USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=27 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 72 GLN : amide:sc= -2.29! C(o=-2.1!,f=-8.7!) USER MOD Set 1.2: A 74 SER OG : rot 112:sc= 0.216 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= -0.0115 USER MOD Set 2.2: A 65 HIS : no HE2:sc= -5.75! C(o=-6.7!,f=-11!) USER MOD Set 2.3: A 75 SER OG : rot 90:sc= 0.211 USER MOD Set 2.4: A 82 THR OG1 : rot 89:sc= -0.456 USER MOD Set 2.5: A 85 LYS NZ :NH3+ -150:sc= -0.699 (180deg=-1.94!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 166:sc= 0.0751 (180deg=-0.745) USER MOD Set 3.2: A 54 GLN : amide:sc=-0.00733 K(o=0.068,f=-3.6!) USER MOD Set 4.1: A 12 ASN : amide:sc= 0.79 K(o=4,f=-1.6!) USER MOD Set 4.2: A 50 LYS NZ :NH3+ -169:sc= 3.17 (180deg=2.42) USER MOD Set 5.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 46 SER OG : rot 82:sc= -1.2! USER MOD Set 6.1: A 35 GLN : amide:sc= 1.04 K(o=2.3,f=-11!) USER MOD Set 6.2: A 40 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -6.19! C(o=-6.2!,f=-13!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.046) USER MOD Single : A 16 SER OG : rot 180:sc= 0.151 USER MOD Single : A 17 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 53:sc= 0.0665 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00561 X(o=-0.0056,f=-0.094) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 2.42 (180deg=2.13) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -4.67 K(o=-4.7,f=-7.7!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= -0.434 (180deg=-0.461) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 63 GLN : amide:sc= -3.05 K(o=-3,f=-11!) USER MOD Single : A 66 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.7!) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.424 (180deg=-1.27) USER MOD Single : A 76 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -9.020 2.114 10.536 1.00 0.00 N ATOM 33 CA PRO A 3 -7.945 2.565 11.458 1.00 0.00 C ATOM 34 C PRO A 3 -6.552 2.317 10.835 1.00 0.00 C ATOM 35 O PRO A 3 -6.001 1.223 10.919 1.00 0.00 O ATOM 36 CB PRO A 3 -8.172 1.717 12.720 1.00 0.00 C ATOM 37 CG PRO A 3 -8.959 0.468 12.267 1.00 0.00 C ATOM 38 CD PRO A 3 -9.667 0.843 10.954 1.00 0.00 C ATOM 0 HA PRO A 3 -7.977 3.634 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.222 1.435 13.175 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.730 2.278 13.470 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.289 -0.378 12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.683 0.171 13.026 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.542 0.066 10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.739 0.973 11.103 1.00 0.00 H new ATOM 46 N VAL A 4 -5.995 3.329 10.200 1.00 0.00 N ATOM 47 CA VAL A 4 -4.647 3.196 9.544 1.00 0.00 C ATOM 48 C VAL A 4 -3.948 4.563 9.464 1.00 0.00 C ATOM 49 O VAL A 4 -3.025 4.827 10.199 1.00 0.00 O ATOM 50 CB VAL A 4 -4.758 2.633 8.088 1.00 0.00 C ATOM 51 CG1 VAL A 4 -4.283 1.199 8.041 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.194 2.712 7.538 1.00 0.00 C ATOM 0 H VAL A 4 -6.422 4.251 10.108 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.072 2.502 10.158 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.123 3.257 7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.366 0.821 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.243 1.150 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.897 0.590 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.218 2.309 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.860 2.131 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.521 3.752 7.523 1.00 0.00 H new ATOM 62 N ASP A 5 -4.384 5.382 8.525 1.00 0.00 N ATOM 63 CA ASP A 5 -3.792 6.727 8.238 1.00 0.00 C ATOM 64 C ASP A 5 -4.336 7.158 6.843 1.00 0.00 C ATOM 65 O ASP A 5 -4.929 6.341 6.138 1.00 0.00 O ATOM 66 CB ASP A 5 -2.213 6.592 8.050 1.00 0.00 C ATOM 67 CG ASP A 5 -1.418 7.577 8.924 1.00 0.00 C ATOM 68 OD1 ASP A 5 -1.837 7.866 10.031 1.00 0.00 O ATOM 69 OD2 ASP A 5 -0.386 8.028 8.452 1.00 0.00 O ATOM 0 H ASP A 5 -5.170 5.152 7.917 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.032 7.420 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.910 5.573 8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.962 6.759 7.003 1.00 0.00 H new ATOM 74 N PRO A 6 -3.904 8.324 6.383 1.00 0.00 N ATOM 75 CA PRO A 6 -4.064 8.750 4.976 1.00 0.00 C ATOM 76 C PRO A 6 -2.737 8.086 4.515 1.00 0.00 C ATOM 77 O PRO A 6 -1.672 8.683 4.523 1.00 0.00 O ATOM 78 CB PRO A 6 -4.046 10.287 5.079 1.00 0.00 C ATOM 79 CG PRO A 6 -3.320 10.625 6.403 1.00 0.00 C ATOM 80 CD PRO A 6 -3.228 9.324 7.212 1.00 0.00 C ATOM 0 HA PRO A 6 -4.917 8.503 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.527 10.728 4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.059 10.689 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.326 11.027 6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.867 11.386 6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.191 9.047 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.712 9.426 8.183 1.00 0.00 H new ATOM 88 N ASN A 7 -2.816 6.760 4.494 1.00 0.00 N ATOM 89 CA ASN A 7 -1.629 5.891 4.476 1.00 0.00 C ATOM 90 C ASN A 7 -0.920 5.577 3.186 1.00 0.00 C ATOM 91 O ASN A 7 -1.127 6.169 2.152 1.00 0.00 O ATOM 92 CB ASN A 7 -2.027 4.614 5.147 1.00 0.00 C ATOM 93 CG ASN A 7 -1.178 4.249 6.379 1.00 0.00 C ATOM 94 OD1 ASN A 7 -1.611 3.449 7.158 1.00 0.00 O ATOM 95 ND2 ASN A 7 -0.002 4.784 6.614 1.00 0.00 N ATOM 0 H ASN A 7 -3.700 6.251 4.489 1.00 0.00 H new ATOM 0 HA ASN A 7 -0.867 6.488 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.071 4.688 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.962 3.802 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.523 4.516 7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.386 5.468 5.964 1.00 0.00 H new ATOM 102 N ILE A 8 0.092 4.731 3.404 1.00 0.00 N ATOM 103 CA ILE A 8 1.126 4.424 2.404 1.00 0.00 C ATOM 104 C ILE A 8 2.142 3.344 2.890 1.00 0.00 C ATOM 105 O ILE A 8 2.591 2.529 2.104 1.00 0.00 O ATOM 106 CB ILE A 8 1.919 5.743 2.265 1.00 0.00 C ATOM 107 CG1 ILE A 8 1.830 6.586 3.629 1.00 0.00 C ATOM 108 CG2 ILE A 8 1.346 6.486 1.072 1.00 0.00 C ATOM 109 CD1 ILE A 8 0.950 7.821 3.525 1.00 0.00 C ATOM 0 H ILE A 8 0.220 4.235 4.286 1.00 0.00 H new ATOM 0 HA ILE A 8 0.660 4.050 1.493 1.00 0.00 H new ATOM 0 HB ILE A 8 2.980 5.563 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.446 5.942 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.834 6.890 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.880 7.427 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.457 5.876 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.289 6.690 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.937 8.340 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.345 8.486 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.065 7.524 3.260 1.00 0.00 H new ATOM 121 N GLU A 9 2.581 3.409 4.154 1.00 0.00 N ATOM 122 CA GLU A 9 3.650 2.468 4.657 1.00 0.00 C ATOM 123 C GLU A 9 3.048 1.202 5.391 1.00 0.00 C ATOM 124 O GLU A 9 2.202 0.581 4.776 1.00 0.00 O ATOM 125 CB GLU A 9 4.648 3.318 5.468 1.00 0.00 C ATOM 126 CG GLU A 9 5.412 4.245 4.505 1.00 0.00 C ATOM 127 CD GLU A 9 6.893 3.863 4.452 1.00 0.00 C ATOM 128 OE1 GLU A 9 7.202 2.831 3.883 1.00 0.00 O ATOM 129 OE2 GLU A 9 7.692 4.618 4.964 1.00 0.00 O ATOM 0 H GLU A 9 2.239 4.075 4.847 1.00 0.00 H new ATOM 0 HA GLU A 9 4.199 2.002 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.119 3.907 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.345 2.673 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.978 4.179 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.309 5.280 4.830 1.00 0.00 H new ATOM 136 N PRO A 10 3.460 0.783 6.637 1.00 0.00 N ATOM 137 CA PRO A 10 2.890 -0.459 7.280 1.00 0.00 C ATOM 138 C PRO A 10 1.434 -0.286 7.801 1.00 0.00 C ATOM 139 O PRO A 10 1.095 -0.752 8.880 1.00 0.00 O ATOM 140 CB PRO A 10 3.858 -0.743 8.444 1.00 0.00 C ATOM 141 CG PRO A 10 4.536 0.591 8.781 1.00 0.00 C ATOM 142 CD PRO A 10 4.477 1.441 7.506 1.00 0.00 C ATOM 0 HA PRO A 10 2.814 -1.272 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.321 -1.135 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.596 -1.493 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.024 1.090 9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.568 0.434 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.194 2.469 7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.449 1.479 7.014 1.00 0.00 H new ATOM 150 N TRP A 11 0.566 0.339 7.021 1.00 0.00 N ATOM 151 CA TRP A 11 -0.880 0.528 7.402 1.00 0.00 C ATOM 152 C TRP A 11 -1.034 1.096 8.844 1.00 0.00 C ATOM 153 O TRP A 11 -1.809 0.605 9.655 1.00 0.00 O ATOM 154 CB TRP A 11 -1.584 -0.801 7.227 1.00 0.00 C ATOM 155 CG TRP A 11 -2.015 -0.924 5.792 1.00 0.00 C ATOM 156 CD1 TRP A 11 -2.794 -1.899 5.356 1.00 0.00 C ATOM 157 CD2 TRP A 11 -1.732 -0.075 4.619 1.00 0.00 C ATOM 158 NE1 TRP A 11 -2.997 -1.760 3.998 1.00 0.00 N ATOM 159 CE2 TRP A 11 -2.375 -0.643 3.504 1.00 0.00 C ATOM 160 CE3 TRP A 11 -0.988 1.107 4.405 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -2.292 -0.067 2.246 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -0.911 1.674 3.147 1.00 0.00 C ATOM 163 CH2 TRP A 11 -1.556 1.093 2.076 1.00 0.00 C ATOM 0 H TRP A 11 0.810 0.735 6.113 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.341 1.272 6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.918 -1.621 7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.448 -0.863 7.889 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.209 -2.685 5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.543 -2.409 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.474 1.572 5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.797 -0.519 1.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.341 2.580 3.002 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.487 1.546 1.098 1.00 0.00 H new ATOM 174 N ASN A 12 -0.290 2.145 9.147 1.00 0.00 N ATOM 175 CA ASN A 12 -0.349 2.807 10.498 1.00 0.00 C ATOM 176 C ASN A 12 0.182 4.248 10.361 1.00 0.00 C ATOM 177 O ASN A 12 -0.399 5.176 10.878 1.00 0.00 O ATOM 178 CB ASN A 12 0.502 2.015 11.507 1.00 0.00 C ATOM 179 CG ASN A 12 -0.321 1.734 12.765 1.00 0.00 C ATOM 180 OD1 ASN A 12 -1.208 0.905 12.758 1.00 0.00 O ATOM 181 ND2 ASN A 12 -0.075 2.395 13.854 1.00 0.00 N ATOM 0 H ASN A 12 0.369 2.577 8.499 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.377 2.828 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.834 1.078 11.061 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.398 2.580 11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.625 2.216 14.694 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.668 3.093 13.870 1.00 0.00 H new ATOM 188 N HIS A 13 1.289 4.416 9.653 1.00 0.00 N ATOM 189 CA HIS A 13 1.898 5.772 9.422 1.00 0.00 C ATOM 190 C HIS A 13 3.172 5.629 8.552 1.00 0.00 C ATOM 191 O HIS A 13 3.725 4.542 8.458 1.00 0.00 O ATOM 192 CB HIS A 13 2.250 6.451 10.764 1.00 0.00 C ATOM 193 CG HIS A 13 2.859 5.488 11.745 1.00 0.00 C ATOM 194 ND1 HIS A 13 2.287 5.254 12.976 1.00 0.00 N ATOM 195 CD2 HIS A 13 3.993 4.718 11.700 1.00 0.00 C ATOM 196 CE1 HIS A 13 3.070 4.377 13.623 1.00 0.00 C ATOM 197 NE2 HIS A 13 4.124 4.015 12.891 1.00 0.00 N ATOM 0 H HIS A 13 1.803 3.649 9.218 1.00 0.00 H new ATOM 0 HA HIS A 13 1.171 6.396 8.903 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.945 7.271 10.583 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.349 6.886 11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.678 4.666 10.867 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.870 4.008 14.618 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.865 3.364 13.149 1.00 0.00 H new ATOM 205 N PRO A 14 3.613 6.725 7.937 1.00 0.00 N ATOM 206 CA PRO A 14 4.827 6.718 7.086 1.00 0.00 C ATOM 207 C PRO A 14 6.103 6.630 7.956 1.00 0.00 C ATOM 208 O PRO A 14 6.244 7.350 8.934 1.00 0.00 O ATOM 209 CB PRO A 14 4.738 8.040 6.313 1.00 0.00 C ATOM 210 CG PRO A 14 3.815 8.968 7.135 1.00 0.00 C ATOM 211 CD PRO A 14 2.959 8.057 8.033 1.00 0.00 C ATOM 0 HA PRO A 14 4.882 5.860 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.726 8.485 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.335 7.878 5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.401 9.663 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.184 9.567 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.940 8.417 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.925 8.018 7.690 1.00 0.00 H new ATOM 219 N GLY A 15 7.010 5.734 7.610 1.00 0.00 N ATOM 220 CA GLY A 15 8.273 5.553 8.405 1.00 0.00 C ATOM 221 C GLY A 15 9.469 6.202 7.694 1.00 0.00 C ATOM 222 O GLY A 15 9.826 7.330 7.989 1.00 0.00 O ATOM 0 H GLY A 15 6.925 5.116 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.150 5.994 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.466 4.490 8.551 1.00 0.00 H new ATOM 226 N SER A 16 10.101 5.489 6.775 1.00 0.00 N ATOM 227 CA SER A 16 11.303 6.048 6.043 1.00 0.00 C ATOM 228 C SER A 16 11.674 5.156 4.825 1.00 0.00 C ATOM 229 O SER A 16 10.868 4.365 4.358 1.00 0.00 O ATOM 230 CB SER A 16 12.488 6.127 7.025 1.00 0.00 C ATOM 231 OG SER A 16 13.469 7.025 6.509 1.00 0.00 O ATOM 0 H SER A 16 9.836 4.543 6.500 1.00 0.00 H new ATOM 0 HA SER A 16 11.064 7.043 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.144 6.468 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.923 5.138 7.168 1.00 0.00 H new ATOM 0 HG SER A 16 14.223 7.079 7.132 1.00 0.00 H new ATOM 237 N GLN A 17 12.888 5.287 4.302 1.00 0.00 N ATOM 238 CA GLN A 17 13.321 4.465 3.119 1.00 0.00 C ATOM 239 C GLN A 17 14.424 3.454 3.536 1.00 0.00 C ATOM 240 O GLN A 17 15.580 3.826 3.659 1.00 0.00 O ATOM 241 CB GLN A 17 13.843 5.408 2.015 1.00 0.00 C ATOM 242 CG GLN A 17 13.143 5.087 0.682 1.00 0.00 C ATOM 243 CD GLN A 17 11.863 5.922 0.543 1.00 0.00 C ATOM 244 OE1 GLN A 17 11.802 6.817 -0.266 1.00 0.00 O ATOM 245 NE2 GLN A 17 10.829 5.672 1.297 1.00 0.00 N ATOM 0 H GLN A 17 13.595 5.934 4.651 1.00 0.00 H new ATOM 0 HA GLN A 17 12.471 3.898 2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.658 6.446 2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.922 5.294 1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.815 5.297 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.900 4.025 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.869 4.919 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.980 6.230 1.200 1.00 0.00 H new ATOM 254 N PRO A 18 14.038 2.193 3.736 1.00 0.00 N ATOM 255 CA PRO A 18 14.991 1.115 4.127 1.00 0.00 C ATOM 256 C PRO A 18 15.824 0.601 2.920 1.00 0.00 C ATOM 257 O PRO A 18 16.933 0.122 3.100 1.00 0.00 O ATOM 258 CB PRO A 18 14.075 0.011 4.672 1.00 0.00 C ATOM 259 CG PRO A 18 12.678 0.248 4.052 1.00 0.00 C ATOM 260 CD PRO A 18 12.632 1.720 3.607 1.00 0.00 C ATOM 0 HA PRO A 18 15.730 1.461 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.455 -0.975 4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.027 0.050 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.514 -0.417 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.892 0.039 4.778 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.274 1.814 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.958 2.303 4.234 1.00 0.00 H new ATOM 268 N LYS A 19 15.296 0.681 1.703 1.00 0.00 N ATOM 269 CA LYS A 19 16.048 0.192 0.495 1.00 0.00 C ATOM 270 C LYS A 19 15.847 1.163 -0.688 1.00 0.00 C ATOM 271 O LYS A 19 14.728 1.545 -1.007 1.00 0.00 O ATOM 272 CB LYS A 19 15.536 -1.210 0.117 1.00 0.00 C ATOM 273 CG LYS A 19 16.721 -2.144 -0.163 1.00 0.00 C ATOM 274 CD LYS A 19 17.267 -2.701 1.161 1.00 0.00 C ATOM 275 CE LYS A 19 18.469 -3.609 0.885 1.00 0.00 C ATOM 276 NZ LYS A 19 18.891 -4.276 2.157 1.00 0.00 N ATOM 0 H LYS A 19 14.373 1.066 1.502 1.00 0.00 H new ATOM 0 HA LYS A 19 17.112 0.144 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.927 -1.614 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.896 -1.147 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.406 -2.962 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.506 -1.603 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.561 -1.882 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.488 -3.260 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.209 -4.358 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.294 -3.025 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.707 -4.893 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.155 -3.553 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.104 -4.846 2.528 1.00 0.00 H new ATOM 290 N THR A 20 16.928 1.556 -1.339 1.00 0.00 N ATOM 291 CA THR A 20 16.837 2.504 -2.511 1.00 0.00 C ATOM 292 C THR A 20 16.579 1.710 -3.812 1.00 0.00 C ATOM 293 O THR A 20 17.490 1.426 -4.575 1.00 0.00 O ATOM 294 CB THR A 20 18.144 3.324 -2.634 1.00 0.00 C ATOM 295 OG1 THR A 20 19.272 2.472 -2.477 1.00 0.00 O ATOM 296 CG2 THR A 20 18.184 4.402 -1.551 1.00 0.00 C ATOM 0 H THR A 20 17.876 1.258 -1.107 1.00 0.00 H new ATOM 0 HA THR A 20 16.007 3.192 -2.348 1.00 0.00 H new ATOM 0 HB THR A 20 18.172 3.789 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 19.197 1.713 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.106 4.976 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.329 5.068 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.145 3.932 -0.568 1.00 0.00 H new ATOM 304 N ALA A 21 15.331 1.352 -4.061 1.00 0.00 N ATOM 305 CA ALA A 21 14.975 0.580 -5.306 1.00 0.00 C ATOM 306 C ALA A 21 14.460 1.548 -6.395 1.00 0.00 C ATOM 307 O ALA A 21 15.076 1.684 -7.436 1.00 0.00 O ATOM 308 CB ALA A 21 13.898 -0.468 -4.968 1.00 0.00 C ATOM 0 H ALA A 21 14.541 1.563 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 21 15.861 0.070 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.639 -1.027 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.282 -1.153 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.010 0.034 -4.585 1.00 0.00 H new ATOM 314 N CYS A 22 13.336 2.225 -6.145 1.00 0.00 N ATOM 315 CA CYS A 22 12.744 3.208 -7.136 1.00 0.00 C ATOM 316 C CYS A 22 12.538 2.566 -8.545 1.00 0.00 C ATOM 317 O CYS A 22 12.762 3.200 -9.567 1.00 0.00 O ATOM 318 CB CYS A 22 13.670 4.440 -7.226 1.00 0.00 C ATOM 319 SG CYS A 22 12.675 5.928 -7.510 1.00 0.00 S ATOM 0 H CYS A 22 12.801 2.132 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 22 11.757 3.508 -6.783 1.00 0.00 H new ATOM 0 HB2 CYS A 22 14.244 4.544 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.388 4.310 -8.036 1.00 0.00 H new ATOM 0 HG CYS A 22 13.456 6.965 -7.584 1.00 0.00 H new ATOM 325 N ASN A 23 12.101 1.317 -8.601 1.00 0.00 N ATOM 326 CA ASN A 23 11.872 0.636 -9.925 1.00 0.00 C ATOM 327 C ASN A 23 10.783 -0.444 -9.786 1.00 0.00 C ATOM 328 O ASN A 23 10.924 -1.381 -9.009 1.00 0.00 O ATOM 329 CB ASN A 23 13.184 -0.007 -10.404 1.00 0.00 C ATOM 330 CG ASN A 23 13.185 -0.086 -11.932 1.00 0.00 C ATOM 331 OD1 ASN A 23 12.440 -0.848 -12.510 1.00 0.00 O ATOM 332 ND2 ASN A 23 13.981 0.677 -12.617 1.00 0.00 N ATOM 0 H ASN A 23 11.894 0.743 -7.784 1.00 0.00 H new ATOM 0 HA ASN A 23 11.541 1.376 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.036 0.579 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.290 -1.005 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.977 0.633 -13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.610 1.320 -12.136 1.00 0.00 H new ATOM 339 N ARG A 24 9.696 -0.314 -10.526 1.00 0.00 N ATOM 340 CA ARG A 24 8.574 -1.324 -10.446 1.00 0.00 C ATOM 341 C ARG A 24 7.600 -1.178 -11.659 1.00 0.00 C ATOM 342 O ARG A 24 6.396 -1.320 -11.513 1.00 0.00 O ATOM 343 CB ARG A 24 7.827 -1.116 -9.101 1.00 0.00 C ATOM 344 CG ARG A 24 7.211 0.301 -9.023 1.00 0.00 C ATOM 345 CD ARG A 24 5.800 0.230 -8.422 1.00 0.00 C ATOM 346 NE ARG A 24 4.893 -0.506 -9.362 1.00 0.00 N ATOM 347 CZ ARG A 24 3.622 -0.290 -9.361 1.00 0.00 C ATOM 348 NH1 ARG A 24 2.912 -0.635 -8.337 1.00 0.00 N ATOM 349 NH2 ARG A 24 3.066 0.249 -10.399 1.00 0.00 N ATOM 0 H ARG A 24 9.537 0.449 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 24 8.983 -2.334 -10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.041 -1.864 -8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.518 -1.262 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.842 0.947 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.169 0.743 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.829 -0.276 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.418 1.235 -8.243 1.00 0.00 H new ATOM 0 HE ARG A 24 5.287 -1.187 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.358 -1.077 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.906 -0.465 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.633 0.499 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.061 0.423 -10.406 1.00 0.00 H new ATOM 363 N CYS A 25 8.115 -0.895 -12.850 1.00 0.00 N ATOM 364 CA CYS A 25 7.223 -0.725 -14.056 1.00 0.00 C ATOM 365 C CYS A 25 7.389 -1.893 -15.052 1.00 0.00 C ATOM 366 O CYS A 25 6.479 -2.688 -15.215 1.00 0.00 O ATOM 367 CB CYS A 25 7.550 0.614 -14.741 1.00 0.00 C ATOM 368 SG CYS A 25 6.909 1.982 -13.742 1.00 0.00 S ATOM 0 H CYS A 25 9.111 -0.776 -13.034 1.00 0.00 H new ATOM 0 HA CYS A 25 6.185 -0.726 -13.724 1.00 0.00 H new ATOM 0 HB2 CYS A 25 8.628 0.716 -14.866 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.110 0.641 -15.738 1.00 0.00 H new ATOM 0 HG CYS A 25 7.189 3.111 -14.322 1.00 0.00 H new ATOM 374 N HIS A 26 8.524 -1.993 -15.733 1.00 0.00 N ATOM 375 CA HIS A 26 8.719 -3.102 -16.736 1.00 0.00 C ATOM 376 C HIS A 26 9.831 -4.062 -16.263 1.00 0.00 C ATOM 377 O HIS A 26 10.995 -3.907 -16.599 1.00 0.00 O ATOM 378 CB HIS A 26 9.068 -2.501 -18.115 1.00 0.00 C ATOM 379 CG HIS A 26 7.947 -1.617 -18.615 1.00 0.00 C ATOM 380 ND1 HIS A 26 6.605 -1.910 -18.408 1.00 0.00 N ATOM 381 CD2 HIS A 26 7.962 -0.441 -19.321 1.00 0.00 C ATOM 382 CE1 HIS A 26 5.881 -0.929 -18.976 1.00 0.00 C ATOM 383 NE2 HIS A 26 6.660 -0.008 -19.547 1.00 0.00 N ATOM 0 H HIS A 26 9.315 -1.357 -15.635 1.00 0.00 H new ATOM 0 HA HIS A 26 7.794 -3.671 -16.825 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.989 -1.922 -18.042 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.252 -3.303 -18.830 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.853 0.072 -19.652 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.802 -0.891 -18.971 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.364 0.833 -20.043 1.00 0.00 H new ATOM 391 N CYS A 27 9.457 -5.054 -15.481 1.00 0.00 N ATOM 392 CA CYS A 27 10.438 -6.071 -14.948 1.00 0.00 C ATOM 393 C CYS A 27 9.662 -7.214 -14.250 1.00 0.00 C ATOM 394 O CYS A 27 8.445 -7.157 -14.127 1.00 0.00 O ATOM 395 CB CYS A 27 11.386 -5.393 -13.938 1.00 0.00 C ATOM 396 SG CYS A 27 13.082 -5.963 -14.220 1.00 0.00 S ATOM 0 H CYS A 27 8.494 -5.207 -15.182 1.00 0.00 H new ATOM 0 HA CYS A 27 11.024 -6.480 -15.771 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.333 -4.310 -14.045 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.077 -5.628 -12.919 1.00 0.00 H new ATOM 0 HG CYS A 27 13.880 -5.389 -13.369 1.00 0.00 H new ATOM 402 N LYS A 28 10.346 -8.240 -13.770 1.00 0.00 N ATOM 403 CA LYS A 28 9.636 -9.373 -13.060 1.00 0.00 C ATOM 404 C LYS A 28 9.399 -9.005 -11.562 1.00 0.00 C ATOM 405 O LYS A 28 9.728 -9.763 -10.658 1.00 0.00 O ATOM 406 CB LYS A 28 10.452 -10.684 -13.206 1.00 0.00 C ATOM 407 CG LYS A 28 11.884 -10.524 -12.654 1.00 0.00 C ATOM 408 CD LYS A 28 12.378 -11.869 -12.092 1.00 0.00 C ATOM 409 CE LYS A 28 12.416 -11.827 -10.556 1.00 0.00 C ATOM 410 NZ LYS A 28 11.044 -12.070 -10.004 1.00 0.00 N ATOM 0 H LYS A 28 11.359 -8.342 -13.838 1.00 0.00 H new ATOM 0 HA LYS A 28 8.661 -9.534 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.945 -11.490 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.496 -10.971 -14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.552 -10.182 -13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.900 -9.765 -11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.720 -12.672 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.372 -12.090 -12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.107 -12.581 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.787 -10.859 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.118 -12.375 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.488 -11.192 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.572 -12.812 -10.560 1.00 0.00 H new ATOM 424 N LYS A 29 8.819 -7.838 -11.310 1.00 0.00 N ATOM 425 CA LYS A 29 8.535 -7.371 -9.908 1.00 0.00 C ATOM 426 C LYS A 29 7.633 -6.107 -9.976 1.00 0.00 C ATOM 427 O LYS A 29 8.097 -4.983 -9.803 1.00 0.00 O ATOM 428 CB LYS A 29 9.875 -7.057 -9.197 1.00 0.00 C ATOM 429 CG LYS A 29 9.624 -6.655 -7.732 1.00 0.00 C ATOM 430 CD LYS A 29 10.823 -5.856 -7.176 1.00 0.00 C ATOM 431 CE LYS A 29 11.084 -4.572 -7.993 1.00 0.00 C ATOM 432 NZ LYS A 29 9.852 -3.721 -8.052 1.00 0.00 N ATOM 0 H LYS A 29 8.528 -7.183 -12.035 1.00 0.00 H new ATOM 0 HA LYS A 29 8.016 -8.144 -9.342 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.527 -7.930 -9.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.391 -6.251 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.717 -6.055 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.462 -7.547 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.633 -5.593 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.715 -6.483 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.900 -4.008 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.399 -4.835 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.119 -2.738 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.221 -4.074 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.359 -3.760 -7.137 1.00 0.00 H new ATOM 446 N CYS A 30 6.347 -6.291 -10.238 1.00 0.00 N ATOM 447 CA CYS A 30 5.391 -5.121 -10.335 1.00 0.00 C ATOM 448 C CYS A 30 5.262 -4.409 -8.968 1.00 0.00 C ATOM 449 O CYS A 30 5.327 -3.204 -8.905 1.00 0.00 O ATOM 450 CB CYS A 30 4.012 -5.612 -10.804 1.00 0.00 C ATOM 451 SG CYS A 30 4.016 -5.777 -12.608 1.00 0.00 S ATOM 0 H CYS A 30 5.918 -7.204 -10.389 1.00 0.00 H new ATOM 0 HA CYS A 30 5.785 -4.408 -11.060 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.778 -6.570 -10.340 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.238 -4.910 -10.493 1.00 0.00 H new ATOM 0 HG CYS A 30 2.852 -6.194 -13.008 1.00 0.00 H new ATOM 457 N CYS A 31 5.103 -5.158 -7.881 1.00 0.00 N ATOM 458 CA CYS A 31 4.994 -4.561 -6.495 1.00 0.00 C ATOM 459 C CYS A 31 3.833 -3.527 -6.394 1.00 0.00 C ATOM 460 O CYS A 31 4.044 -2.322 -6.421 1.00 0.00 O ATOM 461 CB CYS A 31 6.344 -3.916 -6.115 1.00 0.00 C ATOM 462 SG CYS A 31 6.504 -3.850 -4.311 1.00 0.00 S ATOM 0 H CYS A 31 5.044 -6.176 -7.901 1.00 0.00 H new ATOM 0 HA CYS A 31 4.760 -5.360 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.166 -4.491 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.408 -2.911 -6.532 1.00 0.00 H new ATOM 0 HG CYS A 31 7.643 -3.308 -3.996 1.00 0.00 H new ATOM 468 N TYR A 32 2.612 -4.012 -6.251 1.00 0.00 N ATOM 469 CA TYR A 32 1.416 -3.104 -6.113 1.00 0.00 C ATOM 470 C TYR A 32 0.992 -3.091 -4.633 1.00 0.00 C ATOM 471 O TYR A 32 1.166 -2.098 -3.948 1.00 0.00 O ATOM 472 CB TYR A 32 0.266 -3.622 -7.001 1.00 0.00 C ATOM 473 CG TYR A 32 0.343 -2.983 -8.368 1.00 0.00 C ATOM 474 CD1 TYR A 32 1.405 -3.286 -9.230 1.00 0.00 C ATOM 475 CD2 TYR A 32 -0.646 -2.083 -8.769 1.00 0.00 C ATOM 476 CE1 TYR A 32 1.472 -2.685 -10.491 1.00 0.00 C ATOM 477 CE2 TYR A 32 -0.576 -1.482 -10.028 1.00 0.00 C ATOM 478 CZ TYR A 32 0.481 -1.782 -10.889 1.00 0.00 C ATOM 479 OH TYR A 32 0.551 -1.181 -12.126 1.00 0.00 O ATOM 0 H TYR A 32 2.393 -5.008 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 32 1.664 -2.092 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.326 -4.706 -7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.694 -3.394 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.171 -3.982 -8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.466 -1.851 -8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.289 -2.918 -11.158 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.341 -0.784 -10.336 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.217 -0.583 -12.243 1.00 0.00 H new ATOM 489 N HIS A 33 0.481 -4.205 -4.134 1.00 0.00 N ATOM 490 CA HIS A 33 0.085 -4.300 -2.692 1.00 0.00 C ATOM 491 C HIS A 33 0.269 -5.758 -2.183 1.00 0.00 C ATOM 492 O HIS A 33 0.990 -6.527 -2.799 1.00 0.00 O ATOM 493 CB HIS A 33 -1.351 -3.776 -2.502 1.00 0.00 C ATOM 494 CG HIS A 33 -1.505 -3.289 -1.082 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.722 -3.254 -0.447 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.585 -2.919 -0.133 1.00 0.00 C ATOM 497 CE1 HIS A 33 -2.516 -2.888 0.818 1.00 0.00 C ATOM 498 NE2 HIS A 33 -1.229 -2.669 1.064 1.00 0.00 N ATOM 0 H HIS A 33 0.323 -5.055 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 33 0.735 -3.668 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.554 -2.966 -3.203 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.072 -4.566 -2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.625 -3.470 -0.869 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.479 -2.836 -0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.300 -2.782 1.553 1.00 0.00 H new ATOM 506 N CYS A 34 -0.295 -6.116 -1.019 1.00 0.00 N ATOM 507 CA CYS A 34 -0.095 -7.477 -0.402 1.00 0.00 C ATOM 508 C CYS A 34 1.334 -7.586 0.216 1.00 0.00 C ATOM 509 O CYS A 34 1.635 -8.563 0.872 1.00 0.00 O ATOM 510 CB CYS A 34 -0.328 -8.595 -1.438 1.00 0.00 C ATOM 511 SG CYS A 34 -1.031 -10.048 -0.615 1.00 0.00 S ATOM 0 H CYS A 34 -0.895 -5.498 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.829 -7.602 0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.002 -8.246 -2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.612 -8.858 -1.922 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.229 -10.989 -1.490 1.00 0.00 H new ATOM 517 N GLN A 35 2.209 -6.584 0.028 1.00 0.00 N ATOM 518 CA GLN A 35 3.595 -6.629 0.608 1.00 0.00 C ATOM 519 C GLN A 35 4.031 -5.203 1.060 1.00 0.00 C ATOM 520 O GLN A 35 5.184 -4.824 0.912 1.00 0.00 O ATOM 521 CB GLN A 35 4.600 -7.168 -0.448 1.00 0.00 C ATOM 522 CG GLN A 35 4.042 -8.398 -1.194 1.00 0.00 C ATOM 523 CD GLN A 35 5.186 -9.338 -1.581 1.00 0.00 C ATOM 524 OE1 GLN A 35 5.479 -10.277 -0.872 1.00 0.00 O ATOM 525 NE2 GLN A 35 5.853 -9.129 -2.676 1.00 0.00 N ATOM 0 H GLN A 35 2.003 -5.741 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 35 3.590 -7.295 1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.830 -6.381 -1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.536 -7.434 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.326 -8.924 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.504 -8.079 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.612 -8.341 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.618 -9.753 -2.934 1.00 0.00 H new ATOM 534 N VAL A 36 3.121 -4.413 1.616 1.00 0.00 N ATOM 535 CA VAL A 36 3.473 -3.016 2.076 1.00 0.00 C ATOM 536 C VAL A 36 3.991 -3.025 3.564 1.00 0.00 C ATOM 537 O VAL A 36 3.668 -2.158 4.356 1.00 0.00 O ATOM 538 CB VAL A 36 2.220 -2.095 1.849 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.241 -2.125 3.021 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.682 -0.655 1.615 1.00 0.00 C ATOM 0 H VAL A 36 2.148 -4.679 1.770 1.00 0.00 H new ATOM 0 HA VAL A 36 4.299 -2.611 1.492 1.00 0.00 H new ATOM 0 HB VAL A 36 1.693 -2.481 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.397 -1.470 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.882 -3.143 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.745 -1.783 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.814 -0.015 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.237 -0.305 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.325 -0.617 0.735 1.00 0.00 H new ATOM 550 N CYS A 37 4.833 -4.006 3.924 1.00 0.00 N ATOM 551 CA CYS A 37 5.412 -4.117 5.324 1.00 0.00 C ATOM 552 C CYS A 37 4.273 -4.331 6.353 1.00 0.00 C ATOM 553 O CYS A 37 3.965 -3.466 7.155 1.00 0.00 O ATOM 554 CB CYS A 37 6.237 -2.853 5.654 1.00 0.00 C ATOM 555 SG CYS A 37 7.371 -3.208 7.019 1.00 0.00 S ATOM 0 H CYS A 37 5.142 -4.742 3.289 1.00 0.00 H new ATOM 0 HA CYS A 37 6.078 -4.978 5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.798 -2.533 4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.572 -2.033 5.924 1.00 0.00 H new ATOM 0 HG CYS A 37 8.066 -2.144 7.294 1.00 0.00 H new ATOM 561 N PHE A 38 3.633 -5.490 6.311 1.00 0.00 N ATOM 562 CA PHE A 38 2.484 -5.788 7.253 1.00 0.00 C ATOM 563 C PHE A 38 2.039 -7.286 7.123 1.00 0.00 C ATOM 564 O PHE A 38 2.875 -8.162 6.962 1.00 0.00 O ATOM 565 CB PHE A 38 1.320 -4.801 6.918 1.00 0.00 C ATOM 566 CG PHE A 38 0.767 -4.962 5.490 1.00 0.00 C ATOM 567 CD1 PHE A 38 1.256 -5.934 4.587 1.00 0.00 C ATOM 568 CD2 PHE A 38 -0.267 -4.122 5.086 1.00 0.00 C ATOM 569 CE1 PHE A 38 0.711 -6.052 3.313 1.00 0.00 C ATOM 570 CE2 PHE A 38 -0.806 -4.241 3.805 1.00 0.00 C ATOM 571 CZ PHE A 38 -0.317 -5.205 2.919 1.00 0.00 C ATOM 0 H PHE A 38 3.857 -6.245 5.663 1.00 0.00 H new ATOM 0 HA PHE A 38 2.789 -5.645 8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.510 -4.952 7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.673 -3.778 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.059 -6.590 4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.653 -3.377 5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.086 -6.801 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.606 -3.584 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.738 -5.291 1.928 1.00 0.00 H new ATOM 581 N ILE A 39 0.738 -7.574 7.141 1.00 0.00 N ATOM 582 CA ILE A 39 0.248 -8.983 6.970 1.00 0.00 C ATOM 583 C ILE A 39 0.107 -9.233 5.460 1.00 0.00 C ATOM 584 O ILE A 39 -0.778 -8.683 4.812 1.00 0.00 O ATOM 585 CB ILE A 39 -1.139 -9.211 7.625 1.00 0.00 C ATOM 586 CG1 ILE A 39 -1.205 -8.742 9.084 1.00 0.00 C ATOM 587 CG2 ILE A 39 -1.443 -10.706 7.616 1.00 0.00 C ATOM 588 CD1 ILE A 39 -1.321 -7.226 9.161 1.00 0.00 C ATOM 0 H ILE A 39 0.000 -6.881 7.268 1.00 0.00 H new ATOM 0 HA ILE A 39 0.957 -9.658 7.449 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.858 -8.630 7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.060 -9.202 9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.313 -9.070 9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.416 -10.882 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.455 -11.069 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.676 -11.237 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.366 -6.917 10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.453 -6.770 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.227 -6.904 8.648 1.00 0.00 H new ATOM 600 N LYS A 40 0.966 -10.047 4.900 1.00 0.00 N ATOM 601 CA LYS A 40 0.908 -10.334 3.424 1.00 0.00 C ATOM 602 C LYS A 40 -0.050 -11.526 3.129 1.00 0.00 C ATOM 603 O LYS A 40 0.301 -12.436 2.390 1.00 0.00 O ATOM 604 CB LYS A 40 2.335 -10.650 2.922 1.00 0.00 C ATOM 605 CG LYS A 40 3.307 -9.518 3.306 1.00 0.00 C ATOM 606 CD LYS A 40 4.506 -9.503 2.343 1.00 0.00 C ATOM 607 CE LYS A 40 5.393 -10.735 2.577 1.00 0.00 C ATOM 608 NZ LYS A 40 5.240 -11.686 1.434 1.00 0.00 N ATOM 0 H LYS A 40 1.712 -10.531 5.401 1.00 0.00 H new ATOM 0 HA LYS A 40 0.519 -9.460 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.677 -11.592 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.326 -10.777 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.791 -8.558 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.654 -9.658 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.153 -9.491 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.089 -8.594 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.436 -10.432 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.115 -11.224 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.125 -12.216 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.466 -12.350 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.023 -11.154 0.567 1.00 0.00 H new ATOM 622 N LYS A 41 -1.258 -11.531 3.697 1.00 0.00 N ATOM 623 CA LYS A 41 -2.217 -12.671 3.433 1.00 0.00 C ATOM 624 C LYS A 41 -3.348 -12.286 2.435 1.00 0.00 C ATOM 625 O LYS A 41 -3.923 -13.157 1.811 1.00 0.00 O ATOM 626 CB LYS A 41 -2.798 -13.209 4.766 1.00 0.00 C ATOM 627 CG LYS A 41 -3.908 -12.304 5.335 1.00 0.00 C ATOM 628 CD LYS A 41 -3.882 -12.370 6.873 1.00 0.00 C ATOM 629 CE LYS A 41 -4.970 -13.313 7.400 1.00 0.00 C ATOM 630 NZ LYS A 41 -5.520 -12.780 8.688 1.00 0.00 N ATOM 0 H LYS A 41 -1.610 -10.805 4.321 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.648 -13.468 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.197 -14.211 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.996 -13.298 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.762 -11.277 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.881 -12.625 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.904 -12.713 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.029 -11.372 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.769 -13.409 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.557 -14.310 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.233 -13.439 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.749 -12.678 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.960 -11.852 8.520 1.00 0.00 H new ATOM 644 N GLY A 42 -3.672 -11.003 2.284 1.00 0.00 N ATOM 645 CA GLY A 42 -4.768 -10.568 1.322 1.00 0.00 C ATOM 646 C GLY A 42 -6.168 -11.098 1.716 1.00 0.00 C ATOM 647 O GLY A 42 -7.062 -11.126 0.894 1.00 0.00 O ATOM 0 H GLY A 42 -3.223 -10.238 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.797 -9.479 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.523 -10.918 0.319 1.00 0.00 H new ATOM 651 N LEU A 43 -6.357 -11.499 2.958 1.00 0.00 N ATOM 652 CA LEU A 43 -7.691 -12.023 3.446 1.00 0.00 C ATOM 653 C LEU A 43 -8.826 -10.985 3.295 1.00 0.00 C ATOM 654 O LEU A 43 -9.963 -11.340 3.046 1.00 0.00 O ATOM 655 CB LEU A 43 -7.569 -12.484 4.929 1.00 0.00 C ATOM 656 CG LEU A 43 -7.449 -11.347 6.007 1.00 0.00 C ATOM 657 CD1 LEU A 43 -6.363 -10.291 5.710 1.00 0.00 C ATOM 658 CD2 LEU A 43 -8.787 -10.643 6.185 1.00 0.00 C ATOM 0 H LEU A 43 -5.629 -11.486 3.672 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.956 -12.874 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.440 -13.093 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.695 -13.130 5.015 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.146 -11.855 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.352 -9.546 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.389 -10.777 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.580 -9.803 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.688 -9.858 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.095 -10.202 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.537 -11.364 6.511 1.00 0.00 H new ATOM 670 N GLY A 44 -8.515 -9.719 3.456 1.00 0.00 N ATOM 671 CA GLY A 44 -9.521 -8.636 3.341 1.00 0.00 C ATOM 672 C GLY A 44 -8.994 -7.712 2.254 1.00 0.00 C ATOM 673 O GLY A 44 -8.795 -8.133 1.129 1.00 0.00 O ATOM 0 H GLY A 44 -7.573 -9.392 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.500 -9.035 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.637 -8.105 4.286 1.00 0.00 H new ATOM 677 N ILE A 45 -8.644 -6.496 2.607 1.00 0.00 N ATOM 678 CA ILE A 45 -7.977 -5.593 1.606 1.00 0.00 C ATOM 679 C ILE A 45 -6.490 -6.058 1.447 1.00 0.00 C ATOM 680 O ILE A 45 -5.841 -5.690 0.487 1.00 0.00 O ATOM 681 CB ILE A 45 -8.028 -4.104 2.046 1.00 0.00 C ATOM 682 CG1 ILE A 45 -7.383 -3.893 3.432 1.00 0.00 C ATOM 683 CG2 ILE A 45 -9.485 -3.623 2.098 1.00 0.00 C ATOM 684 CD1 ILE A 45 -5.853 -3.927 3.327 1.00 0.00 C ATOM 0 H ILE A 45 -8.788 -6.092 3.532 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.507 -5.662 0.656 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.464 -3.529 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.703 -2.937 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.723 -4.668 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.512 -2.578 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.936 -3.721 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.043 -4.228 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.417 -3.776 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.537 -4.893 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.517 -3.135 2.657 1.00 0.00 H new ATOM 696 N SER A 46 -5.980 -6.854 2.432 1.00 0.00 N ATOM 697 CA SER A 46 -4.570 -7.414 2.502 1.00 0.00 C ATOM 698 C SER A 46 -3.850 -6.769 3.693 1.00 0.00 C ATOM 699 O SER A 46 -3.027 -5.911 3.516 1.00 0.00 O ATOM 700 CB SER A 46 -3.723 -7.187 1.238 1.00 0.00 C ATOM 701 OG SER A 46 -4.296 -7.848 0.113 1.00 0.00 O ATOM 0 H SER A 46 -6.546 -7.140 3.231 1.00 0.00 H new ATOM 0 HA SER A 46 -4.676 -8.494 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.645 -6.119 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.710 -7.555 1.404 1.00 0.00 H new ATOM 0 HG SER A 46 -5.015 -7.296 -0.259 1.00 0.00 H new ATOM 707 N TYR A 47 -4.186 -7.161 4.912 1.00 0.00 N ATOM 708 CA TYR A 47 -3.531 -6.548 6.134 1.00 0.00 C ATOM 709 C TYR A 47 -4.000 -7.230 7.450 1.00 0.00 C ATOM 710 O TYR A 47 -4.116 -6.579 8.482 1.00 0.00 O ATOM 711 CB TYR A 47 -3.864 -5.031 6.171 1.00 0.00 C ATOM 712 CG TYR A 47 -5.287 -4.740 6.658 1.00 0.00 C ATOM 713 CD1 TYR A 47 -6.388 -5.444 6.144 1.00 0.00 C ATOM 714 CD2 TYR A 47 -5.495 -3.735 7.609 1.00 0.00 C ATOM 715 CE1 TYR A 47 -7.680 -5.142 6.580 1.00 0.00 C ATOM 716 CE2 TYR A 47 -6.793 -3.433 8.039 1.00 0.00 C ATOM 717 CZ TYR A 47 -7.884 -4.134 7.524 1.00 0.00 C ATOM 718 OH TYR A 47 -9.165 -3.841 7.953 1.00 0.00 O ATOM 0 H TYR A 47 -4.884 -7.877 5.115 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.454 -6.700 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.152 -4.525 6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.735 -4.612 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.235 -6.221 5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.653 -3.191 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.523 -5.690 6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.950 -2.655 8.772 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.132 -3.116 8.611 1.00 0.00 H new ATOM 728 N GLY A 48 -4.272 -8.524 7.437 1.00 0.00 N ATOM 729 CA GLY A 48 -4.747 -9.212 8.687 1.00 0.00 C ATOM 730 C GLY A 48 -6.232 -8.901 8.895 1.00 0.00 C ATOM 731 O GLY A 48 -7.050 -9.787 8.765 1.00 0.00 O ATOM 0 H GLY A 48 -4.185 -9.127 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.596 -10.288 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.168 -8.874 9.546 1.00 0.00 H new ATOM 735 N ARG A 49 -6.523 -7.632 9.196 1.00 0.00 N ATOM 736 CA ARG A 49 -7.903 -7.053 9.434 1.00 0.00 C ATOM 737 C ARG A 49 -7.938 -6.421 10.841 1.00 0.00 C ATOM 738 O ARG A 49 -8.552 -6.939 11.764 1.00 0.00 O ATOM 739 CB ARG A 49 -9.067 -8.055 9.265 1.00 0.00 C ATOM 740 CG ARG A 49 -9.440 -8.191 7.788 1.00 0.00 C ATOM 741 CD ARG A 49 -10.240 -6.972 7.337 1.00 0.00 C ATOM 742 NE ARG A 49 -11.671 -7.107 7.770 1.00 0.00 N ATOM 743 CZ ARG A 49 -12.016 -6.816 8.989 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.043 -5.584 9.372 1.00 0.00 N ATOM 745 NH2 ARG A 49 -12.313 -7.765 9.823 1.00 0.00 N ATOM 0 H ARG A 49 -5.791 -6.928 9.291 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.065 -6.306 8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.780 -9.027 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.932 -7.718 9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.538 -8.288 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.025 -9.098 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.807 -6.066 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.187 -6.873 6.253 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.375 -7.428 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.794 -4.841 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.313 -5.353 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.276 -8.739 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.584 -7.537 10.780 1.00 0.00 H new ATOM 759 N LYS A 50 -7.274 -5.282 11.004 1.00 0.00 N ATOM 760 CA LYS A 50 -7.235 -4.568 12.339 1.00 0.00 C ATOM 761 C LYS A 50 -8.533 -3.725 12.556 1.00 0.00 C ATOM 762 O LYS A 50 -8.485 -2.547 12.872 1.00 0.00 O ATOM 763 CB LYS A 50 -5.954 -3.683 12.408 1.00 0.00 C ATOM 764 CG LYS A 50 -6.017 -2.513 11.400 1.00 0.00 C ATOM 765 CD LYS A 50 -4.603 -2.141 10.915 1.00 0.00 C ATOM 766 CE LYS A 50 -3.838 -1.388 12.016 1.00 0.00 C ATOM 767 NZ LYS A 50 -3.638 0.035 11.607 1.00 0.00 N ATOM 0 H LYS A 50 -6.754 -4.815 10.261 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.195 -5.301 13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.837 -3.289 13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.076 -4.295 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.638 -2.792 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.487 -1.648 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.058 -3.043 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.670 -1.521 10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.393 -1.433 12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.874 -1.864 12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.967 0.492 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.259 0.068 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.548 0.537 11.640 1.00 0.00 H new ATOM 781 N LYS A 51 -9.692 -4.341 12.403 1.00 0.00 N ATOM 782 CA LYS A 51 -10.998 -3.621 12.602 1.00 0.00 C ATOM 783 C LYS A 51 -12.099 -4.655 12.912 1.00 0.00 C ATOM 784 O LYS A 51 -12.221 -5.657 12.218 1.00 0.00 O ATOM 785 CB LYS A 51 -11.348 -2.832 11.323 1.00 0.00 C ATOM 786 CG LYS A 51 -12.025 -1.498 11.686 1.00 0.00 C ATOM 787 CD LYS A 51 -13.539 -1.699 11.875 1.00 0.00 C ATOM 788 CE LYS A 51 -14.229 -1.863 10.512 1.00 0.00 C ATOM 789 NZ LYS A 51 -14.754 -3.256 10.388 1.00 0.00 N ATOM 0 H LYS A 51 -9.786 -5.323 12.146 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.918 -2.922 13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.443 -2.643 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.011 -3.424 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.588 -1.098 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.844 -0.765 10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.722 -2.579 12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.963 -0.846 12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.044 -1.145 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.524 -1.655 9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.417 -3.307 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.963 -3.912 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.247 -3.520 11.264 1.00 0.00 H new ATOM 803 N ARG A 52 -12.887 -4.416 13.949 1.00 0.00 N ATOM 804 CA ARG A 52 -13.993 -5.373 14.351 1.00 0.00 C ATOM 805 C ARG A 52 -14.885 -5.727 13.139 1.00 0.00 C ATOM 806 O ARG A 52 -15.584 -4.878 12.629 1.00 0.00 O ATOM 807 CB ARG A 52 -14.856 -4.732 15.452 1.00 0.00 C ATOM 808 CG ARG A 52 -14.084 -4.711 16.780 1.00 0.00 C ATOM 809 CD ARG A 52 -14.728 -3.697 17.734 1.00 0.00 C ATOM 810 NE ARG A 52 -14.261 -2.313 17.384 1.00 0.00 N ATOM 811 CZ ARG A 52 -14.119 -1.415 18.309 1.00 0.00 C ATOM 812 NH1 ARG A 52 -12.993 -1.319 18.948 1.00 0.00 N ATOM 813 NH2 ARG A 52 -15.099 -0.612 18.581 1.00 0.00 N ATOM 0 H ARG A 52 -12.811 -3.589 14.542 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.536 -6.289 14.724 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.130 -3.717 15.165 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.784 -5.292 15.570 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.089 -5.703 17.231 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.042 -4.447 16.602 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.814 -3.754 17.664 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.463 -3.932 18.765 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.054 -2.078 16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.223 -1.949 18.722 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.878 -0.614 19.676 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.978 -0.688 18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.992 0.096 19.308 1.00 0.00 H new ATOM 827 N ARG A 53 -14.826 -6.988 12.700 1.00 0.00 N ATOM 828 CA ARG A 53 -15.624 -7.535 11.517 1.00 0.00 C ATOM 829 C ARG A 53 -16.159 -6.421 10.559 1.00 0.00 C ATOM 830 O ARG A 53 -15.411 -5.960 9.718 1.00 0.00 O ATOM 831 CB ARG A 53 -16.772 -8.415 12.062 1.00 0.00 C ATOM 832 CG ARG A 53 -16.222 -9.770 12.541 1.00 0.00 C ATOM 833 CD ARG A 53 -16.933 -10.914 11.807 1.00 0.00 C ATOM 834 NE ARG A 53 -18.193 -11.278 12.541 1.00 0.00 N ATOM 835 CZ ARG A 53 -18.258 -12.368 13.245 1.00 0.00 C ATOM 836 NH1 ARG A 53 -18.551 -13.492 12.668 1.00 0.00 N ATOM 837 NH2 ARG A 53 -18.041 -12.322 14.523 1.00 0.00 N ATOM 0 H ARG A 53 -14.229 -7.691 13.136 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.952 -8.134 10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.271 -7.905 12.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.520 -8.572 11.285 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.149 -9.821 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.367 -9.871 13.617 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.169 -10.614 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.276 -11.781 11.740 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.005 -10.663 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.730 -13.519 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.603 -14.349 13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.820 -11.433 14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.091 -13.175 15.080 1.00 0.00 H new ATOM 851 N GLN A 54 -17.431 -6.000 10.713 1.00 0.00 N ATOM 852 CA GLN A 54 -18.100 -4.914 9.871 1.00 0.00 C ATOM 853 C GLN A 54 -17.459 -4.742 8.469 1.00 0.00 C ATOM 854 O GLN A 54 -16.613 -3.874 8.263 1.00 0.00 O ATOM 855 CB GLN A 54 -18.083 -3.549 10.614 1.00 0.00 C ATOM 856 CG GLN A 54 -18.419 -3.699 12.115 1.00 0.00 C ATOM 857 CD GLN A 54 -17.814 -2.526 12.903 1.00 0.00 C ATOM 858 OE1 GLN A 54 -16.630 -2.264 12.822 1.00 0.00 O ATOM 859 NE2 GLN A 54 -18.573 -1.804 13.670 1.00 0.00 N ATOM 0 H GLN A 54 -18.051 -6.389 11.423 1.00 0.00 H new ATOM 0 HA GLN A 54 -19.127 -5.246 9.722 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -17.100 -3.091 10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.801 -2.874 10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.500 -3.724 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -18.027 -4.643 12.492 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.568 -2.014 13.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -18.174 -1.027 14.196 1.00 0.00 H new ATOM 868 N ARG A 55 -17.866 -5.548 7.504 1.00 0.00 N ATOM 869 CA ARG A 55 -17.298 -5.424 6.117 1.00 0.00 C ATOM 870 C ARG A 55 -18.008 -4.255 5.392 1.00 0.00 C ATOM 871 O ARG A 55 -17.439 -3.182 5.277 1.00 0.00 O ATOM 872 CB ARG A 55 -17.479 -6.757 5.353 1.00 0.00 C ATOM 873 CG ARG A 55 -16.801 -6.674 3.976 1.00 0.00 C ATOM 874 CD ARG A 55 -17.021 -7.982 3.209 1.00 0.00 C ATOM 875 NE ARG A 55 -18.250 -7.865 2.354 1.00 0.00 N ATOM 876 CZ ARG A 55 -18.977 -8.911 2.107 1.00 0.00 C ATOM 877 NH1 ARG A 55 -19.919 -9.251 2.933 1.00 0.00 N ATOM 878 NH2 ARG A 55 -18.759 -9.604 1.032 1.00 0.00 N ATOM 0 H ARG A 55 -18.564 -6.282 7.619 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.230 -5.212 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.050 -7.576 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.540 -6.974 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.209 -5.837 3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.734 -6.488 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.153 -8.201 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.130 -8.811 3.908 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.514 -6.960 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -20.086 -8.697 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.493 -10.073 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.020 -9.326 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.327 -10.427 0.832 1.00 0.00 H new ATOM 892 N ARG A 56 -19.248 -4.454 4.937 1.00 0.00 N ATOM 893 CA ARG A 56 -20.050 -3.375 4.234 1.00 0.00 C ATOM 894 C ARG A 56 -19.472 -3.018 2.838 1.00 0.00 C ATOM 895 O ARG A 56 -20.170 -3.127 1.846 1.00 0.00 O ATOM 896 CB ARG A 56 -20.131 -2.116 5.120 1.00 0.00 C ATOM 897 CG ARG A 56 -21.442 -1.369 4.837 1.00 0.00 C ATOM 898 CD ARG A 56 -21.540 -0.131 5.735 1.00 0.00 C ATOM 899 NE ARG A 56 -22.087 -0.529 7.074 1.00 0.00 N ATOM 900 CZ ARG A 56 -23.338 -0.333 7.360 1.00 0.00 C ATOM 901 NH1 ARG A 56 -23.713 0.796 7.877 1.00 0.00 N ATOM 902 NH2 ARG A 56 -24.205 -1.272 7.127 1.00 0.00 N ATOM 0 H ARG A 56 -19.743 -5.341 5.029 1.00 0.00 H new ATOM 0 HA ARG A 56 -21.052 -3.771 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -20.080 -2.396 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -19.280 -1.465 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -21.483 -1.073 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -22.292 -2.027 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.557 0.325 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -22.186 0.616 5.274 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.471 -0.957 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -23.025 1.527 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -24.695 0.952 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -23.901 -2.157 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -25.189 -1.124 7.350 1.00 0.00 H new ATOM 916 N ARG A 57 -18.227 -2.587 2.758 1.00 0.00 N ATOM 917 CA ARG A 57 -17.612 -2.206 1.446 1.00 0.00 C ATOM 918 C ARG A 57 -16.174 -2.772 1.310 1.00 0.00 C ATOM 919 O ARG A 57 -15.531 -3.075 2.307 1.00 0.00 O ATOM 920 CB ARG A 57 -17.599 -0.660 1.319 1.00 0.00 C ATOM 921 CG ARG A 57 -16.489 -0.014 2.187 1.00 0.00 C ATOM 922 CD ARG A 57 -16.962 0.149 3.644 1.00 0.00 C ATOM 923 NE ARG A 57 -16.173 -0.761 4.552 1.00 0.00 N ATOM 924 CZ ARG A 57 -14.907 -0.565 4.769 1.00 0.00 C ATOM 925 NH1 ARG A 57 -14.536 0.303 5.655 1.00 0.00 N ATOM 926 NH2 ARG A 57 -14.025 -1.251 4.113 1.00 0.00 N ATOM 0 H ARG A 57 -17.607 -2.484 3.561 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.210 -2.636 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -17.450 -0.383 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.569 -0.264 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.592 -0.632 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -16.219 0.959 1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.840 1.185 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.024 -0.084 3.717 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.642 -1.545 5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.236 0.829 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.544 0.461 5.830 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.325 -1.944 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.031 -1.098 4.282 1.00 0.00 H new ATOM 940 N PRO A 58 -15.696 -2.866 0.070 1.00 0.00 N ATOM 941 CA PRO A 58 -14.324 -3.357 -0.223 1.00 0.00 C ATOM 942 C PRO A 58 -13.247 -2.285 0.093 1.00 0.00 C ATOM 943 O PRO A 58 -12.132 -2.633 0.431 1.00 0.00 O ATOM 944 CB PRO A 58 -14.372 -3.677 -1.722 1.00 0.00 C ATOM 945 CG PRO A 58 -15.534 -2.851 -2.318 1.00 0.00 C ATOM 946 CD PRO A 58 -16.469 -2.497 -1.151 1.00 0.00 C ATOM 0 HA PRO A 58 -14.048 -4.217 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.428 -3.419 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.532 -4.743 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -15.159 -1.949 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -16.065 -3.423 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.725 -1.437 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.406 -3.051 -1.211 1.00 0.00 H new ATOM 954 N SER A 59 -13.580 -0.994 -0.019 1.00 0.00 N ATOM 955 CA SER A 59 -12.605 0.134 0.263 1.00 0.00 C ATOM 956 C SER A 59 -11.504 0.176 -0.820 1.00 0.00 C ATOM 957 O SER A 59 -10.584 -0.628 -0.819 1.00 0.00 O ATOM 958 CB SER A 59 -11.980 -0.018 1.662 1.00 0.00 C ATOM 959 OG SER A 59 -12.504 0.991 2.524 1.00 0.00 O ATOM 0 H SER A 59 -14.508 -0.677 -0.300 1.00 0.00 H new ATOM 0 HA SER A 59 -13.155 1.075 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.199 -1.007 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.895 0.068 1.600 1.00 0.00 H new ATOM 0 HG SER A 59 -12.110 0.896 3.416 1.00 0.00 H new ATOM 965 N GLN A 60 -11.602 1.114 -1.746 1.00 0.00 N ATOM 966 CA GLN A 60 -10.577 1.229 -2.846 1.00 0.00 C ATOM 967 C GLN A 60 -10.157 2.705 -3.065 1.00 0.00 C ATOM 968 O GLN A 60 -10.822 3.618 -2.601 1.00 0.00 O ATOM 969 CB GLN A 60 -11.151 0.637 -4.152 1.00 0.00 C ATOM 970 CG GLN A 60 -12.349 1.468 -4.658 1.00 0.00 C ATOM 971 CD GLN A 60 -13.431 0.537 -5.215 1.00 0.00 C ATOM 972 OE1 GLN A 60 -13.605 0.439 -6.407 1.00 0.00 O ATOM 973 NE2 GLN A 60 -14.173 -0.155 -4.401 1.00 0.00 N ATOM 0 H GLN A 60 -12.350 1.806 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.689 0.669 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.374 0.611 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.465 -0.393 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.757 2.068 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.021 2.162 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.033 -0.079 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.895 -0.774 -4.770 1.00 0.00 H new ATOM 982 N GLY A 61 -9.061 2.923 -3.775 1.00 0.00 N ATOM 983 CA GLY A 61 -8.571 4.319 -4.052 1.00 0.00 C ATOM 984 C GLY A 61 -7.224 4.558 -3.364 1.00 0.00 C ATOM 985 O GLY A 61 -7.164 5.125 -2.285 1.00 0.00 O ATOM 0 H GLY A 61 -8.483 2.184 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.469 4.469 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.302 5.045 -3.697 1.00 0.00 H new ATOM 989 N GLY A 62 -6.140 4.123 -3.978 1.00 0.00 N ATOM 990 CA GLY A 62 -4.769 4.319 -3.381 1.00 0.00 C ATOM 991 C GLY A 62 -4.383 3.195 -2.408 1.00 0.00 C ATOM 992 O GLY A 62 -3.218 2.867 -2.323 1.00 0.00 O ATOM 0 H GLY A 62 -6.147 3.637 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.032 4.370 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.738 5.275 -2.857 1.00 0.00 H new ATOM 996 N GLN A 63 -5.322 2.584 -1.691 1.00 0.00 N ATOM 997 CA GLN A 63 -4.964 1.445 -0.751 1.00 0.00 C ATOM 998 C GLN A 63 -4.342 0.256 -1.534 1.00 0.00 C ATOM 999 O GLN A 63 -3.633 -0.560 -0.983 1.00 0.00 O ATOM 1000 CB GLN A 63 -6.223 1.033 0.074 1.00 0.00 C ATOM 1001 CG GLN A 63 -6.906 -0.275 -0.432 1.00 0.00 C ATOM 1002 CD GLN A 63 -7.454 -0.143 -1.873 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -7.423 0.908 -2.479 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -7.965 -1.186 -2.456 1.00 0.00 N ATOM 0 H GLN A 63 -6.313 2.823 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.202 1.777 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.935 0.902 1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.948 1.846 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.187 -1.093 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.723 -0.537 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.001 -2.079 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.330 -1.112 -3.405 1.00 0.00 H new ATOM 1013 N THR A 64 -4.591 0.214 -2.815 1.00 0.00 N ATOM 1014 CA THR A 64 -4.027 -0.842 -3.727 1.00 0.00 C ATOM 1015 C THR A 64 -2.590 -0.439 -4.200 1.00 0.00 C ATOM 1016 O THR A 64 -1.908 -1.235 -4.829 1.00 0.00 O ATOM 1017 CB THR A 64 -4.999 -1.078 -4.941 1.00 0.00 C ATOM 1018 OG1 THR A 64 -4.324 -1.720 -6.019 1.00 0.00 O ATOM 1019 CG2 THR A 64 -5.631 0.238 -5.452 1.00 0.00 C ATOM 0 H THR A 64 -5.185 0.893 -3.291 1.00 0.00 H new ATOM 0 HA THR A 64 -3.940 -1.783 -3.183 1.00 0.00 H new ATOM 0 HB THR A 64 -5.798 -1.721 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.949 -1.857 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.294 0.022 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.202 0.703 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.843 0.917 -5.778 1.00 0.00 H new ATOM 1027 N HIS A 65 -2.104 0.771 -3.879 1.00 0.00 N ATOM 1028 CA HIS A 65 -0.724 1.189 -4.286 1.00 0.00 C ATOM 1029 C HIS A 65 -0.161 2.062 -3.183 1.00 0.00 C ATOM 1030 O HIS A 65 0.642 1.588 -2.402 1.00 0.00 O ATOM 1031 CB HIS A 65 -0.691 1.985 -5.626 1.00 0.00 C ATOM 1032 CG HIS A 65 -1.840 1.640 -6.505 1.00 0.00 C ATOM 1033 ND1 HIS A 65 -1.712 0.815 -7.596 1.00 0.00 N ATOM 1034 CD2 HIS A 65 -3.141 2.003 -6.450 1.00 0.00 C ATOM 1035 CE1 HIS A 65 -2.921 0.701 -8.161 1.00 0.00 C ATOM 1036 NE2 HIS A 65 -3.831 1.407 -7.501 1.00 0.00 N ATOM 0 H HIS A 65 -2.621 1.474 -3.351 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.134 0.286 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.705 3.054 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.242 1.776 -6.149 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.852 0.370 -7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.577 2.654 -5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.129 0.110 -9.041 1.00 0.00 H new ATOM 1044 N GLN A 66 -0.564 3.338 -3.119 1.00 0.00 N ATOM 1045 CA GLN A 66 -0.014 4.263 -2.074 1.00 0.00 C ATOM 1046 C GLN A 66 -0.507 5.742 -2.262 1.00 0.00 C ATOM 1047 O GLN A 66 0.266 6.683 -2.138 1.00 0.00 O ATOM 1048 CB GLN A 66 1.513 4.226 -2.226 1.00 0.00 C ATOM 1049 CG GLN A 66 1.920 4.718 -3.649 1.00 0.00 C ATOM 1050 CD GLN A 66 3.124 3.937 -4.198 1.00 0.00 C ATOM 1051 OE1 GLN A 66 4.078 4.525 -4.651 1.00 0.00 O ATOM 1052 NE2 GLN A 66 3.120 2.635 -4.203 1.00 0.00 N ATOM 0 H GLN A 66 -1.246 3.760 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.352 3.939 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.977 4.856 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.878 3.212 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.074 4.607 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.162 5.780 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.321 2.126 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.915 2.124 -4.586 1.00 0.00 H new ATOM 1061 N ASP A 67 -1.758 5.947 -2.590 1.00 0.00 N ATOM 1062 CA ASP A 67 -2.287 7.342 -2.850 1.00 0.00 C ATOM 1063 C ASP A 67 -2.688 8.204 -1.608 1.00 0.00 C ATOM 1064 O ASP A 67 -2.587 9.414 -1.705 1.00 0.00 O ATOM 1065 CB ASP A 67 -3.525 7.211 -3.749 1.00 0.00 C ATOM 1066 CG ASP A 67 -3.824 8.540 -4.434 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -2.965 9.021 -5.139 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -4.904 9.050 -4.228 1.00 0.00 O ATOM 0 H ASP A 67 -2.451 5.205 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.449 7.877 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.359 6.437 -4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.384 6.899 -3.154 1.00 0.00 H new ATOM 1073 N PRO A 68 -3.205 7.624 -0.525 1.00 0.00 N ATOM 1074 CA PRO A 68 -3.716 8.427 0.618 1.00 0.00 C ATOM 1075 C PRO A 68 -2.730 9.341 1.411 1.00 0.00 C ATOM 1076 O PRO A 68 -3.204 9.950 2.328 1.00 0.00 O ATOM 1077 CB PRO A 68 -4.453 7.404 1.492 1.00 0.00 C ATOM 1078 CG PRO A 68 -3.915 6.019 1.102 1.00 0.00 C ATOM 1079 CD PRO A 68 -3.318 6.161 -0.308 1.00 0.00 C ATOM 0 HA PRO A 68 -4.349 9.221 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.279 7.603 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.529 7.461 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.158 5.683 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.713 5.276 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.345 5.674 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.959 5.698 -1.058 1.00 0.00 H new ATOM 1087 N ILE A 69 -1.424 9.487 1.074 1.00 0.00 N ATOM 1088 CA ILE A 69 -0.465 10.446 1.829 1.00 0.00 C ATOM 1089 C ILE A 69 -1.201 11.652 2.505 1.00 0.00 C ATOM 1090 O ILE A 69 -2.076 12.255 1.895 1.00 0.00 O ATOM 1091 CB ILE A 69 0.526 11.105 0.841 1.00 0.00 C ATOM 1092 CG1 ILE A 69 1.165 10.103 -0.135 1.00 0.00 C ATOM 1093 CG2 ILE A 69 1.654 11.847 1.600 1.00 0.00 C ATOM 1094 CD1 ILE A 69 2.268 9.317 0.572 1.00 0.00 C ATOM 0 H ILE A 69 -0.982 8.981 0.306 1.00 0.00 H new ATOM 0 HA ILE A 69 0.019 9.820 2.579 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.067 11.810 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.406 9.419 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.577 10.632 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.337 12.302 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.219 12.624 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.200 11.139 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.715 8.610 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.033 10.006 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.844 8.774 1.417 1.00 0.00 H new ATOM 1106 N PRO A 70 -0.783 12.027 3.715 1.00 0.00 N ATOM 1107 CA PRO A 70 -1.385 13.189 4.437 1.00 0.00 C ATOM 1108 C PRO A 70 -0.977 14.579 3.847 1.00 0.00 C ATOM 1109 O PRO A 70 -1.360 15.602 4.395 1.00 0.00 O ATOM 1110 CB PRO A 70 -0.872 13.016 5.877 1.00 0.00 C ATOM 1111 CG PRO A 70 0.387 12.118 5.802 1.00 0.00 C ATOM 1112 CD PRO A 70 0.319 11.359 4.461 1.00 0.00 C ATOM 0 HA PRO A 70 -2.472 13.190 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.631 13.982 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.635 12.559 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.294 12.720 5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.414 11.421 6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.263 11.424 3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.111 10.300 4.614 1.00 0.00 H new ATOM 1120 N LYS A 71 -0.220 14.626 2.746 1.00 0.00 N ATOM 1121 CA LYS A 71 0.211 15.931 2.113 1.00 0.00 C ATOM 1122 C LYS A 71 1.118 15.673 0.865 1.00 0.00 C ATOM 1123 O LYS A 71 2.180 16.265 0.728 1.00 0.00 O ATOM 1124 CB LYS A 71 0.967 16.808 3.148 1.00 0.00 C ATOM 1125 CG LYS A 71 2.105 16.017 3.834 1.00 0.00 C ATOM 1126 CD LYS A 71 1.771 15.776 5.317 1.00 0.00 C ATOM 1127 CE LYS A 71 2.128 17.011 6.158 1.00 0.00 C ATOM 1128 NZ LYS A 71 0.981 17.977 6.165 1.00 0.00 N ATOM 0 H LYS A 71 0.118 13.796 2.259 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.683 16.460 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.380 17.685 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.267 17.169 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.250 15.063 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.042 16.568 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.710 15.550 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.320 14.909 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.366 16.710 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.017 17.493 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.000 18.532 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.061 18.617 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.085 17.452 6.106 1.00 0.00 H new ATOM 1142 N GLN A 72 0.699 14.811 -0.054 1.00 0.00 N ATOM 1143 CA GLN A 72 1.529 14.543 -1.290 1.00 0.00 C ATOM 1144 C GLN A 72 0.869 15.185 -2.526 1.00 0.00 C ATOM 1145 O GLN A 72 -0.347 15.171 -2.633 1.00 0.00 O ATOM 1146 CB GLN A 72 1.650 13.037 -1.551 1.00 0.00 C ATOM 1147 CG GLN A 72 3.135 12.602 -1.476 1.00 0.00 C ATOM 1148 CD GLN A 72 3.724 12.344 -2.879 1.00 0.00 C ATOM 1149 OE1 GLN A 72 3.117 12.642 -3.889 1.00 0.00 O ATOM 1150 NE2 GLN A 72 4.903 11.807 -2.985 1.00 0.00 N ATOM 0 H GLN A 72 -0.175 14.287 -0.000 1.00 0.00 H new ATOM 0 HA GLN A 72 2.517 14.971 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.063 12.484 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.241 12.796 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.716 13.375 -0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.220 11.698 -0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.424 11.552 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.307 11.641 -3.907 1.00 0.00 H new ATOM 1159 N PRO A 73 1.679 15.666 -3.469 1.00 0.00 N ATOM 1160 CA PRO A 73 1.153 16.229 -4.742 1.00 0.00 C ATOM 1161 C PRO A 73 0.515 15.113 -5.625 1.00 0.00 C ATOM 1162 O PRO A 73 -0.234 15.408 -6.539 1.00 0.00 O ATOM 1163 CB PRO A 73 2.390 16.856 -5.403 1.00 0.00 C ATOM 1164 CG PRO A 73 3.615 16.166 -4.766 1.00 0.00 C ATOM 1165 CD PRO A 73 3.162 15.703 -3.372 1.00 0.00 C ATOM 0 HA PRO A 73 0.356 16.958 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.374 16.703 -6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.418 17.932 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.945 15.321 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.457 16.854 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.570 14.723 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.494 16.392 -2.595 1.00 0.00 H new ATOM 1173 N SER A 74 0.791 13.838 -5.337 1.00 0.00 N ATOM 1174 CA SER A 74 0.193 12.712 -6.121 1.00 0.00 C ATOM 1175 C SER A 74 0.014 11.465 -5.212 1.00 0.00 C ATOM 1176 O SER A 74 -1.082 11.180 -4.786 1.00 0.00 O ATOM 1177 CB SER A 74 1.078 12.385 -7.346 1.00 0.00 C ATOM 1178 OG SER A 74 2.411 12.070 -6.933 1.00 0.00 O ATOM 0 H SER A 74 1.412 13.545 -4.583 1.00 0.00 H new ATOM 0 HA SER A 74 -0.790 13.012 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.653 11.544 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.094 13.235 -8.028 1.00 0.00 H new ATOM 0 HG SER A 74 2.590 11.122 -7.102 1.00 0.00 H new ATOM 1184 N SER A 75 1.079 10.739 -4.915 1.00 0.00 N ATOM 1185 CA SER A 75 0.996 9.507 -4.046 1.00 0.00 C ATOM 1186 C SER A 75 2.415 9.133 -3.548 1.00 0.00 C ATOM 1187 O SER A 75 3.394 9.639 -4.064 1.00 0.00 O ATOM 1188 CB SER A 75 0.402 8.338 -4.872 1.00 0.00 C ATOM 1189 OG SER A 75 1.212 8.071 -6.021 1.00 0.00 O ATOM 0 H SER A 75 2.020 10.954 -5.245 1.00 0.00 H new ATOM 0 HA SER A 75 0.355 9.703 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.335 7.444 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.612 8.585 -5.185 1.00 0.00 H new ATOM 0 HG SER A 75 1.898 7.410 -5.791 1.00 0.00 H new ATOM 1195 N GLN A 76 2.519 8.259 -2.549 1.00 0.00 N ATOM 1196 CA GLN A 76 3.856 7.803 -1.967 1.00 0.00 C ATOM 1197 C GLN A 76 5.009 7.735 -3.016 1.00 0.00 C ATOM 1198 O GLN A 76 4.794 7.262 -4.122 1.00 0.00 O ATOM 1199 CB GLN A 76 3.667 6.387 -1.437 1.00 0.00 C ATOM 1200 CG GLN A 76 4.824 5.984 -0.523 1.00 0.00 C ATOM 1201 CD GLN A 76 4.600 4.563 -0.009 1.00 0.00 C ATOM 1202 OE1 GLN A 76 4.299 3.662 -0.764 1.00 0.00 O ATOM 1203 NE2 GLN A 76 4.752 4.317 1.247 1.00 0.00 N ATOM 0 H GLN A 76 1.710 7.830 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 76 4.137 8.531 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.727 6.323 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.598 5.689 -2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.767 6.040 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.897 6.677 0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.005 5.070 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.619 3.370 1.601 1.00 0.00 H new ATOM 1212 N PRO A 77 6.217 8.154 -2.628 1.00 0.00 N ATOM 1213 CA PRO A 77 7.400 8.087 -3.523 1.00 0.00 C ATOM 1214 C PRO A 77 7.981 6.636 -3.553 1.00 0.00 C ATOM 1215 O PRO A 77 9.132 6.404 -3.209 1.00 0.00 O ATOM 1216 CB PRO A 77 8.377 9.091 -2.887 1.00 0.00 C ATOM 1217 CG PRO A 77 7.971 9.222 -1.401 1.00 0.00 C ATOM 1218 CD PRO A 77 6.514 8.737 -1.293 1.00 0.00 C ATOM 0 HA PRO A 77 7.181 8.328 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.405 8.742 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.322 10.056 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.626 8.624 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.060 10.255 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.400 7.996 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.838 9.560 -1.060 1.00 0.00 H new ATOM 1226 N ARG A 78 7.179 5.661 -3.961 1.00 0.00 N ATOM 1227 CA ARG A 78 7.640 4.230 -4.022 1.00 0.00 C ATOM 1228 C ARG A 78 7.836 3.781 -5.489 1.00 0.00 C ATOM 1229 O ARG A 78 8.770 3.054 -5.791 1.00 0.00 O ATOM 1230 CB ARG A 78 6.593 3.329 -3.347 1.00 0.00 C ATOM 1231 CG ARG A 78 7.195 1.947 -3.029 1.00 0.00 C ATOM 1232 CD ARG A 78 7.764 1.929 -1.604 1.00 0.00 C ATOM 1233 NE ARG A 78 6.648 2.082 -0.609 1.00 0.00 N ATOM 1234 CZ ARG A 78 6.897 2.210 0.661 1.00 0.00 C ATOM 1235 NH1 ARG A 78 7.691 3.150 1.078 1.00 0.00 N ATOM 1236 NH2 ARG A 78 6.323 1.415 1.511 1.00 0.00 N ATOM 0 H ARG A 78 6.213 5.805 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 78 8.594 4.147 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.239 3.798 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.728 3.214 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.430 1.177 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.982 1.712 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.296 0.994 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.487 2.736 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 78 5.681 2.085 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.120 3.789 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.885 3.249 2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.680 0.694 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.514 1.511 2.508 1.00 0.00 H new ATOM 1250 N GLY A 79 6.958 4.196 -6.391 1.00 0.00 N ATOM 1251 CA GLY A 79 7.083 3.786 -7.836 1.00 0.00 C ATOM 1252 C GLY A 79 5.737 3.893 -8.582 1.00 0.00 C ATOM 1253 O GLY A 79 5.728 4.101 -9.782 1.00 0.00 O ATOM 0 H GLY A 79 6.162 4.800 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.823 4.416 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.449 2.761 -7.892 1.00 0.00 H new ATOM 1257 N ASP A 80 4.608 3.742 -7.898 1.00 0.00 N ATOM 1258 CA ASP A 80 3.282 3.830 -8.583 1.00 0.00 C ATOM 1259 C ASP A 80 2.729 5.282 -8.509 1.00 0.00 C ATOM 1260 O ASP A 80 2.468 5.774 -7.419 1.00 0.00 O ATOM 1261 CB ASP A 80 2.297 2.858 -7.893 1.00 0.00 C ATOM 1262 CG ASP A 80 1.290 2.265 -8.894 1.00 0.00 C ATOM 1263 OD1 ASP A 80 1.015 2.879 -9.905 1.00 0.00 O ATOM 1264 OD2 ASP A 80 0.812 1.186 -8.633 1.00 0.00 O ATOM 0 H ASP A 80 4.561 3.562 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 80 3.398 3.559 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.855 2.052 -7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.759 3.384 -7.104 1.00 0.00 H new ATOM 1269 N PRO A 81 2.542 5.928 -9.671 1.00 0.00 N ATOM 1270 CA PRO A 81 1.995 7.311 -9.741 1.00 0.00 C ATOM 1271 C PRO A 81 0.456 7.274 -9.539 1.00 0.00 C ATOM 1272 O PRO A 81 -0.325 7.487 -10.455 1.00 0.00 O ATOM 1273 CB PRO A 81 2.387 7.782 -11.150 1.00 0.00 C ATOM 1274 CG PRO A 81 2.601 6.504 -11.993 1.00 0.00 C ATOM 1275 CD PRO A 81 2.863 5.354 -11.002 1.00 0.00 C ATOM 0 HA PRO A 81 2.378 7.982 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.605 8.406 -11.582 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.295 8.384 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.724 6.294 -12.605 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.443 6.627 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.237 4.490 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.899 5.018 -11.050 1.00 0.00 H new ATOM 1283 N THR A 82 0.041 6.968 -8.332 1.00 0.00 N ATOM 1284 CA THR A 82 -1.408 6.851 -7.965 1.00 0.00 C ATOM 1285 C THR A 82 -2.131 8.205 -7.876 1.00 0.00 C ATOM 1286 O THR A 82 -3.343 8.228 -7.849 1.00 0.00 O ATOM 1287 CB THR A 82 -1.532 6.093 -6.621 1.00 0.00 C ATOM 1288 OG1 THR A 82 -0.484 5.130 -6.487 1.00 0.00 O ATOM 1289 CG2 THR A 82 -2.855 5.357 -6.575 1.00 0.00 C ATOM 0 H THR A 82 0.675 6.787 -7.554 1.00 0.00 H new ATOM 0 HA THR A 82 -1.898 6.299 -8.767 1.00 0.00 H new ATOM 0 HB THR A 82 -1.466 6.821 -5.812 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.294 5.550 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.942 4.823 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.673 6.072 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.904 4.645 -7.399 1.00 0.00 H new ATOM 1297 N GLY A 83 -1.407 9.302 -7.839 1.00 0.00 N ATOM 1298 CA GLY A 83 -2.024 10.691 -7.743 1.00 0.00 C ATOM 1299 C GLY A 83 -3.238 10.855 -8.680 1.00 0.00 C ATOM 1300 O GLY A 83 -4.347 11.008 -8.208 1.00 0.00 O ATOM 0 H GLY A 83 -0.388 9.304 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.333 10.879 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.271 11.439 -7.992 1.00 0.00 H new ATOM 1304 N PRO A 84 -3.005 10.797 -9.984 1.00 0.00 N ATOM 1305 CA PRO A 84 -4.074 10.911 -10.994 1.00 0.00 C ATOM 1306 C PRO A 84 -4.397 9.459 -11.408 1.00 0.00 C ATOM 1307 O PRO A 84 -4.262 9.087 -12.569 1.00 0.00 O ATOM 1308 CB PRO A 84 -3.357 11.666 -12.129 1.00 0.00 C ATOM 1309 CG PRO A 84 -1.835 11.368 -11.955 1.00 0.00 C ATOM 1310 CD PRO A 84 -1.676 10.632 -10.607 1.00 0.00 C ATOM 0 HA PRO A 84 -4.997 11.407 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.711 11.331 -13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.554 12.736 -12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.465 10.755 -12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -1.257 12.292 -11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.423 9.581 -10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.886 11.071 -9.997 1.00 0.00 H new ATOM 1318 N LYS A 85 -4.679 8.604 -10.436 1.00 0.00 N ATOM 1319 CA LYS A 85 -4.835 7.163 -10.749 1.00 0.00 C ATOM 1320 C LYS A 85 -5.694 6.388 -9.725 1.00 0.00 C ATOM 1321 O LYS A 85 -6.667 5.767 -10.111 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.408 6.611 -10.704 1.00 0.00 C ATOM 1323 CG LYS A 85 -3.079 5.758 -11.925 1.00 0.00 C ATOM 1324 CD LYS A 85 -2.665 4.353 -11.466 1.00 0.00 C ATOM 1325 CE LYS A 85 -1.508 4.459 -10.460 1.00 0.00 C ATOM 1326 NZ LYS A 85 -1.762 3.556 -9.290 1.00 0.00 N ATOM 0 H LYS A 85 -4.804 8.854 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.345 7.047 -11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.702 7.439 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.280 6.014 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.945 5.697 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.274 6.218 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.513 3.845 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.360 3.754 -12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.569 4.187 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.405 5.489 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.322 3.959 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.787 3.463 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.353 2.619 -9.480 1.00 0.00 H new ATOM 1340 N GLU A 86 -5.278 6.359 -8.449 1.00 0.00 N ATOM 1341 CA GLU A 86 -5.994 5.552 -7.371 1.00 0.00 C ATOM 1342 C GLU A 86 -5.754 4.028 -7.585 1.00 0.00 C ATOM 1343 O GLU A 86 -5.119 3.654 -8.571 1.00 0.00 O ATOM 1344 CB GLU A 86 -7.507 5.871 -7.341 1.00 0.00 C ATOM 1345 CG GLU A 86 -7.779 6.994 -6.326 1.00 0.00 C ATOM 1346 CD GLU A 86 -9.279 7.303 -6.277 1.00 0.00 C ATOM 1347 OE1 GLU A 86 -9.723 8.122 -7.066 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -9.959 6.719 -5.450 1.00 0.00 O ATOM 1349 OXT GLU A 86 -6.171 3.257 -6.728 1.00 0.00 O ATOM 0 H GLU A 86 -4.462 6.869 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.578 5.837 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.845 6.174 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.072 4.979 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.428 6.696 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.224 7.890 -6.604 1.00 0.00 H new