USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.0159 USER MOD Set 2.2: A 131 THR OG1 : rot 126:sc= 0.163 USER MOD Set 3.1: A 62 GLN : amide:sc= 0.64 K(o=-0.32,f=-2.3) USER MOD Set 3.2: A 126 HIS : no HE2:sc= -0.964! C(o=-0.32!,f=-5!) USER MOD Set 4.1: A 58 MET CE :methyl 164:sc= -0.23 (180deg=-0.851) USER MOD Set 4.2: A 98 THR OG1 : rot 180:sc= 0.00512 USER MOD Set 4.3: A 127 SER OG : rot 180:sc= -0.243 USER MOD Set 5.1: A 38 THR OG1 : rot -156:sc= 1.29 USER MOD Set 5.2: A 40 SER OG : rot -93:sc= -1.29 USER MOD Set 5.3: A 47 GLN : amide:sc= 0.518 K(o=0.52,f=-5.4!) USER MOD Single : A 27 SER OG : rot -112:sc= 0.0469 USER MOD Single : A 29 TYR OH : rot 62:sc= 0.3 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.13! C(o=-1.1!,f=-1.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.55! C(o=-2.5!,f=-7.2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0215 (180deg=-0.232) USER MOD Single : A 57 HIS : no HE2:sc= -1.35! C(o=-1.3!,f=-5.7!) USER MOD Single : A 61 SER OG : rot -122:sc= -0.994 USER MOD Single : A 63 SER OG : rot -94:sc= 0.361 USER MOD Single : A 67 SER OG : rot -92:sc= 0.589 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0407 (180deg=-0.248) USER MOD Single : A 70 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0774 USER MOD Single : A 76 GLN : amide:sc= -0.816 K(o=-0.82,f=-5.4!) USER MOD Single : A 78 SER OG : rot 79:sc= 0.869 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0563 (180deg=-0.343) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 85 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.53) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 80:sc= 1.23 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 103 SER OG : rot 160:sc= -1.8! USER MOD Single : A 104 SER OG : rot 139:sc= 0.517 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.7) USER MOD Single : A 115 SER OG : rot 114:sc= 0.153 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.0495 X(o=-0.049,f=0) USER MOD Single : A 120 SER OG : rot 96:sc= 0.455 USER MOD Single : A 122 ASN : amide:sc= 0.119 X(o=0.12,f=-0.2) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.018 -1.531 11.089 1.00 0.00 N ATOM 24 CA LEU A 26 -6.830 -0.694 11.049 1.00 0.00 C ATOM 25 C LEU A 26 -6.903 0.200 9.826 1.00 0.00 C ATOM 26 O LEU A 26 -7.153 -0.282 8.727 1.00 0.00 O ATOM 27 CB LEU A 26 -5.546 -1.531 10.990 1.00 0.00 C ATOM 28 CG LEU A 26 -5.112 -2.190 12.302 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.060 -3.311 12.692 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.692 -2.715 12.177 1.00 0.00 C ATOM 0 HA LEU A 26 -6.798 -0.100 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.679 -2.312 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.735 -0.891 10.642 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.143 -1.437 13.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.727 -3.760 13.627 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.065 -2.909 12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.069 -4.069 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.393 -3.182 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.646 -3.451 11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.017 -1.889 11.951 1.00 0.00 H new ATOM 42 N SER A 27 -6.718 1.487 10.012 1.00 0.00 N ATOM 43 CA SER A 27 -6.750 2.421 8.900 1.00 0.00 C ATOM 44 C SER A 27 -5.488 3.270 8.906 1.00 0.00 C ATOM 45 O SER A 27 -4.820 3.402 9.931 1.00 0.00 O ATOM 46 CB SER A 27 -7.995 3.313 8.990 1.00 0.00 C ATOM 47 OG SER A 27 -8.102 4.166 7.860 1.00 0.00 O ATOM 0 H SER A 27 -6.543 1.915 10.921 1.00 0.00 H new ATOM 0 HA SER A 27 -6.795 1.861 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.886 2.690 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.950 3.914 9.899 1.00 0.00 H new ATOM 0 HG SER A 27 -7.960 5.095 8.137 1.00 0.00 H new ATOM 53 N TRP A 28 -5.166 3.855 7.759 1.00 0.00 N ATOM 54 CA TRP A 28 -3.974 4.687 7.632 1.00 0.00 C ATOM 55 C TRP A 28 -4.174 6.055 8.280 1.00 0.00 C ATOM 56 O TRP A 28 -3.405 6.982 8.045 1.00 0.00 O ATOM 57 CB TRP A 28 -3.558 4.833 6.159 1.00 0.00 C ATOM 58 CG TRP A 28 -4.689 5.109 5.205 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.791 5.883 5.427 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.807 4.624 3.860 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.598 5.886 4.317 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.015 5.126 3.340 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.014 3.810 3.045 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.446 4.841 2.046 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.443 3.528 1.761 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.651 4.043 1.273 1.00 0.00 C ATOM 0 H TRP A 28 -5.713 3.769 6.903 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.166 4.185 8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.831 5.641 6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.054 3.919 5.847 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.998 6.416 6.343 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.489 6.376 4.234 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.081 3.408 3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.376 5.237 1.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.837 2.901 1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.960 3.804 0.266 1.00 0.00 H new ATOM 77 N TYR A 29 -5.219 6.171 9.089 1.00 0.00 N ATOM 78 CA TYR A 29 -5.456 7.378 9.861 1.00 0.00 C ATOM 79 C TYR A 29 -5.235 7.112 11.347 1.00 0.00 C ATOM 80 O TYR A 29 -5.267 8.035 12.164 1.00 0.00 O ATOM 81 CB TYR A 29 -6.873 7.906 9.625 1.00 0.00 C ATOM 82 CG TYR A 29 -7.152 8.266 8.183 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.395 9.229 7.532 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.171 7.641 7.472 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.638 9.557 6.213 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.421 7.966 6.154 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.652 8.923 5.529 1.00 0.00 C ATOM 88 OH TYR A 29 -7.889 9.244 4.212 1.00 0.00 O ATOM 0 H TYR A 29 -5.917 5.440 9.226 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.747 8.136 9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.591 7.152 9.948 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.032 8.786 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.602 9.731 8.066 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.776 6.890 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.036 10.306 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.216 7.472 5.615 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.101 9.021 3.674 1.00 0.00 H new ATOM 98 N ASP A 30 -5.005 5.844 11.692 1.00 0.00 N ATOM 99 CA ASP A 30 -4.760 5.455 13.079 1.00 0.00 C ATOM 100 C ASP A 30 -3.416 5.988 13.551 1.00 0.00 C ATOM 101 O ASP A 30 -2.417 5.927 12.829 1.00 0.00 O ATOM 102 CB ASP A 30 -4.807 3.932 13.249 1.00 0.00 C ATOM 103 CG ASP A 30 -6.220 3.385 13.300 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.776 3.051 12.236 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.784 3.282 14.413 1.00 0.00 O ATOM 0 H ASP A 30 -4.984 5.070 11.028 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.552 5.890 13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.271 3.463 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.284 3.658 14.165 1.00 0.00 H new ATOM 110 N PRO A 31 -3.392 6.529 14.779 1.00 0.00 N ATOM 111 CA PRO A 31 -2.216 7.198 15.352 1.00 0.00 C ATOM 112 C PRO A 31 -0.976 6.312 15.422 1.00 0.00 C ATOM 113 O PRO A 31 0.149 6.813 15.397 1.00 0.00 O ATOM 114 CB PRO A 31 -2.670 7.570 16.767 1.00 0.00 C ATOM 115 CG PRO A 31 -4.154 7.605 16.696 1.00 0.00 C ATOM 116 CD PRO A 31 -4.534 6.544 15.708 1.00 0.00 C ATOM 0 HA PRO A 31 -1.913 8.043 14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.327 6.837 17.497 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.266 8.536 17.070 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.598 7.409 17.672 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.508 8.585 16.375 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.675 5.576 16.190 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.466 6.784 15.197 1.00 0.00 H new ATOM 124 N ASP A 32 -1.176 5.005 15.522 1.00 0.00 N ATOM 125 CA ASP A 32 -0.056 4.076 15.643 1.00 0.00 C ATOM 126 C ASP A 32 0.028 3.151 14.432 1.00 0.00 C ATOM 127 O ASP A 32 0.672 2.102 14.490 1.00 0.00 O ATOM 128 CB ASP A 32 -0.183 3.241 16.921 1.00 0.00 C ATOM 129 CG ASP A 32 -1.217 2.137 16.804 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.413 2.451 16.660 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.834 0.946 16.871 1.00 0.00 O ATOM 0 H ASP A 32 -2.096 4.564 15.522 1.00 0.00 H new ATOM 0 HA ASP A 32 0.858 4.668 15.691 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.785 2.801 17.159 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.449 3.895 17.751 1.00 0.00 H new ATOM 136 N PHE A 33 -0.613 3.547 13.335 1.00 0.00 N ATOM 137 CA PHE A 33 -0.616 2.738 12.123 1.00 0.00 C ATOM 138 C PHE A 33 0.808 2.536 11.616 1.00 0.00 C ATOM 139 O PHE A 33 1.564 3.493 11.449 1.00 0.00 O ATOM 140 CB PHE A 33 -1.484 3.387 11.041 1.00 0.00 C ATOM 141 CG PHE A 33 -1.587 2.573 9.782 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.215 1.336 9.791 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.053 3.041 8.591 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.305 0.583 8.636 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.142 2.291 7.435 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.768 1.062 7.457 1.00 0.00 C ATOM 0 H PHE A 33 -1.135 4.420 13.262 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.041 1.763 12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.485 3.551 11.440 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.073 4.367 10.797 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.638 0.958 10.710 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.562 4.003 8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.795 -0.379 8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.722 2.667 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.838 0.475 6.553 1.00 0.00 H new ATOM 156 N GLN A 34 1.165 1.282 11.383 1.00 0.00 N ATOM 157 CA GLN A 34 2.522 0.929 11.001 1.00 0.00 C ATOM 158 C GLN A 34 2.604 0.634 9.509 1.00 0.00 C ATOM 159 O GLN A 34 2.085 -0.381 9.037 1.00 0.00 O ATOM 160 CB GLN A 34 2.987 -0.290 11.798 1.00 0.00 C ATOM 161 CG GLN A 34 2.963 -0.087 13.303 1.00 0.00 C ATOM 162 CD GLN A 34 3.355 -1.333 14.071 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.527 -1.551 14.369 1.00 0.00 O ATOM 164 NE2 GLN A 34 2.374 -2.164 14.389 1.00 0.00 N ATOM 0 H GLN A 34 0.528 0.488 11.453 1.00 0.00 H new ATOM 0 HA GLN A 34 3.173 1.775 11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.353 -1.140 11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.001 -0.547 11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.641 0.725 13.566 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.963 0.222 13.607 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.414 -1.945 14.123 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.579 -3.023 14.900 1.00 0.00 H new ATOM 173 N ALA A 35 3.256 1.526 8.778 1.00 0.00 N ATOM 174 CA ALA A 35 3.431 1.367 7.340 1.00 0.00 C ATOM 175 C ALA A 35 4.746 1.983 6.891 1.00 0.00 C ATOM 176 O ALA A 35 5.251 2.919 7.519 1.00 0.00 O ATOM 177 CB ALA A 35 2.271 1.996 6.587 1.00 0.00 C ATOM 0 H ALA A 35 3.676 2.374 9.160 1.00 0.00 H new ATOM 0 HA ALA A 35 3.452 0.301 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.420 1.867 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.340 1.514 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.219 3.059 6.821 1.00 0.00 H new ATOM 183 N ARG A 36 5.307 1.451 5.814 1.00 0.00 N ATOM 184 CA ARG A 36 6.565 1.947 5.290 1.00 0.00 C ATOM 185 C ARG A 36 6.642 1.748 3.782 1.00 0.00 C ATOM 186 O ARG A 36 6.072 0.801 3.237 1.00 0.00 O ATOM 187 CB ARG A 36 7.745 1.228 5.955 1.00 0.00 C ATOM 188 CG ARG A 36 7.780 -0.271 5.677 1.00 0.00 C ATOM 189 CD ARG A 36 9.110 -0.891 6.081 1.00 0.00 C ATOM 190 NE ARG A 36 9.384 -0.749 7.508 1.00 0.00 N ATOM 191 CZ ARG A 36 10.165 -1.576 8.195 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.711 -2.629 7.601 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.407 -1.351 9.476 1.00 0.00 N ATOM 0 H ARG A 36 4.907 0.674 5.287 1.00 0.00 H new ATOM 0 HA ARG A 36 6.619 3.013 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.676 1.676 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.698 1.389 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.971 -0.760 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.604 -0.448 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.108 -1.949 5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.913 -0.423 5.512 1.00 0.00 H new ATOM 0 HE ARG A 36 8.951 0.029 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.532 -2.807 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.310 -3.261 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.994 -0.541 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.007 -1.987 10.001 1.00 0.00 H new ATOM 206 N LEU A 37 7.325 2.663 3.120 1.00 0.00 N ATOM 207 CA LEU A 37 7.721 2.479 1.737 1.00 0.00 C ATOM 208 C LEU A 37 9.191 2.092 1.744 1.00 0.00 C ATOM 209 O LEU A 37 10.036 2.850 2.225 1.00 0.00 O ATOM 210 CB LEU A 37 7.506 3.768 0.942 1.00 0.00 C ATOM 211 CG LEU A 37 6.080 4.318 0.966 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.011 5.664 0.266 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.123 3.342 0.310 1.00 0.00 C ATOM 0 H LEU A 37 7.620 3.552 3.524 1.00 0.00 H new ATOM 0 HA LEU A 37 7.121 1.703 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.179 4.532 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.792 3.588 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 37 5.787 4.452 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.987 6.037 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.669 6.371 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.327 5.551 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.113 3.750 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.422 3.180 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.145 2.394 0.847 1.00 0.00 H new ATOM 225 N THR A 38 9.485 0.899 1.259 1.00 0.00 N ATOM 226 CA THR A 38 10.808 0.323 1.429 1.00 0.00 C ATOM 227 C THR A 38 11.823 0.830 0.411 1.00 0.00 C ATOM 228 O THR A 38 12.415 1.893 0.591 1.00 0.00 O ATOM 229 CB THR A 38 10.749 -1.213 1.403 1.00 0.00 C ATOM 230 OG1 THR A 38 9.849 -1.652 0.376 1.00 0.00 O ATOM 231 CG2 THR A 38 10.298 -1.750 2.751 1.00 0.00 C ATOM 0 H THR A 38 8.828 0.311 0.746 1.00 0.00 H new ATOM 0 HA THR A 38 11.154 0.653 2.409 1.00 0.00 H new ATOM 0 HB THR A 38 11.747 -1.596 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.524 -2.552 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.262 -2.839 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.002 -1.436 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.307 -1.361 2.984 1.00 0.00 H new ATOM 239 N ARG A 39 12.026 0.083 -0.660 1.00 0.00 N ATOM 240 CA ARG A 39 13.128 0.378 -1.560 1.00 0.00 C ATOM 241 C ARG A 39 12.620 0.793 -2.933 1.00 0.00 C ATOM 242 O ARG A 39 12.229 1.942 -3.121 1.00 0.00 O ATOM 243 CB ARG A 39 14.072 -0.827 -1.673 1.00 0.00 C ATOM 244 CG ARG A 39 14.513 -1.397 -0.329 1.00 0.00 C ATOM 245 CD ARG A 39 15.110 -0.329 0.575 1.00 0.00 C ATOM 246 NE ARG A 39 15.528 -0.874 1.868 1.00 0.00 N ATOM 247 CZ ARG A 39 14.832 -0.740 2.997 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.632 -0.178 2.979 1.00 0.00 N ATOM 249 NH2 ARG A 39 15.319 -1.197 4.139 1.00 0.00 N ATOM 0 H ARG A 39 11.454 -0.719 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 39 13.687 1.216 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.576 -1.612 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.956 -0.532 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.658 -1.856 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.248 -2.185 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.967 0.127 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.377 0.461 0.735 1.00 0.00 H new ATOM 0 HE ARG A 39 16.408 -1.389 1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.237 0.154 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.103 -0.077 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.231 -1.654 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.783 -1.092 5.000 1.00 0.00 H new ATOM 262 N SER A 40 12.595 -0.161 -3.867 1.00 0.00 N ATOM 263 CA SER A 40 12.207 0.084 -5.264 1.00 0.00 C ATOM 264 C SER A 40 12.895 1.328 -5.845 1.00 0.00 C ATOM 265 O SER A 40 14.051 1.263 -6.270 1.00 0.00 O ATOM 266 CB SER A 40 10.681 0.183 -5.405 1.00 0.00 C ATOM 267 OG SER A 40 10.152 1.212 -4.595 1.00 0.00 O ATOM 0 H SER A 40 12.844 -1.132 -3.677 1.00 0.00 H new ATOM 0 HA SER A 40 12.548 -0.773 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.422 0.370 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.227 -0.769 -5.129 1.00 0.00 H new ATOM 0 HG SER A 40 9.885 0.841 -3.728 1.00 0.00 H new ATOM 273 N ASN A 41 12.197 2.457 -5.842 1.00 0.00 N ATOM 274 CA ASN A 41 12.726 3.685 -6.413 1.00 0.00 C ATOM 275 C ASN A 41 13.373 4.538 -5.327 1.00 0.00 C ATOM 276 O ASN A 41 14.522 4.959 -5.463 1.00 0.00 O ATOM 277 CB ASN A 41 11.610 4.464 -7.111 1.00 0.00 C ATOM 278 CG ASN A 41 12.132 5.539 -8.044 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.538 6.608 -8.165 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.221 5.253 -8.739 1.00 0.00 N ATOM 0 H ASN A 41 11.260 2.545 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 41 13.487 3.430 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.989 3.770 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.970 4.924 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.595 5.931 -9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.686 4.354 -8.611 1.00 0.00 H new ATOM 287 N SER A 42 12.630 4.781 -4.252 1.00 0.00 N ATOM 288 CA SER A 42 13.143 5.513 -3.101 1.00 0.00 C ATOM 289 C SER A 42 12.142 5.409 -1.948 1.00 0.00 C ATOM 290 O SER A 42 11.031 4.910 -2.129 1.00 0.00 O ATOM 291 CB SER A 42 13.406 6.978 -3.464 1.00 0.00 C ATOM 292 OG SER A 42 14.186 7.615 -2.468 1.00 0.00 O ATOM 0 H SER A 42 11.661 4.478 -4.155 1.00 0.00 H new ATOM 0 HA SER A 42 14.091 5.074 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.920 7.032 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.458 7.504 -3.580 1.00 0.00 H new ATOM 0 HG SER A 42 14.342 8.548 -2.722 1.00 0.00 H new ATOM 298 N LYS A 43 12.538 5.897 -0.772 1.00 0.00 N ATOM 299 CA LYS A 43 11.833 5.589 0.478 1.00 0.00 C ATOM 300 C LYS A 43 10.457 6.252 0.573 1.00 0.00 C ATOM 301 O LYS A 43 9.659 5.886 1.429 1.00 0.00 O ATOM 302 CB LYS A 43 12.693 5.970 1.698 1.00 0.00 C ATOM 303 CG LYS A 43 12.560 7.418 2.161 1.00 0.00 C ATOM 304 CD LYS A 43 13.054 8.407 1.118 1.00 0.00 C ATOM 305 CE LYS A 43 12.902 9.841 1.598 1.00 0.00 C ATOM 306 NZ LYS A 43 13.287 10.813 0.545 1.00 0.00 N ATOM 0 H LYS A 43 13.346 6.509 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 43 11.664 4.512 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.428 5.314 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.739 5.776 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.516 7.628 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.124 7.555 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.101 8.207 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.496 8.271 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.869 10.018 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.521 9.997 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.171 11.781 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.280 10.660 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.680 10.680 -0.289 1.00 0.00 H new ATOM 319 N CYS A 44 10.184 7.235 -0.276 1.00 0.00 N ATOM 320 CA CYS A 44 8.861 7.852 -0.313 1.00 0.00 C ATOM 321 C CYS A 44 8.186 7.608 -1.654 1.00 0.00 C ATOM 322 O CYS A 44 7.201 8.256 -1.990 1.00 0.00 O ATOM 323 CB CYS A 44 8.936 9.354 -0.022 1.00 0.00 C ATOM 324 SG CYS A 44 9.209 9.765 1.733 1.00 0.00 S ATOM 0 H CYS A 44 10.853 7.620 -0.943 1.00 0.00 H new ATOM 0 HA CYS A 44 8.261 7.386 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.742 9.787 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.010 9.823 -0.353 1.00 0.00 H new ATOM 329 N GLN A 45 8.728 6.672 -2.419 1.00 0.00 N ATOM 330 CA GLN A 45 8.117 6.263 -3.672 1.00 0.00 C ATOM 331 C GLN A 45 8.447 4.802 -3.948 1.00 0.00 C ATOM 332 O GLN A 45 9.398 4.477 -4.664 1.00 0.00 O ATOM 333 CB GLN A 45 8.532 7.169 -4.847 1.00 0.00 C ATOM 334 CG GLN A 45 10.031 7.370 -5.029 1.00 0.00 C ATOM 335 CD GLN A 45 10.541 8.664 -4.418 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.013 9.153 -3.421 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.574 9.235 -5.021 1.00 0.00 N ATOM 0 H GLN A 45 9.593 6.181 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 45 7.037 6.370 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.126 6.748 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.067 8.145 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.561 6.530 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.265 7.362 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.987 8.800 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.956 10.109 -4.660 1.00 0.00 H new ATOM 346 N GLY A 46 7.656 3.925 -3.350 1.00 0.00 N ATOM 347 CA GLY A 46 7.918 2.506 -3.442 1.00 0.00 C ATOM 348 C GLY A 46 6.709 1.666 -3.102 1.00 0.00 C ATOM 349 O GLY A 46 5.574 2.135 -3.206 1.00 0.00 O ATOM 0 H GLY A 46 6.833 4.173 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.249 2.267 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.736 2.247 -2.769 1.00 0.00 H new ATOM 353 N GLN A 47 6.951 0.425 -2.694 1.00 0.00 N ATOM 354 CA GLN A 47 5.875 -0.500 -2.373 1.00 0.00 C ATOM 355 C GLN A 47 5.336 -0.216 -0.980 1.00 0.00 C ATOM 356 O GLN A 47 6.101 0.036 -0.047 1.00 0.00 O ATOM 357 CB GLN A 47 6.349 -1.959 -2.440 1.00 0.00 C ATOM 358 CG GLN A 47 7.459 -2.222 -3.446 1.00 0.00 C ATOM 359 CD GLN A 47 8.838 -2.061 -2.832 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.409 -0.973 -2.830 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.377 -3.147 -2.299 1.00 0.00 N ATOM 0 H GLN A 47 7.887 0.037 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 47 5.088 -0.355 -3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.695 -2.260 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.497 -2.593 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.355 -3.232 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.355 -1.536 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.870 -4.032 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.299 -3.099 -1.866 1.00 0.00 H new ATOM 370 N LEU A 48 4.021 -0.247 -0.848 1.00 0.00 N ATOM 371 CA LEU A 48 3.386 -0.068 0.446 1.00 0.00 C ATOM 372 C LEU A 48 3.485 -1.348 1.266 1.00 0.00 C ATOM 373 O LEU A 48 2.857 -2.358 0.939 1.00 0.00 O ATOM 374 CB LEU A 48 1.916 0.334 0.278 1.00 0.00 C ATOM 375 CG LEU A 48 1.169 0.638 1.580 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.764 1.851 2.275 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.312 0.849 1.305 1.00 0.00 C ATOM 0 H LEU A 48 3.372 -0.394 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 48 3.907 0.732 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.868 1.214 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.394 -0.469 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 48 1.278 -0.219 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.217 2.047 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.811 1.659 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.691 2.718 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.829 1.064 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.439 1.687 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.731 -0.052 0.858 1.00 0.00 H new ATOM 389 N GLU A 49 4.294 -1.303 2.308 1.00 0.00 N ATOM 390 CA GLU A 49 4.414 -2.414 3.234 1.00 0.00 C ATOM 391 C GLU A 49 3.851 -2.015 4.589 1.00 0.00 C ATOM 392 O GLU A 49 4.223 -0.979 5.142 1.00 0.00 O ATOM 393 CB GLU A 49 5.874 -2.865 3.361 1.00 0.00 C ATOM 394 CG GLU A 49 6.362 -3.646 2.151 1.00 0.00 C ATOM 395 CD GLU A 49 7.811 -4.074 2.261 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.185 -4.658 3.299 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.583 -3.825 1.310 1.00 0.00 O ATOM 0 H GLU A 49 4.883 -0.502 2.536 1.00 0.00 H new ATOM 0 HA GLU A 49 3.841 -3.257 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.508 -1.990 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.981 -3.483 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.738 -4.530 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.238 -3.034 1.258 1.00 0.00 H new ATOM 404 N VAL A 50 2.940 -2.823 5.110 1.00 0.00 N ATOM 405 CA VAL A 50 2.253 -2.503 6.354 1.00 0.00 C ATOM 406 C VAL A 50 2.421 -3.622 7.371 1.00 0.00 C ATOM 407 O VAL A 50 2.647 -4.775 7.009 1.00 0.00 O ATOM 408 CB VAL A 50 0.742 -2.254 6.126 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.524 -1.141 5.113 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.037 -3.531 5.683 1.00 0.00 C ATOM 0 H VAL A 50 2.658 -3.708 4.689 1.00 0.00 H new ATOM 0 HA VAL A 50 2.706 -1.589 6.737 1.00 0.00 H new ATOM 0 HB VAL A 50 0.308 -1.941 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.545 -0.984 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.980 -0.221 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.981 -1.419 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.023 -3.327 5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.477 -3.885 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.152 -4.296 6.451 1.00 0.00 H new ATOM 420 N TYR A 51 2.319 -3.275 8.644 1.00 0.00 N ATOM 421 CA TYR A 51 2.414 -4.259 9.711 1.00 0.00 C ATOM 422 C TYR A 51 1.011 -4.736 10.076 1.00 0.00 C ATOM 423 O TYR A 51 0.341 -4.139 10.920 1.00 0.00 O ATOM 424 CB TYR A 51 3.106 -3.654 10.933 1.00 0.00 C ATOM 425 CG TYR A 51 3.720 -4.674 11.869 1.00 0.00 C ATOM 426 CD1 TYR A 51 2.952 -5.326 12.824 1.00 0.00 C ATOM 427 CD2 TYR A 51 5.074 -4.976 11.801 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.517 -6.251 13.682 1.00 0.00 C ATOM 429 CE2 TYR A 51 5.643 -5.901 12.653 1.00 0.00 C ATOM 430 CZ TYR A 51 4.861 -6.535 13.592 1.00 0.00 C ATOM 431 OH TYR A 51 5.425 -7.458 14.445 1.00 0.00 O ATOM 0 H TYR A 51 2.170 -2.318 8.964 1.00 0.00 H new ATOM 0 HA TYR A 51 3.008 -5.107 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.887 -2.973 10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.382 -3.058 11.488 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.897 -5.107 12.898 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.692 -4.478 11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.906 -6.749 14.420 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.697 -6.126 12.583 1.00 0.00 H new ATOM 0 HH TYR A 51 6.381 -7.543 14.249 1.00 0.00 H new ATOM 441 N LEU A 52 0.570 -5.800 9.422 1.00 0.00 N ATOM 442 CA LEU A 52 -0.800 -6.276 9.573 1.00 0.00 C ATOM 443 C LEU A 52 -0.964 -7.092 10.852 1.00 0.00 C ATOM 444 O LEU A 52 -1.551 -6.627 11.829 1.00 0.00 O ATOM 445 CB LEU A 52 -1.216 -7.119 8.358 1.00 0.00 C ATOM 446 CG LEU A 52 -2.705 -7.461 8.280 1.00 0.00 C ATOM 447 CD1 LEU A 52 -3.514 -6.233 7.889 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.944 -8.602 7.303 1.00 0.00 C ATOM 0 H LEU A 52 1.140 -6.352 8.781 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.448 -5.402 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.935 -6.583 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.646 -8.048 8.369 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.036 -7.787 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.571 -6.495 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.369 -5.450 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.182 -5.874 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.009 -8.829 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.597 -8.311 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.397 -9.485 7.634 1.00 0.00 H new ATOM 460 N LYS A 53 -0.424 -8.301 10.852 1.00 0.00 N ATOM 461 CA LYS A 53 -0.610 -9.219 11.963 1.00 0.00 C ATOM 462 C LYS A 53 0.602 -10.130 12.103 1.00 0.00 C ATOM 463 O LYS A 53 1.138 -10.304 13.197 1.00 0.00 O ATOM 464 CB LYS A 53 -1.886 -10.045 11.743 1.00 0.00 C ATOM 465 CG LYS A 53 -2.130 -11.124 12.785 1.00 0.00 C ATOM 466 CD LYS A 53 -3.449 -11.838 12.534 1.00 0.00 C ATOM 467 CE LYS A 53 -3.632 -13.033 13.453 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.634 -14.102 13.179 1.00 0.00 N ATOM 0 H LYS A 53 0.148 -8.669 10.092 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.715 -8.649 12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.742 -9.370 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.835 -10.513 10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.313 -11.845 12.765 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.137 -10.678 13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.273 -11.139 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.491 -12.169 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.543 -12.710 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.638 -13.435 13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.930 -14.982 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.570 -14.262 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.704 -13.811 13.543 1.00 0.00 H new ATOM 481 N ASP A 54 1.038 -10.695 10.984 1.00 0.00 N ATOM 482 CA ASP A 54 2.194 -11.587 10.973 1.00 0.00 C ATOM 483 C ASP A 54 3.489 -10.790 11.037 1.00 0.00 C ATOM 484 O ASP A 54 4.507 -11.276 11.529 1.00 0.00 O ATOM 485 CB ASP A 54 2.184 -12.451 9.709 1.00 0.00 C ATOM 486 CG ASP A 54 2.399 -11.632 8.451 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.544 -10.774 8.141 1.00 0.00 O ATOM 488 OD2 ASP A 54 3.423 -11.841 7.770 1.00 0.00 O ATOM 0 H ASP A 54 0.609 -10.552 10.070 1.00 0.00 H new ATOM 0 HA ASP A 54 2.134 -12.232 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.963 -13.209 9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.232 -12.978 9.639 1.00 0.00 H new ATOM 493 N GLY A 55 3.432 -9.563 10.545 1.00 0.00 N ATOM 494 CA GLY A 55 4.601 -8.714 10.492 1.00 0.00 C ATOM 495 C GLY A 55 4.472 -7.706 9.376 1.00 0.00 C ATOM 496 O GLY A 55 3.363 -7.248 9.084 1.00 0.00 O ATOM 0 H GLY A 55 2.583 -9.135 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.726 -8.198 11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.493 -9.322 10.340 1.00 0.00 H new ATOM 500 N TRP A 56 5.584 -7.365 8.742 1.00 0.00 N ATOM 501 CA TRP A 56 5.555 -6.450 7.609 1.00 0.00 C ATOM 502 C TRP A 56 5.146 -7.191 6.340 1.00 0.00 C ATOM 503 O TRP A 56 5.835 -8.108 5.886 1.00 0.00 O ATOM 504 CB TRP A 56 6.911 -5.762 7.429 1.00 0.00 C ATOM 505 CG TRP A 56 7.203 -4.759 8.503 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.032 -4.917 9.577 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.654 -3.439 8.613 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.031 -3.778 10.344 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.196 -2.856 9.772 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.761 -2.692 7.841 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.869 -1.564 10.179 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.440 -1.412 8.245 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.993 -0.858 9.402 1.00 0.00 C ATOM 0 H TRP A 56 6.513 -7.705 8.990 1.00 0.00 H new ATOM 0 HA TRP A 56 4.813 -5.677 7.809 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.697 -6.517 7.420 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.935 -5.265 6.459 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.604 -5.807 9.792 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.566 -3.641 11.202 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.329 -3.109 6.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.292 -1.136 11.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.749 -0.828 7.656 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.723 0.148 9.688 1.00 0.00 H new ATOM 524 N HIS A 57 4.015 -6.791 5.778 1.00 0.00 N ATOM 525 CA HIS A 57 3.458 -7.457 4.614 1.00 0.00 C ATOM 526 C HIS A 57 3.206 -6.437 3.511 1.00 0.00 C ATOM 527 O HIS A 57 2.745 -5.326 3.779 1.00 0.00 O ATOM 528 CB HIS A 57 2.146 -8.159 4.986 1.00 0.00 C ATOM 529 CG HIS A 57 2.093 -9.597 4.567 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.003 -10.642 5.462 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.108 -10.162 3.338 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.962 -11.784 4.804 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.025 -11.522 3.514 1.00 0.00 N ATOM 0 H HIS A 57 3.463 -6.002 6.114 1.00 0.00 H new ATOM 0 HA HIS A 57 4.168 -8.204 4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.005 -8.099 6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.315 -7.625 4.526 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.973 -10.546 6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.173 -9.641 2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.889 -12.766 5.247 1.00 0.00 H new ATOM 541 N MET A 58 3.514 -6.813 2.277 1.00 0.00 N ATOM 542 CA MET A 58 3.330 -5.926 1.136 1.00 0.00 C ATOM 543 C MET A 58 1.859 -5.864 0.758 1.00 0.00 C ATOM 544 O MET A 58 1.134 -6.839 0.932 1.00 0.00 O ATOM 545 CB MET A 58 4.148 -6.415 -0.063 1.00 0.00 C ATOM 546 CG MET A 58 5.634 -6.550 0.220 1.00 0.00 C ATOM 547 SD MET A 58 6.560 -7.166 -1.200 1.00 0.00 S ATOM 548 CE MET A 58 6.129 -5.945 -2.434 1.00 0.00 C ATOM 0 H MET A 58 3.894 -7.730 2.040 1.00 0.00 H new ATOM 0 HA MET A 58 3.675 -4.930 1.415 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.760 -7.381 -0.385 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.008 -5.722 -0.893 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.033 -5.580 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.779 -7.225 1.064 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.825 -6.011 -3.270 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.116 -6.130 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.183 -4.949 -1.995 1.00 0.00 H new ATOM 558 N VAL A 59 1.420 -4.721 0.256 1.00 0.00 N ATOM 559 CA VAL A 59 0.036 -4.561 -0.168 1.00 0.00 C ATOM 560 C VAL A 59 -0.071 -4.662 -1.688 1.00 0.00 C ATOM 561 O VAL A 59 0.672 -4.002 -2.419 1.00 0.00 O ATOM 562 CB VAL A 59 -0.561 -3.212 0.304 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.006 -3.061 -0.157 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.479 -3.092 1.817 1.00 0.00 C ATOM 0 H VAL A 59 2.000 -3.891 0.132 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.537 -5.365 0.294 1.00 0.00 H new ATOM 0 HB VAL A 59 0.027 -2.411 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.400 -2.105 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.046 -3.098 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.606 -3.871 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.903 -2.138 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.039 -3.906 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.564 -3.146 2.130 1.00 0.00 H new ATOM 574 N CYS A 60 -0.978 -5.507 -2.152 1.00 0.00 N ATOM 575 CA CYS A 60 -1.234 -5.662 -3.576 1.00 0.00 C ATOM 576 C CYS A 60 -2.097 -4.498 -4.051 1.00 0.00 C ATOM 577 O CYS A 60 -3.094 -4.164 -3.414 1.00 0.00 O ATOM 578 CB CYS A 60 -1.945 -6.996 -3.845 1.00 0.00 C ATOM 579 SG CYS A 60 -1.793 -7.608 -5.557 1.00 0.00 S ATOM 0 H CYS A 60 -1.555 -6.102 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.290 -5.663 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.544 -7.749 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.003 -6.883 -3.606 1.00 0.00 H new ATOM 584 N SER A 61 -1.723 -3.878 -5.160 1.00 0.00 N ATOM 585 CA SER A 61 -2.426 -2.695 -5.648 1.00 0.00 C ATOM 586 C SER A 61 -3.781 -3.032 -6.277 1.00 0.00 C ATOM 587 O SER A 61 -4.484 -2.146 -6.755 1.00 0.00 O ATOM 588 CB SER A 61 -1.541 -1.935 -6.627 1.00 0.00 C ATOM 589 OG SER A 61 -0.687 -2.817 -7.333 1.00 0.00 O ATOM 0 H SER A 61 -0.938 -4.172 -5.741 1.00 0.00 H new ATOM 0 HA SER A 61 -2.639 -2.060 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.163 -1.384 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.944 -1.200 -6.087 1.00 0.00 H new ATOM 0 HG SER A 61 0.247 -2.563 -7.178 1.00 0.00 H new ATOM 595 N GLN A 62 -4.150 -4.311 -6.253 1.00 0.00 N ATOM 596 CA GLN A 62 -5.483 -4.730 -6.677 1.00 0.00 C ATOM 597 C GLN A 62 -6.451 -4.619 -5.495 1.00 0.00 C ATOM 598 O GLN A 62 -7.617 -5.009 -5.583 1.00 0.00 O ATOM 599 CB GLN A 62 -5.467 -6.180 -7.179 1.00 0.00 C ATOM 600 CG GLN A 62 -4.375 -6.503 -8.191 1.00 0.00 C ATOM 601 CD GLN A 62 -4.451 -5.658 -9.448 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.798 -4.623 -9.555 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.253 -6.094 -10.405 1.00 0.00 N ATOM 0 H GLN A 62 -3.546 -5.073 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.806 -4.081 -7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.354 -6.843 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.435 -6.403 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.401 -6.358 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.443 -7.556 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.778 -6.959 -10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.347 -5.565 -11.272 1.00 0.00 H new ATOM 612 N SER A 63 -5.945 -4.079 -4.390 1.00 0.00 N ATOM 613 CA SER A 63 -6.678 -4.020 -3.135 1.00 0.00 C ATOM 614 C SER A 63 -7.859 -3.056 -3.220 1.00 0.00 C ATOM 615 O SER A 63 -7.832 -2.089 -3.979 1.00 0.00 O ATOM 616 CB SER A 63 -5.730 -3.583 -2.010 1.00 0.00 C ATOM 617 OG SER A 63 -6.329 -3.734 -0.740 1.00 0.00 O ATOM 0 H SER A 63 -5.012 -3.670 -4.342 1.00 0.00 H new ATOM 0 HA SER A 63 -7.073 -5.014 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.815 -4.173 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.445 -2.541 -2.157 1.00 0.00 H new ATOM 0 HG SER A 63 -6.738 -2.886 -0.468 1.00 0.00 H new ATOM 623 N TRP A 64 -8.897 -3.353 -2.440 1.00 0.00 N ATOM 624 CA TRP A 64 -10.087 -2.506 -2.325 1.00 0.00 C ATOM 625 C TRP A 64 -10.768 -2.291 -3.675 1.00 0.00 C ATOM 626 O TRP A 64 -11.517 -1.328 -3.862 1.00 0.00 O ATOM 627 CB TRP A 64 -9.730 -1.163 -1.683 1.00 0.00 C ATOM 628 CG TRP A 64 -9.071 -1.311 -0.342 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.612 -1.864 0.783 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.745 -0.901 0.011 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.701 -1.828 1.811 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.548 -1.241 1.362 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.705 -0.284 -0.687 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.356 -0.983 2.029 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.521 -0.029 -0.024 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.355 -0.377 1.320 1.00 0.00 C ATOM 0 H TRP A 64 -8.938 -4.194 -1.865 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.797 -3.027 -1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.066 -0.613 -2.350 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.636 -0.567 -1.573 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.610 -2.270 0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.858 -2.181 2.755 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.824 -0.012 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.225 -1.251 3.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.709 0.448 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.416 -0.163 1.809 1.00 0.00 H new ATOM 647 N GLY A 65 -10.509 -3.199 -4.607 1.00 0.00 N ATOM 648 CA GLY A 65 -11.142 -3.141 -5.908 1.00 0.00 C ATOM 649 C GLY A 65 -10.684 -1.956 -6.737 1.00 0.00 C ATOM 650 O GLY A 65 -11.502 -1.280 -7.357 1.00 0.00 O ATOM 0 H GLY A 65 -9.866 -3.981 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.929 -4.062 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.223 -3.091 -5.778 1.00 0.00 H new ATOM 654 N ARG A 66 -9.383 -1.687 -6.737 1.00 0.00 N ATOM 655 CA ARG A 66 -8.836 -0.626 -7.575 1.00 0.00 C ATOM 656 C ARG A 66 -8.920 -1.026 -9.045 1.00 0.00 C ATOM 657 O ARG A 66 -8.804 -2.203 -9.389 1.00 0.00 O ATOM 658 CB ARG A 66 -7.378 -0.316 -7.213 1.00 0.00 C ATOM 659 CG ARG A 66 -7.161 0.221 -5.801 1.00 0.00 C ATOM 660 CD ARG A 66 -7.977 1.478 -5.519 1.00 0.00 C ATOM 661 NE ARG A 66 -9.369 1.173 -5.192 1.00 0.00 N ATOM 662 CZ ARG A 66 -10.202 2.038 -4.620 1.00 0.00 C ATOM 663 NH1 ARG A 66 -9.798 3.270 -4.349 1.00 0.00 N ATOM 664 NH2 ARG A 66 -11.435 1.669 -4.309 1.00 0.00 N ATOM 0 H ARG A 66 -8.693 -2.183 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.429 0.272 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.789 -1.225 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.990 0.412 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.427 -0.550 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.103 0.440 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.523 2.025 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.946 2.132 -6.390 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.722 0.243 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.847 3.557 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.438 3.932 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.749 0.719 -4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.071 2.335 -3.870 1.00 0.00 H new ATOM 677 N SER A 67 -9.143 -0.043 -9.901 1.00 0.00 N ATOM 678 CA SER A 67 -9.196 -0.269 -11.332 1.00 0.00 C ATOM 679 C SER A 67 -7.811 -0.608 -11.869 1.00 0.00 C ATOM 680 O SER A 67 -6.805 -0.234 -11.267 1.00 0.00 O ATOM 681 CB SER A 67 -9.733 0.987 -12.015 1.00 0.00 C ATOM 682 OG SER A 67 -9.048 2.141 -11.553 1.00 0.00 O ATOM 0 H SER A 67 -9.291 0.927 -9.624 1.00 0.00 H new ATOM 0 HA SER A 67 -9.857 -1.110 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.617 0.897 -13.095 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.800 1.087 -11.816 1.00 0.00 H new ATOM 0 HG SER A 67 -9.532 2.526 -10.792 1.00 0.00 H new ATOM 688 N SER A 68 -7.765 -1.294 -13.007 1.00 0.00 N ATOM 689 CA SER A 68 -6.501 -1.681 -13.632 1.00 0.00 C ATOM 690 C SER A 68 -5.851 -0.483 -14.333 1.00 0.00 C ATOM 691 O SER A 68 -5.374 -0.583 -15.466 1.00 0.00 O ATOM 692 CB SER A 68 -6.747 -2.816 -14.630 1.00 0.00 C ATOM 693 OG SER A 68 -7.449 -3.888 -14.018 1.00 0.00 O ATOM 0 H SER A 68 -8.594 -1.596 -13.519 1.00 0.00 H new ATOM 0 HA SER A 68 -5.818 -2.028 -12.857 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.318 -2.441 -15.480 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.795 -3.176 -15.019 1.00 0.00 H new ATOM 0 HG SER A 68 -7.596 -4.600 -14.675 1.00 0.00 H new ATOM 699 N LYS A 69 -5.843 0.645 -13.638 1.00 0.00 N ATOM 700 CA LYS A 69 -5.294 1.891 -14.140 1.00 0.00 C ATOM 701 C LYS A 69 -4.776 2.693 -12.956 1.00 0.00 C ATOM 702 O LYS A 69 -5.142 2.409 -11.812 1.00 0.00 O ATOM 703 CB LYS A 69 -6.365 2.709 -14.882 1.00 0.00 C ATOM 704 CG LYS A 69 -6.952 2.013 -16.099 1.00 0.00 C ATOM 705 CD LYS A 69 -7.998 2.876 -16.782 1.00 0.00 C ATOM 706 CE LYS A 69 -8.600 2.174 -17.991 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.275 0.901 -17.621 1.00 0.00 N ATOM 0 H LYS A 69 -6.224 0.719 -12.695 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.490 1.672 -14.843 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.172 2.944 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.929 3.657 -15.196 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.155 1.778 -16.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.400 1.066 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.788 3.122 -16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.546 3.817 -17.095 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.318 2.837 -18.474 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.815 1.969 -18.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.867 0.579 -18.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.559 0.178 -17.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.872 1.055 -16.784 1.00 0.00 H new ATOM 720 N GLN A 70 -3.929 3.676 -13.218 1.00 0.00 N ATOM 721 CA GLN A 70 -3.423 4.539 -12.159 1.00 0.00 C ATOM 722 C GLN A 70 -4.581 5.342 -11.563 1.00 0.00 C ATOM 723 O GLN A 70 -5.280 6.063 -12.278 1.00 0.00 O ATOM 724 CB GLN A 70 -2.335 5.469 -12.702 1.00 0.00 C ATOM 725 CG GLN A 70 -1.529 6.173 -11.622 1.00 0.00 C ATOM 726 CD GLN A 70 -0.420 7.037 -12.189 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.632 7.201 -11.573 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.646 7.602 -13.365 1.00 0.00 N ATOM 0 H GLN A 70 -3.578 3.897 -14.150 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.977 3.927 -11.375 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.656 4.891 -13.329 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.799 6.219 -13.342 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.196 6.792 -11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.098 5.428 -10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.531 7.442 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.065 8.197 -13.790 1.00 0.00 H new ATOM 737 N TRP A 71 -4.781 5.203 -10.259 1.00 0.00 N ATOM 738 CA TRP A 71 -5.956 5.758 -9.596 1.00 0.00 C ATOM 739 C TRP A 71 -5.854 7.280 -9.467 1.00 0.00 C ATOM 740 O TRP A 71 -4.777 7.824 -9.219 1.00 0.00 O ATOM 741 CB TRP A 71 -6.130 5.097 -8.224 1.00 0.00 C ATOM 742 CG TRP A 71 -7.442 5.394 -7.563 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.636 6.088 -6.406 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.743 4.997 -8.016 1.00 0.00 C ATOM 745 NE1 TRP A 71 -8.975 6.148 -6.111 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.675 5.488 -7.084 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.212 4.277 -9.119 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.046 5.282 -7.219 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.573 4.074 -9.252 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.475 4.574 -8.306 1.00 0.00 C ATOM 0 H TRP A 71 -4.142 4.709 -9.636 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.835 5.546 -10.204 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.029 4.018 -8.337 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.323 5.426 -7.569 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.851 6.527 -5.809 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.382 6.610 -5.298 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.524 3.887 -9.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.744 5.668 -6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.947 3.520 -10.101 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.532 4.397 -8.438 1.00 0.00 H new ATOM 761 N GLU A 72 -6.987 7.957 -9.632 1.00 0.00 N ATOM 762 CA GLU A 72 -7.024 9.420 -9.660 1.00 0.00 C ATOM 763 C GLU A 72 -7.253 10.031 -8.276 1.00 0.00 C ATOM 764 O GLU A 72 -7.592 11.209 -8.167 1.00 0.00 O ATOM 765 CB GLU A 72 -8.126 9.899 -10.610 1.00 0.00 C ATOM 766 CG GLU A 72 -7.785 9.751 -12.083 1.00 0.00 C ATOM 767 CD GLU A 72 -6.611 10.612 -12.495 1.00 0.00 C ATOM 768 OE1 GLU A 72 -6.748 11.855 -12.501 1.00 0.00 O ATOM 769 OE2 GLU A 72 -5.546 10.050 -12.827 1.00 0.00 O ATOM 0 H GLU A 72 -7.898 7.514 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.047 9.753 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.038 9.340 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.340 10.947 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.558 8.707 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.655 10.018 -12.683 1.00 0.00 H new ATOM 776 N ASP A 73 -7.077 9.246 -7.223 1.00 0.00 N ATOM 777 CA ASP A 73 -7.231 9.764 -5.863 1.00 0.00 C ATOM 778 C ASP A 73 -6.243 9.079 -4.926 1.00 0.00 C ATOM 779 O ASP A 73 -6.613 8.196 -4.147 1.00 0.00 O ATOM 780 CB ASP A 73 -8.665 9.565 -5.356 1.00 0.00 C ATOM 781 CG ASP A 73 -8.994 10.450 -4.162 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.224 10.461 -3.179 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.032 11.146 -4.208 1.00 0.00 O ATOM 0 H ASP A 73 -6.830 8.258 -7.278 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.023 10.834 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.365 9.778 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.806 8.520 -5.079 1.00 0.00 H new ATOM 788 N PRO A 74 -4.960 9.450 -5.013 1.00 0.00 N ATOM 789 CA PRO A 74 -3.924 8.876 -4.166 1.00 0.00 C ATOM 790 C PRO A 74 -3.797 9.590 -2.823 1.00 0.00 C ATOM 791 O PRO A 74 -3.193 9.065 -1.886 1.00 0.00 O ATOM 792 CB PRO A 74 -2.666 9.077 -5.000 1.00 0.00 C ATOM 793 CG PRO A 74 -2.915 10.335 -5.762 1.00 0.00 C ATOM 794 CD PRO A 74 -4.409 10.437 -5.961 1.00 0.00 C ATOM 0 HA PRO A 74 -4.131 7.838 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.782 9.165 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.496 8.235 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.538 11.199 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.398 10.315 -6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.773 11.442 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.692 10.206 -6.988 1.00 0.00 H new ATOM 802 N SER A 75 -4.403 10.770 -2.730 1.00 0.00 N ATOM 803 CA SER A 75 -4.283 11.627 -1.554 1.00 0.00 C ATOM 804 C SER A 75 -4.932 11.006 -0.316 1.00 0.00 C ATOM 805 O SER A 75 -4.823 11.538 0.788 1.00 0.00 O ATOM 806 CB SER A 75 -4.889 12.999 -1.858 1.00 0.00 C ATOM 807 OG SER A 75 -6.066 12.866 -2.638 1.00 0.00 O ATOM 0 H SER A 75 -4.991 11.159 -3.467 1.00 0.00 H new ATOM 0 HA SER A 75 -3.223 11.740 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.121 13.514 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.162 13.613 -2.389 1.00 0.00 H new ATOM 0 HG SER A 75 -6.440 13.753 -2.820 1.00 0.00 H new ATOM 813 N GLN A 76 -5.599 9.876 -0.497 1.00 0.00 N ATOM 814 CA GLN A 76 -6.169 9.141 0.621 1.00 0.00 C ATOM 815 C GLN A 76 -5.060 8.677 1.565 1.00 0.00 C ATOM 816 O GLN A 76 -5.279 8.501 2.763 1.00 0.00 O ATOM 817 CB GLN A 76 -6.952 7.925 0.113 1.00 0.00 C ATOM 818 CG GLN A 76 -8.078 8.258 -0.858 1.00 0.00 C ATOM 819 CD GLN A 76 -9.245 8.979 -0.209 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.079 9.732 0.752 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.436 8.758 -0.741 1.00 0.00 N ATOM 0 H GLN A 76 -5.759 9.448 -1.409 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.847 9.802 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.258 7.241 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.372 7.396 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.681 8.877 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.439 7.336 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.530 8.127 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.260 9.219 -0.355 1.00 0.00 H new ATOM 830 N ALA A 77 -3.861 8.517 1.012 1.00 0.00 N ATOM 831 CA ALA A 77 -2.741 7.945 1.747 1.00 0.00 C ATOM 832 C ALA A 77 -1.696 8.994 2.118 1.00 0.00 C ATOM 833 O ALA A 77 -0.544 8.653 2.391 1.00 0.00 O ATOM 834 CB ALA A 77 -2.102 6.834 0.927 1.00 0.00 C ATOM 0 H ALA A 77 -3.641 8.778 0.051 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.132 7.538 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.265 6.409 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.840 6.056 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.743 7.240 -0.019 1.00 0.00 H new ATOM 840 N SER A 78 -2.095 10.265 2.142 1.00 0.00 N ATOM 841 CA SER A 78 -1.182 11.349 2.517 1.00 0.00 C ATOM 842 C SER A 78 -0.556 11.106 3.892 1.00 0.00 C ATOM 843 O SER A 78 0.597 11.469 4.132 1.00 0.00 O ATOM 844 CB SER A 78 -1.912 12.694 2.513 1.00 0.00 C ATOM 845 OG SER A 78 -2.401 13.012 1.222 1.00 0.00 O ATOM 0 H SER A 78 -3.040 10.571 1.908 1.00 0.00 H new ATOM 0 HA SER A 78 -0.383 11.371 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.741 12.662 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.235 13.478 2.851 1.00 0.00 H new ATOM 0 HG SER A 78 -3.229 12.516 1.055 1.00 0.00 H new ATOM 851 N LYS A 79 -1.313 10.468 4.780 1.00 0.00 N ATOM 852 CA LYS A 79 -0.860 10.212 6.143 1.00 0.00 C ATOM 853 C LYS A 79 0.323 9.243 6.168 1.00 0.00 C ATOM 854 O LYS A 79 1.187 9.334 7.037 1.00 0.00 O ATOM 855 CB LYS A 79 -2.014 9.662 6.980 1.00 0.00 C ATOM 856 CG LYS A 79 -3.207 10.600 7.044 1.00 0.00 C ATOM 857 CD LYS A 79 -2.869 11.888 7.775 1.00 0.00 C ATOM 858 CE LYS A 79 -3.960 12.933 7.602 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.063 13.393 6.192 1.00 0.00 N ATOM 0 H LYS A 79 -2.249 10.117 4.578 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.523 11.156 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.333 8.707 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.659 9.466 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.542 10.832 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.035 10.102 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.729 11.679 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.924 12.282 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.916 12.517 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.753 13.786 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.551 14.311 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.109 13.494 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.601 12.697 5.638 1.00 0.00 H new ATOM 872 N VAL A 80 0.366 8.332 5.202 1.00 0.00 N ATOM 873 CA VAL A 80 1.471 7.384 5.096 1.00 0.00 C ATOM 874 C VAL A 80 2.762 8.127 4.789 1.00 0.00 C ATOM 875 O VAL A 80 3.772 7.952 5.471 1.00 0.00 O ATOM 876 CB VAL A 80 1.219 6.321 4.002 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.420 5.394 3.855 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.032 5.513 4.315 1.00 0.00 C ATOM 0 H VAL A 80 -0.349 8.229 4.482 1.00 0.00 H new ATOM 0 HA VAL A 80 1.552 6.869 6.053 1.00 0.00 H new ATOM 0 HB VAL A 80 1.070 6.843 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.217 4.656 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.298 5.978 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.605 4.885 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.191 4.771 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.091 5.009 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.893 6.180 4.363 1.00 0.00 H new ATOM 888 N CYS A 81 2.711 8.978 3.772 1.00 0.00 N ATOM 889 CA CYS A 81 3.860 9.782 3.391 1.00 0.00 C ATOM 890 C CYS A 81 4.247 10.714 4.533 1.00 0.00 C ATOM 891 O CYS A 81 5.427 10.939 4.794 1.00 0.00 O ATOM 892 CB CYS A 81 3.534 10.599 2.140 1.00 0.00 C ATOM 893 SG CYS A 81 2.692 9.648 0.834 1.00 0.00 S ATOM 0 H CYS A 81 1.883 9.128 3.196 1.00 0.00 H new ATOM 0 HA CYS A 81 4.698 9.120 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.905 11.443 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.459 11.011 1.736 1.00 0.00 H new ATOM 898 N GLN A 82 3.236 11.233 5.220 1.00 0.00 N ATOM 899 CA GLN A 82 3.436 12.125 6.353 1.00 0.00 C ATOM 900 C GLN A 82 4.225 11.432 7.465 1.00 0.00 C ATOM 901 O GLN A 82 5.097 12.034 8.089 1.00 0.00 O ATOM 902 CB GLN A 82 2.077 12.602 6.877 1.00 0.00 C ATOM 903 CG GLN A 82 2.157 13.558 8.053 1.00 0.00 C ATOM 904 CD GLN A 82 0.791 14.057 8.488 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.122 14.190 7.672 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.639 14.326 9.774 1.00 0.00 N ATOM 0 H GLN A 82 2.256 11.047 5.007 1.00 0.00 H new ATOM 0 HA GLN A 82 4.016 12.986 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.539 13.090 6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.489 11.732 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.642 13.058 8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.783 14.409 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.421 14.202 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.260 14.657 10.123 1.00 0.00 H new ATOM 915 N ARG A 83 3.933 10.153 7.688 1.00 0.00 N ATOM 916 CA ARG A 83 4.624 9.377 8.717 1.00 0.00 C ATOM 917 C ARG A 83 6.084 9.130 8.337 1.00 0.00 C ATOM 918 O ARG A 83 6.910 8.811 9.192 1.00 0.00 O ATOM 919 CB ARG A 83 3.907 8.044 8.965 1.00 0.00 C ATOM 920 CG ARG A 83 2.550 8.184 9.641 1.00 0.00 C ATOM 921 CD ARG A 83 2.677 8.734 11.054 1.00 0.00 C ATOM 922 NE ARG A 83 1.382 8.827 11.729 1.00 0.00 N ATOM 923 CZ ARG A 83 1.230 9.244 12.983 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.290 9.592 13.699 1.00 0.00 N ATOM 925 NH2 ARG A 83 0.024 9.319 13.523 1.00 0.00 N ATOM 0 H ARG A 83 3.224 9.632 7.172 1.00 0.00 H new ATOM 0 HA ARG A 83 4.606 9.960 9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.775 7.532 8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.544 7.410 9.582 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.916 8.844 9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.057 7.212 9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.342 8.093 11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.138 9.721 11.018 1.00 0.00 H new ATOM 0 HE ARG A 83 0.548 8.557 11.208 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.222 9.540 13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.173 9.912 14.661 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.796 9.056 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.085 9.640 14.485 1.00 0.00 H new ATOM 938 N LEU A 84 6.395 9.272 7.054 1.00 0.00 N ATOM 939 CA LEU A 84 7.770 9.137 6.579 1.00 0.00 C ATOM 940 C LEU A 84 8.397 10.507 6.315 1.00 0.00 C ATOM 941 O LEU A 84 9.472 10.604 5.726 1.00 0.00 O ATOM 942 CB LEU A 84 7.830 8.279 5.313 1.00 0.00 C ATOM 943 CG LEU A 84 7.810 6.761 5.540 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.464 6.289 6.073 1.00 0.00 C ATOM 945 CD2 LEU A 84 8.149 6.033 4.255 1.00 0.00 C ATOM 0 H LEU A 84 5.715 9.481 6.323 1.00 0.00 H new ATOM 0 HA LEU A 84 8.342 8.640 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.987 8.544 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.737 8.535 4.765 1.00 0.00 H new ATOM 0 HG LEU A 84 8.564 6.530 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.489 5.209 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.256 6.781 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.681 6.539 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.131 4.957 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.417 6.288 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.143 6.330 3.920 1.00 0.00 H new ATOM 957 N ASN A 85 7.708 11.553 6.771 1.00 0.00 N ATOM 958 CA ASN A 85 8.158 12.939 6.616 1.00 0.00 C ATOM 959 C ASN A 85 8.257 13.329 5.140 1.00 0.00 C ATOM 960 O ASN A 85 9.201 13.986 4.706 1.00 0.00 O ATOM 961 CB ASN A 85 9.493 13.178 7.336 1.00 0.00 C ATOM 962 CG ASN A 85 9.803 14.656 7.516 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.514 15.265 6.714 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.255 15.253 8.565 1.00 0.00 N ATOM 0 H ASN A 85 6.818 11.464 7.261 1.00 0.00 H new ATOM 0 HA ASN A 85 7.409 13.579 7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.467 12.694 8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.297 12.708 6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.417 16.247 8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.672 14.719 9.209 1.00 0.00 H new ATOM 971 N CYS A 86 7.275 12.905 4.367 1.00 0.00 N ATOM 972 CA CYS A 86 7.138 13.355 2.995 1.00 0.00 C ATOM 973 C CYS A 86 5.769 13.993 2.806 1.00 0.00 C ATOM 974 O CYS A 86 4.891 13.837 3.659 1.00 0.00 O ATOM 975 CB CYS A 86 7.375 12.206 2.001 1.00 0.00 C ATOM 976 SG CYS A 86 9.142 11.794 1.777 1.00 0.00 S ATOM 0 H CYS A 86 6.557 12.246 4.668 1.00 0.00 H new ATOM 0 HA CYS A 86 7.902 14.105 2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.844 11.320 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.947 12.476 1.036 1.00 0.00 H new ATOM 981 N GLY A 87 5.593 14.720 1.715 1.00 0.00 N ATOM 982 CA GLY A 87 4.377 15.480 1.514 1.00 0.00 C ATOM 983 C GLY A 87 3.221 14.633 1.026 1.00 0.00 C ATOM 984 O GLY A 87 3.028 13.508 1.482 1.00 0.00 O ATOM 0 H GLY A 87 6.275 14.798 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.097 15.961 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.567 16.275 0.793 1.00 0.00 H new ATOM 988 N ASP A 88 2.457 15.173 0.092 1.00 0.00 N ATOM 989 CA ASP A 88 1.288 14.478 -0.431 1.00 0.00 C ATOM 990 C ASP A 88 1.688 13.493 -1.519 1.00 0.00 C ATOM 991 O ASP A 88 2.704 13.674 -2.197 1.00 0.00 O ATOM 992 CB ASP A 88 0.253 15.468 -0.976 1.00 0.00 C ATOM 993 CG ASP A 88 -0.456 16.242 0.117 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.355 15.672 0.778 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.128 17.433 0.314 1.00 0.00 O ATOM 0 H ASP A 88 2.623 16.091 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 88 0.836 13.927 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.747 16.169 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.485 14.926 -1.567 1.00 0.00 H new ATOM 1000 N PRO A 89 0.902 12.421 -1.680 1.00 0.00 N ATOM 1001 CA PRO A 89 1.143 11.406 -2.693 1.00 0.00 C ATOM 1002 C PRO A 89 0.648 11.828 -4.075 1.00 0.00 C ATOM 1003 O PRO A 89 -0.519 12.174 -4.258 1.00 0.00 O ATOM 1004 CB PRO A 89 0.360 10.204 -2.174 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.752 10.778 -1.368 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.286 12.117 -0.867 1.00 0.00 C ATOM 0 HA PRO A 89 2.206 11.209 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.022 9.599 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.992 9.555 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.652 10.885 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.004 10.121 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.057 12.877 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.042 12.081 0.195 1.00 0.00 H new ATOM 1014 N LEU A 90 1.556 11.786 -5.037 1.00 0.00 N ATOM 1015 CA LEU A 90 1.262 12.152 -6.414 1.00 0.00 C ATOM 1016 C LEU A 90 0.488 11.047 -7.112 1.00 0.00 C ATOM 1017 O LEU A 90 -0.397 11.309 -7.925 1.00 0.00 O ATOM 1018 CB LEU A 90 2.561 12.414 -7.179 1.00 0.00 C ATOM 1019 CG LEU A 90 3.377 13.616 -6.707 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.730 13.647 -7.404 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.614 14.908 -6.966 1.00 0.00 C ATOM 0 H LEU A 90 2.522 11.496 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 90 0.655 13.057 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.187 11.524 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.319 12.554 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 90 3.545 13.522 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.299 14.509 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.279 12.734 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.583 13.720 -8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.208 15.756 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.419 15.008 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.668 14.886 -6.425 1.00 0.00 H new ATOM 1033 N SER A 91 0.825 9.810 -6.793 1.00 0.00 N ATOM 1034 CA SER A 91 0.219 8.673 -7.455 1.00 0.00 C ATOM 1035 C SER A 91 0.206 7.450 -6.550 1.00 0.00 C ATOM 1036 O SER A 91 1.067 7.295 -5.679 1.00 0.00 O ATOM 1037 CB SER A 91 0.966 8.366 -8.752 1.00 0.00 C ATOM 1038 OG SER A 91 2.367 8.271 -8.533 1.00 0.00 O ATOM 0 H SER A 91 1.514 9.569 -6.081 1.00 0.00 H new ATOM 0 HA SER A 91 -0.815 8.926 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.598 7.431 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.763 9.147 -9.484 1.00 0.00 H new ATOM 0 HG SER A 91 2.818 8.072 -9.380 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.786 6.600 -6.762 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.920 5.353 -6.029 1.00 0.00 C ATOM 1046 C LEU A 92 -1.567 4.317 -6.940 1.00 0.00 C ATOM 1047 O LEU A 92 -2.557 4.613 -7.615 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.766 5.564 -4.761 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.950 4.332 -3.860 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.125 4.762 -2.412 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.157 3.511 -4.292 1.00 0.00 C ATOM 0 H LEU A 92 -1.523 6.757 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 92 0.064 5.001 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.307 6.356 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.751 5.920 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.057 3.715 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.254 3.881 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.242 5.313 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.004 5.401 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.262 2.646 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.056 4.125 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.019 3.173 -5.319 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.999 3.123 -6.980 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.561 2.075 -7.810 1.00 0.00 C ATOM 1065 C GLY A 93 -0.537 1.024 -8.186 1.00 0.00 C ATOM 1066 O GLY A 93 0.484 0.889 -7.512 1.00 0.00 O ATOM 0 H GLY A 93 -0.164 2.860 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.387 1.600 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.975 2.516 -8.717 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.788 0.253 -9.258 1.00 0.00 N ATOM 1071 CA PRO A 94 0.135 -0.783 -9.732 1.00 0.00 C ATOM 1072 C PRO A 94 1.382 -0.185 -10.377 1.00 0.00 C ATOM 1073 O PRO A 94 1.482 -0.100 -11.602 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.686 -1.562 -10.778 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.091 -1.076 -10.637 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.994 0.321 -10.096 1.00 0.00 C ATOM 0 HA PRO A 94 0.498 -1.406 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.309 -1.381 -11.785 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.624 -2.636 -10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.606 -1.087 -11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.660 -1.717 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.894 1.059 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.876 0.594 -9.517 1.00 0.00 H new ATOM 1084 N PHE A 95 2.330 0.240 -9.553 1.00 0.00 N ATOM 1085 CA PHE A 95 3.537 0.878 -10.062 1.00 0.00 C ATOM 1086 C PHE A 95 4.620 -0.163 -10.327 1.00 0.00 C ATOM 1087 O PHE A 95 5.400 -0.033 -11.269 1.00 0.00 O ATOM 1088 CB PHE A 95 4.054 1.933 -9.078 1.00 0.00 C ATOM 1089 CG PHE A 95 4.884 3.008 -9.731 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.274 4.095 -10.339 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.269 2.931 -9.743 1.00 0.00 C ATOM 1092 CE1 PHE A 95 5.030 5.084 -10.943 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.027 3.917 -10.345 1.00 0.00 C ATOM 1094 CZ PHE A 95 6.408 4.993 -10.946 1.00 0.00 C ATOM 0 H PHE A 95 2.288 0.156 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 95 3.286 1.373 -11.000 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.205 2.396 -8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.650 1.441 -8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.197 4.170 -10.341 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.761 2.090 -9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.543 5.926 -11.412 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.105 3.845 -10.345 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.000 5.763 -11.418 1.00 0.00 H new ATOM 1104 N LEU A 96 4.662 -1.196 -9.494 1.00 0.00 N ATOM 1105 CA LEU A 96 5.632 -2.275 -9.655 1.00 0.00 C ATOM 1106 C LEU A 96 4.958 -3.617 -9.412 1.00 0.00 C ATOM 1107 O LEU A 96 3.761 -3.669 -9.126 1.00 0.00 O ATOM 1108 CB LEU A 96 6.813 -2.128 -8.678 1.00 0.00 C ATOM 1109 CG LEU A 96 7.573 -0.799 -8.730 1.00 0.00 C ATOM 1110 CD1 LEU A 96 6.990 0.201 -7.739 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.052 -1.018 -8.454 1.00 0.00 C ATOM 0 H LEU A 96 4.034 -1.310 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 96 6.016 -2.221 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.438 -2.269 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.520 -2.935 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 96 7.464 -0.387 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.547 1.136 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.944 0.387 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.061 -0.203 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.575 -0.063 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.176 -1.457 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.466 -1.691 -9.204 1.00 0.00 H new ATOM 1123 N LYS A 97 5.722 -4.697 -9.527 1.00 0.00 N ATOM 1124 CA LYS A 97 5.229 -6.024 -9.182 1.00 0.00 C ATOM 1125 C LYS A 97 6.386 -6.993 -8.954 1.00 0.00 C ATOM 1126 O LYS A 97 7.225 -7.202 -9.830 1.00 0.00 O ATOM 1127 CB LYS A 97 4.270 -6.568 -10.257 1.00 0.00 C ATOM 1128 CG LYS A 97 4.847 -6.613 -11.666 1.00 0.00 C ATOM 1129 CD LYS A 97 3.868 -7.263 -12.633 1.00 0.00 C ATOM 1130 CE LYS A 97 4.418 -7.324 -14.050 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.478 -8.020 -14.972 1.00 0.00 N ATOM 0 H LYS A 97 6.687 -4.679 -9.857 1.00 0.00 H new ATOM 0 HA LYS A 97 4.668 -5.932 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.963 -7.575 -9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.371 -5.951 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.078 -5.602 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.784 -7.170 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.637 -8.272 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.932 -6.704 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.603 -6.313 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.377 -7.842 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.884 -8.044 -15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.321 -8.992 -14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.572 -7.511 -14.993 1.00 0.00 H new ATOM 1144 N THR A 98 6.441 -7.560 -7.756 1.00 0.00 N ATOM 1145 CA THR A 98 7.441 -8.569 -7.428 1.00 0.00 C ATOM 1146 C THR A 98 6.926 -9.963 -7.769 1.00 0.00 C ATOM 1147 O THR A 98 7.687 -10.933 -7.818 1.00 0.00 O ATOM 1148 CB THR A 98 7.823 -8.509 -5.936 1.00 0.00 C ATOM 1149 OG1 THR A 98 6.637 -8.501 -5.129 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.661 -7.275 -5.631 1.00 0.00 C ATOM 0 H THR A 98 5.802 -7.338 -6.992 1.00 0.00 H new ATOM 0 HA THR A 98 8.330 -8.359 -8.023 1.00 0.00 H new ATOM 0 HB THR A 98 8.418 -9.392 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.886 -8.465 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.915 -7.260 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.576 -7.301 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.093 -6.379 -5.880 1.00 0.00 H new ATOM 1158 N TYR A 99 5.615 -10.038 -7.992 1.00 0.00 N ATOM 1159 CA TYR A 99 4.948 -11.257 -8.453 1.00 0.00 C ATOM 1160 C TYR A 99 5.048 -12.394 -7.432 1.00 0.00 C ATOM 1161 O TYR A 99 4.915 -13.564 -7.782 1.00 0.00 O ATOM 1162 CB TYR A 99 5.530 -11.702 -9.799 1.00 0.00 C ATOM 1163 CG TYR A 99 4.478 -12.035 -10.834 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.912 -13.302 -10.900 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.052 -11.078 -11.748 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.951 -13.606 -11.844 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.092 -11.375 -12.695 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.545 -12.638 -12.737 1.00 0.00 C ATOM 1169 OH TYR A 99 1.587 -12.936 -13.678 1.00 0.00 O ATOM 0 H TYR A 99 4.981 -9.251 -7.857 1.00 0.00 H new ATOM 0 HA TYR A 99 3.891 -11.022 -8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.172 -10.911 -10.187 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.162 -12.576 -9.641 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.229 -14.062 -10.201 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.479 -10.086 -11.717 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.520 -14.596 -11.882 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.772 -10.621 -13.399 1.00 0.00 H new ATOM 0 HH TYR A 99 0.699 -12.900 -13.264 1.00 0.00 H new ATOM 1179 N THR A 100 5.274 -12.049 -6.173 1.00 0.00 N ATOM 1180 CA THR A 100 5.320 -13.046 -5.115 1.00 0.00 C ATOM 1181 C THR A 100 4.003 -13.046 -4.332 1.00 0.00 C ATOM 1182 O THR A 100 3.715 -12.120 -3.569 1.00 0.00 O ATOM 1183 CB THR A 100 6.511 -12.799 -4.171 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.703 -12.617 -4.950 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.706 -13.968 -3.217 1.00 0.00 C ATOM 0 H THR A 100 5.428 -11.090 -5.860 1.00 0.00 H new ATOM 0 HA THR A 100 5.456 -14.025 -5.574 1.00 0.00 H new ATOM 0 HB THR A 100 6.305 -11.905 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.463 -12.458 -4.352 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.554 -13.766 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.807 -14.101 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.897 -14.876 -3.789 1.00 0.00 H new ATOM 1193 N PRO A 101 3.187 -14.096 -4.518 1.00 0.00 N ATOM 1194 CA PRO A 101 1.816 -14.147 -4.005 1.00 0.00 C ATOM 1195 C PRO A 101 1.706 -14.551 -2.532 1.00 0.00 C ATOM 1196 O PRO A 101 0.611 -14.835 -2.043 1.00 0.00 O ATOM 1197 CB PRO A 101 1.170 -15.206 -4.894 1.00 0.00 C ATOM 1198 CG PRO A 101 2.277 -16.147 -5.226 1.00 0.00 C ATOM 1199 CD PRO A 101 3.538 -15.323 -5.265 1.00 0.00 C ATOM 0 HA PRO A 101 1.346 -13.164 -4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.358 -15.717 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.744 -14.762 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.352 -16.937 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.100 -16.632 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.372 -15.848 -4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.835 -15.096 -6.289 1.00 0.00 H new ATOM 1207 N GLN A 102 2.828 -14.584 -1.828 1.00 0.00 N ATOM 1208 CA GLN A 102 2.812 -14.921 -0.409 1.00 0.00 C ATOM 1209 C GLN A 102 3.591 -13.890 0.402 1.00 0.00 C ATOM 1210 O GLN A 102 3.793 -14.049 1.608 1.00 0.00 O ATOM 1211 CB GLN A 102 3.363 -16.332 -0.170 1.00 0.00 C ATOM 1212 CG GLN A 102 2.496 -17.426 -0.781 1.00 0.00 C ATOM 1213 CD GLN A 102 2.905 -18.829 -0.370 1.00 0.00 C ATOM 1214 OE1 GLN A 102 2.066 -19.727 -0.288 1.00 0.00 O ATOM 1215 NE2 GLN A 102 4.187 -19.036 -0.117 1.00 0.00 N ATOM 0 H GLN A 102 3.753 -14.384 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 102 1.775 -14.905 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.368 -16.398 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.451 -16.504 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.459 -17.260 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.540 -17.348 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.853 -18.267 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.509 -19.964 0.157 1.00 0.00 H new ATOM 1224 N SER A 103 4.025 -12.831 -0.267 1.00 0.00 N ATOM 1225 CA SER A 103 4.685 -11.723 0.400 1.00 0.00 C ATOM 1226 C SER A 103 3.784 -10.494 0.375 1.00 0.00 C ATOM 1227 O SER A 103 4.041 -9.495 1.051 1.00 0.00 O ATOM 1228 CB SER A 103 6.018 -11.418 -0.284 1.00 0.00 C ATOM 1229 OG SER A 103 5.831 -11.169 -1.665 1.00 0.00 O ATOM 0 H SER A 103 3.930 -12.718 -1.276 1.00 0.00 H new ATOM 0 HA SER A 103 4.880 -11.996 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.483 -10.552 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.700 -12.257 -0.151 1.00 0.00 H new ATOM 0 HG SER A 103 6.602 -10.675 -2.016 1.00 0.00 H new ATOM 1235 N SER A 104 2.710 -10.589 -0.396 1.00 0.00 N ATOM 1236 CA SER A 104 1.794 -9.479 -0.572 1.00 0.00 C ATOM 1237 C SER A 104 0.357 -9.894 -0.243 1.00 0.00 C ATOM 1238 O SER A 104 -0.063 -11.016 -0.538 1.00 0.00 O ATOM 1239 CB SER A 104 1.897 -8.958 -2.010 1.00 0.00 C ATOM 1240 OG SER A 104 1.782 -10.020 -2.943 1.00 0.00 O ATOM 0 H SER A 104 2.453 -11.431 -0.911 1.00 0.00 H new ATOM 0 HA SER A 104 2.068 -8.681 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.113 -8.223 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.850 -8.448 -2.149 1.00 0.00 H new ATOM 0 HG SER A 104 1.226 -9.734 -3.697 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.383 -8.989 0.382 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.779 -9.228 0.720 1.00 0.00 C ATOM 1248 C ILE A 105 -2.676 -8.300 -0.089 1.00 0.00 C ATOM 1249 O ILE A 105 -2.239 -7.246 -0.547 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.063 -9.011 2.226 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.616 -7.608 2.658 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.384 -10.088 3.063 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.904 -7.286 4.109 1.00 0.00 C ATOM 0 H ILE A 105 -0.035 -8.074 0.668 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.992 -10.270 0.481 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.137 -9.089 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.545 -7.509 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.113 -6.870 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.596 -9.917 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.762 -11.068 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.307 -10.051 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.558 -6.277 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.977 -7.350 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.385 -7.999 4.750 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.926 -8.689 -0.257 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.872 -7.905 -1.033 1.00 0.00 C ATOM 1267 C ILE A 106 -6.182 -7.737 -0.252 1.00 0.00 C ATOM 1268 O ILE A 106 -6.886 -8.706 0.033 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.124 -8.551 -2.424 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.099 -7.705 -3.246 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -5.625 -9.982 -2.289 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.495 -8.342 -4.565 1.00 0.00 C ATOM 0 H ILE A 106 -4.313 -9.548 0.135 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.446 -6.917 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.172 -8.585 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.997 -7.525 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.646 -6.733 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.791 -10.404 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.882 -10.579 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.561 -9.989 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.187 -7.686 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.606 -8.497 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.977 -9.301 -4.376 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.486 -6.507 0.129 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.652 -6.235 0.960 1.00 0.00 C ATOM 1286 C CYS A 107 -8.895 -6.053 0.097 1.00 0.00 C ATOM 1287 O CYS A 107 -8.800 -5.683 -1.074 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.408 -4.994 1.828 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.821 -5.023 2.730 1.00 0.00 S ATOM 0 H CYS A 107 -5.944 -5.681 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.817 -7.089 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.438 -4.108 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.222 -4.900 2.547 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.059 -6.331 0.668 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.313 -6.211 -0.059 1.00 0.00 C ATOM 1296 C TYR A 108 -12.309 -5.350 0.703 1.00 0.00 C ATOM 1297 O TYR A 108 -12.118 -5.061 1.884 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.925 -7.589 -0.319 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.292 -8.339 -1.472 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.657 -8.058 -2.785 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.347 -9.333 -1.253 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.097 -8.748 -3.844 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.780 -10.024 -2.308 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.158 -9.728 -3.600 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.600 -10.417 -4.654 1.00 0.00 O ATOM 0 H TYR A 108 -10.160 -6.642 1.634 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.092 -5.732 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.835 -8.191 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.990 -7.470 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.389 -7.289 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.050 -9.570 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.393 -8.521 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.044 -10.792 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.956 -11.072 -4.312 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.366 -4.942 0.018 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.433 -4.210 0.662 1.00 0.00 C ATOM 1317 C GLY A 109 -14.119 -2.743 0.878 1.00 0.00 C ATOM 1318 O GLY A 109 -13.896 -1.998 -0.076 1.00 0.00 O ATOM 0 H GLY A 109 -13.503 -5.107 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.336 -4.294 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.649 -4.672 1.625 1.00 0.00 H new ATOM 1322 N GLN A 110 -14.083 -2.345 2.142 1.00 0.00 N ATOM 1323 CA GLN A 110 -14.009 -0.940 2.513 1.00 0.00 C ATOM 1324 C GLN A 110 -12.590 -0.404 2.376 1.00 0.00 C ATOM 1325 O GLN A 110 -11.647 -0.949 2.950 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.513 -0.736 3.949 1.00 0.00 C ATOM 1327 CG GLN A 110 -16.002 -1.025 4.145 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.357 -2.495 3.996 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.683 -2.969 2.906 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.300 -3.227 5.095 1.00 0.00 N ATOM 0 H GLN A 110 -14.104 -2.985 2.936 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.649 -0.383 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.940 -1.379 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.313 0.293 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.303 -0.685 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.575 -0.445 3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.026 -2.799 5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.530 -4.220 5.059 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.462 0.675 1.614 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.178 1.318 1.372 1.00 0.00 C ATOM 1341 C LEU A 111 -10.552 1.808 2.675 1.00 0.00 C ATOM 1342 O LEU A 111 -11.161 2.577 3.421 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.364 2.492 0.400 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.114 3.334 0.111 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.065 2.518 -0.625 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.482 4.573 -0.690 1.00 0.00 C ATOM 0 H LEU A 111 -13.247 1.129 1.146 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.503 0.584 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.739 2.099 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.136 3.150 0.800 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.690 3.648 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.190 3.139 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.776 1.662 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.476 2.167 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.584 5.159 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.934 4.274 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.192 5.175 -0.123 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.344 1.341 2.946 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.628 1.783 4.121 1.00 0.00 C ATOM 1360 C GLY A 112 -8.634 0.754 5.234 1.00 0.00 C ATOM 1361 O GLY A 112 -7.886 0.881 6.197 1.00 0.00 O ATOM 0 H GLY A 112 -8.846 0.662 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.597 2.011 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.073 2.709 4.486 1.00 0.00 H new ATOM 1365 N SER A 113 -9.477 -0.266 5.108 1.00 0.00 N ATOM 1366 CA SER A 113 -9.564 -1.302 6.129 1.00 0.00 C ATOM 1367 C SER A 113 -8.407 -2.293 6.000 1.00 0.00 C ATOM 1368 O SER A 113 -8.483 -3.267 5.250 1.00 0.00 O ATOM 1369 CB SER A 113 -10.908 -2.035 6.039 1.00 0.00 C ATOM 1370 OG SER A 113 -11.067 -2.966 7.100 1.00 0.00 O ATOM 0 H SER A 113 -10.105 -0.396 4.315 1.00 0.00 H new ATOM 0 HA SER A 113 -9.495 -0.822 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.721 -1.310 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.976 -2.556 5.084 1.00 0.00 H new ATOM 0 HG SER A 113 -11.934 -3.415 7.014 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.336 -2.028 6.736 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.188 -2.926 6.796 1.00 0.00 C ATOM 1378 C PHE A 114 -6.430 -3.999 7.848 1.00 0.00 C ATOM 1379 O PHE A 114 -5.753 -4.055 8.874 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.905 -2.157 7.130 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.444 -1.231 6.039 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.678 -1.710 4.989 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.762 0.118 6.070 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.241 -0.863 3.990 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -4.329 0.968 5.071 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.567 0.477 4.031 1.00 0.00 C ATOM 0 H PHE A 114 -7.237 -1.188 7.307 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.065 -3.391 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.067 -1.578 8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.111 -2.872 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.420 -2.758 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -5.355 0.509 6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.644 -1.249 3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -4.587 2.016 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.226 1.141 3.250 1.00 0.00 H new ATOM 1396 N SER A 115 -7.431 -4.822 7.604 1.00 0.00 N ATOM 1397 CA SER A 115 -7.774 -5.907 8.510 1.00 0.00 C ATOM 1398 C SER A 115 -8.456 -7.027 7.739 1.00 0.00 C ATOM 1399 O SER A 115 -8.018 -8.178 7.770 1.00 0.00 O ATOM 1400 CB SER A 115 -8.688 -5.396 9.627 1.00 0.00 C ATOM 1401 OG SER A 115 -8.095 -4.297 10.306 1.00 0.00 O ATOM 0 H SER A 115 -8.027 -4.761 6.779 1.00 0.00 H new ATOM 0 HA SER A 115 -6.861 -6.294 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.648 -5.094 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.888 -6.200 10.335 1.00 0.00 H new ATOM 0 HG SER A 115 -8.619 -3.486 10.136 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.520 -6.676 7.031 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.234 -7.628 6.192 1.00 0.00 C ATOM 1409 C ASN A 116 -9.495 -7.803 4.871 1.00 0.00 C ATOM 1410 O ASN A 116 -10.011 -7.486 3.795 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.672 -7.157 5.947 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.445 -6.968 7.239 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.449 -5.879 7.824 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -13.099 -8.024 7.696 1.00 0.00 N ATOM 0 H ASN A 116 -9.910 -5.733 7.021 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.276 -8.589 6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.655 -6.217 5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.188 -7.884 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.633 -7.958 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.069 -8.904 7.182 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.270 -8.288 4.970 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.418 -8.458 3.812 1.00 0.00 C ATOM 1423 C CYS A 117 -7.204 -9.933 3.514 1.00 0.00 C ATOM 1424 O CYS A 117 -7.120 -10.759 4.425 1.00 0.00 O ATOM 1425 CB CYS A 117 -6.080 -7.753 4.035 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.243 -5.989 4.466 1.00 0.00 S ATOM 0 H CYS A 117 -7.842 -8.573 5.851 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.910 -8.007 2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.539 -8.264 4.831 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.477 -7.843 3.131 1.00 0.00 H new ATOM 1431 N SER A 118 -7.115 -10.251 2.238 1.00 0.00 N ATOM 1432 CA SER A 118 -6.995 -11.621 1.787 1.00 0.00 C ATOM 1433 C SER A 118 -5.583 -11.871 1.271 1.00 0.00 C ATOM 1434 O SER A 118 -4.848 -10.932 0.965 1.00 0.00 O ATOM 1435 CB SER A 118 -8.031 -11.881 0.687 1.00 0.00 C ATOM 1436 OG SER A 118 -7.994 -13.218 0.231 1.00 0.00 O ATOM 0 H SER A 118 -7.124 -9.564 1.484 1.00 0.00 H new ATOM 0 HA SER A 118 -7.182 -12.304 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.027 -11.655 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.848 -11.207 -0.150 1.00 0.00 H new ATOM 0 HG SER A 118 -8.669 -13.344 -0.468 1.00 0.00 H new ATOM 1442 N HIS A 119 -5.198 -13.131 1.210 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.908 -13.507 0.656 1.00 0.00 C ATOM 1444 C HIS A 119 -4.015 -13.611 -0.856 1.00 0.00 C ATOM 1445 O HIS A 119 -4.965 -14.200 -1.374 1.00 0.00 O ATOM 1446 CB HIS A 119 -3.421 -14.827 1.261 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.981 -14.703 2.688 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.763 -15.163 3.142 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -3.597 -14.157 3.764 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.648 -14.903 4.430 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -2.746 -14.292 4.833 1.00 0.00 N ATOM 0 H HIS A 119 -5.761 -13.916 1.538 1.00 0.00 H new ATOM 0 HA HIS A 119 -3.176 -12.739 0.906 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -4.222 -15.564 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.591 -15.207 0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.576 -13.700 3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.799 -15.149 5.050 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -2.932 -13.972 5.784 1.00 0.00 H new ATOM 1459 N SER A 120 -3.049 -13.035 -1.555 1.00 0.00 N ATOM 1460 CA SER A 120 -3.114 -12.910 -3.004 1.00 0.00 C ATOM 1461 C SER A 120 -2.840 -14.242 -3.710 1.00 0.00 C ATOM 1462 O SER A 120 -1.805 -14.412 -4.355 1.00 0.00 O ATOM 1463 CB SER A 120 -2.107 -11.854 -3.463 1.00 0.00 C ATOM 1464 OG SER A 120 -2.181 -10.697 -2.647 1.00 0.00 O ATOM 0 H SER A 120 -2.204 -12.644 -1.139 1.00 0.00 H new ATOM 0 HA SER A 120 -4.126 -12.606 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.099 -12.266 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.303 -11.585 -4.501 1.00 0.00 H new ATOM 0 HG SER A 120 -1.496 -10.746 -1.947 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.775 -15.178 -3.598 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.670 -16.458 -4.288 1.00 0.00 C ATOM 1472 C ARG A 121 -4.089 -16.288 -5.750 1.00 0.00 C ATOM 1473 O ARG A 121 -5.093 -16.838 -6.201 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.534 -17.519 -3.593 1.00 0.00 C ATOM 1475 CG ARG A 121 -4.442 -18.904 -4.224 1.00 0.00 C ATOM 1476 CD ARG A 121 -3.054 -19.507 -4.085 1.00 0.00 C ATOM 1477 NE ARG A 121 -2.786 -19.962 -2.723 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.788 -20.776 -2.398 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -0.940 -21.200 -3.328 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -1.642 -21.177 -1.147 1.00 0.00 N ATOM 0 H ARG A 121 -4.618 -15.074 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.635 -16.797 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.236 -17.587 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.574 -17.193 -3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.172 -19.564 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.704 -18.838 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.953 -20.346 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.307 -18.767 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.401 -19.635 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.054 -20.901 -4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.175 -21.825 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.296 -20.861 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.875 -21.802 -0.898 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.322 -15.485 -6.472 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.575 -15.232 -7.882 1.00 0.00 C ATOM 1495 C ASN A 122 -2.316 -14.713 -8.564 1.00 0.00 C ATOM 1496 O ASN A 122 -1.604 -13.870 -8.018 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.751 -14.251 -8.082 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.739 -13.029 -7.164 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.796 -12.514 -6.799 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -3.566 -12.542 -6.790 1.00 0.00 N ATOM 0 H ASN A 122 -2.510 -14.993 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.857 -16.178 -8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.746 -13.909 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.685 -14.792 -7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.524 -11.721 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.705 -12.987 -7.106 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.044 -15.216 -9.756 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.840 -14.844 -10.496 1.00 0.00 C ATOM 1509 C ASP A 123 -1.075 -13.565 -11.291 1.00 0.00 C ATOM 1510 O ASP A 123 -0.766 -13.489 -12.480 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.408 -15.971 -11.441 1.00 0.00 C ATOM 1512 CG ASP A 123 -0.193 -17.290 -10.727 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.895 -17.494 -10.153 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -1.117 -18.136 -10.745 1.00 0.00 O ATOM 0 H ASP A 123 -2.642 -15.887 -10.238 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.043 -14.672 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.166 -16.101 -12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.514 -15.682 -11.945 1.00 0.00 H new ATOM 1519 N MET A 124 -1.633 -12.566 -10.621 1.00 0.00 N ATOM 1520 CA MET A 124 -1.933 -11.281 -11.245 1.00 0.00 C ATOM 1521 C MET A 124 -1.833 -10.155 -10.221 1.00 0.00 C ATOM 1522 O MET A 124 -2.517 -9.135 -10.323 1.00 0.00 O ATOM 1523 CB MET A 124 -3.336 -11.294 -11.866 1.00 0.00 C ATOM 1524 CG MET A 124 -4.453 -11.531 -10.859 1.00 0.00 C ATOM 1525 SD MET A 124 -6.091 -11.424 -11.602 1.00 0.00 S ATOM 1526 CE MET A 124 -7.129 -11.762 -10.182 1.00 0.00 C ATOM 0 H MET A 124 -1.890 -12.621 -9.635 1.00 0.00 H new ATOM 0 HA MET A 124 -1.201 -11.110 -12.035 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.509 -10.343 -12.369 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.378 -12.071 -12.630 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.327 -12.515 -10.407 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.374 -10.799 -10.056 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.177 -11.731 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.894 -12.750 -9.786 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.949 -11.011 -9.413 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.977 -10.343 -9.230 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.824 -9.359 -8.168 1.00 0.00 C ATOM 1538 C CYS A 125 0.222 -8.319 -8.545 1.00 0.00 C ATOM 1539 O CYS A 125 1.230 -8.629 -9.185 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.442 -10.034 -6.846 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.209 -8.879 -5.456 1.00 0.00 S ATOM 0 H CYS A 125 -0.379 -11.164 -9.138 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.783 -8.859 -8.036 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.218 -10.752 -6.581 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.479 -10.599 -6.992 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.034 -7.083 -8.154 1.00 0.00 N ATOM 1547 CA HIS A 126 0.878 -5.985 -8.417 1.00 0.00 C ATOM 1548 C HIS A 126 1.256 -5.324 -7.100 1.00 0.00 C ATOM 1549 O HIS A 126 0.446 -5.265 -6.177 1.00 0.00 O ATOM 1550 CB HIS A 126 0.228 -4.950 -9.344 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.184 -5.489 -10.676 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.492 -5.492 -11.118 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.550 -6.031 -11.674 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.542 -6.013 -12.330 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.316 -6.346 -12.690 1.00 0.00 N ATOM 0 H HIS A 126 -0.877 -6.813 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 126 1.769 -6.376 -8.908 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.648 -4.534 -8.847 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.927 -4.128 -9.498 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.294 -5.146 -10.591 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.619 -6.187 -11.672 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.433 -6.144 -12.925 1.00 0.00 H new ATOM 1563 N SER A 127 2.479 -4.831 -7.010 1.00 0.00 N ATOM 1564 CA SER A 127 2.932 -4.154 -5.810 1.00 0.00 C ATOM 1565 C SER A 127 2.383 -2.733 -5.784 1.00 0.00 C ATOM 1566 O SER A 127 2.537 -1.984 -6.755 1.00 0.00 O ATOM 1567 CB SER A 127 4.461 -4.135 -5.763 1.00 0.00 C ATOM 1568 OG SER A 127 4.987 -5.445 -5.923 1.00 0.00 O ATOM 0 H SER A 127 3.175 -4.887 -7.754 1.00 0.00 H new ATOM 0 HA SER A 127 2.565 -4.691 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.845 -3.485 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.795 -3.718 -4.813 1.00 0.00 H new ATOM 0 HG SER A 127 5.966 -5.411 -5.892 1.00 0.00 H new ATOM 1574 N LEU A 128 1.714 -2.375 -4.696 1.00 0.00 N ATOM 1575 CA LEU A 128 1.131 -1.048 -4.568 1.00 0.00 C ATOM 1576 C LEU A 128 2.235 -0.002 -4.490 1.00 0.00 C ATOM 1577 O LEU A 128 2.997 0.040 -3.526 1.00 0.00 O ATOM 1578 CB LEU A 128 0.225 -0.974 -3.330 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.734 0.224 -3.271 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.904 -0.089 -2.352 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.015 1.475 -2.788 1.00 0.00 C ATOM 0 H LEU A 128 1.562 -2.984 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 128 0.519 -0.846 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.365 -1.889 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.857 -0.953 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.107 0.411 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.578 0.767 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.441 -0.959 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.533 -0.300 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.717 2.308 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.388 1.301 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.800 1.713 -3.472 1.00 0.00 H new ATOM 1593 N GLY A 129 2.320 0.818 -5.522 1.00 0.00 N ATOM 1594 CA GLY A 129 3.305 1.874 -5.556 1.00 0.00 C ATOM 1595 C GLY A 129 2.730 3.183 -5.076 1.00 0.00 C ATOM 1596 O GLY A 129 1.669 3.606 -5.543 1.00 0.00 O ATOM 0 H GLY A 129 1.718 0.770 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.156 1.599 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.679 1.991 -6.573 1.00 0.00 H new ATOM 1600 N LEU A 130 3.411 3.812 -4.135 1.00 0.00 N ATOM 1601 CA LEU A 130 2.979 5.090 -3.603 1.00 0.00 C ATOM 1602 C LEU A 130 4.072 6.133 -3.809 1.00 0.00 C ATOM 1603 O LEU A 130 5.156 6.025 -3.236 1.00 0.00 O ATOM 1604 CB LEU A 130 2.650 4.953 -2.114 1.00 0.00 C ATOM 1605 CG LEU A 130 2.079 6.204 -1.448 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.794 6.636 -2.134 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.832 5.950 0.030 1.00 0.00 C ATOM 0 H LEU A 130 4.272 3.454 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 130 2.081 5.412 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.935 4.139 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.558 4.663 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 130 2.807 7.009 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.403 7.528 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.997 6.856 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.059 5.834 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.425 6.850 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.122 5.131 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.771 5.686 0.516 1.00 0.00 H new ATOM 1619 N THR A 131 3.790 7.124 -4.641 1.00 0.00 N ATOM 1620 CA THR A 131 4.755 8.174 -4.939 1.00 0.00 C ATOM 1621 C THR A 131 4.442 9.436 -4.136 1.00 0.00 C ATOM 1622 O THR A 131 3.511 10.166 -4.462 1.00 0.00 O ATOM 1623 CB THR A 131 4.746 8.516 -6.443 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.901 7.317 -7.216 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.858 9.495 -6.794 1.00 0.00 C ATOM 0 H THR A 131 2.897 7.224 -5.124 1.00 0.00 H new ATOM 0 HA THR A 131 5.742 7.804 -4.662 1.00 0.00 H new ATOM 0 HB THR A 131 3.790 8.985 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.164 7.244 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.825 9.716 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.723 10.417 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.823 9.054 -6.545 1.00 0.00 H new ATOM 1633 N CYS A 132 5.216 9.688 -3.093 1.00 0.00 N ATOM 1634 CA CYS A 132 4.995 10.848 -2.235 1.00 0.00 C ATOM 1635 C CYS A 132 5.976 11.968 -2.569 1.00 0.00 C ATOM 1636 O CYS A 132 7.138 11.714 -2.879 1.00 0.00 O ATOM 1637 CB CYS A 132 5.148 10.445 -0.765 1.00 0.00 C ATOM 1638 SG CYS A 132 4.213 8.948 -0.313 1.00 0.00 S ATOM 0 H CYS A 132 6.006 9.105 -2.817 1.00 0.00 H new ATOM 0 HA CYS A 132 3.983 11.214 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.204 10.281 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.819 11.272 -0.135 1.00 0.00 H new ATOM 1643 N LEU A 133 5.496 13.207 -2.515 1.00 0.00 N ATOM 1644 CA LEU A 133 6.348 14.371 -2.732 1.00 0.00 C ATOM 1645 C LEU A 133 7.412 14.469 -1.649 1.00 0.00 C ATOM 1646 O LEU A 133 7.102 14.420 -0.460 1.00 0.00 O ATOM 1647 CB LEU A 133 5.518 15.655 -2.745 1.00 0.00 C ATOM 1648 CG LEU A 133 4.735 15.918 -4.033 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.744 17.053 -3.831 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.686 16.251 -5.174 1.00 0.00 C ATOM 0 H LEU A 133 4.520 13.431 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 133 6.834 14.250 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.815 15.621 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.184 16.499 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 133 4.183 15.014 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.196 17.227 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.044 16.788 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.281 17.960 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.113 16.435 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.261 17.142 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.366 15.415 -5.337 1.00 0.00 H new ATOM 1662 N GLU A 134 8.659 14.601 -2.065 1.00 0.00 N ATOM 1663 CA GLU A 134 9.767 14.742 -1.132 1.00 0.00 C ATOM 1664 C GLU A 134 9.780 16.158 -0.562 1.00 0.00 C ATOM 1665 O GLU A 134 10.127 17.094 -1.305 1.00 0.00 O ATOM 1666 CB GLU A 134 11.099 14.427 -1.829 1.00 0.00 C ATOM 1667 CG GLU A 134 12.314 14.500 -0.916 1.00 0.00 C ATOM 1668 CD GLU A 134 13.607 14.181 -1.638 1.00 0.00 C ATOM 1669 OE1 GLU A 134 14.048 15.000 -2.470 1.00 0.00 O ATOM 1670 OE2 GLU A 134 14.192 13.106 -1.383 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.431 16.331 0.625 1.00 0.00 O ATOM 0 H GLU A 134 8.932 14.614 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 134 9.637 14.033 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.043 13.428 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.237 15.124 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.380 15.499 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.184 13.803 -0.088 1.00 0.00 H new