USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 60 GLN : amide:sc= -0.712 K(o=-0.77,f=-3.7!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.0632 X(o=-0.77,f=-1) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.00258 K(o=0.033,f=-2.2) USER MOD Set 2.2: A 46 SER OG : rot 78:sc= 0.0302 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -2.06! C(o=-9.7!,f=-14!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -0.916 K(o=-9.7,f=-15!) USER MOD Set 3.3: A 81 HIS : no HD1:sc= -6.77! C(o=-9.7!,f=-19!) USER MOD Set 4.1: A 23 ASN : amide:sc= 0.0898 K(o=0.62,f=-1.4) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -136:sc= 0.533 (180deg=-0.222) USER MOD Set 5.1: A 27 CYS SG : rot 130:sc= 0.353 USER MOD Set 5.2: A 37 CYS SG : rot 14:sc= 0.377 USER MOD Set 6.1: A 22 CYS SG : rot -75:sc= -0.465 USER MOD Set 6.2: A 54 GLN : amide:sc= 0.108 K(o=-0.36,f=-1.1) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.857 (180deg=-2.01!) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.197 (180deg=-0.326) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 16 SER OG : rot -53:sc= 1.37 USER MOD Single : A 17 GLN : amide:sc= 0.256 K(o=0.26,f=-2.7!) USER MOD Single : A 20 THR OG1 : rot 1:sc= 1.32 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -67:sc= 0.0994 USER MOD Single : A 26 TYR OH : rot 24:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0.635 (180deg=0.634) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0125 USER MOD Single : A 32 TYR OH : rot -97:sc= 0.998 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00246 X(o=-0.0025,f=-0.11) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 42:sc= 0.66 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 2.45 (180deg=1.38) USER MOD Single : A 47 TYR OH : rot -112:sc= 0.00329 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0.984 (180deg=0.958) USER MOD Single : A 63 GLN : amide:sc= 0.0254 K(o=0.025,f=-0.76) USER MOD Single : A 65 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.00044) USER MOD Single : A 66 GLN : amide:sc= -0.606 K(o=-0.61,f=-4.6!) USER MOD Single : A 72 GLN : amide:sc= 0.222 K(o=0.22,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0432 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= -0.973 K(o=-0.97,f=-2.3!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 0.676 (180deg=0.653) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.790 4.485 -1.324 1.00 0.00 N ATOM 2 CA MET A 1 10.387 4.886 -1.619 1.00 0.00 C ATOM 3 C MET A 1 9.963 6.200 -0.802 1.00 0.00 C ATOM 4 O MET A 1 9.350 7.073 -1.425 1.00 0.00 O ATOM 5 CB MET A 1 9.421 3.681 -1.228 1.00 0.00 C ATOM 6 CG MET A 1 9.413 2.510 -2.258 1.00 0.00 C ATOM 7 SD MET A 1 8.419 1.108 -1.661 1.00 0.00 S ATOM 8 CE MET A 1 8.458 -0.002 -3.105 1.00 0.00 C ATOM 0 H1 MET A 1 11.986 3.562 -1.761 1.00 0.00 H new ATOM 0 H2 MET A 1 12.443 5.196 -1.710 1.00 0.00 H new ATOM 0 H3 MET A 1 11.922 4.416 -0.295 1.00 0.00 H new ATOM 0 HA MET A 1 10.307 5.116 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.719 3.292 -0.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.406 4.063 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.013 2.863 -3.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.435 2.180 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.602 -0.676 -3.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.415 0.589 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.380 -0.584 -3.092 1.00 0.00 H new ATOM 19 N ASP A 2 10.264 6.314 0.515 1.00 0.00 N ATOM 20 CA ASP A 2 10.078 7.610 1.259 1.00 0.00 C ATOM 21 C ASP A 2 10.895 8.868 0.748 1.00 0.00 C ATOM 22 O ASP A 2 10.245 9.913 0.849 1.00 0.00 O ATOM 23 CB ASP A 2 10.325 7.212 2.738 1.00 0.00 C ATOM 24 CG ASP A 2 9.630 8.109 3.749 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.848 9.341 3.739 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.824 7.549 4.537 1.00 0.00 O ATOM 0 H ASP A 2 10.629 5.550 1.084 1.00 0.00 H new ATOM 0 HA ASP A 2 9.080 8.014 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.988 6.186 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.397 7.227 2.932 1.00 0.00 H new ATOM 31 N PRO A 3 12.138 8.963 0.150 1.00 0.00 N ATOM 32 CA PRO A 3 12.723 10.291 -0.313 1.00 0.00 C ATOM 33 C PRO A 3 12.109 11.098 -1.496 1.00 0.00 C ATOM 34 O PRO A 3 12.598 12.190 -1.686 1.00 0.00 O ATOM 35 CB PRO A 3 14.187 9.915 -0.527 1.00 0.00 C ATOM 36 CG PRO A 3 14.093 8.481 -1.045 1.00 0.00 C ATOM 37 CD PRO A 3 13.038 7.803 -0.137 1.00 0.00 C ATOM 0 HA PRO A 3 12.495 11.048 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.673 10.574 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.760 9.975 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.789 8.457 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.055 7.973 -0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.517 6.990 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.478 7.386 0.769 1.00 0.00 H new ATOM 45 N VAL A 4 11.095 10.655 -2.228 1.00 0.00 N ATOM 46 CA VAL A 4 10.403 11.399 -3.366 1.00 0.00 C ATOM 47 C VAL A 4 9.459 12.496 -2.774 1.00 0.00 C ATOM 48 O VAL A 4 9.960 13.463 -2.197 1.00 0.00 O ATOM 49 CB VAL A 4 9.819 10.403 -4.476 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.422 11.123 -5.811 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.763 9.257 -4.903 1.00 0.00 C ATOM 0 H VAL A 4 10.687 9.734 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 4 11.117 11.965 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 4 8.953 9.996 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.034 10.390 -6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.656 11.871 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.300 11.609 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.271 8.642 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.680 9.676 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.005 8.643 -4.036 1.00 0.00 H new ATOM 61 N ASP A 5 8.099 12.317 -2.834 1.00 0.00 N ATOM 62 CA ASP A 5 7.138 13.272 -2.148 1.00 0.00 C ATOM 63 C ASP A 5 5.897 12.717 -1.379 1.00 0.00 C ATOM 64 O ASP A 5 5.646 13.169 -0.257 1.00 0.00 O ATOM 65 CB ASP A 5 6.989 14.625 -2.867 1.00 0.00 C ATOM 66 CG ASP A 5 6.212 14.768 -4.168 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.965 13.793 -4.912 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.776 15.933 -4.409 1.00 0.00 O ATOM 0 H ASP A 5 7.647 11.549 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 5 7.691 13.497 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.534 15.312 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.998 14.990 -3.062 1.00 0.00 H new ATOM 73 N PRO A 6 5.136 11.652 -1.793 1.00 0.00 N ATOM 74 CA PRO A 6 4.973 11.186 -3.219 1.00 0.00 C ATOM 75 C PRO A 6 3.638 11.592 -3.943 1.00 0.00 C ATOM 76 O PRO A 6 2.554 11.594 -3.336 1.00 0.00 O ATOM 77 CB PRO A 6 5.006 9.676 -2.942 1.00 0.00 C ATOM 78 CG PRO A 6 4.290 9.423 -1.594 1.00 0.00 C ATOM 79 CD PRO A 6 4.572 10.703 -0.782 1.00 0.00 C ATOM 0 HA PRO A 6 5.710 11.612 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.511 9.130 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.035 9.318 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.221 9.265 -1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.681 8.537 -1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.663 11.097 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.277 10.516 0.028 1.00 0.00 H new ATOM 87 N ASN A 7 3.665 11.831 -5.263 1.00 0.00 N ATOM 88 CA ASN A 7 2.403 12.056 -6.036 1.00 0.00 C ATOM 89 C ASN A 7 1.598 10.731 -6.400 1.00 0.00 C ATOM 90 O ASN A 7 0.757 10.301 -5.620 1.00 0.00 O ATOM 91 CB ASN A 7 2.755 12.969 -7.241 1.00 0.00 C ATOM 92 CG ASN A 7 3.002 14.445 -6.868 1.00 0.00 C ATOM 93 OD1 ASN A 7 2.054 15.178 -6.560 1.00 0.00 O ATOM 94 ND2 ASN A 7 4.222 14.948 -7.005 1.00 0.00 N ATOM 0 H ASN A 7 4.518 11.876 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 7 1.674 12.565 -5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.646 12.576 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.944 12.921 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.383 15.944 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.999 14.338 -7.259 1.00 0.00 H new ATOM 101 N LEU A 8 1.924 10.027 -7.476 1.00 0.00 N ATOM 102 CA LEU A 8 1.611 8.581 -7.680 1.00 0.00 C ATOM 103 C LEU A 8 2.905 7.848 -8.137 1.00 0.00 C ATOM 104 O LEU A 8 3.486 8.092 -9.212 1.00 0.00 O ATOM 105 CB LEU A 8 0.461 8.373 -8.750 1.00 0.00 C ATOM 106 CG LEU A 8 -0.936 8.821 -8.278 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.983 8.828 -9.368 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.498 7.960 -7.101 1.00 0.00 C ATOM 0 H LEU A 8 2.427 10.438 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 8 1.254 8.167 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.719 8.923 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.419 7.318 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.758 9.843 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.937 9.155 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.678 9.511 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.090 7.823 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.484 8.329 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.577 6.920 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.826 8.030 -6.246 1.00 0.00 H new ATOM 120 N GLU A 9 3.446 7.037 -7.206 1.00 0.00 N ATOM 121 CA GLU A 9 4.801 6.463 -7.336 1.00 0.00 C ATOM 122 C GLU A 9 4.778 5.035 -7.949 1.00 0.00 C ATOM 123 O GLU A 9 3.804 4.322 -7.706 1.00 0.00 O ATOM 124 CB GLU A 9 5.453 6.473 -5.945 1.00 0.00 C ATOM 125 CG GLU A 9 7.009 6.534 -5.859 1.00 0.00 C ATOM 126 CD GLU A 9 7.581 6.501 -4.483 1.00 0.00 C ATOM 127 OE1 GLU A 9 7.447 7.508 -3.757 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.128 5.466 -4.087 1.00 0.00 O ATOM 0 H GLU A 9 2.962 6.763 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 9 5.387 7.068 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.056 7.328 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.126 5.577 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.419 5.697 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.346 7.446 -6.351 1.00 0.00 H new ATOM 135 N PRO A 10 5.838 4.484 -8.682 1.00 0.00 N ATOM 136 CA PRO A 10 5.970 3.067 -9.089 1.00 0.00 C ATOM 137 C PRO A 10 5.521 1.923 -8.136 1.00 0.00 C ATOM 138 O PRO A 10 4.754 1.042 -8.557 1.00 0.00 O ATOM 139 CB PRO A 10 7.462 3.020 -9.539 1.00 0.00 C ATOM 140 CG PRO A 10 7.684 4.348 -10.283 1.00 0.00 C ATOM 141 CD PRO A 10 6.887 5.308 -9.364 1.00 0.00 C ATOM 0 HA PRO A 10 5.232 2.823 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.131 2.928 -8.684 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.654 2.165 -10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.738 4.616 -10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.294 4.326 -11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.545 5.778 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.431 6.110 -9.945 1.00 0.00 H new ATOM 149 N TRP A 11 6.010 1.916 -6.882 1.00 0.00 N ATOM 150 CA TRP A 11 5.183 1.471 -5.724 1.00 0.00 C ATOM 151 C TRP A 11 5.296 2.436 -4.493 1.00 0.00 C ATOM 152 O TRP A 11 6.344 2.368 -3.886 1.00 0.00 O ATOM 153 CB TRP A 11 5.474 0.011 -5.277 1.00 0.00 C ATOM 154 CG TRP A 11 4.459 -0.571 -4.289 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.283 -1.270 -4.634 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.347 -0.284 -2.945 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.431 -1.432 -3.524 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.113 -0.811 -2.489 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.202 0.422 -2.060 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.731 -0.647 -1.140 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.805 0.566 -0.730 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.589 0.038 -0.275 1.00 0.00 C ATOM 0 H TRP A 11 6.957 2.207 -6.638 1.00 0.00 H new ATOM 0 HA TRP A 11 4.159 1.503 -6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.506 -0.626 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.464 -0.025 -4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.063 -1.636 -5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.524 -1.898 -3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.137 0.838 -2.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.792 -1.044 -0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.446 1.094 -0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.310 0.162 0.761 1.00 0.00 H new ATOM 173 N ASN A 12 4.215 3.048 -3.962 1.00 0.00 N ATOM 174 CA ASN A 12 4.185 3.671 -2.578 1.00 0.00 C ATOM 175 C ASN A 12 2.711 3.932 -2.115 1.00 0.00 C ATOM 176 O ASN A 12 2.205 5.038 -2.322 1.00 0.00 O ATOM 177 CB ASN A 12 5.083 4.987 -2.525 1.00 0.00 C ATOM 178 CG ASN A 12 5.699 5.308 -1.160 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.572 4.611 -0.146 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.391 6.414 -1.134 1.00 0.00 N ATOM 0 H ASN A 12 3.330 3.135 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 12 4.619 2.965 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.888 4.887 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.474 5.835 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.838 6.716 -0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.485 6.977 -1.980 1.00 0.00 H new ATOM 187 N HIS A 13 2.046 2.940 -1.540 1.00 0.00 N ATOM 188 CA HIS A 13 0.719 3.150 -0.903 1.00 0.00 C ATOM 189 C HIS A 13 0.851 3.349 0.669 1.00 0.00 C ATOM 190 O HIS A 13 1.083 2.354 1.356 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 2.387 1.980 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 13 0.258 4.079 -1.239 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.174 1.864 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.177 1.028 -0.934 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 205 N PRO A 14 0.653 4.557 1.313 1.00 0.00 N ATOM 206 CA PRO A 14 0.438 4.726 2.795 1.00 0.00 C ATOM 207 C PRO A 14 -0.689 3.909 3.492 1.00 0.00 C ATOM 208 O PRO A 14 -0.384 3.353 4.572 1.00 0.00 O ATOM 209 CB PRO A 14 0.283 6.242 2.961 1.00 0.00 C ATOM 210 CG PRO A 14 0.874 6.870 1.692 1.00 0.00 C ATOM 211 CD PRO A 14 0.493 5.831 0.602 1.00 0.00 C ATOM 0 HA PRO A 14 1.284 4.289 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.765 6.516 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.807 6.593 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.446 7.851 1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.953 7.003 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.527 5.972 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.147 5.896 -0.268 1.00 0.00 H new ATOM 219 N GLY A 15 -1.968 3.958 3.041 1.00 0.00 N ATOM 220 CA GLY A 15 -3.070 3.394 3.841 1.00 0.00 C ATOM 221 C GLY A 15 -4.404 3.084 3.151 1.00 0.00 C ATOM 222 O GLY A 15 -4.396 2.178 2.322 1.00 0.00 O ATOM 0 H GLY A 15 -2.251 4.371 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.710 2.469 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.274 4.088 4.656 1.00 0.00 H new ATOM 226 N SER A 16 -5.494 3.782 3.501 1.00 0.00 N ATOM 227 CA SER A 16 -6.694 3.780 2.630 1.00 0.00 C ATOM 228 C SER A 16 -7.748 4.860 3.012 1.00 0.00 C ATOM 229 O SER A 16 -7.563 6.055 2.704 1.00 0.00 O ATOM 230 CB SER A 16 -7.345 2.330 2.368 1.00 0.00 C ATOM 231 OG SER A 16 -8.081 1.718 3.434 1.00 0.00 O ATOM 0 H SER A 16 -5.578 4.340 4.351 1.00 0.00 H new ATOM 0 HA SER A 16 -6.300 4.077 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.010 2.414 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.542 1.650 2.084 1.00 0.00 H new ATOM 0 HG SER A 16 -7.526 1.692 4.242 1.00 0.00 H new ATOM 237 N GLN A 17 -8.885 4.490 3.621 1.00 0.00 N ATOM 238 CA GLN A 17 -10.094 5.383 3.601 1.00 0.00 C ATOM 239 C GLN A 17 -10.483 5.944 5.019 1.00 0.00 C ATOM 240 O GLN A 17 -10.045 5.365 6.032 1.00 0.00 O ATOM 241 CB GLN A 17 -11.240 4.582 2.887 1.00 0.00 C ATOM 242 CG GLN A 17 -11.177 4.518 1.326 1.00 0.00 C ATOM 243 CD GLN A 17 -11.652 5.778 0.602 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.641 6.402 0.980 1.00 0.00 O ATOM 245 NE2 GLN A 17 -11.036 6.111 -0.493 1.00 0.00 N ATOM 0 H GLN A 17 -9.010 3.611 4.123 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.883 6.294 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.234 3.562 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.195 5.024 3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.149 4.313 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.780 3.675 0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.216 5.586 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.372 6.898 -1.048 1.00 0.00 H new ATOM 254 N PRO A 18 -11.311 6.991 5.241 1.00 0.00 N ATOM 255 CA PRO A 18 -12.035 7.746 4.225 1.00 0.00 C ATOM 256 C PRO A 18 -11.191 8.852 3.427 1.00 0.00 C ATOM 257 O PRO A 18 -10.585 9.701 4.083 1.00 0.00 O ATOM 258 CB PRO A 18 -13.176 8.361 5.051 1.00 0.00 C ATOM 259 CG PRO A 18 -12.519 8.647 6.418 1.00 0.00 C ATOM 260 CD PRO A 18 -11.511 7.565 6.571 1.00 0.00 C ATOM 0 HA PRO A 18 -12.349 7.106 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.558 9.272 4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.018 7.675 5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.052 9.632 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.252 8.626 7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.576 7.960 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.860 6.807 7.272 1.00 0.00 H new ATOM 268 N ARG A 19 -11.082 8.742 2.078 1.00 0.00 N ATOM 269 CA ARG A 19 -10.078 9.471 1.200 1.00 0.00 C ATOM 270 C ARG A 19 -8.890 10.269 1.909 1.00 0.00 C ATOM 271 O ARG A 19 -8.842 11.492 1.791 1.00 0.00 O ATOM 272 CB ARG A 19 -11.035 10.259 0.258 1.00 0.00 C ATOM 273 CG ARG A 19 -10.554 10.627 -1.175 1.00 0.00 C ATOM 274 CD ARG A 19 -11.594 11.368 -2.048 1.00 0.00 C ATOM 275 NE ARG A 19 -11.156 11.154 -3.451 1.00 0.00 N ATOM 276 CZ ARG A 19 -11.819 11.584 -4.532 1.00 0.00 C ATOM 277 NH1 ARG A 19 -12.722 12.513 -4.474 1.00 0.00 N ATOM 278 NH2 ARG A 19 -11.528 11.041 -5.670 1.00 0.00 N ATOM 0 H ARG A 19 -11.697 8.133 1.539 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.401 8.801 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.950 9.676 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.302 11.187 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.663 11.249 -1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.258 9.712 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.597 10.973 -1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.626 12.430 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.287 10.642 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.951 12.946 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.203 12.810 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.816 10.313 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.011 11.341 -6.517 1.00 0.00 H new ATOM 292 N THR A 20 -8.036 9.602 2.718 1.00 0.00 N ATOM 293 CA THR A 20 -7.194 10.281 3.779 1.00 0.00 C ATOM 294 C THR A 20 -5.800 10.719 3.197 1.00 0.00 C ATOM 295 O THR A 20 -5.493 11.906 3.291 1.00 0.00 O ATOM 296 CB THR A 20 -7.120 9.413 5.075 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.427 9.073 5.524 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.440 10.066 6.294 1.00 0.00 C ATOM 0 H THR A 20 -7.898 8.592 2.671 1.00 0.00 H new ATOM 0 HA THR A 20 -7.677 11.208 4.086 1.00 0.00 H new ATOM 0 HB THR A 20 -6.517 8.562 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.092 9.452 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.449 9.369 7.132 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.410 10.320 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.980 10.972 6.570 1.00 0.00 H new ATOM 306 N PRO A 21 -4.824 9.908 2.632 1.00 0.00 N ATOM 307 CA PRO A 21 -4.821 8.425 2.654 1.00 0.00 C ATOM 308 C PRO A 21 -4.104 7.665 3.849 1.00 0.00 C ATOM 309 O PRO A 21 -4.393 6.491 4.019 1.00 0.00 O ATOM 310 CB PRO A 21 -4.222 8.066 1.300 1.00 0.00 C ATOM 311 CG PRO A 21 -3.211 9.138 0.990 1.00 0.00 C ATOM 312 CD PRO A 21 -3.921 10.402 1.582 1.00 0.00 C ATOM 0 HA PRO A 21 -5.839 8.080 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.751 7.084 1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.994 8.025 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.249 8.946 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.026 9.233 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.193 11.102 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.476 10.935 0.810 1.00 0.00 H new ATOM 320 N CYS A 22 -3.196 8.252 4.662 1.00 0.00 N ATOM 321 CA CYS A 22 -2.386 7.521 5.676 1.00 0.00 C ATOM 322 C CYS A 22 -3.188 6.779 6.792 1.00 0.00 C ATOM 323 O CYS A 22 -2.940 5.600 7.043 1.00 0.00 O ATOM 324 CB CYS A 22 -1.319 8.521 6.257 1.00 0.00 C ATOM 325 SG CYS A 22 -0.011 7.642 7.210 1.00 0.00 S ATOM 0 H CYS A 22 -3.000 9.253 4.636 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.902 6.690 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.861 9.080 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.814 9.247 6.902 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.485 7.278 8.364 1.00 0.00 H new ATOM 331 N ASN A 23 -4.120 7.516 7.429 1.00 0.00 N ATOM 332 CA ASN A 23 -4.685 7.137 8.754 1.00 0.00 C ATOM 333 C ASN A 23 -3.598 7.126 9.917 1.00 0.00 C ATOM 334 O ASN A 23 -2.402 7.315 9.706 1.00 0.00 O ATOM 335 CB ASN A 23 -5.510 5.794 8.633 1.00 0.00 C ATOM 336 CG ASN A 23 -6.847 5.848 7.837 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.946 5.854 8.400 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.772 5.814 6.519 1.00 0.00 N ATOM 0 H ASN A 23 -4.503 8.382 7.051 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.384 7.916 9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.870 5.045 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.731 5.442 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.625 5.793 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.861 5.809 6.060 1.00 0.00 H new ATOM 345 N LYS A 24 -4.006 6.821 11.156 1.00 0.00 N ATOM 346 CA LYS A 24 -3.039 6.309 12.213 1.00 0.00 C ATOM 347 C LYS A 24 -2.595 4.796 12.023 1.00 0.00 C ATOM 348 O LYS A 24 -2.129 4.198 13.007 1.00 0.00 O ATOM 349 CB LYS A 24 -3.695 6.665 13.605 1.00 0.00 C ATOM 350 CG LYS A 24 -2.736 6.634 14.809 1.00 0.00 C ATOM 351 CD LYS A 24 -3.331 7.289 16.089 1.00 0.00 C ATOM 352 CE LYS A 24 -2.254 7.580 17.148 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.881 8.251 18.337 1.00 0.00 N ATOM 0 H LYS A 24 -4.971 6.907 11.475 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.070 6.800 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.135 7.660 13.537 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.511 5.967 13.793 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.473 5.599 15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.813 7.148 14.542 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.833 8.218 15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.087 6.629 16.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.772 6.652 17.455 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.478 8.218 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.150 8.446 19.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.321 9.145 18.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.606 7.627 18.745 1.00 0.00 H new ATOM 367 N CYS A 25 -2.703 4.177 10.853 1.00 0.00 N ATOM 368 CA CYS A 25 -2.382 2.745 10.660 1.00 0.00 C ATOM 369 C CYS A 25 -2.328 2.370 9.106 1.00 0.00 C ATOM 370 O CYS A 25 -3.256 2.690 8.354 1.00 0.00 O ATOM 371 CB CYS A 25 -3.421 1.843 11.381 1.00 0.00 C ATOM 372 SG CYS A 25 -2.913 0.069 11.143 1.00 0.00 S ATOM 0 H CYS A 25 -3.015 4.644 10.002 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.398 2.569 11.095 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.465 2.087 12.442 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.418 2.011 10.974 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.025 -0.250 9.888 1.00 0.00 H new ATOM 378 N TYR A 26 -1.368 1.540 8.699 1.00 0.00 N ATOM 379 CA TYR A 26 -1.319 0.899 7.330 1.00 0.00 C ATOM 380 C TYR A 26 -2.581 0.090 6.925 1.00 0.00 C ATOM 381 O TYR A 26 -3.210 -0.593 7.741 1.00 0.00 O ATOM 382 CB TYR A 26 -0.109 -0.079 7.355 1.00 0.00 C ATOM 383 CG TYR A 26 1.288 0.552 7.314 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.837 0.991 6.106 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.048 0.628 8.486 1.00 0.00 C ATOM 386 CE1 TYR A 26 3.131 1.506 6.073 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.340 1.143 8.450 1.00 0.00 C ATOM 388 CZ TYR A 26 3.880 1.582 7.243 1.00 0.00 C ATOM 389 OH TYR A 26 5.148 2.090 7.207 1.00 0.00 O ATOM 0 H TYR A 26 -0.584 1.274 9.294 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.244 1.703 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.181 -0.687 8.257 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.201 -0.756 6.506 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.257 0.931 5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.631 0.286 9.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.553 1.846 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.924 1.202 9.357 1.00 0.00 H new ATOM 0 HH TYR A 26 5.244 2.676 6.427 1.00 0.00 H new ATOM 399 N CYS A 27 -2.927 0.195 5.630 1.00 0.00 N ATOM 400 CA CYS A 27 -4.157 -0.421 5.012 1.00 0.00 C ATOM 401 C CYS A 27 -5.586 0.034 5.565 1.00 0.00 C ATOM 402 O CYS A 27 -6.301 0.796 4.896 1.00 0.00 O ATOM 403 CB CYS A 27 -4.043 -1.925 4.846 1.00 0.00 C ATOM 404 SG CYS A 27 -5.197 -2.538 3.580 1.00 0.00 S ATOM 0 H CYS A 27 -2.364 0.714 4.957 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.152 0.035 4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.022 -2.186 4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.249 -2.415 5.798 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.557 -3.298 2.742 1.00 0.00 H new ATOM 410 N LYS A 28 -6.061 -0.442 6.732 1.00 0.00 N ATOM 411 CA LYS A 28 -7.196 0.210 7.502 1.00 0.00 C ATOM 412 C LYS A 28 -8.556 0.477 6.743 1.00 0.00 C ATOM 413 O LYS A 28 -8.746 1.524 6.102 1.00 0.00 O ATOM 414 CB LYS A 28 -6.670 1.492 8.239 1.00 0.00 C ATOM 415 CG LYS A 28 -7.175 1.744 9.695 1.00 0.00 C ATOM 416 CD LYS A 28 -8.665 1.913 9.979 1.00 0.00 C ATOM 417 CE LYS A 28 -9.275 3.272 9.657 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.615 3.391 8.197 1.00 0.00 N ATOM 0 H LYS A 28 -5.690 -1.278 7.183 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.501 -0.556 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.581 1.443 8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.936 2.360 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.823 0.913 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.674 2.641 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.207 1.155 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.835 1.706 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.175 3.419 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.576 4.061 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.313 4.322 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.126 2.644 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.642 3.290 8.070 1.00 0.00 H new ATOM 432 N LYS A 29 -9.546 -0.425 6.878 1.00 0.00 N ATOM 433 CA LYS A 29 -10.920 -0.245 6.246 1.00 0.00 C ATOM 434 C LYS A 29 -11.757 0.902 6.937 1.00 0.00 C ATOM 435 O LYS A 29 -11.742 1.075 8.161 1.00 0.00 O ATOM 436 CB LYS A 29 -11.616 -1.626 6.341 1.00 0.00 C ATOM 437 CG LYS A 29 -12.908 -1.917 5.535 1.00 0.00 C ATOM 438 CD LYS A 29 -14.193 -1.645 6.342 1.00 0.00 C ATOM 439 CE LYS A 29 -15.438 -1.848 5.432 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.690 -1.414 6.134 1.00 0.00 N ATOM 0 H LYS A 29 -9.448 -1.289 7.411 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.832 0.077 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.881 -2.377 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.848 -1.797 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.914 -1.303 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.902 -2.958 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.244 -2.316 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.179 -0.628 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.317 -1.278 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.520 -2.898 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.505 -1.543 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.823 -1.987 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.611 -0.411 6.397 1.00 0.00 H new ATOM 454 N CYS A 30 -12.509 1.679 6.115 1.00 0.00 N ATOM 455 CA CYS A 30 -13.671 2.515 6.567 1.00 0.00 C ATOM 456 C CYS A 30 -15.092 2.081 5.936 1.00 0.00 C ATOM 457 O CYS A 30 -15.837 1.384 6.590 1.00 0.00 O ATOM 458 CB CYS A 30 -13.314 4.007 6.486 1.00 0.00 C ATOM 459 SG CYS A 30 -14.786 4.964 7.028 1.00 0.00 S ATOM 0 H CYS A 30 -12.332 1.749 5.113 1.00 0.00 H new ATOM 0 HA CYS A 30 -13.850 2.309 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.457 4.230 7.122 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.035 4.279 5.468 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.521 6.236 6.975 1.00 0.00 H new ATOM 465 N CYS A 31 -15.595 2.325 4.741 1.00 0.00 N ATOM 466 CA CYS A 31 -14.824 2.798 3.594 1.00 0.00 C ATOM 467 C CYS A 31 -14.082 1.659 2.799 1.00 0.00 C ATOM 468 O CYS A 31 -13.830 0.533 3.280 1.00 0.00 O ATOM 469 CB CYS A 31 -15.876 3.595 2.781 1.00 0.00 C ATOM 470 SG CYS A 31 -16.972 2.438 1.831 1.00 0.00 S ATOM 0 H CYS A 31 -16.584 2.197 4.529 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.972 3.416 3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.478 4.206 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.374 4.277 2.094 1.00 0.00 H new ATOM 0 HG CYS A 31 -17.848 3.124 1.158 1.00 0.00 H new ATOM 476 N TYR A 32 -13.628 1.974 1.558 1.00 0.00 N ATOM 477 CA TYR A 32 -13.065 0.986 0.602 1.00 0.00 C ATOM 478 C TYR A 32 -11.616 0.486 0.906 1.00 0.00 C ATOM 479 O TYR A 32 -10.650 1.254 0.922 1.00 0.00 O ATOM 480 CB TYR A 32 -13.074 1.589 -0.833 1.00 0.00 C ATOM 481 CG TYR A 32 -12.593 0.676 -1.967 1.00 0.00 C ATOM 482 CD1 TYR A 32 -11.229 0.530 -2.236 1.00 0.00 C ATOM 483 CD2 TYR A 32 -13.521 -0.104 -2.664 1.00 0.00 C ATOM 484 CE1 TYR A 32 -10.800 -0.391 -3.188 1.00 0.00 C ATOM 485 CE2 TYR A 32 -13.089 -1.024 -3.615 1.00 0.00 C ATOM 486 CZ TYR A 32 -11.729 -1.166 -3.876 1.00 0.00 C ATOM 487 OH TYR A 32 -11.303 -2.071 -4.807 1.00 0.00 O ATOM 0 H TYR A 32 -13.643 2.926 1.191 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.711 0.114 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.091 1.908 -1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.452 2.484 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.507 1.132 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -14.576 0.008 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.746 -0.504 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.808 -1.627 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.356 -1.671 -5.700 1.00 0.00 H new ATOM 497 N HIS A 33 -11.449 -0.820 1.164 1.00 0.00 N ATOM 498 CA HIS A 33 -10.459 -1.603 0.371 1.00 0.00 C ATOM 499 C HIS A 33 -10.890 -3.112 0.421 1.00 0.00 C ATOM 500 O HIS A 33 -10.883 -3.769 1.449 1.00 0.00 O ATOM 501 CB HIS A 33 -9.017 -1.442 0.881 1.00 0.00 C ATOM 502 CG HIS A 33 -8.020 -2.143 0.005 1.00 0.00 C ATOM 503 ND1 HIS A 33 -7.726 -3.504 0.032 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.537 -1.541 -1.149 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.076 -3.622 -1.141 1.00 0.00 C ATOM 506 NE2 HIS A 33 -6.917 -2.505 -1.902 1.00 0.00 N ATOM 0 H HIS A 33 -11.954 -1.346 1.877 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.458 -1.225 -0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.769 -0.382 0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.947 -1.836 1.895 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.941 -4.209 0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.633 -0.497 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.691 -4.576 -1.469 1.00 0.00 H new ATOM 515 N CYS A 34 -11.328 -3.657 -0.720 1.00 0.00 N ATOM 516 CA CYS A 34 -11.619 -5.090 -1.007 1.00 0.00 C ATOM 517 C CYS A 34 -10.360 -6.032 -0.966 1.00 0.00 C ATOM 518 O CYS A 34 -9.477 -5.965 -1.824 1.00 0.00 O ATOM 519 CB CYS A 34 -12.270 -5.114 -2.432 1.00 0.00 C ATOM 520 SG CYS A 34 -12.683 -6.804 -2.857 1.00 0.00 S ATOM 0 H CYS A 34 -11.506 -3.073 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.273 -5.482 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -13.165 -4.493 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.581 -4.699 -3.168 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.226 -6.834 -4.038 1.00 0.00 H new ATOM 526 N GLN A 35 -10.335 -6.941 0.025 1.00 0.00 N ATOM 527 CA GLN A 35 -9.477 -8.138 0.059 1.00 0.00 C ATOM 528 C GLN A 35 -7.956 -7.927 0.319 1.00 0.00 C ATOM 529 O GLN A 35 -7.546 -7.919 1.479 1.00 0.00 O ATOM 530 CB GLN A 35 -9.904 -9.220 -1.002 1.00 0.00 C ATOM 531 CG GLN A 35 -9.360 -10.650 -0.664 1.00 0.00 C ATOM 532 CD GLN A 35 -10.187 -11.360 0.437 1.00 0.00 C ATOM 533 OE1 GLN A 35 -9.905 -11.160 1.621 1.00 0.00 O ATOM 534 NE2 GLN A 35 -11.102 -12.281 0.110 1.00 0.00 N ATOM 0 H GLN A 35 -10.930 -6.860 0.850 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.699 -8.609 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.992 -9.255 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.541 -8.921 -1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.367 -11.260 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.322 -10.572 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.333 -12.445 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.568 -12.819 0.841 1.00 0.00 H new ATOM 543 N MET A 36 -7.119 -7.762 -0.700 1.00 0.00 N ATOM 544 CA MET A 36 -5.641 -7.829 -0.592 1.00 0.00 C ATOM 545 C MET A 36 -4.984 -6.835 0.414 1.00 0.00 C ATOM 546 O MET A 36 -4.894 -5.691 0.046 1.00 0.00 O ATOM 547 CB MET A 36 -5.186 -9.316 -0.565 1.00 0.00 C ATOM 548 CG MET A 36 -5.435 -10.160 -1.862 1.00 0.00 C ATOM 549 SD MET A 36 -4.841 -11.888 -1.676 1.00 0.00 S ATOM 550 CE MET A 36 -4.926 -12.601 -3.319 1.00 0.00 C ATOM 0 H MET A 36 -7.442 -7.573 -1.649 1.00 0.00 H new ATOM 0 HA MET A 36 -5.207 -7.408 -1.499 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.119 -9.340 -0.345 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.693 -9.810 0.263 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.500 -10.165 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.928 -9.690 -2.704 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.585 -13.636 -3.285 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.955 -12.570 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.289 -12.032 -3.996 1.00 0.00 H new ATOM 560 N CYS A 37 -4.466 -7.235 1.580 1.00 0.00 N ATOM 561 CA CYS A 37 -4.049 -6.321 2.674 1.00 0.00 C ATOM 562 C CYS A 37 -2.694 -5.547 2.384 1.00 0.00 C ATOM 563 O CYS A 37 -2.684 -4.437 1.821 1.00 0.00 O ATOM 564 CB CYS A 37 -4.180 -7.093 4.004 1.00 0.00 C ATOM 565 SG CYS A 37 -4.329 -5.810 5.254 1.00 0.00 S ATOM 0 H CYS A 37 -4.318 -8.219 1.804 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.716 -5.463 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.052 -7.747 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.310 -7.724 4.184 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.584 -4.672 4.680 1.00 0.00 H new ATOM 571 N PHE A 38 -1.521 -6.117 2.737 1.00 0.00 N ATOM 572 CA PHE A 38 -0.196 -5.703 2.159 1.00 0.00 C ATOM 573 C PHE A 38 0.785 -6.955 1.978 1.00 0.00 C ATOM 574 O PHE A 38 1.455 -7.392 2.916 1.00 0.00 O ATOM 575 CB PHE A 38 0.553 -4.587 2.948 1.00 0.00 C ATOM 576 CG PHE A 38 0.133 -3.139 2.649 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.011 -2.698 1.329 1.00 0.00 C ATOM 578 CD2 PHE A 38 0.041 -2.215 3.697 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.208 -1.349 1.062 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.188 -0.870 3.428 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.310 -0.436 2.110 1.00 0.00 C ATOM 0 H PHE A 38 -1.451 -6.870 3.422 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.460 -5.278 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.414 -4.770 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.620 -4.682 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.087 -3.404 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.148 -2.548 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.299 -1.010 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.271 -0.163 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.484 0.609 1.900 1.00 0.00 H new ATOM 591 N ILE A 39 0.844 -7.555 0.799 1.00 0.00 N ATOM 592 CA ILE A 39 1.704 -8.744 0.474 1.00 0.00 C ATOM 593 C ILE A 39 3.014 -8.113 -0.120 1.00 0.00 C ATOM 594 O ILE A 39 3.026 -7.573 -1.236 1.00 0.00 O ATOM 595 CB ILE A 39 1.011 -9.888 -0.310 1.00 0.00 C ATOM 596 CG1 ILE A 39 -0.153 -9.556 -1.298 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.447 -11.012 0.597 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.279 -8.639 -2.449 1.00 0.00 C ATOM 0 H ILE A 39 0.290 -7.240 0.002 1.00 0.00 H new ATOM 0 HA ILE A 39 1.948 -9.342 1.352 1.00 0.00 H new ATOM 0 HB ILE A 39 1.874 -10.182 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.548 -10.485 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.965 -9.081 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.023 -11.777 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.259 -11.458 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.292 -10.592 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.574 -8.446 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.648 -7.696 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.070 -9.122 -3.022 1.00 0.00 H new ATOM 610 N THR A 40 4.114 -8.166 0.644 1.00 0.00 N ATOM 611 CA THR A 40 5.325 -7.368 0.330 1.00 0.00 C ATOM 612 C THR A 40 6.216 -7.895 -0.865 1.00 0.00 C ATOM 613 O THR A 40 7.270 -8.512 -0.662 1.00 0.00 O ATOM 614 CB THR A 40 6.207 -7.061 1.603 1.00 0.00 C ATOM 615 OG1 THR A 40 6.852 -8.258 2.040 1.00 0.00 O ATOM 616 CG2 THR A 40 5.512 -6.554 2.844 1.00 0.00 C ATOM 0 H THR A 40 4.198 -8.746 1.479 1.00 0.00 H new ATOM 0 HA THR A 40 4.901 -6.431 -0.033 1.00 0.00 H new ATOM 0 HB THR A 40 6.855 -6.265 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.178 -8.757 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.248 -6.390 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.005 -5.616 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.781 -7.290 3.178 1.00 0.00 H new ATOM 624 N LYS A 41 5.856 -7.480 -2.062 1.00 0.00 N ATOM 625 CA LYS A 41 6.646 -7.738 -3.299 1.00 0.00 C ATOM 626 C LYS A 41 7.228 -6.447 -3.910 1.00 0.00 C ATOM 627 O LYS A 41 6.713 -5.785 -4.824 1.00 0.00 O ATOM 628 CB LYS A 41 5.798 -8.551 -4.329 1.00 0.00 C ATOM 629 CG LYS A 41 4.258 -8.301 -4.438 1.00 0.00 C ATOM 630 CD LYS A 41 3.795 -6.905 -4.838 1.00 0.00 C ATOM 631 CE LYS A 41 2.275 -6.670 -4.769 1.00 0.00 C ATOM 632 NZ LYS A 41 1.913 -5.374 -5.376 1.00 0.00 N ATOM 0 H LYS A 41 5.003 -6.947 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 41 7.507 -8.345 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.227 -8.373 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.941 -9.608 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.853 -9.009 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.810 -8.540 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.288 -6.178 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.131 -6.707 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.755 -7.476 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.946 -6.694 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.992 -5.062 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.638 -4.666 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.853 -5.479 -6.409 1.00 0.00 H new ATOM 646 N GLY A 42 8.429 -6.067 -3.423 1.00 0.00 N ATOM 647 CA GLY A 42 9.087 -4.817 -3.849 1.00 0.00 C ATOM 648 C GLY A 42 9.794 -4.082 -2.682 1.00 0.00 C ATOM 649 O GLY A 42 9.236 -3.085 -2.252 1.00 0.00 O ATOM 0 H GLY A 42 8.959 -6.606 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.818 -5.043 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.344 -4.154 -4.293 1.00 0.00 H new ATOM 653 N LEU A 43 10.951 -4.574 -2.212 1.00 0.00 N ATOM 654 CA LEU A 43 11.525 -4.121 -0.936 1.00 0.00 C ATOM 655 C LEU A 43 12.323 -2.722 -0.995 1.00 0.00 C ATOM 656 O LEU A 43 13.531 -2.640 -0.734 1.00 0.00 O ATOM 657 CB LEU A 43 12.359 -5.366 -0.395 1.00 0.00 C ATOM 658 CG LEU A 43 11.648 -6.732 -0.059 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.629 -7.866 0.363 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.597 -6.572 1.048 1.00 0.00 C ATOM 0 H LEU A 43 11.505 -5.282 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 43 10.741 -3.845 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.130 -5.580 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.869 -5.040 0.511 1.00 0.00 H new ATOM 0 HG LEU A 43 11.172 -7.024 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.065 -8.774 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.332 -8.059 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.177 -7.560 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.131 -7.536 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.077 -6.205 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.836 -5.861 0.727 1.00 0.00 H new ATOM 672 N GLY A 44 11.618 -1.652 -1.414 1.00 0.00 N ATOM 673 CA GLY A 44 12.197 -0.273 -1.610 1.00 0.00 C ATOM 674 C GLY A 44 12.471 0.508 -0.289 1.00 0.00 C ATOM 675 O GLY A 44 13.617 0.476 0.188 1.00 0.00 O ATOM 0 H GLY A 44 10.623 -1.702 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.131 -0.361 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.513 0.310 -2.226 1.00 0.00 H new ATOM 679 N ILE A 45 11.482 1.192 0.328 1.00 0.00 N ATOM 680 CA ILE A 45 11.395 1.444 1.810 1.00 0.00 C ATOM 681 C ILE A 45 10.019 0.985 2.405 1.00 0.00 C ATOM 682 O ILE A 45 10.041 0.147 3.296 1.00 0.00 O ATOM 683 CB ILE A 45 11.761 2.922 2.255 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.322 3.104 2.068 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.372 3.332 3.733 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.829 4.526 1.899 1.00 0.00 C ATOM 0 H ILE A 45 10.701 1.598 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 45 12.177 0.818 2.240 1.00 0.00 H new ATOM 0 HB ILE A 45 11.161 3.578 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.821 2.665 2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.629 2.527 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.674 4.363 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.294 3.241 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.880 2.675 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.912 4.514 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.372 4.973 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.567 5.113 2.779 1.00 0.00 H new ATOM 698 N SER A 46 8.856 1.537 2.004 1.00 0.00 N ATOM 699 CA SER A 46 7.521 1.307 2.671 1.00 0.00 C ATOM 700 C SER A 46 7.072 -0.205 2.827 1.00 0.00 C ATOM 701 O SER A 46 6.899 -0.706 3.960 1.00 0.00 O ATOM 702 CB SER A 46 6.538 2.307 1.995 1.00 0.00 C ATOM 703 OG SER A 46 6.500 2.261 0.557 1.00 0.00 O ATOM 0 H SER A 46 8.797 2.164 1.202 1.00 0.00 H new ATOM 0 HA SER A 46 7.563 1.526 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.534 2.115 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.807 3.318 2.302 1.00 0.00 H new ATOM 0 HG SER A 46 5.963 1.494 0.268 1.00 0.00 H new ATOM 709 N TYR A 47 7.040 -0.909 1.693 1.00 0.00 N ATOM 710 CA TYR A 47 7.409 -2.370 1.751 1.00 0.00 C ATOM 711 C TYR A 47 8.915 -2.695 2.140 1.00 0.00 C ATOM 712 O TYR A 47 9.906 -2.341 1.491 1.00 0.00 O ATOM 713 CB TYR A 47 7.139 -2.964 0.338 1.00 0.00 C ATOM 714 CG TYR A 47 5.674 -3.219 -0.034 1.00 0.00 C ATOM 715 CD1 TYR A 47 4.678 -3.211 0.947 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.374 -3.682 -1.319 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.394 -3.657 0.641 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.091 -4.128 -1.621 1.00 0.00 C ATOM 719 CZ TYR A 47 3.102 -4.115 -0.640 1.00 0.00 C ATOM 720 OH TYR A 47 1.841 -4.549 -0.936 1.00 0.00 O ATOM 0 H TYR A 47 6.785 -0.547 0.774 1.00 0.00 H new ATOM 0 HA TYR A 47 6.807 -2.805 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.565 -2.287 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.680 -3.907 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.904 -2.859 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.141 -3.693 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.625 -3.647 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.862 -4.484 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 47 1.857 -5.516 -1.097 1.00 0.00 H new ATOM 730 N GLY A 48 9.112 -3.400 3.265 1.00 0.00 N ATOM 731 CA GLY A 48 10.450 -3.579 3.913 1.00 0.00 C ATOM 732 C GLY A 48 10.559 -4.438 5.186 1.00 0.00 C ATOM 733 O GLY A 48 9.814 -4.262 6.151 1.00 0.00 O ATOM 0 H GLY A 48 8.355 -3.869 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.120 -4.009 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.834 -2.587 4.152 1.00 0.00 H new ATOM 737 N ARG A 49 11.519 -5.379 5.141 1.00 0.00 N ATOM 738 CA ARG A 49 11.835 -6.269 6.270 1.00 0.00 C ATOM 739 C ARG A 49 12.573 -5.522 7.424 1.00 0.00 C ATOM 740 O ARG A 49 11.911 -5.186 8.414 1.00 0.00 O ATOM 741 CB ARG A 49 12.498 -7.590 5.741 1.00 0.00 C ATOM 742 CG ARG A 49 12.418 -8.755 6.775 1.00 0.00 C ATOM 743 CD ARG A 49 13.056 -10.092 6.315 1.00 0.00 C ATOM 744 NE ARG A 49 12.979 -11.092 7.415 1.00 0.00 N ATOM 745 CZ ARG A 49 13.523 -12.325 7.391 1.00 0.00 C ATOM 746 NH1 ARG A 49 14.105 -12.796 6.323 1.00 0.00 N ATOM 747 NH2 ARG A 49 13.522 -13.047 8.461 1.00 0.00 N ATOM 0 H ARG A 49 12.098 -5.543 4.318 1.00 0.00 H new ATOM 0 HA ARG A 49 10.918 -6.595 6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.006 -7.894 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.543 -7.396 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.906 -8.436 7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.370 -8.935 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.538 -10.468 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.096 -9.930 6.030 1.00 0.00 H new ATOM 0 HE ARG A 49 12.472 -10.821 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.157 -12.227 5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.508 -13.733 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.110 -12.684 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.933 -13.981 8.447 1.00 0.00 H new ATOM 761 N LYS A 50 13.845 -5.127 7.294 1.00 0.00 N ATOM 762 CA LYS A 50 14.480 -4.084 8.146 1.00 0.00 C ATOM 763 C LYS A 50 14.582 -2.677 7.419 1.00 0.00 C ATOM 764 O LYS A 50 15.687 -2.119 7.292 1.00 0.00 O ATOM 765 CB LYS A 50 15.775 -4.665 8.744 1.00 0.00 C ATOM 766 CG LYS A 50 16.553 -3.697 9.723 1.00 0.00 C ATOM 767 CD LYS A 50 17.834 -4.372 10.279 1.00 0.00 C ATOM 768 CE LYS A 50 18.797 -3.318 10.904 1.00 0.00 C ATOM 769 NZ LYS A 50 19.959 -3.971 11.525 1.00 0.00 N ATOM 0 H LYS A 50 14.476 -5.517 6.594 1.00 0.00 H new ATOM 0 HA LYS A 50 13.846 -3.831 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.530 -5.581 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.441 -4.944 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.821 -2.781 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.902 -3.411 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.562 -5.112 11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.345 -4.906 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.133 -2.625 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.263 -2.730 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.586 -3.249 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.636 -4.614 12.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.479 -4.512 10.805 1.00 0.00 H new ATOM 783 N LYS A 51 13.437 -2.112 6.985 1.00 0.00 N ATOM 784 CA LYS A 51 13.290 -0.710 6.467 1.00 0.00 C ATOM 785 C LYS A 51 11.940 -0.095 7.031 1.00 0.00 C ATOM 786 O LYS A 51 11.786 0.153 8.230 1.00 0.00 O ATOM 787 CB LYS A 51 13.439 -0.770 4.863 1.00 0.00 C ATOM 788 CG LYS A 51 14.830 -1.032 4.231 1.00 0.00 C ATOM 789 CD LYS A 51 14.765 -1.196 2.638 1.00 0.00 C ATOM 790 CE LYS A 51 16.107 -1.223 1.936 1.00 0.00 C ATOM 791 NZ LYS A 51 15.826 -1.395 0.459 1.00 0.00 N ATOM 0 H LYS A 51 12.554 -2.623 6.980 1.00 0.00 H new ATOM 0 HA LYS A 51 14.065 -0.026 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.766 -1.547 4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.074 0.177 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.499 -0.208 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.259 -1.934 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.233 -2.118 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.175 -0.376 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.658 -0.300 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.722 -2.041 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.725 -1.470 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.267 -2.260 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.292 -0.574 0.109 1.00 0.00 H new ATOM 805 N ARG A 52 10.910 0.155 6.202 1.00 0.00 N ATOM 806 CA ARG A 52 9.517 0.469 6.576 1.00 0.00 C ATOM 807 C ARG A 52 9.203 1.870 7.238 1.00 0.00 C ATOM 808 O ARG A 52 9.167 2.035 8.457 1.00 0.00 O ATOM 809 CB ARG A 52 8.890 -0.686 7.364 1.00 0.00 C ATOM 810 CG ARG A 52 7.335 -0.689 7.524 1.00 0.00 C ATOM 811 CD ARG A 52 6.821 -2.104 7.912 1.00 0.00 C ATOM 812 NE ARG A 52 6.962 -2.348 9.399 1.00 0.00 N ATOM 813 CZ ARG A 52 7.904 -3.078 9.986 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.897 -3.611 9.331 1.00 0.00 N ATOM 815 NH2 ARG A 52 7.827 -3.318 11.256 1.00 0.00 N ATOM 0 H ARG A 52 11.035 0.143 5.190 1.00 0.00 H new ATOM 0 HA ARG A 52 9.037 0.584 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.180 -1.619 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.331 -0.692 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.042 0.031 8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.869 -0.371 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.775 -2.206 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.380 -2.861 7.362 1.00 0.00 H new ATOM 0 HE ARG A 52 6.269 -1.911 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.975 -3.475 8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.596 -4.164 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.047 -2.947 11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.546 -3.878 11.714 1.00 0.00 H new ATOM 829 N ARG A 53 8.943 2.881 6.401 1.00 0.00 N ATOM 830 CA ARG A 53 8.358 4.234 6.750 1.00 0.00 C ATOM 831 C ARG A 53 7.091 4.583 5.858 1.00 0.00 C ATOM 832 O ARG A 53 6.373 3.642 5.486 1.00 0.00 O ATOM 833 CB ARG A 53 9.492 5.315 6.857 1.00 0.00 C ATOM 834 CG ARG A 53 9.085 6.598 7.709 1.00 0.00 C ATOM 835 CD ARG A 53 10.255 7.565 8.088 1.00 0.00 C ATOM 836 NE ARG A 53 10.496 8.457 6.919 1.00 0.00 N ATOM 837 CZ ARG A 53 11.191 9.602 6.902 1.00 0.00 C ATOM 838 NH1 ARG A 53 11.765 10.131 7.942 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.319 10.202 5.775 1.00 0.00 N ATOM 0 H ARG A 53 9.136 2.800 5.403 1.00 0.00 H new ATOM 0 HA ARG A 53 7.928 4.213 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.374 4.858 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.773 5.632 5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.340 7.162 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.604 6.263 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.998 8.151 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.155 7.001 8.332 1.00 0.00 H new ATOM 0 HE ARG A 53 10.086 8.163 6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.702 9.669 8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.278 11.008 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.899 9.804 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.841 11.077 5.719 1.00 0.00 H new ATOM 853 N GLN A 54 6.645 5.862 5.836 1.00 0.00 N ATOM 854 CA GLN A 54 5.223 6.224 5.517 1.00 0.00 C ATOM 855 C GLN A 54 5.055 7.815 5.375 1.00 0.00 C ATOM 856 O GLN A 54 5.100 8.636 6.311 1.00 0.00 O ATOM 857 CB GLN A 54 4.278 5.663 6.639 1.00 0.00 C ATOM 858 CG GLN A 54 2.799 5.488 6.248 1.00 0.00 C ATOM 859 CD GLN A 54 1.917 4.960 7.387 1.00 0.00 C ATOM 860 OE1 GLN A 54 2.159 5.124 8.589 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.854 4.242 7.111 1.00 0.00 N ATOM 0 H GLN A 54 7.240 6.666 6.034 1.00 0.00 H new ATOM 0 HA GLN A 54 4.949 5.777 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.665 4.697 6.963 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.330 6.332 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.406 6.447 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.735 4.802 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.595 4.067 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.287 3.859 7.867 1.00 0.00 H new ATOM 870 N ARG A 55 4.865 8.264 4.104 1.00 0.00 N ATOM 871 CA ARG A 55 4.803 9.718 3.688 1.00 0.00 C ATOM 872 C ARG A 55 3.521 10.064 2.828 1.00 0.00 C ATOM 873 O ARG A 55 3.132 9.325 1.924 1.00 0.00 O ATOM 874 CB ARG A 55 6.132 10.022 2.923 1.00 0.00 C ATOM 875 CG ARG A 55 6.474 11.558 2.729 1.00 0.00 C ATOM 876 CD ARG A 55 7.886 11.733 2.163 1.00 0.00 C ATOM 877 NE ARG A 55 8.145 13.135 1.741 1.00 0.00 N ATOM 878 CZ ARG A 55 9.184 13.545 1.044 1.00 0.00 C ATOM 879 NH1 ARG A 55 10.145 12.785 0.657 1.00 0.00 N ATOM 880 NH2 ARG A 55 9.235 14.768 0.618 1.00 0.00 N ATOM 0 H ARG A 55 4.747 7.626 3.317 1.00 0.00 H new ATOM 0 HA ARG A 55 4.709 10.354 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.955 9.550 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.080 9.553 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.748 12.015 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.393 12.077 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.618 11.440 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.021 11.067 1.311 1.00 0.00 H new ATOM 0 HE ARG A 55 7.459 13.839 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.134 11.792 0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.919 13.175 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.471 15.412 0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.039 15.087 0.078 1.00 0.00 H new ATOM 894 N ARG A 56 2.818 11.168 3.177 1.00 0.00 N ATOM 895 CA ARG A 56 1.472 11.485 2.678 1.00 0.00 C ATOM 896 C ARG A 56 1.328 12.934 2.042 1.00 0.00 C ATOM 897 O ARG A 56 1.408 13.929 2.764 1.00 0.00 O ATOM 898 CB ARG A 56 0.471 11.284 3.848 1.00 0.00 C ATOM 899 CG ARG A 56 -1.028 11.737 3.665 1.00 0.00 C ATOM 900 CD ARG A 56 -1.467 13.100 4.324 1.00 0.00 C ATOM 901 NE ARG A 56 -2.807 13.529 3.841 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.012 14.273 2.786 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.108 14.871 2.074 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.219 14.417 2.437 1.00 0.00 N ATOM 0 H ARG A 56 3.181 11.869 3.823 1.00 0.00 H new ATOM 0 HA ARG A 56 1.257 10.808 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.465 10.223 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.869 11.811 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.231 11.801 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.667 10.950 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.487 12.992 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.732 13.871 4.094 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.623 13.221 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.123 14.782 2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.382 15.430 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.962 13.965 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.450 14.985 1.622 1.00 0.00 H new ATOM 918 N ARG A 57 1.071 12.978 0.726 1.00 0.00 N ATOM 919 CA ARG A 57 1.148 14.210 -0.128 1.00 0.00 C ATOM 920 C ARG A 57 -0.214 14.596 -0.864 1.00 0.00 C ATOM 921 O ARG A 57 -0.662 15.698 -0.592 1.00 0.00 O ATOM 922 CB ARG A 57 2.389 14.043 -1.041 1.00 0.00 C ATOM 923 CG ARG A 57 2.976 15.282 -1.699 1.00 0.00 C ATOM 924 CD ARG A 57 2.270 15.617 -3.057 1.00 0.00 C ATOM 925 NE ARG A 57 3.175 16.511 -3.790 1.00 0.00 N ATOM 926 CZ ARG A 57 2.866 17.582 -4.500 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.648 18.045 -4.589 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.835 18.141 -5.157 1.00 0.00 N ATOM 0 H ARG A 57 0.797 12.149 0.199 1.00 0.00 H new ATOM 0 HA ARG A 57 1.282 15.096 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.177 13.577 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.127 13.340 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.881 16.131 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.041 15.130 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.076 14.709 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.307 16.097 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 57 4.167 16.276 -3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.887 17.576 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.458 18.876 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.776 17.751 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.656 18.971 -5.722 1.00 0.00 H new ATOM 942 N PRO A 58 -0.872 13.867 -1.812 1.00 0.00 N ATOM 943 CA PRO A 58 -2.200 14.299 -2.414 1.00 0.00 C ATOM 944 C PRO A 58 -3.486 14.241 -1.483 1.00 0.00 C ATOM 945 O PRO A 58 -3.341 13.772 -0.324 1.00 0.00 O ATOM 946 CB PRO A 58 -2.286 13.284 -3.596 1.00 0.00 C ATOM 947 CG PRO A 58 -1.501 12.035 -3.133 1.00 0.00 C ATOM 948 CD PRO A 58 -0.321 12.641 -2.438 1.00 0.00 C ATOM 0 HA PRO A 58 -2.209 15.361 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.322 13.033 -3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.854 13.703 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.091 11.409 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.201 11.408 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.096 11.964 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.480 12.875 -3.139 1.00 0.00 H new ATOM 956 N PRO A 59 -4.744 14.633 -1.921 1.00 0.00 N ATOM 957 CA PRO A 59 -5.996 14.330 -1.126 1.00 0.00 C ATOM 958 C PRO A 59 -6.373 12.975 -0.397 1.00 0.00 C ATOM 959 O PRO A 59 -6.448 13.012 0.832 1.00 0.00 O ATOM 960 CB PRO A 59 -7.103 15.015 -1.975 1.00 0.00 C ATOM 961 CG PRO A 59 -6.369 16.001 -2.888 1.00 0.00 C ATOM 962 CD PRO A 59 -4.975 15.475 -3.162 1.00 0.00 C ATOM 0 HA PRO A 59 -5.792 14.684 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.661 14.282 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.822 15.531 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.915 16.126 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.315 16.982 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.928 14.885 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.242 16.276 -3.261 1.00 0.00 H new ATOM 970 N GLN A 60 -6.652 11.752 -0.911 1.00 0.00 N ATOM 971 CA GLN A 60 -6.573 11.323 -2.363 1.00 0.00 C ATOM 972 C GLN A 60 -7.481 10.070 -2.579 1.00 0.00 C ATOM 973 O GLN A 60 -7.696 9.230 -1.696 1.00 0.00 O ATOM 974 CB GLN A 60 -5.118 10.903 -2.666 1.00 0.00 C ATOM 975 CG GLN A 60 -4.756 10.601 -4.173 1.00 0.00 C ATOM 976 CD GLN A 60 -5.114 11.606 -5.247 1.00 0.00 C ATOM 977 OE1 GLN A 60 -5.772 12.612 -5.019 1.00 0.00 O ATOM 978 NE2 GLN A 60 -4.780 11.323 -6.477 1.00 0.00 N ATOM 0 H GLN A 60 -6.955 10.987 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.893 12.142 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.457 11.693 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.894 10.012 -2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.679 10.441 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.232 9.657 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.232 10.487 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.067 11.938 -7.238 1.00 0.00 H new ATOM 987 N GLY A 61 -7.997 9.953 -3.822 1.00 0.00 N ATOM 988 CA GLY A 61 -8.625 8.711 -4.348 1.00 0.00 C ATOM 989 C GLY A 61 -7.634 7.582 -4.624 1.00 0.00 C ATOM 990 O GLY A 61 -7.496 6.662 -3.814 1.00 0.00 O ATOM 0 H GLY A 61 -7.992 10.719 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.369 8.361 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.157 8.947 -5.270 1.00 0.00 H new ATOM 994 N ASN A 62 -6.835 7.739 -5.699 1.00 0.00 N ATOM 995 CA ASN A 62 -5.907 6.653 -6.139 1.00 0.00 C ATOM 996 C ASN A 62 -4.827 6.243 -5.064 1.00 0.00 C ATOM 997 O ASN A 62 -4.831 5.074 -4.676 1.00 0.00 O ATOM 998 CB ASN A 62 -5.202 6.929 -7.476 1.00 0.00 C ATOM 999 CG ASN A 62 -5.901 7.662 -8.583 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.950 8.887 -8.519 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -6.157 7.023 -9.680 1.00 0.00 N ATOM 0 H ASN A 62 -6.805 8.582 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.587 5.812 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.293 7.486 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.892 5.965 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.408 7.538 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.108 6.004 -9.700 1.00 0.00 H new ATOM 1008 N GLN A 63 -4.024 7.187 -4.472 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.214 6.943 -3.204 1.00 0.00 C ATOM 1010 C GLN A 63 -3.948 6.496 -1.890 1.00 0.00 C ATOM 1011 O GLN A 63 -3.345 6.226 -0.866 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.263 8.126 -2.972 1.00 0.00 C ATOM 1013 CG GLN A 63 -1.039 7.854 -2.096 1.00 0.00 C ATOM 1014 CD GLN A 63 0.003 8.998 -1.947 1.00 0.00 C ATOM 1015 OE1 GLN A 63 0.164 9.656 -0.919 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.840 9.147 -2.942 1.00 0.00 N ATOM 0 H GLN A 63 -3.913 8.130 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.673 6.023 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.916 8.481 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.832 8.938 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.391 7.587 -1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.525 6.981 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.716 8.607 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.617 9.803 -2.861 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.272 6.448 -1.824 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.057 5.597 -0.889 1.00 0.00 C ATOM 1027 C ALA A 64 -6.554 4.177 -1.444 1.00 0.00 C ATOM 1028 O ALA A 64 -6.719 3.232 -0.657 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.269 6.417 -0.431 1.00 0.00 C ATOM 0 H ALA A 64 -5.865 7.012 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.373 5.333 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.870 5.824 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.927 7.322 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.872 6.689 -1.297 1.00 0.00 H new ATOM 1035 N HIS A 65 -6.915 4.053 -2.732 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.364 2.756 -3.374 1.00 0.00 C ATOM 1037 C HIS A 65 -6.183 1.803 -3.864 1.00 0.00 C ATOM 1038 O HIS A 65 -6.012 0.705 -3.344 1.00 0.00 O ATOM 1039 CB HIS A 65 -8.369 3.076 -4.582 1.00 0.00 C ATOM 1040 CG HIS A 65 -9.765 3.445 -4.174 1.00 0.00 C ATOM 1041 ND1 HIS A 65 -10.937 2.954 -4.744 1.00 0.00 N ATOM 1042 CD2 HIS A 65 -10.006 4.581 -3.413 1.00 0.00 C ATOM 1043 CE1 HIS A 65 -11.819 3.853 -4.265 1.00 0.00 C ATOM 1044 NE2 HIS A 65 -11.348 4.853 -3.471 1.00 0.00 N ATOM 0 H HIS A 65 -6.912 4.840 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.869 2.192 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.953 3.892 -5.172 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.417 2.204 -5.234 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 1053 N GLN A 66 -5.446 2.300 -4.854 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.382 1.656 -5.711 1.00 0.00 C ATOM 1055 C GLN A 66 -3.145 0.943 -5.075 1.00 0.00 C ATOM 1056 O GLN A 66 -2.603 1.505 -4.134 1.00 0.00 O ATOM 1057 CB GLN A 66 -4.005 2.826 -6.661 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.186 2.608 -7.943 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.760 3.911 -8.593 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -3.489 4.573 -9.318 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.541 4.372 -8.452 1.00 0.00 N ATOM 0 H GLN A 66 -5.573 3.274 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.793 0.754 -6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.940 3.298 -6.963 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.459 3.554 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.301 2.017 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.777 2.029 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.873 3.875 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.261 5.227 -8.932 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.671 -0.204 -5.643 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.259 -0.671 -5.456 1.00 0.00 C ATOM 1072 C ASP A 67 -0.310 -0.219 -6.620 1.00 0.00 C ATOM 1073 O ASP A 67 0.718 0.353 -6.195 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.228 -2.258 -5.317 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.631 -2.933 -4.074 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.458 -2.260 -3.049 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.166 -4.096 -4.137 1.00 0.00 O ATOM 0 H ASP A 67 -3.237 -0.818 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.887 -0.207 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.257 -2.606 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.686 -2.643 -6.181 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.515 -0.464 -7.957 1.00 0.00 N ATOM 1083 CA PRO A 68 0.561 -0.130 -8.947 1.00 0.00 C ATOM 1084 C PRO A 68 0.358 1.281 -9.640 1.00 0.00 C ATOM 1085 O PRO A 68 0.371 2.300 -8.960 1.00 0.00 O ATOM 1086 CB PRO A 68 0.385 -1.445 -9.762 1.00 0.00 C ATOM 1087 CG PRO A 68 -1.130 -1.710 -9.871 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.644 -1.255 -8.515 1.00 0.00 C ATOM 0 HA PRO A 68 1.585 0.059 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.831 -1.348 -10.752 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.887 -2.276 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.583 -1.146 -10.686 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.345 -2.763 -10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.547 -0.652 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.893 -2.102 -7.876 1.00 0.00 H new ATOM 1096 N LEU A 69 0.306 1.354 -10.980 1.00 0.00 N ATOM 1097 CA LEU A 69 0.072 2.614 -11.722 1.00 0.00 C ATOM 1098 C LEU A 69 -0.891 2.433 -12.949 1.00 0.00 C ATOM 1099 O LEU A 69 -1.874 3.210 -12.972 1.00 0.00 O ATOM 1100 CB LEU A 69 1.341 3.406 -12.176 1.00 0.00 C ATOM 1101 CG LEU A 69 2.217 4.060 -11.074 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.543 4.509 -11.731 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.503 5.252 -10.407 1.00 0.00 C ATOM 0 H LEU A 69 0.425 0.542 -11.585 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.405 3.229 -10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.973 2.727 -12.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.019 4.192 -12.859 1.00 0.00 H new ATOM 0 HG LEU A 69 2.409 3.336 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.182 4.974 -10.980 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.051 3.642 -12.154 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.332 5.228 -12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.150 5.682 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.278 6.009 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.575 4.910 -9.948 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.712 1.557 -14.016 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.583 1.573 -15.227 1.00 0.00 C ATOM 1117 C PRO A 70 -2.925 0.820 -15.071 1.00 0.00 C ATOM 1118 O PRO A 70 -3.048 -0.136 -14.310 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.684 0.977 -16.364 1.00 0.00 C ATOM 1120 CG PRO A 70 0.193 -0.029 -15.554 1.00 0.00 C ATOM 1121 CD PRO A 70 0.383 0.559 -14.162 1.00 0.00 C ATOM 0 HA PRO A 70 -1.918 2.587 -15.443 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.271 0.482 -17.137 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.085 1.741 -16.859 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.292 -1.003 -15.497 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.156 -0.180 -16.042 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.319 -0.213 -13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.362 1.028 -14.061 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.877 1.175 -15.929 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.165 0.460 -16.075 1.00 0.00 C ATOM 1131 C GLU A 71 -5.091 -1.022 -16.664 1.00 0.00 C ATOM 1132 O GLU A 71 -5.714 -1.353 -17.684 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.200 1.391 -16.813 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.737 2.090 -18.112 1.00 0.00 C ATOM 1135 CD GLU A 71 -5.036 3.430 -17.978 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.830 3.472 -17.590 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.690 4.456 -18.300 1.00 0.00 O ATOM 0 H GLU A 71 -3.786 1.975 -16.555 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.520 0.261 -15.064 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.080 0.793 -17.049 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.517 2.163 -16.111 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.066 1.411 -18.638 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.611 2.230 -18.748 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.444 -1.993 -15.971 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.143 -3.335 -16.565 1.00 0.00 C ATOM 1146 C GLN A 72 -4.318 -4.497 -15.487 1.00 0.00 C ATOM 1147 O GLN A 72 -3.362 -4.808 -14.804 1.00 0.00 O ATOM 1148 CB GLN A 72 -2.689 -3.303 -17.196 1.00 0.00 C ATOM 1149 CG GLN A 72 -2.419 -2.384 -18.420 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.029 -2.436 -19.011 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.094 -2.989 -18.472 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -0.768 -1.893 -20.165 1.00 0.00 N ATOM 0 H GLN A 72 -4.121 -1.881 -15.010 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.857 -3.555 -17.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.994 -3.013 -16.407 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.434 -4.322 -17.487 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.132 -2.641 -19.203 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.626 -1.355 -18.126 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.504 -1.410 -20.679 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.173 -1.951 -20.555 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.499 -5.101 -15.246 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.716 -6.037 -14.107 1.00 0.00 C ATOM 1163 C PRO A 73 -5.019 -7.481 -14.262 1.00 0.00 C ATOM 1164 O PRO A 73 -5.480 -8.398 -14.953 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.252 -6.095 -14.058 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.740 -5.823 -15.443 1.00 0.00 C ATOM 1167 CD PRO A 73 -6.695 -4.907 -16.060 1.00 0.00 C ATOM 0 HA PRO A 73 -5.248 -5.696 -13.184 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.591 -7.072 -13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.644 -5.357 -13.358 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.841 -6.746 -16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.721 -5.348 -15.429 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.510 -5.165 -17.103 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.021 -3.867 -16.042 1.00 0.00 H new ATOM 1175 N SER A 74 -3.910 -7.706 -13.537 1.00 0.00 N ATOM 1176 CA SER A 74 -3.243 -9.060 -13.348 1.00 0.00 C ATOM 1177 C SER A 74 -2.323 -9.022 -12.044 1.00 0.00 C ATOM 1178 O SER A 74 -2.890 -8.788 -10.986 1.00 0.00 O ATOM 1179 CB SER A 74 -2.558 -9.541 -14.702 1.00 0.00 C ATOM 1180 OG SER A 74 -1.755 -10.742 -14.529 1.00 0.00 O ATOM 0 H SER A 74 -3.423 -6.956 -13.046 1.00 0.00 H new ATOM 0 HA SER A 74 -3.972 -9.845 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.330 -9.729 -15.448 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.928 -8.741 -15.090 1.00 0.00 H new ATOM 0 HG SER A 74 -1.358 -10.997 -15.388 1.00 0.00 H new ATOM 1186 N SER A 75 -1.007 -9.246 -12.133 1.00 0.00 N ATOM 1187 CA SER A 75 -0.026 -9.123 -11.025 1.00 0.00 C ATOM 1188 C SER A 75 1.371 -8.621 -11.466 1.00 0.00 C ATOM 1189 O SER A 75 1.680 -8.640 -12.659 1.00 0.00 O ATOM 1190 CB SER A 75 0.047 -10.505 -10.257 1.00 0.00 C ATOM 1191 OG SER A 75 0.782 -11.494 -10.933 1.00 0.00 O ATOM 0 H SER A 75 -0.569 -9.530 -13.009 1.00 0.00 H new ATOM 0 HA SER A 75 -0.381 -8.343 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.493 -10.341 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.966 -10.870 -10.089 1.00 0.00 H new ATOM 0 HG SER A 75 0.787 -12.318 -10.402 1.00 0.00 H new ATOM 1197 N GLN A 76 2.173 -8.111 -10.502 1.00 0.00 N ATOM 1198 CA GLN A 76 3.502 -7.491 -10.737 1.00 0.00 C ATOM 1199 C GLN A 76 3.484 -6.184 -11.599 1.00 0.00 C ATOM 1200 O GLN A 76 3.767 -6.109 -12.782 1.00 0.00 O ATOM 1201 CB GLN A 76 4.587 -8.565 -11.085 1.00 0.00 C ATOM 1202 CG GLN A 76 6.028 -8.102 -11.175 1.00 0.00 C ATOM 1203 CD GLN A 76 7.003 -9.264 -11.324 1.00 0.00 C ATOM 1204 OE1 GLN A 76 7.570 -9.747 -10.361 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.258 -9.727 -12.498 1.00 0.00 N ATOM 0 H GLN A 76 1.910 -8.118 -9.517 1.00 0.00 H new ATOM 0 HA GLN A 76 3.832 -7.075 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.533 -9.353 -10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.319 -9.017 -12.040 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.138 -7.428 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.280 -7.532 -10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.791 -9.333 -13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.927 -10.488 -12.612 1.00 0.00 H new ATOM 1214 N HIS A 77 3.110 -5.100 -10.956 1.00 0.00 N ATOM 1215 CA HIS A 77 2.766 -3.775 -11.570 1.00 0.00 C ATOM 1216 C HIS A 77 1.567 -3.721 -12.613 1.00 0.00 C ATOM 1217 O HIS A 77 1.667 -3.046 -13.635 1.00 0.00 O ATOM 1218 CB HIS A 77 3.988 -3.021 -12.120 1.00 0.00 C ATOM 1219 CG HIS A 77 3.775 -1.535 -12.149 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.603 -0.715 -11.036 1.00 0.00 N ATOM 1221 CD2 HIS A 77 3.695 -0.812 -13.331 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.435 0.472 -11.650 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.471 0.501 -13.010 1.00 0.00 N ATOM 0 H HIS A 77 3.024 -5.087 -9.940 1.00 0.00 H new ATOM 0 HA HIS A 77 2.375 -3.256 -10.695 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.859 -3.249 -11.506 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.207 -3.374 -13.128 1.00 0.00 H new ATOM 0 HD1 HIS A 77 3.604 -0.947 -10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.792 -1.214 -14.329 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.276 1.375 -11.079 1.00 0.00 H new ATOM 1232 N ARG A 78 0.467 -4.393 -12.303 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.683 -4.640 -13.175 1.00 0.00 C ATOM 1234 C ARG A 78 -1.953 -4.385 -12.262 1.00 0.00 C ATOM 1235 O ARG A 78 -2.613 -3.393 -12.501 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.607 -6.073 -13.772 1.00 0.00 C ATOM 1237 CG ARG A 78 0.538 -6.520 -14.694 1.00 0.00 C ATOM 1238 CD ARG A 78 0.616 -5.801 -16.073 1.00 0.00 C ATOM 1239 NE ARG A 78 1.516 -6.539 -17.005 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.267 -6.671 -18.301 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.504 -5.915 -19.029 1.00 0.00 N ATOM 1242 NH2 ARG A 78 1.884 -7.630 -18.919 1.00 0.00 N ATOM 0 H ARG A 78 0.342 -4.808 -11.380 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.719 -3.985 -14.046 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.617 -6.764 -12.929 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.533 -6.231 -14.325 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.482 -6.366 -14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.442 -7.592 -14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.381 -5.727 -16.506 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.981 -4.783 -15.937 1.00 0.00 H new ATOM 0 HE ARG A 78 2.364 -6.963 -16.628 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.021 -5.121 -18.608 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.387 -6.114 -20.022 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.524 -8.238 -18.408 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.729 -7.777 -19.916 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.320 -5.289 -11.302 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.510 -5.095 -10.411 1.00 0.00 C ATOM 1258 C GLY A 79 -3.307 -5.460 -8.938 1.00 0.00 C ATOM 1259 O GLY A 79 -4.044 -6.270 -8.379 1.00 0.00 O ATOM 0 H GLY A 79 -1.811 -6.155 -11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.816 -4.050 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.334 -5.691 -10.803 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.259 -4.882 -8.286 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.515 -5.518 -7.154 1.00 0.00 C ATOM 1265 C ASP A 80 -2.182 -6.027 -5.825 1.00 0.00 C ATOM 1266 O ASP A 80 -1.589 -6.816 -5.058 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.489 -6.505 -7.799 1.00 0.00 C ATOM 1268 CG ASP A 80 0.544 -5.812 -8.700 1.00 0.00 C ATOM 1269 OD1 ASP A 80 1.516 -5.250 -8.125 1.00 0.00 O ATOM 1270 OD2 ASP A 80 0.402 -5.876 -9.945 1.00 0.00 O ATOM 0 H ASP A 80 -1.903 -3.958 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.087 -4.662 -6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.033 -7.042 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.030 -7.248 -8.385 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.340 -5.476 -5.501 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.106 -5.761 -4.246 1.00 0.00 C ATOM 1277 C HIS A 81 -5.669 -5.433 -4.192 1.00 0.00 C ATOM 1278 O HIS A 81 -6.309 -6.100 -3.360 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.406 -5.245 -2.977 1.00 0.00 C ATOM 1280 CG HIS A 81 -3.732 -3.808 -2.691 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.074 -2.846 -3.638 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -3.416 -3.229 -1.470 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -3.940 -1.732 -2.894 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -3.549 -1.871 -1.598 1.00 0.00 N ATOM 0 H HIS A 81 -3.806 -4.797 -6.103 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.089 -6.850 -4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.702 -5.859 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.327 -5.355 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.118 -3.756 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.137 -0.756 -3.313 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.394 -1.146 -0.897 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.372 -4.488 -4.920 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.868 -4.307 -4.809 1.00 0.00 C ATOM 1295 C PRO A 82 -8.641 -5.045 -5.937 1.00 0.00 C ATOM 1296 O PRO A 82 -8.068 -5.770 -6.774 1.00 0.00 O ATOM 1297 CB PRO A 82 -7.960 -2.748 -4.858 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.526 -2.251 -5.151 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.775 -3.433 -5.757 1.00 0.00 C ATOM 0 HA PRO A 82 -8.331 -4.738 -3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.653 -2.421 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.327 -2.348 -3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.541 -1.406 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.039 -1.909 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.974 -3.567 -6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.694 -3.357 -5.642 1.00 0.00 H new ATOM 1307 N THR A 83 -9.926 -4.651 -6.122 1.00 0.00 N ATOM 1308 CA THR A 83 -10.511 -4.530 -7.484 1.00 0.00 C ATOM 1309 C THR A 83 -10.271 -3.016 -7.919 1.00 0.00 C ATOM 1310 O THR A 83 -11.006 -2.132 -7.453 1.00 0.00 O ATOM 1311 CB THR A 83 -12.027 -4.940 -7.415 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.084 -6.309 -7.060 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.757 -4.887 -8.746 1.00 0.00 C ATOM 0 H THR A 83 -10.566 -4.416 -5.364 1.00 0.00 H new ATOM 0 HA THR A 83 -10.057 -5.187 -8.226 1.00 0.00 H new ATOM 0 HB THR A 83 -12.489 -4.241 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.020 -6.595 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.796 -5.185 -8.603 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.722 -3.871 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.278 -5.566 -9.451 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.131 -2.783 -8.506 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.559 -1.405 -8.658 1.00 0.00 C ATOM 1323 C GLY A 84 -7.120 -1.448 -9.181 1.00 0.00 C ATOM 1324 O GLY A 84 -6.190 -1.563 -8.353 1.00 0.00 O ATOM 0 H GLY A 84 -8.546 -3.518 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.179 -0.826 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.582 -0.892 -7.696 1.00 0.00 H new ATOM 1328 N PRO A 85 -6.777 -1.486 -10.470 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.391 -1.206 -10.977 1.00 0.00 C ATOM 1330 C PRO A 85 -4.807 0.243 -10.851 1.00 0.00 C ATOM 1331 O PRO A 85 -3.669 0.403 -10.410 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.493 -1.794 -12.370 1.00 0.00 C ATOM 1333 CG PRO A 85 -6.904 -1.539 -12.868 1.00 0.00 C ATOM 1334 CD PRO A 85 -7.750 -1.569 -11.592 1.00 0.00 C ATOM 0 HA PRO A 85 -4.617 -1.645 -10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.762 -1.334 -13.035 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.280 -2.863 -12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.981 -0.578 -13.377 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.222 -2.303 -13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.451 -0.735 -11.566 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.340 -2.484 -11.533 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.610 1.223 -11.261 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.247 2.651 -11.315 1.00 0.00 C ATOM 1344 C LYS A 86 -6.465 3.384 -10.710 1.00 0.00 C ATOM 1345 O LYS A 86 -7.403 3.757 -11.419 1.00 0.00 O ATOM 1346 CB LYS A 86 -4.978 3.044 -12.791 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.792 4.541 -13.151 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.621 4.721 -14.650 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.434 6.203 -15.132 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.386 6.178 -16.611 1.00 0.00 N ATOM 0 H LYS A 86 -6.564 1.047 -11.577 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.341 2.904 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.082 2.515 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.806 2.663 -13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.655 5.112 -12.808 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.920 4.939 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.757 4.140 -14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.493 4.301 -15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.257 6.828 -14.784 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.517 6.628 -14.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.399 7.152 -16.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.514 5.704 -16.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.211 5.661 -16.976 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.477 3.577 -9.378 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.713 3.737 -8.579 1.00 0.00 C ATOM 1366 C GLU A 87 -8.053 2.253 -8.119 1.00 0.00 C ATOM 1367 O GLU A 87 -9.032 1.576 -8.527 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.906 4.606 -9.041 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.916 5.125 -8.003 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.669 6.457 -7.274 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.086 7.425 -7.840 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -10.174 6.609 -6.140 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.179 1.735 -7.390 1.00 0.00 O ATOM 0 H GLU A 87 -5.625 3.627 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.493 4.439 -7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.496 5.473 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.464 4.028 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.880 5.206 -8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.018 4.354 -7.239 1.00 0.00 H new TER 1380 GLU A 87