509 -12.080 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.367 -13.589 -13.059 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.795 -14.455 -11.596 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.663 -12.778 -14.773 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.233 -11.670 -13.448 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.961 -12.336 -14.499 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.907 -10.637 -9.062 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.888 -9.466 -8.200 1.00 0.00 C ATOM 1538 C CYS A 125 0.113 -8.431 -8.692 1.00 0.00 C ATOM 1539 O CYS A 125 1.243 -8.758 -9.061 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.561 -9.861 -6.757 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.301 -8.444 -5.637 1.00 0.00 S ATOM 0 H CYS A 125 -0.320 -11.406 -8.740 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.883 -9.022 -8.230 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.373 -10.475 -6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.336 -10.481 -6.756 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.321 -7.181 -8.708 1.00 0.00 N ATOM 1547 CA HIS A 126 0.554 -6.065 -9.015 1.00 0.00 C ATOM 1548 C HIS A 126 0.813 -5.298 -7.726 1.00 0.00 C ATOM 1549 O HIS A 126 -0.125 -4.817 -7.088 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.073 -5.144 -10.078 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.224 -5.775 -11.433 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.213 -5.176 -12.598 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.788 -6.949 -11.811 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.074 -5.950 -13.627 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.682 -7.032 -13.177 1.00 0.00 N ATOM 0 H HIS A 126 -1.285 -6.914 -8.509 1.00 0.00 H new ATOM 0 HA HIS A 126 1.492 -6.437 -9.426 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.054 -4.822 -9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.541 -4.249 -10.174 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.237 -7.683 -11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.150 -5.735 -14.661 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.019 -7.805 -13.752 1.00 0.00 H new ATOM 1563 N SER A 127 2.073 -5.218 -7.325 1.00 0.00 N ATOM 1564 CA SER A 127 2.424 -4.619 -6.048 1.00 0.00 C ATOM 1565 C SER A 127 2.109 -3.125 -6.038 1.00 0.00 C ATOM 1566 O SER A 127 2.480 -2.386 -6.959 1.00 0.00 O ATOM 1567 CB SER A 127 3.900 -4.868 -5.747 1.00 0.00 C ATOM 1568 OG SER A 127 4.197 -6.255 -5.835 1.00 0.00 O ATOM 0 H SER A 127 2.868 -5.560 -7.865 1.00 0.00 H new ATOM 0 HA SER A 127 1.824 -5.086 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.520 -4.312 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.141 -4.501 -4.750 1.00 0.00 H new ATOM 0 HG SER A 127 4.801 -6.507 -5.105 1.00 0.00 H new ATOM 1574 N LEU A 128 1.417 -2.695 -4.993 1.00 0.00 N ATOM 1575 CA LEU A 128 0.977 -1.318 -4.877 1.00 0.00 C ATOM 1576 C LEU A 128 2.118 -0.440 -4.387 1.00 0.00 C ATOM 1577 O LEU A 128 2.793 -0.764 -3.405 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.227 -1.230 -3.933 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.961 0.116 -3.903 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.411 -0.089 -3.504 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.293 1.080 -2.933 1.00 0.00 C ATOM 0 H LEU A 128 1.148 -3.288 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 128 0.670 -0.958 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.941 -2.004 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.111 -1.459 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.918 0.547 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.923 0.873 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.898 -0.745 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.455 -0.542 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.833 2.027 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.305 0.653 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.738 1.251 -3.242 1.00 0.00 H new ATOM 1593 N GLY A 129 2.329 0.660 -5.082 1.00 0.00 N ATOM 1594 CA GLY A 129 3.374 1.583 -4.724 1.00 0.00 C ATOM 1595 C GLY A 129 2.844 2.975 -4.502 1.00 0.00 C ATOM 1596 O GLY A 129 1.836 3.368 -5.096 1.00 0.00 O ATOM 0 H GLY A 129 1.785 0.932 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.871 1.235 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.126 1.603 -5.512 1.00 0.00 H new ATOM 1600 N LEU A 130 3.520 3.714 -3.648 1.00 0.00 N ATOM 1601 CA LEU A 130 3.114 5.064 -3.317 1.00 0.00 C ATOM 1602 C LEU A 130 4.264 6.029 -3.582 1.00 0.00 C ATOM 1603 O LEU A 130 5.391 5.800 -3.145 1.00 0.00 O ATOM 1604 CB LEU A 130 2.688 5.127 -1.847 1.00 0.00 C ATOM 1605 CG LEU A 130 2.207 6.492 -1.347 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.970 6.945 -2.114 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.918 6.425 0.146 1.00 0.00 C ATOM 0 H LEU A 130 4.362 3.399 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 130 2.268 5.353 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.890 4.402 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.530 4.813 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 130 2.995 7.224 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.647 7.917 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.208 7.024 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.169 6.218 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.576 7.400 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.144 5.681 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.826 6.147 0.680 1.00 0.00 H new ATOM 1619 N THR A 131 3.987 7.083 -4.331 1.00 0.00 N ATOM 1620 CA THR A 131 4.983 8.098 -4.612 1.00 0.00 C ATOM 1621 C THR A 131 4.555 9.430 -4.009 1.00 0.00 C ATOM 1622 O THR A 131 3.593 10.041 -4.463 1.00 0.00 O ATOM 1623 CB THR A 131 5.194 8.258 -6.130 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.567 6.998 -6.702 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.265 9.296 -6.437 1.00 0.00 C ATOM 0 H THR A 131 3.076 7.257 -4.756 1.00 0.00 H new ATOM 0 HA THR A 131 5.925 7.783 -4.164 1.00 0.00 H new ATOM 0 HB THR A 131 4.256 8.600 -6.566 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.699 7.103 -7.667 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.388 9.383 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.965 10.260 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.209 8.988 -5.988 1.00 0.00 H new ATOM 1633 N CYS A 132 5.260 9.855 -2.976 1.00 0.00 N ATOM 1634 CA CYS A 132 4.956 11.108 -2.299 1.00 0.00 C ATOM 1635 C CYS A 132 6.030 12.142 -2.634 1.00 0.00 C ATOM 1636 O CYS A 132 7.158 11.777 -2.980 1.00 0.00 O ATOM 1637 CB CYS A 132 4.895 10.878 -0.781 1.00 0.00 C ATOM 1638 SG CYS A 132 4.048 9.335 -0.295 1.00 0.00 S ATOM 0 H CYS A 132 6.053 9.348 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 132 3.988 11.478 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.911 10.863 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.385 11.722 -0.317 1.00 0.00 H new ATOM 1643 N LEU A 133 5.673 13.423 -2.564 1.00 0.00 N ATOM 1644 CA LEU A 133 6.639 14.495 -2.783 1.00 0.00 C ATOM 1645 C LEU A 133 7.797 14.379 -1.801 1.00 0.00 C ATOM 1646 O LEU A 133 7.590 14.272 -0.593 1.00 0.00 O ATOM 1647 CB LEU A 133 5.981 15.873 -2.651 1.00 0.00 C ATOM 1648 CG LEU A 133 5.196 16.353 -3.875 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.480 17.657 -3.562 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.119 16.543 -5.071 1.00 0.00 C ATOM 0 H LEU A 133 4.726 13.742 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 133 7.020 14.393 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.307 15.853 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.757 16.606 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 133 4.458 15.591 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.926 17.988 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.789 17.503 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.212 18.417 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.538 16.884 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.880 17.285 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.601 15.596 -5.313 1.00 0.00 H new ATOM 1662 N GLU A 134 9.006 14.386 -2.330 1.00 0.00 N ATOM 1663 CA GLU A 134 10.198 14.232 -1.519 1.00 0.00 C ATOM 1664 C GLU A 134 11.162 15.373 -1.814 1.00 0.00 C ATOM 1665 O GLU A 134 11.958 15.249 -2.769 1.00 0.00 O ATOM 1666 CB GLU A 134 10.862 12.888 -1.817 1.00 0.00 C ATOM 1667 CG GLU A 134 12.011 12.547 -0.887 1.00 0.00 C ATOM 1668 CD GLU A 134 12.750 11.306 -1.331 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.332 10.188 -0.959 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.749 11.442 -2.067 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.095 16.400 -1.113 1.00 0.00 O ATOM 0 H GLU A 134 9.189 14.498 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 134 9.925 14.258 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.110 12.101 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.229 12.895 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.705 13.387 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.628 12.399 0.123 1.00 0.00 H new