USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=22 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 65 HIS : no HD1:sc= -11.8! C(o=-13!,f=-9!) USER MOD Set 1.2: A 82 THR OG1 : rot -55:sc= -0.894! USER MOD Set 2.1: A 12 ASN : amide:sc= 0.468 K(o=1.6,f=-12!) USER MOD Set 2.2: A 47 TYR OH : rot 110:sc= -1.08 USER MOD Set 2.3: A 50 LYS NZ :NH3+ -170:sc= 2.17 (180deg=1.17) USER MOD Set 3.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -151:sc= 1.49 (180deg=0.834) USER MOD Set 4.1: A 31 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 37 CYS SG : rot 180:sc= -0.0299 USER MOD Set 5.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 30 CYS SG : rot 50:sc= -0.0925 USER MOD Single : A 7 ASN : amide:sc= -6.11 K(o=-6.1,f=-15!) USER MOD Single : A 13 HIS : no HD1:sc= -4.39 K(o=-4.4,f=-3.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0703 USER MOD Single : A 17 GLN : amide:sc= -0.894 K(o=-0.89,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= 2.13 (180deg=1.12) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00116 USER MOD Single : A 22 CYS SG : rot -31:sc= 0.421 USER MOD Single : A 23 ASN : amide:sc=-0.00724 X(o=-0.0072,f=-0.096) USER MOD Single : A 25 CYS SG : rot 22:sc= 0.246 USER MOD Single : A 26 HIS : no HE2:sc= 0.931 K(o=0.93,f=-4.1!) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -7.45! C(o=-7.4!,f=-9.1!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 78:sc= 0.232 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.193 K(o=-0.19,f=-3.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.599 K(o=0.6,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.517 K(o=0.52,f=-7.3!) USER MOD Single : A 64 THR OG1 : rot -24:sc= 0.806 USER MOD Single : A 66 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.23) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -52:sc= 0.985 USER MOD Single : A 76 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 1.59 (180deg=0.693) USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A 3 -14.358 2.480 10.074 1.00 0.00 N ATOM 33 CA PRO A 3 -13.953 3.609 9.200 1.00 0.00 C ATOM 34 C PRO A 3 -12.427 3.580 8.949 1.00 0.00 C ATOM 35 O PRO A 3 -11.651 4.210 9.658 1.00 0.00 O ATOM 36 CB PRO A 3 -14.379 4.852 9.992 1.00 0.00 C ATOM 37 CG PRO A 3 -14.462 4.418 11.474 1.00 0.00 C ATOM 38 CD PRO A 3 -14.587 2.882 11.484 1.00 0.00 C ATOM 0 HA PRO A 3 -14.410 3.577 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.659 5.660 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.342 5.225 9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.574 4.737 12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.320 4.879 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.853 2.429 12.150 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.571 2.566 11.832 1.00 0.00 H new ATOM 46 N VAL A 4 -12.003 2.838 7.947 1.00 0.00 N ATOM 47 CA VAL A 4 -10.535 2.733 7.623 1.00 0.00 C ATOM 48 C VAL A 4 -10.222 3.071 6.167 1.00 0.00 C ATOM 49 O VAL A 4 -9.049 3.053 5.824 1.00 0.00 O ATOM 50 CB VAL A 4 -9.971 1.304 7.848 1.00 0.00 C ATOM 51 CG1 VAL A 4 -9.265 1.235 9.193 1.00 0.00 C ATOM 52 CG2 VAL A 4 -11.086 0.255 7.828 1.00 0.00 C ATOM 0 H VAL A 4 -12.614 2.297 7.335 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.072 3.451 8.300 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.272 1.093 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.871 0.230 9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.445 1.953 9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.972 1.472 9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.658 -0.734 7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.804 0.472 8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.591 0.279 6.863 1.00 0.00 H new ATOM 62 N ASP A 5 -11.221 3.305 5.291 1.00 0.00 N ATOM 63 CA ASP A 5 -10.920 3.564 3.831 1.00 0.00 C ATOM 64 C ASP A 5 -10.401 2.224 3.226 1.00 0.00 C ATOM 65 O ASP A 5 -9.888 1.390 3.966 1.00 0.00 O ATOM 66 CB ASP A 5 -9.804 4.651 3.755 1.00 0.00 C ATOM 67 CG ASP A 5 -9.632 5.205 2.355 1.00 0.00 C ATOM 68 OD1 ASP A 5 -10.484 5.956 1.921 1.00 0.00 O ATOM 69 OD2 ASP A 5 -8.641 4.868 1.743 1.00 0.00 O ATOM 0 H ASP A 5 -12.211 3.324 5.536 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.798 3.909 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.047 5.465 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.860 4.223 4.092 1.00 0.00 H new ATOM 74 N PRO A 6 -10.437 2.026 1.911 1.00 0.00 N ATOM 75 CA PRO A 6 -9.833 0.811 1.353 1.00 0.00 C ATOM 76 C PRO A 6 -8.285 1.002 1.373 1.00 0.00 C ATOM 77 O PRO A 6 -7.546 0.093 1.048 1.00 0.00 O ATOM 78 CB PRO A 6 -10.417 0.709 -0.057 1.00 0.00 C ATOM 79 CG PRO A 6 -10.891 2.128 -0.432 1.00 0.00 C ATOM 80 CD PRO A 6 -11.026 2.920 0.882 1.00 0.00 C ATOM 0 HA PRO A 6 -10.040 -0.107 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.668 0.350 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.246 0.002 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.177 2.609 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.845 2.089 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.495 3.871 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.068 3.149 1.103 1.00 0.00 H new ATOM 88 N ASN A 7 -7.801 2.200 1.767 1.00 0.00 N ATOM 89 CA ASN A 7 -6.373 2.491 1.825 1.00 0.00 C ATOM 90 C ASN A 7 -6.007 3.392 3.026 1.00 0.00 C ATOM 91 O ASN A 7 -6.453 3.152 4.130 1.00 0.00 O ATOM 92 CB ASN A 7 -6.009 3.226 0.543 1.00 0.00 C ATOM 93 CG ASN A 7 -4.538 2.970 0.160 1.00 0.00 C ATOM 94 OD1 ASN A 7 -4.186 3.046 -0.989 1.00 0.00 O ATOM 95 ND2 ASN A 7 -3.651 2.693 1.104 1.00 0.00 N ATOM 0 H ASN A 7 -8.394 2.980 2.050 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.829 1.553 1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.662 2.899 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.174 4.296 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.673 2.545 0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.946 2.628 2.078 1.00 0.00 H new ATOM 102 N ILE A 8 -5.167 4.436 2.776 1.00 0.00 N ATOM 103 CA ILE A 8 -4.712 5.376 3.769 1.00 0.00 C ATOM 104 C ILE A 8 -3.748 4.638 4.696 1.00 0.00 C ATOM 105 O ILE A 8 -4.088 3.633 5.292 1.00 0.00 O ATOM 106 CB ILE A 8 -5.953 6.001 4.360 1.00 0.00 C ATOM 107 CG1 ILE A 8 -6.707 6.655 3.162 1.00 0.00 C ATOM 108 CG2 ILE A 8 -5.534 7.006 5.359 1.00 0.00 C ATOM 109 CD1 ILE A 8 -6.199 8.078 2.866 1.00 0.00 C ATOM 0 H ILE A 8 -4.794 4.627 1.846 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.121 6.218 3.408 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.602 5.285 4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.584 6.035 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.774 6.690 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.416 7.471 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.951 6.520 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.925 7.769 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.753 8.494 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.346 8.707 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.138 8.042 2.620 1.00 0.00 H new ATOM 121 N GLU A 9 -2.485 5.067 4.688 1.00 0.00 N ATOM 122 CA GLU A 9 -1.404 4.341 5.452 1.00 0.00 C ATOM 123 C GLU A 9 -1.194 2.980 4.689 1.00 0.00 C ATOM 124 O GLU A 9 -1.403 2.972 3.479 1.00 0.00 O ATOM 125 CB GLU A 9 -1.862 4.162 6.909 1.00 0.00 C ATOM 126 CG GLU A 9 -2.234 5.528 7.534 1.00 0.00 C ATOM 127 CD GLU A 9 -1.016 6.192 8.202 1.00 0.00 C ATOM 128 OE1 GLU A 9 0.079 6.132 7.653 1.00 0.00 O ATOM 129 OE2 GLU A 9 -1.199 6.782 9.247 1.00 0.00 O ATOM 0 H GLU A 9 -2.164 5.892 4.181 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.457 4.879 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.721 3.493 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.068 3.694 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.631 6.187 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.024 5.389 8.272 1.00 0.00 H new ATOM 136 N PRO A 10 -0.818 1.856 5.329 1.00 0.00 N ATOM 137 CA PRO A 10 -0.665 0.586 4.583 1.00 0.00 C ATOM 138 C PRO A 10 -2.050 -0.097 4.351 1.00 0.00 C ATOM 139 O PRO A 10 -2.294 -1.191 4.835 1.00 0.00 O ATOM 140 CB PRO A 10 0.260 -0.255 5.474 1.00 0.00 C ATOM 141 CG PRO A 10 0.114 0.306 6.905 1.00 0.00 C ATOM 142 CD PRO A 10 -0.488 1.717 6.772 1.00 0.00 C ATOM 0 HA PRO A 10 -0.251 0.722 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.019 -1.308 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.293 -0.188 5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.531 -0.334 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.082 0.344 7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.377 1.828 7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.221 2.481 7.091 1.00 0.00 H new ATOM 150 N TRP A 11 -2.946 0.551 3.598 1.00 0.00 N ATOM 151 CA TRP A 11 -4.312 -0.020 3.267 1.00 0.00 C ATOM 152 C TRP A 11 -5.296 -0.015 4.481 1.00 0.00 C ATOM 153 O TRP A 11 -6.269 -0.762 4.458 1.00 0.00 O ATOM 154 CB TRP A 11 -4.203 -1.481 2.739 1.00 0.00 C ATOM 155 CG TRP A 11 -4.494 -1.452 1.285 1.00 0.00 C ATOM 156 CD1 TRP A 11 -5.521 -2.051 0.635 1.00 0.00 C ATOM 157 CD2 TRP A 11 -3.754 -0.735 0.301 1.00 0.00 C ATOM 158 NE1 TRP A 11 -5.434 -1.724 -0.712 1.00 0.00 N ATOM 159 CE2 TRP A 11 -4.353 -0.911 -0.953 1.00 0.00 C ATOM 160 CE3 TRP A 11 -2.613 0.053 0.400 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -3.827 -0.313 -2.076 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -2.085 0.650 -0.715 1.00 0.00 C ATOM 163 CH2 TRP A 11 -2.687 0.473 -1.942 1.00 0.00 C ATOM 0 H TRP A 11 -2.776 1.472 3.194 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.713 0.637 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.206 -1.882 2.923 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.908 -2.130 3.258 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.277 -2.676 1.087 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.086 -2.045 -1.428 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.140 0.195 1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.290 -0.451 -3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.197 1.259 -0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.267 0.952 -2.814 1.00 0.00 H new ATOM 174 N ASN A 12 -5.075 0.761 5.550 1.00 0.00 N ATOM 175 CA ASN A 12 -6.042 0.678 6.719 1.00 0.00 C ATOM 176 C ASN A 12 -6.174 1.981 7.571 1.00 0.00 C ATOM 177 O ASN A 12 -6.358 1.902 8.775 1.00 0.00 O ATOM 178 CB ASN A 12 -5.601 -0.511 7.603 1.00 0.00 C ATOM 179 CG ASN A 12 -6.804 -1.100 8.348 1.00 0.00 C ATOM 180 OD1 ASN A 12 -7.824 -1.400 7.754 1.00 0.00 O ATOM 181 ND2 ASN A 12 -6.736 -1.282 9.632 1.00 0.00 N ATOM 0 H ASN A 12 -4.302 1.418 5.657 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.040 0.536 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.137 -1.279 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.849 -0.180 8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.533 -1.673 10.135 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.886 -1.034 10.138 1.00 0.00 H new ATOM 188 N HIS A 13 -6.174 3.154 6.948 1.00 0.00 N ATOM 189 CA HIS A 13 -6.388 4.480 7.680 1.00 0.00 C ATOM 190 C HIS A 13 -5.361 4.775 8.819 1.00 0.00 C ATOM 191 O HIS A 13 -4.671 3.888 9.286 1.00 0.00 O ATOM 192 CB HIS A 13 -7.796 4.457 8.307 1.00 0.00 C ATOM 193 CG HIS A 13 -8.676 5.547 7.754 1.00 0.00 C ATOM 194 ND1 HIS A 13 -9.684 6.116 8.509 1.00 0.00 N ATOM 195 CD2 HIS A 13 -8.725 6.176 6.536 1.00 0.00 C ATOM 196 CE1 HIS A 13 -10.288 7.045 7.748 1.00 0.00 C ATOM 197 NE2 HIS A 13 -9.740 7.122 6.535 1.00 0.00 N ATOM 0 H HIS A 13 -6.032 3.255 5.943 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.257 5.265 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -8.260 3.488 8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.714 4.570 9.388 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.071 5.966 5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.116 7.655 8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.009 7.742 5.771 1.00 0.00 H new ATOM 205 N PRO A 14 -5.337 6.039 9.278 1.00 0.00 N ATOM 206 CA PRO A 14 -4.479 6.468 10.401 1.00 0.00 C ATOM 207 C PRO A 14 -5.230 6.182 11.738 1.00 0.00 C ATOM 208 O PRO A 14 -4.903 5.247 12.440 1.00 0.00 O ATOM 209 CB PRO A 14 -4.277 7.972 10.142 1.00 0.00 C ATOM 210 CG PRO A 14 -5.463 8.432 9.253 1.00 0.00 C ATOM 211 CD PRO A 14 -6.131 7.157 8.703 1.00 0.00 C ATOM 0 HA PRO A 14 -3.522 5.951 10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.257 8.527 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.325 8.155 9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.174 9.021 9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.112 9.066 8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.177 7.096 9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.111 7.138 7.613 1.00 0.00 H new ATOM 219 N GLY A 15 -6.261 6.956 12.071 1.00 0.00 N ATOM 220 CA GLY A 15 -7.055 6.714 13.330 1.00 0.00 C ATOM 221 C GLY A 15 -6.211 6.988 14.582 1.00 0.00 C ATOM 222 O GLY A 15 -6.204 8.093 15.092 1.00 0.00 O ATOM 0 H GLY A 15 -6.582 7.749 11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.937 7.355 13.336 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.410 5.684 13.346 1.00 0.00 H new ATOM 226 N SER A 16 -5.520 5.980 15.082 1.00 0.00 N ATOM 227 CA SER A 16 -4.679 6.154 16.316 1.00 0.00 C ATOM 228 C SER A 16 -3.258 5.579 16.103 1.00 0.00 C ATOM 229 O SER A 16 -2.320 6.338 15.939 1.00 0.00 O ATOM 230 CB SER A 16 -5.385 5.485 17.513 1.00 0.00 C ATOM 231 OG SER A 16 -5.610 4.097 17.246 1.00 0.00 O ATOM 0 H SER A 16 -5.504 5.041 14.684 1.00 0.00 H new ATOM 0 HA SER A 16 -4.565 7.217 16.526 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.777 5.595 18.411 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.335 5.983 17.708 1.00 0.00 H new ATOM 0 HG SER A 16 -6.057 3.684 18.014 1.00 0.00 H new ATOM 237 N GLN A 17 -3.084 4.261 16.111 1.00 0.00 N ATOM 238 CA GLN A 17 -1.710 3.662 15.923 1.00 0.00 C ATOM 239 C GLN A 17 -1.755 2.431 14.965 1.00 0.00 C ATOM 240 O GLN A 17 -1.597 1.303 15.405 1.00 0.00 O ATOM 241 CB GLN A 17 -1.155 3.240 17.305 1.00 0.00 C ATOM 242 CG GLN A 17 -0.787 4.480 18.141 1.00 0.00 C ATOM 243 CD GLN A 17 -1.676 4.556 19.390 1.00 0.00 C ATOM 244 OE1 GLN A 17 -2.841 4.871 19.301 1.00 0.00 O ATOM 245 NE2 GLN A 17 -1.178 4.281 20.559 1.00 0.00 N ATOM 0 H GLN A 17 -3.834 3.581 16.239 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.058 4.409 15.470 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.898 2.644 17.835 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.276 2.609 17.173 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.262 4.433 18.434 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.910 5.382 17.542 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.197 4.014 20.646 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.768 4.332 21.389 1.00 0.00 H new ATOM 254 N PRO A 18 -1.949 2.678 13.667 1.00 0.00 N ATOM 255 CA PRO A 18 -1.985 1.593 12.642 1.00 0.00 C ATOM 256 C PRO A 18 -0.551 1.147 12.254 1.00 0.00 C ATOM 257 O PRO A 18 -0.258 -0.032 12.179 1.00 0.00 O ATOM 258 CB PRO A 18 -2.669 2.258 11.441 1.00 0.00 C ATOM 259 CG PRO A 18 -2.440 3.777 11.601 1.00 0.00 C ATOM 260 CD PRO A 18 -2.165 4.035 13.097 1.00 0.00 C ATOM 0 HA PRO A 18 -2.499 0.700 12.997 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.246 1.897 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.734 2.025 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.599 4.107 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.314 4.336 11.267 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.290 4.670 13.238 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.005 4.539 13.575 1.00 0.00 H new ATOM 268 N LYS A 19 0.325 2.102 11.983 1.00 0.00 N ATOM 269 CA LYS A 19 1.734 1.800 11.574 1.00 0.00 C ATOM 270 C LYS A 19 2.632 2.971 12.045 1.00 0.00 C ATOM 271 O LYS A 19 2.390 4.120 11.703 1.00 0.00 O ATOM 272 CB LYS A 19 1.743 1.619 10.034 1.00 0.00 C ATOM 273 CG LYS A 19 3.135 1.870 9.418 1.00 0.00 C ATOM 274 CD LYS A 19 2.975 2.535 8.041 1.00 0.00 C ATOM 275 CE LYS A 19 2.460 3.976 8.206 1.00 0.00 C ATOM 276 NZ LYS A 19 2.352 4.627 6.866 1.00 0.00 N ATOM 0 H LYS A 19 0.109 3.098 12.032 1.00 0.00 H new ATOM 0 HA LYS A 19 2.120 0.886 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.417 0.608 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.022 2.304 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.725 2.508 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.675 0.929 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.931 2.540 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.280 1.960 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.488 3.971 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.137 4.544 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.586 5.330 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.250 5.099 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.145 3.906 6.145 1.00 0.00 H new ATOM 290 N THR A 20 3.642 2.681 12.846 1.00 0.00 N ATOM 291 CA THR A 20 4.559 3.761 13.386 1.00 0.00 C ATOM 292 C THR A 20 5.434 4.375 12.271 1.00 0.00 C ATOM 293 O THR A 20 5.451 5.583 12.104 1.00 0.00 O ATOM 294 CB THR A 20 5.473 3.186 14.490 1.00 0.00 C ATOM 295 OG1 THR A 20 6.057 1.963 14.051 1.00 0.00 O ATOM 296 CG2 THR A 20 4.656 2.925 15.758 1.00 0.00 C ATOM 0 H THR A 20 3.875 1.736 13.153 1.00 0.00 H new ATOM 0 HA THR A 20 3.927 4.546 13.801 1.00 0.00 H new ATOM 0 HB THR A 20 6.260 3.909 14.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.636 1.606 14.756 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.306 2.519 16.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.216 3.859 16.106 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.863 2.210 15.539 1.00 0.00 H new ATOM 304 N ALA A 21 6.163 3.562 11.523 1.00 0.00 N ATOM 305 CA ALA A 21 7.049 4.098 10.424 1.00 0.00 C ATOM 306 C ALA A 21 6.187 4.708 9.298 1.00 0.00 C ATOM 307 O ALA A 21 5.487 4.000 8.595 1.00 0.00 O ATOM 308 CB ALA A 21 7.916 2.960 9.865 1.00 0.00 C ATOM 0 H ALA A 21 6.181 2.548 11.628 1.00 0.00 H new ATOM 0 HA ALA A 21 7.694 4.877 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.556 3.346 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.535 2.549 10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.273 2.176 9.464 1.00 0.00 H new ATOM 314 N CYS A 22 6.233 6.024 9.138 1.00 0.00 N ATOM 315 CA CYS A 22 5.419 6.723 8.072 1.00 0.00 C ATOM 316 C CYS A 22 5.738 6.138 6.673 1.00 0.00 C ATOM 317 O CYS A 22 4.855 5.599 6.020 1.00 0.00 O ATOM 318 CB CYS A 22 5.721 8.233 8.105 1.00 0.00 C ATOM 319 SG CYS A 22 4.311 9.153 7.441 1.00 0.00 S ATOM 0 H CYS A 22 6.806 6.647 9.707 1.00 0.00 H new ATOM 0 HA CYS A 22 4.359 6.564 8.271 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.925 8.550 9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.615 8.447 7.520 1.00 0.00 H new ATOM 0 HG CYS A 22 3.713 8.437 6.535 1.00 0.00 H new ATOM 325 N ASN A 23 6.984 6.221 6.229 1.00 0.00 N ATOM 326 CA ASN A 23 7.375 5.650 4.886 1.00 0.00 C ATOM 327 C ASN A 23 8.915 5.598 4.747 1.00 0.00 C ATOM 328 O ASN A 23 9.616 6.523 5.133 1.00 0.00 O ATOM 329 CB ASN A 23 6.755 6.487 3.737 1.00 0.00 C ATOM 330 CG ASN A 23 7.329 7.910 3.704 1.00 0.00 C ATOM 331 OD1 ASN A 23 8.324 8.156 3.060 1.00 0.00 O ATOM 332 ND2 ASN A 23 6.740 8.861 4.364 1.00 0.00 N ATOM 0 H ASN A 23 7.747 6.661 6.742 1.00 0.00 H new ATOM 0 HA ASN A 23 6.988 4.633 4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.945 5.995 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.673 6.533 3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.116 9.809 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.901 8.660 4.909 1.00 0.00 H new ATOM 339 N ARG A 24 9.436 4.515 4.198 1.00 0.00 N ATOM 340 CA ARG A 24 10.923 4.379 4.019 1.00 0.00 C ATOM 341 C ARG A 24 11.236 3.295 2.959 1.00 0.00 C ATOM 342 O ARG A 24 11.462 2.139 3.279 1.00 0.00 O ATOM 343 CB ARG A 24 11.585 4.031 5.374 1.00 0.00 C ATOM 344 CG ARG A 24 12.658 5.078 5.724 1.00 0.00 C ATOM 345 CD ARG A 24 13.946 4.816 4.924 1.00 0.00 C ATOM 346 NE ARG A 24 13.793 5.320 3.514 1.00 0.00 N ATOM 347 CZ ARG A 24 14.044 6.559 3.217 1.00 0.00 C ATOM 348 NH1 ARG A 24 15.243 6.900 2.864 1.00 0.00 N ATOM 349 NH2 ARG A 24 13.098 7.446 3.270 1.00 0.00 N ATOM 0 H ARG A 24 8.891 3.719 3.866 1.00 0.00 H new ATOM 0 HA ARG A 24 11.330 5.327 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.829 3.997 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.036 3.040 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.284 6.078 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.873 5.044 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.789 5.311 5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.166 3.749 4.915 1.00 0.00 H new ATOM 0 HE ARG A 24 13.488 4.679 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.981 6.197 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.449 7.871 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.155 7.170 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.297 8.419 3.036 1.00 0.00 H new ATOM 363 N CYS A 25 11.252 3.675 1.695 1.00 0.00 N ATOM 364 CA CYS A 25 11.555 2.692 0.595 1.00 0.00 C ATOM 365 C CYS A 25 13.063 2.729 0.247 1.00 0.00 C ATOM 366 O CYS A 25 13.688 3.782 0.266 1.00 0.00 O ATOM 367 CB CYS A 25 10.704 3.016 -0.650 1.00 0.00 C ATOM 368 SG CYS A 25 11.176 4.623 -1.356 1.00 0.00 S ATOM 0 H CYS A 25 11.068 4.627 1.378 1.00 0.00 H new ATOM 0 HA CYS A 25 11.304 1.688 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.833 2.233 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.648 3.028 -0.381 1.00 0.00 H new ATOM 0 HG CYS A 25 12.383 4.925 -0.978 1.00 0.00 H new ATOM 374 N HIS A 26 13.640 1.582 -0.063 1.00 0.00 N ATOM 375 CA HIS A 26 15.107 1.508 -0.422 1.00 0.00 C ATOM 376 C HIS A 26 15.358 0.335 -1.394 1.00 0.00 C ATOM 377 O HIS A 26 15.887 0.528 -2.473 1.00 0.00 O ATOM 378 CB HIS A 26 15.951 1.288 0.850 1.00 0.00 C ATOM 379 CG HIS A 26 16.390 2.602 1.433 1.00 0.00 C ATOM 380 ND1 HIS A 26 17.362 3.390 0.836 1.00 0.00 N ATOM 381 CD2 HIS A 26 16.023 3.261 2.576 1.00 0.00 C ATOM 382 CE1 HIS A 26 17.545 4.468 1.619 1.00 0.00 C ATOM 383 NE2 HIS A 26 16.752 4.437 2.694 1.00 0.00 N ATOM 0 H HIS A 26 13.154 0.685 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 26 15.393 2.446 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 26 15.369 0.734 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 26 16.824 0.681 0.612 1.00 0.00 H new ATOM 0 HD1 HIS A 26 17.849 3.189 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.279 2.918 3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.246 5.261 1.405 1.00 0.00 H new ATOM 391 N CYS A 27 14.992 -0.876 -1.000 1.00 0.00 N ATOM 392 CA CYS A 27 15.212 -2.080 -1.870 1.00 0.00 C ATOM 393 C CYS A 27 13.865 -2.736 -2.235 1.00 0.00 C ATOM 394 O CYS A 27 13.075 -3.075 -1.368 1.00 0.00 O ATOM 395 CB CYS A 27 16.090 -3.083 -1.107 1.00 0.00 C ATOM 396 SG CYS A 27 16.770 -4.301 -2.263 1.00 0.00 S ATOM 0 H CYS A 27 14.547 -1.076 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 27 15.705 -1.776 -2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 27 16.899 -2.559 -0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 27 15.502 -3.585 -0.339 1.00 0.00 H new ATOM 0 HG CYS A 27 17.514 -5.147 -1.614 1.00 0.00 H new ATOM 402 N LYS A 28 13.619 -2.932 -3.516 1.00 0.00 N ATOM 403 CA LYS A 28 12.340 -3.585 -3.977 1.00 0.00 C ATOM 404 C LYS A 28 12.666 -4.956 -4.632 1.00 0.00 C ATOM 405 O LYS A 28 12.340 -5.215 -5.781 1.00 0.00 O ATOM 406 CB LYS A 28 11.593 -2.645 -4.957 1.00 0.00 C ATOM 407 CG LYS A 28 12.494 -2.241 -6.147 1.00 0.00 C ATOM 408 CD LYS A 28 11.677 -2.256 -7.451 1.00 0.00 C ATOM 409 CE LYS A 28 11.902 -3.582 -8.192 1.00 0.00 C ATOM 410 NZ LYS A 28 11.578 -3.412 -9.643 1.00 0.00 N ATOM 0 H LYS A 28 14.254 -2.666 -4.268 1.00 0.00 H new ATOM 0 HA LYS A 28 11.684 -3.764 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.697 -3.142 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.265 -1.751 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.909 -1.247 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.336 -2.929 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.618 -2.129 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.972 -1.420 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.937 -3.903 -8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.276 -4.362 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.732 -4.312 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.584 -3.125 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.193 -2.680 -10.053 1.00 0.00 H new ATOM 424 N LYS A 29 13.318 -5.832 -3.886 1.00 0.00 N ATOM 425 CA LYS A 29 13.692 -7.191 -4.422 1.00 0.00 C ATOM 426 C LYS A 29 12.477 -8.147 -4.369 1.00 0.00 C ATOM 427 O LYS A 29 12.172 -8.811 -5.344 1.00 0.00 O ATOM 428 CB LYS A 29 14.853 -7.759 -3.586 1.00 0.00 C ATOM 429 CG LYS A 29 15.737 -8.654 -4.462 1.00 0.00 C ATOM 430 CD LYS A 29 16.365 -9.757 -3.601 1.00 0.00 C ATOM 431 CE LYS A 29 15.427 -10.968 -3.541 1.00 0.00 C ATOM 432 NZ LYS A 29 15.811 -11.841 -2.386 1.00 0.00 N ATOM 0 H LYS A 29 13.608 -5.661 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 29 14.003 -7.095 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.445 -6.944 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.461 -8.331 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.144 -9.097 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.518 -8.059 -4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.328 -10.052 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.554 -9.382 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.394 -10.636 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.484 -11.532 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.175 -12.663 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.791 -12.168 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.735 -11.300 -1.501 1.00 0.00 H new ATOM 446 N CYS A 30 11.790 -8.211 -3.241 1.00 0.00 N ATOM 447 CA CYS A 30 10.586 -9.105 -3.101 1.00 0.00 C ATOM 448 C CYS A 30 9.590 -8.444 -2.118 1.00 0.00 C ATOM 449 O CYS A 30 9.632 -8.675 -0.920 1.00 0.00 O ATOM 450 CB CYS A 30 11.011 -10.508 -2.604 1.00 0.00 C ATOM 451 SG CYS A 30 12.213 -10.376 -1.248 1.00 0.00 S ATOM 0 H CYS A 30 12.017 -7.675 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 30 10.103 -9.233 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.134 -11.060 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.446 -11.074 -3.428 1.00 0.00 H new ATOM 0 HG CYS A 30 11.761 -9.557 -0.345 1.00 0.00 H new ATOM 457 N CYS A 31 8.713 -7.595 -2.630 1.00 0.00 N ATOM 458 CA CYS A 31 7.722 -6.880 -1.751 1.00 0.00 C ATOM 459 C CYS A 31 6.278 -7.250 -2.141 1.00 0.00 C ATOM 460 O CYS A 31 5.942 -7.325 -3.310 1.00 0.00 O ATOM 461 CB CYS A 31 7.925 -5.365 -1.900 1.00 0.00 C ATOM 462 SG CYS A 31 7.301 -4.515 -0.425 1.00 0.00 S ATOM 0 H CYS A 31 8.644 -7.369 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 31 7.884 -7.181 -0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.983 -5.142 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.404 -5.004 -2.787 1.00 0.00 H new ATOM 0 HG CYS A 31 7.477 -3.234 -0.555 1.00 0.00 H new ATOM 468 N TYR A 32 5.425 -7.458 -1.155 1.00 0.00 N ATOM 469 CA TYR A 32 3.981 -7.812 -1.430 1.00 0.00 C ATOM 470 C TYR A 32 3.091 -6.541 -1.534 1.00 0.00 C ATOM 471 O TYR A 32 1.877 -6.637 -1.474 1.00 0.00 O ATOM 472 CB TYR A 32 3.464 -8.698 -0.279 1.00 0.00 C ATOM 473 CG TYR A 32 3.833 -10.145 -0.523 1.00 0.00 C ATOM 474 CD1 TYR A 32 5.126 -10.601 -0.233 1.00 0.00 C ATOM 475 CD2 TYR A 32 2.877 -11.033 -1.029 1.00 0.00 C ATOM 476 CE1 TYR A 32 5.459 -11.943 -0.452 1.00 0.00 C ATOM 477 CE2 TYR A 32 3.212 -12.374 -1.243 1.00 0.00 C ATOM 478 CZ TYR A 32 4.501 -12.826 -0.956 1.00 0.00 C ATOM 479 OH TYR A 32 4.822 -14.152 -1.152 1.00 0.00 O ATOM 0 H TYR A 32 5.667 -7.398 -0.166 1.00 0.00 H new ATOM 0 HA TYR A 32 3.929 -8.339 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.889 -8.362 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.382 -8.601 -0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.865 -9.918 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.880 -10.683 -1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.456 -12.295 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.473 -13.060 -1.630 1.00 0.00 H new ATOM 0 HH TYR A 32 4.042 -14.628 -1.506 1.00 0.00 H new ATOM 489 N HIS A 33 3.668 -5.354 -1.702 1.00 0.00 N ATOM 490 CA HIS A 33 2.835 -4.099 -1.797 1.00 0.00 C ATOM 491 C HIS A 33 2.115 -3.950 -3.143 1.00 0.00 C ATOM 492 O HIS A 33 1.383 -2.996 -3.291 1.00 0.00 O ATOM 493 CB HIS A 33 3.710 -2.859 -1.498 1.00 0.00 C ATOM 494 CG HIS A 33 2.906 -1.790 -0.796 1.00 0.00 C ATOM 495 ND1 HIS A 33 3.084 -1.487 0.543 1.00 0.00 N ATOM 496 CD2 HIS A 33 1.931 -0.937 -1.237 1.00 0.00 C ATOM 497 CE1 HIS A 33 2.239 -0.487 0.851 1.00 0.00 C ATOM 498 NE2 HIS A 33 1.513 -0.116 -0.199 1.00 0.00 N ATOM 0 H HIS A 33 4.675 -5.207 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 33 2.050 -4.180 -1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.558 -3.148 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.116 -2.462 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.544 -0.907 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.160 -0.040 1.831 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.802 0.615 -0.234 1.00 0.00 H new ATOM 506 N CYS A 34 2.179 -4.919 -4.063 1.00 0.00 N ATOM 507 CA CYS A 34 1.321 -4.825 -5.308 1.00 0.00 C ATOM 508 C CYS A 34 -0.158 -4.659 -4.816 1.00 0.00 C ATOM 509 O CYS A 34 -0.968 -4.006 -5.443 1.00 0.00 O ATOM 510 CB CYS A 34 1.457 -6.111 -6.138 1.00 0.00 C ATOM 511 SG CYS A 34 3.081 -6.147 -6.943 1.00 0.00 S ATOM 0 H CYS A 34 2.773 -5.746 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 34 1.626 -3.988 -5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.339 -6.984 -5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.667 -6.157 -6.888 1.00 0.00 H new ATOM 0 HG CYS A 34 3.194 -7.237 -7.643 1.00 0.00 H new ATOM 517 N GLN A 35 -0.446 -5.216 -3.633 1.00 0.00 N ATOM 518 CA GLN A 35 -1.771 -5.101 -2.950 1.00 0.00 C ATOM 519 C GLN A 35 -1.441 -4.768 -1.460 1.00 0.00 C ATOM 520 O GLN A 35 -1.978 -5.365 -0.550 1.00 0.00 O ATOM 521 CB GLN A 35 -2.514 -6.453 -3.031 1.00 0.00 C ATOM 522 CG GLN A 35 -2.110 -7.229 -4.296 1.00 0.00 C ATOM 523 CD GLN A 35 -3.227 -8.191 -4.713 1.00 0.00 C ATOM 524 OE1 GLN A 35 -3.993 -7.900 -5.607 1.00 0.00 O ATOM 525 NE2 GLN A 35 -3.354 -9.337 -4.110 1.00 0.00 N ATOM 0 H GLN A 35 0.231 -5.768 -3.106 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.405 -4.341 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.289 -7.049 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.590 -6.281 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.901 -6.531 -5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.192 -7.786 -4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.715 -9.591 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.093 -9.982 -4.390 1.00 0.00 H new ATOM 534 N VAL A 36 -0.502 -3.836 -1.256 1.00 0.00 N ATOM 535 CA VAL A 36 0.009 -3.405 0.104 1.00 0.00 C ATOM 536 C VAL A 36 0.796 -4.533 0.847 1.00 0.00 C ATOM 537 O VAL A 36 0.498 -5.703 0.745 1.00 0.00 O ATOM 538 CB VAL A 36 -1.122 -2.799 0.971 1.00 0.00 C ATOM 539 CG1 VAL A 36 -1.857 -3.852 1.802 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.515 -1.753 1.913 1.00 0.00 C ATOM 0 H VAL A 36 -0.053 -3.338 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 36 0.736 -2.613 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.851 -2.350 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.639 -3.371 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.305 -4.591 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.152 -4.345 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.302 -1.318 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.228 -2.228 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.039 -0.968 1.326 1.00 0.00 H new ATOM 550 N CYS A 37 1.797 -4.140 1.620 1.00 0.00 N ATOM 551 CA CYS A 37 2.623 -5.098 2.442 1.00 0.00 C ATOM 552 C CYS A 37 2.220 -4.837 3.902 1.00 0.00 C ATOM 553 O CYS A 37 2.029 -3.687 4.282 1.00 0.00 O ATOM 554 CB CYS A 37 4.121 -4.823 2.239 1.00 0.00 C ATOM 555 SG CYS A 37 5.050 -6.363 2.449 1.00 0.00 S ATOM 0 H CYS A 37 2.081 -3.165 1.715 1.00 0.00 H new ATOM 0 HA CYS A 37 2.449 -6.135 2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.295 -4.413 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.465 -4.077 2.955 1.00 0.00 H new ATOM 0 HG CYS A 37 6.318 -6.132 2.275 1.00 0.00 H new ATOM 561 N PHE A 38 1.979 -5.867 4.698 1.00 0.00 N ATOM 562 CA PHE A 38 1.444 -5.597 6.092 1.00 0.00 C ATOM 563 C PHE A 38 1.511 -6.808 7.058 1.00 0.00 C ATOM 564 O PHE A 38 1.884 -6.654 8.206 1.00 0.00 O ATOM 565 CB PHE A 38 -0.066 -5.196 5.933 1.00 0.00 C ATOM 566 CG PHE A 38 -0.772 -6.191 5.001 1.00 0.00 C ATOM 567 CD1 PHE A 38 -0.635 -6.083 3.618 1.00 0.00 C ATOM 568 CD2 PHE A 38 -1.492 -7.260 5.529 1.00 0.00 C ATOM 569 CE1 PHE A 38 -1.208 -7.033 2.782 1.00 0.00 C ATOM 570 CE2 PHE A 38 -2.076 -8.206 4.690 1.00 0.00 C ATOM 571 CZ PHE A 38 -1.929 -8.090 3.317 1.00 0.00 C ATOM 0 H PHE A 38 2.122 -6.848 4.458 1.00 0.00 H new ATOM 0 HA PHE A 38 2.069 -4.819 6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.554 -5.187 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.143 -4.187 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.081 -5.258 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.598 -7.356 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.092 -6.948 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.641 -9.026 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.376 -8.824 2.663 1.00 0.00 H new ATOM 581 N ILE A 39 1.077 -7.975 6.620 1.00 0.00 N ATOM 582 CA ILE A 39 1.004 -9.184 7.504 1.00 0.00 C ATOM 583 C ILE A 39 1.694 -10.363 6.781 1.00 0.00 C ATOM 584 O ILE A 39 2.637 -10.927 7.298 1.00 0.00 O ATOM 585 CB ILE A 39 -0.532 -9.482 7.796 1.00 0.00 C ATOM 586 CG1 ILE A 39 -0.988 -8.842 9.117 1.00 0.00 C ATOM 587 CG2 ILE A 39 -0.808 -10.986 7.910 1.00 0.00 C ATOM 588 CD1 ILE A 39 -0.888 -7.328 9.038 1.00 0.00 C ATOM 0 H ILE A 39 0.764 -8.139 5.663 1.00 0.00 H new ATOM 0 HA ILE A 39 1.515 -9.028 8.454 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.080 -9.059 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.016 -9.134 9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.373 -9.211 9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.867 -11.147 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.536 -11.478 6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.217 -11.403 8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.215 -6.892 9.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.146 -7.041 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.523 -6.963 8.231 1.00 0.00 H new ATOM 600 N LYS A 40 1.206 -10.711 5.587 1.00 0.00 N ATOM 601 CA LYS A 40 1.764 -11.853 4.750 1.00 0.00 C ATOM 602 C LYS A 40 0.709 -12.297 3.697 1.00 0.00 C ATOM 603 O LYS A 40 1.069 -12.756 2.621 1.00 0.00 O ATOM 604 CB LYS A 40 2.135 -13.071 5.655 1.00 0.00 C ATOM 605 CG LYS A 40 2.448 -14.338 4.833 1.00 0.00 C ATOM 606 CD LYS A 40 3.816 -14.195 4.151 1.00 0.00 C ATOM 607 CE LYS A 40 3.808 -14.928 2.806 1.00 0.00 C ATOM 608 NZ LYS A 40 3.377 -13.984 1.730 1.00 0.00 N ATOM 0 H LYS A 40 0.419 -10.233 5.149 1.00 0.00 H new ATOM 0 HA LYS A 40 2.664 -11.502 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.000 -12.815 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.311 -13.278 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.446 -15.213 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.673 -14.496 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.048 -13.141 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.596 -14.604 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.802 -15.319 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.132 -15.782 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.906 -14.515 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.716 -13.286 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.209 -13.493 1.345 1.00 0.00 H new ATOM 622 N LYS A 41 -0.580 -12.184 4.005 1.00 0.00 N ATOM 623 CA LYS A 41 -1.648 -12.626 3.037 1.00 0.00 C ATOM 624 C LYS A 41 -2.152 -11.423 2.181 1.00 0.00 C ATOM 625 O LYS A 41 -1.411 -10.504 1.912 1.00 0.00 O ATOM 626 CB LYS A 41 -2.805 -13.302 3.852 1.00 0.00 C ATOM 627 CG LYS A 41 -3.629 -12.275 4.687 1.00 0.00 C ATOM 628 CD LYS A 41 -3.207 -12.341 6.162 1.00 0.00 C ATOM 629 CE LYS A 41 -4.171 -13.246 6.942 1.00 0.00 C ATOM 630 NZ LYS A 41 -3.423 -13.963 8.024 1.00 0.00 N ATOM 0 H LYS A 41 -0.931 -11.805 4.885 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.243 -13.353 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.471 -13.824 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.383 -14.053 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.471 -11.268 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.694 -12.489 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.190 -12.725 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.205 -11.340 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.975 -12.651 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.635 -13.966 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.078 -14.576 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.671 -14.543 7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.000 -13.269 8.673 1.00 0.00 H new ATOM 644 N GLY A 42 -3.409 -11.452 1.785 1.00 0.00 N ATOM 645 CA GLY A 42 -4.079 -10.345 0.998 1.00 0.00 C ATOM 646 C GLY A 42 -5.588 -10.436 1.320 1.00 0.00 C ATOM 647 O GLY A 42 -6.440 -10.280 0.465 1.00 0.00 O ATOM 0 H GLY A 42 -4.030 -12.236 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.679 -9.371 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.901 -10.465 -0.071 1.00 0.00 H new ATOM 651 N LEU A 43 -5.885 -10.739 2.578 1.00 0.00 N ATOM 652 CA LEU A 43 -7.284 -10.918 3.073 1.00 0.00 C ATOM 653 C LEU A 43 -7.849 -9.603 3.577 1.00 0.00 C ATOM 654 O LEU A 43 -7.113 -8.696 3.914 1.00 0.00 O ATOM 655 CB LEU A 43 -7.294 -11.985 4.217 1.00 0.00 C ATOM 656 CG LEU A 43 -7.026 -11.432 5.671 1.00 0.00 C ATOM 657 CD1 LEU A 43 -5.890 -10.392 5.753 1.00 0.00 C ATOM 658 CD2 LEU A 43 -8.301 -10.792 6.224 1.00 0.00 C ATOM 0 H LEU A 43 -5.177 -10.872 3.300 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.911 -11.260 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.261 -12.487 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.541 -12.740 3.991 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.716 -12.295 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.771 -10.064 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.960 -10.841 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.135 -9.535 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.111 -10.412 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.606 -9.970 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.095 -11.538 6.263 1.00 0.00 H new ATOM 670 N GLY A 44 -9.155 -9.519 3.686 1.00 0.00 N ATOM 671 CA GLY A 44 -9.799 -8.290 4.231 1.00 0.00 C ATOM 672 C GLY A 44 -9.218 -7.028 3.568 1.00 0.00 C ATOM 673 O GLY A 44 -8.749 -6.168 4.258 1.00 0.00 O ATOM 0 H GLY A 44 -9.804 -10.259 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.875 -8.332 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.647 -8.242 5.309 1.00 0.00 H new ATOM 677 N ILE A 45 -9.174 -7.008 2.234 1.00 0.00 N ATOM 678 CA ILE A 45 -8.560 -5.916 1.370 1.00 0.00 C ATOM 679 C ILE A 45 -7.027 -6.117 1.228 1.00 0.00 C ATOM 680 O ILE A 45 -6.448 -5.636 0.276 1.00 0.00 O ATOM 681 CB ILE A 45 -8.956 -4.446 1.790 1.00 0.00 C ATOM 682 CG1 ILE A 45 -8.202 -3.811 2.993 1.00 0.00 C ATOM 683 CG2 ILE A 45 -10.434 -4.415 2.167 1.00 0.00 C ATOM 684 CD1 ILE A 45 -6.716 -4.134 3.071 1.00 0.00 C ATOM 0 H ILE A 45 -9.570 -7.764 1.676 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.004 -6.028 0.381 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.684 -3.861 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.320 -2.728 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.678 -4.143 3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.714 -3.403 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.034 -4.726 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.611 -5.094 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.283 -3.645 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.582 -5.212 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.218 -3.776 2.170 1.00 0.00 H new ATOM 696 N SER A 46 -6.410 -6.796 2.208 1.00 0.00 N ATOM 697 CA SER A 46 -4.938 -7.084 2.327 1.00 0.00 C ATOM 698 C SER A 46 -4.467 -6.525 3.693 1.00 0.00 C ATOM 699 O SER A 46 -3.684 -5.591 3.763 1.00 0.00 O ATOM 700 CB SER A 46 -4.072 -6.506 1.200 1.00 0.00 C ATOM 701 OG SER A 46 -4.232 -7.292 0.023 1.00 0.00 O ATOM 0 H SER A 46 -6.936 -7.187 2.989 1.00 0.00 H new ATOM 0 HA SER A 46 -4.810 -8.164 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.358 -5.473 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.025 -6.494 1.502 1.00 0.00 H new ATOM 0 HG SER A 46 -5.080 -7.062 -0.411 1.00 0.00 H new ATOM 707 N TYR A 47 -4.946 -7.123 4.788 1.00 0.00 N ATOM 708 CA TYR A 47 -4.539 -6.705 6.182 1.00 0.00 C ATOM 709 C TYR A 47 -5.169 -7.621 7.276 1.00 0.00 C ATOM 710 O TYR A 47 -4.421 -8.215 8.040 1.00 0.00 O ATOM 711 CB TYR A 47 -4.777 -5.194 6.417 1.00 0.00 C ATOM 712 CG TYR A 47 -6.060 -4.923 7.127 1.00 0.00 C ATOM 713 CD1 TYR A 47 -6.107 -4.905 8.522 1.00 0.00 C ATOM 714 CD2 TYR A 47 -7.191 -4.694 6.378 1.00 0.00 C ATOM 715 CE1 TYR A 47 -7.318 -4.638 9.161 1.00 0.00 C ATOM 716 CE2 TYR A 47 -8.396 -4.435 7.003 1.00 0.00 C ATOM 717 CZ TYR A 47 -8.467 -4.402 8.395 1.00 0.00 C ATOM 718 OH TYR A 47 -9.668 -4.123 9.006 1.00 0.00 O ATOM 0 H TYR A 47 -5.612 -7.895 4.763 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.463 -6.851 6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.950 -4.785 6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.780 -4.676 5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.215 -5.096 9.101 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.137 -4.717 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.369 -4.613 10.239 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.283 -4.258 6.413 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.904 -3.185 8.850 1.00 0.00 H new ATOM 728 N GLY A 48 -6.500 -7.782 7.361 1.00 0.00 N ATOM 729 CA GLY A 48 -7.056 -8.703 8.430 1.00 0.00 C ATOM 730 C GLY A 48 -8.533 -8.490 8.827 1.00 0.00 C ATOM 731 O GLY A 48 -8.899 -8.962 9.889 1.00 0.00 O ATOM 0 H GLY A 48 -7.190 -7.332 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.940 -9.731 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.444 -8.594 9.325 1.00 0.00 H new ATOM 735 N ARG A 49 -9.397 -7.828 8.048 1.00 0.00 N ATOM 736 CA ARG A 49 -10.835 -7.669 8.523 1.00 0.00 C ATOM 737 C ARG A 49 -11.765 -7.028 7.455 1.00 0.00 C ATOM 738 O ARG A 49 -12.733 -7.659 7.058 1.00 0.00 O ATOM 739 CB ARG A 49 -10.788 -6.852 9.838 1.00 0.00 C ATOM 740 CG ARG A 49 -12.072 -6.077 10.138 1.00 0.00 C ATOM 741 CD ARG A 49 -11.775 -5.167 11.323 1.00 0.00 C ATOM 742 NE ARG A 49 -13.009 -4.998 12.153 1.00 0.00 N ATOM 743 CZ ARG A 49 -12.985 -5.233 13.426 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.988 -6.458 13.860 1.00 0.00 N ATOM 745 NH2 ARG A 49 -12.975 -4.239 14.257 1.00 0.00 N ATOM 0 H ARG A 49 -9.179 -7.409 7.144 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.277 -8.650 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.583 -7.530 10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.956 -6.150 9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.382 -5.493 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.889 -6.760 10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.974 -5.592 11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.427 -4.196 10.970 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.877 -4.695 11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.009 -7.234 13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.969 -6.644 14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.986 -3.281 13.907 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.956 -4.414 15.262 1.00 0.00 H new ATOM 759 N LYS A 50 -11.501 -5.790 7.035 1.00 0.00 N ATOM 760 CA LYS A 50 -12.368 -5.049 6.016 1.00 0.00 C ATOM 761 C LYS A 50 -12.964 -5.991 4.951 1.00 0.00 C ATOM 762 O LYS A 50 -12.245 -6.711 4.283 1.00 0.00 O ATOM 763 CB LYS A 50 -11.523 -4.001 5.276 1.00 0.00 C ATOM 764 CG LYS A 50 -11.477 -2.681 6.057 1.00 0.00 C ATOM 765 CD LYS A 50 -11.156 -1.530 5.085 1.00 0.00 C ATOM 766 CE LYS A 50 -9.718 -1.660 4.581 1.00 0.00 C ATOM 767 NZ LYS A 50 -8.839 -0.678 5.267 1.00 0.00 N ATOM 0 H LYS A 50 -10.702 -5.248 7.363 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.180 -4.589 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.511 -4.379 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.940 -3.827 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.433 -2.502 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.721 -2.734 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.849 -1.549 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.290 -0.571 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.353 -2.671 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.687 -1.496 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.910 -0.659 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.270 0.267 5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.721 -0.954 6.263 1.00 0.00 H new ATOM 781 N LYS A 51 -14.269 -5.971 4.774 1.00 0.00 N ATOM 782 CA LYS A 51 -14.905 -6.853 3.736 1.00 0.00 C ATOM 783 C LYS A 51 -14.568 -6.287 2.342 1.00 0.00 C ATOM 784 O LYS A 51 -15.127 -5.290 1.913 1.00 0.00 O ATOM 785 CB LYS A 51 -16.433 -6.917 3.947 1.00 0.00 C ATOM 786 CG LYS A 51 -16.758 -7.539 5.318 1.00 0.00 C ATOM 787 CD LYS A 51 -16.393 -9.034 5.327 1.00 0.00 C ATOM 788 CE LYS A 51 -15.232 -9.281 6.299 1.00 0.00 C ATOM 789 NZ LYS A 51 -15.234 -10.715 6.728 1.00 0.00 N ATOM 0 H LYS A 51 -14.917 -5.385 5.300 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.518 -7.868 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.858 -5.915 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.892 -7.508 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.206 -7.018 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.818 -7.415 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.259 -9.627 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.114 -9.355 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.284 -9.035 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.327 -8.630 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.447 -10.881 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.134 -10.935 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.123 -11.327 5.894 1.00 0.00 H new ATOM 803 N ARG A 52 -13.620 -6.906 1.660 1.00 0.00 N ATOM 804 CA ARG A 52 -13.179 -6.416 0.302 1.00 0.00 C ATOM 805 C ARG A 52 -14.243 -6.742 -0.779 1.00 0.00 C ATOM 806 O ARG A 52 -14.113 -7.679 -1.561 1.00 0.00 O ATOM 807 CB ARG A 52 -11.796 -7.014 -0.064 1.00 0.00 C ATOM 808 CG ARG A 52 -11.771 -8.546 0.112 1.00 0.00 C ATOM 809 CD ARG A 52 -10.686 -9.150 -0.787 1.00 0.00 C ATOM 810 NE ARG A 52 -11.112 -9.046 -2.222 1.00 0.00 N ATOM 811 CZ ARG A 52 -11.591 -10.076 -2.847 1.00 0.00 C ATOM 812 NH1 ARG A 52 -12.860 -10.341 -2.769 1.00 0.00 N ATOM 813 NH2 ARG A 52 -10.800 -10.822 -3.555 1.00 0.00 N ATOM 0 H ARG A 52 -13.129 -7.737 1.990 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.078 -5.331 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.553 -6.763 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.027 -6.563 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.576 -8.799 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.744 -8.967 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.742 -8.626 -0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.517 -10.194 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.024 -8.155 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.474 -9.740 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.243 -11.150 -3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.807 -10.597 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.171 -11.634 -4.049 1.00 0.00 H new ATOM 827 N ARG A 53 -15.291 -5.944 -0.819 1.00 0.00 N ATOM 828 CA ARG A 53 -16.392 -6.125 -1.819 1.00 0.00 C ATOM 829 C ARG A 53 -16.483 -4.834 -2.673 1.00 0.00 C ATOM 830 O ARG A 53 -17.473 -4.119 -2.660 1.00 0.00 O ATOM 831 CB ARG A 53 -17.709 -6.407 -1.060 1.00 0.00 C ATOM 832 CG ARG A 53 -18.302 -7.744 -1.526 1.00 0.00 C ATOM 833 CD ARG A 53 -19.101 -8.384 -0.387 1.00 0.00 C ATOM 834 NE ARG A 53 -20.040 -9.402 -0.961 1.00 0.00 N ATOM 835 CZ ARG A 53 -20.060 -10.615 -0.503 1.00 0.00 C ATOM 836 NH1 ARG A 53 -19.180 -11.475 -0.916 1.00 0.00 N ATOM 837 NH2 ARG A 53 -20.966 -10.962 0.358 1.00 0.00 N ATOM 0 H ARG A 53 -15.428 -5.158 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 53 -16.200 -6.968 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.522 -6.436 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -18.421 -5.601 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.947 -7.584 -2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.504 -8.415 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.426 -8.855 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.659 -7.621 0.156 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.669 -9.138 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.476 -11.196 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.193 -12.430 -0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.658 -10.282 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.986 -11.915 0.721 1.00 0.00 H new ATOM 851 N GLN A 54 -15.422 -4.536 -3.405 1.00 0.00 N ATOM 852 CA GLN A 54 -15.381 -3.302 -4.262 1.00 0.00 C ATOM 853 C GLN A 54 -15.421 -3.711 -5.750 1.00 0.00 C ATOM 854 O GLN A 54 -16.408 -3.467 -6.427 1.00 0.00 O ATOM 855 CB GLN A 54 -14.089 -2.514 -3.943 1.00 0.00 C ATOM 856 CG GLN A 54 -14.436 -1.099 -3.449 1.00 0.00 C ATOM 857 CD GLN A 54 -13.230 -0.499 -2.714 1.00 0.00 C ATOM 858 OE1 GLN A 54 -13.040 -0.741 -1.544 1.00 0.00 O ATOM 859 NE2 GLN A 54 -12.397 0.275 -3.349 1.00 0.00 N ATOM 0 H GLN A 54 -14.576 -5.105 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 54 -16.243 -2.667 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.512 -3.041 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.463 -2.453 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.712 -0.466 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -15.298 -1.137 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.547 0.486 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.594 0.670 -2.860 1.00 0.00 H new ATOM 868 N ARG A 55 -14.356 -4.334 -6.253 1.00 0.00 N ATOM 869 CA ARG A 55 -14.291 -4.786 -7.698 1.00 0.00 C ATOM 870 C ARG A 55 -12.882 -5.326 -8.031 1.00 0.00 C ATOM 871 O ARG A 55 -11.982 -5.295 -7.201 1.00 0.00 O ATOM 872 CB ARG A 55 -14.593 -3.600 -8.641 1.00 0.00 C ATOM 873 CG ARG A 55 -15.813 -3.936 -9.508 1.00 0.00 C ATOM 874 CD ARG A 55 -16.402 -2.654 -10.098 1.00 0.00 C ATOM 875 NE ARG A 55 -16.997 -1.824 -8.997 1.00 0.00 N ATOM 876 CZ ARG A 55 -16.920 -0.532 -9.037 1.00 0.00 C ATOM 877 NH1 ARG A 55 -17.819 0.149 -9.680 1.00 0.00 N ATOM 878 NH2 ARG A 55 -15.941 0.069 -8.435 1.00 0.00 N ATOM 0 H ARG A 55 -13.519 -4.549 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.031 -5.574 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.784 -2.698 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.729 -3.395 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.524 -4.616 -10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.565 -4.450 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.626 -2.089 -10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.165 -2.898 -10.837 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.464 -2.280 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.584 -0.334 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.761 1.167 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.239 -0.476 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.873 1.086 -8.462 1.00 0.00 H new ATOM 892 N ARG A 56 -12.679 -5.785 -9.258 1.00 0.00 N ATOM 893 CA ARG A 56 -11.327 -6.284 -9.682 1.00 0.00 C ATOM 894 C ARG A 56 -10.391 -5.064 -9.837 1.00 0.00 C ATOM 895 O ARG A 56 -10.797 -4.034 -10.356 1.00 0.00 O ATOM 896 CB ARG A 56 -11.441 -7.037 -11.022 1.00 0.00 C ATOM 897 CG ARG A 56 -10.512 -8.264 -11.019 1.00 0.00 C ATOM 898 CD ARG A 56 -11.326 -9.530 -10.731 1.00 0.00 C ATOM 899 NE ARG A 56 -10.632 -10.713 -11.340 1.00 0.00 N ATOM 900 CZ ARG A 56 -11.062 -11.229 -12.452 1.00 0.00 C ATOM 901 NH1 ARG A 56 -10.657 -10.742 -13.587 1.00 0.00 N ATOM 902 NH2 ARG A 56 -11.890 -12.229 -12.418 1.00 0.00 N ATOM 0 H ARG A 56 -13.398 -5.833 -9.980 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.927 -6.971 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.472 -7.352 -11.185 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.177 -6.373 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.010 -8.354 -11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.734 -8.141 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.434 -9.671 -9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.331 -9.432 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.817 -11.115 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.004 -9.958 -13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.992 -11.144 -14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.199 -12.605 -11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.231 -12.638 -13.288 1.00 0.00 H new ATOM 916 N ARG A 57 -9.162 -5.164 -9.364 1.00 0.00 N ATOM 917 CA ARG A 57 -8.208 -3.996 -9.451 1.00 0.00 C ATOM 918 C ARG A 57 -7.941 -3.575 -10.925 1.00 0.00 C ATOM 919 O ARG A 57 -7.896 -4.418 -11.813 1.00 0.00 O ATOM 920 CB ARG A 57 -6.870 -4.325 -8.760 1.00 0.00 C ATOM 921 CG ARG A 57 -6.246 -5.593 -9.359 1.00 0.00 C ATOM 922 CD ARG A 57 -4.730 -5.585 -9.134 1.00 0.00 C ATOM 923 NE ARG A 57 -4.026 -5.881 -10.426 1.00 0.00 N ATOM 924 CZ ARG A 57 -4.006 -5.001 -11.386 1.00 0.00 C ATOM 925 NH1 ARG A 57 -3.135 -4.041 -11.363 1.00 0.00 N ATOM 926 NH2 ARG A 57 -4.867 -5.082 -12.352 1.00 0.00 N ATOM 0 H ARG A 57 -8.779 -6.000 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.684 -3.161 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.182 -3.487 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.032 -4.464 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.686 -6.478 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.464 -5.647 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.415 -4.615 -8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.460 -6.327 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.559 -6.779 -10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.468 -3.976 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.117 -3.351 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.557 -5.833 -12.358 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.854 -4.395 -13.105 1.00 0.00 H new ATOM 940 N PRO A 58 -7.762 -2.274 -11.135 1.00 0.00 N ATOM 941 CA PRO A 58 -7.495 -1.698 -12.477 1.00 0.00 C ATOM 942 C PRO A 58 -6.024 -1.913 -12.897 1.00 0.00 C ATOM 943 O PRO A 58 -5.167 -2.177 -12.070 1.00 0.00 O ATOM 944 CB PRO A 58 -7.788 -0.206 -12.288 1.00 0.00 C ATOM 945 CG PRO A 58 -7.644 0.087 -10.777 1.00 0.00 C ATOM 946 CD PRO A 58 -7.800 -1.260 -10.053 1.00 0.00 C ATOM 0 HA PRO A 58 -8.097 -2.160 -13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.093 0.401 -12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.792 0.038 -12.636 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.674 0.534 -10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.403 0.796 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.997 -1.418 -9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.738 -1.306 -9.499 1.00 0.00 H new ATOM 954 N SER A 59 -5.731 -1.793 -14.185 1.00 0.00 N ATOM 955 CA SER A 59 -4.316 -1.980 -14.693 1.00 0.00 C ATOM 956 C SER A 59 -3.348 -1.032 -13.955 1.00 0.00 C ATOM 957 O SER A 59 -2.369 -1.482 -13.382 1.00 0.00 O ATOM 958 CB SER A 59 -4.260 -1.708 -16.198 1.00 0.00 C ATOM 959 OG SER A 59 -4.412 -2.939 -16.896 1.00 0.00 O ATOM 0 H SER A 59 -6.415 -1.573 -14.909 1.00 0.00 H new ATOM 0 HA SER A 59 -4.012 -3.009 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.049 -1.012 -16.485 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.311 -1.240 -16.461 1.00 0.00 H new ATOM 0 HG SER A 59 -4.379 -2.774 -17.861 1.00 0.00 H new ATOM 965 N GLN A 60 -3.633 0.259 -13.944 1.00 0.00 N ATOM 966 CA GLN A 60 -2.755 1.247 -13.223 1.00 0.00 C ATOM 967 C GLN A 60 -3.611 2.128 -12.268 1.00 0.00 C ATOM 968 O GLN A 60 -4.830 2.020 -12.238 1.00 0.00 O ATOM 969 CB GLN A 60 -1.990 2.103 -14.257 1.00 0.00 C ATOM 970 CG GLN A 60 -2.916 3.132 -14.936 1.00 0.00 C ATOM 971 CD GLN A 60 -2.273 3.639 -16.232 1.00 0.00 C ATOM 972 OE1 GLN A 60 -2.746 3.348 -17.308 1.00 0.00 O ATOM 973 NE2 GLN A 60 -1.207 4.382 -16.178 1.00 0.00 N ATOM 0 H GLN A 60 -4.443 0.670 -14.408 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.025 0.716 -12.612 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.168 2.622 -13.764 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.549 1.454 -15.014 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.882 2.677 -15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.102 3.968 -14.261 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.804 4.631 -15.275 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.774 4.716 -17.039 1.00 0.00 H new ATOM 982 N GLY A 61 -2.969 2.977 -11.483 1.00 0.00 N ATOM 983 CA GLY A 61 -3.701 3.862 -10.501 1.00 0.00 C ATOM 984 C GLY A 61 -3.266 3.475 -9.085 1.00 0.00 C ATOM 985 O GLY A 61 -4.035 2.885 -8.341 1.00 0.00 O ATOM 0 H GLY A 61 -1.956 3.095 -11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.475 4.911 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.779 3.742 -10.613 1.00 0.00 H new ATOM 989 N GLY A 62 -2.018 3.770 -8.733 1.00 0.00 N ATOM 990 CA GLY A 62 -1.458 3.399 -7.380 1.00 0.00 C ATOM 991 C GLY A 62 -1.709 1.908 -7.112 1.00 0.00 C ATOM 992 O GLY A 62 -1.256 1.075 -7.873 1.00 0.00 O ATOM 0 H GLY A 62 -1.359 4.259 -9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.389 3.610 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.927 4.003 -6.603 1.00 0.00 H new ATOM 996 N GLN A 63 -2.416 1.560 -6.034 1.00 0.00 N ATOM 997 CA GLN A 63 -2.717 0.102 -5.668 1.00 0.00 C ATOM 998 C GLN A 63 -1.441 -0.620 -5.181 1.00 0.00 C ATOM 999 O GLN A 63 -1.434 -1.236 -4.132 1.00 0.00 O ATOM 1000 CB GLN A 63 -3.457 -0.626 -6.838 1.00 0.00 C ATOM 1001 CG GLN A 63 -3.098 -2.135 -6.940 1.00 0.00 C ATOM 1002 CD GLN A 63 -2.302 -2.463 -8.224 1.00 0.00 C ATOM 1003 OE1 GLN A 63 -2.380 -3.564 -8.717 1.00 0.00 O ATOM 1004 NE2 GLN A 63 -1.530 -1.581 -8.798 1.00 0.00 N ATOM 0 H GLN A 63 -2.806 2.237 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.407 0.079 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.533 -0.523 -6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.208 -0.135 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.513 -2.427 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.014 -2.726 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.445 -0.644 -8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.012 -1.829 -9.641 1.00 0.00 H new ATOM 1013 N THR A 64 -0.374 -0.487 -5.908 1.00 0.00 N ATOM 1014 CA THR A 64 0.948 -1.075 -5.517 1.00 0.00 C ATOM 1015 C THR A 64 1.696 -0.111 -4.526 1.00 0.00 C ATOM 1016 O THR A 64 2.871 -0.298 -4.245 1.00 0.00 O ATOM 1017 CB THR A 64 1.791 -1.359 -6.797 1.00 0.00 C ATOM 1018 OG1 THR A 64 3.067 -1.890 -6.443 1.00 0.00 O ATOM 1019 CG2 THR A 64 1.979 -0.084 -7.633 1.00 0.00 C ATOM 0 H THR A 64 -0.355 0.023 -6.791 1.00 0.00 H new ATOM 0 HA THR A 64 0.793 -2.021 -4.998 1.00 0.00 H new ATOM 0 HB THR A 64 1.248 -2.090 -7.396 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.297 -1.610 -5.532 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.571 -0.314 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.005 0.299 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.495 0.669 -7.037 1.00 0.00 H new ATOM 1027 N HIS A 65 1.011 0.905 -3.976 1.00 0.00 N ATOM 1028 CA HIS A 65 1.646 1.865 -2.990 1.00 0.00 C ATOM 1029 C HIS A 65 0.545 2.574 -2.169 1.00 0.00 C ATOM 1030 O HIS A 65 0.533 2.482 -0.957 1.00 0.00 O ATOM 1031 CB HIS A 65 2.505 2.969 -3.660 1.00 0.00 C ATOM 1032 CG HIS A 65 2.504 2.911 -5.150 1.00 0.00 C ATOM 1033 ND1 HIS A 65 3.634 2.597 -5.871 1.00 0.00 N ATOM 1034 CD2 HIS A 65 1.533 3.179 -6.056 1.00 0.00 C ATOM 1035 CE1 HIS A 65 3.315 2.691 -7.169 1.00 0.00 C ATOM 1036 NE2 HIS A 65 2.040 3.043 -7.341 1.00 0.00 N ATOM 0 H HIS A 65 0.031 1.101 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 65 2.300 1.257 -2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.137 3.945 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.531 2.884 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.518 3.457 -5.815 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.006 2.504 -7.978 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.546 3.182 -8.223 1.00 0.00 H new ATOM 1044 N GLN A 66 -0.358 3.306 -2.832 1.00 0.00 N ATOM 1045 CA GLN A 66 -1.459 4.062 -2.113 1.00 0.00 C ATOM 1046 C GLN A 66 -2.278 4.903 -3.133 1.00 0.00 C ATOM 1047 O GLN A 66 -1.749 5.811 -3.743 1.00 0.00 O ATOM 1048 CB GLN A 66 -0.811 4.981 -1.052 1.00 0.00 C ATOM 1049 CG GLN A 66 -1.734 6.148 -0.682 1.00 0.00 C ATOM 1050 CD GLN A 66 -1.342 6.689 0.689 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -2.116 6.633 1.622 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -0.166 7.214 0.856 1.00 0.00 N ATOM 0 H GLN A 66 -0.372 3.407 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.138 3.363 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.580 4.401 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.134 5.369 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.660 6.936 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.772 5.816 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.487 7.262 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.105 7.578 1.770 1.00 0.00 H new ATOM 1061 N ASP A 67 -3.551 4.596 -3.330 1.00 0.00 N ATOM 1062 CA ASP A 67 -4.368 5.364 -4.328 1.00 0.00 C ATOM 1063 C ASP A 67 -5.908 5.481 -4.036 1.00 0.00 C ATOM 1064 O ASP A 67 -6.407 6.587 -4.131 1.00 0.00 O ATOM 1065 CB ASP A 67 -4.159 4.694 -5.667 1.00 0.00 C ATOM 1066 CG ASP A 67 -4.052 5.759 -6.760 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -2.962 6.274 -6.943 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -5.058 6.048 -7.375 1.00 0.00 O ATOM 0 H ASP A 67 -4.050 3.851 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.020 6.396 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.253 4.088 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.988 4.020 -5.881 1.00 0.00 H new ATOM 1073 N PRO A 68 -6.658 4.385 -3.738 1.00 0.00 N ATOM 1074 CA PRO A 68 -8.153 4.464 -3.519 1.00 0.00 C ATOM 1075 C PRO A 68 -8.606 5.195 -2.213 1.00 0.00 C ATOM 1076 O PRO A 68 -9.625 4.858 -1.629 1.00 0.00 O ATOM 1077 CB PRO A 68 -8.591 2.999 -3.506 1.00 0.00 C ATOM 1078 CG PRO A 68 -7.348 2.190 -3.129 1.00 0.00 C ATOM 1079 CD PRO A 68 -6.137 3.005 -3.589 1.00 0.00 C ATOM 0 HA PRO A 68 -8.613 5.070 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.394 2.838 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.972 2.697 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.311 2.015 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.362 1.212 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.328 2.962 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.738 2.627 -4.530 1.00 0.00 H new ATOM 1087 N ILE A 69 -7.883 6.206 -1.797 1.00 0.00 N ATOM 1088 CA ILE A 69 -8.233 7.024 -0.593 1.00 0.00 C ATOM 1089 C ILE A 69 -9.526 7.880 -0.880 1.00 0.00 C ATOM 1090 O ILE A 69 -10.096 7.768 -1.960 1.00 0.00 O ATOM 1091 CB ILE A 69 -6.997 7.881 -0.243 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -6.796 8.989 -1.272 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -5.726 7.009 -0.182 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -6.846 10.313 -0.537 1.00 0.00 C ATOM 0 H ILE A 69 -7.028 6.510 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.476 6.400 0.267 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.173 8.328 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.840 8.870 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.571 8.946 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.868 7.634 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.848 6.241 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.563 6.536 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.705 11.128 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.814 10.421 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.055 10.343 0.212 1.00 0.00 H new ATOM 1106 N PRO A 70 -9.998 8.679 0.085 1.00 0.00 N ATOM 1107 CA PRO A 70 -11.248 9.463 -0.090 1.00 0.00 C ATOM 1108 C PRO A 70 -11.107 10.653 -1.072 1.00 0.00 C ATOM 1109 O PRO A 70 -10.477 11.657 -0.777 1.00 0.00 O ATOM 1110 CB PRO A 70 -11.603 9.915 1.333 1.00 0.00 C ATOM 1111 CG PRO A 70 -10.300 9.847 2.155 1.00 0.00 C ATOM 1112 CD PRO A 70 -9.351 8.897 1.403 1.00 0.00 C ATOM 0 HA PRO A 70 -12.033 8.864 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.006 10.928 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.368 9.270 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.855 10.837 2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.497 9.480 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.360 9.336 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.223 7.958 1.941 1.00 0.00 H new ATOM 1120 N LYS A 71 -11.748 10.522 -2.229 1.00 0.00 N ATOM 1121 CA LYS A 71 -11.771 11.592 -3.299 1.00 0.00 C ATOM 1122 C LYS A 71 -10.350 12.094 -3.677 1.00 0.00 C ATOM 1123 O LYS A 71 -10.085 13.289 -3.693 1.00 0.00 O ATOM 1124 CB LYS A 71 -12.657 12.761 -2.818 1.00 0.00 C ATOM 1125 CG LYS A 71 -14.113 12.288 -2.645 1.00 0.00 C ATOM 1126 CD LYS A 71 -14.985 12.846 -3.779 1.00 0.00 C ATOM 1127 CE LYS A 71 -15.528 14.229 -3.392 1.00 0.00 C ATOM 1128 NZ LYS A 71 -16.781 14.071 -2.584 1.00 0.00 N ATOM 0 H LYS A 71 -12.274 9.685 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.187 11.155 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.278 13.149 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.615 13.579 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.153 11.199 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.500 12.619 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.400 12.919 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.812 12.165 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.780 14.777 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.733 14.814 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.147 15.009 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.495 13.565 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.572 13.529 -1.721 1.00 0.00 H new ATOM 1142 N GLN A 72 -9.447 11.189 -4.004 1.00 0.00 N ATOM 1143 CA GLN A 72 -8.053 11.600 -4.401 1.00 0.00 C ATOM 1144 C GLN A 72 -7.402 10.493 -5.270 1.00 0.00 C ATOM 1145 O GLN A 72 -6.782 9.585 -4.741 1.00 0.00 O ATOM 1146 CB GLN A 72 -7.223 11.840 -3.132 1.00 0.00 C ATOM 1147 CG GLN A 72 -6.863 13.325 -2.982 1.00 0.00 C ATOM 1148 CD GLN A 72 -7.151 13.772 -1.544 1.00 0.00 C ATOM 1149 OE1 GLN A 72 -6.252 13.871 -0.734 1.00 0.00 O ATOM 1150 NE2 GLN A 72 -8.371 14.040 -1.183 1.00 0.00 N ATOM 0 H GLN A 72 -9.616 10.183 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.092 12.518 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.784 11.508 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.312 11.243 -3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.811 13.482 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.442 13.924 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.132 13.959 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.567 14.331 -0.225 1.00 0.00 H new ATOM 1159 N PRO A 73 -7.550 10.605 -6.591 1.00 0.00 N ATOM 1160 CA PRO A 73 -6.964 9.621 -7.545 1.00 0.00 C ATOM 1161 C PRO A 73 -5.435 9.841 -7.757 1.00 0.00 C ATOM 1162 O PRO A 73 -4.821 9.144 -8.543 1.00 0.00 O ATOM 1163 CB PRO A 73 -7.739 9.881 -8.843 1.00 0.00 C ATOM 1164 CG PRO A 73 -8.288 11.326 -8.748 1.00 0.00 C ATOM 1165 CD PRO A 73 -8.306 11.698 -7.255 1.00 0.00 C ATOM 0 HA PRO A 73 -7.051 8.596 -7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.089 9.770 -9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.552 9.164 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.659 12.016 -9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.289 11.388 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.838 12.667 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.325 11.764 -6.874 1.00 0.00 H new ATOM 1173 N SER A 74 -4.824 10.805 -7.074 1.00 0.00 N ATOM 1174 CA SER A 74 -3.359 11.070 -7.233 1.00 0.00 C ATOM 1175 C SER A 74 -2.602 10.763 -5.913 1.00 0.00 C ATOM 1176 O SER A 74 -1.699 11.495 -5.532 1.00 0.00 O ATOM 1177 CB SER A 74 -3.159 12.542 -7.641 1.00 0.00 C ATOM 1178 OG SER A 74 -3.787 13.401 -6.685 1.00 0.00 O ATOM 0 H SER A 74 -5.294 11.419 -6.409 1.00 0.00 H new ATOM 0 HA SER A 74 -2.954 10.419 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.095 12.770 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.581 12.715 -8.631 1.00 0.00 H new ATOM 0 HG SER A 74 -3.655 14.336 -6.949 1.00 0.00 H new ATOM 1184 N SER A 75 -2.953 9.670 -5.234 1.00 0.00 N ATOM 1185 CA SER A 75 -2.274 9.245 -3.942 1.00 0.00 C ATOM 1186 C SER A 75 -2.494 10.260 -2.778 1.00 0.00 C ATOM 1187 O SER A 75 -2.560 11.463 -2.973 1.00 0.00 O ATOM 1188 CB SER A 75 -0.757 9.007 -4.184 1.00 0.00 C ATOM 1189 OG SER A 75 0.011 10.186 -3.915 1.00 0.00 O ATOM 0 H SER A 75 -3.700 9.042 -5.532 1.00 0.00 H new ATOM 0 HA SER A 75 -2.741 8.311 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.410 8.193 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.597 8.695 -5.216 1.00 0.00 H new ATOM 0 HG SER A 75 -0.364 10.942 -4.413 1.00 0.00 H new ATOM 1195 N GLN A 76 -2.576 9.756 -1.559 1.00 0.00 N ATOM 1196 CA GLN A 76 -2.752 10.635 -0.344 1.00 0.00 C ATOM 1197 C GLN A 76 -1.355 10.862 0.298 1.00 0.00 C ATOM 1198 O GLN A 76 -0.530 9.962 0.258 1.00 0.00 O ATOM 1199 CB GLN A 76 -3.676 9.909 0.662 1.00 0.00 C ATOM 1200 CG GLN A 76 -4.432 10.921 1.553 1.00 0.00 C ATOM 1201 CD GLN A 76 -3.926 10.864 3.004 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -2.745 10.892 3.259 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -4.785 10.800 3.979 1.00 0.00 N ATOM 0 H GLN A 76 -2.528 8.758 -1.352 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.194 11.593 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.392 9.290 0.122 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.084 9.240 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.300 11.928 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.500 10.706 1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.785 10.776 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.459 10.774 4.945 1.00 0.00 H new ATOM 1212 N PRO A 77 -1.110 12.038 0.884 1.00 0.00 N ATOM 1213 CA PRO A 77 0.191 12.339 1.542 1.00 0.00 C ATOM 1214 C PRO A 77 0.307 11.601 2.908 1.00 0.00 C ATOM 1215 O PRO A 77 0.405 12.206 3.969 1.00 0.00 O ATOM 1216 CB PRO A 77 0.173 13.869 1.690 1.00 0.00 C ATOM 1217 CG PRO A 77 -1.311 14.295 1.644 1.00 0.00 C ATOM 1218 CD PRO A 77 -2.077 13.160 0.945 1.00 0.00 C ATOM 0 HA PRO A 77 1.057 11.998 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.635 14.174 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.738 14.343 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.697 14.460 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.428 15.232 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.971 12.883 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.403 13.457 -0.052 1.00 0.00 H new ATOM 1226 N ARG A 78 0.288 10.283 2.864 1.00 0.00 N ATOM 1227 CA ARG A 78 0.388 9.439 4.094 1.00 0.00 C ATOM 1228 C ARG A 78 1.710 8.624 4.112 1.00 0.00 C ATOM 1229 O ARG A 78 2.198 8.266 5.173 1.00 0.00 O ATOM 1230 CB ARG A 78 -0.811 8.479 4.123 1.00 0.00 C ATOM 1231 CG ARG A 78 -1.151 8.124 5.569 1.00 0.00 C ATOM 1232 CD ARG A 78 -1.948 9.261 6.218 1.00 0.00 C ATOM 1233 NE ARG A 78 -1.439 9.504 7.610 1.00 0.00 N ATOM 1234 CZ ARG A 78 -0.227 9.937 7.814 1.00 0.00 C ATOM 1235 NH1 ARG A 78 0.126 11.110 7.385 1.00 0.00 N ATOM 1236 NH2 ARG A 78 0.618 9.188 8.451 1.00 0.00 N ATOM 0 H ARG A 78 0.205 9.749 1.999 1.00 0.00 H new ATOM 0 HA ARG A 78 0.384 10.087 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.672 8.942 3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.579 7.574 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.730 7.201 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.235 7.944 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.855 10.169 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.007 9.005 6.247 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.051 9.328 8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.546 11.694 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.075 11.447 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.332 8.269 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.569 9.518 8.616 1.00 0.00 H new ATOM 1250 N GLY A 79 2.283 8.325 2.954 1.00 0.00 N ATOM 1251 CA GLY A 79 3.562 7.537 2.892 1.00 0.00 C ATOM 1252 C GLY A 79 4.121 7.575 1.464 1.00 0.00 C ATOM 1253 O GLY A 79 5.136 8.197 1.216 1.00 0.00 O ATOM 0 H GLY A 79 1.910 8.599 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.290 7.951 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.381 6.506 3.195 1.00 0.00 H new ATOM 1257 N ASP A 80 3.454 6.919 0.529 1.00 0.00 N ATOM 1258 CA ASP A 80 3.922 6.913 -0.893 1.00 0.00 C ATOM 1259 C ASP A 80 3.120 7.961 -1.723 1.00 0.00 C ATOM 1260 O ASP A 80 1.900 7.882 -1.788 1.00 0.00 O ATOM 1261 CB ASP A 80 3.732 5.502 -1.477 1.00 0.00 C ATOM 1262 CG ASP A 80 4.275 5.458 -2.903 1.00 0.00 C ATOM 1263 OD1 ASP A 80 3.555 5.847 -3.796 1.00 0.00 O ATOM 1264 OD2 ASP A 80 5.399 5.038 -3.085 1.00 0.00 O ATOM 0 H ASP A 80 2.601 6.386 0.699 1.00 0.00 H new ATOM 0 HA ASP A 80 4.978 7.180 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.249 4.769 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.675 5.235 -1.472 1.00 0.00 H new ATOM 1269 N PRO A 81 3.829 8.917 -2.334 1.00 0.00 N ATOM 1270 CA PRO A 81 3.206 9.988 -3.167 1.00 0.00 C ATOM 1271 C PRO A 81 2.951 9.537 -4.644 1.00 0.00 C ATOM 1272 O PRO A 81 3.316 10.235 -5.580 1.00 0.00 O ATOM 1273 CB PRO A 81 4.261 11.109 -3.113 1.00 0.00 C ATOM 1274 CG PRO A 81 5.618 10.429 -2.801 1.00 0.00 C ATOM 1275 CD PRO A 81 5.305 9.039 -2.225 1.00 0.00 C ATOM 0 HA PRO A 81 2.222 10.279 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.306 11.644 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.009 11.841 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.223 10.345 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.191 11.022 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.811 8.253 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.635 8.954 -1.190 1.00 0.00 H new ATOM 1283 N THR A 82 2.329 8.386 -4.864 1.00 0.00 N ATOM 1284 CA THR A 82 2.036 7.873 -6.265 1.00 0.00 C ATOM 1285 C THR A 82 0.899 8.676 -6.955 1.00 0.00 C ATOM 1286 O THR A 82 -0.106 8.133 -7.385 1.00 0.00 O ATOM 1287 CB THR A 82 1.717 6.355 -6.233 1.00 0.00 C ATOM 1288 OG1 THR A 82 1.358 5.905 -7.531 1.00 0.00 O ATOM 1289 CG2 THR A 82 0.582 6.041 -5.253 1.00 0.00 C ATOM 0 H THR A 82 2.006 7.769 -4.119 1.00 0.00 H new ATOM 0 HA THR A 82 2.934 8.023 -6.865 1.00 0.00 H new ATOM 0 HB THR A 82 2.614 5.835 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.616 6.447 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.385 4.969 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.871 6.354 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.318 6.576 -5.555 1.00 0.00 H new ATOM 1297 N GLY A 83 1.077 9.966 -7.087 1.00 0.00 N ATOM 1298 CA GLY A 83 0.069 10.833 -7.761 1.00 0.00 C ATOM 1299 C GLY A 83 0.495 11.053 -9.212 1.00 0.00 C ATOM 1300 O GLY A 83 -0.203 10.635 -10.113 1.00 0.00 O ATOM 0 H GLY A 83 1.900 10.464 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.915 10.366 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.012 11.789 -7.243 1.00 0.00 H new ATOM 1304 N PRO A 84 1.641 11.698 -9.406 1.00 0.00 N ATOM 1305 CA PRO A 84 2.196 11.974 -10.738 1.00 0.00 C ATOM 1306 C PRO A 84 3.401 11.016 -10.948 1.00 0.00 C ATOM 1307 O PRO A 84 4.378 11.376 -11.589 1.00 0.00 O ATOM 1308 CB PRO A 84 2.713 13.416 -10.538 1.00 0.00 C ATOM 1309 CG PRO A 84 2.990 13.567 -9.004 1.00 0.00 C ATOM 1310 CD PRO A 84 2.518 12.254 -8.353 1.00 0.00 C ATOM 0 HA PRO A 84 1.513 11.854 -11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.620 13.589 -11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.976 14.145 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.050 13.737 -8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.452 14.421 -8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.350 11.590 -8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.980 12.429 -7.422 1.00 0.00 H new ATOM 1318 N LYS A 85 3.379 9.839 -10.315 1.00 0.00 N ATOM 1319 CA LYS A 85 4.559 8.942 -10.368 1.00 0.00 C ATOM 1320 C LYS A 85 4.218 7.429 -10.550 1.00 0.00 C ATOM 1321 O LYS A 85 4.935 6.769 -11.278 1.00 0.00 O ATOM 1322 CB LYS A 85 5.369 9.234 -9.073 1.00 0.00 C ATOM 1323 CG LYS A 85 4.818 8.506 -7.864 1.00 0.00 C ATOM 1324 CD LYS A 85 5.915 7.687 -7.201 1.00 0.00 C ATOM 1325 CE LYS A 85 5.333 7.038 -5.953 1.00 0.00 C ATOM 1326 NZ LYS A 85 5.303 5.551 -6.114 1.00 0.00 N ATOM 0 H LYS A 85 2.590 9.485 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 85 5.146 9.152 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.408 8.942 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.364 10.307 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.409 9.224 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.998 7.854 -8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.289 6.926 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.760 8.324 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.931 7.305 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.325 7.413 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.596 5.146 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.052 5.313 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.240 5.159 -5.892 1.00 0.00 H new ATOM 1340 N GLU A 86 3.175 6.868 -9.901 1.00 0.00 N ATOM 1341 CA GLU A 86 2.867 5.381 -10.061 1.00 0.00 C ATOM 1342 C GLU A 86 4.113 4.516 -9.662 1.00 0.00 C ATOM 1343 O GLU A 86 4.294 3.436 -10.211 1.00 0.00 O ATOM 1344 CB GLU A 86 2.413 5.106 -11.520 1.00 0.00 C ATOM 1345 CG GLU A 86 1.241 4.102 -11.523 1.00 0.00 C ATOM 1346 CD GLU A 86 0.035 4.690 -12.262 1.00 0.00 C ATOM 1347 OE1 GLU A 86 0.024 4.647 -13.482 1.00 0.00 O ATOM 1348 OE2 GLU A 86 -0.870 5.152 -11.594 1.00 0.00 O ATOM 1349 OXT GLU A 86 4.853 4.937 -8.778 1.00 0.00 O ATOM 0 H GLU A 86 2.541 7.373 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 86 2.055 5.098 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.107 6.037 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.245 4.709 -12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.551 3.173 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.963 3.855 -10.498 1.00 0.00 H new