USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 806 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 117:sc= -1.94! USER MOD Set 1.2: A 40 SER OG : rot 80:sc= 0.0774 USER MOD Set 1.3: A 47 GLN : amide:sc= -0.2! K(o=0.71!,f=-0.84) USER MOD Set 1.4: A 58 MET CE :methyl 165:sc= -0.148 (180deg=-0.646) USER MOD Set 1.5: A 98 THR OG1 : rot 179:sc= 1.98 USER MOD Set 1.6: A 127 SER OG : rot 163:sc= 0.952 USER MOD Set 2.1: A 70 GLN : amide:sc= 0 X(o=-0.073,f=-0.053) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= -0.0726 USER MOD Set 3.1: A 61 SER OG : rot 55:sc= -0.378 USER MOD Set 3.2: A 62 GLN : amide:sc= 0.977 K(o=0.63,f=-2.8) USER MOD Set 3.3: A 68 SER OG : rot -138:sc= 0.727 USER MOD Set 3.4: A 126 HIS : no HD1:sc= -0.697 K(o=0.63,f=-1.4) USER MOD Set 4.1: A 57 HIS : no HE2:sc= 0.657 K(o=0.66,f=-2.7!) USER MOD Set 4.2: A 119 HIS : no HE2:sc= 0 K(o=0.66,f=-1.8) USER MOD Set 5.1: A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 27 SER OG : rot 64:sc= 0.85 USER MOD Set 6.2: A 113 SER OG : rot -162:sc= -0.883 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.35 X(o=-1.3,f=-0.9) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 84:sc= 1.08 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.0355 (180deg=-0.263) USER MOD Single : A 75 SER OG : rot -62:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0.245 (180deg=0.15) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.156 F(o=-1.1,f=-0.16) USER MOD Single : A 85 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.533 K(o=0.53,f=-0.008) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -98:sc= 0.181 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.548 K(o=0.55,f=-0.49) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 119:sc= 0.521 USER MOD Single : A 122 ASN : amide:sc= -0.945 K(o=-0.94,f=-2.7) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.11 (180deg=-0.58) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -11.080 -0.530 13.852 1.00 0.00 N ATOM 2 CA ARG A 25 -10.751 -1.335 12.655 1.00 0.00 C ATOM 3 C ARG A 25 -9.605 -0.687 11.893 1.00 0.00 C ATOM 4 O ARG A 25 -9.679 0.490 11.538 1.00 0.00 O ATOM 5 CB ARG A 25 -11.985 -1.482 11.754 1.00 0.00 C ATOM 6 CG ARG A 25 -11.699 -2.186 10.437 1.00 0.00 C ATOM 7 CD ARG A 25 -12.979 -2.597 9.725 1.00 0.00 C ATOM 8 NE ARG A 25 -13.838 -1.458 9.397 1.00 0.00 N ATOM 9 CZ ARG A 25 -15.019 -1.582 8.798 1.00 0.00 C ATOM 10 NH1 ARG A 25 -15.457 -2.782 8.449 1.00 0.00 N ATOM 11 NH2 ARG A 25 -15.762 -0.516 8.540 1.00 0.00 N ATOM 0 HA ARG A 25 -10.440 -2.330 12.973 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.754 -2.036 12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.392 -0.493 11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.120 -1.526 9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.087 -3.069 10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.724 -3.130 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.532 -3.293 10.355 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.514 -0.522 9.640 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.889 -3.608 8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.362 -2.881 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.430 0.412 8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.666 -0.624 8.080 1.00 0.00 H new ATOM 23 N LEU A 26 -8.559 -1.477 11.645 1.00 0.00 N ATOM 24 CA LEU A 26 -7.309 -0.984 11.067 1.00 0.00 C ATOM 25 C LEU A 26 -7.548 -0.123 9.835 1.00 0.00 C ATOM 26 O LEU A 26 -7.949 -0.621 8.790 1.00 0.00 O ATOM 27 CB LEU A 26 -6.394 -2.155 10.697 1.00 0.00 C ATOM 28 CG LEU A 26 -5.831 -2.945 11.879 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.056 -4.154 11.384 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.933 -2.058 12.728 1.00 0.00 C ATOM 0 H LEU A 26 -8.555 -2.478 11.840 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.830 -0.364 11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.949 -2.839 10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.561 -1.771 10.108 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.663 -3.290 12.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.661 -4.707 12.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.719 -4.800 10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.232 -3.824 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.540 -2.634 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.106 -1.690 12.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.509 -1.214 13.107 1.00 0.00 H new ATOM 42 N SER A 27 -7.315 1.165 9.984 1.00 0.00 N ATOM 43 CA SER A 27 -7.421 2.103 8.883 1.00 0.00 C ATOM 44 C SER A 27 -6.156 2.951 8.817 1.00 0.00 C ATOM 45 O SER A 27 -5.490 3.158 9.833 1.00 0.00 O ATOM 46 CB SER A 27 -8.652 2.993 9.079 1.00 0.00 C ATOM 47 OG SER A 27 -9.823 2.210 9.260 1.00 0.00 O ATOM 0 H SER A 27 -7.047 1.592 10.871 1.00 0.00 H new ATOM 0 HA SER A 27 -7.531 1.558 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.504 3.638 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.776 3.644 8.214 1.00 0.00 H new ATOM 0 HG SER A 27 -9.743 1.688 10.086 1.00 0.00 H new ATOM 53 N TRP A 28 -5.821 3.456 7.628 1.00 0.00 N ATOM 54 CA TRP A 28 -4.596 4.238 7.449 1.00 0.00 C ATOM 55 C TRP A 28 -4.713 5.648 8.033 1.00 0.00 C ATOM 56 O TRP A 28 -4.058 6.581 7.569 1.00 0.00 O ATOM 57 CB TRP A 28 -4.170 4.297 5.971 1.00 0.00 C ATOM 58 CG TRP A 28 -5.256 4.652 4.989 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.365 5.419 5.207 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.307 4.262 3.612 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.114 5.507 4.057 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.482 4.808 3.062 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.474 3.495 2.793 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.841 4.612 1.730 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.831 3.304 1.471 1.00 0.00 C ATOM 66 CH2 TRP A 28 -6.006 3.860 0.953 1.00 0.00 C ATOM 0 H TRP A 28 -6.376 3.339 6.780 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.818 3.718 8.007 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.365 5.026 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.757 3.327 5.692 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.617 5.888 6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.996 6.010 3.960 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.567 3.059 3.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.747 5.039 1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.193 2.716 0.828 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.258 3.691 -0.083 1.00 0.00 H new ATOM 77 N TYR A 29 -5.542 5.789 9.056 1.00 0.00 N ATOM 78 CA TYR A 29 -5.647 7.034 9.798 1.00 0.00 C ATOM 79 C TYR A 29 -5.388 6.800 11.282 1.00 0.00 C ATOM 80 O TYR A 29 -5.191 7.750 12.040 1.00 0.00 O ATOM 81 CB TYR A 29 -7.029 7.663 9.615 1.00 0.00 C ATOM 82 CG TYR A 29 -7.299 8.162 8.215 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.714 9.333 7.755 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.138 7.467 7.357 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.958 9.798 6.481 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.387 7.926 6.080 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.794 9.093 5.647 1.00 0.00 C ATOM 88 OH TYR A 29 -8.033 9.551 4.372 1.00 0.00 O ATOM 0 H TYR A 29 -6.157 5.048 9.393 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.893 7.717 9.407 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.789 6.928 9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.133 8.495 10.312 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.056 9.889 8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.604 6.552 7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.495 10.712 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.043 7.374 5.423 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.644 8.937 3.913 1.00 0.00 H new ATOM 98 N ASP A 30 -5.364 5.529 11.692 1.00 0.00 N ATOM 99 CA ASP A 30 -5.228 5.182 13.106 1.00 0.00 C ATOM 100 C ASP A 30 -3.855 5.561 13.635 1.00 0.00 C ATOM 101 O ASP A 30 -2.863 5.443 12.912 1.00 0.00 O ATOM 102 CB ASP A 30 -5.463 3.688 13.348 1.00 0.00 C ATOM 103 CG ASP A 30 -6.903 3.268 13.135 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.807 3.932 13.684 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.139 2.264 12.437 1.00 0.00 O ATOM 0 H ASP A 30 -5.437 4.727 11.066 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.990 5.749 13.640 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.821 3.113 12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.166 3.441 14.367 1.00 0.00 H new ATOM 110 N PRO A 31 -3.780 6.018 14.893 1.00 0.00 N ATOM 111 CA PRO A 31 -2.532 6.484 15.499 1.00 0.00 C ATOM 112 C PRO A 31 -1.390 5.490 15.312 1.00 0.00 C ATOM 113 O PRO A 31 -0.319 5.844 14.809 1.00 0.00 O ATOM 114 CB PRO A 31 -2.872 6.642 16.990 1.00 0.00 C ATOM 115 CG PRO A 31 -4.237 6.059 17.167 1.00 0.00 C ATOM 116 CD PRO A 31 -4.905 6.113 15.825 1.00 0.00 C ATOM 0 HA PRO A 31 -2.185 7.408 15.037 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.143 6.124 17.613 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.855 7.691 17.285 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.176 5.032 17.528 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.806 6.623 17.906 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.610 5.292 15.692 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.464 7.039 15.690 1.00 0.00 H new ATOM 124 N ASP A 32 -1.639 4.236 15.669 1.00 0.00 N ATOM 125 CA ASP A 32 -0.607 3.209 15.610 1.00 0.00 C ATOM 126 C ASP A 32 -0.706 2.387 14.334 1.00 0.00 C ATOM 127 O ASP A 32 -0.409 1.190 14.337 1.00 0.00 O ATOM 128 CB ASP A 32 -0.676 2.270 16.818 1.00 0.00 C ATOM 129 CG ASP A 32 -0.158 2.905 18.093 1.00 0.00 C ATOM 130 OD1 ASP A 32 1.023 3.311 18.125 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.922 2.974 19.078 1.00 0.00 O ATOM 0 H ASP A 32 -2.545 3.906 16.002 1.00 0.00 H new ATOM 0 HA ASP A 32 0.349 3.733 15.621 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.709 1.956 16.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.098 1.371 16.606 1.00 0.00 H new ATOM 136 N PHE A 33 -1.142 3.007 13.245 1.00 0.00 N ATOM 137 CA PHE A 33 -1.114 2.336 11.956 1.00 0.00 C ATOM 138 C PHE A 33 0.320 2.282 11.448 1.00 0.00 C ATOM 139 O PHE A 33 0.861 3.275 10.956 1.00 0.00 O ATOM 140 CB PHE A 33 -2.022 3.028 10.934 1.00 0.00 C ATOM 141 CG PHE A 33 -2.007 2.355 9.589 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.524 1.078 9.432 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.463 2.994 8.487 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.499 0.453 8.203 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.432 2.372 7.254 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.951 1.099 7.112 1.00 0.00 C ATOM 0 H PHE A 33 -1.513 3.957 13.229 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.495 1.323 12.087 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.043 3.045 11.315 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.707 4.065 10.819 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.951 0.567 10.282 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.059 3.990 8.593 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.908 -0.541 8.094 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.003 2.879 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.928 0.610 6.149 1.00 0.00 H new ATOM 156 N GLN A 34 0.935 1.121 11.595 1.00 0.00 N ATOM 157 CA GLN A 34 2.329 0.940 11.237 1.00 0.00 C ATOM 158 C GLN A 34 2.467 0.591 9.762 1.00 0.00 C ATOM 159 O GLN A 34 2.017 -0.469 9.317 1.00 0.00 O ATOM 160 CB GLN A 34 2.944 -0.159 12.103 1.00 0.00 C ATOM 161 CG GLN A 34 2.959 0.169 13.589 1.00 0.00 C ATOM 162 CD GLN A 34 3.336 -1.022 14.444 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.061 -2.169 14.090 1.00 0.00 O ATOM 164 NE2 GLN A 34 3.962 -0.762 15.577 1.00 0.00 N ATOM 0 H GLN A 34 0.485 0.283 11.963 1.00 0.00 H new ATOM 0 HA GLN A 34 2.860 1.875 11.414 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.388 -1.084 11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.966 -0.342 11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.664 0.980 13.771 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.975 0.529 13.888 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.172 0.203 15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.236 -1.526 16.195 1.00 0.00 H new ATOM 173 N ALA A 35 3.088 1.488 9.010 1.00 0.00 N ATOM 174 CA ALA A 35 3.280 1.297 7.582 1.00 0.00 C ATOM 175 C ALA A 35 4.594 1.919 7.132 1.00 0.00 C ATOM 176 O ALA A 35 5.145 2.783 7.814 1.00 0.00 O ATOM 177 CB ALA A 35 2.117 1.897 6.806 1.00 0.00 C ATOM 0 H ALA A 35 3.470 2.362 9.370 1.00 0.00 H new ATOM 0 HA ALA A 35 3.318 0.227 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.276 1.746 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.189 1.411 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.052 2.965 7.016 1.00 0.00 H new ATOM 183 N ARG A 36 5.087 1.466 5.991 1.00 0.00 N ATOM 184 CA ARG A 36 6.342 1.947 5.444 1.00 0.00 C ATOM 185 C ARG A 36 6.353 1.776 3.929 1.00 0.00 C ATOM 186 O ARG A 36 5.417 1.225 3.348 1.00 0.00 O ATOM 187 CB ARG A 36 7.515 1.151 6.022 1.00 0.00 C ATOM 188 CG ARG A 36 7.550 -0.295 5.539 1.00 0.00 C ATOM 189 CD ARG A 36 8.949 -0.888 5.591 1.00 0.00 C ATOM 190 NE ARG A 36 9.467 -0.998 6.953 1.00 0.00 N ATOM 191 CZ ARG A 36 10.127 -2.058 7.402 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.290 -3.118 6.622 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.612 -2.070 8.631 1.00 0.00 N ATOM 0 H ARG A 36 4.629 0.756 5.420 1.00 0.00 H new ATOM 0 HA ARG A 36 6.442 3.000 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.449 1.642 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.454 1.163 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.880 -0.897 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.175 -0.343 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.937 -1.876 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.623 -0.269 5.000 1.00 0.00 H new ATOM 0 HE ARG A 36 9.313 -0.218 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.908 -3.119 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.797 -3.932 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.480 -1.262 9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.119 -2.887 8.971 1.00 0.00 H new ATOM 206 N LEU A 37 7.419 2.251 3.311 1.00 0.00 N ATOM 207 CA LEU A 37 7.710 1.942 1.925 1.00 0.00 C ATOM 208 C LEU A 37 8.919 1.024 1.897 1.00 0.00 C ATOM 209 O LEU A 37 9.971 1.382 2.417 1.00 0.00 O ATOM 210 CB LEU A 37 7.970 3.218 1.125 1.00 0.00 C ATOM 211 CG LEU A 37 6.790 4.186 1.077 1.00 0.00 C ATOM 212 CD1 LEU A 37 7.177 5.461 0.360 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.593 3.537 0.403 1.00 0.00 C ATOM 0 H LEU A 37 8.105 2.861 3.756 1.00 0.00 H new ATOM 0 HA LEU A 37 6.856 1.447 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.829 3.733 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.241 2.944 0.105 1.00 0.00 H new ATOM 0 HG LEU A 37 6.512 4.438 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.323 6.138 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.004 5.938 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.483 5.227 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.762 4.242 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.858 3.253 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.298 2.649 0.962 1.00 0.00 H new ATOM 225 N THR A 38 8.737 -0.161 1.317 1.00 0.00 N ATOM 226 CA THR A 38 9.720 -1.250 1.388 1.00 0.00 C ATOM 227 C THR A 38 11.162 -0.789 1.134 1.00 0.00 C ATOM 228 O THR A 38 11.908 -0.497 2.070 1.00 0.00 O ATOM 229 CB THR A 38 9.361 -2.369 0.389 1.00 0.00 C ATOM 230 OG1 THR A 38 9.108 -1.800 -0.905 1.00 0.00 O ATOM 231 CG2 THR A 38 8.136 -3.150 0.847 1.00 0.00 C ATOM 0 H THR A 38 7.902 -0.398 0.782 1.00 0.00 H new ATOM 0 HA THR A 38 9.676 -1.625 2.410 1.00 0.00 H new ATOM 0 HB THR A 38 10.205 -3.057 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.770 -2.136 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.910 -3.931 0.121 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.336 -3.604 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.284 -2.475 0.931 1.00 0.00 H new ATOM 239 N ARG A 39 11.554 -0.769 -0.132 1.00 0.00 N ATOM 240 CA ARG A 39 12.877 -0.296 -0.533 1.00 0.00 C ATOM 241 C ARG A 39 12.757 0.330 -1.915 1.00 0.00 C ATOM 242 O ARG A 39 12.754 1.553 -2.055 1.00 0.00 O ATOM 243 CB ARG A 39 13.925 -1.431 -0.575 1.00 0.00 C ATOM 244 CG ARG A 39 13.768 -2.507 0.493 1.00 0.00 C ATOM 245 CD ARG A 39 12.835 -3.615 0.025 1.00 0.00 C ATOM 246 NE ARG A 39 12.543 -4.585 1.079 1.00 0.00 N ATOM 247 CZ ARG A 39 13.037 -5.820 1.099 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.927 -6.192 0.188 1.00 0.00 N ATOM 249 NH2 ARG A 39 12.661 -6.679 2.030 1.00 0.00 N ATOM 0 H ARG A 39 10.969 -1.078 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 39 13.220 0.428 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.881 -1.907 -1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.917 -0.990 -0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.744 -2.928 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.377 -2.061 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.902 -3.175 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.285 -4.130 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 39 11.927 -4.299 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.232 -5.531 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.306 -7.139 0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.986 -6.397 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.045 -7.624 2.037 1.00 0.00 H new ATOM 262 N SER A 40 12.653 -0.536 -2.924 1.00 0.00 N ATOM 263 CA SER A 40 12.341 -0.135 -4.295 1.00 0.00 C ATOM 264 C SER A 40 13.467 0.675 -4.938 1.00 0.00 C ATOM 265 O SER A 40 14.288 0.121 -5.672 1.00 0.00 O ATOM 266 CB SER A 40 11.013 0.630 -4.329 1.00 0.00 C ATOM 267 OG SER A 40 9.963 -0.173 -3.804 1.00 0.00 O ATOM 0 H SER A 40 12.784 -1.541 -2.811 1.00 0.00 H new ATOM 0 HA SER A 40 12.240 -1.043 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.101 1.549 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.780 0.920 -5.353 1.00 0.00 H new ATOM 0 HG SER A 40 9.993 -0.152 -2.825 1.00 0.00 H new ATOM 273 N ASN A 41 13.530 1.972 -4.646 1.00 0.00 N ATOM 274 CA ASN A 41 14.477 2.852 -5.323 1.00 0.00 C ATOM 275 C ASN A 41 14.499 4.243 -4.689 1.00 0.00 C ATOM 276 O ASN A 41 15.567 4.790 -4.397 1.00 0.00 O ATOM 277 CB ASN A 41 14.114 2.951 -6.809 1.00 0.00 C ATOM 278 CG ASN A 41 15.153 3.688 -7.632 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.076 4.901 -7.811 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.123 2.954 -8.153 1.00 0.00 N ATOM 0 H ASN A 41 12.942 2.433 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 41 15.475 2.427 -5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.987 1.947 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.155 3.459 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.843 3.393 -8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.151 1.949 -7.980 1.00 0.00 H new ATOM 287 N SER A 42 13.318 4.809 -4.477 1.00 0.00 N ATOM 288 CA SER A 42 13.199 6.141 -3.900 1.00 0.00 C ATOM 289 C SER A 42 12.835 6.060 -2.421 1.00 0.00 C ATOM 290 O SER A 42 12.297 5.056 -1.955 1.00 0.00 O ATOM 291 CB SER A 42 12.147 6.942 -4.663 1.00 0.00 C ATOM 292 OG SER A 42 12.455 6.995 -6.045 1.00 0.00 O ATOM 0 H SER A 42 12.427 4.365 -4.697 1.00 0.00 H new ATOM 0 HA SER A 42 14.162 6.645 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.166 6.488 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.091 7.953 -4.260 1.00 0.00 H new ATOM 0 HG SER A 42 11.767 7.512 -6.514 1.00 0.00 H new ATOM 298 N LYS A 43 13.132 7.130 -1.694 1.00 0.00 N ATOM 299 CA LYS A 43 12.933 7.163 -0.250 1.00 0.00 C ATOM 300 C LYS A 43 11.460 7.311 0.105 1.00 0.00 C ATOM 301 O LYS A 43 10.984 6.714 1.069 1.00 0.00 O ATOM 302 CB LYS A 43 13.737 8.305 0.381 1.00 0.00 C ATOM 303 CG LYS A 43 15.246 8.153 0.234 1.00 0.00 C ATOM 304 CD LYS A 43 15.749 6.863 0.866 1.00 0.00 C ATOM 305 CE LYS A 43 15.523 6.843 2.370 1.00 0.00 C ATOM 306 NZ LYS A 43 15.897 5.533 2.966 1.00 0.00 N ATOM 0 H LYS A 43 13.514 7.992 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 43 13.288 6.213 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.431 9.247 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.490 8.368 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.511 8.167 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.744 9.004 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.240 6.013 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.812 6.747 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.109 7.635 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.475 7.054 2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.729 5.558 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.321 4.780 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.903 5.344 2.784 1.00 0.00 H new ATOM 319 N CYS A 44 10.742 8.110 -0.669 1.00 0.00 N ATOM 320 CA CYS A 44 9.323 8.329 -0.425 1.00 0.00 C ATOM 321 C CYS A 44 8.488 7.834 -1.595 1.00 0.00 C ATOM 322 O CYS A 44 7.316 8.188 -1.734 1.00 0.00 O ATOM 323 CB CYS A 44 9.046 9.813 -0.188 1.00 0.00 C ATOM 324 SG CYS A 44 9.959 10.528 1.214 1.00 0.00 S ATOM 0 H CYS A 44 11.117 8.617 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 44 9.045 7.765 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.299 10.367 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.978 9.949 -0.019 1.00 0.00 H new ATOM 329 N GLN A 45 9.090 7.010 -2.436 1.00 0.00 N ATOM 330 CA GLN A 45 8.403 6.492 -3.609 1.00 0.00 C ATOM 331 C GLN A 45 8.739 5.016 -3.788 1.00 0.00 C ATOM 332 O GLN A 45 9.810 4.670 -4.289 1.00 0.00 O ATOM 333 CB GLN A 45 8.805 7.288 -4.860 1.00 0.00 C ATOM 334 CG GLN A 45 8.758 8.805 -4.674 1.00 0.00 C ATOM 335 CD GLN A 45 9.181 9.576 -5.912 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.713 10.685 -5.817 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.949 9.001 -7.079 1.00 0.00 N ATOM 0 H GLN A 45 10.051 6.685 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 45 7.327 6.598 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.814 6.999 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.144 7.012 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.745 9.099 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.406 9.082 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.507 8.083 -7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.212 9.476 -7.943 1.00 0.00 H new ATOM 346 N GLY A 46 7.832 4.147 -3.368 1.00 0.00 N ATOM 347 CA GLY A 46 8.109 2.725 -3.427 1.00 0.00 C ATOM 348 C GLY A 46 6.914 1.874 -3.062 1.00 0.00 C ATOM 349 O GLY A 46 5.803 2.384 -2.906 1.00 0.00 O ATOM 0 H GLY A 46 6.918 4.396 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.438 2.466 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.933 2.493 -2.752 1.00 0.00 H new ATOM 353 N GLN A 47 7.149 0.573 -2.927 1.00 0.00 N ATOM 354 CA GLN A 47 6.098 -0.380 -2.582 1.00 0.00 C ATOM 355 C GLN A 47 5.604 -0.154 -1.156 1.00 0.00 C ATOM 356 O GLN A 47 6.407 -0.045 -0.225 1.00 0.00 O ATOM 357 CB GLN A 47 6.618 -1.811 -2.705 1.00 0.00 C ATOM 358 CG GLN A 47 7.226 -2.139 -4.058 1.00 0.00 C ATOM 359 CD GLN A 47 7.902 -3.497 -4.069 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.924 -4.185 -5.088 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.473 -3.882 -2.937 1.00 0.00 N ATOM 0 H GLN A 47 8.069 0.150 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 47 5.271 -0.227 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.367 -1.981 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.797 -2.502 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.446 -2.117 -4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.953 -1.371 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.431 -3.280 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.954 -4.780 -2.888 1.00 0.00 H new ATOM 370 N LEU A 48 4.288 -0.097 -0.990 1.00 0.00 N ATOM 371 CA LEU A 48 3.691 0.088 0.327 1.00 0.00 C ATOM 372 C LEU A 48 3.740 -1.210 1.130 1.00 0.00 C ATOM 373 O LEU A 48 3.344 -2.274 0.642 1.00 0.00 O ATOM 374 CB LEU A 48 2.241 0.570 0.196 1.00 0.00 C ATOM 375 CG LEU A 48 1.541 0.915 1.518 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.202 2.110 2.188 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.067 1.192 1.277 1.00 0.00 C ATOM 0 H LEU A 48 3.614 -0.176 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 48 4.268 0.846 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.225 1.452 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.663 -0.203 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 48 1.633 0.058 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.687 2.334 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.247 1.879 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.146 2.975 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.417 1.435 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.038 2.031 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.403 0.309 0.845 1.00 0.00 H new ATOM 389 N GLU A 49 4.236 -1.112 2.354 1.00 0.00 N ATOM 390 CA GLU A 49 4.331 -2.256 3.246 1.00 0.00 C ATOM 391 C GLU A 49 3.696 -1.899 4.584 1.00 0.00 C ATOM 392 O GLU A 49 3.983 -0.845 5.147 1.00 0.00 O ATOM 393 CB GLU A 49 5.804 -2.654 3.438 1.00 0.00 C ATOM 394 CG GLU A 49 6.006 -3.989 4.139 1.00 0.00 C ATOM 395 CD GLU A 49 7.462 -4.421 4.169 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.245 -3.847 4.952 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.832 -5.339 3.407 1.00 0.00 O ATOM 0 H GLU A 49 4.583 -0.241 2.755 1.00 0.00 H new ATOM 0 HA GLU A 49 3.802 -3.105 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.288 -2.693 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.307 -1.876 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.631 -3.919 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.415 -4.753 3.634 1.00 0.00 H new ATOM 404 N VAL A 50 2.817 -2.756 5.076 1.00 0.00 N ATOM 405 CA VAL A 50 2.116 -2.484 6.329 1.00 0.00 C ATOM 406 C VAL A 50 2.337 -3.609 7.333 1.00 0.00 C ATOM 407 O VAL A 50 2.614 -4.750 6.953 1.00 0.00 O ATOM 408 CB VAL A 50 0.596 -2.282 6.114 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.331 -1.112 5.175 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.055 -3.549 5.582 1.00 0.00 C ATOM 0 H VAL A 50 2.570 -3.641 4.634 1.00 0.00 H new ATOM 0 HA VAL A 50 2.533 -1.557 6.723 1.00 0.00 H new ATOM 0 HB VAL A 50 0.152 -2.053 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.744 -0.990 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.748 -0.200 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.798 -1.307 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.122 -3.378 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.399 -3.818 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.091 -4.360 6.295 1.00 0.00 H new ATOM 420 N TYR A 51 2.223 -3.284 8.615 1.00 0.00 N ATOM 421 CA TYR A 51 2.428 -4.269 9.665 1.00 0.00 C ATOM 422 C TYR A 51 1.096 -4.834 10.144 1.00 0.00 C ATOM 423 O TYR A 51 0.425 -4.240 10.994 1.00 0.00 O ATOM 424 CB TYR A 51 3.188 -3.664 10.852 1.00 0.00 C ATOM 425 CG TYR A 51 3.692 -4.705 11.835 1.00 0.00 C ATOM 426 CD1 TYR A 51 2.912 -5.123 12.908 1.00 0.00 C ATOM 427 CD2 TYR A 51 4.947 -5.276 11.680 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.371 -6.080 13.794 1.00 0.00 C ATOM 429 CE2 TYR A 51 5.413 -6.230 12.562 1.00 0.00 C ATOM 430 CZ TYR A 51 4.622 -6.630 13.617 1.00 0.00 C ATOM 431 OH TYR A 51 5.083 -7.588 14.494 1.00 0.00 O ATOM 0 H TYR A 51 1.991 -2.349 8.950 1.00 0.00 H new ATOM 0 HA TYR A 51 3.026 -5.077 9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.034 -3.088 10.477 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.534 -2.966 11.376 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.932 -4.693 13.051 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.571 -4.968 10.854 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.752 -6.395 14.621 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.394 -6.661 12.426 1.00 0.00 H new ATOM 0 HH TYR A 51 5.982 -7.872 14.226 1.00 0.00 H new ATOM 441 N LEU A 52 0.718 -5.977 9.589 1.00 0.00 N ATOM 442 CA LEU A 52 -0.460 -6.697 10.053 1.00 0.00 C ATOM 443 C LEU A 52 -0.103 -7.498 11.298 1.00 0.00 C ATOM 444 O LEU A 52 1.018 -7.395 11.796 1.00 0.00 O ATOM 445 CB LEU A 52 -0.992 -7.646 8.973 1.00 0.00 C ATOM 446 CG LEU A 52 -1.402 -7.005 7.646 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.907 -8.073 6.691 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.469 -5.941 7.862 1.00 0.00 C ATOM 0 H LEU A 52 1.210 -6.426 8.817 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.238 -5.969 10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.226 -8.394 8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.855 -8.175 9.378 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.527 -6.521 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.197 -7.610 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.117 -8.802 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.770 -8.575 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.743 -5.501 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.349 -6.395 8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.080 -5.164 8.520 1.00 0.00 H new ATOM 460 N LYS A 53 -1.030 -8.310 11.787 1.00 0.00 N ATOM 461 CA LYS A 53 -0.767 -9.126 12.968 1.00 0.00 C ATOM 462 C LYS A 53 0.379 -10.098 12.689 1.00 0.00 C ATOM 463 O LYS A 53 1.215 -10.359 13.555 1.00 0.00 O ATOM 464 CB LYS A 53 -2.025 -9.894 13.398 1.00 0.00 C ATOM 465 CG LYS A 53 -3.273 -9.024 13.526 1.00 0.00 C ATOM 466 CD LYS A 53 -3.031 -7.784 14.377 1.00 0.00 C ATOM 467 CE LYS A 53 -2.711 -8.133 15.820 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.475 -6.917 16.641 1.00 0.00 N ATOM 0 H LYS A 53 -1.963 -8.422 11.390 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.480 -8.464 13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.220 -10.685 12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.833 -10.378 14.356 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.605 -8.721 12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.079 -9.612 13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.208 -7.209 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.914 -7.146 14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.534 -8.706 16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.828 -8.771 15.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.260 -7.195 17.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.673 -6.383 16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.327 -6.320 16.630 1.00 0.00 H new ATOM 481 N ASP A 54 0.411 -10.609 11.461 1.00 0.00 N ATOM 482 CA ASP A 54 1.476 -11.502 11.011 1.00 0.00 C ATOM 483 C ASP A 54 2.811 -10.765 10.932 1.00 0.00 C ATOM 484 O ASP A 54 3.870 -11.347 11.170 1.00 0.00 O ATOM 485 CB ASP A 54 1.145 -12.080 9.631 1.00 0.00 C ATOM 486 CG ASP A 54 -0.234 -12.707 9.563 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.215 -11.966 9.348 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.340 -13.941 9.725 1.00 0.00 O ATOM 0 H ASP A 54 -0.297 -10.417 10.752 1.00 0.00 H new ATOM 0 HA ASP A 54 1.556 -12.310 11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.214 -11.288 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.892 -12.830 9.369 1.00 0.00 H new ATOM 493 N GLY A 55 2.756 -9.485 10.587 1.00 0.00 N ATOM 494 CA GLY A 55 3.967 -8.708 10.431 1.00 0.00 C ATOM 495 C GLY A 55 3.956 -7.874 9.166 1.00 0.00 C ATOM 496 O GLY A 55 2.910 -7.740 8.519 1.00 0.00 O ATOM 0 H GLY A 55 1.892 -8.972 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.090 -8.054 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.826 -9.378 10.414 1.00 0.00 H new ATOM 500 N TRP A 56 5.118 -7.331 8.806 1.00 0.00 N ATOM 501 CA TRP A 56 5.254 -6.489 7.618 1.00 0.00 C ATOM 502 C TRP A 56 4.920 -7.271 6.354 1.00 0.00 C ATOM 503 O TRP A 56 5.499 -8.327 6.098 1.00 0.00 O ATOM 504 CB TRP A 56 6.678 -5.926 7.509 1.00 0.00 C ATOM 505 CG TRP A 56 7.011 -4.915 8.566 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.827 -5.093 9.647 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.537 -3.566 8.640 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.885 -3.937 10.389 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.101 -2.986 9.792 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.690 -2.792 7.844 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.843 -1.670 10.165 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.436 -1.487 8.217 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.009 -0.938 9.367 1.00 0.00 C ATOM 0 H TRP A 56 5.986 -7.461 9.325 1.00 0.00 H new ATOM 0 HA TRP A 56 4.550 -5.663 7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.390 -6.749 7.569 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.803 -5.467 6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.350 -6.008 9.884 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.424 -3.809 11.245 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.242 -3.206 6.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.286 -1.243 11.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.782 -0.879 7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.788 0.086 9.631 1.00 0.00 H new ATOM 524 N HIS A 57 3.973 -6.756 5.583 1.00 0.00 N ATOM 525 CA HIS A 57 3.566 -7.380 4.331 1.00 0.00 C ATOM 526 C HIS A 57 3.301 -6.320 3.272 1.00 0.00 C ATOM 527 O HIS A 57 2.881 -5.205 3.589 1.00 0.00 O ATOM 528 CB HIS A 57 2.314 -8.240 4.535 1.00 0.00 C ATOM 529 CG HIS A 57 2.598 -9.570 5.165 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.649 -9.766 6.530 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.850 -10.777 4.605 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.921 -11.033 6.782 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.045 -11.670 5.633 1.00 0.00 N ATOM 0 H HIS A 57 3.467 -5.899 5.805 1.00 0.00 H new ATOM 0 HA HIS A 57 4.378 -8.023 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.606 -7.695 5.160 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.831 -8.399 3.571 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.500 -9.044 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.890 -10.997 3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.025 -11.474 7.763 1.00 0.00 H new ATOM 541 N MET A 58 3.549 -6.678 2.021 1.00 0.00 N ATOM 542 CA MET A 58 3.388 -5.755 0.903 1.00 0.00 C ATOM 543 C MET A 58 1.921 -5.634 0.514 1.00 0.00 C ATOM 544 O MET A 58 1.197 -6.624 0.520 1.00 0.00 O ATOM 545 CB MET A 58 4.181 -6.252 -0.308 1.00 0.00 C ATOM 546 CG MET A 58 5.690 -6.196 -0.145 1.00 0.00 C ATOM 547 SD MET A 58 6.555 -7.047 -1.483 1.00 0.00 S ATOM 548 CE MET A 58 5.807 -6.280 -2.922 1.00 0.00 C ATOM 0 H MET A 58 3.865 -7.609 1.751 1.00 0.00 H new ATOM 0 HA MET A 58 3.760 -4.779 1.215 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.890 -7.281 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.901 -5.657 -1.178 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.011 -5.155 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.967 -6.646 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.409 -6.497 -3.804 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.801 -6.675 -3.063 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.755 -5.201 -2.774 1.00 0.00 H new ATOM 558 N VAL A 59 1.484 -4.432 0.161 1.00 0.00 N ATOM 559 CA VAL A 59 0.109 -4.233 -0.282 1.00 0.00 C ATOM 560 C VAL A 59 0.011 -4.430 -1.794 1.00 0.00 C ATOM 561 O VAL A 59 0.836 -3.919 -2.554 1.00 0.00 O ATOM 562 CB VAL A 59 -0.435 -2.834 0.103 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.887 -2.677 -0.330 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.302 -2.594 1.601 1.00 0.00 C ATOM 0 H VAL A 59 2.055 -3.587 0.172 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.506 -4.975 0.227 1.00 0.00 H new ATOM 0 HB VAL A 59 0.163 -2.088 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.246 -1.687 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.959 -2.795 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.497 -3.436 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.690 -1.606 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.868 -3.352 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.748 -2.653 1.887 1.00 0.00 H new ATOM 574 N CYS A 60 -0.984 -5.192 -2.221 1.00 0.00 N ATOM 575 CA CYS A 60 -1.167 -5.498 -3.631 1.00 0.00 C ATOM 576 C CYS A 60 -2.304 -4.656 -4.212 1.00 0.00 C ATOM 577 O CYS A 60 -3.249 -4.292 -3.505 1.00 0.00 O ATOM 578 CB CYS A 60 -1.448 -6.995 -3.799 1.00 0.00 C ATOM 579 SG CYS A 60 -1.481 -7.579 -5.525 1.00 0.00 S ATOM 0 H CYS A 60 -1.681 -5.612 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.256 -5.252 -4.177 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.688 -7.556 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.407 -7.224 -3.334 1.00 0.00 H new ATOM 584 N SER A 61 -2.189 -4.354 -5.504 1.00 0.00 N ATOM 585 CA SER A 61 -3.056 -3.399 -6.193 1.00 0.00 C ATOM 586 C SER A 61 -4.539 -3.780 -6.178 1.00 0.00 C ATOM 587 O SER A 61 -5.396 -2.914 -6.321 1.00 0.00 O ATOM 588 CB SER A 61 -2.582 -3.256 -7.641 1.00 0.00 C ATOM 589 OG SER A 61 -2.415 -4.530 -8.249 1.00 0.00 O ATOM 0 H SER A 61 -1.482 -4.771 -6.110 1.00 0.00 H new ATOM 0 HA SER A 61 -2.979 -2.457 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.305 -2.670 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.639 -2.710 -7.667 1.00 0.00 H new ATOM 0 HG SER A 61 -3.246 -5.043 -8.166 1.00 0.00 H new ATOM 595 N GLN A 62 -4.839 -5.062 -6.009 1.00 0.00 N ATOM 596 CA GLN A 62 -6.224 -5.542 -6.072 1.00 0.00 C ATOM 597 C GLN A 62 -7.007 -5.237 -4.792 1.00 0.00 C ATOM 598 O GLN A 62 -8.135 -5.705 -4.620 1.00 0.00 O ATOM 599 CB GLN A 62 -6.250 -7.050 -6.345 1.00 0.00 C ATOM 600 CG GLN A 62 -6.459 -7.426 -7.806 1.00 0.00 C ATOM 601 CD GLN A 62 -5.445 -6.810 -8.754 1.00 0.00 C ATOM 602 OE1 GLN A 62 -4.293 -6.563 -8.396 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.874 -6.560 -9.979 1.00 0.00 N ATOM 0 H GLN A 62 -4.148 -5.790 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.709 -5.008 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.311 -7.484 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.045 -7.500 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.417 -8.511 -7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.459 -7.118 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.836 -6.779 -10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.243 -6.148 -10.666 1.00 0.00 H new ATOM 612 N SER A 63 -6.423 -4.451 -3.903 1.00 0.00 N ATOM 613 CA SER A 63 -7.066 -4.134 -2.638 1.00 0.00 C ATOM 614 C SER A 63 -8.173 -3.092 -2.828 1.00 0.00 C ATOM 615 O SER A 63 -8.096 -2.248 -3.719 1.00 0.00 O ATOM 616 CB SER A 63 -6.027 -3.629 -1.636 1.00 0.00 C ATOM 617 OG SER A 63 -5.042 -4.621 -1.392 1.00 0.00 O ATOM 0 H SER A 63 -5.507 -4.021 -4.033 1.00 0.00 H new ATOM 0 HA SER A 63 -7.524 -5.043 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.553 -2.726 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.518 -3.359 -0.701 1.00 0.00 H new ATOM 0 HG SER A 63 -4.351 -4.573 -2.085 1.00 0.00 H new ATOM 623 N TRP A 64 -9.210 -3.196 -2.001 1.00 0.00 N ATOM 624 CA TRP A 64 -10.314 -2.228 -1.957 1.00 0.00 C ATOM 625 C TRP A 64 -11.039 -2.114 -3.298 1.00 0.00 C ATOM 626 O TRP A 64 -11.712 -1.115 -3.570 1.00 0.00 O ATOM 627 CB TRP A 64 -9.805 -0.852 -1.514 1.00 0.00 C ATOM 628 CG TRP A 64 -9.019 -0.907 -0.239 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.481 -1.251 0.996 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.627 -0.619 -0.083 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.459 -1.203 1.911 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.312 -0.815 1.273 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.617 -0.219 -0.960 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.030 -0.624 1.772 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.342 -0.028 -0.462 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.059 -0.231 0.891 1.00 0.00 C ATOM 0 H TRP A 64 -9.313 -3.961 -1.334 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.034 -2.598 -1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.182 -0.429 -2.302 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.654 -0.180 -1.384 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.502 -1.522 1.222 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.541 -1.421 2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.828 -0.062 -2.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.807 -0.780 2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.552 0.283 -1.129 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.052 -0.074 1.249 1.00 0.00 H new ATOM 647 N GLY A 65 -10.909 -3.143 -4.122 1.00 0.00 N ATOM 648 CA GLY A 65 -11.563 -3.147 -5.416 1.00 0.00 C ATOM 649 C GLY A 65 -10.906 -2.200 -6.400 1.00 0.00 C ATOM 650 O GLY A 65 -11.531 -1.775 -7.371 1.00 0.00 O ATOM 0 H GLY A 65 -10.361 -3.978 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.548 -4.158 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.609 -2.869 -5.292 1.00 0.00 H new ATOM 654 N ARG A 66 -9.646 -1.861 -6.144 1.00 0.00 N ATOM 655 CA ARG A 66 -8.897 -0.991 -7.037 1.00 0.00 C ATOM 656 C ARG A 66 -8.519 -1.727 -8.310 1.00 0.00 C ATOM 657 O ARG A 66 -8.286 -2.937 -8.305 1.00 0.00 O ATOM 658 CB ARG A 66 -7.626 -0.469 -6.361 1.00 0.00 C ATOM 659 CG ARG A 66 -7.860 0.596 -5.299 1.00 0.00 C ATOM 660 CD ARG A 66 -8.482 1.852 -5.891 1.00 0.00 C ATOM 661 NE ARG A 66 -8.153 3.039 -5.106 1.00 0.00 N ATOM 662 CZ ARG A 66 -9.020 4.004 -4.817 1.00 0.00 C ATOM 663 NH1 ARG A 66 -10.291 3.898 -5.179 1.00 0.00 N ATOM 664 NH2 ARG A 66 -8.617 5.076 -4.154 1.00 0.00 N ATOM 0 H ARG A 66 -9.125 -2.176 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.539 -0.146 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.103 -1.309 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.966 -0.060 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.512 0.198 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.913 0.849 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.132 1.984 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.565 1.735 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.199 3.133 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.610 3.071 -5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.950 4.643 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.642 5.161 -3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.281 5.818 -3.931 1.00 0.00 H new ATOM 677 N SER A 67 -8.483 -0.991 -9.399 1.00 0.00 N ATOM 678 CA SER A 67 -8.033 -1.514 -10.665 1.00 0.00 C ATOM 679 C SER A 67 -6.532 -1.294 -10.810 1.00 0.00 C ATOM 680 O SER A 67 -5.975 -0.369 -10.218 1.00 0.00 O ATOM 681 CB SER A 67 -8.800 -0.830 -11.794 1.00 0.00 C ATOM 682 OG SER A 67 -8.955 0.558 -11.542 1.00 0.00 O ATOM 0 H SER A 67 -8.766 -0.012 -9.429 1.00 0.00 H new ATOM 0 HA SER A 67 -8.224 -2.586 -10.714 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.271 -0.974 -12.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.780 -1.294 -11.904 1.00 0.00 H new ATOM 0 HG SER A 67 -9.448 0.972 -12.281 1.00 0.00 H new ATOM 688 N SER A 68 -5.875 -2.145 -11.585 1.00 0.00 N ATOM 689 CA SER A 68 -4.436 -2.036 -11.795 1.00 0.00 C ATOM 690 C SER A 68 -4.109 -0.949 -12.822 1.00 0.00 C ATOM 691 O SER A 68 -3.257 -1.128 -13.697 1.00 0.00 O ATOM 692 CB SER A 68 -3.867 -3.385 -12.231 1.00 0.00 C ATOM 693 OG SER A 68 -4.061 -4.364 -11.220 1.00 0.00 O ATOM 0 H SER A 68 -6.315 -2.920 -12.080 1.00 0.00 H new ATOM 0 HA SER A 68 -3.971 -1.748 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.350 -3.708 -13.153 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.803 -3.284 -12.446 1.00 0.00 H new ATOM 0 HG SER A 68 -3.252 -4.910 -11.134 1.00 0.00 H new ATOM 699 N LYS A 69 -4.792 0.177 -12.689 1.00 0.00 N ATOM 700 CA LYS A 69 -4.581 1.344 -13.530 1.00 0.00 C ATOM 701 C LYS A 69 -4.761 2.585 -12.668 1.00 0.00 C ATOM 702 O LYS A 69 -5.347 2.506 -11.587 1.00 0.00 O ATOM 703 CB LYS A 69 -5.566 1.363 -14.710 1.00 0.00 C ATOM 704 CG LYS A 69 -5.397 0.194 -15.677 1.00 0.00 C ATOM 705 CD LYS A 69 -6.314 0.317 -16.884 1.00 0.00 C ATOM 706 CE LYS A 69 -5.929 1.494 -17.768 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.559 1.348 -18.329 1.00 0.00 N ATOM 0 H LYS A 69 -5.518 0.307 -11.985 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.575 1.316 -13.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.584 1.355 -14.321 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.442 2.296 -15.259 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.361 0.147 -16.012 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.606 -0.741 -15.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.274 -0.603 -17.466 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.344 0.437 -16.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.646 1.584 -18.584 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.987 2.416 -17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.436 2.010 -19.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.857 1.558 -17.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.425 0.374 -18.668 1.00 0.00 H new ATOM 720 N GLN A 70 -4.263 3.720 -13.128 1.00 0.00 N ATOM 721 CA GLN A 70 -4.291 4.932 -12.327 1.00 0.00 C ATOM 722 C GLN A 70 -5.678 5.574 -12.354 1.00 0.00 C ATOM 723 O GLN A 70 -6.030 6.283 -13.303 1.00 0.00 O ATOM 724 CB GLN A 70 -3.231 5.925 -12.817 1.00 0.00 C ATOM 725 CG GLN A 70 -3.145 7.189 -11.976 1.00 0.00 C ATOM 726 CD GLN A 70 -2.069 8.140 -12.458 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.314 8.998 -13.304 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.869 8.003 -11.916 1.00 0.00 N ATOM 0 H GLN A 70 -3.836 3.828 -14.048 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.063 4.661 -11.296 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.258 5.433 -12.819 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.452 6.199 -13.849 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.109 7.698 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.946 6.918 -10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.705 7.279 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.109 8.622 -12.198 1.00 0.00 H new ATOM 737 N TRP A 71 -6.468 5.303 -11.325 1.00 0.00 N ATOM 738 CA TRP A 71 -7.776 5.925 -11.187 1.00 0.00 C ATOM 739 C TRP A 71 -7.614 7.323 -10.585 1.00 0.00 C ATOM 740 O TRP A 71 -6.518 7.707 -10.174 1.00 0.00 O ATOM 741 CB TRP A 71 -8.699 5.054 -10.322 1.00 0.00 C ATOM 742 CG TRP A 71 -10.148 5.418 -10.454 1.00 0.00 C ATOM 743 CD1 TRP A 71 -10.881 5.437 -11.605 1.00 0.00 C ATOM 744 CD2 TRP A 71 -11.043 5.806 -9.403 1.00 0.00 C ATOM 745 NE1 TRP A 71 -12.168 5.829 -11.340 1.00 0.00 N ATOM 746 CE2 TRP A 71 -12.295 6.059 -9.996 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.910 5.970 -8.023 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -13.401 6.465 -9.257 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.012 6.373 -7.292 1.00 0.00 C ATOM 750 CH2 TRP A 71 -13.242 6.615 -7.909 1.00 0.00 C ATOM 0 H TRP A 71 -6.226 4.657 -10.574 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.237 6.018 -12.170 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.567 4.008 -10.600 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.401 5.146 -9.277 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.502 5.180 -12.583 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.910 5.933 -12.032 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.964 5.786 -7.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.352 6.655 -9.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.920 6.503 -6.224 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.083 6.927 -7.308 1.00 0.00 H new ATOM 761 N GLU A 72 -8.705 8.071 -10.521 1.00 0.00 N ATOM 762 CA GLU A 72 -8.649 9.488 -10.182 1.00 0.00 C ATOM 763 C GLU A 72 -8.759 9.723 -8.675 1.00 0.00 C ATOM 764 O GLU A 72 -9.338 10.716 -8.234 1.00 0.00 O ATOM 765 CB GLU A 72 -9.765 10.231 -10.920 1.00 0.00 C ATOM 766 CG GLU A 72 -9.708 10.069 -12.434 1.00 0.00 C ATOM 767 CD GLU A 72 -8.554 10.814 -13.074 1.00 0.00 C ATOM 768 OE1 GLU A 72 -7.385 10.492 -12.778 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.815 11.719 -13.895 1.00 0.00 O ATOM 0 H GLU A 72 -9.646 7.719 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.678 9.873 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.729 9.871 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.709 11.291 -10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.626 9.009 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.644 10.423 -12.866 1.00 0.00 H new ATOM 776 N ASP A 73 -8.188 8.813 -7.893 1.00 0.00 N ATOM 777 CA ASP A 73 -8.178 8.939 -6.434 1.00 0.00 C ATOM 778 C ASP A 73 -6.955 8.222 -5.850 1.00 0.00 C ATOM 779 O ASP A 73 -7.077 7.250 -5.110 1.00 0.00 O ATOM 780 CB ASP A 73 -9.474 8.366 -5.844 1.00 0.00 C ATOM 781 CG ASP A 73 -9.559 8.504 -4.334 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.543 9.643 -3.835 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.679 7.467 -3.644 1.00 0.00 O ATOM 0 H ASP A 73 -7.723 7.976 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.117 9.995 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.326 8.873 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.551 7.312 -6.111 1.00 0.00 H new ATOM 788 N PRO A 74 -5.743 8.677 -6.202 1.00 0.00 N ATOM 789 CA PRO A 74 -4.507 8.040 -5.786 1.00 0.00 C ATOM 790 C PRO A 74 -3.784 8.783 -4.660 1.00 0.00 C ATOM 791 O PRO A 74 -2.601 8.548 -4.415 1.00 0.00 O ATOM 792 CB PRO A 74 -3.705 8.133 -7.078 1.00 0.00 C ATOM 793 CG PRO A 74 -4.106 9.450 -7.677 1.00 0.00 C ATOM 794 CD PRO A 74 -5.449 9.822 -7.076 1.00 0.00 C ATOM 0 HA PRO A 74 -4.656 7.039 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.633 8.096 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.936 7.305 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.361 10.215 -7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.177 9.374 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.397 10.756 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.213 9.952 -7.842 1.00 0.00 H new ATOM 802 N SER A 75 -4.483 9.679 -3.981 1.00 0.00 N ATOM 803 CA SER A 75 -3.844 10.508 -2.971 1.00 0.00 C ATOM 804 C SER A 75 -4.402 10.279 -1.567 1.00 0.00 C ATOM 805 O SER A 75 -4.162 11.080 -0.665 1.00 0.00 O ATOM 806 CB SER A 75 -3.975 11.980 -3.354 1.00 0.00 C ATOM 807 OG SER A 75 -3.401 12.215 -4.628 1.00 0.00 O ATOM 0 H SER A 75 -5.481 9.850 -4.108 1.00 0.00 H new ATOM 0 HA SER A 75 -2.793 10.220 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.027 12.267 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.482 12.602 -2.606 1.00 0.00 H new ATOM 0 HG SER A 75 -2.444 12.007 -4.599 1.00 0.00 H new ATOM 813 N GLN A 76 -5.120 9.183 -1.363 1.00 0.00 N ATOM 814 CA GLN A 76 -5.632 8.868 -0.036 1.00 0.00 C ATOM 815 C GLN A 76 -4.619 8.044 0.752 1.00 0.00 C ATOM 816 O GLN A 76 -4.829 6.862 1.000 1.00 0.00 O ATOM 817 CB GLN A 76 -6.971 8.129 -0.108 1.00 0.00 C ATOM 818 CG GLN A 76 -8.149 9.029 -0.459 1.00 0.00 C ATOM 819 CD GLN A 76 -9.484 8.416 -0.084 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.964 8.589 1.036 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.104 7.716 -1.016 1.00 0.00 N ATOM 0 H GLN A 76 -5.359 8.506 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.797 9.813 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.898 7.335 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.164 7.651 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.036 9.985 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.137 9.237 -1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.674 7.594 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.013 7.297 -0.819 1.00 0.00 H new ATOM 830 N ALA A 77 -3.519 8.680 1.136 1.00 0.00 N ATOM 831 CA ALA A 77 -2.481 8.020 1.924 1.00 0.00 C ATOM 832 C ALA A 77 -1.545 9.050 2.544 1.00 0.00 C ATOM 833 O ALA A 77 -0.365 8.777 2.780 1.00 0.00 O ATOM 834 CB ALA A 77 -1.694 7.041 1.062 1.00 0.00 C ATOM 0 H ALA A 77 -3.321 9.656 0.914 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.964 7.462 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.926 6.560 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.369 6.284 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.224 7.578 0.238 1.00 0.00 H new ATOM 840 N SER A 78 -2.090 10.229 2.812 1.00 0.00 N ATOM 841 CA SER A 78 -1.309 11.352 3.320 1.00 0.00 C ATOM 842 C SER A 78 -0.606 11.015 4.637 1.00 0.00 C ATOM 843 O SER A 78 0.577 11.310 4.806 1.00 0.00 O ATOM 844 CB SER A 78 -2.221 12.560 3.508 1.00 0.00 C ATOM 845 OG SER A 78 -3.006 12.780 2.348 1.00 0.00 O ATOM 0 H SER A 78 -3.081 10.435 2.685 1.00 0.00 H new ATOM 0 HA SER A 78 -0.534 11.580 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.871 12.401 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.621 13.445 3.721 1.00 0.00 H new ATOM 0 HG SER A 78 -3.586 13.558 2.488 1.00 0.00 H new ATOM 851 N LYS A 79 -1.342 10.399 5.561 1.00 0.00 N ATOM 852 CA LYS A 79 -0.798 10.006 6.860 1.00 0.00 C ATOM 853 C LYS A 79 0.450 9.139 6.701 1.00 0.00 C ATOM 854 O LYS A 79 1.405 9.273 7.466 1.00 0.00 O ATOM 855 CB LYS A 79 -1.877 9.273 7.681 1.00 0.00 C ATOM 856 CG LYS A 79 -1.407 8.765 9.040 1.00 0.00 C ATOM 857 CD LYS A 79 -0.874 7.337 8.963 1.00 0.00 C ATOM 858 CE LYS A 79 -0.149 6.930 10.238 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.028 6.973 11.440 1.00 0.00 N ATOM 0 H LYS A 79 -2.325 10.160 5.432 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.501 10.908 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.720 9.947 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.245 8.428 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.627 9.423 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.235 8.805 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.701 6.651 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.194 7.249 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.247 5.922 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.703 7.591 10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.468 6.753 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.440 7.923 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.790 6.273 11.338 1.00 0.00 H new ATOM 872 N VAL A 80 0.450 8.269 5.699 1.00 0.00 N ATOM 873 CA VAL A 80 1.586 7.389 5.465 1.00 0.00 C ATOM 874 C VAL A 80 2.798 8.203 5.027 1.00 0.00 C ATOM 875 O VAL A 80 3.869 8.113 5.627 1.00 0.00 O ATOM 876 CB VAL A 80 1.275 6.310 4.404 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.483 5.408 4.186 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.059 5.487 4.812 1.00 0.00 C ATOM 0 H VAL A 80 -0.319 8.155 5.039 1.00 0.00 H new ATOM 0 HA VAL A 80 1.801 6.881 6.405 1.00 0.00 H new ATOM 0 HB VAL A 80 1.047 6.813 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.244 4.655 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.327 6.007 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.744 4.916 5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.142 4.733 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.255 4.997 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.807 6.142 4.912 1.00 0.00 H new ATOM 888 N CYS A 81 2.608 9.024 3.997 1.00 0.00 N ATOM 889 CA CYS A 81 3.681 9.875 3.491 1.00 0.00 C ATOM 890 C CYS A 81 4.184 10.830 4.571 1.00 0.00 C ATOM 891 O CYS A 81 5.389 11.021 4.725 1.00 0.00 O ATOM 892 CB CYS A 81 3.209 10.681 2.273 1.00 0.00 C ATOM 893 SG CYS A 81 2.763 9.676 0.819 1.00 0.00 S ATOM 0 H CYS A 81 1.723 9.118 3.498 1.00 0.00 H new ATOM 0 HA CYS A 81 4.501 9.222 3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.345 11.279 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.997 11.378 1.988 1.00 0.00 H new ATOM 898 N GLN A 82 3.263 11.410 5.332 1.00 0.00 N ATOM 899 CA GLN A 82 3.623 12.405 6.333 1.00 0.00 C ATOM 900 C GLN A 82 4.449 11.787 7.456 1.00 0.00 C ATOM 901 O GLN A 82 5.414 12.386 7.924 1.00 0.00 O ATOM 902 CB GLN A 82 2.377 13.086 6.905 1.00 0.00 C ATOM 903 CG GLN A 82 2.701 14.282 7.789 1.00 0.00 C ATOM 904 CD GLN A 82 3.485 15.357 7.052 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.225 15.502 5.759 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 4.308 16.060 7.639 1.00 0.00 N flip ATOM 0 H GLN A 82 2.265 11.209 5.275 1.00 0.00 H new ATOM 0 HA GLN A 82 4.233 13.160 5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.739 13.412 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.806 12.359 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.774 14.710 8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.275 13.946 8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.481 15.919 8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.816 16.783 7.130 1.00 0.00 H new ATOM 915 N ARG A 83 4.089 10.580 7.869 1.00 0.00 N ATOM 916 CA ARG A 83 4.814 9.905 8.940 1.00 0.00 C ATOM 917 C ARG A 83 6.192 9.445 8.475 1.00 0.00 C ATOM 918 O ARG A 83 7.035 9.060 9.285 1.00 0.00 O ATOM 919 CB ARG A 83 4.002 8.729 9.488 1.00 0.00 C ATOM 920 CG ARG A 83 2.866 9.161 10.402 1.00 0.00 C ATOM 921 CD ARG A 83 3.400 9.772 11.687 1.00 0.00 C ATOM 922 NE ARG A 83 2.367 10.477 12.440 1.00 0.00 N ATOM 923 CZ ARG A 83 2.633 11.389 13.368 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.890 11.694 13.657 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.652 12.007 13.999 1.00 0.00 N ATOM 0 H ARG A 83 3.307 10.051 7.484 1.00 0.00 H new ATOM 0 HA ARG A 83 4.961 10.624 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.592 8.159 8.654 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.666 8.061 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.235 9.885 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.238 8.302 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.827 8.986 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.208 10.464 11.449 1.00 0.00 H new ATOM 0 HE ARG A 83 1.390 10.258 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.654 11.228 13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.094 12.395 14.370 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.682 11.785 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.864 12.706 14.711 1.00 0.00 H new ATOM 938 N LEU A 84 6.414 9.484 7.170 1.00 0.00 N ATOM 939 CA LEU A 84 7.732 9.211 6.611 1.00 0.00 C ATOM 940 C LEU A 84 8.464 10.521 6.311 1.00 0.00 C ATOM 941 O LEU A 84 9.559 10.521 5.744 1.00 0.00 O ATOM 942 CB LEU A 84 7.596 8.374 5.338 1.00 0.00 C ATOM 943 CG LEU A 84 6.878 7.036 5.518 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.725 6.336 4.182 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.628 6.147 6.497 1.00 0.00 C ATOM 0 H LEU A 84 5.699 9.702 6.476 1.00 0.00 H new ATOM 0 HA LEU A 84 8.315 8.649 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.059 8.960 4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.592 8.184 4.938 1.00 0.00 H new ATOM 0 HG LEU A 84 5.887 7.233 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.212 5.385 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.143 6.963 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.710 6.155 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.098 5.201 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.633 5.958 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.691 6.644 7.465 1.00 0.00 H new ATOM 957 N ASN A 85 7.841 11.628 6.725 1.00 0.00 N ATOM 958 CA ASN A 85 8.338 12.981 6.463 1.00 0.00 C ATOM 959 C ASN A 85 8.468 13.217 4.960 1.00 0.00 C ATOM 960 O ASN A 85 9.505 13.665 4.463 1.00 0.00 O ATOM 961 CB ASN A 85 9.671 13.238 7.176 1.00 0.00 C ATOM 962 CG ASN A 85 10.055 14.708 7.153 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.191 15.586 7.135 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.349 14.985 7.150 1.00 0.00 N ATOM 0 H ASN A 85 6.970 11.610 7.256 1.00 0.00 H new ATOM 0 HA ASN A 85 7.613 13.689 6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.601 12.898 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.456 12.651 6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.663 15.955 7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.033 14.228 7.165 1.00 0.00 H new ATOM 971 N CYS A 86 7.404 12.895 4.244 1.00 0.00 N ATOM 972 CA CYS A 86 7.370 13.042 2.802 1.00 0.00 C ATOM 973 C CYS A 86 6.167 13.887 2.392 1.00 0.00 C ATOM 974 O CYS A 86 5.288 14.163 3.214 1.00 0.00 O ATOM 975 CB CYS A 86 7.299 11.660 2.147 1.00 0.00 C ATOM 976 SG CYS A 86 8.595 10.510 2.714 1.00 0.00 S ATOM 0 H CYS A 86 6.543 12.525 4.646 1.00 0.00 H new ATOM 0 HA CYS A 86 8.277 13.546 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.322 11.221 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.377 11.776 1.066 1.00 0.00 H new ATOM 981 N GLY A 87 6.132 14.298 1.132 1.00 0.00 N ATOM 982 CA GLY A 87 5.052 15.133 0.654 1.00 0.00 C ATOM 983 C GLY A 87 3.803 14.344 0.326 1.00 0.00 C ATOM 984 O GLY A 87 3.758 13.130 0.532 1.00 0.00 O ATOM 0 H GLY A 87 6.836 14.066 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.815 15.882 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.381 15.671 -0.235 1.00 0.00 H new ATOM 988 N ASP A 88 2.800 15.037 -0.198 1.00 0.00 N ATOM 989 CA ASP A 88 1.507 14.429 -0.521 1.00 0.00 C ATOM 990 C ASP A 88 1.669 13.317 -1.551 1.00 0.00 C ATOM 991 O ASP A 88 2.642 13.298 -2.310 1.00 0.00 O ATOM 992 CB ASP A 88 0.541 15.485 -1.065 1.00 0.00 C ATOM 993 CG ASP A 88 0.278 16.615 -0.090 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.557 16.442 0.824 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.897 17.690 -0.243 1.00 0.00 O ATOM 0 H ASP A 88 2.855 16.033 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 88 1.101 14.004 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.947 15.898 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.405 15.006 -1.319 1.00 0.00 H new ATOM 1000 N PRO A 89 0.717 12.372 -1.594 1.00 0.00 N ATOM 1001 CA PRO A 89 0.757 11.253 -2.528 1.00 0.00 C ATOM 1002 C PRO A 89 0.426 11.683 -3.954 1.00 0.00 C ATOM 1003 O PRO A 89 -0.716 12.031 -4.264 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.312 10.283 -2.006 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.815 10.861 -0.726 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.473 12.321 -0.742 1.00 0.00 C ATOM 0 HA PRO A 89 1.752 10.811 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.122 10.173 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.109 9.291 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.892 10.718 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.354 10.366 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.287 12.922 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.268 12.698 0.260 1.00 0.00 H new ATOM 1014 N LEU A 90 1.435 11.658 -4.810 1.00 0.00 N ATOM 1015 CA LEU A 90 1.271 11.999 -6.216 1.00 0.00 C ATOM 1016 C LEU A 90 0.493 10.890 -6.907 1.00 0.00 C ATOM 1017 O LEU A 90 -0.420 11.140 -7.690 1.00 0.00 O ATOM 1018 CB LEU A 90 2.650 12.166 -6.878 1.00 0.00 C ATOM 1019 CG LEU A 90 2.725 13.118 -8.086 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.157 13.213 -8.588 1.00 0.00 C ATOM 1021 CD2 LEU A 90 1.810 12.667 -9.217 1.00 0.00 C ATOM 0 H LEU A 90 2.388 11.402 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 90 0.725 12.938 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.350 12.520 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.996 11.183 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 90 2.388 14.100 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.199 13.889 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.797 13.594 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.503 12.224 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.891 13.364 -10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.104 11.671 -9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.779 12.643 -8.863 1.00 0.00 H new ATOM 1033 N SER A 91 0.857 9.657 -6.597 1.00 0.00 N ATOM 1034 CA SER A 91 0.244 8.506 -7.226 1.00 0.00 C ATOM 1035 C SER A 91 0.290 7.299 -6.298 1.00 0.00 C ATOM 1036 O SER A 91 1.293 7.057 -5.629 1.00 0.00 O ATOM 1037 CB SER A 91 0.957 8.184 -8.544 1.00 0.00 C ATOM 1038 OG SER A 91 0.907 9.289 -9.433 1.00 0.00 O ATOM 0 H SER A 91 1.577 9.430 -5.911 1.00 0.00 H new ATOM 0 HA SER A 91 -0.800 8.742 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.996 7.920 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.491 7.316 -9.011 1.00 0.00 H new ATOM 0 HG SER A 91 1.370 9.060 -10.266 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.809 6.566 -6.256 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.889 5.320 -5.509 1.00 0.00 C ATOM 1046 C LEU A 92 -1.493 4.253 -6.406 1.00 0.00 C ATOM 1047 O LEU A 92 -2.700 4.251 -6.656 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.745 5.489 -4.246 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.953 4.214 -3.420 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -0.650 3.750 -2.785 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.018 4.434 -2.353 1.00 0.00 C ATOM 0 H LEU A 92 -1.672 6.817 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 92 0.113 5.026 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.280 6.242 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.721 5.876 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.295 3.430 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.830 2.844 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.082 3.542 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.267 4.531 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.151 3.518 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.705 5.239 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.961 4.703 -2.830 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.652 3.374 -6.916 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.119 2.363 -7.844 1.00 0.00 C ATOM 1065 C GLY A 93 -0.032 1.372 -8.196 1.00 0.00 C ATOM 1066 O GLY A 93 0.954 1.268 -7.476 1.00 0.00 O ATOM 0 H GLY A 93 0.346 3.339 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.965 1.833 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.479 2.844 -8.753 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.182 0.628 -9.301 1.00 0.00 N ATOM 1071 CA PRO A 94 0.818 -0.354 -9.736 1.00 0.00 C ATOM 1072 C PRO A 94 2.138 0.312 -10.121 1.00 0.00 C ATOM 1073 O PRO A 94 2.276 0.853 -11.218 1.00 0.00 O ATOM 1074 CB PRO A 94 0.174 -1.015 -10.962 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.270 -0.652 -10.896 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.329 0.685 -10.218 1.00 0.00 C ATOM 0 HA PRO A 94 1.067 -1.061 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.627 -0.655 -11.886 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.308 -2.096 -10.941 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.706 -0.603 -11.894 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.835 -1.398 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.239 1.505 -10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.269 0.828 -9.684 1.00 0.00 H new ATOM 1084 N PHE A 95 3.102 0.274 -9.210 1.00 0.00 N ATOM 1085 CA PHE A 95 4.389 0.919 -9.438 1.00 0.00 C ATOM 1086 C PHE A 95 5.373 -0.069 -10.045 1.00 0.00 C ATOM 1087 O PHE A 95 6.156 0.277 -10.931 1.00 0.00 O ATOM 1088 CB PHE A 95 4.944 1.466 -8.118 1.00 0.00 C ATOM 1089 CG PHE A 95 6.107 2.405 -8.284 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.896 3.740 -8.589 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.411 1.957 -8.129 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.959 4.609 -8.739 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.479 2.822 -8.277 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.253 4.151 -8.582 1.00 0.00 C ATOM 0 H PHE A 95 3.018 -0.195 -8.308 1.00 0.00 H new ATOM 0 HA PHE A 95 4.247 1.746 -10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.145 1.984 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.253 0.629 -7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.887 4.106 -8.711 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.594 0.920 -7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.779 5.646 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.489 2.460 -8.154 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.085 4.829 -8.697 1.00 0.00 H new ATOM 1104 N LEU A 96 5.320 -1.303 -9.564 1.00 0.00 N ATOM 1105 CA LEU A 96 6.229 -2.347 -10.017 1.00 0.00 C ATOM 1106 C LEU A 96 5.477 -3.655 -10.219 1.00 0.00 C ATOM 1107 O LEU A 96 4.481 -3.921 -9.542 1.00 0.00 O ATOM 1108 CB LEU A 96 7.356 -2.558 -8.998 1.00 0.00 C ATOM 1109 CG LEU A 96 8.316 -1.375 -8.821 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.311 -1.654 -7.705 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.053 -1.085 -10.119 1.00 0.00 C ATOM 0 H LEU A 96 4.652 -1.607 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 96 6.661 -2.031 -10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.909 -2.789 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.935 -3.431 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 96 7.727 -0.498 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.983 -0.803 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.774 -1.815 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.890 -2.545 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.729 -0.243 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.626 -1.963 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.333 -0.841 -10.900 1.00 0.00 H new ATOM 1123 N LYS A 97 5.949 -4.468 -11.148 1.00 0.00 N ATOM 1124 CA LYS A 97 5.357 -5.775 -11.376 1.00 0.00 C ATOM 1125 C LYS A 97 6.246 -6.858 -10.780 1.00 0.00 C ATOM 1126 O LYS A 97 6.688 -7.774 -11.474 1.00 0.00 O ATOM 1127 CB LYS A 97 5.132 -6.034 -12.869 1.00 0.00 C ATOM 1128 CG LYS A 97 4.176 -5.051 -13.530 1.00 0.00 C ATOM 1129 CD LYS A 97 3.804 -5.502 -14.932 1.00 0.00 C ATOM 1130 CE LYS A 97 2.886 -4.500 -15.613 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.403 -4.992 -16.931 1.00 0.00 N ATOM 0 H LYS A 97 6.738 -4.247 -11.755 1.00 0.00 H new ATOM 0 HA LYS A 97 4.384 -5.797 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.092 -5.993 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.744 -7.045 -12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.274 -4.955 -12.925 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.638 -4.065 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.709 -5.631 -15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.313 -6.474 -14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.032 -4.294 -14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.416 -3.558 -15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.780 -4.279 -17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.216 -5.164 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.875 -5.878 -16.798 1.00 0.00 H new ATOM 1144 N THR A 98 6.502 -6.732 -9.483 1.00 0.00 N ATOM 1145 CA THR A 98 7.326 -7.682 -8.750 1.00 0.00 C ATOM 1146 C THR A 98 6.666 -9.060 -8.729 1.00 0.00 C ATOM 1147 O THR A 98 7.348 -10.077 -8.586 1.00 0.00 O ATOM 1148 CB THR A 98 7.539 -7.186 -7.308 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.704 -5.761 -7.316 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.763 -7.831 -6.671 1.00 0.00 C ATOM 0 H THR A 98 6.143 -5.967 -8.911 1.00 0.00 H new ATOM 0 HA THR A 98 8.290 -7.764 -9.251 1.00 0.00 H new ATOM 0 HB THR A 98 6.664 -7.464 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.820 -5.440 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.883 -7.458 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.633 -8.913 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.650 -7.584 -7.255 1.00 0.00 H new ATOM 1158 N TYR A 99 5.343 -9.074 -8.893 1.00 0.00 N ATOM 1159 CA TYR A 99 4.579 -10.312 -9.081 1.00 0.00 C ATOM 1160 C TYR A 99 4.935 -11.358 -8.025 1.00 0.00 C ATOM 1161 O TYR A 99 5.336 -12.479 -8.352 1.00 0.00 O ATOM 1162 CB TYR A 99 4.838 -10.866 -10.485 1.00 0.00 C ATOM 1163 CG TYR A 99 3.586 -11.327 -11.210 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.799 -10.421 -11.913 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.197 -12.664 -11.201 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.662 -10.832 -12.584 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.061 -13.082 -11.876 1.00 0.00 C ATOM 1168 CZ TYR A 99 1.299 -12.161 -12.565 1.00 0.00 C ATOM 1169 OH TYR A 99 0.171 -12.571 -13.244 1.00 0.00 O ATOM 0 H TYR A 99 4.770 -8.230 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 99 3.520 -10.080 -8.969 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.329 -10.098 -11.082 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.531 -11.704 -10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.081 -9.379 -11.935 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.790 -13.386 -10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.060 -10.114 -13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.774 -14.123 -11.863 1.00 0.00 H new ATOM 0 HH TYR A 99 0.055 -13.538 -13.132 1.00 0.00 H new ATOM 1179 N THR A 100 4.800 -10.980 -6.763 1.00 0.00 N ATOM 1180 CA THR A 100 5.093 -11.873 -5.657 1.00 0.00 C ATOM 1181 C THR A 100 3.861 -12.074 -4.769 1.00 0.00 C ATOM 1182 O THR A 100 3.743 -11.466 -3.703 1.00 0.00 O ATOM 1183 CB THR A 100 6.260 -11.325 -4.816 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.130 -9.903 -4.668 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.601 -11.654 -5.458 1.00 0.00 C ATOM 0 H THR A 100 4.486 -10.052 -6.480 1.00 0.00 H new ATOM 0 HA THR A 100 5.378 -12.838 -6.075 1.00 0.00 H new ATOM 0 HB THR A 100 6.224 -11.799 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.875 -9.561 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.407 -11.255 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.709 -12.735 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.648 -11.208 -6.451 1.00 0.00 H new ATOM 1193 N PRO A 101 2.928 -12.948 -5.192 1.00 0.00 N ATOM 1194 CA PRO A 101 1.668 -13.194 -4.479 1.00 0.00 C ATOM 1195 C PRO A 101 1.850 -14.069 -3.238 1.00 0.00 C ATOM 1196 O PRO A 101 0.972 -14.855 -2.880 1.00 0.00 O ATOM 1197 CB PRO A 101 0.792 -13.917 -5.520 1.00 0.00 C ATOM 1198 CG PRO A 101 1.571 -13.898 -6.796 1.00 0.00 C ATOM 1199 CD PRO A 101 3.012 -13.766 -6.402 1.00 0.00 C ATOM 0 HA PRO A 101 1.234 -12.266 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.578 -14.939 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.167 -13.413 -5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.405 -14.811 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.262 -13.066 -7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.471 -14.735 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.604 -13.283 -7.179 1.00 0.00 H new ATOM 1207 N GLN A 102 2.989 -13.923 -2.587 1.00 0.00 N ATOM 1208 CA GLN A 102 3.283 -14.676 -1.378 1.00 0.00 C ATOM 1209 C GLN A 102 3.373 -13.739 -0.182 1.00 0.00 C ATOM 1210 O GLN A 102 2.765 -13.981 0.860 1.00 0.00 O ATOM 1211 CB GLN A 102 4.597 -15.451 -1.531 1.00 0.00 C ATOM 1212 CG GLN A 102 5.026 -16.192 -0.271 1.00 0.00 C ATOM 1213 CD GLN A 102 4.039 -17.264 0.154 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.147 -18.423 -0.250 1.00 0.00 O ATOM 1215 NE2 GLN A 102 3.068 -16.888 0.969 1.00 0.00 N ATOM 0 H GLN A 102 3.731 -13.286 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 102 2.474 -15.388 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.492 -16.169 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.386 -14.756 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.000 -16.650 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.147 -15.475 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.012 -15.919 1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.375 -17.567 1.285 1.00 0.00 H new ATOM 1224 N SER A 103 4.134 -12.669 -0.347 1.00 0.00 N ATOM 1225 CA SER A 103 4.363 -11.717 0.727 1.00 0.00 C ATOM 1226 C SER A 103 3.447 -10.506 0.577 1.00 0.00 C ATOM 1227 O SER A 103 3.499 -9.565 1.374 1.00 0.00 O ATOM 1228 CB SER A 103 5.827 -11.283 0.711 1.00 0.00 C ATOM 1229 OG SER A 103 6.685 -12.406 0.572 1.00 0.00 O ATOM 0 H SER A 103 4.606 -12.437 -1.221 1.00 0.00 H new ATOM 0 HA SER A 103 4.137 -12.193 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.996 -10.587 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.063 -10.751 1.633 1.00 0.00 H new ATOM 0 HG SER A 103 7.618 -12.106 0.562 1.00 0.00 H new ATOM 1235 N SER A 104 2.609 -10.538 -0.449 1.00 0.00 N ATOM 1236 CA SER A 104 1.690 -9.448 -0.713 1.00 0.00 C ATOM 1237 C SER A 104 0.299 -9.762 -0.159 1.00 0.00 C ATOM 1238 O SER A 104 -0.077 -10.930 -0.015 1.00 0.00 O ATOM 1239 CB SER A 104 1.625 -9.186 -2.218 1.00 0.00 C ATOM 1240 OG SER A 104 1.410 -10.392 -2.929 1.00 0.00 O ATOM 0 H SER A 104 2.549 -11.311 -1.112 1.00 0.00 H new ATOM 0 HA SER A 104 2.053 -8.551 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.821 -8.482 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.553 -8.722 -2.552 1.00 0.00 H new ATOM 0 HG SER A 104 2.265 -10.726 -3.272 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.448 -8.719 0.169 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.792 -8.867 0.697 1.00 0.00 C ATOM 1248 C ILE A 105 -2.794 -8.066 -0.130 1.00 0.00 C ATOM 1249 O ILE A 105 -2.458 -7.030 -0.706 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.884 -8.421 2.174 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.356 -6.990 2.329 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.125 -9.389 3.076 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.528 -6.409 3.713 1.00 0.00 C ATOM 0 H ILE A 105 -0.140 -7.751 0.077 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.035 -9.928 0.639 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.930 -8.433 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.297 -6.976 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.867 -6.347 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.202 -9.058 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.554 -10.387 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.076 -9.415 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.128 -5.395 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.587 -6.387 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.993 -7.025 4.435 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.016 -8.565 -0.192 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.099 -7.892 -0.888 1.00 0.00 C ATOM 1267 C ILE A 106 -6.266 -7.687 0.070 1.00 0.00 C ATOM 1268 O ILE A 106 -6.887 -8.652 0.521 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.579 -8.695 -2.118 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.480 -8.765 -3.175 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.829 -8.065 -2.707 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -4.808 -9.682 -4.337 1.00 0.00 C ATOM 0 H ILE A 106 -4.286 -9.449 0.239 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.724 -6.931 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.816 -9.708 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.292 -7.762 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.557 -9.105 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.154 -8.642 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.620 -8.058 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.611 -7.042 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.981 -9.680 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.967 -10.695 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -5.713 -9.331 -4.833 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.545 -6.440 0.398 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.593 -6.125 1.361 1.00 0.00 C ATOM 1286 C CYS A 107 -8.950 -5.989 0.678 1.00 0.00 C ATOM 1287 O CYS A 107 -9.164 -5.090 -0.134 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.244 -4.840 2.117 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.642 -4.912 2.983 1.00 0.00 S ATOM 0 H CYS A 107 -6.064 -5.627 0.015 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.659 -6.949 2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.230 -4.008 1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.030 -4.631 2.842 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.863 -6.894 1.008 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.219 -6.860 0.477 1.00 0.00 C ATOM 1296 C TYR A 108 -12.168 -6.292 1.528 1.00 0.00 C ATOM 1297 O TYR A 108 -12.695 -7.028 2.363 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.695 -8.261 0.080 1.00 0.00 C ATOM 1299 CG TYR A 108 -10.879 -8.925 -1.010 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.004 -8.526 -2.335 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.001 -9.963 -0.717 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.277 -9.139 -3.338 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.269 -10.580 -1.714 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.410 -10.167 -3.022 1.00 0.00 C ATOM 1305 OH TYR A 108 -8.677 -10.784 -4.016 1.00 0.00 O ATOM 0 H TYR A 108 -9.685 -7.668 1.648 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.217 -6.228 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.681 -8.898 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.732 -8.197 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.681 -7.723 -2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.889 -10.292 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.386 -8.816 -4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.589 -11.383 -1.469 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.116 -11.485 -3.622 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.377 -4.990 1.495 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.245 -4.360 2.468 1.00 0.00 C ATOM 1317 C GLY A 109 -13.389 -2.878 2.220 1.00 0.00 C ATOM 1318 O GLY A 109 -13.263 -2.427 1.080 1.00 0.00 O ATOM 0 H GLY A 109 -11.963 -4.355 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.228 -4.830 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.846 -4.523 3.469 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.649 -2.129 3.283 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.821 -0.686 3.189 1.00 0.00 C ATOM 1324 C GLN A 110 -12.529 -0.018 2.722 1.00 0.00 C ATOM 1325 O GLN A 110 -11.437 -0.384 3.162 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.236 -0.117 4.548 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.561 1.368 4.514 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.833 1.938 5.892 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -13.932 2.445 6.560 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.076 1.847 6.331 1.00 0.00 N ATOM 0 H GLN A 110 -13.746 -2.501 4.228 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.603 -0.481 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.107 -0.663 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.433 -0.288 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.730 1.907 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.432 1.531 3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.794 1.419 5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.318 2.204 7.255 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.667 0.954 1.826 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.527 1.684 1.287 1.00 0.00 C ATOM 1341 C LEU A 111 -10.780 2.387 2.417 1.00 0.00 C ATOM 1342 O LEU A 111 -11.270 3.364 2.987 1.00 0.00 O ATOM 1343 CB LEU A 111 -12.015 2.697 0.240 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.969 3.201 -0.768 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -11.655 3.943 -1.904 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.947 4.114 -0.105 1.00 0.00 C ATOM 0 H LEU A 111 -13.568 1.256 1.455 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.841 0.988 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.835 2.243 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.426 3.559 0.765 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.443 2.331 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.906 4.296 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.347 3.271 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.205 4.794 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.224 4.451 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.455 4.978 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.429 3.568 0.684 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.605 1.872 2.743 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.819 2.440 3.816 1.00 0.00 C ATOM 1360 C GLY A 112 -8.682 1.492 4.983 1.00 0.00 C ATOM 1361 O GLY A 112 -7.832 1.684 5.852 1.00 0.00 O ATOM 0 H GLY A 112 -9.181 1.068 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.829 2.699 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.284 3.366 4.154 1.00 0.00 H new ATOM 1365 N SER A 113 -9.519 0.463 5.002 1.00 0.00 N ATOM 1366 CA SER A 113 -9.496 -0.519 6.070 1.00 0.00 C ATOM 1367 C SER A 113 -8.622 -1.718 5.702 1.00 0.00 C ATOM 1368 O SER A 113 -8.763 -2.310 4.632 1.00 0.00 O ATOM 1369 CB SER A 113 -10.916 -0.976 6.388 1.00 0.00 C ATOM 1370 OG SER A 113 -11.742 0.135 6.693 1.00 0.00 O ATOM 0 H SER A 113 -10.224 0.289 4.285 1.00 0.00 H new ATOM 0 HA SER A 113 -9.064 -0.050 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.328 -1.519 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.901 -1.667 7.231 1.00 0.00 H new ATOM 0 HG SER A 113 -12.545 -0.174 7.162 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.723 -2.061 6.609 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.815 -3.185 6.440 1.00 0.00 C ATOM 1378 C PHE A 114 -7.247 -4.331 7.345 1.00 0.00 C ATOM 1379 O PHE A 114 -6.434 -4.950 8.028 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.379 -2.765 6.781 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.785 -1.778 5.813 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.096 -0.428 5.896 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.909 -2.199 4.823 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.547 0.480 5.014 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.357 -1.293 3.936 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.676 0.047 4.032 1.00 0.00 C ATOM 0 H PHE A 114 -7.601 -1.564 7.491 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.846 -3.512 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.366 -2.331 7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.749 -3.654 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.776 -0.084 6.661 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.655 -3.246 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.798 1.528 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.677 -1.633 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.245 0.756 3.340 1.00 0.00 H new ATOM 1396 N SER A 115 -8.542 -4.596 7.352 1.00 0.00 N ATOM 1397 CA SER A 115 -9.107 -5.609 8.230 1.00 0.00 C ATOM 1398 C SER A 115 -9.161 -6.970 7.531 1.00 0.00 C ATOM 1399 O SER A 115 -8.603 -7.955 8.016 1.00 0.00 O ATOM 1400 CB SER A 115 -10.507 -5.173 8.681 1.00 0.00 C ATOM 1401 OG SER A 115 -10.996 -5.985 9.733 1.00 0.00 O ATOM 0 H SER A 115 -9.224 -4.123 6.759 1.00 0.00 H new ATOM 0 HA SER A 115 -8.467 -5.714 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.477 -4.134 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.193 -5.221 7.835 1.00 0.00 H new ATOM 0 HG SER A 115 -11.889 -5.677 9.996 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.824 -7.024 6.383 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.962 -8.270 5.637 1.00 0.00 C ATOM 1409 C ASN A 116 -8.941 -8.318 4.506 1.00 0.00 C ATOM 1410 O ASN A 116 -9.269 -8.092 3.344 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.381 -8.404 5.070 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.591 -9.705 4.316 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.025 -10.742 4.664 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.394 -9.651 3.266 1.00 0.00 N ATOM 0 H ASN A 116 -10.275 -6.220 5.947 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.780 -9.103 6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.101 -8.342 5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.582 -7.566 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.564 -10.489 2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.843 -8.771 3.012 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.696 -8.583 4.850 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.641 -8.626 3.853 1.00 0.00 C ATOM 1423 C CYS A 117 -6.129 -10.046 3.672 1.00 0.00 C ATOM 1424 O CYS A 117 -5.448 -10.593 4.537 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.498 -7.687 4.237 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.039 -5.995 4.654 1.00 0.00 S ATOM 0 H CYS A 117 -7.390 -8.771 5.805 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.057 -8.290 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.966 -8.108 5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.788 -7.638 3.411 1.00 0.00 H new ATOM 1431 N SER A 118 -6.475 -10.639 2.542 1.00 0.00 N ATOM 1432 CA SER A 118 -6.069 -11.996 2.225 1.00 0.00 C ATOM 1433 C SER A 118 -4.717 -11.972 1.518 1.00 0.00 C ATOM 1434 O SER A 118 -4.385 -10.995 0.848 1.00 0.00 O ATOM 1435 CB SER A 118 -7.126 -12.645 1.331 1.00 0.00 C ATOM 1436 OG SER A 118 -8.428 -12.426 1.849 1.00 0.00 O ATOM 0 H SER A 118 -7.043 -10.194 1.821 1.00 0.00 H new ATOM 0 HA SER A 118 -5.975 -12.578 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.057 -12.236 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.936 -13.716 1.254 1.00 0.00 H new ATOM 0 HG SER A 118 -9.089 -12.848 1.261 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.935 -13.032 1.673 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.610 -13.109 1.058 1.00 0.00 C ATOM 1444 C HIS A 119 -2.689 -13.349 -0.447 1.00 0.00 C ATOM 1445 O HIS A 119 -2.333 -14.420 -0.932 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.763 -14.195 1.725 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.099 -13.735 2.986 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.608 -13.975 4.244 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.044 -13.034 3.172 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.808 -13.442 5.150 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.201 -12.864 4.526 1.00 0.00 N ATOM 0 H HIS A 119 -4.193 -13.854 2.220 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.130 -12.142 1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.396 -15.054 1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.001 -14.534 1.024 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.468 -14.485 4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.709 -12.675 2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.955 -13.474 6.220 1.00 0.00 H new ATOM 1459 N SER A 120 -3.175 -12.335 -1.163 1.00 0.00 N ATOM 1460 CA SER A 120 -3.198 -12.322 -2.624 1.00 0.00 C ATOM 1461 C SER A 120 -3.953 -13.527 -3.190 1.00 0.00 C ATOM 1462 O SER A 120 -3.358 -14.536 -3.573 1.00 0.00 O ATOM 1463 CB SER A 120 -1.767 -12.265 -3.168 1.00 0.00 C ATOM 1464 OG SER A 120 -1.750 -11.939 -4.545 1.00 0.00 O ATOM 0 H SER A 120 -3.567 -11.493 -0.741 1.00 0.00 H new ATOM 0 HA SER A 120 -3.735 -11.430 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.194 -11.525 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.279 -13.228 -3.015 1.00 0.00 H new ATOM 0 HG SER A 120 -1.263 -11.099 -4.676 1.00 0.00 H new ATOM 1470 N ARG A 121 -5.273 -13.416 -3.240 1.00 0.00 N ATOM 1471 CA ARG A 121 -6.109 -14.480 -3.780 1.00 0.00 C ATOM 1472 C ARG A 121 -6.802 -14.022 -5.059 1.00 0.00 C ATOM 1473 O ARG A 121 -8.031 -13.992 -5.149 1.00 0.00 O ATOM 1474 CB ARG A 121 -7.128 -14.941 -2.735 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.500 -15.749 -1.612 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.953 -17.071 -2.129 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.113 -17.753 -1.145 1.00 0.00 N ATOM 1478 CZ ARG A 121 -5.491 -18.827 -0.460 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -6.726 -19.291 -0.579 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -4.644 -19.422 0.360 1.00 0.00 N ATOM 0 H ARG A 121 -5.789 -12.599 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.473 -15.329 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -7.628 -14.069 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -7.895 -15.542 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.696 -15.174 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -7.242 -15.937 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.783 -17.721 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.373 -16.891 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.179 -17.381 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.389 -18.824 -1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.014 -20.116 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.698 -19.057 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.936 -20.246 0.885 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.991 -13.655 -6.038 1.00 0.00 N ATOM 1494 CA ASN A 122 -6.476 -13.217 -7.341 1.00 0.00 C ATOM 1495 C ASN A 122 -5.499 -13.699 -8.408 1.00 0.00 C ATOM 1496 O ASN A 122 -4.438 -14.220 -8.065 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.618 -11.684 -7.373 1.00 0.00 C ATOM 1498 CG ASN A 122 -7.231 -11.154 -8.661 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -6.524 -10.811 -9.609 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -8.551 -11.080 -8.703 1.00 0.00 N ATOM 0 H ASN A 122 -4.975 -13.652 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.461 -13.641 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -7.233 -11.367 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.635 -11.234 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.016 -10.730 -9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.104 -11.373 -7.898 1.00 0.00 H new ATOM 1507 N ASP A 123 -5.851 -13.561 -9.680 1.00 0.00 N ATOM 1508 CA ASP A 123 -4.960 -13.978 -10.760 1.00 0.00 C ATOM 1509 C ASP A 123 -3.681 -13.152 -10.734 1.00 0.00 C ATOM 1510 O ASP A 123 -2.580 -13.685 -10.591 1.00 0.00 O ATOM 1511 CB ASP A 123 -5.639 -13.823 -12.127 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.784 -14.352 -13.266 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -3.840 -13.654 -13.693 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -5.060 -15.473 -13.744 1.00 0.00 O ATOM 0 H ASP A 123 -6.739 -13.167 -9.990 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.719 -15.030 -10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.592 -14.351 -12.117 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.860 -12.770 -12.302 1.00 0.00 H new ATOM 1519 N MET A 124 -3.843 -11.846 -10.847 1.00 0.00 N ATOM 1520 CA MET A 124 -2.712 -10.940 -10.924 1.00 0.00 C ATOM 1521 C MET A 124 -2.437 -10.305 -9.569 1.00 0.00 C ATOM 1522 O MET A 124 -3.281 -10.330 -8.673 1.00 0.00 O ATOM 1523 CB MET A 124 -2.970 -9.838 -11.954 1.00 0.00 C ATOM 1524 CG MET A 124 -4.070 -8.868 -11.545 1.00 0.00 C ATOM 1525 SD MET A 124 -4.233 -7.480 -12.679 1.00 0.00 S ATOM 1526 CE MET A 124 -4.623 -8.344 -14.196 1.00 0.00 C ATOM 0 H MET A 124 -4.753 -11.387 -10.888 1.00 0.00 H new ATOM 0 HA MET A 124 -1.843 -11.522 -11.231 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.047 -9.281 -12.117 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.237 -10.297 -12.906 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.019 -9.402 -11.493 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.862 -8.491 -10.544 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.046 -7.643 -14.916 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.715 -8.783 -14.608 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.346 -9.133 -13.990 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.254 -9.733 -9.432 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.894 -9.006 -8.233 1.00 0.00 C ATOM 1538 C CYS A 125 0.226 -8.028 -8.549 1.00 0.00 C ATOM 1539 O CYS A 125 1.355 -8.427 -8.842 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.464 -9.966 -7.122 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.201 -9.161 -5.510 1.00 0.00 S ATOM 0 H CYS A 125 -0.523 -9.760 -10.143 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.766 -8.455 -7.882 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.223 -10.740 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.458 -10.464 -7.423 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.103 -6.748 -8.528 1.00 0.00 N ATOM 1547 CA HIS A 126 0.869 -5.707 -8.813 1.00 0.00 C ATOM 1548 C HIS A 126 1.251 -5.000 -7.524 1.00 0.00 C ATOM 1549 O HIS A 126 0.399 -4.754 -6.670 1.00 0.00 O ATOM 1550 CB HIS A 126 0.308 -4.701 -9.825 1.00 0.00 C ATOM 1551 CG HIS A 126 0.018 -5.298 -11.166 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.257 -5.439 -11.677 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.854 -5.789 -12.108 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.189 -5.991 -12.874 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.082 -6.214 -13.158 1.00 0.00 N ATOM 0 H HIS A 126 -1.039 -6.404 -8.316 1.00 0.00 H new ATOM 0 HA HIS A 126 1.757 -6.166 -9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.608 -4.267 -9.424 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.020 -3.885 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.931 -5.837 -12.045 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.029 -6.221 -13.512 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.432 -6.634 -14.019 1.00 0.00 H new ATOM 1563 N SER A 127 2.531 -4.698 -7.379 1.00 0.00 N ATOM 1564 CA SER A 127 3.026 -4.041 -6.185 1.00 0.00 C ATOM 1565 C SER A 127 2.477 -2.621 -6.100 1.00 0.00 C ATOM 1566 O SER A 127 2.742 -1.789 -6.976 1.00 0.00 O ATOM 1567 CB SER A 127 4.554 -4.022 -6.202 1.00 0.00 C ATOM 1568 OG SER A 127 5.069 -5.294 -6.565 1.00 0.00 O ATOM 0 H SER A 127 3.247 -4.899 -8.077 1.00 0.00 H new ATOM 0 HA SER A 127 2.690 -4.594 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.905 -3.268 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.930 -3.739 -5.219 1.00 0.00 H new ATOM 0 HG SER A 127 6.006 -5.202 -6.837 1.00 0.00 H new ATOM 1574 N LEU A 128 1.698 -2.355 -5.057 1.00 0.00 N ATOM 1575 CA LEU A 128 1.103 -1.043 -4.876 1.00 0.00 C ATOM 1576 C LEU A 128 2.176 -0.040 -4.477 1.00 0.00 C ATOM 1577 O LEU A 128 2.714 -0.091 -3.369 1.00 0.00 O ATOM 1578 CB LEU A 128 0.000 -1.084 -3.817 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.884 0.164 -3.740 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.748 0.288 -4.986 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.749 0.125 -2.494 1.00 0.00 C ATOM 0 H LEU A 128 1.467 -3.030 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 128 0.655 -0.734 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.636 -1.947 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.461 -1.242 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.237 1.040 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.368 1.181 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.109 0.363 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.387 -0.591 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.371 1.019 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.386 -0.759 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.112 0.087 -1.610 1.00 0.00 H new ATOM 1593 N GLY A 129 2.492 0.855 -5.393 1.00 0.00 N ATOM 1594 CA GLY A 129 3.510 1.843 -5.146 1.00 0.00 C ATOM 1595 C GLY A 129 2.923 3.163 -4.715 1.00 0.00 C ATOM 1596 O GLY A 129 2.043 3.710 -5.386 1.00 0.00 O ATOM 0 H GLY A 129 2.055 0.914 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.189 1.479 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.102 1.987 -6.050 1.00 0.00 H new ATOM 1600 N LEU A 130 3.398 3.668 -3.593 1.00 0.00 N ATOM 1601 CA LEU A 130 2.977 4.962 -3.104 1.00 0.00 C ATOM 1602 C LEU A 130 4.038 5.993 -3.455 1.00 0.00 C ATOM 1603 O LEU A 130 5.175 5.916 -2.988 1.00 0.00 O ATOM 1604 CB LEU A 130 2.749 4.916 -1.591 1.00 0.00 C ATOM 1605 CG LEU A 130 2.272 6.227 -0.956 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.965 6.688 -1.583 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.113 6.056 0.548 1.00 0.00 C ATOM 0 H LEU A 130 4.081 3.196 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 130 2.034 5.239 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.015 4.140 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.680 4.617 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 130 3.024 6.993 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.646 7.620 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.111 6.848 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.200 5.926 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.774 6.994 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.380 5.275 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.071 5.776 0.986 1.00 0.00 H new ATOM 1619 N THR A 131 3.674 6.925 -4.314 1.00 0.00 N ATOM 1620 CA THR A 131 4.594 7.950 -4.757 1.00 0.00 C ATOM 1621 C THR A 131 4.350 9.249 -3.996 1.00 0.00 C ATOM 1622 O THR A 131 3.531 10.069 -4.407 1.00 0.00 O ATOM 1623 CB THR A 131 4.439 8.204 -6.270 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.493 6.959 -6.976 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.526 9.133 -6.792 1.00 0.00 C ATOM 0 H THR A 131 2.741 6.992 -4.720 1.00 0.00 H new ATOM 0 HA THR A 131 5.608 7.602 -4.558 1.00 0.00 H new ATOM 0 HB THR A 131 3.474 8.684 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.393 7.123 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.387 9.291 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.467 10.090 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.504 8.684 -6.615 1.00 0.00 H new ATOM 1633 N CYS A 132 5.037 9.417 -2.877 1.00 0.00 N ATOM 1634 CA CYS A 132 4.938 10.648 -2.108 1.00 0.00 C ATOM 1635 C CYS A 132 5.834 11.708 -2.741 1.00 0.00 C ATOM 1636 O CYS A 132 6.954 11.408 -3.156 1.00 0.00 O ATOM 1637 CB CYS A 132 5.346 10.410 -0.648 1.00 0.00 C ATOM 1638 SG CYS A 132 4.542 8.969 0.135 1.00 0.00 S ATOM 0 H CYS A 132 5.667 8.719 -2.482 1.00 0.00 H new ATOM 0 HA CYS A 132 3.904 10.992 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.427 10.277 -0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.110 11.302 -0.068 1.00 0.00 H new ATOM 1643 N LEU A 133 5.329 12.934 -2.835 1.00 0.00 N ATOM 1644 CA LEU A 133 6.045 14.021 -3.495 1.00 0.00 C ATOM 1645 C LEU A 133 7.407 14.284 -2.866 1.00 0.00 C ATOM 1646 O LEU A 133 7.499 14.877 -1.791 1.00 0.00 O ATOM 1647 CB LEU A 133 5.222 15.312 -3.449 1.00 0.00 C ATOM 1648 CG LEU A 133 4.008 15.358 -4.378 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.169 16.596 -4.101 1.00 0.00 C ATOM 1650 CD2 LEU A 133 4.454 15.351 -5.831 1.00 0.00 C ATOM 0 H LEU A 133 4.419 13.201 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 133 6.199 13.709 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.879 15.467 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.877 16.148 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 133 3.400 14.473 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.310 16.611 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.822 16.577 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.773 17.489 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.579 15.384 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.082 16.221 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.022 14.443 -6.033 1.00 0.00 H new ATOM 1662 N GLU A 134 8.458 13.823 -3.525 1.00 0.00 N ATOM 1663 CA GLU A 134 9.808 14.222 -3.165 1.00 0.00 C ATOM 1664 C GLU A 134 10.236 15.379 -4.052 1.00 0.00 C ATOM 1665 O GLU A 134 10.675 15.125 -5.191 1.00 0.00 O ATOM 1666 CB GLU A 134 10.811 13.065 -3.294 1.00 0.00 C ATOM 1667 CG GLU A 134 10.651 11.983 -2.236 1.00 0.00 C ATOM 1668 CD GLU A 134 11.829 11.028 -2.189 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.923 11.452 -1.759 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.672 9.852 -2.575 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.101 16.541 -3.619 1.00 0.00 O ATOM 0 H GLU A 134 8.402 13.174 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 134 9.802 14.526 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.703 12.613 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.822 13.467 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.530 12.451 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.740 11.419 -2.434 1.00 0.00 H new TER 1678 GLU A 134