USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=27 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 17 GLN : amide:sc= -0.582 K(o=-1.5,f=-0.041) USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.952 K(o=-1.5,f=0.043) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.94 K(o=3.2,f=-1.9) USER MOD Set 2.2: A 46 SER OG : rot -159:sc= 1.25 USER MOD Set 3.1: A 33 HIS : no HE2:sc= -0.229 K(o=-6.5,f=-8) USER MOD Set 3.2: A 81 HIS : no HD1:sc= -6.31! C(o=-6.5!,f=-8.4!) USER MOD Set 4.1: A 23 ASN : amide:sc= 0.542 K(o=1.9,f=-0.48) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -136:sc= 1.33 (180deg=0.0824) USER MOD Set 5.1: A 16 SER OG : rot -31:sc= 1.27 USER MOD Set 5.2: A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0399 (180deg=-0.285) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0334 (180deg=-0.626) USER MOD Single : A 7 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.8) USER MOD Single : A 13 HIS : no HE2:sc= -0.46 K(o=-0.46,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 5:sc= 0.901 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.589 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -63:sc= -0.213 USER MOD Single : A 26 TYR OH : rot 44:sc= 0.443 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.589 (180deg=0.588) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0504 USER MOD Single : A 32 TYR OH : rot 129:sc= 0.427 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 41:sc= 0.82 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.27) USER MOD Single : A 47 TYR OH : rot -92:sc= 0.325 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.996) USER MOD Single : A 54 GLN : amide:sc= 0.693 K(o=0.69,f=-0.29) USER MOD Single : A 60 GLN : amide:sc= -0.65 K(o=-0.65,f=-3.8!) USER MOD Single : A 62 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.37) USER MOD Single : A 63 GLN : amide:sc= 0.68 K(o=0.68,f=-2.3!) USER MOD Single : A 66 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.6!) USER MOD Single : A 72 GLN : amide:sc= 0.962 K(o=0.96,f=-3.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.072 USER MOD Single : A 75 SER OG : rot 25:sc= 0.00532 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.328 K(o=0.33,f=-1.3) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 171:sc= 0.789 (180deg=0.565) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.755 5.101 -2.160 1.00 0.00 N ATOM 2 CA MET A 1 10.293 5.279 -2.160 1.00 0.00 C ATOM 3 C MET A 1 9.844 6.516 -1.318 1.00 0.00 C ATOM 4 O MET A 1 9.406 7.545 -1.825 1.00 0.00 O ATOM 5 CB MET A 1 9.567 3.968 -1.755 1.00 0.00 C ATOM 6 CG MET A 1 9.466 2.839 -2.805 1.00 0.00 C ATOM 7 SD MET A 1 8.530 1.429 -2.160 1.00 0.00 S ATOM 8 CE MET A 1 8.651 0.111 -3.423 1.00 0.00 C ATOM 0 H1 MET A 1 12.045 4.612 -3.031 1.00 0.00 H new ATOM 0 H2 MET A 1 12.218 6.031 -2.114 1.00 0.00 H new ATOM 0 H3 MET A 1 12.036 4.534 -1.335 1.00 0.00 H new ATOM 0 HA MET A 1 9.989 5.501 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.073 3.564 -0.878 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.554 4.229 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.983 3.218 -3.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.466 2.515 -3.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.806 -0.569 -3.321 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.639 0.558 -4.417 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.580 -0.442 -3.284 1.00 0.00 H new ATOM 19 N ASP A 2 9.948 6.421 0.055 1.00 0.00 N ATOM 20 CA ASP A 2 9.691 7.566 0.928 1.00 0.00 C ATOM 21 C ASP A 2 10.307 9.010 0.634 1.00 0.00 C ATOM 22 O ASP A 2 9.517 9.955 0.757 1.00 0.00 O ATOM 23 CB ASP A 2 9.872 7.035 2.369 1.00 0.00 C ATOM 24 CG ASP A 2 9.352 7.881 3.496 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.753 9.078 3.623 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.651 7.285 4.371 1.00 0.00 O ATOM 0 H ASP A 2 10.205 5.566 0.548 1.00 0.00 H new ATOM 0 HA ASP A 2 8.678 7.898 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.388 6.060 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.937 6.873 2.535 1.00 0.00 H new ATOM 31 N PRO A 3 11.576 9.273 0.254 1.00 0.00 N ATOM 32 CA PRO A 3 12.109 10.660 0.202 1.00 0.00 C ATOM 33 C PRO A 3 11.916 11.589 -1.014 1.00 0.00 C ATOM 34 O PRO A 3 12.570 12.641 -1.099 1.00 0.00 O ATOM 35 CB PRO A 3 13.598 10.418 0.532 1.00 0.00 C ATOM 36 CG PRO A 3 13.958 9.038 -0.083 1.00 0.00 C ATOM 37 CD PRO A 3 12.666 8.254 0.143 1.00 0.00 C ATOM 0 HA PRO A 3 11.508 11.269 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.223 11.206 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.763 10.419 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.211 9.114 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.810 8.577 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.476 7.569 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.729 7.651 1.049 1.00 0.00 H new ATOM 45 N VAL A 4 10.962 11.359 -1.918 1.00 0.00 N ATOM 46 CA VAL A 4 10.545 12.355 -2.983 1.00 0.00 C ATOM 47 C VAL A 4 9.468 13.332 -2.386 1.00 0.00 C ATOM 48 O VAL A 4 9.813 14.207 -1.581 1.00 0.00 O ATOM 49 CB VAL A 4 10.220 11.651 -4.347 1.00 0.00 C ATOM 50 CG1 VAL A 4 9.882 12.658 -5.505 1.00 0.00 C ATOM 51 CG2 VAL A 4 11.360 10.774 -4.923 1.00 0.00 C ATOM 0 H VAL A 4 10.439 10.484 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 4 11.373 13.004 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 4 9.365 11.036 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.668 12.103 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.011 13.252 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.733 13.318 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.038 10.332 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.242 11.391 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.603 9.982 -4.215 1.00 0.00 H new ATOM 61 N ASP A 5 8.161 13.091 -2.597 1.00 0.00 N ATOM 62 CA ASP A 5 7.066 13.859 -1.944 1.00 0.00 C ATOM 63 C ASP A 5 5.931 12.967 -1.254 1.00 0.00 C ATOM 64 O ASP A 5 5.713 13.227 -0.069 1.00 0.00 O ATOM 65 CB ASP A 5 6.703 15.175 -2.734 1.00 0.00 C ATOM 66 CG ASP A 5 5.894 15.173 -4.057 1.00 0.00 C ATOM 67 OD1 ASP A 5 5.631 14.142 -4.694 1.00 0.00 O ATOM 68 OD2 ASP A 5 5.484 16.277 -4.432 1.00 0.00 O ATOM 0 H ASP A 5 7.826 12.359 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 5 7.438 14.295 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.156 15.812 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.647 15.676 -2.950 1.00 0.00 H new ATOM 73 N PRO A 6 5.193 11.903 -1.760 1.00 0.00 N ATOM 74 CA PRO A 6 5.068 11.511 -3.174 1.00 0.00 C ATOM 75 C PRO A 6 3.606 11.768 -3.800 1.00 0.00 C ATOM 76 O PRO A 6 2.599 11.601 -3.102 1.00 0.00 O ATOM 77 CB PRO A 6 5.356 9.986 -3.135 1.00 0.00 C ATOM 78 CG PRO A 6 4.759 9.516 -1.782 1.00 0.00 C ATOM 79 CD PRO A 6 4.675 10.799 -0.878 1.00 0.00 C ATOM 0 HA PRO A 6 5.739 12.097 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.890 9.472 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.425 9.782 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.773 9.073 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.388 8.754 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.652 10.993 -0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.279 10.692 0.023 1.00 0.00 H new ATOM 87 N ASN A 7 3.493 12.109 -5.103 1.00 0.00 N ATOM 88 CA ASN A 7 2.180 12.358 -5.751 1.00 0.00 C ATOM 89 C ASN A 7 1.595 11.118 -6.440 1.00 0.00 C ATOM 90 O ASN A 7 0.558 10.618 -6.025 1.00 0.00 O ATOM 91 CB ASN A 7 2.218 13.586 -6.669 1.00 0.00 C ATOM 92 CG ASN A 7 2.424 14.934 -5.934 1.00 0.00 C ATOM 93 OD1 ASN A 7 1.656 15.313 -5.057 1.00 0.00 O ATOM 94 ND2 ASN A 7 3.403 15.644 -6.383 1.00 0.00 N ATOM 0 H ASN A 7 4.292 12.219 -5.728 1.00 0.00 H new ATOM 0 HA ASN A 7 1.484 12.589 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.021 13.456 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.285 13.632 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.572 16.577 -6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.009 15.273 -7.115 1.00 0.00 H new ATOM 101 N LEU A 8 2.248 10.578 -7.488 1.00 0.00 N ATOM 102 CA LEU A 8 1.750 9.431 -8.285 1.00 0.00 C ATOM 103 C LEU A 8 2.961 8.506 -8.650 1.00 0.00 C ATOM 104 O LEU A 8 3.631 8.680 -9.682 1.00 0.00 O ATOM 105 CB LEU A 8 1.002 9.976 -9.550 1.00 0.00 C ATOM 106 CG LEU A 8 -0.485 10.458 -9.356 1.00 0.00 C ATOM 107 CD1 LEU A 8 -0.952 11.240 -10.571 1.00 0.00 C ATOM 108 CD2 LEU A 8 -1.424 9.267 -9.042 1.00 0.00 C ATOM 0 H LEU A 8 3.149 10.929 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 8 1.037 8.832 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.578 10.811 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.007 9.193 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.521 11.127 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.981 11.566 -10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.312 12.112 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.898 10.605 -11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.443 9.631 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.395 8.554 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.096 8.777 -8.126 1.00 0.00 H new ATOM 120 N GLU A 9 3.263 7.591 -7.729 1.00 0.00 N ATOM 121 CA GLU A 9 4.607 6.897 -7.732 1.00 0.00 C ATOM 122 C GLU A 9 4.617 5.438 -8.298 1.00 0.00 C ATOM 123 O GLU A 9 3.617 4.735 -8.006 1.00 0.00 O ATOM 124 CB GLU A 9 5.046 6.935 -6.226 1.00 0.00 C ATOM 125 CG GLU A 9 6.590 6.892 -6.041 1.00 0.00 C ATOM 126 CD GLU A 9 7.187 6.680 -4.689 1.00 0.00 C ATOM 127 OE1 GLU A 9 6.725 7.274 -3.690 1.00 0.00 O ATOM 128 OE2 GLU A 9 8.005 5.768 -4.563 1.00 0.00 O ATOM 0 H GLU A 9 2.634 7.300 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 9 5.290 7.406 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.655 7.841 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.599 6.090 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.969 6.101 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.986 7.833 -6.423 1.00 0.00 H new ATOM 135 N PRO A 10 5.678 4.894 -8.993 1.00 0.00 N ATOM 136 CA PRO A 10 5.700 3.457 -9.387 1.00 0.00 C ATOM 137 C PRO A 10 5.296 2.269 -8.417 1.00 0.00 C ATOM 138 O PRO A 10 4.525 1.348 -8.759 1.00 0.00 O ATOM 139 CB PRO A 10 7.072 3.286 -10.071 1.00 0.00 C ATOM 140 CG PRO A 10 7.378 4.701 -10.599 1.00 0.00 C ATOM 141 CD PRO A 10 6.783 5.657 -9.568 1.00 0.00 C ATOM 0 HA PRO A 10 4.815 3.308 -10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.833 2.944 -9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.032 2.555 -10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.452 4.857 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.934 4.858 -11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.515 5.936 -8.810 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.435 6.581 -10.031 1.00 0.00 H new ATOM 149 N TRP A 11 5.772 2.303 -7.153 1.00 0.00 N ATOM 150 CA TRP A 11 5.012 1.733 -6.008 1.00 0.00 C ATOM 151 C TRP A 11 5.254 2.552 -4.675 1.00 0.00 C ATOM 152 O TRP A 11 6.355 2.472 -4.100 1.00 0.00 O ATOM 153 CB TRP A 11 5.310 0.228 -5.762 1.00 0.00 C ATOM 154 CG TRP A 11 4.308 -0.484 -4.847 1.00 0.00 C ATOM 155 CD1 TRP A 11 3.144 -1.158 -5.269 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.251 -0.457 -3.470 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.353 -1.562 -4.176 1.00 0.00 N ATOM 158 CE2 TRP A 11 3.061 -1.115 -3.071 1.00 0.00 C ATOM 159 CE3 TRP A 11 5.121 0.110 -2.503 1.00 0.00 C ATOM 160 CZ2 TRP A 11 2.738 -1.221 -1.701 1.00 0.00 C ATOM 161 CZ3 TRP A 11 4.784 -0.013 -1.155 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.611 -0.671 -0.759 1.00 0.00 C ATOM 0 H TRP A 11 6.670 2.714 -6.896 1.00 0.00 H new ATOM 0 HA TRP A 11 3.963 1.817 -6.291 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.331 -0.286 -6.723 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.306 0.135 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.890 -1.342 -6.303 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.466 -2.066 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.022 0.624 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.832 -1.718 -1.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.437 0.406 -0.404 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.378 -0.754 0.292 1.00 0.00 H new ATOM 173 N ASN A 12 4.212 3.168 -4.053 1.00 0.00 N ATOM 174 CA ASN A 12 4.236 3.630 -2.643 1.00 0.00 C ATOM 175 C ASN A 12 2.784 3.915 -2.140 1.00 0.00 C ATOM 176 O ASN A 12 2.251 4.989 -2.437 1.00 0.00 O ATOM 177 CB ASN A 12 5.156 4.883 -2.517 1.00 0.00 C ATOM 178 CG ASN A 12 5.675 5.250 -1.093 1.00 0.00 C ATOM 179 OD1 ASN A 12 5.489 4.570 -0.083 1.00 0.00 O ATOM 180 ND2 ASN A 12 6.515 6.231 -1.034 1.00 0.00 N ATOM 0 H ASN A 12 3.327 3.358 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 12 4.649 2.847 -2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.021 4.732 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.611 5.742 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.008 6.429 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.685 6.807 -1.858 1.00 0.00 H new ATOM 187 N HIS A 13 2.080 2.985 -1.475 1.00 0.00 N ATOM 188 CA HIS A 13 0.723 3.159 -0.907 1.00 0.00 C ATOM 189 C HIS A 13 0.860 3.310 0.685 1.00 0.00 C ATOM 190 O HIS A 13 1.032 2.301 1.372 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 2.452 2.050 -1.309 1.00 0.00 H new ATOM 0 HA HIS A 13 0.249 4.063 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.175 1.859 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.178 1.030 -0.930 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.379 0.034 -0.678 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 205 N PRO A 14 0.699 4.482 1.353 1.00 0.00 N ATOM 206 CA PRO A 14 0.649 4.610 2.869 1.00 0.00 C ATOM 207 C PRO A 14 -0.455 3.837 3.683 1.00 0.00 C ATOM 208 O PRO A 14 -0.151 3.129 4.656 1.00 0.00 O ATOM 209 CB PRO A 14 0.509 6.151 3.002 1.00 0.00 C ATOM 210 CG PRO A 14 1.117 6.785 1.751 1.00 0.00 C ATOM 211 CD PRO A 14 0.645 5.777 0.681 1.00 0.00 C ATOM 0 HA PRO A 14 1.519 4.132 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.539 6.432 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.021 6.505 3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.741 7.792 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.203 6.856 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.364 6.005 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.292 5.797 -0.196 1.00 0.00 H new ATOM 219 N GLY A 15 -1.735 3.953 3.239 1.00 0.00 N ATOM 220 CA GLY A 15 -2.890 3.539 4.090 1.00 0.00 C ATOM 221 C GLY A 15 -4.093 3.029 3.299 1.00 0.00 C ATOM 222 O GLY A 15 -3.955 2.083 2.525 1.00 0.00 O ATOM 0 H GLY A 15 -1.992 4.319 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.561 2.758 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.202 4.387 4.699 1.00 0.00 H new ATOM 226 N SER A 16 -5.245 3.597 3.615 1.00 0.00 N ATOM 227 CA SER A 16 -6.448 3.470 2.729 1.00 0.00 C ATOM 228 C SER A 16 -7.602 4.480 3.041 1.00 0.00 C ATOM 229 O SER A 16 -7.467 5.667 2.686 1.00 0.00 O ATOM 230 CB SER A 16 -6.942 2.052 2.264 1.00 0.00 C ATOM 231 OG SER A 16 -7.634 1.337 3.296 1.00 0.00 O ATOM 0 H SER A 16 -5.398 4.148 4.460 1.00 0.00 H new ATOM 0 HA SER A 16 -5.979 3.793 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.601 2.166 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.085 1.465 1.933 1.00 0.00 H new ATOM 0 HG SER A 16 -7.268 1.588 4.170 1.00 0.00 H new ATOM 237 N GLN A 17 -8.692 4.035 3.712 1.00 0.00 N ATOM 238 CA GLN A 17 -9.968 4.764 3.620 1.00 0.00 C ATOM 239 C GLN A 17 -10.417 5.577 4.906 1.00 0.00 C ATOM 240 O GLN A 17 -9.995 5.192 5.987 1.00 0.00 O ATOM 241 CB GLN A 17 -11.050 3.670 3.369 1.00 0.00 C ATOM 242 CG GLN A 17 -10.933 2.949 1.999 1.00 0.00 C ATOM 243 CD GLN A 17 -11.015 3.746 0.701 1.00 0.00 C ATOM 244 OE1 GLN A 17 -12.062 4.289 0.361 1.00 0.00 O ATOM 245 NE2 GLN A 17 -9.986 3.832 -0.096 1.00 0.00 N ATOM 0 H GLN A 17 -8.711 3.203 4.302 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.847 5.515 2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.987 2.926 4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.036 4.129 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.980 2.420 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.718 2.193 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.103 3.390 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.064 4.341 -0.976 1.00 0.00 H new ATOM 254 N PRO A 18 -11.252 6.644 4.835 1.00 0.00 N ATOM 255 CA PRO A 18 -11.922 7.138 3.588 1.00 0.00 C ATOM 256 C PRO A 18 -11.133 8.174 2.723 1.00 0.00 C ATOM 257 O PRO A 18 -10.844 9.260 3.195 1.00 0.00 O ATOM 258 CB PRO A 18 -13.120 7.795 4.264 1.00 0.00 C ATOM 259 CG PRO A 18 -12.687 8.410 5.623 1.00 0.00 C ATOM 260 CD PRO A 18 -11.648 7.386 6.063 1.00 0.00 C ATOM 0 HA PRO A 18 -12.092 6.355 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.533 8.570 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.908 7.059 4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.265 9.409 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.516 8.490 6.326 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.786 7.876 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.061 6.709 6.811 1.00 0.00 H new ATOM 268 N ARG A 19 -10.782 7.814 1.471 1.00 0.00 N ATOM 269 CA ARG A 19 -9.978 8.642 0.522 1.00 0.00 C ATOM 270 C ARG A 19 -8.832 9.597 1.093 1.00 0.00 C ATOM 271 O ARG A 19 -8.769 10.783 0.820 1.00 0.00 O ATOM 272 CB ARG A 19 -10.921 9.274 -0.606 1.00 0.00 C ATOM 273 CG ARG A 19 -10.987 8.292 -1.847 1.00 0.00 C ATOM 274 CD ARG A 19 -11.994 8.764 -2.869 1.00 0.00 C ATOM 275 NE ARG A 19 -11.821 8.115 -4.195 1.00 0.00 N ATOM 276 CZ ARG A 19 -12.645 8.248 -5.230 1.00 0.00 C ATOM 277 NH1 ARG A 19 -13.774 8.865 -5.168 1.00 0.00 N ATOM 278 NH2 ARG A 19 -12.324 7.734 -6.378 1.00 0.00 N ATOM 0 H ARG A 19 -11.053 6.915 1.072 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.307 7.924 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.921 9.442 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.535 10.245 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.003 8.221 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.253 7.291 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.000 8.563 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.907 9.844 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.003 7.519 -4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -14.078 9.285 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.364 8.934 -5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.443 7.231 -6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.953 7.833 -7.175 1.00 0.00 H new ATOM 292 N THR A 20 -7.970 9.067 2.011 1.00 0.00 N ATOM 293 CA THR A 20 -7.284 9.948 3.032 1.00 0.00 C ATOM 294 C THR A 20 -5.943 10.611 2.542 1.00 0.00 C ATOM 295 O THR A 20 -5.907 11.831 2.620 1.00 0.00 O ATOM 296 CB THR A 20 -7.287 9.170 4.375 1.00 0.00 C ATOM 297 OG1 THR A 20 -8.590 8.867 4.837 1.00 0.00 O ATOM 298 CG2 THR A 20 -6.608 9.943 5.531 1.00 0.00 C ATOM 0 H THR A 20 -7.734 8.077 2.074 1.00 0.00 H new ATOM 0 HA THR A 20 -7.837 10.872 3.201 1.00 0.00 H new ATOM 0 HB THR A 20 -6.733 8.262 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.248 9.142 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.644 9.343 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.569 10.146 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.132 10.885 5.696 1.00 0.00 H new ATOM 306 N PRO A 21 -4.815 9.970 2.109 1.00 0.00 N ATOM 307 CA PRO A 21 -4.640 8.495 2.173 1.00 0.00 C ATOM 308 C PRO A 21 -4.072 7.838 3.468 1.00 0.00 C ATOM 309 O PRO A 21 -4.400 6.684 3.755 1.00 0.00 O ATOM 310 CB PRO A 21 -3.714 8.282 0.937 1.00 0.00 C ATOM 311 CG PRO A 21 -2.900 9.551 0.723 1.00 0.00 C ATOM 312 CD PRO A 21 -3.931 10.611 1.083 1.00 0.00 C ATOM 0 HA PRO A 21 -5.608 7.995 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.053 7.430 1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.309 8.059 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.021 9.593 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.548 9.648 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.453 11.506 1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.503 10.917 0.207 1.00 0.00 H new ATOM 320 N CYS A 22 -3.189 8.487 4.233 1.00 0.00 N ATOM 321 CA CYS A 22 -2.293 7.776 5.178 1.00 0.00 C ATOM 322 C CYS A 22 -2.913 6.944 6.385 1.00 0.00 C ATOM 323 O CYS A 22 -2.523 5.814 6.593 1.00 0.00 O ATOM 324 CB CYS A 22 -1.203 8.746 5.647 1.00 0.00 C ATOM 325 SG CYS A 22 0.223 7.981 6.470 1.00 0.00 S ATOM 0 H CYS A 22 -3.068 9.500 4.224 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.899 6.953 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.844 9.307 4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.652 9.466 6.331 1.00 0.00 H new ATOM 0 HG CYS A 22 1.071 8.904 6.816 1.00 0.00 H new ATOM 331 N ASN A 23 -3.763 7.508 7.289 1.00 0.00 N ATOM 332 CA ASN A 23 -4.180 6.912 8.606 1.00 0.00 C ATOM 333 C ASN A 23 -2.976 6.705 9.638 1.00 0.00 C ATOM 334 O ASN A 23 -1.783 6.714 9.283 1.00 0.00 O ATOM 335 CB ASN A 23 -5.054 5.621 8.371 1.00 0.00 C ATOM 336 CG ASN A 23 -6.358 5.626 7.520 1.00 0.00 C ATOM 337 OD1 ASN A 23 -7.499 5.503 8.024 1.00 0.00 O ATOM 338 ND2 ASN A 23 -6.259 5.830 6.246 1.00 0.00 N ATOM 0 H ASN A 23 -4.194 8.418 7.123 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.811 7.645 9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.395 4.878 7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.329 5.249 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.100 5.888 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.340 5.933 5.816 1.00 0.00 H new ATOM 345 N LYS A 24 -3.311 6.391 10.906 1.00 0.00 N ATOM 346 CA LYS A 24 -2.292 5.892 11.891 1.00 0.00 C ATOM 347 C LYS A 24 -1.999 4.339 11.930 1.00 0.00 C ATOM 348 O LYS A 24 -1.634 3.767 12.946 1.00 0.00 O ATOM 349 CB LYS A 24 -2.790 6.506 13.245 1.00 0.00 C ATOM 350 CG LYS A 24 -1.875 6.424 14.486 1.00 0.00 C ATOM 351 CD LYS A 24 -2.571 7.050 15.733 1.00 0.00 C ATOM 352 CE LYS A 24 -1.600 7.147 16.956 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.298 7.715 18.146 1.00 0.00 N ATOM 0 H LYS A 24 -4.257 6.467 11.280 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.290 6.212 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.010 7.559 13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.733 6.022 13.499 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.624 5.383 14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.939 6.945 14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.939 8.045 15.482 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.438 6.448 16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.211 6.158 17.196 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.745 7.772 16.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.634 7.770 18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.648 8.668 17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.099 7.104 18.403 1.00 0.00 H new ATOM 367 N CYS A 25 -2.049 3.694 10.754 1.00 0.00 N ATOM 368 CA CYS A 25 -1.833 2.247 10.545 1.00 0.00 C ATOM 369 C CYS A 25 -1.906 1.966 9.002 1.00 0.00 C ATOM 370 O CYS A 25 -2.635 2.619 8.266 1.00 0.00 O ATOM 371 CB CYS A 25 -2.894 1.375 11.288 1.00 0.00 C ATOM 372 SG CYS A 25 -2.729 -0.380 10.847 1.00 0.00 S ATOM 0 H CYS A 25 -2.250 4.185 9.883 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.859 1.977 10.953 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.777 1.494 12.365 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.896 1.723 11.036 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.957 -0.531 9.576 1.00 0.00 H new ATOM 378 N TYR A 26 -1.183 0.942 8.497 1.00 0.00 N ATOM 379 CA TYR A 26 -1.261 0.518 7.052 1.00 0.00 C ATOM 380 C TYR A 26 -2.686 -0.088 6.637 1.00 0.00 C ATOM 381 O TYR A 26 -3.209 -0.885 7.406 1.00 0.00 O ATOM 382 CB TYR A 26 -0.167 -0.518 6.662 1.00 0.00 C ATOM 383 CG TYR A 26 1.258 0.019 6.488 1.00 0.00 C ATOM 384 CD1 TYR A 26 1.690 0.510 5.252 1.00 0.00 C ATOM 385 CD2 TYR A 26 2.140 0.013 7.574 1.00 0.00 C ATOM 386 CE1 TYR A 26 2.988 0.995 5.108 1.00 0.00 C ATOM 387 CE2 TYR A 26 3.436 0.498 7.426 1.00 0.00 C ATOM 388 CZ TYR A 26 3.859 0.988 6.193 1.00 0.00 C ATOM 389 OH TYR A 26 5.130 1.467 6.048 1.00 0.00 O ATOM 0 H TYR A 26 -0.536 0.385 9.055 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.098 1.447 6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.147 -1.296 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.467 -0.995 5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.016 0.513 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.814 -0.369 8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.318 1.377 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.113 0.494 8.267 1.00 0.00 H new ATOM 0 HH TYR A 26 5.107 2.308 5.545 1.00 0.00 H new ATOM 399 N CYS A 27 -3.152 0.263 5.420 1.00 0.00 N ATOM 400 CA CYS A 27 -4.449 -0.203 4.888 1.00 0.00 C ATOM 401 C CYS A 27 -5.728 0.211 5.686 1.00 0.00 C ATOM 402 O CYS A 27 -6.194 1.332 5.553 1.00 0.00 O ATOM 403 CB CYS A 27 -4.352 -1.630 4.256 1.00 0.00 C ATOM 404 SG CYS A 27 -5.597 -1.788 2.913 1.00 0.00 S ATOM 0 H CYS A 27 -2.643 0.874 4.782 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.676 0.416 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.350 -1.797 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.524 -2.390 5.018 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.517 -2.973 2.384 1.00 0.00 H new ATOM 410 N LYS A 28 -6.274 -0.675 6.498 1.00 0.00 N ATOM 411 CA LYS A 28 -7.354 -0.348 7.470 1.00 0.00 C ATOM 412 C LYS A 28 -8.778 -0.079 6.801 1.00 0.00 C ATOM 413 O LYS A 28 -9.087 0.991 6.259 1.00 0.00 O ATOM 414 CB LYS A 28 -6.900 0.670 8.552 1.00 0.00 C ATOM 415 CG LYS A 28 -7.686 0.793 9.877 1.00 0.00 C ATOM 416 CD LYS A 28 -9.072 1.437 9.892 1.00 0.00 C ATOM 417 CE LYS A 28 -9.153 2.951 9.596 1.00 0.00 C ATOM 418 NZ LYS A 28 -9.415 3.251 8.132 1.00 0.00 N ATOM 0 H LYS A 28 -5.993 -1.655 6.518 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.543 -1.260 8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.868 0.431 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.893 1.656 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.792 -0.213 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.061 1.354 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.693 0.917 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.515 1.261 10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.946 3.393 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.220 3.426 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.793 4.024 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.224 2.401 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.408 3.534 8.008 1.00 0.00 H new ATOM 432 N LYS A 29 -9.695 -1.075 6.912 1.00 0.00 N ATOM 433 CA LYS A 29 -11.059 -1.060 6.283 1.00 0.00 C ATOM 434 C LYS A 29 -12.040 -0.034 6.976 1.00 0.00 C ATOM 435 O LYS A 29 -11.953 0.188 8.190 1.00 0.00 O ATOM 436 CB LYS A 29 -11.604 -2.541 6.339 1.00 0.00 C ATOM 437 CG LYS A 29 -12.904 -2.969 5.595 1.00 0.00 C ATOM 438 CD LYS A 29 -14.167 -2.952 6.462 1.00 0.00 C ATOM 439 CE LYS A 29 -15.447 -3.308 5.672 1.00 0.00 C ATOM 440 NZ LYS A 29 -16.634 -2.808 6.438 1.00 0.00 N ATOM 0 H LYS A 29 -9.514 -1.925 7.446 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.992 -0.715 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.805 -3.185 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.750 -2.783 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.055 -2.306 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.765 -3.974 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.046 -3.657 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.283 -1.963 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.418 -2.856 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.516 -4.386 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.506 -3.070 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.639 -3.234 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.581 -1.773 6.523 1.00 0.00 H new ATOM 454 N CYS A 30 -12.940 0.545 6.196 1.00 0.00 N ATOM 455 CA CYS A 30 -14.135 1.297 6.723 1.00 0.00 C ATOM 456 C CYS A 30 -15.456 0.852 5.985 1.00 0.00 C ATOM 457 O CYS A 30 -16.279 0.183 6.602 1.00 0.00 O ATOM 458 CB CYS A 30 -13.773 2.802 6.798 1.00 0.00 C ATOM 459 SG CYS A 30 -15.227 3.702 7.407 1.00 0.00 S ATOM 0 H CYS A 30 -12.889 0.523 5.178 1.00 0.00 H new ATOM 0 HA CYS A 30 -14.388 1.043 7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.924 2.956 7.463 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.480 3.172 5.816 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.952 4.970 7.483 1.00 0.00 H new ATOM 465 N CYS A 31 -15.857 1.119 4.713 1.00 0.00 N ATOM 466 CA CYS A 31 -14.998 1.710 3.648 1.00 0.00 C ATOM 467 C CYS A 31 -14.365 0.592 2.750 1.00 0.00 C ATOM 468 O CYS A 31 -13.891 -0.401 3.287 1.00 0.00 O ATOM 469 CB CYS A 31 -15.868 2.827 3.038 1.00 0.00 C ATOM 470 SG CYS A 31 -17.382 2.250 2.212 1.00 0.00 S ATOM 0 H CYS A 31 -16.806 0.926 4.392 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.074 2.193 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.146 3.524 3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.268 3.383 2.318 1.00 0.00 H new ATOM 0 HG CYS A 31 -18.035 3.270 1.740 1.00 0.00 H new ATOM 476 N TYR A 32 -14.236 0.762 1.431 1.00 0.00 N ATOM 477 CA TYR A 32 -13.800 -0.297 0.472 1.00 0.00 C ATOM 478 C TYR A 32 -12.333 -0.843 0.626 1.00 0.00 C ATOM 479 O TYR A 32 -11.379 -0.093 0.658 1.00 0.00 O ATOM 480 CB TYR A 32 -13.997 0.140 -1.009 1.00 0.00 C ATOM 481 CG TYR A 32 -13.431 -0.795 -2.084 1.00 0.00 C ATOM 482 CD1 TYR A 32 -14.102 -1.983 -2.394 1.00 0.00 C ATOM 483 CD2 TYR A 32 -12.238 -0.485 -2.744 1.00 0.00 C ATOM 484 CE1 TYR A 32 -13.583 -2.853 -3.348 1.00 0.00 C ATOM 485 CE2 TYR A 32 -11.720 -1.358 -3.698 1.00 0.00 C ATOM 486 CZ TYR A 32 -12.392 -2.539 -3.999 1.00 0.00 C ATOM 487 OH TYR A 32 -11.879 -3.394 -4.933 1.00 0.00 O ATOM 0 H TYR A 32 -14.432 1.653 0.975 1.00 0.00 H new ATOM 0 HA TYR A 32 -14.460 -1.121 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -15.065 0.259 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -13.541 1.122 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -15.026 -2.226 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.717 0.433 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -14.103 -3.770 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.797 -1.118 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.675 -2.898 -5.753 1.00 0.00 H new ATOM 497 N HIS A 33 -12.160 -2.139 0.511 1.00 0.00 N ATOM 498 CA HIS A 33 -11.000 -2.804 -0.125 1.00 0.00 C ATOM 499 C HIS A 33 -11.388 -4.296 -0.380 1.00 0.00 C ATOM 500 O HIS A 33 -11.659 -5.031 0.545 1.00 0.00 O ATOM 501 CB HIS A 33 -9.694 -2.721 0.684 1.00 0.00 C ATOM 502 CG HIS A 33 -8.536 -3.345 -0.038 1.00 0.00 C ATOM 503 ND1 HIS A 33 -8.289 -4.711 -0.154 1.00 0.00 N ATOM 504 CD2 HIS A 33 -7.908 -2.627 -1.046 1.00 0.00 C ATOM 505 CE1 HIS A 33 -7.515 -4.712 -1.256 1.00 0.00 C ATOM 506 NE2 HIS A 33 -7.237 -3.517 -1.845 1.00 0.00 N ATOM 0 H HIS A 33 -12.844 -2.806 0.868 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.786 -2.275 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.467 -1.676 0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.832 -3.219 1.644 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.604 -5.487 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.942 -1.556 -1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.126 -5.635 -1.661 1.00 0.00 H new ATOM 515 N CYS A 34 -11.268 -4.806 -1.610 1.00 0.00 N ATOM 516 CA CYS A 34 -11.472 -6.264 -1.915 1.00 0.00 C ATOM 517 C CYS A 34 -10.219 -7.189 -1.645 1.00 0.00 C ATOM 518 O CYS A 34 -9.210 -7.027 -2.322 1.00 0.00 O ATOM 519 CB CYS A 34 -11.980 -6.296 -3.345 1.00 0.00 C ATOM 520 SG CYS A 34 -12.620 -7.911 -3.715 1.00 0.00 S ATOM 0 H CYS A 34 -11.030 -4.244 -2.428 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.192 -6.705 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.758 -5.545 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.173 -6.047 -4.034 1.00 0.00 H new ATOM 0 HG CYS A 34 -13.056 -7.935 -4.939 1.00 0.00 H new ATOM 526 N GLN A 35 -10.251 -8.099 -0.623 1.00 0.00 N ATOM 527 CA GLN A 35 -9.089 -9.032 -0.394 1.00 0.00 C ATOM 528 C GLN A 35 -7.703 -8.471 0.010 1.00 0.00 C ATOM 529 O GLN A 35 -7.494 -8.267 1.206 1.00 0.00 O ATOM 530 CB GLN A 35 -9.075 -10.150 -1.488 1.00 0.00 C ATOM 531 CG GLN A 35 -8.254 -11.453 -1.186 1.00 0.00 C ATOM 532 CD GLN A 35 -8.928 -12.434 -0.244 1.00 0.00 C ATOM 533 OE1 GLN A 35 -8.968 -12.286 0.976 1.00 0.00 O ATOM 534 NE2 GLN A 35 -9.576 -13.456 -0.698 1.00 0.00 N ATOM 0 H GLN A 35 -11.027 -8.209 0.030 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.308 -9.471 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.107 -10.441 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.687 -9.714 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.048 -11.961 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.292 -11.167 -0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.591 -13.647 -1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.073 -14.072 -0.054 1.00 0.00 H new ATOM 543 N MET A 36 -6.741 -8.249 -0.871 1.00 0.00 N ATOM 544 CA MET A 36 -5.287 -8.300 -0.486 1.00 0.00 C ATOM 545 C MET A 36 -4.769 -7.100 0.421 1.00 0.00 C ATOM 546 O MET A 36 -4.648 -5.970 -0.049 1.00 0.00 O ATOM 547 CB MET A 36 -4.739 -9.723 -0.191 1.00 0.00 C ATOM 548 CG MET A 36 -4.683 -10.656 -1.424 1.00 0.00 C ATOM 549 SD MET A 36 -4.430 -12.321 -0.840 1.00 0.00 S ATOM 550 CE MET A 36 -4.688 -13.213 -2.345 1.00 0.00 C ATOM 0 H MET A 36 -6.909 -8.032 -1.853 1.00 0.00 H new ATOM 0 HA MET A 36 -4.760 -8.065 -1.411 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.736 -9.633 0.227 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.362 -10.188 0.573 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.609 -10.589 -1.996 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.874 -10.359 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.567 -14.280 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 36 -5.695 -13.020 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.961 -12.889 -3.089 1.00 0.00 H new ATOM 560 N CYS A 37 -4.534 -7.265 1.735 1.00 0.00 N ATOM 561 CA CYS A 37 -4.042 -6.148 2.609 1.00 0.00 C ATOM 562 C CYS A 37 -2.648 -5.518 2.278 1.00 0.00 C ATOM 563 O CYS A 37 -2.661 -4.367 1.812 1.00 0.00 O ATOM 564 CB CYS A 37 -4.150 -6.670 4.061 1.00 0.00 C ATOM 565 SG CYS A 37 -3.860 -5.303 5.275 1.00 0.00 S ATOM 0 H CYS A 37 -4.671 -8.148 2.226 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.673 -5.279 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.137 -7.104 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.422 -7.465 4.221 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.959 -5.769 6.485 1.00 0.00 H new ATOM 571 N PHE A 38 -1.492 -6.196 2.430 1.00 0.00 N ATOM 572 CA PHE A 38 -0.214 -5.811 1.720 1.00 0.00 C ATOM 573 C PHE A 38 0.648 -7.062 1.529 1.00 0.00 C ATOM 574 O PHE A 38 1.100 -7.642 2.502 1.00 0.00 O ATOM 575 CB PHE A 38 0.644 -4.710 2.414 1.00 0.00 C ATOM 576 CG PHE A 38 0.247 -3.253 2.129 1.00 0.00 C ATOM 577 CD1 PHE A 38 0.042 -2.815 0.818 1.00 0.00 C ATOM 578 CD2 PHE A 38 -0.035 -2.391 3.195 1.00 0.00 C ATOM 579 CE1 PHE A 38 -0.447 -1.534 0.577 1.00 0.00 C ATOM 580 CE2 PHE A 38 -0.533 -1.116 2.954 1.00 0.00 C ATOM 581 CZ PHE A 38 -0.737 -0.686 1.645 1.00 0.00 C ATOM 0 H PHE A 38 -1.398 -7.014 3.032 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.535 -5.374 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.600 -4.871 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.683 -4.846 2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.263 -3.472 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.135 -2.718 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.602 -1.197 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.761 -0.460 3.781 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.120 0.306 1.457 1.00 0.00 H new ATOM 591 N ILE A 39 0.888 -7.456 0.287 1.00 0.00 N ATOM 592 CA ILE A 39 1.722 -8.632 -0.081 1.00 0.00 C ATOM 593 C ILE A 39 3.029 -8.075 -0.757 1.00 0.00 C ATOM 594 O ILE A 39 3.019 -7.293 -1.717 1.00 0.00 O ATOM 595 CB ILE A 39 0.891 -9.691 -0.894 1.00 0.00 C ATOM 596 CG1 ILE A 39 -0.218 -9.204 -1.899 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.167 -10.730 -0.008 1.00 0.00 C ATOM 598 CD1 ILE A 39 0.306 -8.298 -3.066 1.00 0.00 C ATOM 0 H ILE A 39 0.508 -6.968 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 39 2.041 -9.214 0.783 1.00 0.00 H new ATOM 0 HB ILE A 39 1.721 -10.091 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.709 -10.078 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.977 -8.653 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.384 -11.426 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.901 -11.279 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.526 -10.219 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.528 -8.011 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.770 -7.403 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.041 -8.849 -3.652 1.00 0.00 H new ATOM 610 N THR A 40 4.203 -8.462 -0.237 1.00 0.00 N ATOM 611 CA THR A 40 5.436 -7.628 -0.367 1.00 0.00 C ATOM 612 C THR A 40 6.373 -7.935 -1.593 1.00 0.00 C ATOM 613 O THR A 40 7.356 -8.680 -1.473 1.00 0.00 O ATOM 614 CB THR A 40 6.263 -7.626 0.960 1.00 0.00 C ATOM 615 OG1 THR A 40 6.870 -8.903 1.172 1.00 0.00 O ATOM 616 CG2 THR A 40 5.566 -7.237 2.262 1.00 0.00 C ATOM 0 H THR A 40 4.338 -9.334 0.274 1.00 0.00 H new ATOM 0 HA THR A 40 5.040 -6.634 -0.574 1.00 0.00 H new ATOM 0 HB THR A 40 6.970 -6.819 0.768 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.218 -9.245 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.279 -7.287 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.179 -6.221 2.178 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.742 -7.925 2.453 1.00 0.00 H new ATOM 624 N LYS A 41 6.025 -7.319 -2.757 1.00 0.00 N ATOM 625 CA LYS A 41 6.701 -7.551 -4.068 1.00 0.00 C ATOM 626 C LYS A 41 7.410 -6.232 -4.559 1.00 0.00 C ATOM 627 O LYS A 41 6.798 -5.279 -5.069 1.00 0.00 O ATOM 628 CB LYS A 41 5.718 -8.246 -5.088 1.00 0.00 C ATOM 629 CG LYS A 41 4.211 -7.934 -5.110 1.00 0.00 C ATOM 630 CD LYS A 41 3.813 -6.472 -5.450 1.00 0.00 C ATOM 631 CE LYS A 41 2.373 -6.144 -4.959 1.00 0.00 C ATOM 632 NZ LYS A 41 1.913 -4.856 -5.524 1.00 0.00 N ATOM 0 H LYS A 41 5.263 -6.643 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 41 7.515 -8.269 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.098 -8.031 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.814 -9.321 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.736 -8.595 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.796 -8.182 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.521 -5.784 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.875 -6.318 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.691 -6.942 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.356 -6.097 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.916 -4.702 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.492 -4.082 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.007 -4.878 -6.560 1.00 0.00 H new ATOM 646 N GLY A 42 8.722 -6.170 -4.384 1.00 0.00 N ATOM 647 CA GLY A 42 9.507 -4.903 -4.509 1.00 0.00 C ATOM 648 C GLY A 42 9.874 -4.197 -3.175 1.00 0.00 C ATOM 649 O GLY A 42 9.191 -3.213 -2.839 1.00 0.00 O ATOM 0 H GLY A 42 9.292 -6.983 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.429 -5.122 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.938 -4.205 -5.122 1.00 0.00 H new ATOM 653 N LEU A 43 10.907 -4.680 -2.461 1.00 0.00 N ATOM 654 CA LEU A 43 11.258 -4.195 -1.101 1.00 0.00 C ATOM 655 C LEU A 43 12.106 -2.859 -1.080 1.00 0.00 C ATOM 656 O LEU A 43 13.304 -2.776 -0.710 1.00 0.00 O ATOM 657 CB LEU A 43 11.973 -5.385 -0.384 1.00 0.00 C ATOM 658 CG LEU A 43 11.279 -6.765 -0.269 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.190 -7.879 0.216 1.00 0.00 C ATOM 660 CD2 LEU A 43 10.004 -6.729 0.563 1.00 0.00 C ATOM 0 H LEU A 43 11.525 -5.416 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 43 10.352 -3.903 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.923 -5.544 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.206 -5.057 0.629 1.00 0.00 H new ATOM 0 HG LEU A 43 11.005 -7.000 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.628 -8.811 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.023 -7.996 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.574 -7.630 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.568 -7.727 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.238 -6.394 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.292 -6.040 0.108 1.00 0.00 H new ATOM 672 N GLY A 44 11.476 -1.735 -1.527 1.00 0.00 N ATOM 673 CA GLY A 44 12.151 -0.388 -1.688 1.00 0.00 C ATOM 674 C GLY A 44 12.502 0.341 -0.368 1.00 0.00 C ATOM 675 O GLY A 44 13.590 0.137 0.125 1.00 0.00 O ATOM 0 H GLY A 44 10.490 -1.724 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.067 -0.526 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.500 0.257 -2.278 1.00 0.00 H new ATOM 679 N ILE A 45 11.573 1.158 0.133 1.00 0.00 N ATOM 680 CA ILE A 45 11.608 1.667 1.559 1.00 0.00 C ATOM 681 C ILE A 45 10.286 1.290 2.328 1.00 0.00 C ATOM 682 O ILE A 45 10.297 0.373 3.139 1.00 0.00 O ATOM 683 CB ILE A 45 12.030 3.197 1.700 1.00 0.00 C ATOM 684 CG1 ILE A 45 13.500 3.417 1.241 1.00 0.00 C ATOM 685 CG2 ILE A 45 11.908 3.753 3.177 1.00 0.00 C ATOM 686 CD1 ILE A 45 13.938 4.844 0.983 1.00 0.00 C ATOM 0 H ILE A 45 10.776 1.497 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 45 12.423 1.142 2.057 1.00 0.00 H new ATOM 0 HB ILE A 45 11.331 3.739 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.158 2.994 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.658 2.845 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.211 4.800 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.875 3.668 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.554 3.175 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.982 4.853 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.320 5.278 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.828 5.429 1.896 1.00 0.00 H new ATOM 698 N SER A 46 9.128 1.883 1.949 1.00 0.00 N ATOM 699 CA SER A 46 7.768 1.515 2.481 1.00 0.00 C ATOM 700 C SER A 46 7.341 -0.026 2.587 1.00 0.00 C ATOM 701 O SER A 46 6.885 -0.450 3.663 1.00 0.00 O ATOM 702 CB SER A 46 6.718 2.438 1.822 1.00 0.00 C ATOM 703 OG SER A 46 6.642 2.232 0.415 1.00 0.00 O ATOM 0 H SER A 46 9.098 2.636 1.262 1.00 0.00 H new ATOM 0 HA SER A 46 7.832 1.696 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.741 2.255 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.971 3.479 2.024 1.00 0.00 H new ATOM 0 HG SER A 46 6.239 3.018 -0.009 1.00 0.00 H new ATOM 709 N TYR A 47 7.574 -0.856 1.526 1.00 0.00 N ATOM 710 CA TYR A 47 7.771 -2.334 1.614 1.00 0.00 C ATOM 711 C TYR A 47 9.182 -2.750 2.215 1.00 0.00 C ATOM 712 O TYR A 47 10.244 -2.515 1.626 1.00 0.00 O ATOM 713 CB TYR A 47 7.608 -3.042 0.238 1.00 0.00 C ATOM 714 CG TYR A 47 6.175 -3.347 -0.214 1.00 0.00 C ATOM 715 CD1 TYR A 47 5.180 -3.645 0.723 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.875 -3.400 -1.579 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.899 -3.985 0.296 1.00 0.00 C ATOM 718 CE2 TYR A 47 4.594 -3.741 -2.002 1.00 0.00 C ATOM 719 CZ TYR A 47 3.607 -4.033 -1.064 1.00 0.00 C ATOM 720 OH TYR A 47 2.348 -4.365 -1.478 1.00 0.00 O ATOM 0 H TYR A 47 7.631 -0.508 0.569 1.00 0.00 H new ATOM 0 HA TYR A 47 6.986 -2.663 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.080 -2.420 -0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.162 -3.980 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.406 -3.611 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.640 -3.175 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.131 -4.212 1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.365 -3.779 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 47 2.300 -5.331 -1.636 1.00 0.00 H new ATOM 730 N GLY A 48 9.169 -3.390 3.394 1.00 0.00 N ATOM 731 CA GLY A 48 10.371 -3.651 4.227 1.00 0.00 C ATOM 732 C GLY A 48 10.230 -4.681 5.407 1.00 0.00 C ATOM 733 O GLY A 48 9.483 -4.456 6.366 1.00 0.00 O ATOM 0 H GLY A 48 8.310 -3.751 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.166 -4.001 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.701 -2.701 4.648 1.00 0.00 H new ATOM 737 N ARG A 49 11.117 -5.697 5.429 1.00 0.00 N ATOM 738 CA ARG A 49 11.441 -6.477 6.660 1.00 0.00 C ATOM 739 C ARG A 49 12.265 -5.666 7.715 1.00 0.00 C ATOM 740 O ARG A 49 11.685 -5.366 8.771 1.00 0.00 O ATOM 741 CB ARG A 49 12.039 -7.864 6.233 1.00 0.00 C ATOM 742 CG ARG A 49 12.204 -8.859 7.421 1.00 0.00 C ATOM 743 CD ARG A 49 12.575 -10.262 6.930 1.00 0.00 C ATOM 744 NE ARG A 49 12.744 -11.215 8.076 1.00 0.00 N ATOM 745 CZ ARG A 49 13.067 -12.490 7.952 1.00 0.00 C ATOM 746 NH1 ARG A 49 13.525 -13.046 6.860 1.00 0.00 N ATOM 747 NH2 ARG A 49 12.889 -13.259 8.998 1.00 0.00 N ATOM 0 H ARG A 49 11.631 -6.005 4.603 1.00 0.00 H new ATOM 0 HA ARG A 49 10.528 -6.685 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.392 -8.314 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.010 -7.704 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.976 -8.494 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.276 -8.905 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.800 -10.631 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.499 -10.215 6.354 1.00 0.00 H new ATOM 0 HE ARG A 49 12.599 -10.853 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.657 -12.485 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.750 -14.041 6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.515 -12.866 9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.125 -14.250 8.948 1.00 0.00 H new ATOM 761 N LYS A 50 13.539 -5.258 7.456 1.00 0.00 N ATOM 762 CA LYS A 50 14.106 -4.141 8.250 1.00 0.00 C ATOM 763 C LYS A 50 14.144 -2.813 7.470 1.00 0.00 C ATOM 764 O LYS A 50 15.234 -2.268 7.259 1.00 0.00 O ATOM 765 CB LYS A 50 15.520 -4.601 8.785 1.00 0.00 C ATOM 766 CG LYS A 50 16.049 -3.865 10.035 1.00 0.00 C ATOM 767 CD LYS A 50 17.443 -4.391 10.435 1.00 0.00 C ATOM 768 CE LYS A 50 18.075 -3.627 11.618 1.00 0.00 C ATOM 769 NZ LYS A 50 19.342 -4.322 12.046 1.00 0.00 N ATOM 0 H LYS A 50 14.156 -5.658 6.749 1.00 0.00 H new ATOM 0 HA LYS A 50 13.458 -3.921 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.471 -5.666 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.247 -4.478 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.103 -2.795 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.353 -4.000 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.363 -5.446 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.108 -4.325 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.292 -2.599 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.374 -3.581 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.768 -3.807 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.122 -5.295 12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.012 -4.344 11.251 1.00 0.00 H new ATOM 783 N LYS A 51 12.998 -2.284 6.952 1.00 0.00 N ATOM 784 CA LYS A 51 12.938 -0.919 6.332 1.00 0.00 C ATOM 785 C LYS A 51 11.630 -0.237 6.846 1.00 0.00 C ATOM 786 O LYS A 51 11.526 0.122 8.011 1.00 0.00 O ATOM 787 CB LYS A 51 13.196 -1.068 4.798 1.00 0.00 C ATOM 788 CG LYS A 51 14.607 -1.426 4.208 1.00 0.00 C ATOM 789 CD LYS A 51 14.612 -1.380 2.675 1.00 0.00 C ATOM 790 CE LYS A 51 15.934 -1.759 1.959 1.00 0.00 C ATOM 791 NZ LYS A 51 15.725 -1.752 0.488 1.00 0.00 N ATOM 0 H LYS A 51 12.105 -2.777 6.950 1.00 0.00 H new ATOM 0 HA LYS A 51 13.718 -0.217 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.506 -1.831 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.897 -0.126 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.350 -0.729 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.899 -2.421 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.829 -2.047 2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.338 -0.371 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.720 -1.053 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.266 -2.745 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.646 -1.702 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.233 -2.623 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.150 -0.927 0.223 1.00 0.00 H new ATOM 805 N ARG A 52 10.590 -0.165 5.998 1.00 0.00 N ATOM 806 CA ARG A 52 9.203 0.162 6.395 1.00 0.00 C ATOM 807 C ARG A 52 8.942 1.578 7.005 1.00 0.00 C ATOM 808 O ARG A 52 9.000 1.729 8.224 1.00 0.00 O ATOM 809 CB ARG A 52 8.648 -1.002 7.259 1.00 0.00 C ATOM 810 CG ARG A 52 7.101 -0.943 7.503 1.00 0.00 C ATOM 811 CD ARG A 52 6.525 -2.333 7.895 1.00 0.00 C ATOM 812 NE ARG A 52 6.749 -2.625 9.346 1.00 0.00 N ATOM 813 CZ ARG A 52 7.727 -3.372 9.890 1.00 0.00 C ATOM 814 NH1 ARG A 52 8.561 -4.103 9.226 1.00 0.00 N ATOM 815 NH2 ARG A 52 7.865 -3.339 11.191 1.00 0.00 N ATOM 0 H ARG A 52 10.688 -0.335 4.997 1.00 0.00 H new ATOM 0 HA ARG A 52 8.638 0.251 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.892 -1.947 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.157 -0.998 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.885 -0.224 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.604 -0.585 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.457 -2.361 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.995 -3.108 7.289 1.00 0.00 H new ATOM 0 HE ARG A 52 6.083 -2.210 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.506 -4.143 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.274 -4.640 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.243 -2.761 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.595 -3.892 11.641 1.00 0.00 H new ATOM 829 N ARG A 53 8.598 2.624 6.218 1.00 0.00 N ATOM 830 CA ARG A 53 8.046 3.927 6.734 1.00 0.00 C ATOM 831 C ARG A 53 6.788 4.384 5.917 1.00 0.00 C ATOM 832 O ARG A 53 6.435 3.723 4.928 1.00 0.00 O ATOM 833 CB ARG A 53 9.265 4.926 6.756 1.00 0.00 C ATOM 834 CG ARG A 53 9.013 6.237 7.571 1.00 0.00 C ATOM 835 CD ARG A 53 10.295 7.030 7.885 1.00 0.00 C ATOM 836 NE ARG A 53 10.724 7.730 6.651 1.00 0.00 N ATOM 837 CZ ARG A 53 11.678 8.644 6.500 1.00 0.00 C ATOM 838 NH1 ARG A 53 12.614 8.854 7.378 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.693 9.332 5.424 1.00 0.00 N ATOM 0 H ARG A 53 8.691 2.601 5.202 1.00 0.00 H new ATOM 0 HA ARG A 53 7.644 3.855 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.131 4.414 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.518 5.194 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.330 6.876 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.516 5.982 8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.111 7.748 8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.080 6.359 8.234 1.00 0.00 H new ATOM 0 HE ARG A 53 10.219 7.476 5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.641 8.303 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.321 9.570 7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.985 9.173 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.413 10.040 5.281 1.00 0.00 H new ATOM 853 N GLN A 54 6.031 5.413 6.306 1.00 0.00 N ATOM 854 CA GLN A 54 4.701 5.799 5.768 1.00 0.00 C ATOM 855 C GLN A 54 4.607 7.369 5.576 1.00 0.00 C ATOM 856 O GLN A 54 4.786 8.078 6.582 1.00 0.00 O ATOM 857 CB GLN A 54 3.722 5.285 6.849 1.00 0.00 C ATOM 858 CG GLN A 54 2.253 5.085 6.413 1.00 0.00 C ATOM 859 CD GLN A 54 1.252 4.890 7.563 1.00 0.00 C ATOM 860 OE1 GLN A 54 1.323 5.463 8.650 1.00 0.00 O ATOM 861 NE2 GLN A 54 0.187 4.199 7.362 1.00 0.00 N ATOM 0 H GLN A 54 6.337 6.043 7.047 1.00 0.00 H new ATOM 0 HA GLN A 54 4.489 5.382 4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.098 4.334 7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.737 5.986 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.944 5.950 5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.200 4.217 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.063 3.698 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.534 4.152 8.082 1.00 0.00 H new ATOM 870 N ARG A 55 4.375 7.869 4.331 1.00 0.00 N ATOM 871 CA ARG A 55 4.418 9.337 4.044 1.00 0.00 C ATOM 872 C ARG A 55 3.150 9.866 3.293 1.00 0.00 C ATOM 873 O ARG A 55 2.761 9.332 2.259 1.00 0.00 O ATOM 874 CB ARG A 55 5.710 9.600 3.240 1.00 0.00 C ATOM 875 CG ARG A 55 6.123 11.097 3.247 1.00 0.00 C ATOM 876 CD ARG A 55 7.410 11.381 2.466 1.00 0.00 C ATOM 877 NE ARG A 55 7.565 12.874 2.289 1.00 0.00 N ATOM 878 CZ ARG A 55 8.495 13.454 1.518 1.00 0.00 C ATOM 879 NH1 ARG A 55 9.370 12.824 0.808 1.00 0.00 N ATOM 880 NH2 ARG A 55 8.473 14.725 1.435 1.00 0.00 N ATOM 0 H ARG A 55 4.159 7.290 3.519 1.00 0.00 H new ATOM 0 HA ARG A 55 4.420 9.887 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.520 9.001 3.656 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.566 9.271 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.313 11.691 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.254 11.425 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.270 10.975 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.376 10.889 1.494 1.00 0.00 H new ATOM 0 HE ARG A 55 6.917 13.482 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.387 11.804 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.044 13.346 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.767 15.257 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.161 15.211 0.860 1.00 0.00 H new ATOM 894 N ARG A 56 2.501 10.900 3.831 1.00 0.00 N ATOM 895 CA ARG A 56 1.369 11.590 3.156 1.00 0.00 C ATOM 896 C ARG A 56 1.824 12.840 2.388 1.00 0.00 C ATOM 897 O ARG A 56 2.568 13.686 2.919 1.00 0.00 O ATOM 898 CB ARG A 56 0.308 12.030 4.232 1.00 0.00 C ATOM 899 CG ARG A 56 -1.058 12.274 3.577 1.00 0.00 C ATOM 900 CD ARG A 56 -2.055 13.020 4.506 1.00 0.00 C ATOM 901 NE ARG A 56 -3.313 13.281 3.730 1.00 0.00 N ATOM 902 CZ ARG A 56 -3.506 14.320 2.917 1.00 0.00 C ATOM 903 NH1 ARG A 56 -2.621 15.269 2.709 1.00 0.00 N ATOM 904 NH2 ARG A 56 -4.623 14.399 2.288 1.00 0.00 N ATOM 0 H ARG A 56 2.734 11.292 4.743 1.00 0.00 H new ATOM 0 HA ARG A 56 0.941 10.886 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.218 11.259 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.645 12.938 4.732 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.918 12.853 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.490 11.317 3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.271 12.421 5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.622 13.958 4.854 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.077 12.614 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.719 15.238 3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.836 16.036 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.333 13.678 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.800 15.182 1.659 1.00 0.00 H new ATOM 918 N ARG A 57 1.263 13.049 1.160 1.00 0.00 N ATOM 919 CA ARG A 57 1.374 14.391 0.446 1.00 0.00 C ATOM 920 C ARG A 57 0.009 14.833 -0.197 1.00 0.00 C ATOM 921 O ARG A 57 -0.541 15.799 0.297 1.00 0.00 O ATOM 922 CB ARG A 57 2.615 14.312 -0.493 1.00 0.00 C ATOM 923 CG ARG A 57 3.224 15.565 -1.156 1.00 0.00 C ATOM 924 CD ARG A 57 2.378 16.430 -2.126 1.00 0.00 C ATOM 925 NE ARG A 57 3.295 17.139 -3.053 1.00 0.00 N ATOM 926 CZ ARG A 57 3.022 18.163 -3.845 1.00 0.00 C ATOM 927 NH1 ARG A 57 1.876 18.784 -3.846 1.00 0.00 N ATOM 928 NH2 ARG A 57 3.975 18.559 -4.644 1.00 0.00 N ATOM 0 H ARG A 57 0.742 12.340 0.644 1.00 0.00 H new ATOM 0 HA ARG A 57 1.557 15.216 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.413 13.842 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.355 13.626 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.565 16.220 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.110 15.242 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.685 15.802 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.777 17.147 -1.567 1.00 0.00 H new ATOM 0 HE ARG A 57 4.254 16.794 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.134 18.486 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.722 19.568 -4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.877 18.083 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.818 19.344 -5.276 1.00 0.00 H new ATOM 942 N PRO A 58 -0.602 14.183 -1.267 1.00 0.00 N ATOM 943 CA PRO A 58 -1.826 14.687 -1.991 1.00 0.00 C ATOM 944 C PRO A 58 -3.234 14.599 -1.282 1.00 0.00 C ATOM 945 O PRO A 58 -3.283 14.086 -0.161 1.00 0.00 O ATOM 946 CB PRO A 58 -1.723 13.866 -3.296 1.00 0.00 C ATOM 947 CG PRO A 58 -1.032 12.566 -2.981 1.00 0.00 C ATOM 948 CD PRO A 58 -0.008 13.044 -1.942 1.00 0.00 C ATOM 0 HA PRO A 58 -1.810 15.772 -2.090 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.715 13.679 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.165 14.420 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.716 11.819 -2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.559 12.124 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.223 12.250 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.929 13.324 -2.422 1.00 0.00 H new ATOM 956 N PRO A 59 -4.376 15.070 -1.901 1.00 0.00 N ATOM 957 CA PRO A 59 -5.740 15.057 -1.265 1.00 0.00 C ATOM 958 C PRO A 59 -6.339 13.748 -0.647 1.00 0.00 C ATOM 959 O PRO A 59 -6.832 13.813 0.475 1.00 0.00 O ATOM 960 CB PRO A 59 -6.612 15.722 -2.346 1.00 0.00 C ATOM 961 CG PRO A 59 -5.724 16.635 -3.172 1.00 0.00 C ATOM 962 CD PRO A 59 -4.433 15.816 -3.188 1.00 0.00 C ATOM 0 HA PRO A 59 -5.684 15.575 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.075 14.966 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.420 16.291 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.120 16.806 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.590 17.613 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.423 15.128 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.565 16.466 -3.296 1.00 0.00 H new ATOM 970 N GLN A 60 -6.358 12.514 -1.146 1.00 0.00 N ATOM 971 CA GLN A 60 -6.195 12.119 -2.601 1.00 0.00 C ATOM 972 C GLN A 60 -7.320 11.097 -3.081 1.00 0.00 C ATOM 973 O GLN A 60 -7.635 10.185 -2.312 1.00 0.00 O ATOM 974 CB GLN A 60 -4.769 11.499 -2.732 1.00 0.00 C ATOM 975 CG GLN A 60 -4.349 11.029 -4.178 1.00 0.00 C ATOM 976 CD GLN A 60 -4.585 11.920 -5.425 1.00 0.00 C ATOM 977 OE1 GLN A 60 -4.514 13.150 -5.339 1.00 0.00 O ATOM 978 NE2 GLN A 60 -4.766 11.356 -6.587 1.00 0.00 N ATOM 0 H GLN A 60 -6.492 11.702 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.308 12.991 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.042 12.233 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.703 10.643 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.281 10.813 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.860 10.084 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.825 10.340 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.849 11.931 -7.426 1.00 0.00 H new ATOM 987 N GLY A 61 -7.752 11.162 -4.359 1.00 0.00 N ATOM 988 CA GLY A 61 -8.220 9.964 -5.128 1.00 0.00 C ATOM 989 C GLY A 61 -7.270 8.785 -5.170 1.00 0.00 C ATOM 990 O GLY A 61 -7.264 8.009 -4.223 1.00 0.00 O ATOM 0 H GLY A 61 -7.790 12.031 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.164 9.628 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.428 10.274 -6.152 1.00 0.00 H new ATOM 994 N ASN A 62 -6.499 8.605 -6.257 1.00 0.00 N ATOM 995 CA ASN A 62 -5.750 7.325 -6.569 1.00 0.00 C ATOM 996 C ASN A 62 -4.925 6.674 -5.372 1.00 0.00 C ATOM 997 O ASN A 62 -5.129 5.499 -5.044 1.00 0.00 O ATOM 998 CB ASN A 62 -4.818 7.571 -7.804 1.00 0.00 C ATOM 999 CG ASN A 62 -5.521 8.037 -9.077 1.00 0.00 C ATOM 1000 OD1 ASN A 62 -5.796 9.193 -9.253 1.00 0.00 O ATOM 1001 ND2 ASN A 62 -5.839 7.181 -9.993 1.00 0.00 N ATOM 0 H ASN A 62 -6.362 9.331 -6.960 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.522 6.585 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.070 8.315 -7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.283 6.647 -8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.312 7.493 -10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.616 6.194 -9.868 1.00 0.00 H new ATOM 1008 N GLN A 63 -4.080 7.440 -4.678 1.00 0.00 N ATOM 1009 CA GLN A 63 -3.205 6.914 -3.569 1.00 0.00 C ATOM 1010 C GLN A 63 -3.891 6.438 -2.228 1.00 0.00 C ATOM 1011 O GLN A 63 -3.199 6.104 -1.279 1.00 0.00 O ATOM 1012 CB GLN A 63 -2.119 8.065 -3.366 1.00 0.00 C ATOM 1013 CG GLN A 63 -0.913 7.776 -2.397 1.00 0.00 C ATOM 1014 CD GLN A 63 0.045 8.947 -2.151 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -0.078 9.631 -1.133 1.00 0.00 O ATOM 1016 NE2 GLN A 63 0.990 9.150 -3.043 1.00 0.00 N ATOM 0 H GLN A 63 -3.966 8.439 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.788 5.953 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.709 8.315 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.636 8.952 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.314 7.452 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.340 6.942 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.048 8.555 -3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.665 9.903 -2.909 1.00 0.00 H new ATOM 1025 N ALA A 64 -5.231 6.336 -2.146 1.00 0.00 N ATOM 1026 CA ALA A 64 -6.009 5.661 -1.053 1.00 0.00 C ATOM 1027 C ALA A 64 -6.604 4.233 -1.407 1.00 0.00 C ATOM 1028 O ALA A 64 -6.656 3.331 -0.553 1.00 0.00 O ATOM 1029 CB ALA A 64 -7.139 6.594 -0.595 1.00 0.00 C ATOM 0 H ALA A 64 -5.840 6.733 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.287 5.470 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.710 6.112 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.713 7.525 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.798 6.808 -1.437 1.00 0.00 H new ATOM 1035 N HIS A 65 -7.008 4.058 -2.693 1.00 0.00 N ATOM 1036 CA HIS A 65 -7.388 2.758 -3.342 1.00 0.00 C ATOM 1037 C HIS A 65 -6.131 1.900 -3.836 1.00 0.00 C ATOM 1038 O HIS A 65 -5.842 0.763 -3.401 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 -7.084 4.845 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.888 2.146 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.945 3.891 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.410 2.203 -5.233 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 -5.292 2.501 -4.681 1.00 0.00 N ATOM 1054 CA GLN A 66 -4.385 1.824 -5.673 1.00 0.00 C ATOM 1055 C GLN A 66 -3.035 1.215 -5.127 1.00 0.00 C ATOM 1056 O GLN A 66 -2.359 1.766 -4.273 1.00 0.00 O ATOM 1057 CB GLN A 66 -4.039 3.031 -6.601 1.00 0.00 C ATOM 1058 CG GLN A 66 -3.039 2.792 -7.809 1.00 0.00 C ATOM 1059 CD GLN A 66 -2.584 4.029 -8.597 1.00 0.00 C ATOM 1060 OE1 GLN A 66 -3.148 4.385 -9.634 1.00 0.00 O ATOM 1061 NE2 GLN A 66 -1.560 4.709 -8.132 1.00 0.00 N ATOM 0 H GLN A 66 -5.205 3.517 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.879 0.952 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.974 3.411 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.622 3.821 -5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.151 2.294 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.511 2.101 -8.507 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.097 4.410 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.228 5.535 -8.629 1.00 0.00 H new ATOM 1070 N ASP A 67 -2.567 0.105 -5.741 1.00 0.00 N ATOM 1071 CA ASP A 67 -1.154 -0.349 -5.621 1.00 0.00 C ATOM 1072 C ASP A 67 -0.216 0.306 -6.702 1.00 0.00 C ATOM 1073 O ASP A 67 0.709 1.000 -6.262 1.00 0.00 O ATOM 1074 CB ASP A 67 -1.161 -1.921 -5.600 1.00 0.00 C ATOM 1075 CG ASP A 67 -0.751 -2.585 -4.287 1.00 0.00 C ATOM 1076 OD1 ASP A 67 -0.873 -2.001 -3.199 1.00 0.00 O ATOM 1077 OD2 ASP A 67 -0.251 -3.726 -4.356 1.00 0.00 O ATOM 0 H ASP A 67 -3.145 -0.497 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.711 -0.004 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.164 -2.262 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.494 -2.276 -6.385 1.00 0.00 H new ATOM 1082 N PRO A 68 -0.385 0.143 -8.054 1.00 0.00 N ATOM 1083 CA PRO A 68 0.678 0.372 -9.028 1.00 0.00 C ATOM 1084 C PRO A 68 0.568 1.712 -9.856 1.00 0.00 C ATOM 1085 O PRO A 68 0.792 2.766 -9.279 1.00 0.00 O ATOM 1086 CB PRO A 68 0.504 -0.953 -9.801 1.00 0.00 C ATOM 1087 CG PRO A 68 -0.988 -1.171 -9.953 1.00 0.00 C ATOM 1088 CD PRO A 68 -1.553 -0.577 -8.653 1.00 0.00 C ATOM 0 HA PRO A 68 1.678 0.555 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.989 -0.900 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.964 -1.780 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.383 -0.665 -10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.234 -2.228 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.383 0.101 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.928 -1.354 -7.988 1.00 0.00 H new ATOM 1096 N LEU A 69 0.185 1.720 -11.171 1.00 0.00 N ATOM 1097 CA LEU A 69 -0.062 2.937 -12.036 1.00 0.00 C ATOM 1098 C LEU A 69 -0.928 2.559 -13.334 1.00 0.00 C ATOM 1099 O LEU A 69 -1.726 3.426 -13.699 1.00 0.00 O ATOM 1100 CB LEU A 69 1.225 3.680 -12.499 1.00 0.00 C ATOM 1101 CG LEU A 69 2.061 4.520 -11.506 1.00 0.00 C ATOM 1102 CD1 LEU A 69 3.285 5.135 -12.226 1.00 0.00 C ATOM 1103 CD2 LEU A 69 1.307 5.569 -10.655 1.00 0.00 C ATOM 0 H LEU A 69 0.032 0.851 -11.683 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.610 3.620 -11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.892 2.929 -12.922 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.935 4.344 -13.313 1.00 0.00 H new ATOM 0 HG LEU A 69 2.382 3.801 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.866 5.724 -11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.908 4.337 -12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.945 5.777 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.013 6.085 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.825 6.292 -11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.551 5.070 -10.048 1.00 0.00 H new ATOM 1115 N PRO A 70 -0.885 1.451 -14.113 1.00 0.00 N ATOM 1116 CA PRO A 70 -1.652 1.389 -15.400 1.00 0.00 C ATOM 1117 C PRO A 70 -3.015 0.646 -15.349 1.00 0.00 C ATOM 1118 O PRO A 70 -3.160 -0.344 -14.628 1.00 0.00 O ATOM 1119 CB PRO A 70 -0.598 0.673 -16.245 1.00 0.00 C ATOM 1120 CG PRO A 70 0.035 -0.380 -15.300 1.00 0.00 C ATOM 1121 CD PRO A 70 0.121 0.385 -13.972 1.00 0.00 C ATOM 0 HA PRO A 70 -1.998 2.357 -15.762 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.048 0.199 -17.117 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.152 1.372 -16.614 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.582 -1.274 -15.215 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.016 -0.702 -15.649 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.099 -0.262 -13.123 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.118 0.795 -13.811 1.00 0.00 H new ATOM 1129 N GLU A 71 -3.951 1.012 -16.222 1.00 0.00 N ATOM 1130 CA GLU A 71 -5.295 0.441 -16.285 1.00 0.00 C ATOM 1131 C GLU A 71 -5.526 -1.009 -16.804 1.00 0.00 C ATOM 1132 O GLU A 71 -6.213 -1.302 -17.793 1.00 0.00 O ATOM 1133 CB GLU A 71 -6.203 1.476 -17.024 1.00 0.00 C ATOM 1134 CG GLU A 71 -5.880 2.030 -18.442 1.00 0.00 C ATOM 1135 CD GLU A 71 -4.964 3.251 -18.538 1.00 0.00 C ATOM 1136 OE1 GLU A 71 -3.775 3.194 -18.202 1.00 0.00 O ATOM 1137 OE2 GLU A 71 -5.470 4.330 -18.854 1.00 0.00 O ATOM 0 H GLU A 71 -3.791 1.734 -16.925 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.555 0.274 -15.240 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.195 1.028 -17.086 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.284 2.341 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.427 1.225 -19.021 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.824 2.280 -18.927 1.00 0.00 H new ATOM 1144 N GLN A 72 -4.921 -1.967 -16.080 1.00 0.00 N ATOM 1145 CA GLN A 72 -4.678 -3.346 -16.596 1.00 0.00 C ATOM 1146 C GLN A 72 -4.762 -4.449 -15.445 1.00 0.00 C ATOM 1147 O GLN A 72 -3.721 -4.692 -14.820 1.00 0.00 O ATOM 1148 CB GLN A 72 -3.281 -3.351 -17.316 1.00 0.00 C ATOM 1149 CG GLN A 72 -3.051 -2.456 -18.567 1.00 0.00 C ATOM 1150 CD GLN A 72 -1.626 -2.492 -19.181 1.00 0.00 C ATOM 1151 OE1 GLN A 72 -0.684 -3.038 -18.597 1.00 0.00 O ATOM 1152 NE2 GLN A 72 -1.499 -1.865 -20.312 1.00 0.00 N ATOM 0 H GLN A 72 -4.586 -1.820 -15.128 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.462 -3.614 -17.304 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.533 -3.071 -16.575 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.070 -4.379 -17.609 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.764 -2.753 -19.337 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.283 -1.425 -18.299 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.313 -1.432 -20.749 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.586 -1.806 -20.762 1.00 0.00 H new ATOM 1161 N PRO A 73 -5.859 -5.142 -14.982 1.00 0.00 N ATOM 1162 CA PRO A 73 -5.838 -6.072 -13.787 1.00 0.00 C ATOM 1163 C PRO A 73 -5.021 -7.435 -13.989 1.00 0.00 C ATOM 1164 O PRO A 73 -5.592 -8.466 -14.392 1.00 0.00 O ATOM 1165 CB PRO A 73 -7.369 -6.328 -13.585 1.00 0.00 C ATOM 1166 CG PRO A 73 -7.930 -6.180 -15.022 1.00 0.00 C ATOM 1167 CD PRO A 73 -7.187 -4.947 -15.563 1.00 0.00 C ATOM 0 HA PRO A 73 -5.315 -5.638 -12.935 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.563 -7.319 -13.174 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.814 -5.606 -12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.732 -7.066 -15.625 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.010 -6.031 -15.020 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.161 -4.927 -16.653 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.646 -4.014 -15.238 1.00 0.00 H new ATOM 1175 N SER A 74 -3.709 -7.406 -13.615 1.00 0.00 N ATOM 1176 CA SER A 74 -2.828 -8.658 -13.667 1.00 0.00 C ATOM 1177 C SER A 74 -1.666 -8.686 -12.580 1.00 0.00 C ATOM 1178 O SER A 74 -1.727 -7.958 -11.590 1.00 0.00 O ATOM 1179 CB SER A 74 -2.323 -8.813 -15.146 1.00 0.00 C ATOM 1180 OG SER A 74 -1.856 -10.132 -15.405 1.00 0.00 O ATOM 0 H SER A 74 -3.231 -6.569 -13.282 1.00 0.00 H new ATOM 0 HA SER A 74 -3.420 -9.529 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.133 -8.571 -15.835 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.521 -8.099 -15.334 1.00 0.00 H new ATOM 0 HG SER A 74 -1.551 -10.194 -16.334 1.00 0.00 H new ATOM 1186 N SER A 75 -0.585 -9.471 -12.786 1.00 0.00 N ATOM 1187 CA SER A 75 0.563 -9.626 -11.844 1.00 0.00 C ATOM 1188 C SER A 75 1.729 -8.535 -12.059 1.00 0.00 C ATOM 1189 O SER A 75 2.283 -8.350 -13.154 1.00 0.00 O ATOM 1190 CB SER A 75 1.160 -11.052 -11.942 1.00 0.00 C ATOM 1191 OG SER A 75 1.669 -11.416 -13.254 1.00 0.00 O ATOM 0 H SER A 75 -0.477 -10.032 -13.631 1.00 0.00 H new ATOM 0 HA SER A 75 0.154 -9.458 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.969 -11.141 -11.217 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.393 -11.771 -11.654 1.00 0.00 H new ATOM 0 HG SER A 75 1.918 -10.605 -13.745 1.00 0.00 H new ATOM 1197 N GLN A 76 2.162 -7.932 -10.931 1.00 0.00 N ATOM 1198 CA GLN A 76 3.465 -7.240 -10.814 1.00 0.00 C ATOM 1199 C GLN A 76 3.628 -5.862 -11.560 1.00 0.00 C ATOM 1200 O GLN A 76 4.026 -5.778 -12.713 1.00 0.00 O ATOM 1201 CB GLN A 76 4.637 -8.240 -10.973 1.00 0.00 C ATOM 1202 CG GLN A 76 5.996 -7.764 -10.335 1.00 0.00 C ATOM 1203 CD GLN A 76 6.908 -8.921 -9.958 1.00 0.00 C ATOM 1204 OE1 GLN A 76 6.899 -9.378 -8.824 1.00 0.00 O ATOM 1205 NE2 GLN A 76 7.714 -9.433 -10.836 1.00 0.00 N ATOM 0 H GLN A 76 1.615 -7.911 -10.071 1.00 0.00 H new ATOM 0 HA GLN A 76 3.497 -6.867 -9.790 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.351 -9.189 -10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.795 -8.428 -12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.514 -7.113 -11.039 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.786 -7.169 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.734 -9.064 -11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.328 -10.205 -10.576 1.00 0.00 H new ATOM 1214 N HIS A 77 3.312 -4.753 -10.858 1.00 0.00 N ATOM 1215 CA HIS A 77 2.953 -3.481 -11.517 1.00 0.00 C ATOM 1216 C HIS A 77 1.879 -3.475 -12.655 1.00 0.00 C ATOM 1217 O HIS A 77 2.168 -3.105 -13.783 1.00 0.00 O ATOM 1218 CB HIS A 77 4.266 -2.671 -11.738 1.00 0.00 C ATOM 1219 CG HIS A 77 4.101 -1.153 -12.120 1.00 0.00 C ATOM 1220 ND1 HIS A 77 3.999 -0.083 -11.238 1.00 0.00 N ATOM 1221 CD2 HIS A 77 4.048 -0.692 -13.469 1.00 0.00 C ATOM 1222 CE1 HIS A 77 3.847 0.917 -12.174 1.00 0.00 C ATOM 1223 NE2 HIS A 77 3.852 0.654 -13.514 1.00 0.00 N ATOM 0 H HIS A 77 3.298 -4.714 -9.839 1.00 0.00 H new ATOM 0 HA HIS A 77 2.306 -2.934 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.861 -2.730 -10.826 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.840 -3.160 -12.525 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.028 -0.049 -10.219 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.150 -1.326 -14.338 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.721 1.936 -11.839 1.00 0.00 H new ATOM 1232 N ARG A 78 0.650 -3.835 -12.307 1.00 0.00 N ATOM 1233 CA ARG A 78 -0.448 -4.069 -13.268 1.00 0.00 C ATOM 1234 C ARG A 78 -1.790 -3.879 -12.446 1.00 0.00 C ATOM 1235 O ARG A 78 -2.437 -2.850 -12.567 1.00 0.00 O ATOM 1236 CB ARG A 78 -0.336 -5.525 -13.840 1.00 0.00 C ATOM 1237 CG ARG A 78 0.718 -5.965 -14.886 1.00 0.00 C ATOM 1238 CD ARG A 78 0.545 -5.360 -16.313 1.00 0.00 C ATOM 1239 NE ARG A 78 1.389 -6.239 -17.237 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.429 -6.195 -18.536 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.798 -5.303 -19.262 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.169 -7.114 -19.146 1.00 0.00 N ATOM 0 H ARG A 78 0.372 -3.978 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.414 -3.384 -14.115 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.203 -6.181 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.309 -5.758 -14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.707 -5.696 -14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.692 -7.052 -14.966 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.502 -5.364 -16.616 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.881 -4.324 -16.343 1.00 0.00 H new ATOM 0 HE ARG A 78 1.984 -6.934 -16.786 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.232 -4.585 -18.810 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.874 -5.327 -20.279 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.672 -7.811 -18.597 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.234 -7.123 -20.164 1.00 0.00 H new ATOM 1256 N GLY A 79 -2.196 -4.828 -11.575 1.00 0.00 N ATOM 1257 CA GLY A 79 -3.355 -4.622 -10.651 1.00 0.00 C ATOM 1258 C GLY A 79 -3.121 -5.145 -9.220 1.00 0.00 C ATOM 1259 O GLY A 79 -3.730 -6.106 -8.771 1.00 0.00 O ATOM 0 H GLY A 79 -1.749 -5.740 -11.485 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.583 -3.557 -10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.231 -5.118 -11.069 1.00 0.00 H new ATOM 1263 N ASP A 80 -2.134 -4.571 -8.558 1.00 0.00 N ATOM 1264 CA ASP A 80 -1.401 -5.200 -7.402 1.00 0.00 C ATOM 1265 C ASP A 80 -2.208 -5.729 -6.144 1.00 0.00 C ATOM 1266 O ASP A 80 -1.654 -6.563 -5.421 1.00 0.00 O ATOM 1267 CB ASP A 80 -0.358 -6.221 -7.992 1.00 0.00 C ATOM 1268 CG ASP A 80 0.811 -5.531 -8.701 1.00 0.00 C ATOM 1269 OD1 ASP A 80 0.647 -5.225 -9.897 1.00 0.00 O ATOM 1270 OD2 ASP A 80 1.949 -5.352 -8.178 1.00 0.00 O ATOM 0 H ASP A 80 -1.790 -3.639 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.912 -4.371 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.029 -6.845 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.863 -6.884 -8.694 1.00 0.00 H new ATOM 1275 N HIS A 81 -3.373 -5.171 -5.747 1.00 0.00 N ATOM 1276 CA HIS A 81 -4.102 -5.542 -4.497 1.00 0.00 C ATOM 1277 C HIS A 81 -5.676 -5.285 -4.494 1.00 0.00 C ATOM 1278 O HIS A 81 -6.314 -6.045 -3.767 1.00 0.00 O ATOM 1279 CB HIS A 81 -3.469 -5.008 -3.201 1.00 0.00 C ATOM 1280 CG HIS A 81 -4.033 -3.677 -2.798 1.00 0.00 C ATOM 1281 ND1 HIS A 81 -4.302 -2.613 -3.655 1.00 0.00 N ATOM 1282 CD2 HIS A 81 -4.016 -3.269 -1.471 1.00 0.00 C ATOM 1283 CE1 HIS A 81 -4.436 -1.621 -2.754 1.00 0.00 C ATOM 1284 NE2 HIS A 81 -4.277 -1.924 -1.437 1.00 0.00 N ATOM 0 H HIS A 81 -3.844 -4.443 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.977 -6.625 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -3.630 -5.727 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.391 -4.918 -3.336 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.830 -3.901 -0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.663 -0.613 -3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -4.337 -1.306 -0.628 1.00 0.00 H new ATOM 1293 N PRO A 82 -6.399 -4.288 -5.094 1.00 0.00 N ATOM 1294 CA PRO A 82 -7.896 -4.208 -5.049 1.00 0.00 C ATOM 1295 C PRO A 82 -8.605 -4.955 -6.253 1.00 0.00 C ATOM 1296 O PRO A 82 -7.927 -5.506 -7.118 1.00 0.00 O ATOM 1297 CB PRO A 82 -8.097 -2.671 -5.023 1.00 0.00 C ATOM 1298 CG PRO A 82 -6.782 -2.053 -5.495 1.00 0.00 C ATOM 1299 CD PRO A 82 -5.887 -3.202 -5.958 1.00 0.00 C ATOM 0 HA PRO A 82 -8.357 -4.718 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.920 -2.376 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.348 -2.330 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.957 -1.349 -6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.307 -1.495 -4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.006 -3.422 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.829 -3.000 -5.791 1.00 0.00 H new ATOM 1307 N THR A 83 -9.926 -4.864 -6.403 1.00 0.00 N ATOM 1308 CA THR A 83 -10.550 -4.654 -7.763 1.00 0.00 C ATOM 1309 C THR A 83 -10.338 -3.080 -8.120 1.00 0.00 C ATOM 1310 O THR A 83 -11.141 -2.250 -7.683 1.00 0.00 O ATOM 1311 CB THR A 83 -12.057 -5.197 -7.749 1.00 0.00 C ATOM 1312 OG1 THR A 83 -12.128 -6.556 -7.305 1.00 0.00 O ATOM 1313 CG2 THR A 83 -12.834 -5.202 -9.075 1.00 0.00 C ATOM 0 H THR A 83 -10.594 -4.927 -5.635 1.00 0.00 H new ATOM 0 HA THR A 83 -10.086 -5.225 -8.568 1.00 0.00 H new ATOM 0 HB THR A 83 -12.515 -4.467 -7.082 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.062 -6.853 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.837 -5.596 -8.908 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.903 -4.185 -9.460 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.314 -5.829 -9.799 1.00 0.00 H new ATOM 1321 N GLY A 84 -9.245 -2.747 -8.831 1.00 0.00 N ATOM 1322 CA GLY A 84 -8.658 -1.386 -8.942 1.00 0.00 C ATOM 1323 C GLY A 84 -7.250 -1.323 -9.574 1.00 0.00 C ATOM 1324 O GLY A 84 -6.247 -1.488 -8.847 1.00 0.00 O ATOM 0 H GLY A 84 -8.722 -3.440 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.331 -0.765 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.611 -0.946 -7.946 1.00 0.00 H new ATOM 1328 N PRO A 85 -7.037 -1.108 -10.910 1.00 0.00 N ATOM 1329 CA PRO A 85 -5.665 -0.910 -11.466 1.00 0.00 C ATOM 1330 C PRO A 85 -4.984 0.488 -11.374 1.00 0.00 C ATOM 1331 O PRO A 85 -3.746 0.650 -11.389 1.00 0.00 O ATOM 1332 CB PRO A 85 -5.912 -1.318 -12.918 1.00 0.00 C ATOM 1333 CG PRO A 85 -7.383 -0.912 -13.217 1.00 0.00 C ATOM 1334 CD PRO A 85 -8.099 -0.895 -11.894 1.00 0.00 C ATOM 0 HA PRO A 85 -4.938 -1.473 -10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.220 -0.812 -13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.764 -2.389 -13.056 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.426 0.067 -13.694 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.849 -1.621 -13.901 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.610 0.054 -11.730 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.855 -1.678 -11.840 1.00 0.00 H new ATOM 1342 N LYS A 86 -5.807 1.516 -11.434 1.00 0.00 N ATOM 1343 CA LYS A 86 -5.393 2.958 -11.609 1.00 0.00 C ATOM 1344 C LYS A 86 -6.423 3.780 -10.704 1.00 0.00 C ATOM 1345 O LYS A 86 -7.417 4.302 -11.266 1.00 0.00 O ATOM 1346 CB LYS A 86 -5.413 3.268 -13.134 1.00 0.00 C ATOM 1347 CG LYS A 86 -4.930 4.669 -13.608 1.00 0.00 C ATOM 1348 CD LYS A 86 -4.862 4.740 -15.163 1.00 0.00 C ATOM 1349 CE LYS A 86 -4.261 6.075 -15.649 1.00 0.00 C ATOM 1350 NZ LYS A 86 -4.067 5.906 -17.121 1.00 0.00 N ATOM 0 H LYS A 86 -6.818 1.404 -11.364 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.385 3.219 -11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.800 2.518 -13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.435 3.131 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.608 5.437 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.947 4.880 -13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.261 3.912 -15.539 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.863 4.620 -15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.929 6.909 -15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.316 6.286 -15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.806 6.820 -17.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.309 5.215 -17.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.951 5.565 -17.551 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.315 3.809 -9.344 1.00 0.00 N ATOM 1365 CA GLU A 87 -7.458 3.869 -8.393 1.00 0.00 C ATOM 1366 C GLU A 87 -7.907 2.365 -8.127 1.00 0.00 C ATOM 1367 O GLU A 87 -8.761 1.755 -8.852 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.508 4.940 -8.660 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.593 5.177 -7.552 1.00 0.00 C ATOM 1370 CD GLU A 87 -9.565 6.520 -6.806 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -9.288 7.566 -7.406 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -9.981 6.559 -5.626 1.00 0.00 O ATOM 1373 OXT GLU A 87 -7.199 1.746 -7.274 1.00 0.00 O ATOM 0 H GLU A 87 -5.411 3.791 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.157 4.287 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.991 5.884 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.022 4.684 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.574 5.070 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.499 4.380 -6.814 1.00 0.00 H new TER 1380 GLU A 87