USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=25 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 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 76 GLN : amide:sc= 0 X(o=0,f=0.081) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.00424) USER MOD Set 2.2: A 54 GLN : amide:sc= -0.075 K(o=1.1,f=-5.2!) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.851 K(o=2.1,f=-9.9!) USER MOD Set 3.2: A 40 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 34 CYS SG : rot 180:sc= -1.14 USER MOD Set 4.2: A 46 SER OG : rot -60:sc= 0.424 USER MOD Set 5.1: A 31 CYS SG : rot 96:sc= -6.7! USER MOD Set 5.2: A 65 HIS :FLIP no HD1:sc= -1.44 F(o=-10,f=-8.1) USER MOD Set 6.1: A 29 LYS NZ :NH3+ -162:sc= 1.19 (180deg=-0.14) USER MOD Set 6.2: A 32 TYR OH : rot 30:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -7.02! C(o=-8.4!,f=-7!) USER MOD Single : A 12 ASN : amide:sc= -0.0636 K(o=-0.064,f=-4.1!) USER MOD Single : A 13 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-5.7!) USER MOD Single : A 16 SER OG : rot -140:sc=-0.00209 USER MOD Single : A 17 GLN : amide:sc= -0.335 K(o=-0.33,f=-2.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.87) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= 0.627 K(o=0.63,f=-2.2!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 26:sc= 1.14 USER MOD Single : A 33 HIS : no HE2:sc= -6.02! C(o=-6!,f=-8.4!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -140:sc= 0.19 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -57:sc= -0.384 USER MOD Single : A 60 GLN : amide:sc= 0.462 K(o=0.46,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= -2 K(o=-2,f=-2.8) USER MOD Single : A 64 THR OG1 : rot -58:sc= 0.106 USER MOD Single : A 66 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.36! C(o=-1.4!,f=-9.8!) USER MOD Single : A 74 SER OG : rot 150:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 85 LYS NZ :NH3+ 140:sc= -0.481! (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.846 -1.031 5.540 1.00 0.00 N ATOM 2 CA MET A 1 -18.163 -0.496 6.769 1.00 0.00 C ATOM 3 C MET A 1 -17.131 -1.531 7.260 1.00 0.00 C ATOM 4 O MET A 1 -17.496 -2.612 7.691 1.00 0.00 O ATOM 5 CB MET A 1 -19.214 -0.218 7.867 1.00 0.00 C ATOM 6 CG MET A 1 -18.621 0.679 8.966 1.00 0.00 C ATOM 7 SD MET A 1 -19.048 -0.006 10.587 1.00 0.00 S ATOM 8 CE MET A 1 -19.821 1.471 11.291 1.00 0.00 C ATOM 0 H1 MET A 1 -19.544 -0.339 5.202 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.139 -1.201 4.796 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.327 -1.924 5.771 1.00 0.00 H new ATOM 0 HA MET A 1 -17.651 0.437 6.535 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.088 0.264 7.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.553 -1.159 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.538 0.740 8.857 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.009 1.693 8.873 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.159 1.257 12.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.096 2.285 11.315 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.674 1.762 10.678 1.00 0.00 H new ATOM 20 N ASP A 2 -15.855 -1.212 7.165 1.00 0.00 N ATOM 21 CA ASP A 2 -14.773 -2.178 7.581 1.00 0.00 C ATOM 22 C ASP A 2 -13.774 -1.507 8.572 1.00 0.00 C ATOM 23 O ASP A 2 -13.835 -0.303 8.777 1.00 0.00 O ATOM 24 CB ASP A 2 -14.030 -2.637 6.299 1.00 0.00 C ATOM 25 CG ASP A 2 -15.019 -3.040 5.194 1.00 0.00 C ATOM 26 OD1 ASP A 2 -15.867 -3.881 5.446 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.906 -2.506 4.109 1.00 0.00 O ATOM 0 H ASP A 2 -15.513 -0.317 6.815 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.216 -3.031 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.389 -1.832 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.381 -3.481 6.535 1.00 0.00 H new ATOM 32 N PRO A 3 -12.871 -2.303 9.162 1.00 0.00 N ATOM 33 CA PRO A 3 -11.862 -1.796 10.114 1.00 0.00 C ATOM 34 C PRO A 3 -10.706 -1.162 9.320 1.00 0.00 C ATOM 35 O PRO A 3 -10.079 -1.824 8.511 1.00 0.00 O ATOM 36 CB PRO A 3 -11.419 -3.046 10.885 1.00 0.00 C ATOM 37 CG PRO A 3 -11.758 -4.254 9.985 1.00 0.00 C ATOM 38 CD PRO A 3 -12.763 -3.762 8.930 1.00 0.00 C ATOM 0 HA PRO A 3 -12.230 -1.026 10.793 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.351 -3.011 11.102 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.937 -3.117 11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.859 -4.644 9.508 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.184 -5.066 10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.414 -3.977 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.729 -4.253 9.045 1.00 0.00 H new ATOM 46 N VAL A 4 -10.475 0.123 9.533 1.00 0.00 N ATOM 47 CA VAL A 4 -9.410 0.936 8.808 1.00 0.00 C ATOM 48 C VAL A 4 -9.837 1.221 7.372 1.00 0.00 C ATOM 49 O VAL A 4 -9.945 2.383 7.046 1.00 0.00 O ATOM 50 CB VAL A 4 -7.943 0.338 8.858 1.00 0.00 C ATOM 51 CG1 VAL A 4 -7.778 -0.485 10.106 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.559 -0.553 7.664 1.00 0.00 C ATOM 0 H VAL A 4 -11.004 0.671 10.211 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.341 1.869 9.367 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.286 1.207 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.769 -0.896 10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.943 0.144 10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.502 -1.300 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.538 -0.913 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.239 -1.403 7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.627 0.025 6.742 1.00 0.00 H new ATOM 62 N ASP A 5 -10.027 0.153 6.555 1.00 0.00 N ATOM 63 CA ASP A 5 -10.372 0.180 5.078 1.00 0.00 C ATOM 64 C ASP A 5 -9.291 -0.741 4.384 1.00 0.00 C ATOM 65 O ASP A 5 -8.691 -1.560 5.076 1.00 0.00 O ATOM 66 CB ASP A 5 -10.377 1.649 4.568 1.00 0.00 C ATOM 67 CG ASP A 5 -8.997 2.297 4.417 1.00 0.00 C ATOM 68 OD1 ASP A 5 -8.064 1.877 5.054 1.00 0.00 O ATOM 69 OD2 ASP A 5 -8.919 3.231 3.653 1.00 0.00 O ATOM 0 H ASP A 5 -9.944 -0.801 6.907 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.369 -0.198 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.881 1.679 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.970 2.252 5.256 1.00 0.00 H new ATOM 74 N PRO A 6 -8.995 -0.603 3.087 1.00 0.00 N ATOM 75 CA PRO A 6 -7.913 -1.404 2.462 1.00 0.00 C ATOM 76 C PRO A 6 -6.544 -0.672 2.653 1.00 0.00 C ATOM 77 O PRO A 6 -5.610 -0.884 1.890 1.00 0.00 O ATOM 78 CB PRO A 6 -8.310 -1.440 0.981 1.00 0.00 C ATOM 79 CG PRO A 6 -9.213 -0.210 0.748 1.00 0.00 C ATOM 80 CD PRO A 6 -9.677 0.289 2.128 1.00 0.00 C ATOM 0 HA PRO A 6 -7.799 -2.400 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.429 -1.403 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.839 -2.362 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.667 0.572 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.069 -0.475 0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.400 1.331 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.761 0.228 2.229 1.00 0.00 H new ATOM 88 N ASN A 7 -6.444 0.229 3.634 1.00 0.00 N ATOM 89 CA ASN A 7 -5.227 1.028 3.850 1.00 0.00 C ATOM 90 C ASN A 7 -5.205 1.662 5.271 1.00 0.00 C ATOM 91 O ASN A 7 -5.268 0.959 6.262 1.00 0.00 O ATOM 92 CB ASN A 7 -5.274 2.133 2.783 1.00 0.00 C ATOM 93 CG ASN A 7 -3.917 2.825 2.566 1.00 0.00 C ATOM 94 OD1 ASN A 7 -3.012 2.808 3.508 1.00 0.00 O flip ATOM 95 ND2 ASN A 7 -3.675 3.388 1.522 1.00 0.00 N flip ATOM 0 H ASN A 7 -7.194 0.427 4.297 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.333 0.409 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.610 1.704 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.013 2.880 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.374 3.408 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.772 3.843 1.385 1.00 0.00 H new ATOM 102 N ILE A 8 -5.113 3.002 5.331 1.00 0.00 N ATOM 103 CA ILE A 8 -5.075 3.795 6.554 1.00 0.00 C ATOM 104 C ILE A 8 -4.207 3.099 7.627 1.00 0.00 C ATOM 105 O ILE A 8 -4.617 2.892 8.751 1.00 0.00 O ATOM 106 CB ILE A 8 -6.541 4.027 6.874 1.00 0.00 C ATOM 107 CG1 ILE A 8 -7.184 4.702 5.628 1.00 0.00 C ATOM 108 CG2 ILE A 8 -6.662 4.914 8.056 1.00 0.00 C ATOM 109 CD1 ILE A 8 -6.884 6.206 5.562 1.00 0.00 C ATOM 0 H ILE A 8 -5.062 3.577 4.490 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.580 4.763 6.478 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.044 3.088 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.813 4.219 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.263 4.549 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.716 5.078 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.176 4.447 8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.184 5.870 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.354 6.632 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.279 6.695 6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.806 6.360 5.511 1.00 0.00 H new ATOM 121 N GLU A 9 -2.976 2.740 7.208 1.00 0.00 N ATOM 122 CA GLU A 9 -1.970 2.028 8.084 1.00 0.00 C ATOM 123 C GLU A 9 -0.794 1.443 7.231 1.00 0.00 C ATOM 124 O GLU A 9 0.338 1.831 7.451 1.00 0.00 O ATOM 125 CB GLU A 9 -2.660 0.878 8.814 1.00 0.00 C ATOM 126 CG GLU A 9 -2.578 1.083 10.334 1.00 0.00 C ATOM 127 CD GLU A 9 -3.287 -0.060 11.056 1.00 0.00 C ATOM 128 OE1 GLU A 9 -2.680 -1.109 11.215 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.429 0.116 11.437 1.00 0.00 O ATOM 0 H GLU A 9 -2.635 2.925 6.265 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.567 2.750 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.703 0.816 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.191 -0.067 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.535 1.130 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.035 2.034 10.606 1.00 0.00 H new ATOM 136 N PRO A 10 -1.082 0.507 6.292 1.00 0.00 N ATOM 137 CA PRO A 10 -0.033 -0.140 5.450 1.00 0.00 C ATOM 138 C PRO A 10 0.600 0.808 4.424 1.00 0.00 C ATOM 139 O PRO A 10 1.817 0.894 4.366 1.00 0.00 O ATOM 140 CB PRO A 10 -0.762 -1.292 4.759 1.00 0.00 C ATOM 141 CG PRO A 10 -2.262 -0.945 4.794 1.00 0.00 C ATOM 142 CD PRO A 10 -2.449 0.024 5.974 1.00 0.00 C ATOM 0 HA PRO A 10 0.808 -0.467 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.415 -1.410 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.570 -2.235 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.577 -0.484 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.866 -1.842 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.108 0.850 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.900 -0.478 6.830 1.00 0.00 H new ATOM 150 N TRP A 11 -0.178 1.530 3.623 1.00 0.00 N ATOM 151 CA TRP A 11 0.481 2.466 2.631 1.00 0.00 C ATOM 152 C TRP A 11 1.007 3.707 3.381 1.00 0.00 C ATOM 153 O TRP A 11 2.033 4.263 3.029 1.00 0.00 O ATOM 154 CB TRP A 11 -0.480 2.899 1.536 1.00 0.00 C ATOM 155 CG TRP A 11 -0.601 1.763 0.618 1.00 0.00 C ATOM 156 CD1 TRP A 11 -1.695 1.021 0.448 1.00 0.00 C ATOM 157 CD2 TRP A 11 0.430 1.195 -0.205 1.00 0.00 C ATOM 158 NE1 TRP A 11 -1.424 0.049 -0.490 1.00 0.00 N ATOM 159 CE2 TRP A 11 -0.116 0.113 -0.909 1.00 0.00 C ATOM 160 CE3 TRP A 11 1.776 1.528 -0.414 1.00 0.00 C ATOM 161 CZ2 TRP A 11 0.643 -0.614 -1.792 1.00 0.00 C ATOM 162 CZ3 TRP A 11 2.546 0.785 -1.300 1.00 0.00 C ATOM 163 CH2 TRP A 11 1.970 -0.281 -1.985 1.00 0.00 C ATOM 0 H TRP A 11 -1.198 1.514 3.612 1.00 0.00 H new ATOM 0 HA TRP A 11 1.303 1.932 2.155 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.451 3.165 1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.104 3.780 1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.636 1.159 0.960 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.105 -0.630 -0.830 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.214 2.362 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.206 -1.441 -2.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.585 1.033 -1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.568 -0.856 -2.677 1.00 0.00 H new ATOM 174 N ASN A 12 0.291 4.125 4.428 1.00 0.00 N ATOM 175 CA ASN A 12 0.690 5.316 5.258 1.00 0.00 C ATOM 176 C ASN A 12 -0.371 5.569 6.359 1.00 0.00 C ATOM 177 O ASN A 12 -1.492 5.081 6.288 1.00 0.00 O ATOM 178 CB ASN A 12 0.834 6.590 4.387 1.00 0.00 C ATOM 179 CG ASN A 12 -0.331 6.721 3.395 1.00 0.00 C ATOM 180 OD1 ASN A 12 -1.442 7.007 3.782 1.00 0.00 O ATOM 181 ND2 ASN A 12 -0.120 6.521 2.128 1.00 0.00 N ATOM 0 H ASN A 12 -0.569 3.673 4.738 1.00 0.00 H new ATOM 0 HA ASN A 12 1.656 5.097 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.869 7.470 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.777 6.556 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.889 6.605 1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.815 6.280 1.798 1.00 0.00 H new ATOM 188 N HIS A 13 -0.008 6.344 7.352 1.00 0.00 N ATOM 189 CA HIS A 13 -0.939 6.695 8.483 1.00 0.00 C ATOM 190 C HIS A 13 -0.930 8.264 8.627 1.00 0.00 C ATOM 191 O HIS A 13 -0.351 8.927 7.777 1.00 0.00 O ATOM 192 CB HIS A 13 -0.391 5.998 9.752 1.00 0.00 C ATOM 193 CG HIS A 13 -1.479 5.227 10.470 1.00 0.00 C ATOM 194 ND1 HIS A 13 -1.264 4.656 11.713 1.00 0.00 N ATOM 195 CD2 HIS A 13 -2.794 4.964 10.165 1.00 0.00 C ATOM 196 CE1 HIS A 13 -2.421 4.090 12.107 1.00 0.00 C ATOM 197 NE2 HIS A 13 -3.384 4.250 11.199 1.00 0.00 N ATOM 0 H HIS A 13 0.919 6.761 7.432 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.965 6.367 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.417 5.320 9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.034 6.744 10.424 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.293 5.268 9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.553 3.570 13.044 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.347 3.919 11.253 1.00 0.00 H new ATOM 205 N PRO A 14 -1.544 8.843 9.672 1.00 0.00 N ATOM 206 CA PRO A 14 -1.540 10.321 9.851 1.00 0.00 C ATOM 207 C PRO A 14 -0.155 10.797 10.370 1.00 0.00 C ATOM 208 O PRO A 14 0.045 11.003 11.558 1.00 0.00 O ATOM 209 CB PRO A 14 -2.666 10.568 10.868 1.00 0.00 C ATOM 210 CG PRO A 14 -2.866 9.240 11.628 1.00 0.00 C ATOM 211 CD PRO A 14 -2.282 8.128 10.741 1.00 0.00 C ATOM 0 HA PRO A 14 -1.705 10.876 8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.400 11.372 11.554 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.585 10.870 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.363 9.268 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.923 9.063 11.824 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.620 7.475 11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.069 7.499 10.325 1.00 0.00 H new ATOM 219 N GLY A 15 0.801 10.954 9.466 1.00 0.00 N ATOM 220 CA GLY A 15 2.189 11.399 9.853 1.00 0.00 C ATOM 221 C GLY A 15 3.235 10.462 9.222 1.00 0.00 C ATOM 222 O GLY A 15 3.844 9.661 9.909 1.00 0.00 O ATOM 0 H GLY A 15 0.674 10.790 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.358 12.423 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.292 11.395 10.938 1.00 0.00 H new ATOM 226 N SER A 16 3.439 10.559 7.920 1.00 0.00 N ATOM 227 CA SER A 16 4.442 9.675 7.219 1.00 0.00 C ATOM 228 C SER A 16 5.576 10.526 6.615 1.00 0.00 C ATOM 229 O SER A 16 5.326 11.547 5.993 1.00 0.00 O ATOM 230 CB SER A 16 3.743 8.892 6.095 1.00 0.00 C ATOM 231 OG SER A 16 2.737 8.046 6.653 1.00 0.00 O ATOM 0 H SER A 16 2.951 11.216 7.310 1.00 0.00 H new ATOM 0 HA SER A 16 4.865 8.981 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.296 9.583 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.472 8.295 5.547 1.00 0.00 H new ATOM 0 HG SER A 16 2.740 7.183 6.188 1.00 0.00 H new ATOM 237 N GLN A 17 6.819 10.104 6.789 1.00 0.00 N ATOM 238 CA GLN A 17 7.985 10.876 6.222 1.00 0.00 C ATOM 239 C GLN A 17 8.514 10.200 4.925 1.00 0.00 C ATOM 240 O GLN A 17 8.369 8.996 4.761 1.00 0.00 O ATOM 241 CB GLN A 17 9.112 10.977 7.282 1.00 0.00 C ATOM 242 CG GLN A 17 9.885 9.646 7.430 1.00 0.00 C ATOM 243 CD GLN A 17 11.137 9.862 8.293 1.00 0.00 C ATOM 244 OE1 GLN A 17 11.894 10.784 8.072 1.00 0.00 O ATOM 245 NE2 GLN A 17 11.399 9.047 9.269 1.00 0.00 N ATOM 0 H GLN A 17 7.074 9.258 7.299 1.00 0.00 H new ATOM 0 HA GLN A 17 7.649 11.881 5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.805 11.770 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.682 11.256 8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.244 8.892 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.170 9.270 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.771 8.268 9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.233 9.186 9.839 1.00 0.00 H new ATOM 254 N PRO A 18 9.138 10.990 4.048 1.00 0.00 N ATOM 255 CA PRO A 18 9.716 10.476 2.777 1.00 0.00 C ATOM 256 C PRO A 18 11.089 9.794 3.043 1.00 0.00 C ATOM 257 O PRO A 18 12.130 10.265 2.604 1.00 0.00 O ATOM 258 CB PRO A 18 9.858 11.746 1.917 1.00 0.00 C ATOM 259 CG PRO A 18 9.924 12.936 2.902 1.00 0.00 C ATOM 260 CD PRO A 18 9.315 12.453 4.229 1.00 0.00 C ATOM 0 HA PRO A 18 9.106 9.715 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.757 11.700 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.012 11.851 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.954 13.261 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.371 13.791 2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.973 12.672 5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.364 12.946 4.431 1.00 0.00 H new ATOM 268 N LYS A 19 11.086 8.688 3.776 1.00 0.00 N ATOM 269 CA LYS A 19 12.367 7.955 4.099 1.00 0.00 C ATOM 270 C LYS A 19 12.123 6.432 4.084 1.00 0.00 C ATOM 271 O LYS A 19 12.734 5.720 3.306 1.00 0.00 O ATOM 272 CB LYS A 19 12.886 8.383 5.487 1.00 0.00 C ATOM 273 CG LYS A 19 13.284 9.864 5.462 1.00 0.00 C ATOM 274 CD LYS A 19 14.434 10.112 6.447 1.00 0.00 C ATOM 275 CE LYS A 19 14.895 11.572 6.355 1.00 0.00 C ATOM 276 NZ LYS A 19 15.795 11.743 5.168 1.00 0.00 N ATOM 0 H LYS A 19 10.245 8.262 4.165 1.00 0.00 H new ATOM 0 HA LYS A 19 13.113 8.205 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.115 8.217 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.743 7.772 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.588 10.151 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.427 10.484 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.109 9.888 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.266 9.444 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.032 12.231 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.421 11.856 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.106 12.734 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.625 11.125 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.279 11.489 4.302 1.00 0.00 H new ATOM 290 N THR A 20 11.234 5.933 4.938 1.00 0.00 N ATOM 291 CA THR A 20 10.931 4.450 4.983 1.00 0.00 C ATOM 292 C THR A 20 10.296 4.026 3.646 1.00 0.00 C ATOM 293 O THR A 20 9.159 4.371 3.363 1.00 0.00 O ATOM 294 CB THR A 20 9.958 4.137 6.143 1.00 0.00 C ATOM 295 OG1 THR A 20 10.370 4.829 7.315 1.00 0.00 O ATOM 296 CG2 THR A 20 9.949 2.633 6.428 1.00 0.00 C ATOM 0 H THR A 20 10.706 6.494 5.606 1.00 0.00 H new ATOM 0 HA THR A 20 11.857 3.898 5.146 1.00 0.00 H new ATOM 0 HB THR A 20 8.956 4.459 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.750 4.630 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.261 2.422 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.627 2.096 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.952 2.309 6.705 1.00 0.00 H new ATOM 304 N ALA A 21 11.050 3.313 2.812 1.00 0.00 N ATOM 305 CA ALA A 21 10.568 2.864 1.444 1.00 0.00 C ATOM 306 C ALA A 21 10.554 4.069 0.469 1.00 0.00 C ATOM 307 O ALA A 21 11.286 4.069 -0.505 1.00 0.00 O ATOM 308 CB ALA A 21 9.173 2.207 1.527 1.00 0.00 C ATOM 0 H ALA A 21 12.002 3.018 3.031 1.00 0.00 H new ATOM 0 HA ALA A 21 11.260 2.111 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.857 1.897 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.219 1.336 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.457 2.924 1.928 1.00 0.00 H new ATOM 314 N CYS A 22 9.742 5.093 0.744 1.00 0.00 N ATOM 315 CA CYS A 22 9.652 6.334 -0.118 1.00 0.00 C ATOM 316 C CYS A 22 8.982 6.031 -1.482 1.00 0.00 C ATOM 317 O CYS A 22 7.896 6.518 -1.750 1.00 0.00 O ATOM 318 CB CYS A 22 11.054 6.950 -0.319 1.00 0.00 C ATOM 319 SG CYS A 22 10.896 8.711 -0.710 1.00 0.00 S ATOM 0 H CYS A 22 9.124 5.112 1.555 1.00 0.00 H new ATOM 0 HA CYS A 22 9.024 7.058 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.652 6.820 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 22 11.576 6.434 -1.125 1.00 0.00 H new ATOM 0 HG CYS A 22 12.078 9.226 -0.876 1.00 0.00 H new ATOM 325 N ASN A 23 9.617 5.248 -2.340 1.00 0.00 N ATOM 326 CA ASN A 23 9.023 4.923 -3.685 1.00 0.00 C ATOM 327 C ASN A 23 9.517 3.544 -4.191 1.00 0.00 C ATOM 328 O ASN A 23 10.674 3.188 -4.024 1.00 0.00 O ATOM 329 CB ASN A 23 9.402 6.041 -4.690 1.00 0.00 C ATOM 330 CG ASN A 23 10.896 5.989 -5.048 1.00 0.00 C ATOM 331 OD1 ASN A 23 11.257 5.510 -6.099 1.00 0.00 O ATOM 332 ND2 ASN A 23 11.782 6.466 -4.224 1.00 0.00 N ATOM 0 H ASN A 23 10.526 4.820 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 23 7.938 4.870 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.805 5.936 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.162 7.014 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.772 6.435 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.486 6.872 -3.336 1.00 0.00 H new ATOM 339 N ARG A 24 8.644 2.781 -4.823 1.00 0.00 N ATOM 340 CA ARG A 24 9.040 1.434 -5.369 1.00 0.00 C ATOM 341 C ARG A 24 9.221 1.561 -6.900 1.00 0.00 C ATOM 342 O ARG A 24 8.427 1.055 -7.681 1.00 0.00 O ATOM 343 CB ARG A 24 7.949 0.397 -5.021 1.00 0.00 C ATOM 344 CG ARG A 24 8.025 0.029 -3.526 1.00 0.00 C ATOM 345 CD ARG A 24 8.342 -1.467 -3.364 1.00 0.00 C ATOM 346 NE ARG A 24 7.238 -2.140 -2.599 1.00 0.00 N ATOM 347 CZ ARG A 24 6.170 -2.566 -3.209 1.00 0.00 C ATOM 348 NH1 ARG A 24 6.216 -3.665 -3.896 1.00 0.00 N ATOM 349 NH2 ARG A 24 5.066 -1.894 -3.118 1.00 0.00 N ATOM 0 H ARG A 24 7.670 3.036 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 24 9.978 1.098 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.964 0.802 -5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.079 -0.497 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.793 0.626 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.079 0.263 -3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.455 -1.933 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.289 -1.593 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 24 7.326 -2.264 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.087 -4.192 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.381 -4.002 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.036 -1.034 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.227 -2.225 -3.595 1.00 0.00 H new ATOM 363 N CYS A 25 10.261 2.261 -7.327 1.00 0.00 N ATOM 364 CA CYS A 25 10.511 2.466 -8.797 1.00 0.00 C ATOM 365 C CYS A 25 11.181 1.218 -9.417 1.00 0.00 C ATOM 366 O CYS A 25 12.384 1.021 -9.303 1.00 0.00 O ATOM 367 CB CYS A 25 11.403 3.707 -8.994 1.00 0.00 C ATOM 368 SG CYS A 25 11.521 4.102 -10.759 1.00 0.00 S ATOM 0 H CYS A 25 10.948 2.699 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 25 9.557 2.622 -9.302 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.988 4.555 -8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 25 12.397 3.521 -8.586 1.00 0.00 H new ATOM 0 HG CYS A 25 12.273 5.150 -10.920 1.00 0.00 H new ATOM 374 N HIS A 26 10.399 0.382 -10.079 1.00 0.00 N ATOM 375 CA HIS A 26 10.954 -0.855 -10.733 1.00 0.00 C ATOM 376 C HIS A 26 10.050 -1.265 -11.916 1.00 0.00 C ATOM 377 O HIS A 26 8.921 -1.695 -11.723 1.00 0.00 O ATOM 378 CB HIS A 26 11.039 -1.996 -9.700 1.00 0.00 C ATOM 379 CG HIS A 26 12.465 -2.468 -9.582 1.00 0.00 C ATOM 380 ND1 HIS A 26 13.502 -1.614 -9.238 1.00 0.00 N ATOM 381 CD2 HIS A 26 13.040 -3.700 -9.760 1.00 0.00 C ATOM 382 CE1 HIS A 26 14.638 -2.338 -9.222 1.00 0.00 C ATOM 383 NE2 HIS A 26 14.412 -3.617 -9.533 1.00 0.00 N ATOM 0 H HIS A 26 9.393 0.508 -10.193 1.00 0.00 H new ATOM 0 HA HIS A 26 11.956 -0.650 -11.110 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.679 -1.650 -8.731 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.396 -2.822 -10.003 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.420 -0.618 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.509 -4.599 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.612 -1.934 -8.987 1.00 0.00 H new ATOM 391 N CYS A 27 10.547 -1.105 -13.142 1.00 0.00 N ATOM 392 CA CYS A 27 9.755 -1.449 -14.387 1.00 0.00 C ATOM 393 C CYS A 27 8.502 -0.536 -14.509 1.00 0.00 C ATOM 394 O CYS A 27 8.290 0.351 -13.693 1.00 0.00 O ATOM 395 CB CYS A 27 9.340 -2.936 -14.348 1.00 0.00 C ATOM 396 SG CYS A 27 9.713 -3.718 -15.939 1.00 0.00 S ATOM 0 H CYS A 27 11.483 -0.745 -13.330 1.00 0.00 H new ATOM 0 HA CYS A 27 10.383 -1.280 -15.262 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.870 -3.450 -13.546 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.275 -3.020 -14.131 1.00 0.00 H new ATOM 0 HG CYS A 27 9.364 -4.970 -15.900 1.00 0.00 H new ATOM 402 N LYS A 28 7.668 -0.744 -15.518 1.00 0.00 N ATOM 403 CA LYS A 28 6.435 0.112 -15.678 1.00 0.00 C ATOM 404 C LYS A 28 5.271 -0.481 -14.834 1.00 0.00 C ATOM 405 O LYS A 28 4.241 -0.891 -15.354 1.00 0.00 O ATOM 406 CB LYS A 28 6.060 0.245 -17.180 1.00 0.00 C ATOM 407 CG LYS A 28 5.792 -1.130 -17.831 1.00 0.00 C ATOM 408 CD LYS A 28 4.622 -1.017 -18.827 1.00 0.00 C ATOM 409 CE LYS A 28 3.278 -1.088 -18.084 1.00 0.00 C ATOM 410 NZ LYS A 28 2.174 -1.357 -19.060 1.00 0.00 N ATOM 0 H LYS A 28 7.789 -1.464 -16.230 1.00 0.00 H new ATOM 0 HA LYS A 28 6.636 1.117 -15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.174 0.872 -17.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.867 0.748 -17.713 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.687 -1.480 -18.346 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.558 -1.867 -17.063 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.692 -0.078 -19.376 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.682 -1.820 -19.561 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.310 -1.875 -17.330 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.092 -0.151 -17.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.267 -1.404 -18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.138 -0.592 -19.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.349 -2.262 -19.542 1.00 0.00 H new ATOM 424 N LYS A 29 5.443 -0.524 -13.524 1.00 0.00 N ATOM 425 CA LYS A 29 4.381 -1.078 -12.617 1.00 0.00 C ATOM 426 C LYS A 29 4.234 -0.183 -11.369 1.00 0.00 C ATOM 427 O LYS A 29 3.225 0.486 -11.220 1.00 0.00 O ATOM 428 CB LYS A 29 4.753 -2.517 -12.212 1.00 0.00 C ATOM 429 CG LYS A 29 4.261 -3.500 -13.285 1.00 0.00 C ATOM 430 CD LYS A 29 5.012 -4.834 -13.146 1.00 0.00 C ATOM 431 CE LYS A 29 4.227 -5.963 -13.828 1.00 0.00 C ATOM 432 NZ LYS A 29 3.046 -6.347 -12.989 1.00 0.00 N ATOM 0 H LYS A 29 6.282 -0.195 -13.045 1.00 0.00 H new ATOM 0 HA LYS A 29 3.426 -1.095 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.833 -2.604 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.305 -2.761 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.188 -3.662 -13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.424 -3.081 -14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.002 -4.749 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.157 -5.069 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.893 -5.640 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.874 -6.828 -13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.702 -7.284 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.327 -6.378 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.288 -5.646 -13.115 1.00 0.00 H new ATOM 446 N CYS A 30 5.233 -0.162 -10.478 1.00 0.00 N ATOM 447 CA CYS A 30 5.166 0.690 -9.220 1.00 0.00 C ATOM 448 C CYS A 30 3.910 0.310 -8.376 1.00 0.00 C ATOM 449 O CYS A 30 3.287 -0.715 -8.624 1.00 0.00 O ATOM 450 CB CYS A 30 5.130 2.182 -9.630 1.00 0.00 C ATOM 451 SG CYS A 30 6.384 3.112 -8.711 1.00 0.00 S ATOM 0 H CYS A 30 6.092 -0.703 -10.574 1.00 0.00 H new ATOM 0 HA CYS A 30 6.046 0.510 -8.602 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.308 2.277 -10.701 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.142 2.597 -9.433 1.00 0.00 H new ATOM 0 HG CYS A 30 7.344 2.311 -8.355 1.00 0.00 H new ATOM 457 N CYS A 31 3.527 1.127 -7.388 1.00 0.00 N ATOM 458 CA CYS A 31 2.302 0.828 -6.541 1.00 0.00 C ATOM 459 C CYS A 31 2.433 -0.597 -5.896 1.00 0.00 C ATOM 460 O CYS A 31 3.283 -0.787 -5.042 1.00 0.00 O ATOM 461 CB CYS A 31 1.070 0.977 -7.466 1.00 0.00 C ATOM 462 SG CYS A 31 -0.450 0.989 -6.502 1.00 0.00 S ATOM 0 H CYS A 31 4.015 1.987 -7.137 1.00 0.00 H new ATOM 0 HA CYS A 31 2.196 1.519 -5.705 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.150 1.900 -8.041 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.046 0.156 -8.183 1.00 0.00 H new ATOM 0 HG CYS A 31 -0.808 2.217 -6.271 1.00 0.00 H new ATOM 468 N TYR A 32 1.653 -1.597 -6.332 1.00 0.00 N ATOM 469 CA TYR A 32 1.772 -3.015 -5.811 1.00 0.00 C ATOM 470 C TYR A 32 1.507 -3.169 -4.281 1.00 0.00 C ATOM 471 O TYR A 32 2.436 -3.098 -3.480 1.00 0.00 O ATOM 472 CB TYR A 32 3.205 -3.526 -6.115 1.00 0.00 C ATOM 473 CG TYR A 32 3.233 -4.499 -7.269 1.00 0.00 C ATOM 474 CD1 TYR A 32 2.903 -5.842 -7.061 1.00 0.00 C ATOM 475 CD2 TYR A 32 3.635 -4.064 -8.537 1.00 0.00 C ATOM 476 CE1 TYR A 32 2.981 -6.752 -8.121 1.00 0.00 C ATOM 477 CE2 TYR A 32 3.704 -4.973 -9.598 1.00 0.00 C ATOM 478 CZ TYR A 32 3.380 -6.316 -9.391 1.00 0.00 C ATOM 479 OH TYR A 32 3.470 -7.216 -10.437 1.00 0.00 O ATOM 0 H TYR A 32 0.929 -1.476 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 32 1.000 -3.596 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.850 -2.678 -6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.613 -4.008 -5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.588 -6.176 -6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.892 -3.027 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.734 -7.791 -7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.008 -4.636 -10.578 1.00 0.00 H new ATOM 0 HH TYR A 32 2.818 -7.936 -10.306 1.00 0.00 H new ATOM 489 N HIS A 33 0.278 -3.485 -3.869 1.00 0.00 N ATOM 490 CA HIS A 33 0.031 -3.759 -2.396 1.00 0.00 C ATOM 491 C HIS A 33 0.296 -5.270 -2.154 1.00 0.00 C ATOM 492 O HIS A 33 0.882 -5.914 -3.015 1.00 0.00 O ATOM 493 CB HIS A 33 -1.374 -3.317 -1.948 1.00 0.00 C ATOM 494 CG HIS A 33 -1.375 -3.032 -0.459 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.536 -2.786 0.246 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.361 -2.944 0.464 1.00 0.00 C ATOM 497 CE1 HIS A 33 -2.200 -2.562 1.529 1.00 0.00 C ATOM 498 NE2 HIS A 33 -0.884 -2.644 1.714 1.00 0.00 N ATOM 0 H HIS A 33 -0.541 -3.563 -4.473 1.00 0.00 H new ATOM 0 HA HIS A 33 0.710 -3.167 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.677 -2.426 -2.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.101 -4.096 -2.178 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.481 -2.776 -0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.688 -3.087 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.910 -2.343 2.313 1.00 0.00 H new ATOM 506 N CYS A 34 -0.013 -5.828 -0.974 1.00 0.00 N ATOM 507 CA CYS A 34 0.333 -7.269 -0.644 1.00 0.00 C ATOM 508 C CYS A 34 1.838 -7.298 -0.259 1.00 0.00 C ATOM 509 O CYS A 34 2.206 -7.818 0.776 1.00 0.00 O ATOM 510 CB CYS A 34 0.043 -8.224 -1.825 1.00 0.00 C ATOM 511 SG CYS A 34 -0.338 -9.881 -1.201 1.00 0.00 S ATOM 0 H CYS A 34 -0.495 -5.333 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.288 -7.620 0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.794 -7.846 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.906 -8.266 -2.490 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.582 -10.676 -2.201 1.00 0.00 H new ATOM 517 N GLN A 35 2.691 -6.690 -1.080 1.00 0.00 N ATOM 518 CA GLN A 35 4.158 -6.603 -0.801 1.00 0.00 C ATOM 519 C GLN A 35 4.446 -5.236 -0.117 1.00 0.00 C ATOM 520 O GLN A 35 5.206 -4.411 -0.614 1.00 0.00 O ATOM 521 CB GLN A 35 4.962 -6.721 -2.131 1.00 0.00 C ATOM 522 CG GLN A 35 4.265 -7.652 -3.154 1.00 0.00 C ATOM 523 CD GLN A 35 4.537 -9.120 -2.817 1.00 0.00 C ATOM 524 OE1 GLN A 35 3.715 -9.785 -2.224 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.661 -9.666 -3.174 1.00 0.00 N ATOM 0 H GLN A 35 2.409 -6.243 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 35 4.464 -7.418 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.085 -5.730 -2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.961 -7.101 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.191 -7.465 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.624 -7.431 -4.159 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.359 -9.115 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.845 -10.645 -2.955 1.00 0.00 H new ATOM 534 N VAL A 36 3.827 -5.002 1.024 1.00 0.00 N ATOM 535 CA VAL A 36 4.015 -3.714 1.792 1.00 0.00 C ATOM 536 C VAL A 36 4.803 -4.024 3.101 1.00 0.00 C ATOM 537 O VAL A 36 5.015 -5.181 3.434 1.00 0.00 O ATOM 538 CB VAL A 36 2.605 -3.092 2.050 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.720 -4.047 2.852 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.705 -1.757 2.798 1.00 0.00 C ATOM 0 H VAL A 36 3.186 -5.662 1.465 1.00 0.00 H new ATOM 0 HA VAL A 36 4.600 -2.982 1.235 1.00 0.00 H new ATOM 0 HB VAL A 36 2.156 -2.917 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.745 -3.588 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.594 -4.978 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.189 -4.257 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.705 -1.355 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.192 -1.915 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.289 -1.052 2.207 1.00 0.00 H new ATOM 550 N CYS A 37 5.278 -3.015 3.823 1.00 0.00 N ATOM 551 CA CYS A 37 6.092 -3.263 5.080 1.00 0.00 C ATOM 552 C CYS A 37 5.213 -3.730 6.285 1.00 0.00 C ATOM 553 O CYS A 37 5.275 -3.162 7.368 1.00 0.00 O ATOM 554 CB CYS A 37 6.858 -1.972 5.443 1.00 0.00 C ATOM 555 SG CYS A 37 8.293 -1.786 4.356 1.00 0.00 S ATOM 0 H CYS A 37 5.137 -2.031 3.595 1.00 0.00 H new ATOM 0 HA CYS A 37 6.790 -4.074 4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.201 -1.108 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.181 -2.010 6.483 1.00 0.00 H new ATOM 0 HG CYS A 37 8.933 -0.697 4.664 1.00 0.00 H new ATOM 561 N PHE A 38 4.436 -4.792 6.114 1.00 0.00 N ATOM 562 CA PHE A 38 3.585 -5.351 7.231 1.00 0.00 C ATOM 563 C PHE A 38 2.907 -6.673 6.763 1.00 0.00 C ATOM 564 O PHE A 38 3.316 -7.266 5.777 1.00 0.00 O ATOM 565 CB PHE A 38 2.572 -4.251 7.748 1.00 0.00 C ATOM 566 CG PHE A 38 1.144 -4.313 7.175 1.00 0.00 C ATOM 567 CD1 PHE A 38 0.891 -4.699 5.852 1.00 0.00 C ATOM 568 CD2 PHE A 38 0.068 -3.916 7.990 1.00 0.00 C ATOM 569 CE1 PHE A 38 -0.414 -4.683 5.350 1.00 0.00 C ATOM 570 CE2 PHE A 38 -1.237 -3.913 7.487 1.00 0.00 C ATOM 571 CZ PHE A 38 -1.476 -4.291 6.165 1.00 0.00 C ATOM 0 H PHE A 38 4.357 -5.300 5.233 1.00 0.00 H new ATOM 0 HA PHE A 38 4.203 -5.612 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.508 -4.328 8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.989 -3.269 7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.707 -5.010 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.251 -3.612 9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.600 -4.975 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.060 -3.618 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.482 -4.280 5.773 1.00 0.00 H new ATOM 581 N ILE A 39 1.900 -7.127 7.479 1.00 0.00 N ATOM 582 CA ILE A 39 1.150 -8.396 7.140 1.00 0.00 C ATOM 583 C ILE A 39 0.804 -8.515 5.615 1.00 0.00 C ATOM 584 O ILE A 39 0.496 -7.540 4.957 1.00 0.00 O ATOM 585 CB ILE A 39 -0.147 -8.393 7.979 1.00 0.00 C ATOM 586 CG1 ILE A 39 -0.910 -9.691 7.761 1.00 0.00 C ATOM 587 CG2 ILE A 39 -1.016 -7.198 7.626 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.759 -9.963 8.995 1.00 0.00 C ATOM 0 H ILE A 39 1.552 -6.656 8.314 1.00 0.00 H new ATOM 0 HA ILE A 39 1.783 -9.253 7.370 1.00 0.00 H new ATOM 0 HB ILE A 39 0.121 -8.314 9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.541 -9.616 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.217 -10.514 7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.924 -7.217 8.229 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.467 -6.278 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.282 -7.241 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.314 -10.891 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.113 -10.053 9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.458 -9.140 9.144 1.00 0.00 H new ATOM 600 N LYS A 40 0.842 -9.724 5.068 1.00 0.00 N ATOM 601 CA LYS A 40 0.507 -9.926 3.609 1.00 0.00 C ATOM 602 C LYS A 40 -0.944 -10.447 3.465 1.00 0.00 C ATOM 603 O LYS A 40 -1.761 -9.798 2.853 1.00 0.00 O ATOM 604 CB LYS A 40 1.504 -10.921 2.984 1.00 0.00 C ATOM 605 CG LYS A 40 1.425 -10.843 1.450 1.00 0.00 C ATOM 606 CD LYS A 40 2.838 -10.853 0.844 1.00 0.00 C ATOM 607 CE LYS A 40 3.188 -12.260 0.338 1.00 0.00 C ATOM 608 NZ LYS A 40 3.214 -12.273 -1.161 1.00 0.00 N ATOM 0 H LYS A 40 1.091 -10.576 5.571 1.00 0.00 H new ATOM 0 HA LYS A 40 0.584 -8.974 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.517 -10.693 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.279 -11.934 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.850 -11.685 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.900 -9.936 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.894 -10.139 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.565 -10.536 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.158 -12.566 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.456 -12.980 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.832 -13.041 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.251 -12.424 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.577 -11.363 -1.510 1.00 0.00 H new ATOM 622 N LYS A 41 -1.258 -11.607 4.047 1.00 0.00 N ATOM 623 CA LYS A 41 -2.644 -12.216 3.999 1.00 0.00 C ATOM 624 C LYS A 41 -3.344 -12.055 2.597 1.00 0.00 C ATOM 625 O LYS A 41 -3.030 -12.787 1.679 1.00 0.00 O ATOM 626 CB LYS A 41 -3.469 -11.607 5.158 1.00 0.00 C ATOM 627 CG LYS A 41 -4.720 -12.454 5.428 1.00 0.00 C ATOM 628 CD LYS A 41 -4.331 -13.694 6.250 1.00 0.00 C ATOM 629 CE LYS A 41 -4.070 -14.893 5.327 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.612 -16.140 5.955 1.00 0.00 N ATOM 0 H LYS A 41 -0.584 -12.168 4.568 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.569 -13.295 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.857 -11.553 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.760 -10.587 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.462 -11.865 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.177 -12.757 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.439 -13.481 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.128 -13.936 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.541 -14.728 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.000 -15.000 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.434 -16.950 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.143 -16.300 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.636 -16.037 6.105 1.00 0.00 H new ATOM 644 N GLY A 42 -4.278 -11.119 2.447 1.00 0.00 N ATOM 645 CA GLY A 42 -5.005 -10.890 1.136 1.00 0.00 C ATOM 646 C GLY A 42 -6.508 -10.667 1.400 1.00 0.00 C ATOM 647 O GLY A 42 -7.012 -9.614 1.117 1.00 0.00 O ATOM 0 H GLY A 42 -4.571 -10.492 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.585 -10.025 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.866 -11.748 0.479 1.00 0.00 H new ATOM 651 N LEU A 43 -7.185 -11.661 1.982 1.00 0.00 N ATOM 652 CA LEU A 43 -8.681 -11.605 2.368 1.00 0.00 C ATOM 653 C LEU A 43 -9.357 -10.178 2.296 1.00 0.00 C ATOM 654 O LEU A 43 -9.715 -9.730 1.224 1.00 0.00 O ATOM 655 CB LEU A 43 -8.845 -12.192 3.803 1.00 0.00 C ATOM 656 CG LEU A 43 -7.730 -11.753 4.829 1.00 0.00 C ATOM 657 CD1 LEU A 43 -6.951 -10.459 4.458 1.00 0.00 C ATOM 658 CD2 LEU A 43 -8.382 -11.500 6.180 1.00 0.00 C ATOM 0 H LEU A 43 -6.748 -12.552 2.219 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.204 -12.195 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.817 -11.892 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.850 -13.280 3.737 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.009 -12.571 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.210 -10.247 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.450 -10.598 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.647 -9.624 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.622 -11.196 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.127 -10.710 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.865 -12.413 6.527 1.00 0.00 H new ATOM 670 N GLY A 44 -9.545 -9.489 3.436 1.00 0.00 N ATOM 671 CA GLY A 44 -10.170 -8.128 3.496 1.00 0.00 C ATOM 672 C GLY A 44 -9.536 -7.158 2.487 1.00 0.00 C ATOM 673 O GLY A 44 -10.214 -6.360 1.854 1.00 0.00 O ATOM 0 H GLY A 44 -9.272 -9.849 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.238 -8.211 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.064 -7.724 4.503 1.00 0.00 H new ATOM 677 N ILE A 45 -8.233 -7.225 2.386 1.00 0.00 N ATOM 678 CA ILE A 45 -7.428 -6.350 1.476 1.00 0.00 C ATOM 679 C ILE A 45 -6.000 -6.957 1.394 1.00 0.00 C ATOM 680 O ILE A 45 -5.462 -7.113 0.317 1.00 0.00 O ATOM 681 CB ILE A 45 -7.421 -4.856 1.992 1.00 0.00 C ATOM 682 CG1 ILE A 45 -6.016 -4.206 1.865 1.00 0.00 C ATOM 683 CG2 ILE A 45 -7.916 -4.738 3.450 1.00 0.00 C ATOM 684 CD1 ILE A 45 -5.097 -4.560 3.052 1.00 0.00 C ATOM 0 H ILE A 45 -7.668 -7.882 2.923 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.865 -6.316 0.478 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.116 -4.316 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.549 -4.534 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.124 -3.123 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.893 -3.693 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.937 -5.114 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.268 -5.323 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.127 -4.082 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.549 -4.208 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.965 -5.641 3.100 1.00 0.00 H new ATOM 696 N SER A 46 -5.422 -7.299 2.558 1.00 0.00 N ATOM 697 CA SER A 46 -4.043 -7.908 2.672 1.00 0.00 C ATOM 698 C SER A 46 -3.522 -7.711 4.118 1.00 0.00 C ATOM 699 O SER A 46 -2.499 -7.079 4.335 1.00 0.00 O ATOM 700 CB SER A 46 -3.060 -7.256 1.690 1.00 0.00 C ATOM 701 OG SER A 46 -2.725 -8.189 0.665 1.00 0.00 O ATOM 0 H SER A 46 -5.881 -7.169 3.460 1.00 0.00 H new ATOM 0 HA SER A 46 -4.115 -8.968 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.505 -6.362 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.160 -6.939 2.216 1.00 0.00 H new ATOM 0 HG SER A 46 -2.314 -8.983 1.067 1.00 0.00 H new ATOM 707 N TYR A 47 -4.238 -8.207 5.127 1.00 0.00 N ATOM 708 CA TYR A 47 -3.765 -7.975 6.551 1.00 0.00 C ATOM 709 C TYR A 47 -4.516 -8.755 7.675 1.00 0.00 C ATOM 710 O TYR A 47 -4.352 -8.426 8.841 1.00 0.00 O ATOM 711 CB TYR A 47 -3.859 -6.459 6.841 1.00 0.00 C ATOM 712 CG TYR A 47 -5.281 -5.910 6.762 1.00 0.00 C ATOM 713 CD1 TYR A 47 -6.381 -6.725 6.448 1.00 0.00 C ATOM 714 CD2 TYR A 47 -5.475 -4.557 7.002 1.00 0.00 C ATOM 715 CE1 TYR A 47 -7.660 -6.187 6.377 1.00 0.00 C ATOM 716 CE2 TYR A 47 -6.758 -4.012 6.935 1.00 0.00 C ATOM 717 CZ TYR A 47 -7.858 -4.823 6.621 1.00 0.00 C ATOM 718 OH TYR A 47 -9.131 -4.285 6.553 1.00 0.00 O ATOM 0 H TYR A 47 -5.100 -8.744 5.030 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.748 -8.366 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.457 -6.262 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.231 -5.922 6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.231 -7.778 6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.632 -3.925 7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.500 -6.820 6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.905 -2.959 7.126 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.091 -3.402 6.129 1.00 0.00 H new ATOM 728 N GLY A 48 -5.322 -9.753 7.376 1.00 0.00 N ATOM 729 CA GLY A 48 -6.042 -10.511 8.471 1.00 0.00 C ATOM 730 C GLY A 48 -7.372 -9.838 8.868 1.00 0.00 C ATOM 731 O GLY A 48 -8.363 -10.514 9.077 1.00 0.00 O ATOM 0 H GLY A 48 -5.515 -10.078 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.238 -11.530 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.397 -10.581 9.347 1.00 0.00 H new ATOM 735 N ARG A 49 -7.388 -8.522 8.992 1.00 0.00 N ATOM 736 CA ARG A 49 -8.636 -7.776 9.387 1.00 0.00 C ATOM 737 C ARG A 49 -9.733 -7.890 8.301 1.00 0.00 C ATOM 738 O ARG A 49 -9.574 -8.571 7.298 1.00 0.00 O ATOM 739 CB ARG A 49 -8.279 -6.289 9.562 1.00 0.00 C ATOM 740 CG ARG A 49 -7.762 -6.019 10.981 1.00 0.00 C ATOM 741 CD ARG A 49 -6.328 -5.477 10.918 1.00 0.00 C ATOM 742 NE ARG A 49 -6.347 -4.057 10.430 1.00 0.00 N ATOM 743 CZ ARG A 49 -5.422 -3.225 10.795 1.00 0.00 C ATOM 744 NH1 ARG A 49 -4.337 -3.122 10.098 1.00 0.00 N ATOM 745 NH2 ARG A 49 -5.585 -2.510 11.862 1.00 0.00 N ATOM 0 H ARG A 49 -6.575 -7.926 8.833 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.018 -8.208 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.521 -6.004 8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.157 -5.674 9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.410 -5.301 11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.788 -6.937 11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.866 -5.527 11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.725 -6.093 10.251 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.092 -3.745 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.211 -3.695 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.608 -2.468 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.439 -2.602 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.860 -1.854 12.152 1.00 0.00 H new ATOM 759 N LYS A 50 -10.844 -7.193 8.509 1.00 0.00 N ATOM 760 CA LYS A 50 -11.992 -7.178 7.537 1.00 0.00 C ATOM 761 C LYS A 50 -12.776 -8.512 7.590 1.00 0.00 C ATOM 762 O LYS A 50 -13.074 -9.119 6.570 1.00 0.00 O ATOM 763 CB LYS A 50 -11.473 -6.879 6.108 1.00 0.00 C ATOM 764 CG LYS A 50 -12.059 -5.563 5.587 1.00 0.00 C ATOM 765 CD LYS A 50 -13.108 -5.845 4.500 1.00 0.00 C ATOM 766 CE LYS A 50 -14.323 -6.568 5.104 1.00 0.00 C ATOM 767 NZ LYS A 50 -15.509 -6.399 4.215 1.00 0.00 N ATOM 0 H LYS A 50 -10.999 -6.620 9.339 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.684 -6.385 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.385 -6.821 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.745 -7.695 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.514 -5.009 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.264 -4.937 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.425 -4.909 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.669 -6.455 3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.101 -7.628 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.540 -6.167 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.164 -7.195 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.992 -5.508 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.199 -6.377 3.223 1.00 0.00 H new ATOM 781 N LYS A 51 -13.158 -8.940 8.783 1.00 0.00 N ATOM 782 CA LYS A 51 -13.973 -10.206 8.932 1.00 0.00 C ATOM 783 C LYS A 51 -15.472 -9.850 8.739 1.00 0.00 C ATOM 784 O LYS A 51 -16.302 -10.037 9.618 1.00 0.00 O ATOM 785 CB LYS A 51 -13.711 -10.858 10.316 1.00 0.00 C ATOM 786 CG LYS A 51 -13.967 -9.864 11.468 1.00 0.00 C ATOM 787 CD LYS A 51 -14.458 -10.624 12.708 1.00 0.00 C ATOM 788 CE LYS A 51 -13.265 -11.261 13.432 1.00 0.00 C ATOM 789 NZ LYS A 51 -13.758 -12.097 14.569 1.00 0.00 N ATOM 0 H LYS A 51 -12.940 -8.467 9.660 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.682 -10.936 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.355 -11.729 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.682 -11.213 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.052 -9.320 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.709 -9.125 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.982 -9.944 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.171 -11.394 12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.691 -11.875 12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.594 -10.485 13.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.949 -12.528 15.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.288 -11.499 15.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.381 -12.846 14.205 1.00 0.00 H new ATOM 803 N ARG A 52 -15.802 -9.315 7.578 1.00 0.00 N ATOM 804 CA ARG A 52 -17.207 -8.903 7.268 1.00 0.00 C ATOM 805 C ARG A 52 -17.559 -9.346 5.840 1.00 0.00 C ATOM 806 O ARG A 52 -16.780 -9.137 4.913 1.00 0.00 O ATOM 807 CB ARG A 52 -17.319 -7.373 7.384 1.00 0.00 C ATOM 808 CG ARG A 52 -17.224 -6.957 8.859 1.00 0.00 C ATOM 809 CD ARG A 52 -17.006 -5.445 8.963 1.00 0.00 C ATOM 810 NE ARG A 52 -18.221 -4.816 9.573 1.00 0.00 N ATOM 811 CZ ARG A 52 -18.126 -4.127 10.668 1.00 0.00 C ATOM 812 NH1 ARG A 52 -17.683 -2.909 10.624 1.00 0.00 N ATOM 813 NH2 ARG A 52 -18.475 -4.662 11.797 1.00 0.00 N ATOM 0 H ARG A 52 -15.139 -9.146 6.822 1.00 0.00 H new ATOM 0 HA ARG A 52 -17.898 -9.370 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.525 -6.896 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.265 -7.035 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.137 -7.238 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.402 -7.485 9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.127 -5.233 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.820 -5.023 7.975 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.130 -4.930 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.411 -2.497 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.606 -2.363 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.822 -5.621 11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.402 -4.124 12.660 1.00 0.00 H new ATOM 827 N ARG A 53 -18.720 -9.961 5.670 1.00 0.00 N ATOM 828 CA ARG A 53 -19.175 -10.452 4.312 1.00 0.00 C ATOM 829 C ARG A 53 -19.018 -9.350 3.237 1.00 0.00 C ATOM 830 O ARG A 53 -19.463 -8.225 3.412 1.00 0.00 O ATOM 831 CB ARG A 53 -20.649 -10.925 4.379 1.00 0.00 C ATOM 832 CG ARG A 53 -21.547 -9.864 5.048 1.00 0.00 C ATOM 833 CD ARG A 53 -22.899 -9.804 4.334 1.00 0.00 C ATOM 834 NE ARG A 53 -23.854 -8.986 5.154 1.00 0.00 N ATOM 835 CZ ARG A 53 -24.943 -9.514 5.623 1.00 0.00 C ATOM 836 NH1 ARG A 53 -24.910 -10.184 6.735 1.00 0.00 N ATOM 837 NH2 ARG A 53 -26.061 -9.361 4.981 1.00 0.00 N ATOM 0 H ARG A 53 -19.380 -10.146 6.425 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.543 -11.294 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -21.013 -11.131 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.709 -11.859 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -21.692 -10.108 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -21.062 -8.888 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -22.782 -9.364 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -23.293 -10.810 4.191 1.00 0.00 H new ATOM 0 HE ARG A 53 -23.645 -8.006 5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -24.030 -10.294 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -25.765 -10.600 7.105 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -26.081 -8.828 4.112 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -26.919 -9.774 5.346 1.00 0.00 H new ATOM 851 N GLN A 54 -18.366 -9.677 2.138 1.00 0.00 N ATOM 852 CA GLN A 54 -18.142 -8.676 1.039 1.00 0.00 C ATOM 853 C GLN A 54 -18.227 -9.367 -0.341 1.00 0.00 C ATOM 854 O GLN A 54 -17.632 -10.411 -0.557 1.00 0.00 O ATOM 855 CB GLN A 54 -16.762 -8.000 1.223 1.00 0.00 C ATOM 856 CG GLN A 54 -15.618 -9.041 1.195 1.00 0.00 C ATOM 857 CD GLN A 54 -14.478 -8.610 2.128 1.00 0.00 C ATOM 858 OE1 GLN A 54 -13.953 -7.520 2.005 1.00 0.00 O ATOM 859 NE2 GLN A 54 -14.081 -9.407 3.075 1.00 0.00 N ATOM 0 H GLN A 54 -17.977 -10.602 1.956 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.918 -7.913 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -16.607 -7.265 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -16.742 -7.460 2.170 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -15.998 -10.016 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.242 -9.150 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.515 -10.323 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.335 -9.116 3.707 1.00 0.00 H new ATOM 868 N ARG A 55 -18.962 -8.782 -1.267 1.00 0.00 N ATOM 869 CA ARG A 55 -19.097 -9.375 -2.642 1.00 0.00 C ATOM 870 C ARG A 55 -18.437 -8.418 -3.668 1.00 0.00 C ATOM 871 O ARG A 55 -19.101 -7.771 -4.467 1.00 0.00 O ATOM 872 CB ARG A 55 -20.593 -9.600 -2.950 1.00 0.00 C ATOM 873 CG ARG A 55 -20.787 -10.983 -3.584 1.00 0.00 C ATOM 874 CD ARG A 55 -22.281 -11.238 -3.810 1.00 0.00 C ATOM 875 NE ARG A 55 -22.481 -12.650 -4.271 1.00 0.00 N ATOM 876 CZ ARG A 55 -23.001 -12.895 -5.436 1.00 0.00 C ATOM 877 NH1 ARG A 55 -22.242 -12.903 -6.489 1.00 0.00 N ATOM 878 NH2 ARG A 55 -24.275 -13.126 -5.538 1.00 0.00 N ATOM 0 H ARG A 55 -19.477 -7.913 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 55 -18.592 -10.339 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -21.178 -9.524 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -20.956 -8.825 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -20.251 -11.039 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -20.370 -11.754 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -22.835 -11.063 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -22.672 -10.542 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 55 -22.207 -13.424 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -21.243 -12.718 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -22.645 -13.095 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -24.864 -13.115 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -24.687 -13.319 -6.451 1.00 0.00 H new ATOM 892 N ARG A 56 -17.119 -8.323 -3.624 1.00 0.00 N ATOM 893 CA ARG A 56 -16.364 -7.415 -4.558 1.00 0.00 C ATOM 894 C ARG A 56 -14.982 -8.022 -4.895 1.00 0.00 C ATOM 895 O ARG A 56 -14.503 -8.912 -4.207 1.00 0.00 O ATOM 896 CB ARG A 56 -16.172 -6.047 -3.873 1.00 0.00 C ATOM 897 CG ARG A 56 -17.295 -5.082 -4.290 1.00 0.00 C ATOM 898 CD ARG A 56 -16.738 -3.986 -5.210 1.00 0.00 C ATOM 899 NE ARG A 56 -17.666 -3.804 -6.375 1.00 0.00 N ATOM 900 CZ ARG A 56 -18.681 -2.996 -6.293 1.00 0.00 C ATOM 901 NH1 ARG A 56 -18.542 -1.749 -6.627 1.00 0.00 N ATOM 902 NH2 ARG A 56 -19.828 -3.444 -5.884 1.00 0.00 N ATOM 0 H ARG A 56 -16.531 -8.843 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 56 -16.928 -7.297 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.173 -6.171 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.203 -5.628 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -18.084 -5.631 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -17.744 -4.631 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.636 -3.050 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.743 -4.260 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.499 -4.319 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.638 -1.406 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.337 -1.112 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.930 -4.426 -5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.627 -2.814 -5.818 1.00 0.00 H new ATOM 916 N ARG A 57 -14.335 -7.532 -5.938 1.00 0.00 N ATOM 917 CA ARG A 57 -12.970 -8.057 -6.319 1.00 0.00 C ATOM 918 C ARG A 57 -11.886 -7.356 -5.459 1.00 0.00 C ATOM 919 O ARG A 57 -12.166 -6.341 -4.836 1.00 0.00 O ATOM 920 CB ARG A 57 -12.628 -7.790 -7.812 1.00 0.00 C ATOM 921 CG ARG A 57 -13.874 -7.740 -8.714 1.00 0.00 C ATOM 922 CD ARG A 57 -13.447 -7.959 -10.172 1.00 0.00 C ATOM 923 NE ARG A 57 -12.742 -6.732 -10.679 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.515 -6.796 -11.100 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.259 -7.303 -12.267 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.555 -6.336 -10.361 1.00 0.00 N ATOM 0 H ARG A 57 -14.693 -6.792 -6.542 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.987 -9.133 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.090 -6.846 -7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.957 -8.571 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.588 -8.506 -8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.376 -6.778 -8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.789 -8.825 -10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.320 -8.171 -10.790 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.233 -5.838 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.020 -7.650 -12.851 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.296 -7.355 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.764 -5.925 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.590 -6.385 -10.689 1.00 0.00 H new ATOM 940 N PRO A 58 -10.663 -7.889 -5.479 1.00 0.00 N ATOM 941 CA PRO A 58 -9.528 -7.289 -4.737 1.00 0.00 C ATOM 942 C PRO A 58 -9.017 -6.039 -5.499 1.00 0.00 C ATOM 943 O PRO A 58 -8.003 -6.079 -6.184 1.00 0.00 O ATOM 944 CB PRO A 58 -8.485 -8.417 -4.699 1.00 0.00 C ATOM 945 CG PRO A 58 -8.824 -9.374 -5.861 1.00 0.00 C ATOM 946 CD PRO A 58 -10.297 -9.124 -6.226 1.00 0.00 C ATOM 0 HA PRO A 58 -9.780 -6.944 -3.734 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.477 -8.016 -4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.517 -8.941 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.176 -9.187 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.670 -10.412 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.422 -8.990 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.926 -9.965 -5.935 1.00 0.00 H new ATOM 954 N SER A 59 -9.754 -4.936 -5.396 1.00 0.00 N ATOM 955 CA SER A 59 -9.392 -3.652 -6.110 1.00 0.00 C ATOM 956 C SER A 59 -9.463 -3.846 -7.652 1.00 0.00 C ATOM 957 O SER A 59 -9.928 -4.870 -8.136 1.00 0.00 O ATOM 958 CB SER A 59 -7.991 -3.184 -5.638 1.00 0.00 C ATOM 959 OG SER A 59 -6.990 -3.428 -6.633 1.00 0.00 O ATOM 0 H SER A 59 -10.605 -4.876 -4.836 1.00 0.00 H new ATOM 0 HA SER A 59 -10.111 -2.872 -5.860 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.022 -2.120 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.724 -3.704 -4.718 1.00 0.00 H new ATOM 0 HG SER A 59 -6.973 -4.383 -6.853 1.00 0.00 H new ATOM 965 N GLN A 60 -9.014 -2.868 -8.424 1.00 0.00 N ATOM 966 CA GLN A 60 -9.048 -2.993 -9.925 1.00 0.00 C ATOM 967 C GLN A 60 -7.719 -2.490 -10.565 1.00 0.00 C ATOM 968 O GLN A 60 -7.710 -2.054 -11.707 1.00 0.00 O ATOM 969 CB GLN A 60 -10.249 -2.189 -10.462 1.00 0.00 C ATOM 970 CG GLN A 60 -10.761 -2.816 -11.776 1.00 0.00 C ATOM 971 CD GLN A 60 -12.281 -3.005 -11.712 1.00 0.00 C ATOM 972 OE1 GLN A 60 -12.762 -3.934 -11.102 1.00 0.00 O ATOM 973 NE2 GLN A 60 -13.065 -2.165 -12.321 1.00 0.00 N ATOM 0 H GLN A 60 -8.627 -1.991 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.157 -4.044 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.048 -2.175 -9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.956 -1.153 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.501 -2.176 -12.619 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.274 -3.777 -11.944 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.669 -1.380 -12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.076 -2.292 -12.282 1.00 0.00 H new ATOM 982 N GLY A 61 -6.594 -2.567 -9.857 1.00 0.00 N ATOM 983 CA GLY A 61 -5.286 -2.107 -10.454 1.00 0.00 C ATOM 984 C GLY A 61 -4.132 -2.257 -9.453 1.00 0.00 C ATOM 985 O GLY A 61 -3.704 -3.359 -9.154 1.00 0.00 O ATOM 0 H GLY A 61 -6.532 -2.925 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.070 -2.687 -11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.371 -1.065 -10.761 1.00 0.00 H new ATOM 989 N GLY A 62 -3.619 -1.150 -8.957 1.00 0.00 N ATOM 990 CA GLY A 62 -2.461 -1.173 -7.980 1.00 0.00 C ATOM 991 C GLY A 62 -2.855 -1.591 -6.528 1.00 0.00 C ATOM 992 O GLY A 62 -1.987 -1.620 -5.670 1.00 0.00 O ATOM 0 H GLY A 62 -3.955 -0.215 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.702 -1.862 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.006 -0.183 -7.950 1.00 0.00 H new ATOM 996 N GLN A 63 -4.124 -1.904 -6.244 1.00 0.00 N ATOM 997 CA GLN A 63 -4.583 -2.327 -4.857 1.00 0.00 C ATOM 998 C GLN A 63 -4.734 -1.113 -3.904 1.00 0.00 C ATOM 999 O GLN A 63 -4.291 -1.157 -2.763 1.00 0.00 O ATOM 1000 CB GLN A 63 -3.624 -3.394 -4.257 1.00 0.00 C ATOM 1001 CG GLN A 63 -4.247 -4.126 -3.028 1.00 0.00 C ATOM 1002 CD GLN A 63 -5.765 -4.328 -3.164 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -6.211 -5.227 -3.837 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -6.581 -3.521 -2.546 1.00 0.00 N ATOM 0 H GLN A 63 -4.873 -1.882 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.570 -2.777 -4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.373 -4.126 -5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.692 -2.914 -3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.765 -5.096 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.041 -3.551 -2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.211 -2.760 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.589 -3.651 -2.632 1.00 0.00 H new ATOM 1013 N THR A 64 -5.404 -0.056 -4.364 1.00 0.00 N ATOM 1014 CA THR A 64 -5.675 1.192 -3.526 1.00 0.00 C ATOM 1015 C THR A 64 -4.454 1.541 -2.658 1.00 0.00 C ATOM 1016 O THR A 64 -4.444 1.362 -1.447 1.00 0.00 O ATOM 1017 CB THR A 64 -6.945 1.002 -2.644 1.00 0.00 C ATOM 1018 OG1 THR A 64 -7.571 -0.264 -2.874 1.00 0.00 O ATOM 1019 CG2 THR A 64 -7.941 2.116 -2.957 1.00 0.00 C ATOM 0 H THR A 64 -5.784 -0.005 -5.309 1.00 0.00 H new ATOM 0 HA THR A 64 -5.857 2.024 -4.206 1.00 0.00 H new ATOM 0 HB THR A 64 -6.637 1.039 -1.599 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.805 -0.346 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.833 1.990 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.486 3.082 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.216 2.072 -4.011 1.00 0.00 H new ATOM 1027 N HIS A 65 -3.412 1.998 -3.299 1.00 0.00 N ATOM 1028 CA HIS A 65 -2.149 2.314 -2.593 1.00 0.00 C ATOM 1029 C HIS A 65 -2.101 3.786 -2.079 1.00 0.00 C ATOM 1030 O HIS A 65 -1.298 4.107 -1.221 1.00 0.00 O ATOM 1031 CB HIS A 65 -1.006 1.961 -3.583 1.00 0.00 C ATOM 1032 CG HIS A 65 -0.144 3.140 -3.966 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -0.127 3.924 -5.084 1.00 0.00 N flip ATOM 1034 CD2 HIS A 65 0.858 3.621 -3.147 1.00 0.00 C flip ATOM 1035 CE1 HIS A 65 0.869 4.885 -4.969 1.00 0.00 C flip ATOM 1036 NE2 HIS A 65 1.435 4.658 -3.781 1.00 0.00 N flip ATOM 0 H HIS A 65 -3.389 2.167 -4.305 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.049 1.728 -1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.376 1.192 -3.136 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.440 1.532 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.129 3.235 -2.175 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.129 5.650 -5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.209 5.203 -3.401 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.909 4.680 -2.628 1.00 0.00 N ATOM 1045 CA GLN A 66 -2.846 6.130 -2.198 1.00 0.00 C ATOM 1046 C GLN A 66 -4.232 6.813 -2.073 1.00 0.00 C ATOM 1047 O GLN A 66 -4.345 7.837 -1.424 1.00 0.00 O ATOM 1048 CB GLN A 66 -1.881 6.840 -3.197 1.00 0.00 C ATOM 1049 CG GLN A 66 -2.411 8.199 -3.740 1.00 0.00 C ATOM 1050 CD GLN A 66 -1.778 9.361 -2.964 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -0.857 9.986 -3.438 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -2.232 9.685 -1.790 1.00 0.00 N ATOM 0 H GLN A 66 -3.602 4.472 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.464 6.205 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.924 7.007 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.693 6.174 -4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.179 8.291 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.496 8.238 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.008 9.164 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.812 10.460 -1.277 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.267 6.269 -2.654 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.621 6.878 -2.547 1.00 0.00 C ATOM 1063 C ASP A 67 -7.194 6.760 -1.089 1.00 0.00 C ATOM 1064 O ASP A 67 -7.777 7.709 -0.604 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.515 6.141 -3.540 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.412 7.128 -4.293 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -9.481 7.431 -3.797 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -7.993 7.583 -5.344 1.00 0.00 O ATOM 0 H ASP A 67 -5.229 5.413 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.576 7.943 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.900 5.586 -4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.130 5.412 -3.012 1.00 0.00 H new ATOM 1073 N PRO A 68 -7.035 5.601 -0.430 1.00 0.00 N ATOM 1074 CA PRO A 68 -7.541 5.380 0.951 1.00 0.00 C ATOM 1075 C PRO A 68 -6.506 5.825 2.016 1.00 0.00 C ATOM 1076 O PRO A 68 -5.896 5.025 2.705 1.00 0.00 O ATOM 1077 CB PRO A 68 -7.732 3.875 1.007 1.00 0.00 C ATOM 1078 CG PRO A 68 -6.765 3.294 -0.023 1.00 0.00 C ATOM 1079 CD PRO A 68 -6.390 4.407 -0.991 1.00 0.00 C ATOM 0 HA PRO A 68 -8.446 5.950 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.518 3.491 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.761 3.603 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.876 2.900 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.229 2.464 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.309 4.531 -1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.748 4.197 -1.999 1.00 0.00 H new ATOM 1087 N ILE A 69 -6.294 7.091 2.120 1.00 0.00 N ATOM 1088 CA ILE A 69 -5.287 7.646 3.101 1.00 0.00 C ATOM 1089 C ILE A 69 -5.935 8.708 4.055 1.00 0.00 C ATOM 1090 O ILE A 69 -7.098 9.047 3.897 1.00 0.00 O ATOM 1091 CB ILE A 69 -4.117 8.219 2.315 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -4.556 9.454 1.552 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -3.561 7.173 1.337 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -3.355 10.359 1.483 1.00 0.00 C ATOM 0 H ILE A 69 -6.776 7.798 1.564 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.926 6.847 3.749 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.331 8.494 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.902 9.191 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.386 9.948 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.725 7.601 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.219 6.300 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.344 6.875 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.615 11.268 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.035 10.617 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.544 9.848 0.965 1.00 0.00 H new ATOM 1106 N PRO A 70 -5.178 9.175 5.057 1.00 0.00 N ATOM 1107 CA PRO A 70 -5.685 10.146 6.055 1.00 0.00 C ATOM 1108 C PRO A 70 -5.558 11.608 5.557 1.00 0.00 C ATOM 1109 O PRO A 70 -4.465 12.129 5.425 1.00 0.00 O ATOM 1110 CB PRO A 70 -4.790 9.884 7.278 1.00 0.00 C ATOM 1111 CG PRO A 70 -3.491 9.223 6.746 1.00 0.00 C ATOM 1112 CD PRO A 70 -3.768 8.788 5.295 1.00 0.00 C ATOM 0 HA PRO A 70 -6.747 10.022 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.565 10.814 7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.292 9.231 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.657 9.924 6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.216 8.365 7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.096 9.286 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.623 7.715 5.167 1.00 0.00 H new ATOM 1120 N LYS A 71 -6.692 12.260 5.297 1.00 0.00 N ATOM 1121 CA LYS A 71 -6.731 13.697 4.812 1.00 0.00 C ATOM 1122 C LYS A 71 -6.060 13.812 3.426 1.00 0.00 C ATOM 1123 O LYS A 71 -4.849 13.915 3.312 1.00 0.00 O ATOM 1124 CB LYS A 71 -6.053 14.636 5.837 1.00 0.00 C ATOM 1125 CG LYS A 71 -6.796 14.584 7.177 1.00 0.00 C ATOM 1126 CD LYS A 71 -8.068 15.436 7.100 1.00 0.00 C ATOM 1127 CE LYS A 71 -8.557 15.748 8.514 1.00 0.00 C ATOM 1128 NZ LYS A 71 -9.994 16.168 8.466 1.00 0.00 N ATOM 0 H LYS A 71 -7.615 11.839 5.406 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.772 14.005 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.013 14.342 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.046 15.657 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.052 13.553 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.150 14.950 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.867 16.362 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.841 14.905 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.445 14.870 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.950 16.540 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.326 16.380 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.088 17.017 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.567 15.399 8.064 1.00 0.00 H new ATOM 1142 N GLN A 72 -6.851 13.760 2.364 1.00 0.00 N ATOM 1143 CA GLN A 72 -6.272 13.819 0.974 1.00 0.00 C ATOM 1144 C GLN A 72 -7.363 14.117 -0.097 1.00 0.00 C ATOM 1145 O GLN A 72 -8.546 14.013 0.189 1.00 0.00 O ATOM 1146 CB GLN A 72 -5.598 12.440 0.708 1.00 0.00 C ATOM 1147 CG GLN A 72 -6.517 11.438 -0.047 1.00 0.00 C ATOM 1148 CD GLN A 72 -7.573 10.796 0.881 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -7.439 9.666 1.265 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -8.648 11.439 1.226 1.00 0.00 N ATOM 0 H GLN A 72 -7.867 13.680 2.404 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.549 14.632 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.688 12.595 0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.299 12.001 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.021 11.955 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.906 10.654 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.789 12.400 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.351 10.983 1.808 1.00 0.00 H new ATOM 1159 N PRO A 73 -6.932 14.401 -1.326 1.00 0.00 N ATOM 1160 CA PRO A 73 -7.855 14.611 -2.472 1.00 0.00 C ATOM 1161 C PRO A 73 -8.256 13.219 -3.071 1.00 0.00 C ATOM 1162 O PRO A 73 -8.083 12.957 -4.253 1.00 0.00 O ATOM 1163 CB PRO A 73 -7.010 15.441 -3.454 1.00 0.00 C ATOM 1164 CG PRO A 73 -5.527 15.165 -3.104 1.00 0.00 C ATOM 1165 CD PRO A 73 -5.501 14.572 -1.682 1.00 0.00 C ATOM 0 HA PRO A 73 -8.789 15.111 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.224 15.158 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.239 16.503 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.085 14.471 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.943 16.084 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.969 13.621 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.995 15.238 -0.983 1.00 0.00 H new ATOM 1173 N SER A 74 -8.784 12.337 -2.230 1.00 0.00 N ATOM 1174 CA SER A 74 -9.203 10.955 -2.653 1.00 0.00 C ATOM 1175 C SER A 74 -10.453 10.553 -1.812 1.00 0.00 C ATOM 1176 O SER A 74 -11.333 11.388 -1.670 1.00 0.00 O ATOM 1177 CB SER A 74 -8.028 9.984 -2.459 1.00 0.00 C ATOM 1178 OG SER A 74 -6.885 10.449 -3.176 1.00 0.00 O ATOM 0 H SER A 74 -8.943 12.531 -1.241 1.00 0.00 H new ATOM 0 HA SER A 74 -9.472 10.923 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.791 9.895 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.306 8.990 -2.808 1.00 0.00 H new ATOM 0 HG SER A 74 -6.070 10.162 -2.714 1.00 0.00 H new ATOM 1184 N SER A 75 -10.576 9.332 -1.229 1.00 0.00 N ATOM 1185 CA SER A 75 -11.850 9.018 -0.413 1.00 0.00 C ATOM 1186 C SER A 75 -11.907 7.574 0.204 1.00 0.00 C ATOM 1187 O SER A 75 -12.919 6.904 0.056 1.00 0.00 O ATOM 1188 CB SER A 75 -13.094 9.194 -1.328 1.00 0.00 C ATOM 1189 OG SER A 75 -14.260 9.341 -0.522 1.00 0.00 O ATOM 0 H SER A 75 -9.887 8.581 -1.280 1.00 0.00 H new ATOM 0 HA SER A 75 -11.836 9.715 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.968 10.068 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.200 8.331 -1.986 1.00 0.00 H new ATOM 0 HG SER A 75 -15.044 9.453 -1.099 1.00 0.00 H new ATOM 1195 N GLN A 76 -10.873 7.104 0.921 1.00 0.00 N ATOM 1196 CA GLN A 76 -10.888 5.705 1.579 1.00 0.00 C ATOM 1197 C GLN A 76 -11.716 4.628 0.781 1.00 0.00 C ATOM 1198 O GLN A 76 -12.556 3.943 1.355 1.00 0.00 O ATOM 1199 CB GLN A 76 -11.412 5.856 3.037 1.00 0.00 C ATOM 1200 CG GLN A 76 -12.952 6.022 3.090 1.00 0.00 C ATOM 1201 CD GLN A 76 -13.328 7.448 3.516 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -12.983 7.887 4.590 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -14.031 8.196 2.716 1.00 0.00 N ATOM 0 H GLN A 76 -10.014 7.629 1.081 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.867 5.324 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.122 4.981 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.939 6.720 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.380 5.804 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.377 5.303 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.327 7.835 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.286 9.143 2.996 1.00 0.00 H new ATOM 1212 N PRO A 77 -11.493 4.495 -0.527 1.00 0.00 N ATOM 1213 CA PRO A 77 -12.266 3.548 -1.335 1.00 0.00 C ATOM 1214 C PRO A 77 -11.632 2.150 -1.270 1.00 0.00 C ATOM 1215 O PRO A 77 -10.983 1.803 -0.299 1.00 0.00 O ATOM 1216 CB PRO A 77 -12.200 4.164 -2.736 1.00 0.00 C ATOM 1217 CG PRO A 77 -10.949 5.054 -2.769 1.00 0.00 C ATOM 1218 CD PRO A 77 -10.475 5.215 -1.323 1.00 0.00 C ATOM 0 HA PRO A 77 -13.293 3.403 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.142 3.387 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.096 4.748 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.170 4.601 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.178 6.024 -3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.482 4.789 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.416 6.265 -1.038 1.00 0.00 H new ATOM 1226 N ARG A 78 -11.850 1.342 -2.272 1.00 0.00 N ATOM 1227 CA ARG A 78 -11.322 -0.036 -2.285 1.00 0.00 C ATOM 1228 C ARG A 78 -10.774 -0.424 -3.696 1.00 0.00 C ATOM 1229 O ARG A 78 -10.619 -1.600 -3.990 1.00 0.00 O ATOM 1230 CB ARG A 78 -12.510 -0.921 -1.887 1.00 0.00 C ATOM 1231 CG ARG A 78 -12.209 -1.703 -0.596 1.00 0.00 C ATOM 1232 CD ARG A 78 -12.640 -0.870 0.643 1.00 0.00 C ATOM 1233 NE ARG A 78 -12.642 -1.707 1.917 1.00 0.00 N ATOM 1234 CZ ARG A 78 -12.383 -2.991 1.915 1.00 0.00 C ATOM 1235 NH1 ARG A 78 -11.158 -3.405 2.037 1.00 0.00 N ATOM 1236 NH2 ARG A 78 -13.357 -3.844 1.817 1.00 0.00 N ATOM 0 H ARG A 78 -12.388 1.595 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.481 -0.153 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.396 -0.303 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.735 -1.618 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.739 -2.656 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.145 -1.931 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.963 -0.024 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.636 -0.460 0.476 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.853 -1.250 2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.399 -2.731 2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.955 -4.405 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.319 -3.513 1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.160 -4.845 1.815 1.00 0.00 H new ATOM 1250 N GLY A 79 -10.479 0.545 -4.565 1.00 0.00 N ATOM 1251 CA GLY A 79 -9.955 0.228 -5.939 1.00 0.00 C ATOM 1252 C GLY A 79 -8.502 0.692 -6.092 1.00 0.00 C ATOM 1253 O GLY A 79 -7.598 -0.110 -5.966 1.00 0.00 O ATOM 0 H GLY A 79 -10.583 1.541 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.019 -0.845 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.577 0.714 -6.691 1.00 0.00 H new ATOM 1257 N ASP A 80 -8.266 1.955 -6.409 1.00 0.00 N ATOM 1258 CA ASP A 80 -6.872 2.440 -6.622 1.00 0.00 C ATOM 1259 C ASP A 80 -6.742 3.986 -6.439 1.00 0.00 C ATOM 1260 O ASP A 80 -7.738 4.683 -6.427 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.554 2.047 -8.062 1.00 0.00 C ATOM 1262 CG ASP A 80 -5.135 1.511 -8.185 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -4.678 0.842 -7.269 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -4.519 1.770 -9.196 1.00 0.00 O ATOM 0 H ASP A 80 -8.989 2.664 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.187 2.006 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.262 1.290 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.677 2.912 -8.714 1.00 0.00 H new ATOM 1269 N PRO A 81 -5.493 4.487 -6.326 1.00 0.00 N ATOM 1270 CA PRO A 81 -5.211 5.932 -6.174 1.00 0.00 C ATOM 1271 C PRO A 81 -5.265 6.581 -7.554 1.00 0.00 C ATOM 1272 O PRO A 81 -4.251 6.776 -8.216 1.00 0.00 O ATOM 1273 CB PRO A 81 -3.800 5.971 -5.591 1.00 0.00 C ATOM 1274 CG PRO A 81 -3.137 4.629 -5.956 1.00 0.00 C ATOM 1275 CD PRO A 81 -4.262 3.671 -6.355 1.00 0.00 C ATOM 0 HA PRO A 81 -5.919 6.465 -5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.234 6.807 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.831 6.107 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.431 4.758 -6.776 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.575 4.233 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.090 3.253 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.329 2.832 -5.662 1.00 0.00 H new ATOM 1283 N THR A 82 -6.449 6.880 -8.003 1.00 0.00 N ATOM 1284 CA THR A 82 -6.622 7.478 -9.351 1.00 0.00 C ATOM 1285 C THR A 82 -7.484 8.765 -9.251 1.00 0.00 C ATOM 1286 O THR A 82 -8.270 9.077 -10.134 1.00 0.00 O ATOM 1287 CB THR A 82 -7.236 6.398 -10.287 1.00 0.00 C ATOM 1288 OG1 THR A 82 -8.456 5.905 -9.738 1.00 0.00 O ATOM 1289 CG2 THR A 82 -6.251 5.214 -10.456 1.00 0.00 C ATOM 0 H THR A 82 -7.316 6.733 -7.485 1.00 0.00 H new ATOM 0 HA THR A 82 -5.666 7.785 -9.776 1.00 0.00 H new ATOM 0 HB THR A 82 -7.429 6.857 -11.257 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.834 5.227 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.692 4.465 -11.113 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.319 5.575 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.048 4.768 -9.482 1.00 0.00 H new ATOM 1297 N GLY A 83 -7.303 9.533 -8.175 1.00 0.00 N ATOM 1298 CA GLY A 83 -8.054 10.815 -7.974 1.00 0.00 C ATOM 1299 C GLY A 83 -9.367 10.552 -7.210 1.00 0.00 C ATOM 1300 O GLY A 83 -9.324 10.160 -6.060 1.00 0.00 O ATOM 0 H GLY A 83 -6.652 9.308 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.438 11.522 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.272 11.272 -8.939 1.00 0.00 H new ATOM 1304 N PRO A 84 -10.505 10.774 -7.865 1.00 0.00 N ATOM 1305 CA PRO A 84 -11.839 10.557 -7.278 1.00 0.00 C ATOM 1306 C PRO A 84 -12.378 9.268 -7.943 1.00 0.00 C ATOM 1307 O PRO A 84 -13.506 9.225 -8.406 1.00 0.00 O ATOM 1308 CB PRO A 84 -12.604 11.782 -7.822 1.00 0.00 C ATOM 1309 CG PRO A 84 -11.865 12.195 -9.138 1.00 0.00 C ATOM 1310 CD PRO A 84 -10.624 11.284 -9.242 1.00 0.00 C ATOM 0 HA PRO A 84 -11.895 10.458 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.647 11.535 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.601 12.598 -7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.514 12.068 -10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.575 13.245 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -10.767 10.480 -9.964 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.737 11.836 -9.551 1.00 0.00 H new ATOM 1318 N LYS A 85 -11.523 8.267 -8.090 1.00 0.00 N ATOM 1319 CA LYS A 85 -11.891 7.049 -8.835 1.00 0.00 C ATOM 1320 C LYS A 85 -11.704 5.779 -7.992 1.00 0.00 C ATOM 1321 O LYS A 85 -11.028 4.848 -8.388 1.00 0.00 O ATOM 1322 CB LYS A 85 -11.047 7.053 -10.122 1.00 0.00 C ATOM 1323 CG LYS A 85 -11.767 7.821 -11.237 1.00 0.00 C ATOM 1324 CD LYS A 85 -13.009 7.039 -11.719 1.00 0.00 C ATOM 1325 CE LYS A 85 -14.242 7.452 -10.894 1.00 0.00 C ATOM 1326 NZ LYS A 85 -14.819 6.265 -10.176 1.00 0.00 N ATOM 0 H LYS A 85 -10.576 8.263 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.952 7.047 -9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.077 7.510 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.858 6.028 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.067 8.804 -10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.086 7.984 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.186 7.236 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.836 5.967 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.963 8.220 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.995 7.889 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.115 6.548 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.642 5.908 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.100 5.517 -10.108 1.00 0.00 H new ATOM 1340 N GLU A 86 -12.378 5.795 -6.859 1.00 0.00 N ATOM 1341 CA GLU A 86 -12.445 4.675 -5.829 1.00 0.00 C ATOM 1342 C GLU A 86 -11.491 3.477 -6.094 1.00 0.00 C ATOM 1343 O GLU A 86 -11.812 2.618 -6.909 1.00 0.00 O ATOM 1344 CB GLU A 86 -13.907 4.164 -5.737 1.00 0.00 C ATOM 1345 CG GLU A 86 -14.900 5.333 -5.527 1.00 0.00 C ATOM 1346 CD GLU A 86 -15.474 5.793 -6.878 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -16.265 5.067 -7.456 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -15.107 6.869 -7.323 1.00 0.00 O ATOM 1349 OXT GLU A 86 -10.467 3.421 -5.436 1.00 0.00 O ATOM 0 H GLU A 86 -12.931 6.605 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.105 5.110 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.164 3.625 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.996 3.456 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.709 5.018 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.395 6.165 -5.036 1.00 0.00 H new TER 1356 GLU A 86