USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 811 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= -0.575 USER MOD Set 2.1: A 52 LYS NZ :NH3+ -120:sc= 0.00293 (180deg=-0.0894) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.9!) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.0406 (180deg=-0.288) USER MOD Single : A 24 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.1!) USER MOD Single : A 25 ASN : amide:sc= -0.0131 K(o=-0.013,f=-4.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00426) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.0598 (180deg=-0.425) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0661 K(o=-0.066,f=-2.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -2:sc= 0.86 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl -169:sc= -0.24 (180deg=-0.595) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 105 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.6!) USER MOD Single : A 107 LYS NZ :NH3+ -118:sc=-0.00659 (180deg=-1.57!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.34 K(o=-3.3,f=-5.3!) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 1.058 -6.271 -13.777 1.00 0.00 N ATOM 2 CA ALA A 21 0.548 -4.886 -13.952 1.00 0.00 C ATOM 3 C ALA A 21 1.680 -3.870 -13.852 1.00 0.00 C ATOM 4 O ALA A 21 1.523 -2.807 -13.243 1.00 0.00 O ATOM 5 CB ALA A 21 -0.521 -4.590 -12.903 1.00 0.00 C ATOM 0 HA ALA A 21 0.108 -4.804 -14.946 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.891 -3.573 -13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.346 -5.294 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.091 -4.691 -11.907 1.00 0.00 H new ATOM 13 N MET A 22 2.822 -4.204 -14.435 1.00 0.00 N ATOM 14 CA MET A 22 3.982 -3.320 -14.420 1.00 0.00 C ATOM 15 C MET A 22 4.449 -3.074 -12.982 1.00 0.00 C ATOM 16 O MET A 22 3.953 -3.693 -12.048 1.00 0.00 O ATOM 17 CB MET A 22 3.647 -1.989 -15.100 1.00 0.00 C ATOM 18 CG MET A 22 4.174 -1.883 -16.514 1.00 0.00 C ATOM 19 SD MET A 22 5.745 -1.004 -16.609 1.00 0.00 S ATOM 20 CE MET A 22 5.216 0.672 -16.272 1.00 0.00 C ATOM 0 H MET A 22 2.972 -5.085 -14.927 1.00 0.00 H new ATOM 0 HA MET A 22 4.789 -3.802 -14.972 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.565 -1.860 -15.114 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.058 -1.173 -14.506 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.297 -2.884 -16.927 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.438 -1.371 -17.134 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.970 1.371 -16.634 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.270 0.864 -16.778 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.086 0.803 -15.198 1.00 0.00 H new ATOM 30 N ALA A 23 5.408 -2.166 -12.825 1.00 0.00 N ATOM 31 CA ALA A 23 5.941 -1.837 -11.510 1.00 0.00 C ATOM 32 C ALA A 23 6.888 -0.646 -11.585 1.00 0.00 C ATOM 33 O ALA A 23 7.372 -0.290 -12.668 1.00 0.00 O ATOM 34 CB ALA A 23 6.651 -3.043 -10.920 1.00 0.00 C ATOM 0 H ALA A 23 5.831 -1.646 -13.594 1.00 0.00 H new ATOM 0 HA ALA A 23 5.109 -1.563 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.046 -2.788 -9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.946 -3.869 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.471 -3.339 -11.575 1.00 0.00 H new ATOM 40 N GLN A 24 7.149 -0.030 -10.437 1.00 0.00 N ATOM 41 CA GLN A 24 8.038 1.125 -10.373 1.00 0.00 C ATOM 42 C GLN A 24 9.030 0.990 -9.225 1.00 0.00 C ATOM 43 O GLN A 24 8.808 0.231 -8.282 1.00 0.00 O ATOM 44 CB GLN A 24 7.242 2.425 -10.218 1.00 0.00 C ATOM 45 CG GLN A 24 5.921 2.269 -9.484 1.00 0.00 C ATOM 46 CD GLN A 24 4.875 3.266 -9.935 1.00 0.00 C ATOM 47 OE1 GLN A 24 4.871 4.420 -9.516 1.00 0.00 O ATOM 48 NE2 GLN A 24 3.981 2.824 -10.820 1.00 0.00 N ATOM 0 H GLN A 24 6.758 -0.311 -9.538 1.00 0.00 H new ATOM 0 HA GLN A 24 8.591 1.162 -11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.856 3.151 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.047 2.837 -11.208 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.543 1.258 -9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.090 2.386 -8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.018 1.857 -11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.260 3.453 -11.174 1.00 0.00 H new ATOM 57 N ASN A 25 10.126 1.733 -9.324 1.00 0.00 N ATOM 58 CA ASN A 25 11.159 1.703 -8.287 1.00 0.00 C ATOM 59 C ASN A 25 11.193 3.015 -7.509 1.00 0.00 C ATOM 60 O ASN A 25 11.590 4.052 -8.039 1.00 0.00 O ATOM 61 CB ASN A 25 12.528 1.436 -8.919 1.00 0.00 C ATOM 62 CG ASN A 25 12.795 2.323 -10.118 1.00 0.00 C ATOM 63 OD1 ASN A 25 11.986 2.397 -11.042 1.00 0.00 O ATOM 64 ND2 ASN A 25 13.937 3.002 -10.109 1.00 0.00 N ATOM 0 H ASN A 25 10.325 2.360 -10.104 1.00 0.00 H new ATOM 0 HA ASN A 25 10.919 0.899 -7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.307 1.595 -8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.587 0.391 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.172 3.615 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.579 2.910 -9.321 1.00 0.00 H new ATOM 71 N ILE A 26 10.772 2.960 -6.250 1.00 0.00 N ATOM 72 CA ILE A 26 10.754 4.142 -5.398 1.00 0.00 C ATOM 73 C ILE A 26 11.772 4.022 -4.269 1.00 0.00 C ATOM 74 O ILE A 26 11.869 2.984 -3.614 1.00 0.00 O ATOM 75 CB ILE A 26 9.357 4.377 -4.800 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.283 4.309 -5.882 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.310 5.717 -4.074 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.199 3.293 -5.599 1.00 0.00 C ATOM 0 H ILE A 26 10.439 2.109 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 26 11.018 4.993 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 26 9.155 3.586 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.827 5.293 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.754 4.069 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.315 5.870 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.046 5.721 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.535 6.519 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.472 3.301 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.642 2.300 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.701 3.544 -4.663 1.00 0.00 H new ATOM 90 N THR A 27 12.529 5.092 -4.047 1.00 0.00 N ATOM 91 CA THR A 27 13.543 5.105 -2.998 1.00 0.00 C ATOM 92 C THR A 27 12.981 5.684 -1.703 1.00 0.00 C ATOM 93 O THR A 27 12.259 6.681 -1.718 1.00 0.00 O ATOM 94 CB THR A 27 14.761 5.913 -3.447 1.00 0.00 C ATOM 95 OG1 THR A 27 14.399 6.863 -4.434 1.00 0.00 O ATOM 96 CG2 THR A 27 15.869 5.054 -4.021 1.00 0.00 C ATOM 0 H THR A 27 12.460 5.960 -4.578 1.00 0.00 H new ATOM 0 HA THR A 27 13.848 4.076 -2.810 1.00 0.00 H new ATOM 0 HB THR A 27 15.131 6.403 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.192 7.370 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.703 5.688 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.206 4.343 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.496 4.512 -4.890 1.00 0.00 H new ATOM 104 N ALA A 28 13.320 5.049 -0.587 1.00 0.00 N ATOM 105 CA ALA A 28 12.854 5.495 0.705 1.00 0.00 C ATOM 106 C ALA A 28 13.991 5.483 1.721 1.00 0.00 C ATOM 107 O ALA A 28 15.022 4.848 1.512 1.00 0.00 O ATOM 108 CB ALA A 28 11.705 4.620 1.192 1.00 0.00 C ATOM 0 H ALA A 28 13.917 4.223 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 28 12.493 6.518 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.368 4.972 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.880 4.674 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.044 3.588 1.276 1.00 0.00 H new ATOM 114 N ARG A 29 13.798 6.192 2.829 1.00 0.00 N ATOM 115 CA ARG A 29 14.811 6.262 3.877 1.00 0.00 C ATOM 116 C ARG A 29 14.284 5.690 5.189 1.00 0.00 C ATOM 117 O ARG A 29 13.166 5.995 5.607 1.00 0.00 O ATOM 118 CB ARG A 29 15.261 7.709 4.083 1.00 0.00 C ATOM 119 CG ARG A 29 16.458 7.848 5.010 1.00 0.00 C ATOM 120 CD ARG A 29 16.465 9.196 5.720 1.00 0.00 C ATOM 121 NE ARG A 29 16.923 9.092 7.095 1.00 0.00 N ATOM 122 CZ ARG A 29 18.185 8.847 7.442 1.00 0.00 C ATOM 123 NH1 ARG A 29 19.116 8.682 6.510 1.00 0.00 N ATOM 124 NH2 ARG A 29 18.518 8.767 8.723 1.00 0.00 N ATOM 0 H ARG A 29 12.951 6.725 3.024 1.00 0.00 H new ATOM 0 HA ARG A 29 15.665 5.663 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.509 8.145 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.429 8.285 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.441 7.047 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.378 7.733 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.109 9.887 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.460 9.617 5.705 1.00 0.00 H new ATOM 0 HE ARG A 29 16.236 9.214 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.866 8.743 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.081 8.495 6.781 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.807 8.893 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.485 8.579 8.988 1.00 0.00 H new ATOM 138 N ILE A 30 15.096 4.857 5.834 1.00 0.00 N ATOM 139 CA ILE A 30 14.712 4.241 7.108 1.00 0.00 C ATOM 140 C ILE A 30 14.394 5.295 8.155 1.00 0.00 C ATOM 141 O ILE A 30 15.218 6.161 8.450 1.00 0.00 O ATOM 142 CB ILE A 30 15.817 3.309 7.643 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.200 3.933 7.438 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.739 1.948 6.976 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.116 3.774 8.631 1.00 0.00 C ATOM 0 H ILE A 30 16.022 4.591 5.500 1.00 0.00 H new ATOM 0 HA ILE A 30 13.818 3.649 6.913 1.00 0.00 H new ATOM 0 HB ILE A 30 15.660 3.175 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.670 3.478 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.082 4.994 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.527 1.305 7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.768 1.497 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.865 2.063 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.078 4.239 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.667 4.254 9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.264 2.714 8.837 1.00 0.00 H new ATOM 157 N GLY A 31 13.194 5.214 8.722 1.00 0.00 N ATOM 158 CA GLY A 31 12.786 6.166 9.739 1.00 0.00 C ATOM 159 C GLY A 31 12.213 7.445 9.153 1.00 0.00 C ATOM 160 O GLY A 31 11.726 8.304 9.889 1.00 0.00 O ATOM 0 H GLY A 31 12.496 4.505 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.041 5.703 10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.644 6.411 10.365 1.00 0.00 H new ATOM 164 N GLU A 32 12.268 7.575 7.831 1.00 0.00 N ATOM 165 CA GLU A 32 11.748 8.762 7.159 1.00 0.00 C ATOM 166 C GLU A 32 10.333 8.517 6.644 1.00 0.00 C ATOM 167 O GLU A 32 10.076 7.504 5.986 1.00 0.00 O ATOM 168 CB GLU A 32 12.666 9.163 6.012 1.00 0.00 C ATOM 169 CG GLU A 32 12.603 10.642 5.662 1.00 0.00 C ATOM 170 CD GLU A 32 13.742 11.433 6.275 1.00 0.00 C ATOM 171 OE1 GLU A 32 13.651 11.774 7.480 1.00 0.00 O ATOM 172 OE2 GLU A 32 14.726 11.710 5.557 1.00 0.00 O ATOM 0 H GLU A 32 12.666 6.875 7.205 1.00 0.00 H new ATOM 0 HA GLU A 32 11.712 9.577 7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.692 8.905 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.405 8.579 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.627 10.757 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.654 11.053 6.005 1.00 0.00 H new ATOM 179 N PRO A 33 9.390 9.440 6.910 1.00 0.00 N ATOM 180 CA PRO A 33 8.001 9.305 6.457 1.00 0.00 C ATOM 181 C PRO A 33 7.882 9.366 4.937 1.00 0.00 C ATOM 182 O PRO A 33 8.615 10.101 4.277 1.00 0.00 O ATOM 183 CB PRO A 33 7.283 10.506 7.100 1.00 0.00 C ATOM 184 CG PRO A 33 8.208 11.008 8.149 1.00 0.00 C ATOM 185 CD PRO A 33 9.593 10.676 7.679 1.00 0.00 C ATOM 0 HA PRO A 33 7.576 8.342 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.072 11.279 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.327 10.207 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.092 12.083 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.000 10.537 9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.012 11.471 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.278 10.525 8.514 1.00 0.00 H new ATOM 193 N LEU A 34 6.953 8.589 4.396 1.00 0.00 N ATOM 194 CA LEU A 34 6.739 8.559 2.952 1.00 0.00 C ATOM 195 C LEU A 34 5.251 8.496 2.613 1.00 0.00 C ATOM 196 O LEU A 34 4.498 7.742 3.230 1.00 0.00 O ATOM 197 CB LEU A 34 7.462 7.363 2.319 1.00 0.00 C ATOM 198 CG LEU A 34 8.881 7.653 1.822 1.00 0.00 C ATOM 199 CD1 LEU A 34 8.881 8.841 0.871 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.816 7.903 2.995 1.00 0.00 C ATOM 0 H LEU A 34 6.338 7.974 4.930 1.00 0.00 H new ATOM 0 HA LEU A 34 7.150 9.482 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.507 6.556 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.867 7.000 1.481 1.00 0.00 H new ATOM 0 HG LEU A 34 9.241 6.780 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.898 9.032 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.244 8.621 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.501 9.722 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.820 8.107 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.460 8.759 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.839 7.022 3.636 1.00 0.00 H new ATOM 212 N VAL A 35 4.837 9.291 1.640 1.00 0.00 N ATOM 213 CA VAL A 35 3.442 9.329 1.210 1.00 0.00 C ATOM 214 C VAL A 35 3.326 9.094 -0.277 1.00 0.00 C ATOM 215 O VAL A 35 4.157 9.567 -1.060 1.00 0.00 O ATOM 216 CB VAL A 35 2.783 10.674 1.573 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.289 10.637 1.295 1.00 0.00 C ATOM 218 CG2 VAL A 35 3.052 11.019 3.029 1.00 0.00 C ATOM 0 H VAL A 35 5.450 9.925 1.127 1.00 0.00 H new ATOM 0 HA VAL A 35 2.920 8.530 1.736 1.00 0.00 H new ATOM 0 HB VAL A 35 3.222 11.451 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.846 11.597 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.121 10.438 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.828 9.849 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.580 11.972 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.642 10.238 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.127 11.095 3.192 1.00 0.00 H new ATOM 228 N LEU A 36 2.298 8.354 -0.685 1.00 0.00 N ATOM 229 CA LEU A 36 2.093 8.055 -2.098 1.00 0.00 C ATOM 230 C LEU A 36 0.609 7.970 -2.437 1.00 0.00 C ATOM 231 O LEU A 36 -0.219 7.670 -1.577 1.00 0.00 O ATOM 232 CB LEU A 36 2.787 6.742 -2.472 1.00 0.00 C ATOM 233 CG LEU A 36 3.939 6.875 -3.461 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.488 5.503 -3.832 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.479 7.615 -4.716 1.00 0.00 C ATOM 0 H LEU A 36 1.598 7.953 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 36 2.530 8.870 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.163 6.276 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.044 6.064 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 36 4.734 7.450 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.310 5.619 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.849 5.001 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.698 4.906 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.313 7.702 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.668 7.061 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.128 8.610 -4.443 1.00 0.00 H new ATOM 247 N LYS A 37 0.282 8.231 -3.699 1.00 0.00 N ATOM 248 CA LYS A 37 -1.101 8.182 -4.159 1.00 0.00 C ATOM 249 C LYS A 37 -1.360 6.912 -4.963 1.00 0.00 C ATOM 250 O LYS A 37 -0.691 6.650 -5.962 1.00 0.00 O ATOM 251 CB LYS A 37 -1.421 9.412 -5.011 1.00 0.00 C ATOM 252 CG LYS A 37 -1.438 10.711 -4.222 1.00 0.00 C ATOM 253 CD LYS A 37 -0.035 11.269 -4.033 1.00 0.00 C ATOM 254 CE LYS A 37 0.024 12.752 -4.368 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.801 13.561 -3.422 1.00 0.00 N ATOM 0 H LYS A 37 0.957 8.479 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.750 8.177 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.684 9.492 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.392 9.272 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.055 11.445 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.897 10.540 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.283 11.115 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.663 10.723 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.059 13.093 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.329 12.910 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.711 14.570 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.798 13.275 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.469 13.403 -2.449 1.00 0.00 H new ATOM 269 N CYS A 38 -2.336 6.126 -4.519 1.00 0.00 N ATOM 270 CA CYS A 38 -2.682 4.882 -5.197 1.00 0.00 C ATOM 271 C CYS A 38 -4.193 4.761 -5.374 1.00 0.00 C ATOM 272 O CYS A 38 -4.845 3.961 -4.703 1.00 0.00 O ATOM 273 CB CYS A 38 -2.149 3.683 -4.410 1.00 0.00 C ATOM 274 SG CYS A 38 -1.973 2.163 -5.408 1.00 0.00 S ATOM 0 H CYS A 38 -2.900 6.328 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.220 4.893 -6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.179 3.942 -3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.819 3.482 -3.574 1.00 0.00 H new ATOM 279 N LYS A 39 -4.743 5.561 -6.282 1.00 0.00 N ATOM 280 CA LYS A 39 -6.176 5.544 -6.549 1.00 0.00 C ATOM 281 C LYS A 39 -6.519 4.498 -7.605 1.00 0.00 C ATOM 282 O LYS A 39 -5.714 4.206 -8.496 1.00 0.00 O ATOM 283 CB LYS A 39 -6.647 6.924 -7.011 1.00 0.00 C ATOM 284 CG LYS A 39 -5.957 7.410 -8.274 1.00 0.00 C ATOM 285 CD LYS A 39 -6.939 8.070 -9.230 1.00 0.00 C ATOM 286 CE LYS A 39 -7.298 7.148 -10.385 1.00 0.00 C ATOM 287 NZ LYS A 39 -8.316 7.756 -11.287 1.00 0.00 N ATOM 0 H LYS A 39 -4.217 6.229 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.690 5.284 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.723 6.893 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.473 7.644 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.172 8.119 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.473 6.569 -8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.844 8.347 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.506 8.991 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.399 6.916 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.678 6.205 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.533 7.096 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.183 7.955 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.944 8.643 -11.683 1.00 0.00 H new ATOM 301 N GLY A 40 -7.720 3.936 -7.506 1.00 0.00 N ATOM 302 CA GLY A 40 -8.148 2.929 -8.468 1.00 0.00 C ATOM 303 C GLY A 40 -9.508 3.236 -9.064 1.00 0.00 C ATOM 304 O GLY A 40 -9.633 3.434 -10.265 1.00 0.00 O ATOM 0 H GLY A 40 -8.403 4.157 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.411 2.860 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.180 1.955 -7.979 1.00 0.00 H new ATOM 308 N ALA A 41 -10.529 3.277 -8.206 1.00 0.00 N ATOM 309 CA ALA A 41 -11.887 3.562 -8.664 1.00 0.00 C ATOM 310 C ALA A 41 -11.973 4.943 -9.301 1.00 0.00 C ATOM 311 O ALA A 41 -11.267 5.869 -8.899 1.00 0.00 O ATOM 312 CB ALA A 41 -12.859 3.459 -7.491 1.00 0.00 C ATOM 0 H ALA A 41 -10.442 3.118 -7.202 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.157 2.826 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.870 3.672 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.822 2.452 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.579 4.179 -6.722 1.00 0.00 H new ATOM 318 N PRO A 42 -12.841 5.104 -10.315 1.00 0.00 N ATOM 319 CA PRO A 42 -13.012 6.382 -11.013 1.00 0.00 C ATOM 320 C PRO A 42 -13.338 7.525 -10.057 1.00 0.00 C ATOM 321 O PRO A 42 -13.280 7.363 -8.837 1.00 0.00 O ATOM 322 CB PRO A 42 -14.191 6.124 -11.964 1.00 0.00 C ATOM 323 CG PRO A 42 -14.204 4.648 -12.154 1.00 0.00 C ATOM 324 CD PRO A 42 -13.722 4.054 -10.861 1.00 0.00 C ATOM 0 HA PRO A 42 -12.099 6.688 -11.524 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.130 6.477 -11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.057 6.645 -12.912 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.207 4.295 -12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.557 4.356 -12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.549 3.832 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.183 3.120 -11.023 1.00 0.00 H new ATOM 332 N LYS A 43 -13.679 8.680 -10.617 1.00 0.00 N ATOM 333 CA LYS A 43 -14.013 9.852 -9.824 1.00 0.00 C ATOM 334 C LYS A 43 -15.243 9.596 -8.947 1.00 0.00 C ATOM 335 O LYS A 43 -15.480 10.305 -7.969 1.00 0.00 O ATOM 336 CB LYS A 43 -14.259 11.061 -10.728 1.00 0.00 C ATOM 337 CG LYS A 43 -14.213 12.391 -9.992 1.00 0.00 C ATOM 338 CD LYS A 43 -12.927 13.146 -10.274 1.00 0.00 C ATOM 339 CE LYS A 43 -13.101 14.121 -11.427 1.00 0.00 C ATOM 340 NZ LYS A 43 -14.026 15.235 -11.088 1.00 0.00 N ATOM 0 H LYS A 43 -13.731 8.828 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.165 10.063 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.512 11.069 -11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.232 10.954 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.066 13.001 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.305 12.217 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.617 13.688 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.132 12.439 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.129 14.530 -11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.482 13.587 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.817 16.056 -11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.008 14.931 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.901 15.499 -10.090 1.00 0.00 H new ATOM 354 N LYS A 44 -16.021 8.580 -9.316 1.00 0.00 N ATOM 355 CA LYS A 44 -17.226 8.233 -8.561 1.00 0.00 C ATOM 356 C LYS A 44 -16.910 8.031 -7.079 1.00 0.00 C ATOM 357 O LYS A 44 -15.756 7.823 -6.705 1.00 0.00 O ATOM 358 CB LYS A 44 -17.857 6.965 -9.138 1.00 0.00 C ATOM 359 CG LYS A 44 -18.062 7.020 -10.652 1.00 0.00 C ATOM 360 CD LYS A 44 -19.046 5.960 -11.120 1.00 0.00 C ATOM 361 CE LYS A 44 -19.609 6.289 -12.485 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.040 5.411 -13.552 1.00 0.00 N ATOM 0 H LYS A 44 -15.842 7.986 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.931 9.060 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.224 6.111 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.819 6.795 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.427 8.007 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.106 6.878 -11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.549 4.991 -11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.860 5.875 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.693 6.180 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.398 7.332 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.452 5.670 -14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.008 5.534 -13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.263 4.418 -13.340 1.00 0.00 H new ATOM 376 N PRO A 45 -17.937 8.091 -6.211 1.00 0.00 N ATOM 377 CA PRO A 45 -17.761 7.915 -4.766 1.00 0.00 C ATOM 378 C PRO A 45 -16.905 6.697 -4.426 1.00 0.00 C ATOM 379 O PRO A 45 -16.748 5.790 -5.252 1.00 0.00 O ATOM 380 CB PRO A 45 -19.191 7.727 -4.261 1.00 0.00 C ATOM 381 CG PRO A 45 -20.031 8.477 -5.244 1.00 0.00 C ATOM 382 CD PRO A 45 -19.348 8.335 -6.570 1.00 0.00 C ATOM 0 HA PRO A 45 -17.240 8.757 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -19.465 6.673 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.312 8.121 -3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.042 8.072 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -20.118 9.526 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.763 7.509 -7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.458 9.235 -7.176 1.00 0.00 H new ATOM 390 N PRO A 46 -16.336 6.662 -3.216 1.00 0.00 N ATOM 391 CA PRO A 46 -15.490 5.550 -2.762 1.00 0.00 C ATOM 392 C PRO A 46 -16.275 4.255 -2.592 1.00 0.00 C ATOM 393 O PRO A 46 -17.494 4.225 -2.757 1.00 0.00 O ATOM 394 CB PRO A 46 -14.942 6.032 -1.417 1.00 0.00 C ATOM 395 CG PRO A 46 -15.933 7.037 -0.939 1.00 0.00 C ATOM 396 CD PRO A 46 -16.471 7.704 -2.174 1.00 0.00 C ATOM 0 HA PRO A 46 -14.711 5.314 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.844 5.207 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.952 6.475 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.733 6.559 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.464 7.763 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.509 8.010 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.903 8.600 -2.426 1.00 0.00 H new ATOM 404 N GLN A 47 -15.566 3.185 -2.244 1.00 0.00 N ATOM 405 CA GLN A 47 -16.191 1.884 -2.033 1.00 0.00 C ATOM 406 C GLN A 47 -15.213 0.912 -1.384 1.00 0.00 C ATOM 407 O GLN A 47 -14.154 1.314 -0.894 1.00 0.00 O ATOM 408 CB GLN A 47 -16.681 1.317 -3.367 1.00 0.00 C ATOM 409 CG GLN A 47 -18.196 1.261 -3.483 1.00 0.00 C ATOM 410 CD GLN A 47 -18.691 -0.069 -4.018 1.00 0.00 C ATOM 411 OE1 GLN A 47 -18.978 -0.205 -5.207 1.00 0.00 O ATOM 412 NE2 GLN A 47 -18.794 -1.059 -3.138 1.00 0.00 N ATOM 0 H GLN A 47 -14.556 3.194 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.041 2.016 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -16.285 1.927 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -16.277 0.313 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.639 1.442 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.536 2.062 -4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.545 -0.901 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -19.122 -1.977 -3.439 1.00 0.00 H new ATOM 421 N ARG A 48 -15.574 -0.367 -1.368 1.00 0.00 N ATOM 422 CA ARG A 48 -14.728 -1.396 -0.763 1.00 0.00 C ATOM 423 C ARG A 48 -13.321 -1.358 -1.353 1.00 0.00 C ATOM 424 O ARG A 48 -13.133 -0.983 -2.511 1.00 0.00 O ATOM 425 CB ARG A 48 -15.346 -2.780 -0.984 1.00 0.00 C ATOM 426 CG ARG A 48 -15.216 -3.697 0.214 1.00 0.00 C ATOM 427 CD ARG A 48 -15.492 -5.145 -0.141 1.00 0.00 C ATOM 428 NE ARG A 48 -14.268 -5.866 -0.483 1.00 0.00 N ATOM 429 CZ ARG A 48 -13.415 -6.345 0.403 1.00 0.00 C ATOM 430 NH1 ARG A 48 -13.647 -6.185 1.708 1.00 0.00 N ATOM 431 NH2 ARG A 48 -12.324 -6.986 0.006 1.00 0.00 N ATOM 0 H ARG A 48 -16.445 -0.718 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.660 -1.197 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.402 -2.663 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.869 -3.249 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.211 -3.611 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.909 -3.377 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.981 -5.638 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.185 -5.187 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.059 -6.008 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.484 -5.692 2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.988 -6.555 2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.140 -7.111 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.669 -7.354 0.696 1.00 0.00 H new ATOM 445 N LEU A 49 -12.336 -1.747 -0.550 1.00 0.00 N ATOM 446 CA LEU A 49 -10.946 -1.756 -0.995 1.00 0.00 C ATOM 447 C LEU A 49 -10.135 -2.796 -0.229 1.00 0.00 C ATOM 448 O LEU A 49 -10.346 -3.008 0.949 1.00 0.00 O ATOM 449 CB LEU A 49 -10.324 -0.369 -0.813 1.00 0.00 C ATOM 450 CG LEU A 49 -8.839 -0.273 -1.174 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.562 0.996 -1.967 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.981 -0.316 0.066 1.00 0.00 C ATOM 0 H LEU A 49 -12.474 -2.060 0.411 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.930 -2.019 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.878 0.344 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.450 -0.064 0.226 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.586 -1.132 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.502 1.046 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.149 0.986 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.837 1.865 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.930 -0.246 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.239 0.520 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.153 -1.253 0.595 1.00 0.00 H new ATOM 464 N GLU A 50 -9.206 -3.442 -0.926 1.00 0.00 N ATOM 465 CA GLU A 50 -8.360 -4.460 -0.315 1.00 0.00 C ATOM 466 C GLU A 50 -6.886 -4.180 -0.600 1.00 0.00 C ATOM 467 O GLU A 50 -6.524 -3.722 -1.674 1.00 0.00 O ATOM 468 CB GLU A 50 -8.734 -5.846 -0.842 1.00 0.00 C ATOM 469 CG GLU A 50 -8.681 -5.954 -2.358 1.00 0.00 C ATOM 470 CD GLU A 50 -9.955 -6.526 -2.956 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.088 -7.768 -2.992 1.00 0.00 O ATOM 472 OE2 GLU A 50 -10.820 -5.733 -3.375 1.00 0.00 O ATOM 0 H GLU A 50 -9.020 -3.278 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.519 -4.432 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.059 -6.585 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.739 -6.096 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.499 -4.966 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.838 -6.583 -2.643 1.00 0.00 H new ATOM 479 N TRP A 51 -6.039 -4.456 0.379 1.00 0.00 N ATOM 480 CA TRP A 51 -4.606 -4.234 0.241 1.00 0.00 C ATOM 481 C TRP A 51 -3.857 -5.557 0.125 1.00 0.00 C ATOM 482 O TRP A 51 -4.135 -6.504 0.868 1.00 0.00 O ATOM 483 CB TRP A 51 -4.075 -3.434 1.433 1.00 0.00 C ATOM 484 CG TRP A 51 -3.145 -2.328 1.038 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.376 -1.355 0.116 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.834 -2.081 1.561 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.291 -0.518 0.022 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.331 -0.941 0.903 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.038 -2.709 2.522 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.068 -0.421 1.184 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.215 -2.192 2.791 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.689 -1.057 2.122 1.00 0.00 C ATOM 0 H TRP A 51 -6.320 -4.836 1.283 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.439 -3.664 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.917 -3.013 1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.556 -4.110 2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.284 -1.255 -0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.213 0.286 -0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.396 -3.583 3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.299 0.458 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.839 -2.672 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.673 -0.678 2.354 1.00 0.00 H new ATOM 503 N LYS A 52 -2.906 -5.615 -0.786 1.00 0.00 N ATOM 504 CA LYS A 52 -2.116 -6.822 -0.997 1.00 0.00 C ATOM 505 C LYS A 52 -0.681 -6.471 -1.371 1.00 0.00 C ATOM 506 O LYS A 52 -0.442 -5.576 -2.182 1.00 0.00 O ATOM 507 CB LYS A 52 -2.746 -7.683 -2.100 1.00 0.00 C ATOM 508 CG LYS A 52 -3.957 -8.472 -1.632 1.00 0.00 C ATOM 509 CD LYS A 52 -4.395 -9.491 -2.672 1.00 0.00 C ATOM 510 CE LYS A 52 -5.738 -10.107 -2.309 1.00 0.00 C ATOM 511 NZ LYS A 52 -6.859 -9.149 -2.516 1.00 0.00 N ATOM 0 H LYS A 52 -2.657 -4.838 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.104 -7.387 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.039 -7.040 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.996 -8.375 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.721 -8.982 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.779 -7.788 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.464 -9.011 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.643 -10.276 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.905 -10.998 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.721 -10.428 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.350 -8.989 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.483 -8.246 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.528 -9.542 -3.209 1.00 0.00 H new ATOM 525 N LEU A 53 0.274 -7.177 -0.773 1.00 0.00 N ATOM 526 CA LEU A 53 1.685 -6.934 -1.046 1.00 0.00 C ATOM 527 C LEU A 53 2.499 -8.216 -0.913 1.00 0.00 C ATOM 528 O LEU A 53 2.070 -9.174 -0.270 1.00 0.00 O ATOM 529 CB LEU A 53 2.232 -5.868 -0.095 1.00 0.00 C ATOM 530 CG LEU A 53 1.886 -6.080 1.372 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.022 -6.797 2.088 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.586 -4.749 2.035 1.00 0.00 C ATOM 0 H LEU A 53 0.096 -7.920 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 53 1.773 -6.578 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.317 -5.834 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.852 -4.895 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 53 0.996 -6.706 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.758 -6.941 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.192 -7.767 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.930 -6.198 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.340 -4.912 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.460 -4.102 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.742 -4.275 1.534 1.00 0.00 H new ATOM 544 N ASN A 54 3.682 -8.225 -1.522 1.00 0.00 N ATOM 545 CA ASN A 54 4.562 -9.386 -1.471 1.00 0.00 C ATOM 546 C ASN A 54 5.924 -9.008 -0.908 1.00 0.00 C ATOM 547 O ASN A 54 6.590 -8.103 -1.403 1.00 0.00 O ATOM 548 CB ASN A 54 4.730 -9.987 -2.876 1.00 0.00 C ATOM 549 CG ASN A 54 4.983 -11.481 -2.827 1.00 0.00 C ATOM 550 OD1 ASN A 54 5.505 -12.008 -1.852 1.00 0.00 O ATOM 551 ND2 ASN A 54 4.615 -12.173 -3.899 1.00 0.00 N ATOM 0 H ASN A 54 4.052 -7.439 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 54 4.107 -10.128 -0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.834 -9.790 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.559 -9.495 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.764 -13.182 -3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.183 -11.696 -4.690 1.00 0.00 H new ATOM 558 N THR A 55 6.333 -9.706 0.139 1.00 0.00 N ATOM 559 CA THR A 55 7.617 -9.442 0.779 1.00 0.00 C ATOM 560 C THR A 55 8.282 -10.742 1.228 1.00 0.00 C ATOM 561 O THR A 55 7.664 -11.805 1.198 1.00 0.00 O ATOM 562 CB THR A 55 7.433 -8.514 1.992 1.00 0.00 C ATOM 563 OG1 THR A 55 6.124 -7.975 2.011 1.00 0.00 O ATOM 564 CG2 THR A 55 8.407 -7.355 1.998 1.00 0.00 C ATOM 0 H THR A 55 5.796 -10.461 0.566 1.00 0.00 H new ATOM 0 HA THR A 55 8.260 -8.954 0.046 1.00 0.00 H new ATOM 0 HB THR A 55 7.617 -9.133 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.023 -7.388 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.229 -6.735 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.427 -7.737 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.266 -6.757 1.098 1.00 0.00 H new ATOM 572 N GLY A 56 9.545 -10.645 1.621 1.00 0.00 N ATOM 573 CA GLY A 56 10.275 -11.816 2.062 1.00 0.00 C ATOM 574 C GLY A 56 9.771 -12.347 3.389 1.00 0.00 C ATOM 575 O GLY A 56 9.329 -13.493 3.481 1.00 0.00 O ATOM 0 H GLY A 56 10.077 -9.775 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.193 -12.597 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.333 -11.569 2.151 1.00 0.00 H new ATOM 579 N ARG A 57 9.838 -11.511 4.428 1.00 0.00 N ATOM 580 CA ARG A 57 9.386 -11.901 5.750 1.00 0.00 C ATOM 581 C ARG A 57 7.868 -11.796 5.863 1.00 0.00 C ATOM 582 O ARG A 57 7.239 -12.534 6.623 1.00 0.00 O ATOM 583 CB ARG A 57 10.050 -11.024 6.814 1.00 0.00 C ATOM 584 CG ARG A 57 10.404 -11.776 8.087 1.00 0.00 C ATOM 585 CD ARG A 57 11.603 -11.154 8.786 1.00 0.00 C ATOM 586 NE ARG A 57 11.861 -11.774 10.083 1.00 0.00 N ATOM 587 CZ ARG A 57 12.482 -12.940 10.244 1.00 0.00 C ATOM 588 NH1 ARG A 57 12.912 -13.617 9.178 1.00 0.00 N ATOM 589 NH2 ARG A 57 12.676 -13.433 11.453 1.00 0.00 N ATOM 0 H ARG A 57 10.203 -10.560 4.371 1.00 0.00 H new ATOM 0 HA ARG A 57 9.671 -12.941 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.956 -10.585 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.382 -10.200 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.548 -11.775 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.621 -12.817 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.485 -11.256 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.430 -10.086 8.922 1.00 0.00 H new ATOM 0 HE ARG A 57 11.545 -11.282 10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.765 -13.241 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.388 -14.511 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.349 -12.920 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.153 -14.327 11.569 1.00 0.00 H new ATOM 603 N THR A 58 7.284 -10.877 5.099 1.00 0.00 N ATOM 604 CA THR A 58 5.839 -10.677 5.110 1.00 0.00 C ATOM 605 C THR A 58 5.363 -10.189 6.475 1.00 0.00 C ATOM 606 O THR A 58 5.127 -10.985 7.383 1.00 0.00 O ATOM 607 CB THR A 58 5.118 -11.975 4.741 1.00 0.00 C ATOM 608 OG1 THR A 58 5.966 -12.820 3.983 1.00 0.00 O ATOM 609 CG2 THR A 58 3.855 -11.751 3.937 1.00 0.00 C ATOM 0 H THR A 58 7.790 -10.259 4.464 1.00 0.00 H new ATOM 0 HA THR A 58 5.601 -9.914 4.369 1.00 0.00 H new ATOM 0 HB THR A 58 4.847 -12.436 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.489 -13.646 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.394 -12.712 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.159 -11.142 4.514 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.102 -11.237 3.008 1.00 0.00 H new ATOM 617 N GLU A 59 5.222 -8.874 6.610 1.00 0.00 N ATOM 618 CA GLU A 59 4.773 -8.277 7.863 1.00 0.00 C ATOM 619 C GLU A 59 4.175 -6.894 7.625 1.00 0.00 C ATOM 620 O GLU A 59 4.195 -6.038 8.510 1.00 0.00 O ATOM 621 CB GLU A 59 5.936 -8.181 8.860 1.00 0.00 C ATOM 622 CG GLU A 59 7.187 -7.553 8.259 1.00 0.00 C ATOM 623 CD GLU A 59 8.448 -7.958 8.998 1.00 0.00 C ATOM 624 OE1 GLU A 59 8.739 -9.170 9.055 1.00 0.00 O ATOM 625 OE2 GLU A 59 9.145 -7.061 9.519 1.00 0.00 O ATOM 0 H GLU A 59 5.412 -8.202 5.867 1.00 0.00 H new ATOM 0 HA GLU A 59 3.999 -8.920 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.620 -7.594 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.177 -9.179 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.272 -7.847 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.091 -6.467 8.278 1.00 0.00 H new ATOM 632 N ALA A 60 3.649 -6.678 6.423 1.00 0.00 N ATOM 633 CA ALA A 60 3.051 -5.394 6.070 1.00 0.00 C ATOM 634 C ALA A 60 1.667 -5.565 5.449 1.00 0.00 C ATOM 635 O ALA A 60 0.838 -4.657 5.508 1.00 0.00 O ATOM 636 CB ALA A 60 3.963 -4.637 5.117 1.00 0.00 C ATOM 0 H ALA A 60 3.625 -7.374 5.678 1.00 0.00 H new ATOM 0 HA ALA A 60 2.932 -4.821 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.507 -3.681 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.926 -4.463 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.110 -5.224 4.210 1.00 0.00 H new ATOM 642 N TRP A 61 1.427 -6.729 4.868 1.00 0.00 N ATOM 643 CA TRP A 61 0.146 -7.016 4.223 1.00 0.00 C ATOM 644 C TRP A 61 -1.004 -6.866 5.214 1.00 0.00 C ATOM 645 O TRP A 61 -1.095 -7.607 6.193 1.00 0.00 O ATOM 646 CB TRP A 61 0.161 -8.432 3.642 1.00 0.00 C ATOM 647 CG TRP A 61 -1.068 -8.780 2.864 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.128 -7.964 2.577 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.362 -10.041 2.243 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.061 -8.642 1.830 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.614 -9.918 1.613 1.00 0.00 C ATOM 652 CE3 TRP A 61 -0.687 -11.263 2.169 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.204 -10.970 0.924 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.273 -12.306 1.477 1.00 0.00 C ATOM 655 CH2 TRP A 61 -2.520 -12.155 0.859 1.00 0.00 C ATOM 0 H TRP A 61 2.100 -7.494 4.827 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.004 -6.300 3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.032 -8.540 2.995 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.279 -9.147 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.218 -6.935 2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.943 -8.257 1.492 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.275 -11.390 2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.170 -10.857 0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.760 -13.254 1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.950 -12.987 0.322 1.00 0.00 H new ATOM 666 N LYS A 62 -1.880 -5.901 4.950 1.00 0.00 N ATOM 667 CA LYS A 62 -3.027 -5.648 5.814 1.00 0.00 C ATOM 668 C LYS A 62 -4.309 -5.525 4.997 1.00 0.00 C ATOM 669 O LYS A 62 -4.267 -5.387 3.775 1.00 0.00 O ATOM 670 CB LYS A 62 -2.804 -4.372 6.626 1.00 0.00 C ATOM 671 CG LYS A 62 -2.635 -3.131 5.767 1.00 0.00 C ATOM 672 CD LYS A 62 -3.954 -2.400 5.577 1.00 0.00 C ATOM 673 CE LYS A 62 -4.118 -1.906 4.156 1.00 0.00 C ATOM 674 NZ LYS A 62 -3.997 -0.425 4.053 1.00 0.00 N ATOM 0 H LYS A 62 -1.817 -5.281 4.143 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.132 -6.493 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.649 -4.226 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.918 -4.497 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.911 -2.462 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.231 -3.413 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.779 -3.066 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.005 -1.556 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.365 -2.374 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.092 -2.216 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.133 -0.133 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.721 0.025 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.052 -0.131 4.373 1.00 0.00 H new ATOM 688 N VAL A 63 -5.449 -5.575 5.688 1.00 0.00 N ATOM 689 CA VAL A 63 -6.744 -5.467 5.017 1.00 0.00 C ATOM 690 C VAL A 63 -7.494 -4.219 5.484 1.00 0.00 C ATOM 691 O VAL A 63 -7.257 -3.709 6.571 1.00 0.00 O ATOM 692 CB VAL A 63 -7.616 -6.711 5.282 1.00 0.00 C ATOM 693 CG1 VAL A 63 -7.885 -6.873 6.780 1.00 0.00 C ATOM 694 CG2 VAL A 63 -8.920 -6.627 4.502 1.00 0.00 C ATOM 0 H VAL A 63 -5.502 -5.688 6.700 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.549 -5.393 3.947 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.072 -7.591 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.502 -7.756 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.939 -6.987 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.406 -5.991 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.521 -7.514 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.471 -5.738 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.703 -6.569 3.435 1.00 0.00 H new ATOM 704 N LEU A 64 -8.398 -3.734 4.630 1.00 0.00 N ATOM 705 CA LEU A 64 -9.181 -2.545 4.956 1.00 0.00 C ATOM 706 C LEU A 64 -10.529 -2.927 5.555 1.00 0.00 C ATOM 707 O LEU A 64 -11.179 -3.870 5.112 1.00 0.00 O ATOM 708 CB LEU A 64 -9.395 -1.697 3.691 1.00 0.00 C ATOM 709 CG LEU A 64 -8.549 -0.424 3.624 1.00 0.00 C ATOM 710 CD1 LEU A 64 -8.724 0.409 4.884 1.00 0.00 C ATOM 711 CD2 LEU A 64 -7.082 -0.771 3.403 1.00 0.00 C ATOM 0 H LEU A 64 -8.603 -4.142 3.718 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.629 -1.964 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.174 -2.310 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.448 -1.421 3.629 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.892 0.172 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.113 1.309 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.772 0.690 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.413 -0.173 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.494 0.146 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.726 -1.390 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.975 -1.318 2.466 1.00 0.00 H new ATOM 723 N SER A 65 -10.941 -2.189 6.581 1.00 0.00 N ATOM 724 CA SER A 65 -12.212 -2.448 7.249 1.00 0.00 C ATOM 725 C SER A 65 -13.024 -1.163 7.389 1.00 0.00 C ATOM 726 O SER A 65 -12.465 -0.067 7.430 1.00 0.00 O ATOM 727 CB SER A 65 -11.971 -3.067 8.627 1.00 0.00 C ATOM 728 OG SER A 65 -11.319 -4.320 8.517 1.00 0.00 O ATOM 0 H SER A 65 -10.413 -1.407 6.968 1.00 0.00 H new ATOM 0 HA SER A 65 -12.779 -3.150 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.367 -2.391 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.922 -3.193 9.144 1.00 0.00 H new ATOM 0 HG SER A 65 -11.175 -4.694 9.412 1.00 0.00 H new ATOM 734 N PRO A 66 -14.361 -1.282 7.466 1.00 0.00 N ATOM 735 CA PRO A 66 -15.250 -0.124 7.603 1.00 0.00 C ATOM 736 C PRO A 66 -15.215 0.476 9.006 1.00 0.00 C ATOM 737 O PRO A 66 -16.238 0.550 9.687 1.00 0.00 O ATOM 738 CB PRO A 66 -16.631 -0.709 7.312 1.00 0.00 C ATOM 739 CG PRO A 66 -16.529 -2.137 7.711 1.00 0.00 C ATOM 740 CD PRO A 66 -15.110 -2.553 7.432 1.00 0.00 C ATOM 0 HA PRO A 66 -14.963 0.691 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.406 -0.194 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.889 -0.610 6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.771 -2.264 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.232 -2.750 7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.743 -3.254 8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.020 -3.045 6.464 1.00 0.00 H new ATOM 748 N GLN A 67 -14.030 0.902 9.433 1.00 0.00 N ATOM 749 CA GLN A 67 -13.858 1.496 10.755 1.00 0.00 C ATOM 750 C GLN A 67 -12.414 1.937 10.967 1.00 0.00 C ATOM 751 O GLN A 67 -12.150 3.079 11.343 1.00 0.00 O ATOM 752 CB GLN A 67 -14.263 0.500 11.843 1.00 0.00 C ATOM 753 CG GLN A 67 -14.291 1.102 13.238 1.00 0.00 C ATOM 754 CD GLN A 67 -15.565 1.875 13.524 1.00 0.00 C ATOM 755 OE1 GLN A 67 -16.241 2.332 12.593 1.00 0.00 O ATOM 756 NE2 GLN A 67 -15.901 2.025 14.800 1.00 0.00 N ATOM 0 H GLN A 67 -13.173 0.847 8.882 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.502 2.373 10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.250 0.100 11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.568 -0.340 11.832 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.183 0.305 13.974 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.435 1.766 13.359 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.311 1.630 15.532 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.749 2.535 15.048 1.00 0.00 H new ATOM 765 N GLY A 68 -11.481 1.021 10.725 1.00 0.00 N ATOM 766 CA GLY A 68 -10.073 1.331 10.895 1.00 0.00 C ATOM 767 C GLY A 68 -9.185 0.117 10.702 1.00 0.00 C ATOM 768 O GLY A 68 -9.677 -0.995 10.514 1.00 0.00 O ATOM 0 H GLY A 68 -11.675 0.069 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.786 2.104 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.912 1.740 11.892 1.00 0.00 H new ATOM 772 N GLY A 69 -7.874 0.331 10.756 1.00 0.00 N ATOM 773 CA GLY A 69 -6.938 -0.765 10.574 1.00 0.00 C ATOM 774 C GLY A 69 -6.617 -1.465 11.888 1.00 0.00 C ATOM 775 O GLY A 69 -7.426 -1.465 12.807 1.00 0.00 O ATOM 0 H GLY A 69 -7.444 1.241 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.356 -1.486 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.017 -0.386 10.131 1.00 0.00 H new ATOM 779 N GLY A 70 -5.433 -2.064 11.960 1.00 0.00 N ATOM 780 CA GLY A 70 -5.028 -2.763 13.158 1.00 0.00 C ATOM 781 C GLY A 70 -3.520 -2.864 13.295 1.00 0.00 C ATOM 782 O GLY A 70 -2.887 -1.977 13.869 1.00 0.00 O ATOM 0 H GLY A 70 -4.747 -2.076 11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.434 -2.249 14.029 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.456 -3.765 13.151 1.00 0.00 H new ATOM 786 N PRO A 71 -2.910 -3.943 12.773 1.00 0.00 N ATOM 787 CA PRO A 71 -1.459 -4.143 12.849 1.00 0.00 C ATOM 788 C PRO A 71 -0.685 -3.125 12.019 1.00 0.00 C ATOM 789 O PRO A 71 0.257 -2.501 12.507 1.00 0.00 O ATOM 790 CB PRO A 71 -1.261 -5.554 12.287 1.00 0.00 C ATOM 791 CG PRO A 71 -2.455 -5.797 11.430 1.00 0.00 C ATOM 792 CD PRO A 71 -3.588 -5.049 12.075 1.00 0.00 C ATOM 0 HA PRO A 71 -1.087 -4.019 13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.339 -5.623 11.709 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.192 -6.292 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.284 -5.444 10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.678 -6.862 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.300 -4.682 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.145 -5.681 12.767 1.00 0.00 H new ATOM 800 N TRP A 72 -1.084 -2.963 10.761 1.00 0.00 N ATOM 801 CA TRP A 72 -0.422 -2.020 9.865 1.00 0.00 C ATOM 802 C TRP A 72 -0.921 -0.594 10.090 1.00 0.00 C ATOM 803 O TRP A 72 -0.289 0.368 9.660 1.00 0.00 O ATOM 804 CB TRP A 72 -0.643 -2.425 8.407 1.00 0.00 C ATOM 805 CG TRP A 72 0.113 -1.571 7.433 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.450 -1.629 7.158 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.422 -0.529 6.609 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.778 -0.688 6.211 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.646 -0.002 5.858 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.700 0.008 6.429 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.474 1.035 4.952 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.869 1.037 5.523 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.788 1.541 4.790 1.00 0.00 C ATOM 0 H TRP A 72 -1.861 -3.471 10.339 1.00 0.00 H new ATOM 0 HA TRP A 72 0.645 -2.046 10.087 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.343 -3.465 8.277 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.707 -2.369 8.179 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.147 -2.314 7.617 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.712 -0.527 5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.541 -0.375 6.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.309 1.430 4.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.852 1.460 5.378 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.952 2.342 4.085 1.00 0.00 H new ATOM 824 N ASP A 73 -2.056 -0.458 10.773 1.00 0.00 N ATOM 825 CA ASP A 73 -2.630 0.855 11.049 1.00 0.00 C ATOM 826 C ASP A 73 -1.603 1.770 11.720 1.00 0.00 C ATOM 827 O ASP A 73 -1.546 2.966 11.432 1.00 0.00 O ATOM 828 CB ASP A 73 -3.863 0.717 11.946 1.00 0.00 C ATOM 829 CG ASP A 73 -4.514 2.054 12.247 1.00 0.00 C ATOM 830 OD1 ASP A 73 -3.957 2.814 13.067 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.581 2.339 11.663 1.00 0.00 O ATOM 0 H ASP A 73 -2.595 -1.240 11.144 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.925 1.301 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.589 0.064 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.576 0.237 12.882 1.00 0.00 H new ATOM 836 N SER A 74 -0.795 1.200 12.598 1.00 0.00 N ATOM 837 CA SER A 74 0.231 1.962 13.299 1.00 0.00 C ATOM 838 C SER A 74 1.383 2.323 12.365 1.00 0.00 C ATOM 839 O SER A 74 2.160 3.235 12.656 1.00 0.00 O ATOM 840 CB SER A 74 0.758 1.167 14.495 1.00 0.00 C ATOM 841 OG SER A 74 1.348 2.024 15.458 1.00 0.00 O ATOM 0 H SER A 74 -0.828 0.211 12.844 1.00 0.00 H new ATOM 0 HA SER A 74 -0.223 2.887 13.656 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.059 0.608 14.953 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.492 0.437 14.155 1.00 0.00 H new ATOM 0 HG SER A 74 1.675 1.492 16.213 1.00 0.00 H new ATOM 847 N VAL A 75 1.490 1.601 11.254 1.00 0.00 N ATOM 848 CA VAL A 75 2.548 1.847 10.283 1.00 0.00 C ATOM 849 C VAL A 75 2.145 2.929 9.287 1.00 0.00 C ATOM 850 O VAL A 75 2.986 3.686 8.805 1.00 0.00 O ATOM 851 CB VAL A 75 2.909 0.563 9.511 1.00 0.00 C ATOM 852 CG1 VAL A 75 4.108 0.800 8.603 1.00 0.00 C ATOM 853 CG2 VAL A 75 3.181 -0.581 10.484 1.00 0.00 C ATOM 0 H VAL A 75 0.857 0.841 11.005 1.00 0.00 H new ATOM 0 HA VAL A 75 3.419 2.184 10.845 1.00 0.00 H new ATOM 0 HB VAL A 75 2.062 0.286 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.346 -0.119 8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.872 1.587 7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.966 1.102 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.435 -1.482 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.012 -0.313 11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.291 -0.766 11.086 1.00 0.00 H new ATOM 863 N ALA A 76 0.853 2.996 8.988 1.00 0.00 N ATOM 864 CA ALA A 76 0.346 3.989 8.038 1.00 0.00 C ATOM 865 C ALA A 76 -1.174 3.931 7.930 1.00 0.00 C ATOM 866 O ALA A 76 -1.816 3.054 8.516 1.00 0.00 O ATOM 867 CB ALA A 76 0.976 3.785 6.670 1.00 0.00 C ATOM 0 H ALA A 76 0.140 2.383 9.383 1.00 0.00 H new ATOM 0 HA ALA A 76 0.620 4.975 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.588 4.531 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.058 3.890 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.734 2.788 6.303 1.00 0.00 H new ATOM 873 N ARG A 77 -1.740 4.870 7.179 1.00 0.00 N ATOM 874 CA ARG A 77 -3.184 4.927 6.986 1.00 0.00 C ATOM 875 C ARG A 77 -3.529 5.420 5.583 1.00 0.00 C ATOM 876 O ARG A 77 -2.684 5.978 4.883 1.00 0.00 O ATOM 877 CB ARG A 77 -3.827 5.835 8.038 1.00 0.00 C ATOM 878 CG ARG A 77 -4.874 5.132 8.883 1.00 0.00 C ATOM 879 CD ARG A 77 -4.247 4.448 10.083 1.00 0.00 C ATOM 880 NE ARG A 77 -4.878 4.852 11.338 1.00 0.00 N ATOM 881 CZ ARG A 77 -4.578 5.971 11.993 1.00 0.00 C ATOM 882 NH1 ARG A 77 -3.658 6.802 11.518 1.00 0.00 N ATOM 883 NH2 ARG A 77 -5.200 6.260 13.136 1.00 0.00 N ATOM 0 H ARG A 77 -1.221 5.602 6.694 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.580 3.918 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.049 6.229 8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.287 6.688 7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.617 5.855 9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.400 4.395 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.329 3.367 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.184 4.684 10.120 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.591 4.240 11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.176 6.585 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.433 7.658 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.905 5.624 13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.971 7.117 13.639 1.00 0.00 H new ATOM 897 N VAL A 78 -4.779 5.208 5.181 1.00 0.00 N ATOM 898 CA VAL A 78 -5.241 5.626 3.863 1.00 0.00 C ATOM 899 C VAL A 78 -5.922 6.989 3.922 1.00 0.00 C ATOM 900 O VAL A 78 -6.830 7.206 4.726 1.00 0.00 O ATOM 901 CB VAL A 78 -6.224 4.601 3.272 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.543 4.945 1.817 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.662 3.193 3.375 1.00 0.00 C ATOM 0 H VAL A 78 -5.490 4.749 5.750 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.361 5.694 3.224 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.148 4.642 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.240 4.210 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.993 5.937 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.624 4.934 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.374 2.485 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.722 3.135 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.486 2.947 4.422 1.00 0.00 H new ATOM 913 N LEU A 79 -5.482 7.906 3.065 1.00 0.00 N ATOM 914 CA LEU A 79 -6.054 9.248 3.028 1.00 0.00 C ATOM 915 C LEU A 79 -7.384 9.242 2.271 1.00 0.00 C ATOM 916 O LEU A 79 -7.602 8.414 1.387 1.00 0.00 O ATOM 917 CB LEU A 79 -5.082 10.221 2.350 1.00 0.00 C ATOM 918 CG LEU A 79 -3.831 10.549 3.166 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.912 9.341 3.245 1.00 0.00 C ATOM 920 CD2 LEU A 79 -3.101 11.739 2.561 1.00 0.00 C ATOM 0 H LEU A 79 -4.735 7.745 2.390 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.230 9.573 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.775 9.798 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.611 11.149 2.133 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.138 10.811 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.028 9.594 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.438 8.514 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.610 9.047 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.213 11.960 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.806 11.503 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.760 12.607 2.558 1.00 0.00 H new ATOM 932 N PRO A 80 -8.293 10.170 2.623 1.00 0.00 N ATOM 933 CA PRO A 80 -9.613 10.271 1.987 1.00 0.00 C ATOM 934 C PRO A 80 -9.542 10.242 0.463 1.00 0.00 C ATOM 935 O PRO A 80 -10.485 9.812 -0.185 1.00 0.00 O ATOM 936 CB PRO A 80 -10.131 11.625 2.480 1.00 0.00 C ATOM 937 CG PRO A 80 -9.464 11.833 3.787 1.00 0.00 C ATOM 938 CD PRO A 80 -8.108 11.191 3.680 1.00 0.00 C ATOM 0 HA PRO A 80 -10.255 9.429 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.884 12.422 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.216 11.619 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.374 12.896 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.043 11.384 4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.341 11.916 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.801 10.741 4.624 1.00 0.00 H new ATOM 946 N ASN A 81 -8.424 10.701 -0.080 1.00 0.00 N ATOM 947 CA ASN A 81 -8.241 10.725 -1.528 1.00 0.00 C ATOM 948 C ASN A 81 -7.682 9.399 -2.034 1.00 0.00 C ATOM 949 O ASN A 81 -7.319 9.284 -3.205 1.00 0.00 O ATOM 950 CB ASN A 81 -7.316 11.873 -1.918 1.00 0.00 C ATOM 951 CG ASN A 81 -7.998 12.873 -2.840 1.00 0.00 C ATOM 952 OD1 ASN A 81 -8.578 13.856 -2.371 1.00 0.00 O ATOM 953 ND2 ASN A 81 -7.930 12.626 -4.135 1.00 0.00 N ATOM 0 H ASN A 81 -7.633 11.060 0.454 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.215 10.878 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.976 12.385 -1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.430 11.472 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.370 13.263 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.438 11.798 -4.471 1.00 0.00 H new ATOM 960 N GLY A 82 -7.607 8.401 -1.157 1.00 0.00 N ATOM 961 CA GLY A 82 -7.085 7.107 -1.550 1.00 0.00 C ATOM 962 C GLY A 82 -5.573 7.102 -1.620 1.00 0.00 C ATOM 963 O GLY A 82 -4.981 6.507 -2.513 1.00 0.00 O ATOM 0 H GLY A 82 -7.899 8.467 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.417 6.351 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.494 6.831 -2.522 1.00 0.00 H new ATOM 967 N SER A 83 -4.947 7.776 -0.654 1.00 0.00 N ATOM 968 CA SER A 83 -3.494 7.859 -0.602 1.00 0.00 C ATOM 969 C SER A 83 -2.939 7.039 0.542 1.00 0.00 C ATOM 970 O SER A 83 -3.668 6.291 1.193 1.00 0.00 O ATOM 971 CB SER A 83 -3.057 9.318 -0.459 1.00 0.00 C ATOM 972 OG SER A 83 -1.753 9.526 -0.975 1.00 0.00 O ATOM 0 H SER A 83 -5.426 8.270 0.099 1.00 0.00 H new ATOM 0 HA SER A 83 -3.099 7.453 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.763 9.963 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.083 9.605 0.592 1.00 0.00 H new ATOM 0 HG SER A 83 -1.386 8.674 -1.289 1.00 0.00 H new ATOM 978 N LEU A 84 -1.644 7.193 0.804 1.00 0.00 N ATOM 979 CA LEU A 84 -0.984 6.478 1.888 1.00 0.00 C ATOM 980 C LEU A 84 0.052 7.370 2.553 1.00 0.00 C ATOM 981 O LEU A 84 0.831 8.042 1.882 1.00 0.00 O ATOM 982 CB LEU A 84 -0.317 5.204 1.357 1.00 0.00 C ATOM 983 CG LEU A 84 -0.677 3.931 2.123 1.00 0.00 C ATOM 984 CD1 LEU A 84 -2.160 3.626 1.985 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.159 2.760 1.630 1.00 0.00 C ATOM 0 H LEU A 84 -1.029 7.811 0.275 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.735 6.199 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.594 5.074 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.765 5.336 1.386 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.458 4.090 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.397 2.716 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.741 4.456 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.406 3.486 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.110 1.862 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.029 2.600 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.216 2.978 1.782 1.00 0.00 H new ATOM 997 N PHE A 85 0.053 7.375 3.881 1.00 0.00 N ATOM 998 CA PHE A 85 0.994 8.190 4.639 1.00 0.00 C ATOM 999 C PHE A 85 1.658 7.371 5.741 1.00 0.00 C ATOM 1000 O PHE A 85 0.985 6.847 6.629 1.00 0.00 O ATOM 1001 CB PHE A 85 0.276 9.401 5.248 1.00 0.00 C ATOM 1002 CG PHE A 85 1.198 10.438 5.822 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.010 10.139 6.906 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.248 11.714 5.285 1.00 0.00 C ATOM 1005 CE1 PHE A 85 2.853 11.094 7.442 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.091 12.672 5.824 1.00 0.00 C ATOM 1007 CZ PHE A 85 2.894 12.362 6.895 1.00 0.00 C ATOM 0 H PHE A 85 -0.586 6.825 4.454 1.00 0.00 H new ATOM 0 HA PHE A 85 1.768 8.540 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.343 9.866 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.396 9.054 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.983 9.149 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.625 11.964 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.479 10.849 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.117 13.665 5.401 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.556 13.108 7.309 1.00 0.00 H new ATOM 1017 N LEU A 86 2.983 7.270 5.684 1.00 0.00 N ATOM 1018 CA LEU A 86 3.746 6.519 6.676 1.00 0.00 C ATOM 1019 C LEU A 86 4.491 7.464 7.609 1.00 0.00 C ATOM 1020 O LEU A 86 5.387 8.190 7.181 1.00 0.00 O ATOM 1021 CB LEU A 86 4.751 5.591 5.979 1.00 0.00 C ATOM 1022 CG LEU A 86 4.148 4.358 5.303 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.881 4.632 3.840 1.00 0.00 C ATOM 1024 CD2 LEU A 86 5.067 3.156 5.467 1.00 0.00 C ATOM 0 H LEU A 86 3.553 7.702 4.957 1.00 0.00 H new ATOM 0 HA LEU A 86 3.047 5.922 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.292 6.168 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.484 5.259 6.715 1.00 0.00 H new ATOM 0 HG LEU A 86 3.198 4.130 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.452 3.744 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.182 5.463 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.816 4.887 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.622 2.288 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.033 3.372 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.205 2.946 6.528 1.00 0.00 H new ATOM 1036 N PRO A 87 4.138 7.471 8.916 1.00 0.00 N ATOM 1037 CA PRO A 87 4.796 8.336 9.895 1.00 0.00 C ATOM 1038 C PRO A 87 6.296 8.067 9.977 1.00 0.00 C ATOM 1039 O PRO A 87 7.071 8.934 10.382 1.00 0.00 O ATOM 1040 CB PRO A 87 4.111 7.968 11.224 1.00 0.00 C ATOM 1041 CG PRO A 87 2.819 7.342 10.828 1.00 0.00 C ATOM 1042 CD PRO A 87 3.087 6.641 9.528 1.00 0.00 C ATOM 0 HA PRO A 87 4.704 9.391 9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.722 7.278 11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.949 8.851 11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.475 6.640 11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.039 8.094 10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.422 5.615 9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.195 6.594 8.903 1.00 0.00 H new ATOM 1050 N ALA A 88 6.694 6.861 9.587 1.00 0.00 N ATOM 1051 CA ALA A 88 8.099 6.469 9.611 1.00 0.00 C ATOM 1052 C ALA A 88 8.309 5.164 8.850 1.00 0.00 C ATOM 1053 O ALA A 88 7.846 4.106 9.284 1.00 0.00 O ATOM 1054 CB ALA A 88 8.585 6.332 11.045 1.00 0.00 C ATOM 0 H ALA A 88 6.061 6.136 9.249 1.00 0.00 H new ATOM 0 HA ALA A 88 8.681 7.248 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.635 6.039 11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.474 7.286 11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.995 5.572 11.558 1.00 0.00 H new ATOM 1060 N VAL A 89 9.005 5.246 7.721 1.00 0.00 N ATOM 1061 CA VAL A 89 9.270 4.069 6.901 1.00 0.00 C ATOM 1062 C VAL A 89 10.639 3.476 7.210 1.00 0.00 C ATOM 1063 O VAL A 89 11.667 4.108 6.980 1.00 0.00 O ATOM 1064 CB VAL A 89 9.199 4.402 5.399 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.260 3.130 4.576 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.939 5.193 5.086 1.00 0.00 C ATOM 0 H VAL A 89 9.395 6.114 7.353 1.00 0.00 H new ATOM 0 HA VAL A 89 8.498 3.339 7.143 1.00 0.00 H new ATOM 0 HB VAL A 89 10.057 5.020 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.209 3.380 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.195 2.608 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.420 2.486 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.907 5.419 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.063 4.605 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.943 6.123 5.654 1.00 0.00 H new ATOM 1076 N GLY A 90 10.645 2.257 7.738 1.00 0.00 N ATOM 1077 CA GLY A 90 11.895 1.597 8.069 1.00 0.00 C ATOM 1078 C GLY A 90 12.131 0.353 7.235 1.00 0.00 C ATOM 1079 O GLY A 90 11.484 0.153 6.207 1.00 0.00 O ATOM 0 H GLY A 90 9.806 1.714 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.721 2.293 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.892 1.328 9.125 1.00 0.00 H new ATOM 1083 N ILE A 91 13.061 -0.487 7.679 1.00 0.00 N ATOM 1084 CA ILE A 91 13.382 -1.718 6.969 1.00 0.00 C ATOM 1085 C ILE A 91 12.164 -2.629 6.874 1.00 0.00 C ATOM 1086 O ILE A 91 11.950 -3.293 5.868 1.00 0.00 O ATOM 1087 CB ILE A 91 14.531 -2.484 7.664 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.227 -2.680 9.143 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.849 -1.744 7.476 1.00 0.00 C ATOM 1090 CD1 ILE A 91 13.810 -4.093 9.500 1.00 0.00 C ATOM 0 H ILE A 91 13.605 -0.336 8.528 1.00 0.00 H new ATOM 0 HA ILE A 91 13.699 -1.433 5.966 1.00 0.00 H new ATOM 0 HB ILE A 91 14.621 -3.468 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.110 -2.414 9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.434 -1.992 9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.649 -2.295 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.070 -1.660 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.772 -0.747 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.610 -4.154 10.570 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.909 -4.357 8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.611 -4.785 9.240 1.00 0.00 H new ATOM 1102 N GLN A 92 11.363 -2.651 7.935 1.00 0.00 N ATOM 1103 CA GLN A 92 10.163 -3.477 7.969 1.00 0.00 C ATOM 1104 C GLN A 92 9.187 -3.060 6.880 1.00 0.00 C ATOM 1105 O GLN A 92 8.387 -3.867 6.399 1.00 0.00 O ATOM 1106 CB GLN A 92 9.484 -3.373 9.337 1.00 0.00 C ATOM 1107 CG GLN A 92 10.360 -3.845 10.486 1.00 0.00 C ATOM 1108 CD GLN A 92 10.081 -3.099 11.777 1.00 0.00 C ATOM 1109 OE1 GLN A 92 10.463 -1.939 11.940 1.00 0.00 O ATOM 1110 NE2 GLN A 92 9.412 -3.763 12.720 1.00 0.00 N ATOM 0 H GLN A 92 11.524 -2.106 8.782 1.00 0.00 H new ATOM 0 HA GLN A 92 10.461 -4.511 7.794 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.195 -2.337 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.567 -3.962 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.200 -4.911 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.408 -3.716 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.111 -4.723 12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.202 -3.311 13.610 1.00 0.00 H new ATOM 1119 N ASP A 93 9.261 -1.794 6.473 1.00 0.00 N ATOM 1120 CA ASP A 93 8.385 -1.267 5.440 1.00 0.00 C ATOM 1121 C ASP A 93 8.883 -1.658 4.042 1.00 0.00 C ATOM 1122 O ASP A 93 8.127 -1.620 3.080 1.00 0.00 O ATOM 1123 CB ASP A 93 8.288 0.255 5.542 1.00 0.00 C ATOM 1124 CG ASP A 93 7.645 0.701 6.848 1.00 0.00 C ATOM 1125 OD1 ASP A 93 8.356 0.759 7.866 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.430 0.992 6.840 1.00 0.00 O ATOM 0 H ASP A 93 9.923 -1.115 6.848 1.00 0.00 H new ATOM 0 HA ASP A 93 7.396 -1.700 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.285 0.688 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.707 0.638 4.703 1.00 0.00 H new ATOM 1131 N GLU A 94 10.158 -2.032 3.947 1.00 0.00 N ATOM 1132 CA GLU A 94 10.748 -2.426 2.669 1.00 0.00 C ATOM 1133 C GLU A 94 9.878 -3.457 1.953 1.00 0.00 C ATOM 1134 O GLU A 94 8.874 -3.920 2.494 1.00 0.00 O ATOM 1135 CB GLU A 94 12.154 -2.993 2.881 1.00 0.00 C ATOM 1136 CG GLU A 94 13.150 -1.973 3.411 1.00 0.00 C ATOM 1137 CD GLU A 94 14.440 -2.613 3.892 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.413 -3.308 4.921 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.478 -2.420 3.217 1.00 0.00 O ATOM 0 H GLU A 94 10.801 -2.070 4.738 1.00 0.00 H new ATOM 0 HA GLU A 94 10.811 -1.535 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.098 -3.829 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.523 -3.390 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.377 -1.251 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.695 -1.419 4.232 1.00 0.00 H new ATOM 1146 N GLY A 95 10.273 -3.813 0.735 1.00 0.00 N ATOM 1147 CA GLY A 95 9.519 -4.786 -0.019 1.00 0.00 C ATOM 1148 C GLY A 95 8.689 -4.143 -1.114 1.00 0.00 C ATOM 1149 O GLY A 95 8.897 -2.980 -1.457 1.00 0.00 O ATOM 0 H GLY A 95 11.098 -3.445 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.203 -5.510 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.864 -5.337 0.655 1.00 0.00 H new ATOM 1153 N ILE A 96 7.746 -4.903 -1.672 1.00 0.00 N ATOM 1154 CA ILE A 96 6.882 -4.401 -2.726 1.00 0.00 C ATOM 1155 C ILE A 96 5.431 -4.326 -2.265 1.00 0.00 C ATOM 1156 O ILE A 96 4.980 -5.146 -1.465 1.00 0.00 O ATOM 1157 CB ILE A 96 6.961 -5.288 -3.983 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.420 -5.563 -4.350 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.233 -4.626 -5.152 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.583 -6.568 -5.470 1.00 0.00 C ATOM 0 H ILE A 96 7.565 -5.871 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 96 7.233 -3.398 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 96 6.473 -6.238 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.896 -4.626 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.946 -5.927 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.299 -5.267 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.186 -4.476 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.694 -3.663 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.643 -6.714 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.137 -7.518 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.086 -6.197 -6.367 1.00 0.00 H new ATOM 1172 N PHE A 97 4.702 -3.338 -2.784 1.00 0.00 N ATOM 1173 CA PHE A 97 3.300 -3.156 -2.424 1.00 0.00 C ATOM 1174 C PHE A 97 2.413 -3.163 -3.657 1.00 0.00 C ATOM 1175 O PHE A 97 2.825 -2.721 -4.730 1.00 0.00 O ATOM 1176 CB PHE A 97 3.112 -1.844 -1.660 1.00 0.00 C ATOM 1177 CG PHE A 97 3.895 -1.769 -0.370 1.00 0.00 C ATOM 1178 CD1 PHE A 97 4.035 -2.884 0.432 1.00 0.00 C ATOM 1179 CD2 PHE A 97 4.487 -0.580 0.016 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.752 -2.815 1.612 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.205 -0.504 1.187 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.337 -1.623 1.985 1.00 0.00 C ATOM 0 H PHE A 97 5.059 -2.655 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 97 3.009 -3.989 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.409 -1.015 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.053 -1.712 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.581 -3.818 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.385 0.296 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.853 -3.689 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 97 5.664 0.428 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.900 -1.565 2.905 1.00 0.00 H new ATOM 1192 N ARG A 98 1.190 -3.661 -3.501 1.00 0.00 N ATOM 1193 CA ARG A 98 0.241 -3.720 -4.607 1.00 0.00 C ATOM 1194 C ARG A 98 -1.127 -3.207 -4.176 1.00 0.00 C ATOM 1195 O ARG A 98 -1.533 -3.398 -3.021 1.00 0.00 O ATOM 1196 CB ARG A 98 0.124 -5.151 -5.144 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.711 -5.267 -6.399 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.523 -6.619 -7.069 1.00 0.00 C ATOM 1199 NE ARG A 98 0.765 -6.718 -7.751 1.00 0.00 N ATOM 1200 CZ ARG A 98 1.038 -7.617 -8.694 1.00 0.00 C ATOM 1201 NH1 ARG A 98 0.116 -8.495 -9.080 1.00 0.00 N ATOM 1202 NH2 ARG A 98 2.235 -7.637 -9.263 1.00 0.00 N ATOM 0 H ARG A 98 0.833 -4.029 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 98 0.615 -3.078 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.124 -5.535 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.310 -5.785 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.763 -5.125 -6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.437 -4.474 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.598 -7.408 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.327 -6.783 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 98 1.499 -6.059 -7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.810 -8.483 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.335 -9.180 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.946 -6.964 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.445 -8.326 -9.986 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.833 -2.551 -5.092 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.153 -2.005 -4.783 1.00 0.00 C ATOM 1218 C CYS A 99 -4.259 -2.877 -5.370 1.00 0.00 C ATOM 1219 O CYS A 99 -4.053 -3.581 -6.358 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.271 -0.579 -5.323 1.00 0.00 C ATOM 1221 SG CYS A 99 -2.674 0.704 -4.175 1.00 0.00 S ATOM 0 H CYS A 99 -1.518 -2.385 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.269 -1.991 -3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.710 -0.507 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.315 -0.378 -5.564 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.434 -2.820 -4.751 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.582 -3.600 -5.202 1.00 0.00 C ATOM 1228 C GLN A 100 -7.879 -3.022 -4.641 1.00 0.00 C ATOM 1229 O GLN A 100 -7.989 -2.773 -3.441 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.432 -5.060 -4.784 1.00 0.00 C ATOM 1231 CG GLN A 100 -7.412 -5.999 -5.461 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.994 -7.453 -5.361 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -5.844 -7.760 -5.056 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -7.929 -8.357 -5.629 1.00 0.00 N ATOM 0 H GLN A 100 -5.617 -2.239 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.623 -3.550 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.417 -5.389 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.561 -5.133 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.397 -5.877 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.506 -5.724 -6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.872 -8.057 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.705 -9.351 -5.586 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.856 -2.808 -5.524 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.141 -2.254 -5.103 1.00 0.00 C ATOM 1245 C ALA A 101 -11.301 -3.066 -5.669 1.00 0.00 C ATOM 1246 O ALA A 101 -11.141 -3.803 -6.641 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.252 -0.801 -5.544 1.00 0.00 C ATOM 0 H ALA A 101 -8.783 -3.007 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.193 -2.303 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.213 -0.397 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.447 -0.221 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.176 -0.743 -6.630 1.00 0.00 H new ATOM 1253 N MET A 102 -12.471 -2.925 -5.054 1.00 0.00 N ATOM 1254 CA MET A 102 -13.659 -3.643 -5.498 1.00 0.00 C ATOM 1255 C MET A 102 -14.842 -2.692 -5.654 1.00 0.00 C ATOM 1256 O MET A 102 -15.343 -2.144 -4.680 1.00 0.00 O ATOM 1257 CB MET A 102 -14.010 -4.754 -4.506 1.00 0.00 C ATOM 1258 CG MET A 102 -15.183 -5.616 -4.946 1.00 0.00 C ATOM 1259 SD MET A 102 -14.672 -7.244 -5.526 1.00 0.00 S ATOM 1260 CE MET A 102 -13.551 -6.796 -6.849 1.00 0.00 C ATOM 0 H MET A 102 -12.621 -2.320 -4.247 1.00 0.00 H new ATOM 0 HA MET A 102 -13.443 -4.088 -6.469 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.137 -5.390 -4.362 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.241 -4.307 -3.539 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.875 -5.733 -4.112 1.00 0.00 H new ATOM 0 HG3 MET A 102 -15.725 -5.105 -5.742 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.303 -7.683 -7.432 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.027 -6.059 -7.495 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.640 -6.373 -6.426 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.284 -2.500 -6.893 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.407 -1.616 -7.175 1.00 0.00 C ATOM 1272 C ASN A 103 -17.719 -2.395 -7.216 1.00 0.00 C ATOM 1273 O ASN A 103 -17.753 -3.585 -6.895 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.192 -0.896 -8.516 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.714 0.532 -8.323 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -14.512 0.793 -8.266 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -16.654 1.463 -8.225 1.00 0.00 N ATOM 0 H ASN A 103 -14.881 -2.945 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.465 -0.879 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.462 -1.446 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.125 -0.893 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.392 2.441 -8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.638 1.201 -8.278 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.795 -1.716 -7.591 1.00 0.00 N ATOM 1285 CA ARG A 104 -20.110 -2.344 -7.666 1.00 0.00 C ATOM 1286 C ARG A 104 -20.142 -3.410 -8.764 1.00 0.00 C ATOM 1287 O ARG A 104 -20.825 -4.426 -8.626 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.187 -1.291 -7.934 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.820 -0.732 -6.670 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.425 0.642 -6.910 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.587 1.710 -6.373 1.00 0.00 N ATOM 1292 CZ ARG A 104 -21.704 2.990 -6.719 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -22.623 3.365 -7.601 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -20.902 3.899 -6.182 1.00 0.00 N ATOM 0 H ARG A 104 -18.784 -0.729 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 104 -20.311 -2.825 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.748 -0.472 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.966 -1.731 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.593 -1.414 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.068 -0.667 -5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.565 0.795 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.412 0.689 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.869 1.461 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.244 2.671 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -22.708 4.347 -7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -20.195 3.618 -5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -20.992 4.880 -6.448 1.00 0.00 H new ATOM 1308 N ASN A 105 -19.400 -3.170 -9.833 1.00 0.00 N ATOM 1309 CA ASN A 105 -19.345 -4.110 -10.946 1.00 0.00 C ATOM 1310 C ASN A 105 -18.226 -5.130 -10.750 1.00 0.00 C ATOM 1311 O ASN A 105 -18.257 -6.217 -11.327 1.00 0.00 O ATOM 1312 CB ASN A 105 -19.138 -3.360 -12.272 1.00 0.00 C ATOM 1313 CG ASN A 105 -20.230 -2.340 -12.526 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -20.547 -1.519 -11.666 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -20.810 -2.388 -13.719 1.00 0.00 N ATOM 0 H ASN A 105 -18.828 -2.335 -9.956 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.296 -4.642 -10.980 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.170 -2.859 -12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.113 -4.076 -13.093 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.551 -1.727 -13.953 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.515 -3.086 -14.402 1.00 0.00 H new ATOM 1322 N GLY A 106 -17.237 -4.774 -9.935 1.00 0.00 N ATOM 1323 CA GLY A 106 -16.125 -5.672 -9.682 1.00 0.00 C ATOM 1324 C GLY A 106 -14.832 -5.182 -10.303 1.00 0.00 C ATOM 1325 O GLY A 106 -14.011 -5.981 -10.755 1.00 0.00 O ATOM 0 H GLY A 106 -17.186 -3.880 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.989 -5.783 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.363 -6.660 -10.077 1.00 0.00 H new ATOM 1329 N LYS A 107 -14.650 -3.866 -10.332 1.00 0.00 N ATOM 1330 CA LYS A 107 -13.448 -3.269 -10.895 1.00 0.00 C ATOM 1331 C LYS A 107 -12.317 -3.241 -9.871 1.00 0.00 C ATOM 1332 O LYS A 107 -12.530 -2.910 -8.712 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.743 -1.851 -11.389 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.515 -1.116 -11.912 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.865 0.283 -12.385 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.658 1.206 -12.348 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.792 2.342 -13.294 1.00 0.00 N ATOM 0 H LYS A 107 -15.324 -3.191 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.130 -3.882 -11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.491 -1.900 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.180 -1.275 -10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.762 -1.058 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.075 -1.680 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.257 0.236 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.656 0.693 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.528 1.591 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.760 0.637 -12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.033 2.295 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.715 2.290 -13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.723 3.239 -12.772 1.00 0.00 H new ATOM 1351 N GLU A 108 -11.114 -3.589 -10.324 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.949 -3.601 -9.439 1.00 0.00 C ATOM 1353 C GLU A 108 -8.795 -2.819 -10.058 1.00 0.00 C ATOM 1354 O GLU A 108 -8.651 -2.765 -11.279 1.00 0.00 O ATOM 1355 CB GLU A 108 -9.512 -5.039 -9.154 1.00 0.00 C ATOM 1356 CG GLU A 108 -9.204 -5.842 -10.406 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.595 -7.195 -10.095 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.465 -7.229 -9.562 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -9.246 -8.220 -10.392 1.00 0.00 O ATOM 0 H GLU A 108 -10.920 -3.864 -11.287 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.229 -3.124 -8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.627 -5.021 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.298 -5.544 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.121 -5.983 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.519 -5.276 -11.037 1.00 0.00 H new ATOM 1366 N THR A 109 -7.975 -2.212 -9.206 1.00 0.00 N ATOM 1367 CA THR A 109 -6.833 -1.434 -9.670 1.00 0.00 C ATOM 1368 C THR A 109 -5.529 -2.189 -9.439 1.00 0.00 C ATOM 1369 O THR A 109 -5.160 -2.476 -8.308 1.00 0.00 O ATOM 1370 CB THR A 109 -6.787 -0.082 -8.954 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.647 0.659 -9.360 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.751 -0.205 -7.446 1.00 0.00 C ATOM 0 H THR A 109 -8.080 -2.244 -8.192 1.00 0.00 H new ATOM 0 HA THR A 109 -6.950 -1.268 -10.741 1.00 0.00 H new ATOM 0 HB THR A 109 -7.708 0.429 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.634 1.521 -8.894 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.719 0.789 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.643 -0.728 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.865 -0.765 -7.148 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.836 -2.510 -10.527 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.572 -3.232 -10.441 1.00 0.00 C ATOM 1382 C LYS A 110 -2.391 -2.272 -10.530 1.00 0.00 C ATOM 1383 O LYS A 110 -2.185 -1.616 -11.551 1.00 0.00 O ATOM 1384 CB LYS A 110 -3.481 -4.279 -11.555 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.907 -5.608 -11.094 1.00 0.00 C ATOM 1386 CD LYS A 110 -3.213 -6.722 -12.082 1.00 0.00 C ATOM 1387 CE LYS A 110 -2.360 -7.954 -11.819 1.00 0.00 C ATOM 1388 NZ LYS A 110 -3.191 -9.178 -11.656 1.00 0.00 N ATOM 0 H LYS A 110 -5.128 -2.282 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.535 -3.736 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.476 -4.446 -11.968 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.863 -3.886 -12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.828 -5.516 -10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.318 -5.864 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.268 -6.988 -12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.037 -6.367 -13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.662 -8.096 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.763 -7.798 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.573 -9.996 -11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.839 -9.053 -10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.742 -9.342 -12.523 1.00 0.00 H new ATOM 1402 N SER A 111 -1.618 -2.193 -9.451 1.00 0.00 N ATOM 1403 CA SER A 111 -0.459 -1.311 -9.405 1.00 0.00 C ATOM 1404 C SER A 111 0.541 -1.782 -8.364 1.00 0.00 C ATOM 1405 O SER A 111 0.232 -1.824 -7.165 1.00 0.00 O ATOM 1406 CB SER A 111 -0.897 0.123 -9.101 1.00 0.00 C ATOM 1407 OG SER A 111 -2.220 0.358 -9.556 1.00 0.00 O ATOM 0 H SER A 111 -1.774 -2.729 -8.598 1.00 0.00 H new ATOM 0 HA SER A 111 0.025 -1.336 -10.381 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.840 0.305 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.214 0.825 -9.580 1.00 0.00 H new ATOM 0 HG SER A 111 -2.478 1.280 -9.349 1.00 0.00 H new ATOM 1413 N ASN A 112 1.741 -2.136 -8.805 1.00 0.00 N ATOM 1414 CA ASN A 112 2.787 -2.605 -7.902 1.00 0.00 C ATOM 1415 C ASN A 112 3.892 -1.564 -7.768 1.00 0.00 C ATOM 1416 O ASN A 112 4.524 -1.175 -8.743 1.00 0.00 O ATOM 1417 CB ASN A 112 3.375 -3.923 -8.420 1.00 0.00 C ATOM 1418 CG ASN A 112 3.722 -4.874 -7.285 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.255 -4.717 -6.164 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.548 -5.870 -7.592 1.00 0.00 N ATOM 0 H ASN A 112 2.016 -2.107 -9.787 1.00 0.00 H new ATOM 0 HA ASN A 112 2.344 -2.769 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.660 -4.402 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.270 -3.716 -9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.819 -6.546 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.910 -5.958 -8.541 1.00 0.00 H new ATOM 1427 N TYR A 113 4.119 -1.115 -6.530 1.00 0.00 N ATOM 1428 CA TYR A 113 5.148 -0.118 -6.255 1.00 0.00 C ATOM 1429 C TYR A 113 6.270 -0.712 -5.410 1.00 0.00 C ATOM 1430 O TYR A 113 6.018 -1.440 -4.449 1.00 0.00 O ATOM 1431 CB TYR A 113 4.538 1.087 -5.544 1.00 0.00 C ATOM 1432 CG TYR A 113 3.716 1.981 -6.444 1.00 0.00 C ATOM 1433 CD1 TYR A 113 2.684 1.464 -7.216 1.00 0.00 C ATOM 1434 CD2 TYR A 113 3.972 3.345 -6.511 1.00 0.00 C ATOM 1435 CE1 TYR A 113 1.930 2.280 -8.030 1.00 0.00 C ATOM 1436 CE2 TYR A 113 3.222 4.166 -7.331 1.00 0.00 C ATOM 1437 CZ TYR A 113 2.203 3.630 -8.096 1.00 0.00 C ATOM 1438 OH TYR A 113 1.454 4.445 -8.912 1.00 0.00 O ATOM 0 H TYR A 113 3.604 -1.427 -5.707 1.00 0.00 H new ATOM 0 HA TYR A 113 5.570 0.206 -7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.909 0.734 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.339 1.676 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 113 2.469 0.406 -7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.767 3.769 -5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.125 1.863 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.431 5.225 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 113 1.777 5.367 -8.839 1.00 0.00 H new ATOM 1448 N ARG A 114 7.509 -0.396 -5.771 1.00 0.00 N ATOM 1449 CA ARG A 114 8.670 -0.897 -5.043 1.00 0.00 C ATOM 1450 C ARG A 114 9.141 0.121 -4.016 1.00 0.00 C ATOM 1451 O ARG A 114 9.349 1.292 -4.327 1.00 0.00 O ATOM 1452 CB ARG A 114 9.808 -1.218 -6.013 1.00 0.00 C ATOM 1453 CG ARG A 114 10.702 -2.356 -5.549 1.00 0.00 C ATOM 1454 CD ARG A 114 11.637 -1.911 -4.435 1.00 0.00 C ATOM 1455 NE ARG A 114 12.634 -2.930 -4.119 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.634 -3.267 -4.931 1.00 0.00 C ATOM 1457 NH1 ARG A 114 13.776 -2.666 -6.106 1.00 0.00 N ATOM 1458 NH2 ARG A 114 14.497 -4.205 -4.566 1.00 0.00 N ATOM 0 H ARG A 114 7.736 0.205 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 114 8.377 -1.809 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.385 -1.473 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.416 -0.324 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.086 -3.185 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.287 -2.727 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.140 -0.990 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.055 -1.684 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 114 12.560 -3.412 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.117 -1.942 -6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.544 -2.929 -6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.395 -4.669 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.263 -4.463 -5.188 1.00 0.00 H new ATOM 1472 N VAL A 115 9.306 -0.331 -2.770 1.00 0.00 N ATOM 1473 CA VAL A 115 9.750 0.544 -1.690 1.00 0.00 C ATOM 1474 C VAL A 115 10.979 -0.023 -0.996 1.00 0.00 C ATOM 1475 O VAL A 115 10.922 -1.093 -0.382 1.00 0.00 O ATOM 1476 CB VAL A 115 8.636 0.764 -0.649 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.023 1.869 0.307 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.313 1.084 -1.333 1.00 0.00 C ATOM 0 H VAL A 115 9.138 -1.297 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 115 10.004 1.503 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 115 8.508 -0.157 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.227 2.014 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.944 1.598 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.178 2.794 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.541 1.235 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.421 1.990 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.029 0.255 -1.982 1.00 0.00 H new ATOM 1488 N ARG A 116 12.090 0.703 -1.074 1.00 0.00 N ATOM 1489 CA ARG A 116 13.335 0.274 -0.452 1.00 0.00 C ATOM 1490 C ARG A 116 13.897 1.377 0.440 1.00 0.00 C ATOM 1491 O ARG A 116 13.715 2.563 0.158 1.00 0.00 O ATOM 1492 CB ARG A 116 14.363 -0.110 -1.509 1.00 0.00 C ATOM 1493 CG ARG A 116 15.558 -0.869 -0.955 1.00 0.00 C ATOM 1494 CD ARG A 116 15.158 -2.244 -0.448 1.00 0.00 C ATOM 1495 NE ARG A 116 15.601 -3.314 -1.330 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.847 -3.784 -1.361 1.00 0.00 C ATOM 1497 NH1 ARG A 116 17.774 -3.280 -0.564 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.165 -4.761 -2.208 1.00 0.00 N ATOM 0 H ARG A 116 12.152 1.595 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 116 13.120 -0.601 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 116 13.877 -0.721 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.717 0.794 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.316 -0.973 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.009 -0.298 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.580 -2.398 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.074 -2.288 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 116 14.916 -3.729 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.537 -2.526 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.726 -3.645 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 116 16.455 -5.147 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.118 -5.123 -2.234 1.00 0.00 H new ATOM 1512 N VAL A 117 14.578 0.979 1.502 1.00 0.00 N ATOM 1513 CA VAL A 117 15.162 1.937 2.434 1.00 0.00 C ATOM 1514 C VAL A 117 16.628 2.209 2.112 1.00 0.00 C ATOM 1515 O VAL A 117 17.288 1.401 1.450 1.00 0.00 O ATOM 1516 CB VAL A 117 15.054 1.447 3.891 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.603 1.170 4.254 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.912 0.209 4.114 1.00 0.00 C ATOM 0 H VAL A 117 14.741 0.001 1.742 1.00 0.00 H new ATOM 0 HA VAL A 117 14.593 2.860 2.323 1.00 0.00 H new ATOM 0 HB VAL A 117 15.427 2.236 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.546 0.825 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.020 2.084 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.203 0.402 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.818 -0.117 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.578 -0.589 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.954 0.446 3.901 1.00 0.00 H new ATOM 1528 N TYR A 118 17.130 3.352 2.561 1.00 0.00 N ATOM 1529 CA TYR A 118 18.517 3.735 2.318 1.00 0.00 C ATOM 1530 C TYR A 118 19.480 2.653 2.802 1.00 0.00 C ATOM 1531 O TYR A 118 20.026 1.892 2.012 1.00 0.00 O ATOM 1532 CB TYR A 118 18.830 5.060 3.024 1.00 0.00 C ATOM 1533 CG TYR A 118 18.786 6.257 2.094 1.00 0.00 C ATOM 1534 CD1 TYR A 118 17.574 6.764 1.646 1.00 0.00 C ATOM 1535 CD2 TYR A 118 19.954 6.877 1.671 1.00 0.00 C ATOM 1536 CE1 TYR A 118 17.525 7.857 0.803 1.00 0.00 C ATOM 1537 CE2 TYR A 118 19.915 7.971 0.827 1.00 0.00 C ATOM 1538 CZ TYR A 118 18.698 8.457 0.404 1.00 0.00 C ATOM 1539 OH TYR A 118 18.655 9.547 -0.427 1.00 0.00 O ATOM 0 H TYR A 118 16.595 4.034 3.098 1.00 0.00 H new ATOM 0 HA TYR A 118 18.649 3.857 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.116 5.211 3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 118 19.819 4.997 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 118 16.654 6.296 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 118 20.908 6.499 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 118 16.574 8.238 0.460 1.00 0.00 H new ATOM 0 HE2 TYR A 118 20.832 8.441 0.502 1.00 0.00 H new ATOM 0 HH TYR A 118 19.567 9.852 -0.613 1.00 0.00 H new ATOM 1549 N GLN A 119 19.684 2.593 4.114 1.00 0.00 N ATOM 1550 CA GLN A 119 20.583 1.608 4.706 1.00 0.00 C ATOM 1551 C GLN A 119 19.807 0.576 5.524 1.00 0.00 C ATOM 1552 O GLN A 119 18.790 0.892 6.134 1.00 0.00 O ATOM 1553 CB GLN A 119 21.616 2.302 5.597 1.00 0.00 C ATOM 1554 CG GLN A 119 22.515 3.269 4.845 1.00 0.00 C ATOM 1555 CD GLN A 119 23.529 3.945 5.756 1.00 0.00 C ATOM 1556 OE1 GLN A 119 24.114 3.311 6.626 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.741 5.238 5.534 1.00 0.00 N ATOM 0 H GLN A 119 19.239 3.215 4.788 1.00 0.00 H new ATOM 0 HA GLN A 119 21.095 1.091 3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 119 21.097 2.842 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.234 1.545 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 119 23.041 2.733 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.902 4.029 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 119 23.227 5.720 4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 119 24.418 5.749 6.101 1.00 0.00 H new ATOM 1566 N ILE A 120 20.295 -0.661 5.509 1.00 0.00 N ATOM 1567 CA ILE A 120 19.651 -1.744 6.245 1.00 0.00 C ATOM 1568 C ILE A 120 20.565 -2.283 7.342 1.00 0.00 C ATOM 1569 O ILE A 120 21.784 -2.126 7.278 1.00 0.00 O ATOM 1570 CB ILE A 120 19.240 -2.908 5.313 1.00 0.00 C ATOM 1571 CG1 ILE A 120 20.115 -2.924 4.059 1.00 0.00 C ATOM 1572 CG2 ILE A 120 17.767 -2.794 4.943 1.00 0.00 C ATOM 1573 CD1 ILE A 120 19.744 -4.008 3.069 1.00 0.00 C ATOM 0 H ILE A 120 21.132 -0.938 4.996 1.00 0.00 H new ATOM 0 HA ILE A 120 18.752 -1.322 6.695 1.00 0.00 H new ATOM 0 HB ILE A 120 19.389 -3.849 5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.044 -1.955 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.156 -3.056 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.492 -3.620 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.161 -2.832 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.593 -1.849 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 120 20.408 -3.956 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 120 19.842 -4.984 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 120 18.714 -3.866 2.743 1.00 0.00 H new ATOM 1585 N PRO A 121 19.985 -2.928 8.369 1.00 0.00 N ATOM 1586 CA PRO A 121 20.755 -3.490 9.492 1.00 0.00 C ATOM 1587 C PRO A 121 21.541 -4.732 9.077 1.00 0.00 C ATOM 1588 O PRO A 121 22.660 -4.920 9.597 1.00 0.00 O ATOM 1589 CB PRO A 121 19.679 -3.851 10.509 1.00 0.00 C ATOM 1590 CG PRO A 121 18.454 -4.097 9.699 1.00 0.00 C ATOM 1591 CD PRO A 121 18.536 -3.160 8.532 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.031 -5.506 8.248 1.00 0.00 O ATOM 0 HA PRO A 121 21.500 -2.792 9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.958 -4.735 11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.524 -3.043 11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.409 -5.134 9.365 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.554 -3.912 10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.098 -3.598 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.001 -2.230 8.727 1.00 0.00 H new TER 1600 PRO A 121