USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 674 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 13 HIS : no HD1:sc= -1.97! C(o=-9.9!,f=-16!) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -7.89! C(o=-9.9!,f=-20!) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.17 K(o=0.82,f=-2.4) USER MOD Set 2.2: A 46 SER OG : rot -147:sc= -0.354! USER MOD Set 3.1: A 23 ASN : amide:sc= 0.136 K(o=0.49,f=-0.6) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -134:sc= 0.352 (180deg=-0.36) USER MOD Set 4.1: A 27 CYS SG : rot 130:sc= 0.363 USER MOD Set 4.2: A 37 CYS SG : rot 18:sc= 0.393 USER MOD Set 5.1: A 22 CYS SG : rot 180:sc= -0.638 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.29 K(o=-0.35,f=-1.2) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.193 (180deg=-1.7!) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0 (180deg=-0.236) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 16 SER OG : rot -49:sc= 1.26 USER MOD Single : A 17 GLN : amide:sc= -0.584 K(o=-0.58,f=-2.5!) USER MOD Single : A 20 THR OG1 : rot 7:sc= 1.33 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -65:sc= 0.0164 USER MOD Single : A 26 TYR OH : rot 22:sc= 0.733 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.628 (180deg=0.627) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.016 USER MOD Single : A 32 TYR OH : rot -96:sc= 0.409 USER MOD Single : A 33 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-5.2!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.17) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 41:sc= 0.527 USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 2.35 (180deg=1.74) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.942) USER MOD Single : A 60 GLN : amide:sc= -0.4 K(o=-0.4,f=-4.3!) USER MOD Single : A 62 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD Single : A 63 GLN : amide:sc= 0.763 K(o=0.76,f=-0.65) USER MOD Single : A 65 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.545 K(o=-0.54,f=-3.9!) USER MOD Single : A 72 GLN : amide:sc= 0.385 K(o=0.39,f=-2.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -5.88! C(o=-5.9!,f=-8.9!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= 0.965 (180deg=0.378) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.691 4.376 -1.489 1.00 0.00 N ATOM 2 CA MET A 1 10.269 4.841 -1.615 1.00 0.00 C ATOM 3 C MET A 1 9.965 6.175 -0.827 1.00 0.00 C ATOM 4 O MET A 1 9.358 7.103 -1.379 1.00 0.00 O ATOM 5 CB MET A 1 9.399 3.604 -1.296 1.00 0.00 C ATOM 6 CG MET A 1 9.342 2.532 -2.373 1.00 0.00 C ATOM 7 SD MET A 1 8.517 1.091 -1.702 1.00 0.00 S ATOM 8 CE MET A 1 8.576 -0.005 -3.147 1.00 0.00 C ATOM 0 H1 MET A 1 11.711 3.340 -1.404 1.00 0.00 H new ATOM 0 H2 MET A 1 12.227 4.665 -2.332 1.00 0.00 H new ATOM 0 H3 MET A 1 12.122 4.801 -0.643 1.00 0.00 H new ATOM 0 HA MET A 1 10.024 5.179 -2.622 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.772 3.149 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.383 3.942 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.806 2.902 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.348 2.273 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.724 -0.684 -3.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.539 0.592 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.501 -0.582 -3.129 1.00 0.00 H new ATOM 19 N ASP A 2 10.363 6.271 0.465 1.00 0.00 N ATOM 20 CA ASP A 2 10.202 7.554 1.220 1.00 0.00 C ATOM 21 C ASP A 2 10.933 8.877 0.677 1.00 0.00 C ATOM 22 O ASP A 2 10.314 9.938 0.912 1.00 0.00 O ATOM 23 CB ASP A 2 10.408 7.234 2.725 1.00 0.00 C ATOM 24 CG ASP A 2 9.616 8.067 3.718 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.811 9.303 3.726 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.832 7.484 4.533 1.00 0.00 O ATOM 0 H ASP A 2 10.784 5.510 0.997 1.00 0.00 H new ATOM 0 HA ASP A 2 9.186 7.903 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.158 6.185 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.467 7.349 2.955 1.00 0.00 H new ATOM 31 N PRO A 3 12.153 8.969 0.012 1.00 0.00 N ATOM 32 CA PRO A 3 12.783 10.262 -0.355 1.00 0.00 C ATOM 33 C PRO A 3 12.121 11.087 -1.496 1.00 0.00 C ATOM 34 O PRO A 3 12.514 12.217 -1.693 1.00 0.00 O ATOM 35 CB PRO A 3 14.258 9.824 -0.563 1.00 0.00 C ATOM 36 CG PRO A 3 14.147 8.380 -1.023 1.00 0.00 C ATOM 37 CD PRO A 3 12.977 7.802 -0.260 1.00 0.00 C ATOM 0 HA PRO A 3 12.660 11.030 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.758 10.444 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.834 9.907 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.981 8.322 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.064 7.829 -0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.440 7.058 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.298 7.312 0.659 1.00 0.00 H new ATOM 45 N VAL A 4 11.140 10.612 -2.257 1.00 0.00 N ATOM 46 CA VAL A 4 10.479 11.390 -3.364 1.00 0.00 C ATOM 47 C VAL A 4 9.486 12.530 -2.796 1.00 0.00 C ATOM 48 O VAL A 4 9.983 13.533 -2.304 1.00 0.00 O ATOM 49 CB VAL A 4 9.898 10.424 -4.465 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.473 11.282 -5.704 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.850 9.306 -4.999 1.00 0.00 C ATOM 0 H VAL A 4 10.760 9.672 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 4 11.229 11.973 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 4 9.080 9.908 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.068 10.629 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.713 12.003 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.342 11.812 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.329 8.713 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.733 9.763 -5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.153 8.662 -4.174 1.00 0.00 H new ATOM 61 N ASP A 5 8.148 12.398 -2.845 1.00 0.00 N ATOM 62 CA ASP A 5 7.229 13.329 -2.128 1.00 0.00 C ATOM 63 C ASP A 5 5.967 12.665 -1.373 1.00 0.00 C ATOM 64 O ASP A 5 5.815 13.100 -0.235 1.00 0.00 O ATOM 65 CB ASP A 5 6.919 14.715 -2.789 1.00 0.00 C ATOM 66 CG ASP A 5 6.155 14.827 -4.121 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.920 13.798 -4.771 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.764 15.967 -4.491 1.00 0.00 O ATOM 0 H ASP A 5 7.672 11.663 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 5 7.905 13.609 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.360 15.296 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.876 15.217 -2.931 1.00 0.00 H new ATOM 73 N PRO A 6 5.084 11.713 -1.788 1.00 0.00 N ATOM 74 CA PRO A 6 4.984 11.202 -3.204 1.00 0.00 C ATOM 75 C PRO A 6 3.602 11.534 -3.922 1.00 0.00 C ATOM 76 O PRO A 6 2.546 11.486 -3.270 1.00 0.00 O ATOM 77 CB PRO A 6 5.159 9.674 -2.946 1.00 0.00 C ATOM 78 CG PRO A 6 4.397 9.437 -1.644 1.00 0.00 C ATOM 79 CD PRO A 6 4.532 10.727 -0.807 1.00 0.00 C ATOM 0 HA PRO A 6 5.704 11.654 -3.886 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.749 9.080 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.210 9.402 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.349 9.214 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.807 8.582 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.571 11.051 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.200 10.588 0.043 1.00 0.00 H new ATOM 87 N ASN A 7 3.643 11.813 -5.232 1.00 0.00 N ATOM 88 CA ASN A 7 2.445 12.104 -6.083 1.00 0.00 C ATOM 89 C ASN A 7 1.622 10.852 -6.439 1.00 0.00 C ATOM 90 O ASN A 7 0.755 10.428 -5.679 1.00 0.00 O ATOM 91 CB ASN A 7 2.803 12.994 -7.279 1.00 0.00 C ATOM 92 CG ASN A 7 2.993 14.483 -6.911 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.058 15.239 -6.629 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.209 14.974 -6.937 1.00 0.00 N ATOM 0 H ASN A 7 4.518 11.847 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 7 1.759 12.691 -5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.720 12.622 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.017 12.912 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.366 15.960 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.998 14.370 -7.167 1.00 0.00 H new ATOM 101 N LEU A 8 1.925 10.100 -7.506 1.00 0.00 N ATOM 102 CA LEU A 8 1.582 8.656 -7.663 1.00 0.00 C ATOM 103 C LEU A 8 2.877 7.890 -8.073 1.00 0.00 C ATOM 104 O LEU A 8 3.353 8.088 -9.200 1.00 0.00 O ATOM 105 CB LEU A 8 0.367 8.423 -8.573 1.00 0.00 C ATOM 106 CG LEU A 8 -1.035 8.870 -8.038 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.082 8.740 -9.198 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.478 8.020 -6.815 1.00 0.00 C ATOM 0 H LEU A 8 2.427 10.476 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 8 1.241 8.245 -6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.548 8.941 -9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.316 7.358 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.970 9.906 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.064 9.048 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.784 9.377 -10.030 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.127 7.704 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.455 8.359 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.539 6.971 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.751 8.133 -6.011 1.00 0.00 H new ATOM 120 N GLU A 9 3.451 7.073 -7.166 1.00 0.00 N ATOM 121 CA GLU A 9 4.759 6.432 -7.396 1.00 0.00 C ATOM 122 C GLU A 9 4.766 4.966 -8.001 1.00 0.00 C ATOM 123 O GLU A 9 3.849 4.175 -7.781 1.00 0.00 O ATOM 124 CB GLU A 9 5.408 6.553 -5.964 1.00 0.00 C ATOM 125 CG GLU A 9 6.951 6.459 -5.933 1.00 0.00 C ATOM 126 CD GLU A 9 7.547 6.566 -4.578 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.361 7.592 -3.881 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.192 5.596 -4.145 1.00 0.00 O ATOM 0 H GLU A 9 3.027 6.842 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 9 5.313 6.918 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.109 7.505 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.999 5.767 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.253 5.510 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.363 7.249 -6.561 1.00 0.00 H new ATOM 135 N PRO A 10 5.811 4.505 -8.755 1.00 0.00 N ATOM 136 CA PRO A 10 5.942 3.075 -9.174 1.00 0.00 C ATOM 137 C PRO A 10 5.486 1.921 -8.159 1.00 0.00 C ATOM 138 O PRO A 10 4.801 0.992 -8.565 1.00 0.00 O ATOM 139 CB PRO A 10 7.418 3.041 -9.624 1.00 0.00 C ATOM 140 CG PRO A 10 7.609 4.481 -10.217 1.00 0.00 C ATOM 141 CD PRO A 10 6.819 5.441 -9.310 1.00 0.00 C ATOM 0 HA PRO A 10 5.218 2.810 -9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.095 2.849 -8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.600 2.265 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.664 4.752 -10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.243 4.529 -11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.442 5.889 -8.536 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.364 6.260 -9.867 1.00 0.00 H new ATOM 149 N TRP A 11 5.866 1.992 -6.885 1.00 0.00 N ATOM 150 CA TRP A 11 5.053 1.476 -5.765 1.00 0.00 C ATOM 151 C TRP A 11 5.284 2.475 -4.586 1.00 0.00 C ATOM 152 O TRP A 11 6.318 2.424 -3.940 1.00 0.00 O ATOM 153 CB TRP A 11 5.452 0.041 -5.325 1.00 0.00 C ATOM 154 CG TRP A 11 4.465 -0.635 -4.369 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.310 -1.350 -4.749 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.311 -0.355 -3.027 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.431 -1.531 -3.663 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.074 -0.904 -2.608 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.131 0.359 -2.116 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.652 -0.751 -1.269 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.695 0.492 -0.797 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.475 -0.057 -0.378 1.00 0.00 C ATOM 0 H TRP A 11 6.749 2.409 -6.590 1.00 0.00 H new ATOM 0 HA TRP A 11 4.009 1.405 -6.071 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.558 -0.580 -6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.430 0.082 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.123 -1.714 -5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.531 -2.011 -3.655 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.069 0.789 -2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.710 -1.163 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.308 1.027 -0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.166 0.058 0.650 1.00 0.00 H new ATOM 173 N ASN A 12 4.223 3.135 -4.096 1.00 0.00 N ATOM 174 CA ASN A 12 4.188 3.690 -2.699 1.00 0.00 C ATOM 175 C ASN A 12 2.716 3.953 -2.208 1.00 0.00 C ATOM 176 O ASN A 12 2.152 5.041 -2.466 1.00 0.00 O ATOM 177 CB ASN A 12 5.121 4.914 -2.610 1.00 0.00 C ATOM 178 CG ASN A 12 5.708 5.337 -1.254 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.628 4.695 -0.213 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.349 6.462 -1.200 1.00 0.00 N ATOM 0 H ASN A 12 3.372 3.306 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 12 4.572 2.949 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.959 4.732 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.573 5.769 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.758 6.774 -0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.445 7.035 -2.038 1.00 0.00 H new ATOM 187 N HIS A 13 2.101 2.989 -1.451 1.00 0.00 N ATOM 188 CA HIS A 13 0.707 3.155 -0.885 1.00 0.00 C ATOM 189 C HIS A 13 0.782 3.334 0.664 1.00 0.00 C ATOM 190 O HIS A 13 1.112 2.392 1.395 1.00 0.00 O ATOM 191 CB HIS A 13 -0.219 1.955 -1.349 1.00 0.00 C ATOM 192 CG HIS A 13 -1.657 2.088 -0.938 1.00 0.00 C ATOM 193 ND1 HIS A 13 -2.550 1.037 -0.747 1.00 0.00 N ATOM 194 CD2 HIS A 13 -2.311 3.311 -0.978 1.00 0.00 C ATOM 195 CE1 HIS A 13 -3.705 1.727 -0.679 1.00 0.00 C ATOM 196 NE2 HIS A 13 -3.652 3.080 -0.810 1.00 0.00 N ATOM 0 H HIS A 13 2.537 2.097 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 13 0.244 4.060 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.170 1.873 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.179 1.026 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.846 4.276 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.646 1.220 -0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.418 3.754 -0.789 1.00 0.00 H new ATOM 204 N PRO A 14 0.445 4.527 1.248 1.00 0.00 N ATOM 205 CA PRO A 14 0.385 4.718 2.734 1.00 0.00 C ATOM 206 C PRO A 14 -0.686 3.911 3.525 1.00 0.00 C ATOM 207 O PRO A 14 -0.376 3.335 4.585 1.00 0.00 O ATOM 208 CB PRO A 14 0.199 6.268 2.865 1.00 0.00 C ATOM 209 CG PRO A 14 0.885 6.842 1.604 1.00 0.00 C ATOM 210 CD PRO A 14 0.586 5.807 0.518 1.00 0.00 C ATOM 0 HA PRO A 14 1.283 4.315 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.856 6.540 2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.660 6.648 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.485 7.822 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.958 6.965 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.326 6.055 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.391 5.758 -0.215 1.00 0.00 H new ATOM 218 N GLY A 15 -1.970 3.959 3.098 1.00 0.00 N ATOM 219 CA GLY A 15 -3.088 3.319 3.902 1.00 0.00 C ATOM 220 C GLY A 15 -4.367 2.954 3.122 1.00 0.00 C ATOM 221 O GLY A 15 -4.306 2.108 2.236 1.00 0.00 O ATOM 0 H GLY A 15 -2.271 4.412 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.700 2.412 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.362 3.999 4.709 1.00 0.00 H new ATOM 225 N SER A 16 -5.532 3.596 3.439 1.00 0.00 N ATOM 226 CA SER A 16 -6.752 3.668 2.553 1.00 0.00 C ATOM 227 C SER A 16 -7.725 4.839 3.053 1.00 0.00 C ATOM 228 O SER A 16 -7.380 6.011 2.825 1.00 0.00 O ATOM 229 CB SER A 16 -7.433 2.296 2.157 1.00 0.00 C ATOM 230 OG SER A 16 -8.009 1.691 3.340 1.00 0.00 O ATOM 0 H SER A 16 -5.658 4.085 4.325 1.00 0.00 H new ATOM 0 HA SER A 16 -6.401 3.950 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.206 2.463 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.697 1.626 1.713 1.00 0.00 H new ATOM 0 HG SER A 16 -7.344 1.682 4.060 1.00 0.00 H new ATOM 236 N GLN A 17 -8.911 4.485 3.553 1.00 0.00 N ATOM 237 CA GLN A 17 -10.104 5.394 3.610 1.00 0.00 C ATOM 238 C GLN A 17 -10.452 5.887 5.073 1.00 0.00 C ATOM 239 O GLN A 17 -10.025 5.221 6.041 1.00 0.00 O ATOM 240 CB GLN A 17 -11.216 4.502 2.937 1.00 0.00 C ATOM 241 CG GLN A 17 -11.096 4.470 1.369 1.00 0.00 C ATOM 242 CD GLN A 17 -11.593 5.718 0.603 1.00 0.00 C ATOM 243 OE1 GLN A 17 -12.590 6.366 0.924 1.00 0.00 O ATOM 244 NE2 GLN A 17 -10.922 6.125 -0.459 1.00 0.00 N ATOM 0 H GLN A 17 -9.092 3.558 3.937 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.959 6.347 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.145 3.486 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.199 4.882 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.049 4.309 1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.650 3.605 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.090 5.619 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.236 6.946 -0.977 1.00 0.00 H new ATOM 253 N PRO A 18 -11.239 6.971 5.276 1.00 0.00 N ATOM 254 CA PRO A 18 -12.005 7.689 4.245 1.00 0.00 C ATOM 255 C PRO A 18 -11.171 8.771 3.484 1.00 0.00 C ATOM 256 O PRO A 18 -10.712 9.769 4.057 1.00 0.00 O ATOM 257 CB PRO A 18 -13.171 8.307 5.012 1.00 0.00 C ATOM 258 CG PRO A 18 -12.572 8.639 6.393 1.00 0.00 C ATOM 259 CD PRO A 18 -11.614 7.481 6.593 1.00 0.00 C ATOM 0 HA PRO A 18 -12.326 7.015 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.547 9.201 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.007 7.613 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.059 9.601 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.334 8.680 7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.730 7.808 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.084 6.696 7.186 1.00 0.00 H new ATOM 267 N ARG A 19 -10.962 8.555 2.171 1.00 0.00 N ATOM 268 CA ARG A 19 -10.116 9.451 1.274 1.00 0.00 C ATOM 269 C ARG A 19 -8.936 10.237 1.930 1.00 0.00 C ATOM 270 O ARG A 19 -8.848 11.457 1.788 1.00 0.00 O ATOM 271 CB ARG A 19 -11.087 10.316 0.312 1.00 0.00 C ATOM 272 CG ARG A 19 -10.549 10.506 -1.121 1.00 0.00 C ATOM 273 CD ARG A 19 -11.513 11.280 -2.041 1.00 0.00 C ATOM 274 NE ARG A 19 -11.344 10.947 -3.477 1.00 0.00 N ATOM 275 CZ ARG A 19 -12.028 11.479 -4.526 1.00 0.00 C ATOM 276 NH1 ARG A 19 -12.972 12.360 -4.413 1.00 0.00 N ATOM 277 NH2 ARG A 19 -11.802 11.014 -5.701 1.00 0.00 N ATOM 0 H ARG A 19 -11.364 7.759 1.676 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.519 8.780 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.060 9.827 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.246 11.296 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.598 11.036 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.349 9.528 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.539 11.066 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.357 12.350 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.640 10.244 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.246 12.699 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.441 12.714 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.123 10.264 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.301 11.395 -6.505 1.00 0.00 H new ATOM 291 N THR A 20 -8.017 9.546 2.645 1.00 0.00 N ATOM 292 CA THR A 20 -7.199 10.227 3.718 1.00 0.00 C ATOM 293 C THR A 20 -5.775 10.711 3.217 1.00 0.00 C ATOM 294 O THR A 20 -5.464 11.885 3.358 1.00 0.00 O ATOM 295 CB THR A 20 -7.223 9.375 5.043 1.00 0.00 C ATOM 296 OG1 THR A 20 -8.570 9.179 5.550 1.00 0.00 O ATOM 297 CG2 THR A 20 -6.546 10.098 6.215 1.00 0.00 C ATOM 0 H THR A 20 -7.816 8.554 2.518 1.00 0.00 H new ATOM 0 HA THR A 20 -7.672 11.175 3.974 1.00 0.00 H new ATOM 0 HB THR A 20 -6.726 8.449 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.218 9.523 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.589 9.469 7.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.505 10.301 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.062 11.038 6.410 1.00 0.00 H new ATOM 305 N PRO A 21 -4.848 9.916 2.632 1.00 0.00 N ATOM 306 CA PRO A 21 -4.840 8.421 2.700 1.00 0.00 C ATOM 307 C PRO A 21 -4.145 7.636 3.876 1.00 0.00 C ATOM 308 O PRO A 21 -4.398 6.451 4.062 1.00 0.00 O ATOM 309 CB PRO A 21 -4.154 8.090 1.368 1.00 0.00 C ATOM 310 CG PRO A 21 -3.241 9.258 1.000 1.00 0.00 C ATOM 311 CD PRO A 21 -4.024 10.450 1.535 1.00 0.00 C ATOM 0 HA PRO A 21 -5.861 8.091 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.577 7.169 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.897 7.927 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.260 9.172 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.078 9.326 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.354 11.232 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.645 10.893 0.757 1.00 0.00 H new ATOM 319 N CYS A 22 -3.188 8.239 4.583 1.00 0.00 N ATOM 320 CA CYS A 22 -2.377 7.548 5.624 1.00 0.00 C ATOM 321 C CYS A 22 -3.175 6.821 6.758 1.00 0.00 C ATOM 322 O CYS A 22 -2.904 5.637 6.982 1.00 0.00 O ATOM 323 CB CYS A 22 -1.275 8.522 6.136 1.00 0.00 C ATOM 324 SG CYS A 22 0.009 7.736 7.156 1.00 0.00 S ATOM 0 H CYS A 22 -2.942 9.221 4.461 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.903 6.694 5.140 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.800 8.997 5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.748 9.314 6.716 1.00 0.00 H new ATOM 0 HG CYS A 22 0.876 8.631 7.528 1.00 0.00 H new ATOM 330 N ASN A 23 -4.125 7.530 7.445 1.00 0.00 N ATOM 331 CA ASN A 23 -4.687 7.037 8.753 1.00 0.00 C ATOM 332 C ASN A 23 -3.642 7.037 9.947 1.00 0.00 C ATOM 333 O ASN A 23 -2.476 7.248 9.714 1.00 0.00 O ATOM 334 CB ASN A 23 -5.497 5.717 8.650 1.00 0.00 C ATOM 335 CG ASN A 23 -6.819 5.777 7.847 1.00 0.00 C ATOM 336 OD1 ASN A 23 -7.908 5.800 8.400 1.00 0.00 O ATOM 337 ND2 ASN A 23 -6.794 5.714 6.538 1.00 0.00 N ATOM 0 H ASN A 23 -4.511 8.420 7.129 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.425 7.795 9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.857 4.959 8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.727 5.378 9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.667 5.686 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.901 5.693 6.045 1.00 0.00 H new ATOM 344 N LYS A 24 -4.031 6.774 11.194 1.00 0.00 N ATOM 345 CA LYS A 24 -3.071 6.284 12.249 1.00 0.00 C ATOM 346 C LYS A 24 -2.597 4.795 12.037 1.00 0.00 C ATOM 347 O LYS A 24 -2.094 4.201 13.013 1.00 0.00 O ATOM 348 CB LYS A 24 -3.705 6.646 13.613 1.00 0.00 C ATOM 349 CG LYS A 24 -2.684 6.762 14.778 1.00 0.00 C ATOM 350 CD LYS A 24 -3.285 7.407 16.052 1.00 0.00 C ATOM 351 CE LYS A 24 -2.257 7.636 17.168 1.00 0.00 C ATOM 352 NZ LYS A 24 -2.858 8.391 18.326 1.00 0.00 N ATOM 0 H LYS A 24 -4.991 6.883 11.522 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.104 6.784 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.236 7.593 13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.447 5.889 13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.308 5.769 15.024 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.830 7.353 14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.739 8.362 15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.083 6.769 16.430 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.877 6.676 17.516 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.406 8.191 16.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.137 8.529 19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.199 9.317 17.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.654 7.849 18.718 1.00 0.00 H new ATOM 366 N CYS A 25 -2.762 4.142 10.846 1.00 0.00 N ATOM 367 CA CYS A 25 -2.383 2.710 10.598 1.00 0.00 C ATOM 368 C CYS A 25 -2.347 2.384 9.076 1.00 0.00 C ATOM 369 O CYS A 25 -3.223 2.705 8.257 1.00 0.00 O ATOM 370 CB CYS A 25 -3.471 1.839 11.284 1.00 0.00 C ATOM 371 SG CYS A 25 -3.053 0.065 11.047 1.00 0.00 S ATOM 0 H CYS A 25 -3.164 4.595 10.025 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.387 2.514 10.995 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.527 2.074 12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.451 2.055 10.858 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.122 -0.232 9.783 1.00 0.00 H new ATOM 377 N TYR A 26 -1.405 1.464 8.681 1.00 0.00 N ATOM 378 CA TYR A 26 -1.323 0.854 7.295 1.00 0.00 C ATOM 379 C TYR A 26 -2.638 0.078 6.796 1.00 0.00 C ATOM 380 O TYR A 26 -3.270 -0.604 7.598 1.00 0.00 O ATOM 381 CB TYR A 26 -0.134 -0.151 7.268 1.00 0.00 C ATOM 382 CG TYR A 26 1.276 0.451 7.296 1.00 0.00 C ATOM 383 CD1 TYR A 26 1.903 0.855 6.113 1.00 0.00 C ATOM 384 CD2 TYR A 26 1.954 0.575 8.513 1.00 0.00 C ATOM 385 CE1 TYR A 26 3.191 1.383 6.151 1.00 0.00 C ATOM 386 CE2 TYR A 26 3.241 1.102 8.547 1.00 0.00 C ATOM 387 CZ TYR A 26 3.859 1.506 7.366 1.00 0.00 C ATOM 388 OH TYR A 26 5.121 2.027 7.399 1.00 0.00 O ATOM 0 H TYR A 26 -0.679 1.121 9.310 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.196 1.697 6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.235 -0.821 8.122 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.225 -0.762 6.370 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.388 0.757 5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.477 0.261 9.429 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.672 1.697 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.761 1.198 9.489 1.00 0.00 H new ATOM 0 HH TYR A 26 5.275 2.563 6.593 1.00 0.00 H new ATOM 398 N CYS A 27 -3.049 0.208 5.539 1.00 0.00 N ATOM 399 CA CYS A 27 -4.219 -0.460 4.957 1.00 0.00 C ATOM 400 C CYS A 27 -5.619 -0.055 5.530 1.00 0.00 C ATOM 401 O CYS A 27 -6.265 0.718 4.826 1.00 0.00 O ATOM 402 CB CYS A 27 -3.921 -1.939 4.611 1.00 0.00 C ATOM 403 SG CYS A 27 -5.175 -2.620 3.481 1.00 0.00 S ATOM 0 H CYS A 27 -2.562 0.803 4.869 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.393 -0.020 3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.935 -2.016 4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.894 -2.530 5.526 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.586 -3.198 2.477 1.00 0.00 H new ATOM 409 N LYS A 28 -6.035 -0.417 6.771 1.00 0.00 N ATOM 410 CA LYS A 28 -7.213 0.210 7.500 1.00 0.00 C ATOM 411 C LYS A 28 -8.579 0.440 6.725 1.00 0.00 C ATOM 412 O LYS A 28 -8.790 1.489 6.090 1.00 0.00 O ATOM 413 CB LYS A 28 -6.725 1.505 8.247 1.00 0.00 C ATOM 414 CG LYS A 28 -7.231 1.699 9.698 1.00 0.00 C ATOM 415 CD LYS A 28 -8.725 1.875 10.000 1.00 0.00 C ATOM 416 CE LYS A 28 -9.428 3.194 9.691 1.00 0.00 C ATOM 417 NZ LYS A 28 -9.677 3.311 8.247 1.00 0.00 N ATOM 0 H LYS A 28 -5.575 -1.150 7.311 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.528 -0.571 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.635 1.499 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.030 2.372 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.889 0.838 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.720 2.574 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.257 1.093 9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.864 1.678 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.371 3.248 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.815 4.029 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.402 4.260 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.118 2.596 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.688 3.160 8.056 1.00 0.00 H new ATOM 431 N LYS A 29 -9.559 -0.463 6.882 1.00 0.00 N ATOM 432 CA LYS A 29 -10.909 -0.321 6.264 1.00 0.00 C ATOM 433 C LYS A 29 -11.826 0.819 6.916 1.00 0.00 C ATOM 434 O LYS A 29 -11.825 1.028 8.131 1.00 0.00 O ATOM 435 CB LYS A 29 -11.533 -1.751 6.391 1.00 0.00 C ATOM 436 CG LYS A 29 -12.845 -1.954 5.614 1.00 0.00 C ATOM 437 CD LYS A 29 -14.156 -1.687 6.360 1.00 0.00 C ATOM 438 CE LYS A 29 -15.413 -1.827 5.496 1.00 0.00 C ATOM 439 NZ LYS A 29 -16.606 -1.423 6.289 1.00 0.00 N ATOM 0 H LYS A 29 -9.450 -1.312 7.436 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.833 0.019 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.804 -2.482 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.715 -1.960 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.820 -1.308 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.867 -2.982 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.229 -2.377 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.125 -0.680 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.327 -1.204 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.521 -2.857 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.462 -1.534 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.680 -2.024 7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.510 -0.429 6.578 1.00 0.00 H new ATOM 453 N CYS A 30 -12.567 1.583 6.115 1.00 0.00 N ATOM 454 CA CYS A 30 -13.647 2.438 6.656 1.00 0.00 C ATOM 455 C CYS A 30 -15.064 1.999 6.088 1.00 0.00 C ATOM 456 O CYS A 30 -15.831 1.397 6.844 1.00 0.00 O ATOM 457 CB CYS A 30 -13.255 3.926 6.598 1.00 0.00 C ATOM 458 SG CYS A 30 -14.717 4.949 7.074 1.00 0.00 S ATOM 0 H CYS A 30 -12.450 1.635 5.103 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.777 2.280 7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.422 4.123 7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -12.922 4.189 5.594 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.398 6.208 7.031 1.00 0.00 H new ATOM 464 N CYS A 31 -15.528 2.232 4.836 1.00 0.00 N ATOM 465 CA CYS A 31 -14.772 2.792 3.661 1.00 0.00 C ATOM 466 C CYS A 31 -14.016 1.665 2.807 1.00 0.00 C ATOM 467 O CYS A 31 -13.820 0.532 3.276 1.00 0.00 O ATOM 468 CB CYS A 31 -15.826 3.584 2.814 1.00 0.00 C ATOM 469 SG CYS A 31 -16.969 2.371 1.923 1.00 0.00 S ATOM 0 H CYS A 31 -16.497 2.026 4.592 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.966 3.445 3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.409 4.239 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.320 4.221 2.089 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.843 3.032 1.224 1.00 0.00 H new ATOM 475 N TYR A 32 -13.568 1.982 1.581 1.00 0.00 N ATOM 476 CA TYR A 32 -13.061 0.987 0.605 1.00 0.00 C ATOM 477 C TYR A 32 -11.595 0.464 0.910 1.00 0.00 C ATOM 478 O TYR A 32 -10.583 1.207 0.884 1.00 0.00 O ATOM 479 CB TYR A 32 -13.057 1.628 -0.814 1.00 0.00 C ATOM 480 CG TYR A 32 -12.614 0.730 -1.974 1.00 0.00 C ATOM 481 CD1 TYR A 32 -11.256 0.516 -2.233 1.00 0.00 C ATOM 482 CD2 TYR A 32 -13.574 0.000 -2.682 1.00 0.00 C ATOM 483 CE1 TYR A 32 -10.866 -0.423 -3.184 1.00 0.00 C ATOM 484 CE2 TYR A 32 -13.182 -0.937 -3.633 1.00 0.00 C ATOM 485 CZ TYR A 32 -11.828 -1.148 -3.883 1.00 0.00 C ATOM 486 OH TYR A 32 -11.441 -2.070 -4.814 1.00 0.00 O ATOM 0 H TYR A 32 -13.545 2.940 1.231 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.728 0.128 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.063 1.988 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.405 2.501 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.509 1.080 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -14.624 0.164 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.817 -0.589 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.926 -1.500 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.463 -1.664 -5.706 1.00 0.00 H new ATOM 496 N HIS A 33 -11.503 -0.878 1.104 1.00 0.00 N ATOM 497 CA HIS A 33 -10.479 -1.609 0.338 1.00 0.00 C ATOM 498 C HIS A 33 -10.930 -3.107 0.310 1.00 0.00 C ATOM 499 O HIS A 33 -10.909 -3.829 1.304 1.00 0.00 O ATOM 500 CB HIS A 33 -9.057 -1.489 0.912 1.00 0.00 C ATOM 501 CG HIS A 33 -8.030 -2.133 0.028 1.00 0.00 C ATOM 502 ND1 HIS A 33 -7.711 -3.488 0.002 1.00 0.00 N ATOM 503 CD2 HIS A 33 -7.619 -1.492 -1.133 1.00 0.00 C ATOM 504 CE1 HIS A 33 -7.122 -3.563 -1.206 1.00 0.00 C ATOM 505 NE2 HIS A 33 -7.024 -2.424 -1.943 1.00 0.00 N ATOM 0 H HIS A 33 -12.080 -1.434 1.735 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.412 -1.173 -0.659 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.809 -0.436 1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.026 -1.952 1.898 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.876 -4.215 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.746 -0.443 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.738 -4.501 -1.579 1.00 0.00 H new ATOM 513 N CYS A 34 -11.317 -3.619 -0.867 1.00 0.00 N ATOM 514 CA CYS A 34 -11.602 -5.085 -1.101 1.00 0.00 C ATOM 515 C CYS A 34 -10.328 -6.021 -0.932 1.00 0.00 C ATOM 516 O CYS A 34 -9.403 -5.927 -1.737 1.00 0.00 O ATOM 517 CB CYS A 34 -12.300 -5.198 -2.495 1.00 0.00 C ATOM 518 SG CYS A 34 -12.720 -6.918 -2.892 1.00 0.00 S ATOM 0 H CYS A 34 -11.448 -3.046 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.269 -5.464 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -13.205 -4.591 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.643 -4.796 -3.266 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.299 -6.966 -4.055 1.00 0.00 H new ATOM 524 N GLN A 35 -10.355 -6.942 0.061 1.00 0.00 N ATOM 525 CA GLN A 35 -9.517 -8.188 0.133 1.00 0.00 C ATOM 526 C GLN A 35 -7.951 -7.948 0.351 1.00 0.00 C ATOM 527 O GLN A 35 -7.496 -7.950 1.501 1.00 0.00 O ATOM 528 CB GLN A 35 -9.942 -9.181 -0.988 1.00 0.00 C ATOM 529 CG GLN A 35 -9.516 -10.657 -0.786 1.00 0.00 C ATOM 530 CD GLN A 35 -10.254 -11.380 0.388 1.00 0.00 C ATOM 531 OE1 GLN A 35 -9.919 -11.236 1.566 1.00 0.00 O ATOM 532 NE2 GLN A 35 -11.271 -12.196 0.134 1.00 0.00 N ATOM 0 H GLN A 35 -10.976 -6.846 0.864 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.738 -8.695 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.027 -9.147 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.527 -8.830 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.699 -11.206 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.442 -10.692 -0.602 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.579 -12.343 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.743 -12.676 0.900 1.00 0.00 H new ATOM 541 N MET A 36 -7.089 -7.798 -0.684 1.00 0.00 N ATOM 542 CA MET A 36 -5.589 -7.946 -0.630 1.00 0.00 C ATOM 543 C MET A 36 -4.916 -6.850 0.269 1.00 0.00 C ATOM 544 O MET A 36 -4.769 -5.683 -0.070 1.00 0.00 O ATOM 545 CB MET A 36 -5.076 -9.418 -0.559 1.00 0.00 C ATOM 546 CG MET A 36 -5.379 -10.274 -1.806 1.00 0.00 C ATOM 547 SD MET A 36 -4.793 -11.976 -1.585 1.00 0.00 S ATOM 548 CE MET A 36 -4.933 -12.407 -3.289 1.00 0.00 C ATOM 0 H MET A 36 -7.418 -7.562 -1.620 1.00 0.00 H new ATOM 0 HA MET A 36 -5.189 -7.698 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.998 -9.404 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.521 -9.900 0.311 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.452 -10.277 -1.997 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.901 -9.832 -2.680 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.622 -13.442 -3.429 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.969 -12.293 -3.609 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.295 -11.753 -3.883 1.00 0.00 H new ATOM 558 N CYS A 37 -4.478 -7.244 1.453 1.00 0.00 N ATOM 559 CA CYS A 37 -4.015 -6.289 2.505 1.00 0.00 C ATOM 560 C CYS A 37 -2.616 -5.619 2.286 1.00 0.00 C ATOM 561 O CYS A 37 -2.612 -4.508 1.777 1.00 0.00 O ATOM 562 CB CYS A 37 -4.222 -7.035 3.883 1.00 0.00 C ATOM 563 SG CYS A 37 -4.362 -5.839 5.251 1.00 0.00 S ATOM 0 H CYS A 37 -4.425 -8.223 1.733 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.616 -5.381 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.121 -7.649 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.385 -7.708 4.067 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.643 -4.663 4.773 1.00 0.00 H new ATOM 569 N PHE A 38 -1.452 -6.203 2.641 1.00 0.00 N ATOM 570 CA PHE A 38 -0.149 -5.762 2.076 1.00 0.00 C ATOM 571 C PHE A 38 0.769 -6.983 1.995 1.00 0.00 C ATOM 572 O PHE A 38 1.463 -7.324 2.963 1.00 0.00 O ATOM 573 CB PHE A 38 0.487 -4.589 2.916 1.00 0.00 C ATOM 574 CG PHE A 38 0.050 -3.142 2.657 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.100 -2.652 1.351 1.00 0.00 C ATOM 576 CD2 PHE A 38 -0.060 -2.215 3.709 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.340 -1.288 1.118 1.00 0.00 C ATOM 578 CE2 PHE A 38 -0.377 -0.896 3.474 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.475 -0.404 2.182 1.00 0.00 C ATOM 0 H PHE A 38 -1.382 -6.972 3.308 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.297 -5.354 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.297 -4.803 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.566 -4.634 2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.030 -3.332 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.108 -2.545 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.420 -0.923 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.552 -0.234 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.653 0.646 2.005 1.00 0.00 H new ATOM 589 N ILE A 39 0.783 -7.674 0.838 1.00 0.00 N ATOM 590 CA ILE A 39 1.746 -8.755 0.502 1.00 0.00 C ATOM 591 C ILE A 39 3.073 -8.216 -0.124 1.00 0.00 C ATOM 592 O ILE A 39 3.077 -7.732 -1.263 1.00 0.00 O ATOM 593 CB ILE A 39 1.047 -9.912 -0.326 1.00 0.00 C ATOM 594 CG1 ILE A 39 -0.090 -9.548 -1.329 1.00 0.00 C ATOM 595 CG2 ILE A 39 0.523 -10.991 0.695 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.325 -8.655 -2.521 1.00 0.00 C ATOM 0 H ILE A 39 0.112 -7.496 0.091 1.00 0.00 H new ATOM 0 HA ILE A 39 2.068 -9.214 1.437 1.00 0.00 H new ATOM 0 HB ILE A 39 1.833 -10.264 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.512 -10.473 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.885 -9.043 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.036 -11.801 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.362 -11.390 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.192 -10.530 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.543 -8.465 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.716 -7.709 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.095 -9.161 -3.104 1.00 0.00 H new ATOM 608 N THR A 40 4.262 -8.296 0.569 1.00 0.00 N ATOM 609 CA THR A 40 5.419 -7.360 0.345 1.00 0.00 C ATOM 610 C THR A 40 6.307 -7.870 -0.831 1.00 0.00 C ATOM 611 O THR A 40 7.294 -8.605 -0.642 1.00 0.00 O ATOM 612 CB THR A 40 6.236 -7.104 1.667 1.00 0.00 C ATOM 613 OG1 THR A 40 6.876 -8.301 2.119 1.00 0.00 O ATOM 614 CG2 THR A 40 5.417 -6.458 2.836 1.00 0.00 C ATOM 0 H THR A 40 4.441 -8.999 1.286 1.00 0.00 H new ATOM 0 HA THR A 40 5.024 -6.386 0.055 1.00 0.00 H new ATOM 0 HB THR A 40 6.985 -6.364 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.238 -8.789 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.065 -6.321 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.028 -5.491 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.587 -7.112 3.104 1.00 0.00 H new ATOM 622 N LYS A 41 5.947 -7.473 -2.088 1.00 0.00 N ATOM 623 CA LYS A 41 6.690 -7.825 -3.345 1.00 0.00 C ATOM 624 C LYS A 41 7.310 -6.463 -3.907 1.00 0.00 C ATOM 625 O LYS A 41 6.716 -5.807 -4.757 1.00 0.00 O ATOM 626 CB LYS A 41 5.781 -8.664 -4.332 1.00 0.00 C ATOM 627 CG LYS A 41 4.239 -8.430 -4.468 1.00 0.00 C ATOM 628 CD LYS A 41 3.871 -7.039 -5.084 1.00 0.00 C ATOM 629 CE LYS A 41 2.350 -6.773 -4.877 1.00 0.00 C ATOM 630 NZ LYS A 41 2.000 -5.467 -5.469 1.00 0.00 N ATOM 0 H LYS A 41 5.125 -6.894 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 41 7.524 -8.506 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.204 -8.536 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.914 -9.712 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.813 -9.218 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.778 -8.516 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.458 -6.252 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.114 -7.023 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.764 -7.565 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.109 -6.780 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.218 -5.041 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.827 -4.837 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.708 -5.601 -6.458 1.00 0.00 H new ATOM 644 N GLY A 42 8.503 -6.093 -3.432 1.00 0.00 N ATOM 645 CA GLY A 42 9.242 -4.887 -3.829 1.00 0.00 C ATOM 646 C GLY A 42 9.810 -4.120 -2.652 1.00 0.00 C ATOM 647 O GLY A 42 9.223 -3.187 -2.116 1.00 0.00 O ATOM 0 H GLY A 42 9.001 -6.645 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.056 -5.171 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.579 -4.233 -4.395 1.00 0.00 H new ATOM 651 N LEU A 43 10.983 -4.623 -2.198 1.00 0.00 N ATOM 652 CA LEU A 43 11.578 -4.117 -0.924 1.00 0.00 C ATOM 653 C LEU A 43 12.352 -2.772 -1.008 1.00 0.00 C ATOM 654 O LEU A 43 13.555 -2.715 -0.725 1.00 0.00 O ATOM 655 CB LEU A 43 12.431 -5.312 -0.377 1.00 0.00 C ATOM 656 CG LEU A 43 11.702 -6.642 0.009 1.00 0.00 C ATOM 657 CD1 LEU A 43 12.764 -7.685 0.431 1.00 0.00 C ATOM 658 CD2 LEU A 43 10.627 -6.534 1.133 1.00 0.00 C ATOM 0 H LEU A 43 11.523 -5.350 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 43 10.784 -3.826 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.182 -5.553 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.965 -4.960 0.505 1.00 0.00 H new ATOM 0 HG LEU A 43 11.149 -6.935 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.270 -8.618 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.447 -7.865 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.324 -7.308 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.190 -7.516 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.093 -6.169 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.845 -5.841 0.823 1.00 0.00 H new ATOM 670 N GLY A 44 11.634 -1.634 -1.333 1.00 0.00 N ATOM 671 CA GLY A 44 12.297 -0.291 -1.486 1.00 0.00 C ATOM 672 C GLY A 44 12.495 0.481 -0.181 1.00 0.00 C ATOM 673 O GLY A 44 13.640 0.497 0.295 1.00 0.00 O ATOM 0 H GLY A 44 10.626 -1.624 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.269 -0.434 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.699 0.318 -2.164 1.00 0.00 H new ATOM 677 N ILE A 45 11.464 1.113 0.339 1.00 0.00 N ATOM 678 CA ILE A 45 11.389 1.466 1.805 1.00 0.00 C ATOM 679 C ILE A 45 10.015 0.952 2.405 1.00 0.00 C ATOM 680 O ILE A 45 10.020 0.041 3.238 1.00 0.00 O ATOM 681 CB ILE A 45 11.881 2.937 2.164 1.00 0.00 C ATOM 682 CG1 ILE A 45 13.427 3.181 2.055 1.00 0.00 C ATOM 683 CG2 ILE A 45 11.479 3.345 3.602 1.00 0.00 C ATOM 684 CD1 ILE A 45 13.854 4.666 2.036 1.00 0.00 C ATOM 0 H ILE A 45 10.651 1.407 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 45 12.152 0.917 2.356 1.00 0.00 H new ATOM 0 HB ILE A 45 11.383 3.541 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.917 2.688 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.792 2.702 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.834 4.355 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.394 3.315 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.926 2.652 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.939 4.732 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.398 5.165 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.526 5.151 2.955 1.00 0.00 H new ATOM 696 N SER A 46 8.897 1.580 2.038 1.00 0.00 N ATOM 697 CA SER A 46 7.539 1.326 2.632 1.00 0.00 C ATOM 698 C SER A 46 7.122 -0.209 2.743 1.00 0.00 C ATOM 699 O SER A 46 6.838 -0.661 3.856 1.00 0.00 O ATOM 700 CB SER A 46 6.515 2.274 1.990 1.00 0.00 C ATOM 701 OG SER A 46 6.622 2.288 0.556 1.00 0.00 O ATOM 0 H SER A 46 8.886 2.295 1.310 1.00 0.00 H new ATOM 0 HA SER A 46 7.575 1.578 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.509 1.968 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.663 3.283 2.375 1.00 0.00 H new ATOM 0 HG SER A 46 6.397 3.181 0.220 1.00 0.00 H new ATOM 707 N TYR A 47 7.114 -0.999 1.633 1.00 0.00 N ATOM 708 CA TYR A 47 7.342 -2.444 1.715 1.00 0.00 C ATOM 709 C TYR A 47 8.821 -2.692 2.181 1.00 0.00 C ATOM 710 O TYR A 47 9.781 -2.313 1.483 1.00 0.00 O ATOM 711 CB TYR A 47 7.171 -3.077 0.303 1.00 0.00 C ATOM 712 CG TYR A 47 5.746 -3.465 -0.109 1.00 0.00 C ATOM 713 CD1 TYR A 47 4.724 -3.541 0.842 1.00 0.00 C ATOM 714 CD2 TYR A 47 5.444 -3.643 -1.462 1.00 0.00 C ATOM 715 CE1 TYR A 47 3.413 -3.785 0.440 1.00 0.00 C ATOM 716 CE2 TYR A 47 4.133 -3.887 -1.861 1.00 0.00 C ATOM 717 CZ TYR A 47 3.119 -3.958 -0.909 1.00 0.00 C ATOM 718 OH TYR A 47 1.831 -4.194 -1.299 1.00 0.00 O ATOM 0 H TYR A 47 6.953 -0.651 0.688 1.00 0.00 H new ATOM 0 HA TYR A 47 6.632 -2.886 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.559 -2.374 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.795 -3.969 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.951 -3.410 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.230 -3.591 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.624 -3.840 1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.902 -4.021 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 47 1.797 -4.290 -2.274 1.00 0.00 H new ATOM 728 N GLY A 48 9.018 -3.315 3.349 1.00 0.00 N ATOM 729 CA GLY A 48 10.436 -3.556 3.892 1.00 0.00 C ATOM 730 C GLY A 48 10.551 -4.510 5.092 1.00 0.00 C ATOM 731 O GLY A 48 9.915 -4.268 6.121 1.00 0.00 O ATOM 0 H GLY A 48 8.269 -3.665 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.051 -3.949 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.862 -2.594 4.177 1.00 0.00 H new ATOM 735 N ARG A 49 11.404 -5.547 5.028 1.00 0.00 N ATOM 736 CA ARG A 49 11.799 -6.322 6.235 1.00 0.00 C ATOM 737 C ARG A 49 12.561 -5.545 7.383 1.00 0.00 C ATOM 738 O ARG A 49 11.925 -5.333 8.431 1.00 0.00 O ATOM 739 CB ARG A 49 12.387 -7.692 5.746 1.00 0.00 C ATOM 740 CG ARG A 49 12.514 -8.776 6.838 1.00 0.00 C ATOM 741 CD ARG A 49 13.002 -10.144 6.313 1.00 0.00 C ATOM 742 NE ARG A 49 13.043 -11.087 7.423 1.00 0.00 N ATOM 743 CZ ARG A 49 13.574 -12.326 7.388 1.00 0.00 C ATOM 744 NH1 ARG A 49 14.176 -12.842 6.371 1.00 0.00 N ATOM 745 NH2 ARG A 49 13.504 -13.013 8.490 1.00 0.00 N ATOM 0 H ARG A 49 11.835 -5.873 4.163 1.00 0.00 H new ATOM 0 HA ARG A 49 10.911 -6.531 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.755 -8.076 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.373 -7.514 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.205 -8.425 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.545 -8.908 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.334 -10.509 5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.991 -10.045 5.865 1.00 0.00 H new ATOM 0 HE ARG A 49 12.633 -10.783 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.278 -12.303 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.551 -13.789 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.065 -12.608 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.888 -13.957 8.528 1.00 0.00 H new ATOM 759 N LYS A 50 13.828 -5.079 7.222 1.00 0.00 N ATOM 760 CA LYS A 50 14.441 -4.034 8.142 1.00 0.00 C ATOM 761 C LYS A 50 14.489 -2.646 7.362 1.00 0.00 C ATOM 762 O LYS A 50 15.562 -2.089 7.101 1.00 0.00 O ATOM 763 CB LYS A 50 15.766 -4.606 8.795 1.00 0.00 C ATOM 764 CG LYS A 50 16.564 -3.604 9.741 1.00 0.00 C ATOM 765 CD LYS A 50 17.914 -4.207 10.243 1.00 0.00 C ATOM 766 CE LYS A 50 18.900 -3.174 10.850 1.00 0.00 C ATOM 767 NZ LYS A 50 20.009 -3.860 11.535 1.00 0.00 N ATOM 0 H LYS A 50 14.452 -5.394 6.480 1.00 0.00 H new ATOM 0 HA LYS A 50 13.842 -3.806 9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.509 -5.494 9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.432 -4.928 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.761 -2.678 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.943 -3.346 10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.700 -4.968 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.404 -4.710 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.293 -2.531 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.373 -2.530 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.659 -3.154 11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.630 -4.455 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.522 -4.456 10.854 1.00 0.00 H new ATOM 781 N LYS A 51 13.350 -2.091 6.986 1.00 0.00 N ATOM 782 CA LYS A 51 13.248 -0.727 6.379 1.00 0.00 C ATOM 783 C LYS A 51 11.900 -0.139 6.906 1.00 0.00 C ATOM 784 O LYS A 51 11.872 0.079 8.125 1.00 0.00 O ATOM 785 CB LYS A 51 13.437 -0.798 4.845 1.00 0.00 C ATOM 786 CG LYS A 51 14.768 -1.202 4.207 1.00 0.00 C ATOM 787 CD LYS A 51 14.665 -1.279 2.686 1.00 0.00 C ATOM 788 CE LYS A 51 15.964 -1.176 1.893 1.00 0.00 C ATOM 789 NZ LYS A 51 15.764 -1.429 0.422 1.00 0.00 N ATOM 0 H LYS A 51 12.449 -2.558 7.084 1.00 0.00 H new ATOM 0 HA LYS A 51 14.042 -0.041 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.685 -1.491 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.187 0.188 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.538 -0.481 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.081 -2.169 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.185 -2.223 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.001 -0.482 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.393 -0.184 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.684 -1.893 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.674 -1.683 -0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.089 -2.209 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.391 -0.570 -0.031 1.00 0.00 H new ATOM 803 N ARG A 52 10.837 0.117 6.129 1.00 0.00 N ATOM 804 CA ARG A 52 9.453 0.469 6.619 1.00 0.00 C ATOM 805 C ARG A 52 9.192 1.921 7.146 1.00 0.00 C ATOM 806 O ARG A 52 9.101 2.126 8.334 1.00 0.00 O ATOM 807 CB ARG A 52 8.879 -0.739 7.424 1.00 0.00 C ATOM 808 CG ARG A 52 7.316 -0.791 7.566 1.00 0.00 C ATOM 809 CD ARG A 52 6.732 -2.153 8.015 1.00 0.00 C ATOM 810 NE ARG A 52 6.915 -2.423 9.469 1.00 0.00 N ATOM 811 CZ ARG A 52 7.851 -3.176 10.020 1.00 0.00 C ATOM 812 NH1 ARG A 52 8.852 -3.682 9.409 1.00 0.00 N ATOM 813 NH2 ARG A 52 7.712 -3.359 11.306 1.00 0.00 N ATOM 0 H ARG A 52 10.895 0.090 5.111 1.00 0.00 H new ATOM 0 HA ARG A 52 8.818 0.602 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.211 -1.660 6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.314 -0.724 8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.008 -0.030 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.872 -0.524 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.668 -2.180 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.206 -2.950 7.442 1.00 0.00 H new ATOM 0 HE ARG A 52 6.250 -1.982 10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.977 -3.516 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.526 -4.253 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.927 -2.934 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.388 -3.927 11.816 1.00 0.00 H new ATOM 827 N ARG A 53 8.956 2.979 6.323 1.00 0.00 N ATOM 828 CA ARG A 53 8.295 4.271 6.757 1.00 0.00 C ATOM 829 C ARG A 53 6.995 4.611 5.906 1.00 0.00 C ATOM 830 O ARG A 53 6.302 3.691 5.417 1.00 0.00 O ATOM 831 CB ARG A 53 9.433 5.330 6.863 1.00 0.00 C ATOM 832 CG ARG A 53 9.144 6.499 7.862 1.00 0.00 C ATOM 833 CD ARG A 53 10.208 7.589 7.991 1.00 0.00 C ATOM 834 NE ARG A 53 10.385 8.501 6.857 1.00 0.00 N ATOM 835 CZ ARG A 53 11.201 9.569 6.854 1.00 0.00 C ATOM 836 NH1 ARG A 53 11.816 9.970 7.922 1.00 0.00 N ATOM 837 NH2 ARG A 53 11.414 10.240 5.746 1.00 0.00 N ATOM 0 H ARG A 53 9.214 2.974 5.336 1.00 0.00 H new ATOM 0 HA ARG A 53 7.837 4.218 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.351 4.828 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.613 5.751 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.209 6.974 7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.982 6.067 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.971 8.188 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.165 7.104 8.185 1.00 0.00 H new ATOM 0 HE ARG A 53 9.850 8.311 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.688 9.471 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.428 10.785 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.959 9.952 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.035 11.050 5.751 1.00 0.00 H new ATOM 851 N GLN A 54 6.512 5.882 5.906 1.00 0.00 N ATOM 852 CA GLN A 54 5.112 6.197 5.490 1.00 0.00 C ATOM 853 C GLN A 54 5.002 7.771 5.302 1.00 0.00 C ATOM 854 O GLN A 54 5.110 8.522 6.277 1.00 0.00 O ATOM 855 CB GLN A 54 4.148 5.735 6.596 1.00 0.00 C ATOM 856 CG GLN A 54 2.643 5.552 6.268 1.00 0.00 C ATOM 857 CD GLN A 54 1.885 4.928 7.445 1.00 0.00 C ATOM 858 OE1 GLN A 54 2.195 5.185 8.620 1.00 0.00 O ATOM 859 NE2 GLN A 54 0.787 4.232 7.246 1.00 0.00 N ATOM 0 H GLN A 54 7.059 6.696 6.184 1.00 0.00 H new ATOM 0 HA GLN A 54 4.857 5.690 4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.518 4.783 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.220 6.453 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.203 6.518 6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.536 4.919 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.496 3.999 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.227 3.925 8.041 1.00 0.00 H new ATOM 868 N ARG A 55 4.806 8.250 4.068 1.00 0.00 N ATOM 869 CA ARG A 55 4.789 9.724 3.740 1.00 0.00 C ATOM 870 C ARG A 55 3.495 10.136 2.909 1.00 0.00 C ATOM 871 O ARG A 55 3.113 9.419 1.983 1.00 0.00 O ATOM 872 CB ARG A 55 6.134 10.016 3.032 1.00 0.00 C ATOM 873 CG ARG A 55 6.465 11.528 2.708 1.00 0.00 C ATOM 874 CD ARG A 55 7.900 11.758 2.207 1.00 0.00 C ATOM 875 NE ARG A 55 8.148 13.140 1.713 1.00 0.00 N ATOM 876 CZ ARG A 55 9.215 13.556 1.044 1.00 0.00 C ATOM 877 NH1 ARG A 55 10.192 12.778 0.720 1.00 0.00 N ATOM 878 NH2 ARG A 55 9.265 14.821 0.679 1.00 0.00 N ATOM 0 H ARG A 55 4.653 7.650 3.257 1.00 0.00 H new ATOM 0 HA ARG A 55 4.710 10.344 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.937 9.620 3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.151 9.458 2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.765 11.889 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.304 12.125 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.597 11.541 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.113 11.051 1.405 1.00 0.00 H new ATOM 0 HE ARG A 55 7.427 13.835 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.166 11.792 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.990 13.149 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.496 15.450 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.072 15.171 0.163 1.00 0.00 H new ATOM 892 N ARG A 56 2.801 11.206 3.339 1.00 0.00 N ATOM 893 CA ARG A 56 1.442 11.544 2.780 1.00 0.00 C ATOM 894 C ARG A 56 1.328 12.922 2.052 1.00 0.00 C ATOM 895 O ARG A 56 1.532 13.975 2.636 1.00 0.00 O ATOM 896 CB ARG A 56 0.501 11.468 4.026 1.00 0.00 C ATOM 897 CG ARG A 56 -0.992 11.725 3.720 1.00 0.00 C ATOM 898 CD ARG A 56 -1.486 13.048 4.353 1.00 0.00 C ATOM 899 NE ARG A 56 -2.825 13.466 3.898 1.00 0.00 N ATOM 900 CZ ARG A 56 -3.071 14.294 2.904 1.00 0.00 C ATOM 901 NH1 ARG A 56 -2.162 14.961 2.296 1.00 0.00 N ATOM 902 NH2 ARG A 56 -4.283 14.448 2.506 1.00 0.00 N ATOM 0 H ARG A 56 3.134 11.851 4.056 1.00 0.00 H new ATOM 0 HA ARG A 56 1.184 10.850 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.601 10.483 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.838 12.196 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.142 11.760 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.589 10.895 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.500 12.937 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.772 13.838 4.122 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.628 13.081 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.186 14.865 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.414 15.588 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.038 13.933 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.490 15.086 1.737 1.00 0.00 H new ATOM 916 N ARG A 57 0.947 12.983 0.732 1.00 0.00 N ATOM 917 CA ARG A 57 1.084 14.210 -0.101 1.00 0.00 C ATOM 918 C ARG A 57 -0.218 14.680 -0.883 1.00 0.00 C ATOM 919 O ARG A 57 -0.653 15.811 -0.678 1.00 0.00 O ATOM 920 CB ARG A 57 2.423 14.114 -0.875 1.00 0.00 C ATOM 921 CG ARG A 57 2.898 15.339 -1.699 1.00 0.00 C ATOM 922 CD ARG A 57 2.214 15.581 -3.043 1.00 0.00 C ATOM 923 NE ARG A 57 3.161 16.404 -3.834 1.00 0.00 N ATOM 924 CZ ARG A 57 2.918 17.573 -4.456 1.00 0.00 C ATOM 925 NH1 ARG A 57 1.748 18.091 -4.593 1.00 0.00 N ATOM 926 NH2 ARG A 57 3.917 18.201 -4.983 1.00 0.00 N ATOM 0 H ARG A 57 0.544 12.191 0.231 1.00 0.00 H new ATOM 0 HA ARG A 57 1.154 15.088 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.205 13.878 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.351 13.266 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.765 16.231 -1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.968 15.232 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.998 14.639 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.263 16.097 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 57 4.110 16.041 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.930 17.610 -4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.638 18.982 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.856 17.808 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.766 19.089 -5.461 1.00 0.00 H new ATOM 940 N PRO A 58 -0.904 13.886 -1.759 1.00 0.00 N ATOM 941 CA PRO A 58 -2.232 14.295 -2.404 1.00 0.00 C ATOM 942 C PRO A 58 -3.528 14.084 -1.474 1.00 0.00 C ATOM 943 O PRO A 58 -3.416 13.549 -0.347 1.00 0.00 O ATOM 944 CB PRO A 58 -2.218 13.398 -3.665 1.00 0.00 C ATOM 945 CG PRO A 58 -1.535 12.096 -3.206 1.00 0.00 C ATOM 946 CD PRO A 58 -0.368 12.627 -2.342 1.00 0.00 C ATOM 0 HA PRO A 58 -2.309 15.363 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.228 13.209 -4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.668 13.868 -4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.211 11.462 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.181 11.503 -4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.088 11.914 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.523 12.811 -2.942 1.00 0.00 H new ATOM 954 N PRO A 59 -4.769 14.410 -1.922 1.00 0.00 N ATOM 955 CA PRO A 59 -6.018 14.320 -1.107 1.00 0.00 C ATOM 956 C PRO A 59 -6.395 12.979 -0.459 1.00 0.00 C ATOM 957 O PRO A 59 -6.470 12.977 0.756 1.00 0.00 O ATOM 958 CB PRO A 59 -7.087 14.878 -2.048 1.00 0.00 C ATOM 959 CG PRO A 59 -6.379 15.825 -3.015 1.00 0.00 C ATOM 960 CD PRO A 59 -4.973 15.248 -3.160 1.00 0.00 C ATOM 0 HA PRO A 59 -5.882 14.881 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.582 14.072 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.858 15.406 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.892 15.866 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.352 16.842 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.884 14.646 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.226 16.039 -3.229 1.00 0.00 H new ATOM 968 N GLN A 60 -6.610 11.738 -0.928 1.00 0.00 N ATOM 969 CA GLN A 60 -6.558 11.281 -2.333 1.00 0.00 C ATOM 970 C GLN A 60 -7.540 10.089 -2.636 1.00 0.00 C ATOM 971 O GLN A 60 -7.734 9.253 -1.761 1.00 0.00 O ATOM 972 CB GLN A 60 -5.049 10.905 -2.668 1.00 0.00 C ATOM 973 CG GLN A 60 -4.773 10.507 -4.148 1.00 0.00 C ATOM 974 CD GLN A 60 -5.091 11.501 -5.261 1.00 0.00 C ATOM 975 OE1 GLN A 60 -5.796 12.470 -5.046 1.00 0.00 O ATOM 976 NE2 GLN A 60 -4.596 11.341 -6.458 1.00 0.00 N ATOM 0 H GLN A 60 -6.841 10.973 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.900 12.089 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.416 11.755 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.747 10.079 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.716 10.254 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.335 9.596 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.003 10.537 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.802 12.020 -7.190 1.00 0.00 H new ATOM 985 N GLY A 61 -8.183 9.985 -3.835 1.00 0.00 N ATOM 986 CA GLY A 61 -8.605 8.619 -4.321 1.00 0.00 C ATOM 987 C GLY A 61 -7.506 7.549 -4.613 1.00 0.00 C ATOM 988 O GLY A 61 -7.360 6.654 -3.794 1.00 0.00 O ATOM 0 H GLY A 61 -8.412 10.765 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.284 8.200 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.181 8.758 -5.236 1.00 0.00 H new ATOM 992 N ASN A 62 -6.750 7.621 -5.740 1.00 0.00 N ATOM 993 CA ASN A 62 -5.732 6.577 -6.110 1.00 0.00 C ATOM 994 C ASN A 62 -4.687 6.202 -4.938 1.00 0.00 C ATOM 995 O ASN A 62 -4.625 5.047 -4.503 1.00 0.00 O ATOM 996 CB ASN A 62 -5.023 6.829 -7.491 1.00 0.00 C ATOM 997 CG ASN A 62 -5.750 7.634 -8.600 1.00 0.00 C ATOM 998 OD1 ASN A 62 -5.973 8.833 -8.484 1.00 0.00 O ATOM 999 ND2 ASN A 62 -6.171 7.036 -9.668 1.00 0.00 N ATOM 0 H ASN A 62 -6.819 8.385 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.339 5.682 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.082 7.339 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.772 5.854 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.673 7.563 -10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.001 6.038 -9.794 1.00 0.00 H new ATOM 1006 N GLN A 63 -3.953 7.162 -4.368 1.00 0.00 N ATOM 1007 CA GLN A 63 -3.166 6.892 -3.140 1.00 0.00 C ATOM 1008 C GLN A 63 -3.960 6.463 -1.836 1.00 0.00 C ATOM 1009 O GLN A 63 -3.260 6.168 -0.895 1.00 0.00 O ATOM 1010 CB GLN A 63 -2.216 8.121 -2.995 1.00 0.00 C ATOM 1011 CG GLN A 63 -0.930 7.722 -2.198 1.00 0.00 C ATOM 1012 CD GLN A 63 0.064 8.890 -1.954 1.00 0.00 C ATOM 1013 OE1 GLN A 63 0.046 9.521 -0.896 1.00 0.00 O ATOM 1014 NE2 GLN A 63 0.875 9.176 -2.911 1.00 0.00 N ATOM 0 H GLN A 63 -3.881 8.116 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.606 5.964 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.940 8.494 -3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.734 8.931 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.228 7.308 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.414 6.929 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.860 8.630 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.533 9.949 -2.808 1.00 0.00 H new ATOM 1023 N ALA A 64 -5.279 6.409 -1.830 1.00 0.00 N ATOM 1024 CA ALA A 64 -6.101 5.566 -0.889 1.00 0.00 C ATOM 1025 C ALA A 64 -6.577 4.149 -1.434 1.00 0.00 C ATOM 1026 O ALA A 64 -6.533 3.186 -0.667 1.00 0.00 O ATOM 1027 CB ALA A 64 -7.307 6.456 -0.433 1.00 0.00 C ATOM 0 H ALA A 64 -5.850 6.949 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.458 5.275 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.937 5.891 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.932 7.347 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.892 6.750 -1.304 1.00 0.00 H new ATOM 1033 N HIS A 65 -6.992 4.017 -2.712 1.00 0.00 N ATOM 1034 CA HIS A 65 -7.389 2.723 -3.383 1.00 0.00 C ATOM 1035 C HIS A 65 -6.184 1.783 -3.857 1.00 0.00 C ATOM 1036 O HIS A 65 -5.963 0.669 -3.388 1.00 0.00 O ATOM 1037 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1038 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1039 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1040 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1041 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1042 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -7.068 4.819 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.885 2.112 -2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.942 3.903 -5.149 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.418 2.220 -5.255 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.266 5.150 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.870 3.782 -4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.864 5.614 -3.030 1.00 0.00 H new ATOM 1050 N GLN A 66 -5.464 2.296 -4.858 1.00 0.00 N ATOM 1051 CA GLN A 66 -4.409 1.643 -5.712 1.00 0.00 C ATOM 1052 C GLN A 66 -3.212 0.872 -5.055 1.00 0.00 C ATOM 1053 O GLN A 66 -2.593 1.410 -4.139 1.00 0.00 O ATOM 1054 CB GLN A 66 -3.939 2.864 -6.555 1.00 0.00 C ATOM 1055 CG GLN A 66 -3.147 2.662 -7.891 1.00 0.00 C ATOM 1056 CD GLN A 66 -2.724 3.933 -8.600 1.00 0.00 C ATOM 1057 OE1 GLN A 66 -3.401 4.529 -9.446 1.00 0.00 O ATOM 1058 NE2 GLN A 66 -1.537 4.413 -8.336 1.00 0.00 N ATOM 0 H GLN A 66 -5.600 3.268 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.838 0.788 -6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.828 3.448 -6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.318 3.481 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.256 2.072 -7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.763 2.075 -8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.943 3.954 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.205 5.246 -8.821 1.00 0.00 H new ATOM 1067 N ASP A 67 -2.780 -0.318 -5.590 1.00 0.00 N ATOM 1068 CA ASP A 67 -1.336 -0.730 -5.425 1.00 0.00 C ATOM 1069 C ASP A 67 -0.341 -0.217 -6.583 1.00 0.00 C ATOM 1070 O ASP A 67 0.712 0.343 -6.236 1.00 0.00 O ATOM 1071 CB ASP A 67 -1.224 -2.274 -5.267 1.00 0.00 C ATOM 1072 CG ASP A 67 -0.489 -2.891 -4.104 1.00 0.00 C ATOM 1073 OD1 ASP A 67 -0.465 -2.349 -2.978 1.00 0.00 O ATOM 1074 OD2 ASP A 67 0.127 -3.964 -4.299 1.00 0.00 O ATOM 0 H ASP A 67 -3.365 -0.974 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.003 -0.229 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.241 -2.666 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.757 -2.653 -6.176 1.00 0.00 H new ATOM 1079 N PRO A 68 -0.531 -0.433 -7.928 1.00 0.00 N ATOM 1080 CA PRO A 68 0.526 -0.160 -8.949 1.00 0.00 C ATOM 1081 C PRO A 68 0.401 1.243 -9.606 1.00 0.00 C ATOM 1082 O PRO A 68 0.473 2.264 -8.923 1.00 0.00 O ATOM 1083 CB PRO A 68 0.411 -1.378 -9.857 1.00 0.00 C ATOM 1084 CG PRO A 68 -1.087 -1.776 -9.810 1.00 0.00 C ATOM 1085 CD PRO A 68 -1.600 -1.330 -8.449 1.00 0.00 C ATOM 0 HA PRO A 68 1.538 -0.067 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.725 -1.143 -10.874 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.046 -2.192 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.644 -1.294 -10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.209 -2.851 -9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.552 -0.806 -8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.763 -2.181 -7.787 1.00 0.00 H new ATOM 1093 N LEU A 69 0.336 1.334 -10.957 1.00 0.00 N ATOM 1094 CA LEU A 69 0.068 2.624 -11.697 1.00 0.00 C ATOM 1095 C LEU A 69 -0.877 2.454 -12.961 1.00 0.00 C ATOM 1096 O LEU A 69 -1.832 3.240 -13.030 1.00 0.00 O ATOM 1097 CB LEU A 69 1.342 3.413 -12.126 1.00 0.00 C ATOM 1098 CG LEU A 69 2.271 4.053 -11.055 1.00 0.00 C ATOM 1099 CD1 LEU A 69 3.537 4.656 -11.660 1.00 0.00 C ATOM 1100 CD2 LEU A 69 1.568 5.264 -10.419 1.00 0.00 C ATOM 0 H LEU A 69 0.465 0.532 -11.573 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.451 3.214 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.955 2.736 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.016 4.214 -12.790 1.00 0.00 H new ATOM 0 HG LEU A 69 2.506 3.250 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.148 5.089 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.103 3.877 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.265 5.434 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.220 5.711 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.344 6.001 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.641 4.940 -9.946 1.00 0.00 H new ATOM 1112 N PRO A 70 -0.702 1.588 -14.004 1.00 0.00 N ATOM 1113 CA PRO A 70 -1.591 1.604 -15.229 1.00 0.00 C ATOM 1114 C PRO A 70 -2.962 0.801 -15.065 1.00 0.00 C ATOM 1115 O PRO A 70 -3.076 -0.054 -14.185 1.00 0.00 O ATOM 1116 CB PRO A 70 -0.595 1.110 -16.291 1.00 0.00 C ATOM 1117 CG PRO A 70 0.257 0.113 -15.535 1.00 0.00 C ATOM 1118 CD PRO A 70 0.450 0.674 -14.121 1.00 0.00 C ATOM 0 HA PRO A 70 -2.027 2.570 -15.485 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.105 0.645 -17.135 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.004 1.928 -16.692 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.229 -0.862 -15.501 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.218 -0.027 -16.030 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.430 -0.109 -13.363 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.400 1.197 -14.014 1.00 0.00 H new ATOM 1126 N GLU A 71 -3.940 1.068 -15.959 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.272 0.416 -16.052 1.00 0.00 C ATOM 1128 C GLU A 71 -5.168 -1.026 -16.684 1.00 0.00 C ATOM 1129 O GLU A 71 -5.697 -1.305 -17.773 1.00 0.00 O ATOM 1130 CB GLU A 71 -6.193 1.429 -16.787 1.00 0.00 C ATOM 1131 CG GLU A 71 -5.712 2.127 -18.129 1.00 0.00 C ATOM 1132 CD GLU A 71 -5.013 3.502 -17.979 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -3.851 3.511 -17.510 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -5.656 4.563 -18.201 1.00 0.00 O ATOM 0 H GLU A 71 -3.818 1.783 -16.676 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.715 0.204 -15.079 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.127 0.912 -17.010 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.429 2.223 -16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.027 1.450 -18.640 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.579 2.253 -18.778 1.00 0.00 H new ATOM 1141 N GLN A 72 -4.486 -1.970 -15.979 1.00 0.00 N ATOM 1142 CA GLN A 72 -4.196 -3.323 -16.563 1.00 0.00 C ATOM 1143 C GLN A 72 -4.317 -4.548 -15.566 1.00 0.00 C ATOM 1144 O GLN A 72 -3.318 -4.863 -14.940 1.00 0.00 O ATOM 1145 CB GLN A 72 -2.746 -3.222 -17.150 1.00 0.00 C ATOM 1146 CG GLN A 72 -2.467 -2.395 -18.433 1.00 0.00 C ATOM 1147 CD GLN A 72 -1.064 -2.513 -19.021 1.00 0.00 C ATOM 1148 OE1 GLN A 72 -0.162 -3.094 -18.461 1.00 0.00 O ATOM 1149 NE2 GLN A 72 -0.850 -1.994 -20.178 1.00 0.00 N ATOM 0 H GLN A 72 -4.133 -1.832 -15.032 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.957 -3.546 -17.311 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.109 -2.818 -16.363 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.407 -4.240 -17.344 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.184 -2.695 -19.197 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.658 -1.345 -18.212 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.600 -1.501 -20.663 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.070 -2.075 -20.611 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.486 -5.166 -15.296 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.642 -6.081 -14.127 1.00 0.00 C ATOM 1160 C PRO A 73 -4.956 -7.494 -14.272 1.00 0.00 C ATOM 1161 O PRO A 73 -5.441 -8.420 -14.953 1.00 0.00 O ATOM 1162 CB PRO A 73 -7.194 -6.145 -13.985 1.00 0.00 C ATOM 1163 CG PRO A 73 -7.765 -5.904 -15.372 1.00 0.00 C ATOM 1164 CD PRO A 73 -6.742 -4.944 -16.000 1.00 0.00 C ATOM 0 HA PRO A 73 -5.126 -5.714 -13.239 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.508 -7.115 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.551 -5.392 -13.283 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.852 -6.830 -15.940 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.760 -5.462 -15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.630 -5.139 -17.066 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.067 -3.909 -15.898 1.00 0.00 H new ATOM 1172 N SER A 74 -3.838 -7.710 -13.507 1.00 0.00 N ATOM 1173 CA SER A 74 -3.227 -9.088 -13.279 1.00 0.00 C ATOM 1174 C SER A 74 -2.344 -9.116 -11.976 1.00 0.00 C ATOM 1175 O SER A 74 -2.835 -8.931 -10.843 1.00 0.00 O ATOM 1176 CB SER A 74 -2.477 -9.482 -14.565 1.00 0.00 C ATOM 1177 OG SER A 74 -1.996 -10.814 -14.448 1.00 0.00 O ATOM 0 H SER A 74 -3.335 -6.959 -13.035 1.00 0.00 H new ATOM 0 HA SER A 74 -3.996 -9.837 -13.092 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.141 -9.399 -15.425 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.646 -8.798 -14.737 1.00 0.00 H new ATOM 0 HG SER A 74 -1.521 -11.063 -15.268 1.00 0.00 H new ATOM 1183 N SER A 75 -1.006 -9.373 -12.095 1.00 0.00 N ATOM 1184 CA SER A 75 -0.029 -9.185 -10.983 1.00 0.00 C ATOM 1185 C SER A 75 1.379 -8.595 -11.427 1.00 0.00 C ATOM 1186 O SER A 75 1.701 -8.579 -12.623 1.00 0.00 O ATOM 1187 CB SER A 75 0.103 -10.499 -10.205 1.00 0.00 C ATOM 1188 OG SER A 75 0.885 -11.393 -10.998 1.00 0.00 O ATOM 0 H SER A 75 -0.581 -9.713 -12.957 1.00 0.00 H new ATOM 0 HA SER A 75 -0.430 -8.411 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.579 -10.326 -9.240 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.880 -10.925 -10.004 1.00 0.00 H new ATOM 0 HG SER A 75 0.989 -12.245 -10.525 1.00 0.00 H new ATOM 1194 N GLN A 76 2.150 -8.038 -10.479 1.00 0.00 N ATOM 1195 CA GLN A 76 3.497 -7.452 -10.744 1.00 0.00 C ATOM 1196 C GLN A 76 3.520 -6.140 -11.656 1.00 0.00 C ATOM 1197 O GLN A 76 3.859 -6.176 -12.840 1.00 0.00 O ATOM 1198 CB GLN A 76 4.554 -8.544 -11.057 1.00 0.00 C ATOM 1199 CG GLN A 76 6.046 -8.086 -11.161 1.00 0.00 C ATOM 1200 CD GLN A 76 7.085 -9.187 -11.205 1.00 0.00 C ATOM 1201 OE1 GLN A 76 7.680 -9.609 -10.219 1.00 0.00 O ATOM 1202 NE2 GLN A 76 7.389 -9.691 -12.386 1.00 0.00 N ATOM 0 H GLN A 76 1.866 -7.976 -9.501 1.00 0.00 H new ATOM 0 HA GLN A 76 3.825 -7.015 -9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.489 -9.309 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.280 -9.019 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.155 -7.477 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.266 -7.442 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.909 -9.357 -13.222 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.104 -10.414 -12.463 1.00 0.00 H new ATOM 1211 N HIS A 77 3.127 -4.993 -11.060 1.00 0.00 N ATOM 1212 CA HIS A 77 2.808 -3.719 -11.750 1.00 0.00 C ATOM 1213 C HIS A 77 1.563 -3.755 -12.737 1.00 0.00 C ATOM 1214 O HIS A 77 1.563 -3.086 -13.768 1.00 0.00 O ATOM 1215 CB HIS A 77 3.949 -2.887 -12.358 1.00 0.00 C ATOM 1216 CG HIS A 77 3.649 -1.416 -12.350 1.00 0.00 C ATOM 1217 ND1 HIS A 77 3.504 -0.620 -11.217 1.00 0.00 N ATOM 1218 CD2 HIS A 77 3.410 -0.695 -13.512 1.00 0.00 C ATOM 1219 CE1 HIS A 77 3.187 0.552 -11.798 1.00 0.00 C ATOM 1220 NE2 HIS A 77 3.106 0.593 -13.156 1.00 0.00 N ATOM 0 H HIS A 77 3.019 -4.924 -10.048 1.00 0.00 H new ATOM 0 HA HIS A 77 2.526 -3.166 -10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.867 -3.071 -11.800 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.128 -3.213 -13.383 1.00 0.00 H new ATOM 0 HD1 HIS A 77 3.608 -0.857 -10.230 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.456 -1.081 -14.520 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.002 1.435 -11.204 1.00 0.00 H new ATOM 1228 N ARG A 78 0.506 -4.486 -12.368 1.00 0.00 N ATOM 1229 CA ARG A 78 -0.733 -4.668 -13.162 1.00 0.00 C ATOM 1230 C ARG A 78 -2.005 -4.348 -12.239 1.00 0.00 C ATOM 1231 O ARG A 78 -2.612 -3.281 -12.375 1.00 0.00 O ATOM 1232 CB ARG A 78 -0.618 -6.117 -13.775 1.00 0.00 C ATOM 1233 CG ARG A 78 0.498 -6.482 -14.762 1.00 0.00 C ATOM 1234 CD ARG A 78 0.561 -5.754 -16.108 1.00 0.00 C ATOM 1235 NE ARG A 78 1.451 -6.564 -16.993 1.00 0.00 N ATOM 1236 CZ ARG A 78 1.351 -6.655 -18.317 1.00 0.00 C ATOM 1237 NH1 ARG A 78 0.615 -5.865 -19.038 1.00 0.00 N ATOM 1238 NH2 ARG A 78 1.929 -7.642 -18.924 1.00 0.00 N ATOM 0 H ARG A 78 0.480 -4.988 -11.480 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.866 -3.979 -13.996 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.540 -6.810 -12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.564 -6.326 -14.275 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.450 -6.323 -14.256 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.420 -7.550 -14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.434 -5.658 -16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.953 -4.745 -15.984 1.00 0.00 H new ATOM 0 HE ARG A 78 2.199 -7.092 -16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.073 -5.125 -18.592 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.579 -5.984 -20.050 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.451 -8.335 -18.388 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.862 -7.726 -19.938 1.00 0.00 H new ATOM 1252 N GLY A 79 -2.426 -5.340 -11.385 1.00 0.00 N ATOM 1253 CA GLY A 79 -3.554 -5.071 -10.405 1.00 0.00 C ATOM 1254 C GLY A 79 -3.314 -5.487 -8.916 1.00 0.00 C ATOM 1255 O GLY A 79 -4.027 -6.324 -8.341 1.00 0.00 O ATOM 0 H GLY A 79 -2.034 -6.281 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.775 -4.004 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.444 -5.589 -10.762 1.00 0.00 H new ATOM 1259 N ASP A 80 -2.248 -4.912 -8.329 1.00 0.00 N ATOM 1260 CA ASP A 80 -1.498 -5.514 -7.201 1.00 0.00 C ATOM 1261 C ASP A 80 -2.200 -5.935 -5.879 1.00 0.00 C ATOM 1262 O ASP A 80 -1.649 -6.746 -5.126 1.00 0.00 O ATOM 1263 CB ASP A 80 -0.439 -6.519 -7.753 1.00 0.00 C ATOM 1264 CG ASP A 80 0.626 -5.783 -8.608 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.666 -5.292 -8.070 1.00 0.00 O ATOM 1266 OD2 ASP A 80 0.433 -5.684 -9.842 1.00 0.00 O ATOM 0 H ASP A 80 -1.877 -4.009 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.021 -4.644 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.046 -7.034 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.933 -7.280 -8.356 1.00 0.00 H new ATOM 1271 N HIS A 81 -3.353 -5.393 -5.518 1.00 0.00 N ATOM 1272 CA HIS A 81 -4.107 -5.760 -4.261 1.00 0.00 C ATOM 1273 C HIS A 81 -5.643 -5.459 -4.215 1.00 0.00 C ATOM 1274 O HIS A 81 -6.297 -6.198 -3.461 1.00 0.00 O ATOM 1275 CB HIS A 81 -3.430 -5.290 -2.963 1.00 0.00 C ATOM 1276 CG HIS A 81 -3.677 -3.835 -2.686 1.00 0.00 C ATOM 1277 ND1 HIS A 81 -4.019 -2.872 -3.633 1.00 0.00 N ATOM 1278 CD2 HIS A 81 -3.284 -3.254 -1.489 1.00 0.00 C ATOM 1279 CE1 HIS A 81 -3.805 -1.756 -2.912 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -3.365 -1.893 -1.632 1.00 0.00 N ATOM 0 H HIS A 81 -3.822 -4.677 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.046 -6.847 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.799 -5.884 -2.127 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.357 -5.468 -3.031 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.969 -3.781 -0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.978 -0.779 -3.338 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.150 -1.166 -0.950 1.00 0.00 H new ATOM 1288 N PRO A 82 -6.303 -4.455 -4.898 1.00 0.00 N ATOM 1289 CA PRO A 82 -7.795 -4.304 -4.884 1.00 0.00 C ATOM 1290 C PRO A 82 -8.624 -5.097 -5.979 1.00 0.00 C ATOM 1291 O PRO A 82 -8.063 -5.830 -6.816 1.00 0.00 O ATOM 1292 CB PRO A 82 -7.896 -2.736 -4.913 1.00 0.00 C ATOM 1293 CG PRO A 82 -6.522 -2.153 -5.265 1.00 0.00 C ATOM 1294 CD PRO A 82 -5.681 -3.358 -5.680 1.00 0.00 C ATOM 0 HA PRO A 82 -8.280 -4.776 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.638 -2.420 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.226 -2.362 -3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.596 -1.425 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.081 -1.638 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.734 -3.542 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.628 -3.226 -5.431 1.00 0.00 H new ATOM 1302 N THR A 83 -9.918 -4.760 -6.095 1.00 0.00 N ATOM 1303 CA THR A 83 -10.531 -4.575 -7.434 1.00 0.00 C ATOM 1304 C THR A 83 -10.295 -3.102 -7.917 1.00 0.00 C ATOM 1305 O THR A 83 -11.111 -2.200 -7.653 1.00 0.00 O ATOM 1306 CB THR A 83 -12.021 -5.084 -7.480 1.00 0.00 C ATOM 1307 OG1 THR A 83 -12.119 -6.435 -7.048 1.00 0.00 O ATOM 1308 CG2 THR A 83 -12.705 -4.966 -8.854 1.00 0.00 C ATOM 0 H THR A 83 -10.550 -4.612 -5.308 1.00 0.00 H new ATOM 0 HA THR A 83 -10.035 -5.212 -8.166 1.00 0.00 H new ATOM 0 HB THR A 83 -12.547 -4.415 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.055 -6.723 -7.085 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.726 -5.341 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.722 -3.921 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.152 -5.553 -9.587 1.00 0.00 H new ATOM 1316 N GLY A 84 -9.098 -2.825 -8.496 1.00 0.00 N ATOM 1317 CA GLY A 84 -8.599 -1.433 -8.772 1.00 0.00 C ATOM 1318 C GLY A 84 -7.135 -1.420 -9.221 1.00 0.00 C ATOM 1319 O GLY A 84 -6.266 -1.512 -8.312 1.00 0.00 O ATOM 0 H GLY A 84 -8.445 -3.552 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.218 -0.974 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.707 -0.826 -7.873 1.00 0.00 H new ATOM 1323 N PRO A 85 -6.797 -1.389 -10.512 1.00 0.00 N ATOM 1324 CA PRO A 85 -5.388 -1.253 -11.002 1.00 0.00 C ATOM 1325 C PRO A 85 -4.727 0.180 -10.948 1.00 0.00 C ATOM 1326 O PRO A 85 -3.613 0.379 -10.493 1.00 0.00 O ATOM 1327 CB PRO A 85 -5.518 -1.846 -12.445 1.00 0.00 C ATOM 1328 CG PRO A 85 -6.923 -1.447 -12.861 1.00 0.00 C ATOM 1329 CD PRO A 85 -7.788 -1.491 -11.617 1.00 0.00 C ATOM 0 HA PRO A 85 -4.682 -1.764 -10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.767 -1.434 -13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.390 -2.928 -12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.926 -0.448 -13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.307 -2.127 -13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.503 -0.669 -11.594 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.363 -2.415 -11.559 1.00 0.00 H new ATOM 1337 N LYS A 86 -5.533 1.153 -11.398 1.00 0.00 N ATOM 1338 CA LYS A 86 -5.261 2.612 -11.405 1.00 0.00 C ATOM 1339 C LYS A 86 -6.502 3.390 -10.783 1.00 0.00 C ATOM 1340 O LYS A 86 -7.386 3.840 -11.521 1.00 0.00 O ATOM 1341 CB LYS A 86 -4.995 3.017 -12.875 1.00 0.00 C ATOM 1342 CG LYS A 86 -4.697 4.537 -13.134 1.00 0.00 C ATOM 1343 CD LYS A 86 -4.562 4.774 -14.665 1.00 0.00 C ATOM 1344 CE LYS A 86 -4.397 6.269 -15.070 1.00 0.00 C ATOM 1345 NZ LYS A 86 -4.466 6.317 -16.554 1.00 0.00 N ATOM 0 H LYS A 86 -6.449 0.938 -11.792 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.393 2.867 -10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.150 2.435 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.862 2.732 -13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.500 5.152 -12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.780 4.833 -12.625 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.703 4.213 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.444 4.370 -15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.183 6.880 -14.626 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.446 6.664 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.599 7.301 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.582 5.944 -16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.266 5.739 -16.883 1.00 0.00 H new ATOM 1359 N GLU A 87 -6.526 3.626 -9.437 1.00 0.00 N ATOM 1360 CA GLU A 87 -7.728 3.657 -8.564 1.00 0.00 C ATOM 1361 C GLU A 87 -8.122 2.196 -8.060 1.00 0.00 C ATOM 1362 O GLU A 87 -9.113 1.659 -8.578 1.00 0.00 O ATOM 1363 CB GLU A 87 -8.933 4.535 -9.044 1.00 0.00 C ATOM 1364 CG GLU A 87 -9.932 5.111 -7.970 1.00 0.00 C ATOM 1365 CD GLU A 87 -9.645 6.456 -7.255 1.00 0.00 C ATOM 1366 OE1 GLU A 87 -9.009 7.394 -7.805 1.00 0.00 O ATOM 1367 OE2 GLU A 87 -10.160 6.650 -6.130 1.00 0.00 O ATOM 1368 OXT GLU A 87 -7.398 1.554 -7.254 1.00 0.00 O ATOM 0 H GLU A 87 -5.669 3.807 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.414 4.227 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.525 5.379 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.514 3.940 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.903 5.208 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.039 4.353 -7.194 1.00 0.00 H new