USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 659 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 -62:sc= 0.898 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 151:sc= 1.19 (180deg=1.07) USER MOD Set 2.1: A 72 GLN : amide:sc= 0.503 K(o=0.96,f=0) USER MOD Set 2.2: A 74 SER OG : rot 120:sc= 0.459 USER MOD Set 3.1: A 12 ASN : amide:sc= 0 K(o=-5.9,f=-7.6) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 163:sc= 0.0443 (180deg=-0.495) USER MOD Set 3.3: A 65 HIS :FLIP no HD1:sc= -5.9! C(o=-8.5!,f=-5.9!) USER MOD Set 4.1: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 27 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 25 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 26 HIS : no HE2:sc= 0.0776 K(o=0.078,f=-1) USER MOD Single : A 7 ASN : amide:sc= -0.708! X(o=-0.71!,f=-1.2) USER MOD Single : A 13 HIS : no HD1:sc= -0.944 X(o=-0.94,f=-0.93) USER MOD Single : A 16 SER OG : rot -59:sc= 0.694 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= 0.107 (180deg=-0.193) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.00328 X(o=0.0033,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.12) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.617 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -8.91! C(o=-10!,f=-8.9!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.6!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.03) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 92:sc= -1.42 USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 1.59 (180deg=0.478) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.591) USER MOD Single : A 54 GLN : amide:sc= -0.28 K(o=-0.28,f=-4.2!) USER MOD Single : A 59 SER OG : rot 160:sc= -0.811 USER MOD Single : A 60 GLN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.36! C(o=-2.4!,f=-7.4!) USER MOD Single : A 64 THR OG1 : rot -52:sc= 1.47 USER MOD Single : A 66 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.4!) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= -0.0175 (180deg=-0.128) USER MOD Single : A 76 GLN : amide:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 82 THR OG1 : rot 171:sc= -1.66! USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -13.968 -3.665 13.677 1.00 0.00 N ATOM 33 CA PRO A 3 -12.728 -4.482 13.801 1.00 0.00 C ATOM 34 C PRO A 3 -11.423 -3.709 13.483 1.00 0.00 C ATOM 35 O PRO A 3 -10.345 -4.274 13.577 1.00 0.00 O ATOM 36 CB PRO A 3 -12.955 -5.620 12.798 1.00 0.00 C ATOM 37 CG PRO A 3 -13.983 -5.096 11.764 1.00 0.00 C ATOM 38 CD PRO A 3 -14.714 -3.907 12.417 1.00 0.00 C ATOM 0 HA PRO A 3 -12.578 -4.815 14.828 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.021 -5.899 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.330 -6.511 13.301 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.483 -4.784 10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.689 -5.880 11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.700 -3.029 11.772 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.760 -4.142 12.613 1.00 0.00 H new ATOM 46 N VAL A 4 -11.513 -2.442 13.157 1.00 0.00 N ATOM 47 CA VAL A 4 -10.302 -1.602 12.863 1.00 0.00 C ATOM 48 C VAL A 4 -10.638 -0.122 13.075 1.00 0.00 C ATOM 49 O VAL A 4 -11.760 0.300 12.871 1.00 0.00 O ATOM 50 CB VAL A 4 -9.765 -1.798 11.434 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.935 -3.066 11.367 1.00 0.00 C ATOM 52 CG2 VAL A 4 -10.912 -1.868 10.414 1.00 0.00 C ATOM 0 H VAL A 4 -12.397 -1.940 13.080 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.520 -1.925 13.550 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.141 -0.940 11.183 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.557 -3.200 10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.097 -2.989 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.554 -3.921 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.502 -2.007 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.565 -2.706 10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.484 -0.941 10.446 1.00 0.00 H new ATOM 62 N ASP A 5 -9.634 0.617 13.511 1.00 0.00 N ATOM 63 CA ASP A 5 -9.710 2.101 13.843 1.00 0.00 C ATOM 64 C ASP A 5 -8.618 2.386 14.906 1.00 0.00 C ATOM 65 O ASP A 5 -7.778 3.230 14.680 1.00 0.00 O ATOM 66 CB ASP A 5 -11.100 2.426 14.344 1.00 0.00 C ATOM 67 CG ASP A 5 -11.128 3.566 15.373 1.00 0.00 C ATOM 68 OD1 ASP A 5 -10.991 4.705 14.964 1.00 0.00 O ATOM 69 OD2 ASP A 5 -11.289 3.276 16.545 1.00 0.00 O ATOM 0 H ASP A 5 -8.703 0.229 13.661 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.530 2.730 12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.729 2.697 13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.535 1.532 14.791 1.00 0.00 H new ATOM 74 N PRO A 6 -8.565 1.586 15.988 1.00 0.00 N ATOM 75 CA PRO A 6 -7.453 1.697 16.950 1.00 0.00 C ATOM 76 C PRO A 6 -6.195 1.117 16.228 1.00 0.00 C ATOM 77 O PRO A 6 -5.072 1.441 16.559 1.00 0.00 O ATOM 78 CB PRO A 6 -7.909 0.865 18.156 1.00 0.00 C ATOM 79 CG PRO A 6 -8.988 -0.106 17.633 1.00 0.00 C ATOM 80 CD PRO A 6 -9.556 0.526 16.346 1.00 0.00 C ATOM 0 HA PRO A 6 -7.203 2.704 17.285 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.072 0.318 18.589 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.311 1.506 18.940 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.561 -1.087 17.428 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.774 -0.249 18.375 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.654 -0.212 15.550 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.547 0.948 16.514 1.00 0.00 H new ATOM 88 N ASN A 7 -6.427 0.285 15.191 1.00 0.00 N ATOM 89 CA ASN A 7 -5.367 -0.311 14.351 1.00 0.00 C ATOM 90 C ASN A 7 -4.459 0.731 13.754 1.00 0.00 C ATOM 91 O ASN A 7 -3.269 0.596 13.847 1.00 0.00 O ATOM 92 CB ASN A 7 -5.982 -0.948 13.066 1.00 0.00 C ATOM 93 CG ASN A 7 -4.959 -1.860 12.325 1.00 0.00 C ATOM 94 OD1 ASN A 7 -5.347 -2.631 11.480 1.00 0.00 O ATOM 95 ND2 ASN A 7 -3.667 -1.813 12.598 1.00 0.00 N ATOM 0 H ASN A 7 -7.367 0.005 14.910 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.852 -1.008 15.012 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.861 -1.533 13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.318 -0.158 12.394 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.018 -2.421 12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.319 -1.169 13.308 1.00 0.00 H new ATOM 102 N ILE A 8 -5.067 1.609 12.966 1.00 0.00 N ATOM 103 CA ILE A 8 -4.328 2.563 12.090 1.00 0.00 C ATOM 104 C ILE A 8 -2.935 2.917 12.607 1.00 0.00 C ATOM 105 O ILE A 8 -2.718 3.819 13.374 1.00 0.00 O ATOM 106 CB ILE A 8 -5.176 3.757 11.638 1.00 0.00 C ATOM 107 CG1 ILE A 8 -6.674 3.476 11.819 1.00 0.00 C ATOM 108 CG2 ILE A 8 -4.933 3.880 10.143 1.00 0.00 C ATOM 109 CD1 ILE A 8 -7.504 4.602 11.269 1.00 0.00 C ATOM 0 H ILE A 8 -6.081 1.695 12.903 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.128 2.020 11.166 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.911 4.644 12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.937 2.546 11.315 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.897 3.339 12.877 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.509 4.717 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.872 4.052 9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.243 2.960 9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.561 4.377 11.410 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.256 5.526 11.792 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.297 4.721 10.205 1.00 0.00 H new ATOM 121 N GLU A 9 -2.013 2.098 12.149 1.00 0.00 N ATOM 122 CA GLU A 9 -0.570 2.164 12.496 1.00 0.00 C ATOM 123 C GLU A 9 0.216 1.914 11.201 1.00 0.00 C ATOM 124 O GLU A 9 0.865 2.830 10.718 1.00 0.00 O ATOM 125 CB GLU A 9 -0.200 1.116 13.551 1.00 0.00 C ATOM 126 CG GLU A 9 0.616 1.762 14.671 1.00 0.00 C ATOM 127 CD GLU A 9 1.235 0.673 15.541 1.00 0.00 C ATOM 128 OE1 GLU A 9 0.523 0.119 16.366 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.418 0.414 15.382 1.00 0.00 O ATOM 0 H GLU A 9 -2.231 1.338 11.505 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.332 3.139 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.104 0.668 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.374 0.312 13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.398 2.393 14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.022 2.407 15.275 1.00 0.00 H new ATOM 136 N PRO A 10 0.082 0.700 10.602 1.00 0.00 N ATOM 137 CA PRO A 10 0.732 0.418 9.314 1.00 0.00 C ATOM 138 C PRO A 10 0.113 1.292 8.213 1.00 0.00 C ATOM 139 O PRO A 10 0.815 1.673 7.293 1.00 0.00 O ATOM 140 CB PRO A 10 0.502 -1.074 9.083 1.00 0.00 C ATOM 141 CG PRO A 10 -0.699 -1.469 9.954 1.00 0.00 C ATOM 142 CD PRO A 10 -0.701 -0.476 11.121 1.00 0.00 C ATOM 0 HA PRO A 10 1.797 0.649 9.305 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.302 -1.278 8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.386 -1.650 9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.629 -1.413 9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.605 -2.494 10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.715 -0.189 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.236 -0.904 12.009 1.00 0.00 H new ATOM 150 N TRP A 11 -1.176 1.671 8.314 1.00 0.00 N ATOM 151 CA TRP A 11 -1.735 2.576 7.266 1.00 0.00 C ATOM 152 C TRP A 11 -1.813 4.041 7.799 1.00 0.00 C ATOM 153 O TRP A 11 -2.769 4.752 7.545 1.00 0.00 O ATOM 154 CB TRP A 11 -3.087 2.082 6.765 1.00 0.00 C ATOM 155 CG TRP A 11 -2.931 1.625 5.333 1.00 0.00 C ATOM 156 CD1 TRP A 11 -3.751 0.755 4.750 1.00 0.00 C ATOM 157 CD2 TRP A 11 -1.920 1.976 4.311 1.00 0.00 C ATOM 158 NE1 TRP A 11 -3.355 0.544 3.443 1.00 0.00 N ATOM 159 CE2 TRP A 11 -2.220 1.260 3.133 1.00 0.00 C ATOM 160 CE3 TRP A 11 -0.785 2.834 4.282 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -1.432 1.380 1.992 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -0.005 2.942 3.140 1.00 0.00 C ATOM 163 CH2 TRP A 11 -0.323 2.220 2.007 1.00 0.00 C ATOM 0 H TRP A 11 -1.821 1.393 9.054 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.061 2.566 6.410 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.445 1.262 7.387 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.829 2.878 6.830 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.598 0.284 5.226 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.843 -0.067 2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.528 3.408 5.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.680 0.824 1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.856 3.594 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 11 0.294 2.308 1.125 1.00 0.00 H new ATOM 174 N ASN A 12 -0.783 4.484 8.536 1.00 0.00 N ATOM 175 CA ASN A 12 -0.705 5.893 9.109 1.00 0.00 C ATOM 176 C ASN A 12 -1.573 6.045 10.379 1.00 0.00 C ATOM 177 O ASN A 12 -2.785 5.935 10.335 1.00 0.00 O ATOM 178 CB ASN A 12 -1.125 6.943 8.056 1.00 0.00 C ATOM 179 CG ASN A 12 -0.210 8.165 8.123 1.00 0.00 C ATOM 180 OD1 ASN A 12 0.541 8.415 7.213 1.00 0.00 O ATOM 181 ND2 ASN A 12 -0.230 8.942 9.163 1.00 0.00 N ATOM 0 H ASN A 12 0.025 3.905 8.766 1.00 0.00 H new ATOM 0 HA ASN A 12 0.335 6.066 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.083 6.504 7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.158 7.245 8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.385 9.754 9.205 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.861 8.740 9.938 1.00 0.00 H new ATOM 188 N HIS A 13 -0.941 6.333 11.504 1.00 0.00 N ATOM 189 CA HIS A 13 -1.689 6.527 12.798 1.00 0.00 C ATOM 190 C HIS A 13 -2.237 7.972 12.886 1.00 0.00 C ATOM 191 O HIS A 13 -1.528 8.912 12.549 1.00 0.00 O ATOM 192 CB HIS A 13 -0.730 6.259 13.976 1.00 0.00 C ATOM 193 CG HIS A 13 -1.479 6.146 15.266 1.00 0.00 C ATOM 194 ND1 HIS A 13 -1.777 7.250 16.033 1.00 0.00 N ATOM 195 CD2 HIS A 13 -1.983 5.066 15.942 1.00 0.00 C ATOM 196 CE1 HIS A 13 -2.433 6.817 17.117 1.00 0.00 C ATOM 197 NE2 HIS A 13 -2.587 5.493 17.115 1.00 0.00 N ATOM 0 H HIS A 13 0.070 6.442 11.579 1.00 0.00 H new ATOM 0 HA HIS A 13 -2.529 5.833 12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.173 5.340 13.794 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -0.000 7.065 14.045 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.920 4.040 15.612 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.795 7.465 17.901 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.048 4.920 17.821 1.00 0.00 H new ATOM 205 N PRO A 14 -3.485 8.120 13.339 1.00 0.00 N ATOM 206 CA PRO A 14 -4.128 9.447 13.481 1.00 0.00 C ATOM 207 C PRO A 14 -3.626 10.183 14.754 1.00 0.00 C ATOM 208 O PRO A 14 -4.356 10.369 15.717 1.00 0.00 O ATOM 209 CB PRO A 14 -5.628 9.114 13.541 1.00 0.00 C ATOM 210 CG PRO A 14 -5.736 7.642 14.002 1.00 0.00 C ATOM 211 CD PRO A 14 -4.368 6.990 13.738 1.00 0.00 C ATOM 0 HA PRO A 14 -3.894 10.131 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.144 9.776 14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.094 9.250 12.565 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.993 7.586 15.060 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.523 7.123 13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.990 6.487 14.628 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.432 6.239 12.950 1.00 0.00 H new ATOM 219 N GLY A 15 -2.373 10.606 14.746 1.00 0.00 N ATOM 220 CA GLY A 15 -1.787 11.343 15.929 1.00 0.00 C ATOM 221 C GLY A 15 -0.318 11.733 15.674 1.00 0.00 C ATOM 222 O GLY A 15 0.507 11.591 16.553 1.00 0.00 O ATOM 0 H GLY A 15 -1.728 10.472 13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.374 12.239 16.129 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.850 10.716 16.818 1.00 0.00 H new ATOM 226 N SER A 16 -0.009 12.234 14.478 1.00 0.00 N ATOM 227 CA SER A 16 1.394 12.671 14.083 1.00 0.00 C ATOM 228 C SER A 16 2.385 11.475 14.002 1.00 0.00 C ATOM 229 O SER A 16 2.899 11.192 12.934 1.00 0.00 O ATOM 230 CB SER A 16 1.916 13.803 15.015 1.00 0.00 C ATOM 231 OG SER A 16 2.567 13.279 16.174 1.00 0.00 O ATOM 0 H SER A 16 -0.697 12.361 13.736 1.00 0.00 H new ATOM 0 HA SER A 16 1.331 13.082 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.611 14.436 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.082 14.435 15.321 1.00 0.00 H new ATOM 0 HG SER A 16 1.938 12.723 16.679 1.00 0.00 H new ATOM 237 N GLN A 17 2.654 10.782 15.094 1.00 0.00 N ATOM 238 CA GLN A 17 3.610 9.622 15.066 1.00 0.00 C ATOM 239 C GLN A 17 2.838 8.280 15.011 1.00 0.00 C ATOM 240 O GLN A 17 1.841 8.122 15.698 1.00 0.00 O ATOM 241 CB GLN A 17 4.485 9.650 16.331 1.00 0.00 C ATOM 242 CG GLN A 17 5.612 10.685 16.167 1.00 0.00 C ATOM 243 CD GLN A 17 6.856 10.227 16.935 1.00 0.00 C ATOM 244 OE1 GLN A 17 7.039 10.576 18.079 1.00 0.00 O ATOM 245 NE2 GLN A 17 7.729 9.455 16.355 1.00 0.00 N ATOM 0 H GLN A 17 2.247 10.975 16.009 1.00 0.00 H new ATOM 0 HA GLN A 17 4.234 9.706 14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.875 9.898 17.200 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.910 8.663 16.511 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.852 10.811 15.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.283 11.656 16.537 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.584 9.155 15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.558 9.150 16.865 1.00 0.00 H new ATOM 254 N PRO A 18 3.334 7.333 14.209 1.00 0.00 N ATOM 255 CA PRO A 18 2.715 5.988 14.083 1.00 0.00 C ATOM 256 C PRO A 18 3.053 5.113 15.314 1.00 0.00 C ATOM 257 O PRO A 18 2.168 4.565 15.945 1.00 0.00 O ATOM 258 CB PRO A 18 3.330 5.425 12.792 1.00 0.00 C ATOM 259 CG PRO A 18 4.651 6.199 12.559 1.00 0.00 C ATOM 260 CD PRO A 18 4.541 7.513 13.356 1.00 0.00 C ATOM 0 HA PRO A 18 1.626 6.016 14.041 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.519 4.356 12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.650 5.555 11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.507 5.613 12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.799 6.401 11.498 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.432 7.686 13.960 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.434 8.371 12.693 1.00 0.00 H new ATOM 268 N LYS A 19 4.329 4.999 15.658 1.00 0.00 N ATOM 269 CA LYS A 19 4.750 4.181 16.850 1.00 0.00 C ATOM 270 C LYS A 19 6.214 4.516 17.225 1.00 0.00 C ATOM 271 O LYS A 19 6.482 4.924 18.341 1.00 0.00 O ATOM 272 CB LYS A 19 4.609 2.677 16.527 1.00 0.00 C ATOM 273 CG LYS A 19 4.965 1.813 17.757 1.00 0.00 C ATOM 274 CD LYS A 19 3.920 1.991 18.883 1.00 0.00 C ATOM 275 CE LYS A 19 2.554 1.418 18.467 1.00 0.00 C ATOM 276 NZ LYS A 19 2.658 -0.059 18.247 1.00 0.00 N ATOM 0 H LYS A 19 5.098 5.443 15.156 1.00 0.00 H new ATOM 0 HA LYS A 19 4.108 4.420 17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.588 2.463 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.262 2.417 15.694 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.016 0.764 17.466 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.953 2.089 18.126 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.267 1.492 19.788 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.816 3.049 19.123 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.814 1.627 19.239 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.210 1.905 17.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.746 -0.508 18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.904 -0.246 17.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.396 -0.451 18.866 1.00 0.00 H new ATOM 290 N THR A 20 7.152 4.337 16.303 1.00 0.00 N ATOM 291 CA THR A 20 8.600 4.633 16.608 1.00 0.00 C ATOM 292 C THR A 20 9.238 5.441 15.457 1.00 0.00 C ATOM 293 O THR A 20 9.587 6.595 15.640 1.00 0.00 O ATOM 294 CB THR A 20 9.390 3.315 16.831 1.00 0.00 C ATOM 295 OG1 THR A 20 8.548 2.324 17.412 1.00 0.00 O ATOM 296 CG2 THR A 20 10.567 3.577 17.773 1.00 0.00 C ATOM 0 H THR A 20 6.974 4.000 15.357 1.00 0.00 H new ATOM 0 HA THR A 20 8.643 5.226 17.522 1.00 0.00 H new ATOM 0 HB THR A 20 9.753 2.960 15.866 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.059 1.498 17.545 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.121 2.651 17.929 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.226 4.325 17.332 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.193 3.942 18.730 1.00 0.00 H new ATOM 304 N ALA A 21 9.400 4.848 14.279 1.00 0.00 N ATOM 305 CA ALA A 21 10.030 5.581 13.119 1.00 0.00 C ATOM 306 C ALA A 21 9.544 4.996 11.762 1.00 0.00 C ATOM 307 O ALA A 21 8.647 4.165 11.723 1.00 0.00 O ATOM 308 CB ALA A 21 11.560 5.450 13.237 1.00 0.00 C ATOM 0 H ALA A 21 9.121 3.888 14.076 1.00 0.00 H new ATOM 0 HA ALA A 21 9.738 6.631 13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.035 5.973 12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.891 5.887 14.179 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.838 4.397 13.208 1.00 0.00 H new ATOM 314 N CYS A 22 10.132 5.434 10.654 1.00 0.00 N ATOM 315 CA CYS A 22 9.723 4.924 9.294 1.00 0.00 C ATOM 316 C CYS A 22 10.691 3.815 8.824 1.00 0.00 C ATOM 317 O CYS A 22 11.903 3.984 8.848 1.00 0.00 O ATOM 318 CB CYS A 22 9.730 6.086 8.283 1.00 0.00 C ATOM 319 SG CYS A 22 8.027 6.547 7.876 1.00 0.00 S ATOM 0 H CYS A 22 10.881 6.126 10.639 1.00 0.00 H new ATOM 0 HA CYS A 22 8.718 4.507 9.360 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.259 6.942 8.701 1.00 0.00 H new ATOM 0 HB3 CYS A 22 10.264 5.792 7.379 1.00 0.00 H new ATOM 0 HG CYS A 22 8.035 7.529 7.024 1.00 0.00 H new ATOM 325 N ASN A 23 10.154 2.687 8.397 1.00 0.00 N ATOM 326 CA ASN A 23 11.008 1.534 7.918 1.00 0.00 C ATOM 327 C ASN A 23 11.503 1.747 6.466 1.00 0.00 C ATOM 328 O ASN A 23 12.551 1.238 6.105 1.00 0.00 O ATOM 329 CB ASN A 23 10.185 0.235 7.986 1.00 0.00 C ATOM 330 CG ASN A 23 11.081 -0.935 8.404 1.00 0.00 C ATOM 331 OD1 ASN A 23 10.985 -1.416 9.509 1.00 0.00 O ATOM 332 ND2 ASN A 23 11.952 -1.418 7.568 1.00 0.00 N ATOM 0 H ASN A 23 9.150 2.512 8.359 1.00 0.00 H new ATOM 0 HA ASN A 23 11.883 1.471 8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.368 0.350 8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.735 0.029 7.015 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.548 -2.197 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.039 -1.018 6.634 1.00 0.00 H new ATOM 339 N ARG A 24 10.752 2.470 5.634 1.00 0.00 N ATOM 340 CA ARG A 24 11.150 2.715 4.187 1.00 0.00 C ATOM 341 C ARG A 24 11.078 1.383 3.377 1.00 0.00 C ATOM 342 O ARG A 24 10.422 0.445 3.800 1.00 0.00 O ATOM 343 CB ARG A 24 12.570 3.339 4.113 1.00 0.00 C ATOM 344 CG ARG A 24 12.649 4.595 4.999 1.00 0.00 C ATOM 345 CD ARG A 24 13.822 5.472 4.554 1.00 0.00 C ATOM 346 NE ARG A 24 15.095 4.928 5.131 1.00 0.00 N ATOM 347 CZ ARG A 24 15.712 5.561 6.078 1.00 0.00 C ATOM 348 NH1 ARG A 24 16.581 6.481 5.780 1.00 0.00 N ATOM 349 NH2 ARG A 24 15.458 5.270 7.316 1.00 0.00 N ATOM 0 H ARG A 24 9.869 2.905 5.903 1.00 0.00 H new ATOM 0 HA ARG A 24 10.450 3.422 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.312 2.610 4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.807 3.598 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.717 5.157 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.774 4.307 6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.883 5.493 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.669 6.499 4.885 1.00 0.00 H new ATOM 0 HE ARG A 24 15.478 4.052 4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.775 6.702 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.069 6.982 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.775 4.546 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.941 5.765 8.066 1.00 0.00 H new ATOM 363 N CYS A 25 11.725 1.313 2.208 1.00 0.00 N ATOM 364 CA CYS A 25 11.708 0.075 1.326 1.00 0.00 C ATOM 365 C CYS A 25 10.300 -0.139 0.713 1.00 0.00 C ATOM 366 O CYS A 25 10.104 0.096 -0.471 1.00 0.00 O ATOM 367 CB CYS A 25 12.163 -1.170 2.121 1.00 0.00 C ATOM 368 SG CYS A 25 12.486 -2.541 0.980 1.00 0.00 S ATOM 0 H CYS A 25 12.274 2.083 1.826 1.00 0.00 H new ATOM 0 HA CYS A 25 12.413 0.226 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 25 13.063 -0.940 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 25 11.394 -1.456 2.839 1.00 0.00 H new ATOM 0 HG CYS A 25 12.870 -3.585 1.653 1.00 0.00 H new ATOM 374 N HIS A 26 9.326 -0.563 1.500 1.00 0.00 N ATOM 375 CA HIS A 26 7.926 -0.779 0.984 1.00 0.00 C ATOM 376 C HIS A 26 6.910 -0.027 1.887 1.00 0.00 C ATOM 377 O HIS A 26 5.864 -0.545 2.234 1.00 0.00 O ATOM 378 CB HIS A 26 7.609 -2.296 0.925 1.00 0.00 C ATOM 379 CG HIS A 26 7.930 -2.974 2.239 1.00 0.00 C ATOM 380 ND1 HIS A 26 7.081 -2.918 3.334 1.00 0.00 N ATOM 381 CD2 HIS A 26 9.006 -3.720 2.639 1.00 0.00 C ATOM 382 CE1 HIS A 26 7.663 -3.608 4.332 1.00 0.00 C ATOM 383 NE2 HIS A 26 8.838 -4.119 3.961 1.00 0.00 N ATOM 0 H HIS A 26 9.446 -0.771 2.491 1.00 0.00 H new ATOM 0 HA HIS A 26 7.846 -0.379 -0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.555 -2.441 0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.184 -2.759 0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.180 -2.441 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.858 -3.962 2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.231 -3.733 5.314 1.00 0.00 H new ATOM 391 N CYS A 27 7.217 1.207 2.254 1.00 0.00 N ATOM 392 CA CYS A 27 6.282 2.020 3.118 1.00 0.00 C ATOM 393 C CYS A 27 5.103 2.581 2.276 1.00 0.00 C ATOM 394 O CYS A 27 4.031 2.820 2.803 1.00 0.00 O ATOM 395 CB CYS A 27 7.063 3.178 3.766 1.00 0.00 C ATOM 396 SG CYS A 27 7.057 2.978 5.567 1.00 0.00 S ATOM 0 H CYS A 27 8.078 1.686 1.991 1.00 0.00 H new ATOM 0 HA CYS A 27 5.870 1.376 3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.088 3.192 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.612 4.132 3.494 1.00 0.00 H new ATOM 0 HG CYS A 27 7.718 3.954 6.114 1.00 0.00 H new ATOM 402 N LYS A 28 5.302 2.795 0.979 1.00 0.00 N ATOM 403 CA LYS A 28 4.209 3.337 0.099 1.00 0.00 C ATOM 404 C LYS A 28 4.425 2.849 -1.355 1.00 0.00 C ATOM 405 O LYS A 28 3.626 2.090 -1.870 1.00 0.00 O ATOM 406 CB LYS A 28 4.224 4.883 0.180 1.00 0.00 C ATOM 407 CG LYS A 28 3.245 5.510 -0.836 1.00 0.00 C ATOM 408 CD LYS A 28 1.804 5.425 -0.307 1.00 0.00 C ATOM 409 CE LYS A 28 1.011 6.650 -0.779 1.00 0.00 C ATOM 410 NZ LYS A 28 -0.291 6.720 -0.048 1.00 0.00 N ATOM 0 H LYS A 28 6.183 2.614 0.498 1.00 0.00 H new ATOM 0 HA LYS A 28 3.236 2.978 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.956 5.199 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.233 5.249 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.513 6.551 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.320 4.992 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.328 4.511 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.808 5.379 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.587 7.558 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.833 6.589 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.692 7.675 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.952 6.024 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.136 6.510 0.959 1.00 0.00 H new ATOM 424 N LYS A 29 5.503 3.290 -2.012 1.00 0.00 N ATOM 425 CA LYS A 29 5.798 2.877 -3.442 1.00 0.00 C ATOM 426 C LYS A 29 4.601 3.256 -4.373 1.00 0.00 C ATOM 427 O LYS A 29 3.818 4.136 -4.043 1.00 0.00 O ATOM 428 CB LYS A 29 6.094 1.356 -3.478 1.00 0.00 C ATOM 429 CG LYS A 29 7.375 1.045 -2.679 1.00 0.00 C ATOM 430 CD LYS A 29 8.596 1.027 -3.617 1.00 0.00 C ATOM 431 CE LYS A 29 9.007 -0.421 -3.929 1.00 0.00 C ATOM 432 NZ LYS A 29 10.167 -0.813 -3.068 1.00 0.00 N ATOM 0 H LYS A 29 6.193 3.924 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 29 6.675 3.409 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.252 0.804 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.211 1.025 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.517 1.794 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.276 0.081 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.360 1.553 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.428 1.556 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.167 -1.093 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.275 -0.514 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.141 -1.838 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.055 -0.564 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.111 -0.309 -2.160 1.00 0.00 H new ATOM 446 N CYS A 30 4.462 2.620 -5.528 1.00 0.00 N ATOM 447 CA CYS A 30 3.329 2.952 -6.464 1.00 0.00 C ATOM 448 C CYS A 30 2.684 1.642 -6.991 1.00 0.00 C ATOM 449 O CYS A 30 2.674 1.374 -8.186 1.00 0.00 O ATOM 450 CB CYS A 30 3.881 3.806 -7.623 1.00 0.00 C ATOM 451 SG CYS A 30 2.535 4.764 -8.370 1.00 0.00 S ATOM 0 H CYS A 30 5.088 1.885 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 30 2.558 3.519 -5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.658 4.477 -7.256 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.343 3.164 -8.373 1.00 0.00 H new ATOM 0 HG CYS A 30 3.004 5.484 -9.345 1.00 0.00 H new ATOM 457 N CYS A 31 2.155 0.817 -6.099 1.00 0.00 N ATOM 458 CA CYS A 31 1.521 -0.482 -6.534 1.00 0.00 C ATOM 459 C CYS A 31 0.542 -1.014 -5.454 1.00 0.00 C ATOM 460 O CYS A 31 0.848 -1.947 -4.722 1.00 0.00 O ATOM 461 CB CYS A 31 2.625 -1.524 -6.839 1.00 0.00 C ATOM 462 SG CYS A 31 3.885 -1.532 -5.531 1.00 0.00 S ATOM 0 H CYS A 31 2.136 0.989 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 31 0.943 -0.303 -7.441 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.181 -2.515 -6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.091 -1.296 -7.798 1.00 0.00 H new ATOM 0 HG CYS A 31 4.796 -2.416 -5.812 1.00 0.00 H new ATOM 468 N TYR A 32 -0.652 -0.430 -5.381 1.00 0.00 N ATOM 469 CA TYR A 32 -1.713 -0.877 -4.387 1.00 0.00 C ATOM 470 C TYR A 32 -1.203 -0.770 -2.921 1.00 0.00 C ATOM 471 O TYR A 32 -0.205 -0.121 -2.648 1.00 0.00 O ATOM 472 CB TYR A 32 -2.131 -2.334 -4.717 1.00 0.00 C ATOM 473 CG TYR A 32 -2.761 -2.391 -6.091 1.00 0.00 C ATOM 474 CD1 TYR A 32 -4.121 -2.107 -6.253 1.00 0.00 C ATOM 475 CD2 TYR A 32 -1.982 -2.728 -7.203 1.00 0.00 C ATOM 476 CE1 TYR A 32 -4.699 -2.160 -7.526 1.00 0.00 C ATOM 477 CE2 TYR A 32 -2.563 -2.780 -8.474 1.00 0.00 C ATOM 478 CZ TYR A 32 -3.919 -2.496 -8.636 1.00 0.00 C ATOM 479 OH TYR A 32 -4.487 -2.550 -9.890 1.00 0.00 O ATOM 0 H TYR A 32 -0.939 0.347 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.577 -0.218 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.260 -2.989 -4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.836 -2.698 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.725 -1.847 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.932 -2.948 -7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.749 -1.941 -7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.961 -3.041 -9.332 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.804 -2.798 -10.548 1.00 0.00 H new ATOM 489 N HIS A 33 -1.888 -1.401 -1.977 1.00 0.00 N ATOM 490 CA HIS A 33 -1.456 -1.347 -0.535 1.00 0.00 C ATOM 491 C HIS A 33 -0.461 -2.503 -0.203 1.00 0.00 C ATOM 492 O HIS A 33 0.072 -2.547 0.887 1.00 0.00 O ATOM 493 CB HIS A 33 -2.741 -1.322 0.352 1.00 0.00 C ATOM 494 CG HIS A 33 -2.624 -2.085 1.651 1.00 0.00 C ATOM 495 ND1 HIS A 33 -1.788 -1.964 2.731 1.00 0.00 N flip ATOM 496 CD2 HIS A 33 -3.523 -3.066 1.985 1.00 0.00 C flip ATOM 497 CE1 HIS A 33 -2.180 -2.847 3.728 1.00 0.00 C flip ATOM 498 NE2 HIS A 33 -3.231 -3.487 3.222 1.00 0.00 N flip ATOM 0 H HIS A 33 -2.729 -1.951 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.892 -0.439 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.992 -0.285 0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.571 -1.734 -0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.324 -3.433 1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.731 -2.984 4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.752 -4.211 3.717 1.00 0.00 H new ATOM 506 N CYS A 34 -0.135 -3.392 -1.148 1.00 0.00 N ATOM 507 CA CYS A 34 0.890 -4.480 -0.871 1.00 0.00 C ATOM 508 C CYS A 34 2.168 -3.872 -0.216 1.00 0.00 C ATOM 509 O CYS A 34 2.855 -4.541 0.536 1.00 0.00 O ATOM 510 CB CYS A 34 1.265 -5.185 -2.184 1.00 0.00 C ATOM 511 SG CYS A 34 0.032 -6.462 -2.554 1.00 0.00 S ATOM 0 H CYS A 34 -0.533 -3.407 -2.087 1.00 0.00 H new ATOM 0 HA CYS A 34 0.455 -5.203 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.311 -4.462 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.255 -5.633 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 34 0.345 -7.059 -3.666 1.00 0.00 H new ATOM 517 N GLN A 35 2.454 -2.597 -0.470 1.00 0.00 N ATOM 518 CA GLN A 35 3.628 -1.920 0.161 1.00 0.00 C ATOM 519 C GLN A 35 3.136 -1.172 1.412 1.00 0.00 C ATOM 520 O GLN A 35 2.662 -0.047 1.343 1.00 0.00 O ATOM 521 CB GLN A 35 4.289 -0.951 -0.843 1.00 0.00 C ATOM 522 CG GLN A 35 4.491 -1.649 -2.199 1.00 0.00 C ATOM 523 CD GLN A 35 5.686 -2.608 -2.133 1.00 0.00 C ATOM 524 OE1 GLN A 35 6.819 -2.199 -2.280 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.484 -3.873 -1.909 1.00 0.00 N ATOM 0 H GLN A 35 1.910 -2.003 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 35 4.380 -2.654 0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.665 -0.066 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.249 -0.611 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.590 -2.199 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.657 -0.904 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.534 -4.224 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.275 -4.515 -1.858 1.00 0.00 H new ATOM 534 N VAL A 36 3.228 -1.830 2.551 1.00 0.00 N ATOM 535 CA VAL A 36 2.752 -1.234 3.847 1.00 0.00 C ATOM 536 C VAL A 36 3.540 -1.851 5.040 1.00 0.00 C ATOM 537 O VAL A 36 4.402 -2.705 4.849 1.00 0.00 O ATOM 538 CB VAL A 36 1.228 -1.526 3.946 1.00 0.00 C ATOM 539 CG1 VAL A 36 0.945 -2.927 4.527 1.00 0.00 C ATOM 540 CG2 VAL A 36 0.530 -0.461 4.802 1.00 0.00 C ATOM 0 H VAL A 36 3.619 -2.768 2.637 1.00 0.00 H new ATOM 0 HA VAL A 36 2.925 -0.158 3.882 1.00 0.00 H new ATOM 0 HB VAL A 36 0.830 -1.496 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.132 -3.089 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.396 -3.685 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.371 -2.999 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.536 -0.682 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.956 -0.464 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.673 0.520 4.350 1.00 0.00 H new ATOM 550 N CYS A 37 3.234 -1.446 6.265 1.00 0.00 N ATOM 551 CA CYS A 37 3.933 -2.028 7.461 1.00 0.00 C ATOM 552 C CYS A 37 3.199 -3.318 7.891 1.00 0.00 C ATOM 553 O CYS A 37 2.018 -3.292 8.174 1.00 0.00 O ATOM 554 CB CYS A 37 3.937 -1.007 8.615 1.00 0.00 C ATOM 555 SG CYS A 37 5.631 -0.447 8.925 1.00 0.00 S ATOM 0 H CYS A 37 2.531 -0.739 6.481 1.00 0.00 H new ATOM 0 HA CYS A 37 4.966 -2.265 7.206 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.302 -0.157 8.364 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.522 -1.459 9.516 1.00 0.00 H new ATOM 0 HG CYS A 37 5.632 0.416 9.897 1.00 0.00 H new ATOM 561 N PHE A 38 3.900 -4.444 7.917 1.00 0.00 N ATOM 562 CA PHE A 38 3.285 -5.779 8.306 1.00 0.00 C ATOM 563 C PHE A 38 2.265 -6.257 7.235 1.00 0.00 C ATOM 564 O PHE A 38 1.593 -5.465 6.595 1.00 0.00 O ATOM 565 CB PHE A 38 2.586 -5.689 9.719 1.00 0.00 C ATOM 566 CG PHE A 38 1.236 -6.425 9.721 1.00 0.00 C ATOM 567 CD1 PHE A 38 0.069 -5.764 9.301 1.00 0.00 C ATOM 568 CD2 PHE A 38 1.178 -7.780 10.069 1.00 0.00 C ATOM 569 CE1 PHE A 38 -1.143 -6.459 9.238 1.00 0.00 C ATOM 570 CE2 PHE A 38 -0.037 -8.469 10.011 1.00 0.00 C ATOM 571 CZ PHE A 38 -1.196 -7.809 9.593 1.00 0.00 C ATOM 0 H PHE A 38 4.891 -4.496 7.681 1.00 0.00 H new ATOM 0 HA PHE A 38 4.093 -6.509 8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.239 -6.120 10.478 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.433 -4.643 9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.108 -4.720 9.027 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.074 -8.294 10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.039 -5.951 8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.080 -9.512 10.289 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.133 -8.343 9.544 1.00 0.00 H new ATOM 581 N ILE A 39 2.091 -7.573 7.137 1.00 0.00 N ATOM 582 CA ILE A 39 1.059 -8.164 6.217 1.00 0.00 C ATOM 583 C ILE A 39 1.079 -9.708 6.261 1.00 0.00 C ATOM 584 O ILE A 39 2.021 -10.323 6.748 1.00 0.00 O ATOM 585 CB ILE A 39 1.248 -7.646 4.780 1.00 0.00 C ATOM 586 CG1 ILE A 39 -0.108 -7.594 4.102 1.00 0.00 C ATOM 587 CG2 ILE A 39 2.221 -8.506 3.956 1.00 0.00 C ATOM 588 CD1 ILE A 39 -0.203 -6.255 3.380 1.00 0.00 C ATOM 0 H ILE A 39 2.630 -8.260 7.664 1.00 0.00 H new ATOM 0 HA ILE A 39 0.078 -7.842 6.567 1.00 0.00 H new ATOM 0 HB ILE A 39 1.691 -6.652 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.217 -8.419 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.908 -7.693 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.313 -8.091 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.199 -8.512 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.842 -9.526 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.168 -6.180 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.105 -5.444 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.596 -6.182 2.642 1.00 0.00 H new ATOM 600 N LYS A 40 0.033 -10.327 5.749 1.00 0.00 N ATOM 601 CA LYS A 40 -0.053 -11.824 5.728 1.00 0.00 C ATOM 602 C LYS A 40 -0.502 -12.310 4.319 1.00 0.00 C ATOM 603 O LYS A 40 0.127 -13.175 3.746 1.00 0.00 O ATOM 604 CB LYS A 40 -1.035 -12.295 6.813 1.00 0.00 C ATOM 605 CG LYS A 40 -0.419 -12.093 8.209 1.00 0.00 C ATOM 606 CD LYS A 40 0.401 -13.337 8.600 1.00 0.00 C ATOM 607 CE LYS A 40 1.781 -12.919 9.134 1.00 0.00 C ATOM 608 NZ LYS A 40 2.723 -12.691 7.991 1.00 0.00 N ATOM 0 H LYS A 40 -0.771 -9.850 5.341 1.00 0.00 H new ATOM 0 HA LYS A 40 0.927 -12.252 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.969 -11.738 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.277 -13.347 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.219 -11.209 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.206 -11.919 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.132 -13.909 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.520 -13.989 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.690 -12.010 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.175 -13.693 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.701 -12.677 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.617 -13.457 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.506 -11.780 7.538 1.00 0.00 H new ATOM 622 N LYS A 41 -1.579 -11.750 3.769 1.00 0.00 N ATOM 623 CA LYS A 41 -2.081 -12.148 2.394 1.00 0.00 C ATOM 624 C LYS A 41 -3.099 -11.081 1.878 1.00 0.00 C ATOM 625 O LYS A 41 -3.098 -9.956 2.351 1.00 0.00 O ATOM 626 CB LYS A 41 -2.753 -13.539 2.487 1.00 0.00 C ATOM 627 CG LYS A 41 -4.037 -13.456 3.335 1.00 0.00 C ATOM 628 CD LYS A 41 -4.017 -14.554 4.395 1.00 0.00 C ATOM 629 CE LYS A 41 -3.373 -14.020 5.674 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.210 -14.411 6.854 1.00 0.00 N ATOM 0 H LYS A 41 -2.135 -11.026 4.224 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.249 -12.199 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.992 -13.903 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.062 -14.256 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.109 -12.478 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.914 -13.566 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.032 -14.893 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.461 -15.417 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.365 -14.420 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.282 -12.935 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.773 -14.048 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.164 -14.009 6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.275 -15.448 6.905 1.00 0.00 H new ATOM 644 N GLY A 42 -3.984 -11.437 0.946 1.00 0.00 N ATOM 645 CA GLY A 42 -5.026 -10.465 0.441 1.00 0.00 C ATOM 646 C GLY A 42 -6.214 -10.404 1.436 1.00 0.00 C ATOM 647 O GLY A 42 -6.757 -9.353 1.647 1.00 0.00 O ATOM 0 H GLY A 42 -4.023 -12.362 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.586 -9.474 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.379 -10.775 -0.543 1.00 0.00 H new ATOM 651 N LEU A 43 -6.576 -11.546 2.042 1.00 0.00 N ATOM 652 CA LEU A 43 -7.710 -11.679 3.068 1.00 0.00 C ATOM 653 C LEU A 43 -8.508 -10.360 3.348 1.00 0.00 C ATOM 654 O LEU A 43 -9.360 -9.980 2.560 1.00 0.00 O ATOM 655 CB LEU A 43 -7.173 -12.346 4.394 1.00 0.00 C ATOM 656 CG LEU A 43 -5.925 -11.674 5.112 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.280 -10.481 4.361 1.00 0.00 C ATOM 658 CD2 LEU A 43 -6.336 -11.200 6.513 1.00 0.00 C ATOM 0 H LEU A 43 -6.106 -12.432 1.856 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.450 -12.337 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.995 -12.376 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.911 -13.379 4.166 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.165 -12.455 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.439 -10.099 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.928 -10.813 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.019 -9.691 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.481 -10.739 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.142 -10.472 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.677 -12.053 7.100 1.00 0.00 H new ATOM 670 N GLY A 44 -8.237 -9.683 4.447 1.00 0.00 N ATOM 671 CA GLY A 44 -8.896 -8.427 4.817 1.00 0.00 C ATOM 672 C GLY A 44 -8.436 -7.326 3.896 1.00 0.00 C ATOM 673 O GLY A 44 -7.483 -6.697 4.206 1.00 0.00 O ATOM 0 H GLY A 44 -7.541 -9.989 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.978 -8.540 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.662 -8.172 5.851 1.00 0.00 H new ATOM 677 N ILE A 45 -9.086 -7.139 2.761 1.00 0.00 N ATOM 678 CA ILE A 45 -8.724 -6.111 1.719 1.00 0.00 C ATOM 679 C ILE A 45 -7.323 -6.436 1.100 1.00 0.00 C ATOM 680 O ILE A 45 -7.201 -6.518 -0.106 1.00 0.00 O ATOM 681 CB ILE A 45 -8.933 -4.627 2.236 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.808 -4.067 3.116 1.00 0.00 C ATOM 683 CG2 ILE A 45 -10.201 -4.549 3.090 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.526 -3.947 2.336 1.00 0.00 C ATOM 0 H ILE A 45 -9.902 -7.694 2.503 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.424 -6.174 0.886 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.975 -4.036 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.096 -3.090 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.655 -4.718 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.340 -3.527 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.062 -4.846 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.105 -5.218 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.743 -3.548 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.229 -4.930 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.676 -3.276 1.490 1.00 0.00 H new ATOM 696 N SER A 46 -6.301 -6.646 1.925 1.00 0.00 N ATOM 697 CA SER A 46 -4.905 -7.005 1.472 1.00 0.00 C ATOM 698 C SER A 46 -3.926 -6.999 2.677 1.00 0.00 C ATOM 699 O SER A 46 -2.788 -6.618 2.540 1.00 0.00 O ATOM 700 CB SER A 46 -4.416 -6.003 0.428 1.00 0.00 C ATOM 701 OG SER A 46 -4.154 -6.678 -0.797 1.00 0.00 O ATOM 0 H SER A 46 -6.390 -6.578 2.939 1.00 0.00 H new ATOM 0 HA SER A 46 -4.935 -8.003 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.167 -5.228 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.512 -5.506 0.781 1.00 0.00 H new ATOM 0 HG SER A 46 -3.842 -6.033 -1.466 1.00 0.00 H new ATOM 707 N TYR A 47 -4.362 -7.425 3.853 1.00 0.00 N ATOM 708 CA TYR A 47 -3.482 -7.447 5.071 1.00 0.00 C ATOM 709 C TYR A 47 -4.194 -8.215 6.206 1.00 0.00 C ATOM 710 O TYR A 47 -5.410 -8.230 6.274 1.00 0.00 O ATOM 711 CB TYR A 47 -3.137 -6.001 5.514 1.00 0.00 C ATOM 712 CG TYR A 47 -4.299 -5.337 6.246 1.00 0.00 C ATOM 713 CD1 TYR A 47 -5.569 -5.293 5.673 1.00 0.00 C ATOM 714 CD2 TYR A 47 -4.108 -4.804 7.515 1.00 0.00 C ATOM 715 CE1 TYR A 47 -6.635 -4.729 6.358 1.00 0.00 C ATOM 716 CE2 TYR A 47 -5.170 -4.232 8.198 1.00 0.00 C ATOM 717 CZ TYR A 47 -6.438 -4.194 7.627 1.00 0.00 C ATOM 718 OH TYR A 47 -7.487 -3.630 8.319 1.00 0.00 O ATOM 0 H TYR A 47 -5.310 -7.764 4.016 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.548 -7.956 4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.262 -6.020 6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.872 -5.407 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.724 -5.702 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.129 -4.835 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.616 -4.705 5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.012 -3.813 9.181 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.912 -4.311 8.881 1.00 0.00 H new ATOM 728 N GLY A 48 -3.433 -8.865 7.061 1.00 0.00 N ATOM 729 CA GLY A 48 -4.000 -9.693 8.201 1.00 0.00 C ATOM 730 C GLY A 48 -4.790 -8.868 9.222 1.00 0.00 C ATOM 731 O GLY A 48 -4.334 -8.712 10.338 1.00 0.00 O ATOM 0 H GLY A 48 -2.414 -8.860 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.649 -10.466 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.182 -10.202 8.712 1.00 0.00 H new ATOM 735 N ARG A 49 -5.967 -8.353 8.862 1.00 0.00 N ATOM 736 CA ARG A 49 -6.780 -7.531 9.838 1.00 0.00 C ATOM 737 C ARG A 49 -8.162 -7.071 9.260 1.00 0.00 C ATOM 738 O ARG A 49 -8.641 -5.996 9.607 1.00 0.00 O ATOM 739 CB ARG A 49 -5.946 -6.280 10.162 1.00 0.00 C ATOM 740 CG ARG A 49 -5.448 -6.286 11.613 1.00 0.00 C ATOM 741 CD ARG A 49 -6.648 -6.262 12.542 1.00 0.00 C ATOM 742 NE ARG A 49 -6.192 -6.438 13.957 1.00 0.00 N ATOM 743 CZ ARG A 49 -6.097 -7.625 14.472 1.00 0.00 C ATOM 744 NH1 ARG A 49 -4.987 -8.295 14.367 1.00 0.00 N ATOM 745 NH2 ARG A 49 -7.117 -8.132 15.088 1.00 0.00 N ATOM 0 H ARG A 49 -6.390 -8.469 7.941 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.995 -8.145 10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.093 -6.227 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.547 -5.388 9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.843 -7.173 11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.811 -5.421 11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.183 -5.318 12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.345 -7.056 12.273 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.955 -5.621 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.189 -7.887 13.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.914 -9.228 14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.983 -7.599 15.164 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.054 -9.064 15.497 1.00 0.00 H new ATOM 759 N LYS A 50 -8.812 -7.839 8.394 1.00 0.00 N ATOM 760 CA LYS A 50 -10.143 -7.378 7.818 1.00 0.00 C ATOM 761 C LYS A 50 -10.890 -8.568 7.116 1.00 0.00 C ATOM 762 O LYS A 50 -10.544 -9.721 7.317 1.00 0.00 O ATOM 763 CB LYS A 50 -9.817 -6.232 6.815 1.00 0.00 C ATOM 764 CG LYS A 50 -10.879 -5.134 6.828 1.00 0.00 C ATOM 765 CD LYS A 50 -10.529 -4.037 7.844 1.00 0.00 C ATOM 766 CE LYS A 50 -9.950 -2.817 7.113 1.00 0.00 C ATOM 767 NZ LYS A 50 -11.054 -1.993 6.529 1.00 0.00 N ATOM 0 H LYS A 50 -8.488 -8.748 8.065 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.812 -7.021 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.847 -5.800 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.735 -6.644 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.967 -4.698 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.849 -5.565 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.419 -3.749 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.807 -4.416 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.363 -2.214 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.274 -3.144 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.986 -2.007 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.972 -2.385 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.973 -1.013 6.868 1.00 0.00 H new ATOM 781 N LYS A 51 -11.903 -8.272 6.295 1.00 0.00 N ATOM 782 CA LYS A 51 -12.713 -9.317 5.536 1.00 0.00 C ATOM 783 C LYS A 51 -13.731 -10.043 6.448 1.00 0.00 C ATOM 784 O LYS A 51 -14.913 -9.758 6.376 1.00 0.00 O ATOM 785 CB LYS A 51 -11.798 -10.351 4.827 1.00 0.00 C ATOM 786 CG LYS A 51 -12.421 -10.788 3.492 1.00 0.00 C ATOM 787 CD LYS A 51 -12.877 -12.251 3.586 1.00 0.00 C ATOM 788 CE LYS A 51 -14.401 -12.315 3.727 1.00 0.00 C ATOM 789 NZ LYS A 51 -14.820 -13.720 4.021 1.00 0.00 N ATOM 0 H LYS A 51 -12.209 -7.315 6.117 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.272 -8.774 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.814 -9.916 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.653 -11.219 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.269 -10.148 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.695 -10.675 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.562 -12.797 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.404 -12.734 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.730 -11.652 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.876 -11.968 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.801 -13.862 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.196 -14.381 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.755 -13.895 5.044 1.00 0.00 H new ATOM 803 N ARG A 52 -13.290 -10.994 7.271 1.00 0.00 N ATOM 804 CA ARG A 52 -14.218 -11.787 8.167 1.00 0.00 C ATOM 805 C ARG A 52 -15.273 -12.544 7.303 1.00 0.00 C ATOM 806 O ARG A 52 -15.011 -13.653 6.859 1.00 0.00 O ATOM 807 CB ARG A 52 -14.888 -10.860 9.209 1.00 0.00 C ATOM 808 CG ARG A 52 -14.124 -10.934 10.538 1.00 0.00 C ATOM 809 CD ARG A 52 -15.090 -10.685 11.701 1.00 0.00 C ATOM 810 NE ARG A 52 -14.356 -10.836 13.002 1.00 0.00 N ATOM 811 CZ ARG A 52 -14.678 -10.105 14.026 1.00 0.00 C ATOM 812 NH1 ARG A 52 -14.158 -8.923 14.162 1.00 0.00 N ATOM 813 NH2 ARG A 52 -15.515 -10.562 14.903 1.00 0.00 N ATOM 0 H ARG A 52 -12.307 -11.254 7.357 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.640 -12.529 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.899 -9.834 8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.926 -11.156 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.654 -11.912 10.645 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.324 -10.193 10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.517 -9.685 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.920 -11.390 11.656 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.600 -11.516 13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.500 -8.572 13.466 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.408 -8.345 14.965 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.918 -11.492 14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.771 -9.992 15.709 1.00 0.00 H new ATOM 827 N ARG A 53 -16.433 -11.955 7.033 1.00 0.00 N ATOM 828 CA ARG A 53 -17.477 -12.636 6.183 1.00 0.00 C ATOM 829 C ARG A 53 -17.554 -11.978 4.790 1.00 0.00 C ATOM 830 O ARG A 53 -17.563 -12.669 3.783 1.00 0.00 O ATOM 831 CB ARG A 53 -18.856 -12.539 6.866 1.00 0.00 C ATOM 832 CG ARG A 53 -19.578 -13.902 6.821 1.00 0.00 C ATOM 833 CD ARG A 53 -19.960 -14.284 5.376 1.00 0.00 C ATOM 834 NE ARG A 53 -21.023 -13.360 4.855 1.00 0.00 N ATOM 835 CZ ARG A 53 -21.231 -13.251 3.577 1.00 0.00 C ATOM 836 NH1 ARG A 53 -20.559 -12.382 2.885 1.00 0.00 N ATOM 837 NH2 ARG A 53 -22.108 -14.014 3.002 1.00 0.00 N ATOM 0 H ARG A 53 -16.697 -11.029 7.369 1.00 0.00 H new ATOM 0 HA ARG A 53 -17.196 -13.683 6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -18.734 -12.219 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -19.463 -11.783 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.934 -14.672 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -20.475 -13.862 7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.080 -14.234 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -20.318 -15.313 5.347 1.00 0.00 H new ATOM 0 HE ARG A 53 -21.585 -12.815 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.870 -11.787 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.720 -12.294 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -22.630 -14.695 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -22.275 -13.933 1.999 1.00 0.00 H new ATOM 851 N GLN A 54 -17.620 -10.659 4.723 1.00 0.00 N ATOM 852 CA GLN A 54 -17.716 -9.956 3.397 1.00 0.00 C ATOM 853 C GLN A 54 -16.320 -9.627 2.830 1.00 0.00 C ATOM 854 O GLN A 54 -15.393 -9.330 3.562 1.00 0.00 O ATOM 855 CB GLN A 54 -18.522 -8.654 3.565 1.00 0.00 C ATOM 856 CG GLN A 54 -19.911 -8.800 2.915 1.00 0.00 C ATOM 857 CD GLN A 54 -19.774 -9.093 1.413 1.00 0.00 C ATOM 858 OE1 GLN A 54 -20.063 -10.186 0.975 1.00 0.00 O ATOM 859 NE2 GLN A 54 -19.329 -8.173 0.610 1.00 0.00 N ATOM 0 H GLN A 54 -17.611 -10.041 5.534 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.218 -10.622 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.631 -8.419 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -17.984 -7.823 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.463 -9.605 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.486 -7.886 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.085 -7.252 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -19.224 -8.372 -0.385 1.00 0.00 H new ATOM 868 N ARG A 55 -16.189 -9.667 1.518 1.00 0.00 N ATOM 869 CA ARG A 55 -14.879 -9.346 0.848 1.00 0.00 C ATOM 870 C ARG A 55 -14.938 -7.922 0.233 1.00 0.00 C ATOM 871 O ARG A 55 -16.000 -7.320 0.143 1.00 0.00 O ATOM 872 CB ARG A 55 -14.590 -10.406 -0.250 1.00 0.00 C ATOM 873 CG ARG A 55 -15.476 -10.173 -1.494 1.00 0.00 C ATOM 874 CD ARG A 55 -15.540 -11.448 -2.345 1.00 0.00 C ATOM 875 NE ARG A 55 -15.152 -11.121 -3.755 1.00 0.00 N ATOM 876 CZ ARG A 55 -13.936 -11.309 -4.167 1.00 0.00 C ATOM 877 NH1 ARG A 55 -13.058 -10.361 -4.042 1.00 0.00 N ATOM 878 NH2 ARG A 55 -13.609 -12.444 -4.708 1.00 0.00 N ATOM 0 H ARG A 55 -16.943 -9.911 0.876 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.074 -9.370 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.539 -10.362 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.771 -11.405 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.480 -9.882 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.074 -9.351 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.870 -12.205 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.546 -11.866 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.851 -10.747 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.325 -9.471 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.101 -10.506 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.307 -13.182 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.655 -12.598 -5.034 1.00 0.00 H new ATOM 892 N ARG A 56 -13.808 -7.397 -0.202 1.00 0.00 N ATOM 893 CA ARG A 56 -13.781 -6.028 -0.831 1.00 0.00 C ATOM 894 C ARG A 56 -12.897 -6.047 -2.106 1.00 0.00 C ATOM 895 O ARG A 56 -12.464 -7.102 -2.555 1.00 0.00 O ATOM 896 CB ARG A 56 -13.245 -5.008 0.195 1.00 0.00 C ATOM 897 CG ARG A 56 -14.083 -3.722 0.124 1.00 0.00 C ATOM 898 CD ARG A 56 -13.468 -2.643 1.016 1.00 0.00 C ATOM 899 NE ARG A 56 -12.519 -1.804 0.212 1.00 0.00 N ATOM 900 CZ ARG A 56 -11.414 -1.379 0.741 1.00 0.00 C ATOM 901 NH1 ARG A 56 -11.418 -0.307 1.474 1.00 0.00 N ATOM 902 NH2 ARG A 56 -10.311 -2.021 0.527 1.00 0.00 N ATOM 0 H ARG A 56 -12.901 -7.860 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.790 -5.737 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.289 -5.429 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.198 -4.785 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.133 -3.368 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.106 -3.927 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.253 -2.017 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.942 -3.104 1.852 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.744 -1.567 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.289 0.199 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.550 0.029 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.313 -2.858 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.440 -1.690 0.941 1.00 0.00 H new ATOM 916 N ARG A 57 -12.642 -4.892 -2.698 1.00 0.00 N ATOM 917 CA ARG A 57 -11.806 -4.817 -3.937 1.00 0.00 C ATOM 918 C ARG A 57 -10.728 -3.700 -3.802 1.00 0.00 C ATOM 919 O ARG A 57 -10.856 -2.824 -2.951 1.00 0.00 O ATOM 920 CB ARG A 57 -12.727 -4.557 -5.152 1.00 0.00 C ATOM 921 CG ARG A 57 -13.368 -3.154 -5.079 1.00 0.00 C ATOM 922 CD ARG A 57 -13.064 -2.375 -6.367 1.00 0.00 C ATOM 923 NE ARG A 57 -13.943 -2.870 -7.481 1.00 0.00 N ATOM 924 CZ ARG A 57 -15.160 -2.436 -7.609 1.00 0.00 C ATOM 925 NH1 ARG A 57 -15.387 -1.344 -8.274 1.00 0.00 N ATOM 926 NH2 ARG A 57 -16.141 -3.102 -7.078 1.00 0.00 N ATOM 0 H ARG A 57 -12.986 -3.991 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.283 -5.762 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.152 -4.649 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.509 -5.315 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.446 -3.243 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.982 -2.612 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.230 -1.310 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.015 -2.497 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.579 -3.555 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.611 -0.831 -8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.341 -0.999 -8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.954 -3.962 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.099 -2.765 -7.176 1.00 0.00 H new ATOM 940 N PRO A 58 -9.693 -3.762 -4.642 1.00 0.00 N ATOM 941 CA PRO A 58 -8.591 -2.768 -4.631 1.00 0.00 C ATOM 942 C PRO A 58 -9.009 -1.451 -5.320 1.00 0.00 C ATOM 943 O PRO A 58 -9.861 -1.432 -6.197 1.00 0.00 O ATOM 944 CB PRO A 58 -7.470 -3.456 -5.412 1.00 0.00 C ATOM 945 CG PRO A 58 -8.144 -4.526 -6.297 1.00 0.00 C ATOM 946 CD PRO A 58 -9.519 -4.820 -5.671 1.00 0.00 C ATOM 0 HA PRO A 58 -8.297 -2.488 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.924 -2.736 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.748 -3.912 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.254 -4.168 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.537 -5.431 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.312 -4.781 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.548 -5.815 -5.226 1.00 0.00 H new ATOM 954 N SER A 59 -8.400 -0.360 -4.913 1.00 0.00 N ATOM 955 CA SER A 59 -8.710 0.984 -5.493 1.00 0.00 C ATOM 956 C SER A 59 -7.450 1.584 -6.178 1.00 0.00 C ATOM 957 O SER A 59 -6.369 1.007 -6.123 1.00 0.00 O ATOM 958 CB SER A 59 -9.214 1.885 -4.351 1.00 0.00 C ATOM 959 OG SER A 59 -8.113 2.399 -3.602 1.00 0.00 O ATOM 0 H SER A 59 -7.685 -0.348 -4.186 1.00 0.00 H new ATOM 0 HA SER A 59 -9.479 0.903 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.800 2.708 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.875 1.318 -3.696 1.00 0.00 H new ATOM 0 HG SER A 59 -8.398 3.194 -3.106 1.00 0.00 H new ATOM 965 N GLN A 60 -7.590 2.730 -6.826 1.00 0.00 N ATOM 966 CA GLN A 60 -6.421 3.385 -7.530 1.00 0.00 C ATOM 967 C GLN A 60 -5.521 4.156 -6.524 1.00 0.00 C ATOM 968 O GLN A 60 -5.646 4.000 -5.316 1.00 0.00 O ATOM 969 CB GLN A 60 -6.959 4.345 -8.614 1.00 0.00 C ATOM 970 CG GLN A 60 -6.327 4.021 -9.981 1.00 0.00 C ATOM 971 CD GLN A 60 -7.296 3.186 -10.825 1.00 0.00 C ATOM 972 OE1 GLN A 60 -7.000 2.067 -11.172 1.00 0.00 O ATOM 973 NE2 GLN A 60 -8.447 3.684 -11.178 1.00 0.00 N ATOM 0 H GLN A 60 -8.469 3.243 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.809 2.611 -7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.044 4.259 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.736 5.376 -8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.080 4.945 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.394 3.476 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.705 4.628 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.091 3.130 -11.743 1.00 0.00 H new ATOM 982 N GLY A 61 -4.589 4.967 -7.030 1.00 0.00 N ATOM 983 CA GLY A 61 -3.647 5.742 -6.141 1.00 0.00 C ATOM 984 C GLY A 61 -2.809 4.759 -5.313 1.00 0.00 C ATOM 985 O GLY A 61 -2.249 3.814 -5.847 1.00 0.00 O ATOM 0 H GLY A 61 -4.448 5.119 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.996 6.374 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.211 6.402 -5.482 1.00 0.00 H new ATOM 989 N GLY A 62 -2.760 4.944 -4.008 1.00 0.00 N ATOM 990 CA GLY A 62 -2.006 3.987 -3.119 1.00 0.00 C ATOM 991 C GLY A 62 -3.022 3.100 -2.375 1.00 0.00 C ATOM 992 O GLY A 62 -2.862 2.844 -1.195 1.00 0.00 O ATOM 0 H GLY A 62 -3.210 5.718 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.331 3.371 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.392 4.537 -2.406 1.00 0.00 H new ATOM 996 N GLN A 63 -4.083 2.668 -3.067 1.00 0.00 N ATOM 997 CA GLN A 63 -5.172 1.828 -2.451 1.00 0.00 C ATOM 998 C GLN A 63 -5.719 2.514 -1.173 1.00 0.00 C ATOM 999 O GLN A 63 -5.821 1.890 -0.126 1.00 0.00 O ATOM 1000 CB GLN A 63 -4.642 0.415 -2.137 1.00 0.00 C ATOM 1001 CG GLN A 63 -5.753 -0.606 -2.421 1.00 0.00 C ATOM 1002 CD GLN A 63 -5.447 -1.939 -1.740 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -4.575 -2.661 -2.165 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -6.123 -2.302 -0.690 1.00 0.00 N ATOM 0 H GLN A 63 -4.230 2.875 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.992 1.732 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.765 0.197 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.330 0.352 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.708 -0.220 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.851 -0.755 -3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.860 -1.699 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.916 -3.189 -0.232 1.00 0.00 H new ATOM 1013 N THR A 64 -6.045 3.806 -1.257 1.00 0.00 N ATOM 1014 CA THR A 64 -6.574 4.617 -0.075 1.00 0.00 C ATOM 1015 C THR A 64 -5.472 4.936 0.957 1.00 0.00 C ATOM 1016 O THR A 64 -5.472 6.017 1.521 1.00 0.00 O ATOM 1017 CB THR A 64 -7.801 3.950 0.635 1.00 0.00 C ATOM 1018 OG1 THR A 64 -7.384 3.074 1.687 1.00 0.00 O ATOM 1019 CG2 THR A 64 -8.675 3.173 -0.365 1.00 0.00 C ATOM 0 H THR A 64 -5.964 4.346 -2.119 1.00 0.00 H new ATOM 0 HA THR A 64 -6.920 5.554 -0.510 1.00 0.00 H new ATOM 0 HB THR A 64 -8.393 4.758 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.721 2.441 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.517 2.723 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.047 3.855 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.081 2.390 -0.836 1.00 0.00 H new ATOM 1027 N HIS A 65 -4.585 3.989 1.274 1.00 0.00 N ATOM 1028 CA HIS A 65 -3.528 4.193 2.322 1.00 0.00 C ATOM 1029 C HIS A 65 -4.208 4.309 3.739 1.00 0.00 C ATOM 1030 O HIS A 65 -3.544 4.458 4.748 1.00 0.00 O ATOM 1031 CB HIS A 65 -2.633 5.422 1.923 1.00 0.00 C ATOM 1032 CG HIS A 65 -2.025 6.132 3.109 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -2.590 6.931 4.056 1.00 0.00 N flip ATOM 1034 CD2 HIS A 65 -0.676 6.085 3.413 1.00 0.00 C flip ATOM 1035 CE1 HIS A 65 -1.622 7.389 4.937 1.00 0.00 C flip ATOM 1036 NE2 HIS A 65 -0.482 6.848 4.506 1.00 0.00 N flip ATOM 0 H HIS A 65 -4.561 3.069 0.833 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.856 3.337 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.834 5.081 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.235 6.131 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.082 5.537 2.873 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.761 8.041 5.786 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.425 6.994 4.949 1.00 0.00 H new ATOM 1044 N GLN A 66 -5.529 4.205 3.827 1.00 0.00 N ATOM 1045 CA GLN A 66 -6.217 4.299 5.126 1.00 0.00 C ATOM 1046 C GLN A 66 -7.425 3.338 5.137 1.00 0.00 C ATOM 1047 O GLN A 66 -8.579 3.737 5.029 1.00 0.00 O ATOM 1048 CB GLN A 66 -6.652 5.746 5.329 1.00 0.00 C ATOM 1049 CG GLN A 66 -7.364 5.838 6.673 1.00 0.00 C ATOM 1050 CD GLN A 66 -6.452 6.370 7.794 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -6.943 6.938 8.736 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -5.159 6.200 7.763 1.00 0.00 N ATOM 0 H GLN A 66 -6.147 4.057 3.029 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.555 4.010 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.788 6.410 5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.315 6.061 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.232 6.491 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.736 4.852 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.726 5.721 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.581 6.546 8.529 1.00 0.00 H new ATOM 1061 N ASP A 67 -7.135 2.078 5.253 1.00 0.00 N ATOM 1062 CA ASP A 67 -8.185 1.031 5.267 1.00 0.00 C ATOM 1063 C ASP A 67 -8.584 0.569 6.710 1.00 0.00 C ATOM 1064 O ASP A 67 -9.754 0.314 6.924 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.655 -0.167 4.462 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.754 -0.756 3.583 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -9.708 -1.295 4.122 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.619 -0.668 2.378 1.00 0.00 O ATOM 0 H ASP A 67 -6.184 1.720 5.341 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.091 1.448 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.816 0.148 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.279 -0.931 5.143 1.00 0.00 H new ATOM 1073 N PRO A 68 -7.640 0.440 7.669 1.00 0.00 N ATOM 1074 CA PRO A 68 -7.960 -0.037 9.050 1.00 0.00 C ATOM 1075 C PRO A 68 -8.682 1.017 9.945 1.00 0.00 C ATOM 1076 O PRO A 68 -8.463 1.064 11.138 1.00 0.00 O ATOM 1077 CB PRO A 68 -6.596 -0.400 9.627 1.00 0.00 C ATOM 1078 CG PRO A 68 -5.568 0.412 8.837 1.00 0.00 C ATOM 1079 CD PRO A 68 -6.206 0.744 7.491 1.00 0.00 C ATOM 0 HA PRO A 68 -8.667 -0.866 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.547 -0.162 10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.405 -1.469 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.301 1.323 9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.649 -0.158 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.053 1.791 7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.771 0.147 6.689 1.00 0.00 H new ATOM 1087 N ILE A 69 -9.551 1.812 9.383 1.00 0.00 N ATOM 1088 CA ILE A 69 -10.347 2.823 10.165 1.00 0.00 C ATOM 1089 C ILE A 69 -11.739 2.187 10.511 1.00 0.00 C ATOM 1090 O ILE A 69 -12.014 1.078 10.068 1.00 0.00 O ATOM 1091 CB ILE A 69 -10.537 4.093 9.295 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -11.527 3.818 8.162 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -9.218 4.548 8.682 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -12.737 4.683 8.370 1.00 0.00 C ATOM 0 H ILE A 69 -9.754 1.808 8.383 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.832 3.099 11.085 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.919 4.878 9.948 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.068 4.033 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.810 2.765 8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.386 5.440 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.507 4.776 9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.816 3.754 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.456 4.501 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.194 4.445 9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.441 5.732 8.360 1.00 0.00 H new ATOM 1106 N PRO A 70 -12.601 2.899 11.248 1.00 0.00 N ATOM 1107 CA PRO A 70 -13.962 2.386 11.580 1.00 0.00 C ATOM 1108 C PRO A 70 -14.897 2.577 10.339 1.00 0.00 C ATOM 1109 O PRO A 70 -14.448 2.436 9.209 1.00 0.00 O ATOM 1110 CB PRO A 70 -14.364 3.250 12.797 1.00 0.00 C ATOM 1111 CG PRO A 70 -13.521 4.543 12.724 1.00 0.00 C ATOM 1112 CD PRO A 70 -12.315 4.243 11.819 1.00 0.00 C ATOM 0 HA PRO A 70 -14.019 1.323 11.816 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.429 3.481 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.175 2.717 13.729 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -14.111 5.366 12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.191 4.845 13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.211 4.993 11.035 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.384 4.243 12.386 1.00 0.00 H new ATOM 1120 N LYS A 71 -16.174 2.901 10.507 1.00 0.00 N ATOM 1121 CA LYS A 71 -17.064 3.113 9.305 1.00 0.00 C ATOM 1122 C LYS A 71 -16.856 4.558 8.788 1.00 0.00 C ATOM 1123 O LYS A 71 -17.574 5.474 9.168 1.00 0.00 O ATOM 1124 CB LYS A 71 -18.543 2.878 9.686 1.00 0.00 C ATOM 1125 CG LYS A 71 -19.021 1.529 9.122 1.00 0.00 C ATOM 1126 CD LYS A 71 -19.012 0.465 10.228 1.00 0.00 C ATOM 1127 CE LYS A 71 -20.237 0.637 11.140 1.00 0.00 C ATOM 1128 NZ LYS A 71 -19.793 1.029 12.512 1.00 0.00 N ATOM 0 H LYS A 71 -16.629 3.025 11.411 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.805 2.403 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.654 2.889 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -19.161 3.686 9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.026 1.632 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.374 1.218 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.016 -0.531 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.098 0.548 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -20.902 1.398 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.804 -0.293 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.534 1.600 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.618 0.174 13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.917 1.586 12.448 1.00 0.00 H new ATOM 1142 N GLN A 72 -15.857 4.770 7.938 1.00 0.00 N ATOM 1143 CA GLN A 72 -15.580 6.157 7.414 1.00 0.00 C ATOM 1144 C GLN A 72 -14.894 6.143 6.021 1.00 0.00 C ATOM 1145 O GLN A 72 -13.708 5.882 5.914 1.00 0.00 O ATOM 1146 CB GLN A 72 -14.719 6.936 8.428 1.00 0.00 C ATOM 1147 CG GLN A 72 -15.449 8.217 8.855 1.00 0.00 C ATOM 1148 CD GLN A 72 -14.588 8.993 9.856 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -14.619 8.726 11.036 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -13.815 9.949 9.437 1.00 0.00 N ATOM 0 H GLN A 72 -15.229 4.045 7.590 1.00 0.00 H new ATOM 0 HA GLN A 72 -16.541 6.655 7.287 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.516 6.314 9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.755 7.186 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.657 8.837 7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.410 7.967 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.783 10.181 8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.240 10.468 10.101 1.00 0.00 H new ATOM 1159 N PRO A 73 -15.654 6.476 4.979 1.00 0.00 N ATOM 1160 CA PRO A 73 -15.120 6.548 3.590 1.00 0.00 C ATOM 1161 C PRO A 73 -14.394 7.904 3.311 1.00 0.00 C ATOM 1162 O PRO A 73 -14.302 8.326 2.173 1.00 0.00 O ATOM 1163 CB PRO A 73 -16.389 6.421 2.727 1.00 0.00 C ATOM 1164 CG PRO A 73 -17.577 6.873 3.611 1.00 0.00 C ATOM 1165 CD PRO A 73 -17.103 6.794 5.073 1.00 0.00 C ATOM 0 HA PRO A 73 -14.372 5.781 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.313 7.042 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.526 5.393 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.882 7.889 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.443 6.231 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.269 7.736 5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.643 6.024 5.624 1.00 0.00 H new ATOM 1173 N SER A 74 -13.884 8.591 4.335 1.00 0.00 N ATOM 1174 CA SER A 74 -13.187 9.908 4.125 1.00 0.00 C ATOM 1175 C SER A 74 -11.655 9.771 4.160 1.00 0.00 C ATOM 1176 O SER A 74 -10.979 10.494 3.456 1.00 0.00 O ATOM 1177 CB SER A 74 -13.597 10.903 5.210 1.00 0.00 C ATOM 1178 OG SER A 74 -13.284 10.378 6.504 1.00 0.00 O ATOM 0 H SER A 74 -13.927 8.285 5.307 1.00 0.00 H new ATOM 0 HA SER A 74 -13.486 10.262 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.080 11.851 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.665 11.108 5.141 1.00 0.00 H new ATOM 0 HG SER A 74 -12.657 10.979 6.958 1.00 0.00 H new ATOM 1184 N SER A 75 -11.128 8.886 5.012 1.00 0.00 N ATOM 1185 CA SER A 75 -9.633 8.674 5.201 1.00 0.00 C ATOM 1186 C SER A 75 -9.109 9.652 6.288 1.00 0.00 C ATOM 1187 O SER A 75 -9.729 10.669 6.557 1.00 0.00 O ATOM 1188 CB SER A 75 -8.831 8.809 3.864 1.00 0.00 C ATOM 1189 OG SER A 75 -8.410 10.167 3.615 1.00 0.00 O ATOM 0 H SER A 75 -11.699 8.282 5.604 1.00 0.00 H new ATOM 0 HA SER A 75 -9.474 7.649 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.956 8.160 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.449 8.464 3.035 1.00 0.00 H new ATOM 0 HG SER A 75 -9.198 10.742 3.522 1.00 0.00 H new ATOM 1195 N GLN A 76 -7.981 9.325 6.923 1.00 0.00 N ATOM 1196 CA GLN A 76 -7.379 10.199 8.015 1.00 0.00 C ATOM 1197 C GLN A 76 -7.329 11.707 7.574 1.00 0.00 C ATOM 1198 O GLN A 76 -7.207 12.003 6.391 1.00 0.00 O ATOM 1199 CB GLN A 76 -5.959 9.642 8.357 1.00 0.00 C ATOM 1200 CG GLN A 76 -4.903 10.741 8.673 1.00 0.00 C ATOM 1201 CD GLN A 76 -3.961 10.272 9.790 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -3.653 11.026 10.682 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -3.477 9.063 9.785 1.00 0.00 N ATOM 0 H GLN A 76 -7.448 8.478 6.726 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.004 10.166 8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.040 8.974 9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.604 9.043 7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.328 10.970 7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.405 11.661 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.729 8.416 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.846 8.763 10.528 1.00 0.00 H new ATOM 1212 N PRO A 77 -7.424 12.615 8.550 1.00 0.00 N ATOM 1213 CA PRO A 77 -7.396 14.064 8.307 1.00 0.00 C ATOM 1214 C PRO A 77 -5.966 14.522 7.968 1.00 0.00 C ATOM 1215 O PRO A 77 -5.104 14.642 8.823 1.00 0.00 O ATOM 1216 CB PRO A 77 -7.909 14.677 9.616 1.00 0.00 C ATOM 1217 CG PRO A 77 -7.669 13.616 10.703 1.00 0.00 C ATOM 1218 CD PRO A 77 -7.552 12.272 9.971 1.00 0.00 C ATOM 0 HA PRO A 77 -8.007 14.371 7.458 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.379 15.601 9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.967 14.927 9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.761 13.833 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.491 13.599 11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.686 11.709 10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.429 11.650 10.148 1.00 0.00 H new ATOM 1226 N ARG A 78 -5.771 14.791 6.698 1.00 0.00 N ATOM 1227 CA ARG A 78 -4.483 15.288 6.113 1.00 0.00 C ATOM 1228 C ARG A 78 -3.363 14.210 6.125 1.00 0.00 C ATOM 1229 O ARG A 78 -3.296 13.351 6.987 1.00 0.00 O ATOM 1230 CB ARG A 78 -4.131 16.548 6.884 1.00 0.00 C ATOM 1231 CG ARG A 78 -2.890 17.255 6.313 1.00 0.00 C ATOM 1232 CD ARG A 78 -1.623 16.565 6.819 1.00 0.00 C ATOM 1233 NE ARG A 78 -0.760 17.555 7.540 1.00 0.00 N ATOM 1234 CZ ARG A 78 0.482 17.713 7.204 1.00 0.00 C ATOM 1235 NH1 ARG A 78 0.793 18.566 6.278 1.00 0.00 N ATOM 1236 NH2 ARG A 78 1.406 17.017 7.797 1.00 0.00 N ATOM 0 H ARG A 78 -6.505 14.677 5.999 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.592 15.516 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.979 17.233 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.953 16.294 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.917 17.233 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.888 18.303 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.886 15.744 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.075 16.132 5.982 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.153 18.109 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.062 19.109 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.769 18.694 6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.153 16.349 8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.384 17.139 7.535 1.00 0.00 H new ATOM 1250 N GLY A 79 -2.493 14.267 5.125 1.00 0.00 N ATOM 1251 CA GLY A 79 -1.360 13.284 4.985 1.00 0.00 C ATOM 1252 C GLY A 79 -1.518 12.525 3.659 1.00 0.00 C ATOM 1253 O GLY A 79 -1.936 13.097 2.664 1.00 0.00 O ATOM 0 H GLY A 79 -2.527 14.971 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.403 13.806 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.362 12.585 5.821 1.00 0.00 H new ATOM 1257 N ASP A 80 -1.211 11.241 3.649 1.00 0.00 N ATOM 1258 CA ASP A 80 -1.359 10.419 2.410 1.00 0.00 C ATOM 1259 C ASP A 80 -2.693 9.562 2.348 1.00 0.00 C ATOM 1260 O ASP A 80 -2.826 8.792 1.408 1.00 0.00 O ATOM 1261 CB ASP A 80 -0.128 9.495 2.344 1.00 0.00 C ATOM 1262 CG ASP A 80 0.522 9.518 0.951 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -0.191 9.531 -0.042 1.00 0.00 O ATOM 1264 OD2 ASP A 80 1.736 9.474 0.901 1.00 0.00 O ATOM 0 H ASP A 80 -0.861 10.729 4.459 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.425 11.093 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.602 9.806 3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.424 8.475 2.592 1.00 0.00 H new ATOM 1269 N PRO A 81 -3.663 9.681 3.303 1.00 0.00 N ATOM 1270 CA PRO A 81 -4.920 8.882 3.238 1.00 0.00 C ATOM 1271 C PRO A 81 -5.869 9.458 2.180 1.00 0.00 C ATOM 1272 O PRO A 81 -5.884 10.655 1.928 1.00 0.00 O ATOM 1273 CB PRO A 81 -5.489 8.973 4.654 1.00 0.00 C ATOM 1274 CG PRO A 81 -4.890 10.238 5.278 1.00 0.00 C ATOM 1275 CD PRO A 81 -3.626 10.569 4.488 1.00 0.00 C ATOM 0 HA PRO A 81 -4.762 7.846 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.577 9.028 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.226 8.090 5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.600 11.064 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.656 10.076 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.610 11.618 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.731 10.392 5.085 1.00 0.00 H new ATOM 1283 N THR A 82 -6.602 8.595 1.509 1.00 0.00 N ATOM 1284 CA THR A 82 -7.483 9.018 0.396 1.00 0.00 C ATOM 1285 C THR A 82 -8.803 8.187 0.368 1.00 0.00 C ATOM 1286 O THR A 82 -8.834 7.082 -0.145 1.00 0.00 O ATOM 1287 CB THR A 82 -6.651 8.800 -0.894 1.00 0.00 C ATOM 1288 OG1 THR A 82 -6.173 7.466 -0.947 1.00 0.00 O ATOM 1289 CG2 THR A 82 -5.439 9.733 -0.907 1.00 0.00 C ATOM 0 H THR A 82 -6.618 7.593 1.700 1.00 0.00 H new ATOM 0 HA THR A 82 -7.792 10.058 0.503 1.00 0.00 H new ATOM 0 HB THR A 82 -7.295 9.007 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.775 7.296 -1.826 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.864 9.569 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.777 10.769 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.812 9.527 -0.040 1.00 0.00 H new ATOM 1297 N GLY A 83 -9.900 8.709 0.929 1.00 0.00 N ATOM 1298 CA GLY A 83 -11.206 7.950 0.935 1.00 0.00 C ATOM 1299 C GLY A 83 -12.035 8.342 -0.303 1.00 0.00 C ATOM 1300 O GLY A 83 -12.076 7.595 -1.260 1.00 0.00 O ATOM 0 H GLY A 83 -9.936 9.624 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.015 6.877 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.764 8.173 1.845 1.00 0.00 H new ATOM 1304 N PRO A 84 -12.634 9.531 -0.271 1.00 0.00 N ATOM 1305 CA PRO A 84 -13.426 10.086 -1.387 1.00 0.00 C ATOM 1306 C PRO A 84 -12.412 10.966 -2.131 1.00 0.00 C ATOM 1307 O PRO A 84 -12.509 12.185 -2.168 1.00 0.00 O ATOM 1308 CB PRO A 84 -14.492 10.920 -0.651 1.00 0.00 C ATOM 1309 CG PRO A 84 -13.887 11.267 0.740 1.00 0.00 C ATOM 1310 CD PRO A 84 -12.583 10.453 0.872 1.00 0.00 C ATOM 0 HA PRO A 84 -13.898 9.396 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.731 11.826 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.420 10.358 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.686 12.335 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.584 11.014 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.703 11.095 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -12.540 9.915 1.819 1.00 0.00 H new ATOM 1318 N LYS A 85 -11.349 10.331 -2.580 1.00 0.00 N ATOM 1319 CA LYS A 85 -10.202 11.066 -3.165 1.00 0.00 C ATOM 1320 C LYS A 85 -9.262 10.057 -3.879 1.00 0.00 C ATOM 1321 O LYS A 85 -8.933 10.263 -5.031 1.00 0.00 O ATOM 1322 CB LYS A 85 -9.568 11.803 -1.942 1.00 0.00 C ATOM 1323 CG LYS A 85 -8.067 11.623 -1.793 1.00 0.00 C ATOM 1324 CD LYS A 85 -7.537 12.587 -0.704 1.00 0.00 C ATOM 1325 CE LYS A 85 -8.398 12.484 0.577 1.00 0.00 C ATOM 1326 NZ LYS A 85 -7.552 12.699 1.789 1.00 0.00 N ATOM 0 H LYS A 85 -11.237 9.317 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.458 11.791 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.785 12.868 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.053 11.450 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.839 10.592 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.570 11.822 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.499 12.347 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.552 13.611 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.197 13.225 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.873 11.504 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.132 13.109 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.161 11.789 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.774 13.349 1.558 1.00 0.00 H new ATOM 1340 N GLU A 86 -8.876 8.962 -3.199 1.00 0.00 N ATOM 1341 CA GLU A 86 -7.984 7.887 -3.817 1.00 0.00 C ATOM 1342 C GLU A 86 -6.509 8.352 -3.986 1.00 0.00 C ATOM 1343 O GLU A 86 -5.632 7.504 -3.853 1.00 0.00 O ATOM 1344 CB GLU A 86 -8.564 7.453 -5.170 1.00 0.00 C ATOM 1345 CG GLU A 86 -8.316 5.958 -5.403 1.00 0.00 C ATOM 1346 CD GLU A 86 -9.436 5.389 -6.273 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -9.453 5.681 -7.458 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -10.251 4.656 -5.746 1.00 0.00 O ATOM 1349 OXT GLU A 86 -6.267 9.531 -4.209 1.00 0.00 O ATOM 0 H GLU A 86 -9.147 8.773 -2.234 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.968 7.042 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.634 7.659 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.107 8.033 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.352 5.809 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.277 5.431 -4.450 1.00 0.00 H new