USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 37 ASN : amide:sc= -1.86 K(o=-6.2,f=-8.4!) USER MOD Set 1.2: A 68 GLN : amide:sc= -4.33! C(o=-6.2!,f=-10!) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.116) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.028 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -110:sc= -3.03! USER MOD Single : A 31 THR OG1 : rot 170:sc= 0.299 USER MOD Single : A 32 THR OG1 : rot 13:sc= -5.12! USER MOD Single : A 35 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.42) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 153:sc= -2.39! USER MOD Single : A 53 SER OG : rot -1:sc= -1.07 USER MOD Single : A 57 MET CE :methyl -179:sc= 0 (180deg=-0.000811) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.0655 (180deg=-0.724) USER MOD Single : A 71 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.1!) USER MOD Single : A 73 HIS : no HE2:sc= -15.8! C(o=-16!,f=-19!) USER MOD Single : A 75 MET CE :methyl 160:sc= 0 (180deg=-0.33) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 64:sc= 1.09 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -120:sc= 0 USER MOD Single : A 92 SER OG : rot 122:sc=0.000552 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.388 K(o=-0.39,f=-0.96) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.18) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.795 -19.721 -11.946 1.00 0.00 N ATOM 2 CA MET A 1 -12.347 -18.365 -11.662 1.00 0.00 C ATOM 3 C MET A 1 -11.325 -17.301 -12.066 1.00 0.00 C ATOM 4 O MET A 1 -10.239 -17.609 -12.517 1.00 0.00 O ATOM 5 CB MET A 1 -12.646 -18.238 -10.165 1.00 0.00 C ATOM 6 CG MET A 1 -14.160 -18.252 -9.943 1.00 0.00 C ATOM 7 SD MET A 1 -14.553 -19.345 -8.555 1.00 0.00 S ATOM 8 CE MET A 1 -13.866 -18.302 -7.246 1.00 0.00 C ATOM 0 H1 MET A 1 -12.186 -20.404 -11.267 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.054 -20.006 -12.912 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.759 -19.700 -11.858 1.00 0.00 H new ATOM 0 HA MET A 1 -13.265 -18.223 -12.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.180 -19.059 -9.620 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.219 -17.314 -9.775 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.518 -17.243 -9.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.668 -18.594 -10.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.155 -18.701 -6.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.779 -18.289 -7.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.249 -17.287 -7.351 1.00 0.00 H new ATOM 20 N GLN A 2 -11.662 -16.049 -11.909 1.00 0.00 N ATOM 21 CA GLN A 2 -10.709 -14.967 -12.285 1.00 0.00 C ATOM 22 C GLN A 2 -9.614 -14.861 -11.221 1.00 0.00 C ATOM 23 O GLN A 2 -9.721 -15.426 -10.151 1.00 0.00 O ATOM 24 CB GLN A 2 -11.459 -13.638 -12.382 1.00 0.00 C ATOM 25 CG GLN A 2 -12.154 -13.344 -11.053 1.00 0.00 C ATOM 26 CD GLN A 2 -13.654 -13.614 -11.193 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.176 -14.537 -10.601 1.00 0.00 O ATOM 28 NE2 GLN A 2 -14.375 -12.838 -11.957 1.00 0.00 N ATOM 0 H GLN A 2 -12.556 -15.730 -11.537 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.257 -15.199 -13.249 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -10.765 -12.834 -12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.193 -13.681 -13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.733 -13.968 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.985 -12.307 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.937 -12.063 -12.454 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.376 -13.007 -12.056 1.00 0.00 H new ATOM 37 N ARG A 3 -8.561 -14.140 -11.504 1.00 0.00 N ATOM 38 CA ARG A 3 -7.467 -14.006 -10.503 1.00 0.00 C ATOM 39 C ARG A 3 -6.710 -12.697 -10.728 1.00 0.00 C ATOM 40 O ARG A 3 -5.678 -12.671 -11.370 1.00 0.00 O ATOM 41 CB ARG A 3 -6.499 -15.184 -10.642 1.00 0.00 C ATOM 42 CG ARG A 3 -6.132 -15.376 -12.115 1.00 0.00 C ATOM 43 CD ARG A 3 -5.266 -16.629 -12.267 1.00 0.00 C ATOM 44 NE ARG A 3 -3.865 -16.319 -11.861 1.00 0.00 N ATOM 45 CZ ARG A 3 -3.191 -15.395 -12.488 1.00 0.00 C ATOM 46 NH1 ARG A 3 -3.340 -15.238 -13.776 1.00 0.00 N ATOM 47 NH2 ARG A 3 -2.366 -14.627 -11.829 1.00 0.00 N ATOM 0 H ARG A 3 -8.413 -13.641 -12.381 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.899 -14.003 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.600 -15.000 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.957 -16.092 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.036 -15.471 -12.717 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.594 -14.502 -12.483 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.664 -17.436 -11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.288 -16.976 -13.300 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.433 -16.831 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.984 -15.838 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.813 -14.515 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.248 -14.749 -10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.839 -13.905 -12.320 1.00 0.00 H new ATOM 61 N GLY A 4 -7.206 -11.608 -10.203 1.00 0.00 N ATOM 62 CA GLY A 4 -6.498 -10.313 -10.395 1.00 0.00 C ATOM 63 C GLY A 4 -6.421 -9.553 -9.066 1.00 0.00 C ATOM 64 O GLY A 4 -7.265 -8.732 -8.763 1.00 0.00 O ATOM 0 H GLY A 4 -8.064 -11.561 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.494 -10.492 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.021 -9.710 -11.138 1.00 0.00 H new ATOM 68 N ILE A 5 -5.407 -9.805 -8.277 1.00 0.00 N ATOM 69 CA ILE A 5 -5.280 -9.075 -6.978 1.00 0.00 C ATOM 70 C ILE A 5 -4.506 -7.784 -7.223 1.00 0.00 C ATOM 71 O ILE A 5 -3.296 -7.740 -7.089 1.00 0.00 O ATOM 72 CB ILE A 5 -4.528 -9.913 -5.927 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.201 -11.312 -6.460 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.393 -10.047 -4.675 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.488 -12.027 -6.856 1.00 0.00 C ATOM 0 H ILE A 5 -4.667 -10.479 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.281 -8.871 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.592 -9.405 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.536 -11.237 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.674 -11.887 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.864 -10.640 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.603 -9.057 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.331 -10.540 -4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.250 -13.021 -7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.138 -12.116 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.998 -11.456 -7.632 1.00 0.00 H new ATOM 87 N VAL A 6 -5.190 -6.734 -7.590 1.00 0.00 N ATOM 88 CA VAL A 6 -4.485 -5.452 -7.854 1.00 0.00 C ATOM 89 C VAL A 6 -4.637 -4.518 -6.645 1.00 0.00 C ATOM 90 O VAL A 6 -5.713 -4.043 -6.336 1.00 0.00 O ATOM 91 CB VAL A 6 -5.055 -4.811 -9.134 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.189 -3.833 -8.807 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.939 -4.062 -9.864 1.00 0.00 C ATOM 0 H VAL A 6 -6.202 -6.710 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.421 -5.635 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.456 -5.604 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.571 -3.397 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.993 -4.365 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.811 -3.041 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.339 -3.607 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.537 -3.284 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.145 -4.760 -10.128 1.00 0.00 H new ATOM 103 N TRP A 7 -3.563 -4.267 -5.946 1.00 0.00 N ATOM 104 CA TRP A 7 -3.640 -3.379 -4.756 1.00 0.00 C ATOM 105 C TRP A 7 -3.104 -1.998 -5.144 1.00 0.00 C ATOM 106 O TRP A 7 -1.923 -1.814 -5.362 1.00 0.00 O ATOM 107 CB TRP A 7 -2.823 -3.990 -3.615 1.00 0.00 C ATOM 108 CG TRP A 7 -3.490 -5.258 -3.175 1.00 0.00 C ATOM 109 CD1 TRP A 7 -3.998 -6.197 -4.009 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.742 -5.744 -1.821 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.545 -7.216 -3.260 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.411 -6.988 -1.911 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.460 -5.237 -0.539 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -4.787 -7.702 -0.777 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.838 -5.956 0.608 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.501 -7.187 0.486 1.00 0.00 C ATOM 0 H TRP A 7 -2.636 -4.640 -6.150 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.671 -3.275 -4.416 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.804 -4.193 -3.946 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.754 -3.290 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -3.978 -6.154 -5.088 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.995 -8.040 -3.658 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.950 -4.290 -0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.297 -8.649 -0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.617 -5.559 1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.789 -7.735 1.371 1.00 0.00 H new ATOM 127 N VAL A 8 -3.982 -1.043 -5.280 1.00 0.00 N ATOM 128 CA VAL A 8 -3.569 0.320 -5.708 1.00 0.00 C ATOM 129 C VAL A 8 -3.117 1.175 -4.518 1.00 0.00 C ATOM 130 O VAL A 8 -3.328 0.837 -3.370 1.00 0.00 O ATOM 131 CB VAL A 8 -4.772 0.986 -6.405 1.00 0.00 C ATOM 132 CG1 VAL A 8 -5.554 1.874 -5.427 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.273 1.838 -7.572 1.00 0.00 C ATOM 0 H VAL A 8 -4.982 -1.153 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.721 0.239 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.437 0.202 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.397 2.331 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.922 1.267 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.899 2.655 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.122 2.310 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.597 2.607 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.744 1.205 -8.284 1.00 0.00 H new ATOM 143 N VAL A 9 -2.531 2.302 -4.812 1.00 0.00 N ATOM 144 CA VAL A 9 -2.090 3.235 -3.743 1.00 0.00 C ATOM 145 C VAL A 9 -2.800 4.567 -3.981 1.00 0.00 C ATOM 146 O VAL A 9 -2.360 5.389 -4.767 1.00 0.00 O ATOM 147 CB VAL A 9 -0.575 3.435 -3.809 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.160 4.518 -2.811 1.00 0.00 C ATOM 149 CG2 VAL A 9 0.126 2.122 -3.452 1.00 0.00 C ATOM 0 H VAL A 9 -2.337 2.619 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.335 2.834 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.292 3.740 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.920 4.661 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.661 5.453 -3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.442 4.212 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.206 2.262 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.158 1.820 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.170 1.347 -4.159 1.00 0.00 H new ATOM 159 N ASP A 10 -3.914 4.768 -3.333 1.00 0.00 N ATOM 160 CA ASP A 10 -4.685 6.019 -3.532 1.00 0.00 C ATOM 161 C ASP A 10 -4.290 7.062 -2.485 1.00 0.00 C ATOM 162 O ASP A 10 -3.367 6.873 -1.717 1.00 0.00 O ATOM 163 CB ASP A 10 -6.171 5.702 -3.394 1.00 0.00 C ATOM 164 CG ASP A 10 -6.644 4.929 -4.627 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.243 5.294 -5.720 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.398 3.986 -4.457 1.00 0.00 O ATOM 0 H ASP A 10 -4.324 4.111 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.472 6.422 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.346 5.114 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.742 6.624 -3.288 1.00 0.00 H new ATOM 171 N ASP A 11 -4.989 8.164 -2.454 1.00 0.00 N ATOM 172 CA ASP A 11 -4.672 9.230 -1.466 1.00 0.00 C ATOM 173 C ASP A 11 -5.910 9.512 -0.610 1.00 0.00 C ATOM 174 O ASP A 11 -5.847 10.217 0.377 1.00 0.00 O ATOM 175 CB ASP A 11 -4.268 10.505 -2.210 1.00 0.00 C ATOM 176 CG ASP A 11 -3.835 11.570 -1.199 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.138 11.218 -0.261 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.209 12.717 -1.379 1.00 0.00 O ATOM 0 H ASP A 11 -5.771 8.371 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.852 8.905 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.453 10.292 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.104 10.872 -2.805 1.00 0.00 H new ATOM 183 N ASP A 12 -7.036 8.965 -0.982 1.00 0.00 N ATOM 184 CA ASP A 12 -8.277 9.200 -0.191 1.00 0.00 C ATOM 185 C ASP A 12 -9.165 7.955 -0.252 1.00 0.00 C ATOM 186 O ASP A 12 -8.978 7.089 -1.084 1.00 0.00 O ATOM 187 CB ASP A 12 -9.035 10.393 -0.776 1.00 0.00 C ATOM 188 CG ASP A 12 -8.575 11.678 -0.087 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.205 11.604 1.074 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.600 12.714 -0.730 1.00 0.00 O ATOM 0 H ASP A 12 -7.150 8.366 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.013 9.408 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.857 10.460 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.108 10.258 -0.639 1.00 0.00 H new ATOM 195 N SER A 13 -10.131 7.860 0.620 1.00 0.00 N ATOM 196 CA SER A 13 -11.033 6.673 0.607 1.00 0.00 C ATOM 197 C SER A 13 -11.920 6.722 -0.639 1.00 0.00 C ATOM 198 O SER A 13 -12.135 5.724 -1.300 1.00 0.00 O ATOM 199 CB SER A 13 -11.910 6.684 1.861 1.00 0.00 C ATOM 200 OG SER A 13 -12.075 5.351 2.330 1.00 0.00 O ATOM 0 H SER A 13 -10.335 8.552 1.341 1.00 0.00 H new ATOM 0 HA SER A 13 -10.435 5.762 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.451 7.300 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.881 7.126 1.636 1.00 0.00 H new ATOM 0 HG SER A 13 -12.635 5.354 3.134 1.00 0.00 H new ATOM 206 N SER A 14 -12.435 7.875 -0.966 1.00 0.00 N ATOM 207 CA SER A 14 -13.304 7.990 -2.170 1.00 0.00 C ATOM 208 C SER A 14 -12.556 7.446 -3.387 1.00 0.00 C ATOM 209 O SER A 14 -13.152 7.015 -4.353 1.00 0.00 O ATOM 210 CB SER A 14 -13.656 9.458 -2.406 1.00 0.00 C ATOM 211 OG SER A 14 -12.456 10.208 -2.544 1.00 0.00 O ATOM 0 H SER A 14 -12.291 8.743 -0.451 1.00 0.00 H new ATOM 0 HA SER A 14 -14.218 7.417 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.267 9.559 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.246 9.842 -1.573 1.00 0.00 H new ATOM 0 HG SER A 14 -12.675 11.151 -2.697 1.00 0.00 H new ATOM 217 N ILE A 15 -11.252 7.461 -3.345 1.00 0.00 N ATOM 218 CA ILE A 15 -10.464 6.945 -4.494 1.00 0.00 C ATOM 219 C ILE A 15 -10.589 5.420 -4.543 1.00 0.00 C ATOM 220 O ILE A 15 -10.777 4.828 -5.592 1.00 0.00 O ATOM 221 CB ILE A 15 -9.001 7.345 -4.301 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.919 8.842 -3.986 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.216 7.053 -5.581 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.797 9.624 -4.967 1.00 0.00 C ATOM 0 H ILE A 15 -10.699 7.810 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.836 7.363 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.576 6.773 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.246 9.027 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.886 9.182 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.173 7.339 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.273 5.988 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.641 7.623 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.737 10.688 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.449 9.449 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.831 9.291 -4.875 1.00 0.00 H new ATOM 236 N ARG A 16 -10.500 4.782 -3.407 1.00 0.00 N ATOM 237 CA ARG A 16 -10.623 3.298 -3.365 1.00 0.00 C ATOM 238 C ARG A 16 -11.948 2.901 -4.021 1.00 0.00 C ATOM 239 O ARG A 16 -12.013 1.976 -4.807 1.00 0.00 O ATOM 240 CB ARG A 16 -10.585 2.834 -1.897 1.00 0.00 C ATOM 241 CG ARG A 16 -11.399 1.547 -1.711 1.00 0.00 C ATOM 242 CD ARG A 16 -10.973 0.854 -0.416 1.00 0.00 C ATOM 243 NE ARG A 16 -11.920 1.217 0.677 1.00 0.00 N ATOM 244 CZ ARG A 16 -13.208 1.138 0.480 1.00 0.00 C ATOM 245 NH1 ARG A 16 -13.698 0.191 -0.274 1.00 0.00 N ATOM 246 NH2 ARG A 16 -14.006 2.004 1.040 1.00 0.00 N ATOM 0 H ARG A 16 -10.347 5.228 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.801 2.826 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.553 2.664 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.983 3.618 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.463 1.779 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.244 0.881 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.960 -0.227 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.960 1.152 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.561 1.527 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.074 -0.488 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.705 0.130 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.624 2.742 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.013 1.943 0.887 1.00 0.00 H new ATOM 260 N TRP A 17 -13.003 3.600 -3.704 1.00 0.00 N ATOM 261 CA TRP A 17 -14.322 3.270 -4.309 1.00 0.00 C ATOM 262 C TRP A 17 -14.228 3.415 -5.827 1.00 0.00 C ATOM 263 O TRP A 17 -14.495 2.488 -6.560 1.00 0.00 O ATOM 264 CB TRP A 17 -15.385 4.232 -3.772 1.00 0.00 C ATOM 265 CG TRP A 17 -16.742 3.756 -4.180 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.328 2.616 -3.747 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.691 4.384 -5.091 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.577 2.505 -4.333 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.845 3.570 -5.170 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.662 5.568 -5.848 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.933 3.918 -5.970 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.756 5.922 -6.656 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.889 5.098 -6.717 1.00 0.00 C ATOM 0 H TRP A 17 -13.008 4.385 -3.052 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.597 2.247 -4.053 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.321 4.292 -2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.209 5.236 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -16.892 1.908 -3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.221 1.731 -4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.794 6.209 -5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.803 3.280 -6.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.724 6.834 -7.233 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.726 5.375 -7.340 1.00 0.00 H new ATOM 284 N VAL A 18 -13.871 4.581 -6.298 1.00 0.00 N ATOM 285 CA VAL A 18 -13.773 4.813 -7.770 1.00 0.00 C ATOM 286 C VAL A 18 -13.248 3.560 -8.484 1.00 0.00 C ATOM 287 O VAL A 18 -13.918 2.976 -9.320 1.00 0.00 O ATOM 288 CB VAL A 18 -12.808 5.974 -8.016 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.444 6.040 -9.500 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.477 7.287 -7.600 1.00 0.00 C ATOM 0 H VAL A 18 -13.641 5.390 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.763 5.045 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.903 5.819 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.757 6.869 -9.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.968 5.106 -9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.348 6.192 -10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.791 8.116 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.383 7.436 -8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.734 7.245 -6.542 1.00 0.00 H new ATOM 300 N LEU A 19 -12.049 3.149 -8.170 1.00 0.00 N ATOM 301 CA LEU A 19 -11.479 1.945 -8.844 1.00 0.00 C ATOM 302 C LEU A 19 -12.397 0.741 -8.631 1.00 0.00 C ATOM 303 O LEU A 19 -13.001 0.248 -9.562 1.00 0.00 O ATOM 304 CB LEU A 19 -10.090 1.642 -8.279 1.00 0.00 C ATOM 305 CG LEU A 19 -9.078 1.613 -9.426 1.00 0.00 C ATOM 306 CD1 LEU A 19 -8.045 2.723 -9.228 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.375 0.254 -9.450 1.00 0.00 C ATOM 0 H LEU A 19 -11.442 3.591 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.396 2.144 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.808 2.400 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.096 0.684 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.597 1.770 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.325 2.700 -10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.548 3.690 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.524 2.571 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.654 0.232 -10.267 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.857 0.096 -8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.113 -0.535 -9.596 1.00 0.00 H new ATOM 319 N GLU A 20 -12.482 0.253 -7.423 1.00 0.00 N ATOM 320 CA GLU A 20 -13.345 -0.938 -7.137 1.00 0.00 C ATOM 321 C GLU A 20 -14.597 -0.916 -8.019 1.00 0.00 C ATOM 322 O GLU A 20 -15.106 -1.944 -8.415 1.00 0.00 O ATOM 323 CB GLU A 20 -13.767 -0.909 -5.667 1.00 0.00 C ATOM 324 CG GLU A 20 -13.472 -2.265 -5.022 1.00 0.00 C ATOM 325 CD GLU A 20 -14.522 -3.284 -5.470 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.306 -3.918 -6.490 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.524 -3.413 -4.786 1.00 0.00 O ATOM 0 H GLU A 20 -11.988 0.629 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.779 -1.845 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.231 -0.120 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.830 -0.681 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.476 -2.605 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.480 -2.172 -3.936 1.00 0.00 H new ATOM 334 N ARG A 21 -15.093 0.251 -8.338 1.00 0.00 N ATOM 335 CA ARG A 21 -16.302 0.332 -9.204 1.00 0.00 C ATOM 336 C ARG A 21 -15.927 -0.173 -10.592 1.00 0.00 C ATOM 337 O ARG A 21 -16.516 -1.099 -11.112 1.00 0.00 O ATOM 338 CB ARG A 21 -16.780 1.783 -9.295 1.00 0.00 C ATOM 339 CG ARG A 21 -18.003 1.861 -10.212 1.00 0.00 C ATOM 340 CD ARG A 21 -19.153 1.062 -9.598 1.00 0.00 C ATOM 341 NE ARG A 21 -19.244 1.364 -8.143 1.00 0.00 N ATOM 342 CZ ARG A 21 -18.767 0.520 -7.272 1.00 0.00 C ATOM 343 NH1 ARG A 21 -19.186 -0.716 -7.266 1.00 0.00 N ATOM 344 NH2 ARG A 21 -17.872 0.912 -6.408 1.00 0.00 N ATOM 0 H ARG A 21 -14.713 1.148 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.105 -0.274 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.032 2.157 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.982 2.417 -9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.301 2.900 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.757 1.466 -11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -20.091 1.315 -10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.991 -0.005 -9.750 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.679 2.231 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.886 -1.020 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.813 -1.378 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.546 1.878 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.498 0.252 -5.726 1.00 0.00 H new ATOM 358 N ALA A 22 -14.925 0.417 -11.186 1.00 0.00 N ATOM 359 CA ALA A 22 -14.483 -0.042 -12.531 1.00 0.00 C ATOM 360 C ALA A 22 -13.865 -1.441 -12.405 1.00 0.00 C ATOM 361 O ALA A 22 -13.522 -2.068 -13.386 1.00 0.00 O ATOM 362 CB ALA A 22 -13.435 0.930 -13.075 1.00 0.00 C ATOM 0 H ALA A 22 -14.395 1.197 -10.797 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.335 -0.077 -13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.108 0.598 -14.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.869 1.927 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.580 0.959 -12.399 1.00 0.00 H new ATOM 368 N LEU A 23 -13.715 -1.929 -11.200 1.00 0.00 N ATOM 369 CA LEU A 23 -13.112 -3.276 -11.001 1.00 0.00 C ATOM 370 C LEU A 23 -14.208 -4.307 -10.708 1.00 0.00 C ATOM 371 O LEU A 23 -13.973 -5.505 -10.731 1.00 0.00 O ATOM 372 CB LEU A 23 -12.152 -3.213 -9.817 1.00 0.00 C ATOM 373 CG LEU A 23 -10.722 -3.039 -10.328 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.331 -4.242 -11.188 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.639 -1.762 -11.167 1.00 0.00 C ATOM 0 H LEU A 23 -13.987 -1.448 -10.343 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.580 -3.572 -11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.419 -2.383 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.229 -4.124 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.039 -2.967 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.311 -4.114 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.392 -5.152 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.011 -4.319 -12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.621 -1.633 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.323 -1.837 -12.013 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.914 -0.905 -10.553 1.00 0.00 H new ATOM 387 N ALA A 24 -15.400 -3.853 -10.428 1.00 0.00 N ATOM 388 CA ALA A 24 -16.509 -4.802 -10.131 1.00 0.00 C ATOM 389 C ALA A 24 -17.059 -5.357 -11.444 1.00 0.00 C ATOM 390 O ALA A 24 -17.356 -6.530 -11.559 1.00 0.00 O ATOM 391 CB ALA A 24 -17.622 -4.069 -9.378 1.00 0.00 C ATOM 0 H ALA A 24 -15.653 -2.865 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.137 -5.620 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.433 -4.764 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.227 -3.669 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.999 -3.251 -9.992 1.00 0.00 H new ATOM 397 N GLY A 25 -17.191 -4.523 -12.439 1.00 0.00 N ATOM 398 CA GLY A 25 -17.712 -5.005 -13.748 1.00 0.00 C ATOM 399 C GLY A 25 -16.764 -6.068 -14.303 1.00 0.00 C ATOM 400 O GLY A 25 -17.187 -7.063 -14.857 1.00 0.00 O ATOM 0 H GLY A 25 -16.961 -3.530 -12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.712 -5.421 -13.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.796 -4.174 -14.448 1.00 0.00 H new ATOM 404 N ALA A 26 -15.484 -5.867 -14.150 1.00 0.00 N ATOM 405 CA ALA A 26 -14.506 -6.866 -14.660 1.00 0.00 C ATOM 406 C ALA A 26 -14.534 -8.105 -13.760 1.00 0.00 C ATOM 407 O ALA A 26 -14.336 -9.215 -14.211 1.00 0.00 O ATOM 408 CB ALA A 26 -13.102 -6.255 -14.650 1.00 0.00 C ATOM 0 H ALA A 26 -15.074 -5.053 -13.693 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.769 -7.150 -15.679 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.385 -6.986 -15.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.085 -5.371 -15.288 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.835 -5.972 -13.632 1.00 0.00 H new ATOM 414 N GLY A 27 -14.781 -7.923 -12.491 1.00 0.00 N ATOM 415 CA GLY A 27 -14.826 -9.090 -11.562 1.00 0.00 C ATOM 416 C GLY A 27 -13.409 -9.427 -11.090 1.00 0.00 C ATOM 417 O GLY A 27 -12.869 -10.466 -11.413 1.00 0.00 O ATOM 0 H GLY A 27 -14.954 -7.016 -12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.460 -8.861 -10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.267 -9.951 -12.065 1.00 0.00 H new ATOM 421 N LEU A 28 -12.798 -8.553 -10.336 1.00 0.00 N ATOM 422 CA LEU A 28 -11.410 -8.826 -9.856 1.00 0.00 C ATOM 423 C LEU A 28 -11.281 -8.496 -8.376 1.00 0.00 C ATOM 424 O LEU A 28 -12.225 -8.117 -7.713 1.00 0.00 O ATOM 425 CB LEU A 28 -10.433 -7.941 -10.620 1.00 0.00 C ATOM 426 CG LEU A 28 -9.448 -8.806 -11.397 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.144 -9.405 -12.620 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.280 -7.934 -11.849 1.00 0.00 C ATOM 0 H LEU A 28 -13.197 -7.665 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.191 -9.882 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.977 -7.290 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.895 -7.295 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.084 -9.615 -10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.438 -10.023 -13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.986 -10.017 -12.296 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.505 -8.602 -13.263 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.567 -8.541 -12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.651 -7.132 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.787 -7.505 -10.976 1.00 0.00 H new ATOM 440 N THR A 29 -10.090 -8.623 -7.871 1.00 0.00 N ATOM 441 CA THR A 29 -9.832 -8.305 -6.439 1.00 0.00 C ATOM 442 C THR A 29 -9.232 -6.903 -6.374 1.00 0.00 C ATOM 443 O THR A 29 -8.033 -6.729 -6.255 1.00 0.00 O ATOM 444 CB THR A 29 -8.844 -9.316 -5.853 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.483 -10.578 -5.719 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.369 -8.831 -4.478 1.00 0.00 C ATOM 0 H THR A 29 -9.273 -8.937 -8.394 1.00 0.00 H new ATOM 0 HA THR A 29 -10.758 -8.352 -5.866 1.00 0.00 H new ATOM 0 HB THR A 29 -7.985 -9.413 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.851 -11.227 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.665 -9.552 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.878 -7.863 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.225 -8.733 -3.811 1.00 0.00 H new ATOM 454 N CYS A 30 -10.057 -5.904 -6.495 1.00 0.00 N ATOM 455 CA CYS A 30 -9.551 -4.509 -6.484 1.00 0.00 C ATOM 456 C CYS A 30 -9.288 -4.026 -5.063 1.00 0.00 C ATOM 457 O CYS A 30 -10.104 -3.353 -4.465 1.00 0.00 O ATOM 458 CB CYS A 30 -10.594 -3.609 -7.125 1.00 0.00 C ATOM 459 SG CYS A 30 -9.966 -1.915 -7.212 1.00 0.00 S ATOM 0 H CYS A 30 -11.067 -5.996 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.612 -4.475 -7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.835 -3.970 -8.125 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.517 -3.636 -6.546 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.623 -1.165 -6.377 1.00 0.00 H new ATOM 465 N THR A 31 -8.139 -4.319 -4.533 1.00 0.00 N ATOM 466 CA THR A 31 -7.816 -3.823 -3.174 1.00 0.00 C ATOM 467 C THR A 31 -7.178 -2.447 -3.353 1.00 0.00 C ATOM 468 O THR A 31 -6.434 -2.235 -4.280 1.00 0.00 O ATOM 469 CB THR A 31 -6.830 -4.780 -2.492 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.535 -5.913 -2.005 1.00 0.00 O ATOM 471 CG2 THR A 31 -6.137 -4.069 -1.328 1.00 0.00 C ATOM 0 H THR A 31 -7.412 -4.878 -4.980 1.00 0.00 H new ATOM 0 HA THR A 31 -8.708 -3.762 -2.550 1.00 0.00 H new ATOM 0 HB THR A 31 -6.078 -5.099 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.895 -6.596 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.438 -4.754 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.595 -3.201 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.884 -3.745 -0.603 1.00 0.00 H new ATOM 479 N THR A 32 -7.467 -1.505 -2.505 1.00 0.00 N ATOM 480 CA THR A 32 -6.857 -0.158 -2.687 1.00 0.00 C ATOM 481 C THR A 32 -6.602 0.484 -1.325 1.00 0.00 C ATOM 482 O THR A 32 -7.512 0.709 -0.552 1.00 0.00 O ATOM 483 CB THR A 32 -7.800 0.735 -3.490 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.991 0.956 -2.748 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.141 0.059 -4.819 1.00 0.00 C ATOM 0 H THR A 32 -8.090 -1.604 -1.703 1.00 0.00 H new ATOM 0 HA THR A 32 -5.914 -0.269 -3.222 1.00 0.00 H new ATOM 0 HB THR A 32 -7.313 1.690 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.858 0.664 -1.822 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.814 0.698 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.226 -0.106 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.626 -0.898 -4.627 1.00 0.00 H new ATOM 493 N PHE A 33 -5.372 0.786 -1.029 1.00 0.00 N ATOM 494 CA PHE A 33 -5.055 1.420 0.277 1.00 0.00 C ATOM 495 C PHE A 33 -4.794 2.911 0.057 1.00 0.00 C ATOM 496 O PHE A 33 -4.037 3.297 -0.810 1.00 0.00 O ATOM 497 CB PHE A 33 -3.817 0.752 0.868 1.00 0.00 C ATOM 498 CG PHE A 33 -4.239 -0.429 1.708 1.00 0.00 C ATOM 499 CD1 PHE A 33 -4.798 -0.225 2.975 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.073 -1.729 1.217 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.190 -1.321 3.752 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.465 -2.826 1.995 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.024 -2.622 3.262 1.00 0.00 C ATOM 0 H PHE A 33 -4.570 0.621 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.890 1.300 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.150 0.425 0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.261 1.465 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.927 0.778 3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.643 -1.886 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.621 -1.163 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.336 -3.829 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.327 -3.468 3.861 1.00 0.00 H new ATOM 513 N GLU A 34 -5.433 3.751 0.823 1.00 0.00 N ATOM 514 CA GLU A 34 -5.248 5.221 0.648 1.00 0.00 C ATOM 515 C GLU A 34 -3.797 5.628 0.940 1.00 0.00 C ATOM 516 O GLU A 34 -3.412 6.757 0.714 1.00 0.00 O ATOM 517 CB GLU A 34 -6.180 5.961 1.611 1.00 0.00 C ATOM 518 CG GLU A 34 -5.917 7.466 1.520 1.00 0.00 C ATOM 519 CD GLU A 34 -5.216 7.941 2.795 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.517 7.142 3.395 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.391 9.095 3.147 1.00 0.00 O ATOM 0 H GLU A 34 -6.078 3.483 1.566 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.482 5.482 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.220 5.747 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.017 5.613 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.299 7.686 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.857 8.003 1.388 1.00 0.00 H new ATOM 528 N ASN A 35 -2.987 4.738 1.446 1.00 0.00 N ATOM 529 CA ASN A 35 -1.576 5.126 1.746 1.00 0.00 C ATOM 530 C ASN A 35 -0.610 4.028 1.291 1.00 0.00 C ATOM 531 O ASN A 35 -0.809 2.860 1.557 1.00 0.00 O ATOM 532 CB ASN A 35 -1.418 5.347 3.252 1.00 0.00 C ATOM 533 CG ASN A 35 -0.383 6.447 3.500 1.00 0.00 C ATOM 534 OD1 ASN A 35 -0.461 7.512 2.918 1.00 0.00 O ATOM 535 ND2 ASN A 35 0.591 6.235 4.343 1.00 0.00 N ATOM 0 H ASN A 35 -3.234 3.772 1.663 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.343 6.045 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.375 5.628 3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.104 4.422 3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.286 6.962 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.657 5.342 4.832 1.00 0.00 H new ATOM 542 N GLY A 36 0.446 4.404 0.618 1.00 0.00 N ATOM 543 CA GLY A 36 1.443 3.398 0.151 1.00 0.00 C ATOM 544 C GLY A 36 1.858 2.515 1.323 1.00 0.00 C ATOM 545 O GLY A 36 1.686 1.314 1.300 1.00 0.00 O ATOM 0 H GLY A 36 0.661 5.370 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.015 2.788 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.315 3.901 -0.267 1.00 0.00 H new ATOM 549 N ASN A 37 2.409 3.100 2.349 1.00 0.00 N ATOM 550 CA ASN A 37 2.833 2.286 3.514 1.00 0.00 C ATOM 551 C ASN A 37 1.699 1.321 3.886 1.00 0.00 C ATOM 552 O ASN A 37 1.788 0.140 3.650 1.00 0.00 O ATOM 553 CB ASN A 37 3.139 3.206 4.699 1.00 0.00 C ATOM 554 CG ASN A 37 4.639 3.167 5.004 1.00 0.00 C ATOM 555 OD1 ASN A 37 5.361 4.084 4.669 1.00 0.00 O ATOM 556 ND2 ASN A 37 5.141 2.137 5.633 1.00 0.00 N ATOM 0 H ASN A 37 2.582 4.102 2.429 1.00 0.00 H new ATOM 0 HA ASN A 37 3.730 1.720 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.830 4.226 4.470 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.571 2.890 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.139 2.104 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.535 1.366 5.915 1.00 0.00 H new ATOM 563 N GLU A 38 0.638 1.822 4.473 1.00 0.00 N ATOM 564 CA GLU A 38 -0.508 0.940 4.868 1.00 0.00 C ATOM 565 C GLU A 38 -0.662 -0.221 3.878 1.00 0.00 C ATOM 566 O GLU A 38 -1.020 -1.322 4.251 1.00 0.00 O ATOM 567 CB GLU A 38 -1.798 1.763 4.876 1.00 0.00 C ATOM 568 CG GLU A 38 -2.801 1.131 5.844 1.00 0.00 C ATOM 569 CD GLU A 38 -2.168 1.014 7.231 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.489 1.945 7.632 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.371 -0.006 7.870 1.00 0.00 O ATOM 0 H GLU A 38 0.515 2.810 4.697 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.311 0.535 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.585 2.789 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.222 1.805 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.705 1.738 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.098 0.146 5.484 1.00 0.00 H new ATOM 578 N VAL A 39 -0.385 0.009 2.622 1.00 0.00 N ATOM 579 CA VAL A 39 -0.502 -1.074 1.621 1.00 0.00 C ATOM 580 C VAL A 39 0.469 -2.195 1.985 1.00 0.00 C ATOM 581 O VAL A 39 0.079 -3.328 2.190 1.00 0.00 O ATOM 582 CB VAL A 39 -0.135 -0.505 0.260 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.490 -1.511 -0.825 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.906 0.793 0.032 1.00 0.00 C ATOM 0 H VAL A 39 -0.081 0.909 2.251 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.518 -1.469 1.600 1.00 0.00 H new ATOM 0 HB VAL A 39 0.935 -0.303 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.227 -1.102 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.062 -2.436 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.560 -1.716 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.646 1.204 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.977 0.591 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.647 1.511 0.810 1.00 0.00 H new ATOM 594 N LEU A 40 1.734 -1.886 2.074 1.00 0.00 N ATOM 595 CA LEU A 40 2.728 -2.932 2.436 1.00 0.00 C ATOM 596 C LEU A 40 2.418 -3.458 3.839 1.00 0.00 C ATOM 597 O LEU A 40 2.947 -4.466 4.267 1.00 0.00 O ATOM 598 CB LEU A 40 4.151 -2.349 2.393 1.00 0.00 C ATOM 599 CG LEU A 40 4.233 -1.029 3.162 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.924 -1.260 4.644 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.649 -0.478 3.046 1.00 0.00 C ATOM 0 H LEU A 40 2.120 -0.956 1.912 1.00 0.00 H new ATOM 0 HA LEU A 40 2.668 -3.751 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.853 -3.065 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.450 -2.188 1.357 1.00 0.00 H new ATOM 0 HG LEU A 40 3.509 -0.329 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.986 -0.313 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.919 -1.670 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.647 -1.961 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.719 0.463 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.354 -1.194 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.889 -0.308 1.996 1.00 0.00 H new ATOM 613 N ALA A 41 1.563 -2.781 4.555 1.00 0.00 N ATOM 614 CA ALA A 41 1.208 -3.229 5.928 1.00 0.00 C ATOM 615 C ALA A 41 0.161 -4.341 5.839 1.00 0.00 C ATOM 616 O ALA A 41 0.099 -5.218 6.679 1.00 0.00 O ATOM 617 CB ALA A 41 0.636 -2.043 6.710 1.00 0.00 C ATOM 0 H ALA A 41 1.093 -1.931 4.244 1.00 0.00 H new ATOM 0 HA ALA A 41 2.095 -3.607 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.373 -2.364 7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.382 -1.250 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.255 -1.670 6.205 1.00 0.00 H new ATOM 623 N ALA A 42 -0.662 -4.314 4.824 1.00 0.00 N ATOM 624 CA ALA A 42 -1.703 -5.368 4.679 1.00 0.00 C ATOM 625 C ALA A 42 -1.132 -6.555 3.893 1.00 0.00 C ATOM 626 O ALA A 42 -1.549 -7.682 4.068 1.00 0.00 O ATOM 627 CB ALA A 42 -2.910 -4.792 3.934 1.00 0.00 C ATOM 0 H ALA A 42 -0.657 -3.606 4.090 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.013 -5.708 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.673 -5.563 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.318 -3.953 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.599 -4.450 2.947 1.00 0.00 H new ATOM 633 N LEU A 43 -0.182 -6.312 3.028 1.00 0.00 N ATOM 634 CA LEU A 43 0.414 -7.427 2.236 1.00 0.00 C ATOM 635 C LEU A 43 1.576 -8.047 3.007 1.00 0.00 C ATOM 636 O LEU A 43 2.285 -8.893 2.503 1.00 0.00 O ATOM 637 CB LEU A 43 0.931 -6.874 0.922 1.00 0.00 C ATOM 638 CG LEU A 43 -0.185 -6.920 -0.125 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.263 -6.171 -1.380 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.496 -8.377 -0.486 1.00 0.00 C ATOM 0 H LEU A 43 0.207 -5.389 2.836 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.344 -8.188 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.276 -5.849 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.788 -7.456 0.582 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.080 -6.450 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.531 -6.203 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.481 -5.133 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.160 -6.641 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.291 -8.405 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.398 -8.850 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.817 -8.913 0.407 1.00 0.00 H new ATOM 652 N ALA A 44 1.773 -7.619 4.219 1.00 0.00 N ATOM 653 CA ALA A 44 2.885 -8.161 5.057 1.00 0.00 C ATOM 654 C ALA A 44 3.077 -9.657 4.784 1.00 0.00 C ATOM 655 O ALA A 44 4.167 -10.180 4.902 1.00 0.00 O ATOM 656 CB ALA A 44 2.555 -7.955 6.537 1.00 0.00 C ATOM 0 H ALA A 44 1.204 -6.906 4.675 1.00 0.00 H new ATOM 0 HA ALA A 44 3.805 -7.633 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.366 -8.350 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.434 -6.891 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.630 -8.477 6.780 1.00 0.00 H new ATOM 662 N SER A 45 2.037 -10.352 4.406 1.00 0.00 N ATOM 663 CA SER A 45 2.185 -11.804 4.117 1.00 0.00 C ATOM 664 C SER A 45 3.159 -11.962 2.953 1.00 0.00 C ATOM 665 O SER A 45 4.172 -12.625 3.059 1.00 0.00 O ATOM 666 CB SER A 45 0.827 -12.393 3.736 1.00 0.00 C ATOM 667 OG SER A 45 0.921 -13.813 3.719 1.00 0.00 O ATOM 0 H SER A 45 1.096 -9.977 4.286 1.00 0.00 H new ATOM 0 HA SER A 45 2.561 -12.327 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.066 -12.075 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.519 -12.025 2.757 1.00 0.00 H new ATOM 0 HG SER A 45 0.052 -14.196 3.477 1.00 0.00 H new ATOM 673 N LYS A 46 2.865 -11.340 1.843 1.00 0.00 N ATOM 674 CA LYS A 46 3.773 -11.431 0.676 1.00 0.00 C ATOM 675 C LYS A 46 3.145 -10.758 -0.546 1.00 0.00 C ATOM 676 O LYS A 46 2.196 -10.007 -0.441 1.00 0.00 O ATOM 677 CB LYS A 46 4.071 -12.892 0.369 1.00 0.00 C ATOM 678 CG LYS A 46 5.580 -13.052 0.265 1.00 0.00 C ATOM 679 CD LYS A 46 6.063 -14.091 1.276 1.00 0.00 C ATOM 680 CE LYS A 46 7.592 -14.090 1.319 1.00 0.00 C ATOM 681 NZ LYS A 46 8.072 -15.355 1.945 1.00 0.00 N ATOM 0 H LYS A 46 2.030 -10.772 1.699 1.00 0.00 H new ATOM 0 HA LYS A 46 4.703 -10.916 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.673 -13.535 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.591 -13.191 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.853 -13.359 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.070 -12.096 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.661 -13.867 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.697 -15.080 1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.995 -13.995 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.950 -13.232 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.112 -15.355 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.698 -15.427 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.742 -16.167 1.385 1.00 0.00 H new ATOM 695 N THR A 47 3.695 -11.007 -1.701 1.00 0.00 N ATOM 696 CA THR A 47 3.173 -10.374 -2.947 1.00 0.00 C ATOM 697 C THR A 47 1.800 -10.950 -3.321 1.00 0.00 C ATOM 698 O THR A 47 1.490 -12.082 -3.005 1.00 0.00 O ATOM 699 CB THR A 47 4.157 -10.653 -4.091 1.00 0.00 C ATOM 700 OG1 THR A 47 5.295 -9.816 -3.948 1.00 0.00 O ATOM 701 CG2 THR A 47 3.484 -10.383 -5.442 1.00 0.00 C ATOM 0 H THR A 47 4.492 -11.628 -1.838 1.00 0.00 H new ATOM 0 HA THR A 47 3.067 -9.302 -2.779 1.00 0.00 H new ATOM 0 HB THR A 47 4.464 -11.698 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.072 -10.247 -4.360 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.191 -10.584 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.615 -11.032 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.167 -9.341 -5.489 1.00 0.00 H new ATOM 709 N PRO A 48 1.040 -10.149 -4.026 1.00 0.00 N ATOM 710 CA PRO A 48 -0.288 -10.613 -4.485 1.00 0.00 C ATOM 711 C PRO A 48 -0.253 -10.659 -6.025 1.00 0.00 C ATOM 712 O PRO A 48 0.528 -11.394 -6.595 1.00 0.00 O ATOM 713 CB PRO A 48 -1.266 -9.562 -3.952 1.00 0.00 C ATOM 714 CG PRO A 48 -0.444 -8.276 -3.744 1.00 0.00 C ATOM 715 CD PRO A 48 1.029 -8.709 -3.659 1.00 0.00 C ATOM 0 HA PRO A 48 -0.576 -11.605 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.080 -9.394 -4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.718 -9.890 -3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.597 -7.580 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.751 -7.763 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.650 -8.126 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.426 -8.557 -2.655 1.00 0.00 H new ATOM 723 N ASP A 49 -1.044 -9.873 -6.716 1.00 0.00 N ATOM 724 CA ASP A 49 -0.965 -9.901 -8.200 1.00 0.00 C ATOM 725 C ASP A 49 -0.130 -8.707 -8.667 1.00 0.00 C ATOM 726 O ASP A 49 1.017 -8.851 -9.042 1.00 0.00 O ATOM 727 CB ASP A 49 -2.362 -9.819 -8.810 1.00 0.00 C ATOM 728 CG ASP A 49 -2.691 -11.153 -9.483 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.029 -12.129 -9.171 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.594 -11.176 -10.301 1.00 0.00 O ATOM 0 H ASP A 49 -1.727 -9.227 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.503 -10.834 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.098 -9.596 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.408 -9.009 -9.538 1.00 0.00 H new ATOM 735 N VAL A 50 -0.691 -7.530 -8.633 1.00 0.00 N ATOM 736 CA VAL A 50 0.071 -6.322 -9.067 1.00 0.00 C ATOM 737 C VAL A 50 -0.353 -5.127 -8.212 1.00 0.00 C ATOM 738 O VAL A 50 -1.517 -4.936 -7.934 1.00 0.00 O ATOM 739 CB VAL A 50 -0.224 -6.038 -10.543 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.146 -4.593 -10.881 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.608 -6.981 -11.409 1.00 0.00 C ATOM 0 H VAL A 50 -1.646 -7.351 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 50 1.140 -6.494 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.286 -6.192 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.067 -4.399 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.439 -3.913 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.208 -4.435 -10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.403 -6.785 -12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.667 -6.819 -11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.348 -8.014 -11.175 1.00 0.00 H new ATOM 751 N LEU A 51 0.580 -4.325 -7.779 1.00 0.00 N ATOM 752 CA LEU A 51 0.198 -3.158 -6.928 1.00 0.00 C ATOM 753 C LEU A 51 0.213 -1.867 -7.747 1.00 0.00 C ATOM 754 O LEU A 51 1.255 -1.387 -8.136 1.00 0.00 O ATOM 755 CB LEU A 51 1.180 -3.034 -5.768 1.00 0.00 C ATOM 756 CG LEU A 51 0.490 -3.502 -4.491 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.283 -5.015 -4.554 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.362 -3.156 -3.289 1.00 0.00 C ATOM 0 H LEU A 51 1.577 -4.422 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.810 -3.318 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.069 -3.635 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.511 -2.001 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.476 -3.006 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.210 -5.353 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.338 -5.262 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.249 -5.511 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.871 -3.490 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.327 -3.653 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.512 -2.077 -3.247 1.00 0.00 H new ATOM 770 N LEU A 52 -0.934 -1.296 -8.001 1.00 0.00 N ATOM 771 CA LEU A 52 -0.984 -0.031 -8.792 1.00 0.00 C ATOM 772 C LEU A 52 -0.733 1.166 -7.868 1.00 0.00 C ATOM 773 O LEU A 52 -0.865 1.075 -6.665 1.00 0.00 O ATOM 774 CB LEU A 52 -2.364 0.110 -9.441 1.00 0.00 C ATOM 775 CG LEU A 52 -2.227 0.016 -10.961 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.499 -0.592 -11.557 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.014 1.416 -11.542 1.00 0.00 C ATOM 0 H LEU A 52 -1.840 -1.651 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.216 -0.059 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.030 -0.672 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.812 1.065 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.374 -0.616 -11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.398 -0.657 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.653 -1.590 -11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.354 0.038 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.916 1.349 -12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.867 2.047 -11.293 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.107 1.850 -11.122 1.00 0.00 H new ATOM 789 N SER A 53 -0.369 2.291 -8.425 1.00 0.00 N ATOM 790 CA SER A 53 -0.112 3.493 -7.582 1.00 0.00 C ATOM 791 C SER A 53 -0.387 4.758 -8.403 1.00 0.00 C ATOM 792 O SER A 53 -0.003 4.854 -9.553 1.00 0.00 O ATOM 793 CB SER A 53 1.348 3.489 -7.123 1.00 0.00 C ATOM 794 OG SER A 53 1.576 2.358 -6.291 1.00 0.00 O ATOM 0 H SER A 53 -0.239 2.428 -9.427 1.00 0.00 H new ATOM 0 HA SER A 53 -0.767 3.475 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.013 3.460 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.573 4.406 -6.579 1.00 0.00 H new ATOM 0 HG SER A 53 0.742 1.853 -6.189 1.00 0.00 H new ATOM 800 N ASP A 54 -1.052 5.728 -7.830 1.00 0.00 N ATOM 801 CA ASP A 54 -1.345 6.974 -8.599 1.00 0.00 C ATOM 802 C ASP A 54 -0.361 8.078 -8.204 1.00 0.00 C ATOM 803 O ASP A 54 0.711 7.818 -7.696 1.00 0.00 O ATOM 804 CB ASP A 54 -2.774 7.435 -8.305 1.00 0.00 C ATOM 805 CG ASP A 54 -2.868 7.933 -6.862 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.129 8.837 -6.514 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.684 7.402 -6.130 1.00 0.00 O ATOM 0 H ASP A 54 -1.402 5.712 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.240 6.766 -9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.059 8.230 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.472 6.612 -8.462 1.00 0.00 H new ATOM 812 N ILE A 55 -0.719 9.313 -8.438 1.00 0.00 N ATOM 813 CA ILE A 55 0.194 10.435 -8.082 1.00 0.00 C ATOM 814 C ILE A 55 -0.627 11.626 -7.570 1.00 0.00 C ATOM 815 O ILE A 55 -1.465 12.161 -8.268 1.00 0.00 O ATOM 816 CB ILE A 55 1.001 10.844 -9.320 1.00 0.00 C ATOM 817 CG1 ILE A 55 0.143 11.715 -10.241 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.440 9.591 -10.080 1.00 0.00 C ATOM 819 CD1 ILE A 55 0.289 13.181 -9.831 1.00 0.00 C ATOM 0 H ILE A 55 -1.605 9.592 -8.860 1.00 0.00 H new ATOM 0 HA ILE A 55 0.879 10.116 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 55 1.877 11.410 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.453 11.583 -11.278 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.902 11.410 -10.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.014 9.882 -10.960 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.059 8.971 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.560 9.027 -10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.321 13.804 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.042 13.305 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.334 13.480 -9.916 1.00 0.00 H new ATOM 831 N ARG A 56 -0.389 12.043 -6.355 1.00 0.00 N ATOM 832 CA ARG A 56 -1.151 13.199 -5.798 1.00 0.00 C ATOM 833 C ARG A 56 -0.703 13.459 -4.356 1.00 0.00 C ATOM 834 O ARG A 56 0.075 14.354 -4.092 1.00 0.00 O ATOM 835 CB ARG A 56 -2.651 12.889 -5.828 1.00 0.00 C ATOM 836 CG ARG A 56 -3.441 14.135 -5.422 1.00 0.00 C ATOM 837 CD ARG A 56 -4.297 13.824 -4.191 1.00 0.00 C ATOM 838 NE ARG A 56 -5.398 12.895 -4.572 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.570 13.369 -4.896 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.395 13.764 -3.964 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.919 13.446 -6.151 1.00 0.00 N ATOM 0 H ARG A 56 0.300 11.633 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.957 14.086 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.946 12.568 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.876 12.066 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.758 14.956 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.076 14.459 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.682 13.375 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.710 14.745 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.236 11.888 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.123 13.702 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.311 14.134 -4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.276 13.136 -6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.835 13.817 -6.404 1.00 0.00 H new ATOM 855 N MET A 57 -1.180 12.682 -3.420 1.00 0.00 N ATOM 856 CA MET A 57 -0.773 12.888 -2.001 1.00 0.00 C ATOM 857 C MET A 57 -1.044 14.340 -1.597 1.00 0.00 C ATOM 858 O MET A 57 -1.348 15.169 -2.431 1.00 0.00 O ATOM 859 CB MET A 57 0.721 12.585 -1.853 1.00 0.00 C ATOM 860 CG MET A 57 0.973 11.105 -2.141 1.00 0.00 C ATOM 861 SD MET A 57 0.790 10.153 -0.611 1.00 0.00 S ATOM 862 CE MET A 57 -0.566 9.090 -1.162 1.00 0.00 C ATOM 0 H MET A 57 -1.833 11.915 -3.577 1.00 0.00 H new ATOM 0 HA MET A 57 -1.346 12.221 -1.356 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.298 13.203 -2.541 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.055 12.832 -0.845 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.270 10.745 -2.892 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.974 10.968 -2.550 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.856 8.421 -0.352 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.419 9.706 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.241 8.501 -2.020 1.00 0.00 H new ATOM 872 N PRO A 58 -0.921 14.601 -0.321 1.00 0.00 N ATOM 873 CA PRO A 58 -1.165 15.982 0.146 1.00 0.00 C ATOM 874 C PRO A 58 0.103 16.829 -0.017 1.00 0.00 C ATOM 875 O PRO A 58 1.192 16.311 -0.161 1.00 0.00 O ATOM 876 CB PRO A 58 -1.534 15.830 1.622 1.00 0.00 C ATOM 877 CG PRO A 58 -0.945 14.483 2.078 1.00 0.00 C ATOM 878 CD PRO A 58 -0.702 13.656 0.804 1.00 0.00 C ATOM 0 HA PRO A 58 -1.949 16.485 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.127 16.652 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.616 15.847 1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.015 14.633 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.631 13.967 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.309 13.249 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.387 12.810 0.747 1.00 0.00 H new ATOM 886 N GLY A 59 -0.033 18.128 -0.003 1.00 0.00 N ATOM 887 CA GLY A 59 1.159 19.008 -0.163 1.00 0.00 C ATOM 888 C GLY A 59 2.320 18.463 0.670 1.00 0.00 C ATOM 889 O GLY A 59 2.377 18.650 1.869 1.00 0.00 O ATOM 0 H GLY A 59 -0.920 18.618 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.446 19.060 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.918 20.023 0.152 1.00 0.00 H new ATOM 893 N MET A 60 3.248 17.791 0.044 1.00 0.00 N ATOM 894 CA MET A 60 4.404 17.237 0.805 1.00 0.00 C ATOM 895 C MET A 60 5.380 16.567 -0.165 1.00 0.00 C ATOM 896 O MET A 60 6.581 16.689 -0.033 1.00 0.00 O ATOM 897 CB MET A 60 3.902 16.205 1.817 1.00 0.00 C ATOM 898 CG MET A 60 4.114 16.737 3.236 1.00 0.00 C ATOM 899 SD MET A 60 3.999 15.371 4.417 1.00 0.00 S ATOM 900 CE MET A 60 5.627 15.586 5.177 1.00 0.00 C ATOM 0 H MET A 60 3.256 17.602 -0.958 1.00 0.00 H new ATOM 0 HA MET A 60 4.912 18.045 1.332 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.845 15.999 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.435 15.263 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.089 17.218 3.314 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.366 17.495 3.467 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.770 14.832 5.951 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.401 15.477 4.417 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.693 16.579 5.622 1.00 0.00 H new ATOM 910 N ASP A 61 4.874 15.860 -1.138 1.00 0.00 N ATOM 911 CA ASP A 61 5.774 15.183 -2.114 1.00 0.00 C ATOM 912 C ASP A 61 4.975 14.798 -3.361 1.00 0.00 C ATOM 913 O ASP A 61 5.049 15.450 -4.385 1.00 0.00 O ATOM 914 CB ASP A 61 6.359 13.920 -1.476 1.00 0.00 C ATOM 915 CG ASP A 61 7.852 14.123 -1.213 1.00 0.00 C ATOM 916 OD1 ASP A 61 8.219 15.210 -0.799 1.00 0.00 O ATOM 917 OD2 ASP A 61 8.604 13.187 -1.429 1.00 0.00 O ATOM 0 H ASP A 61 3.876 15.722 -1.299 1.00 0.00 H new ATOM 0 HA ASP A 61 6.582 15.859 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.842 13.699 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.208 13.064 -2.134 1.00 0.00 H new ATOM 922 N GLY A 62 4.213 13.743 -3.283 1.00 0.00 N ATOM 923 CA GLY A 62 3.408 13.311 -4.460 1.00 0.00 C ATOM 924 C GLY A 62 3.173 11.805 -4.386 1.00 0.00 C ATOM 925 O GLY A 62 2.075 11.325 -4.591 1.00 0.00 O ATOM 0 H GLY A 62 4.113 13.159 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.455 13.839 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.928 13.564 -5.384 1.00 0.00 H new ATOM 929 N LEU A 63 4.196 11.054 -4.092 1.00 0.00 N ATOM 930 CA LEU A 63 4.034 9.578 -3.997 1.00 0.00 C ATOM 931 C LEU A 63 5.111 9.010 -3.073 1.00 0.00 C ATOM 932 O LEU A 63 4.844 8.676 -1.936 1.00 0.00 O ATOM 933 CB LEU A 63 4.153 8.958 -5.396 1.00 0.00 C ATOM 934 CG LEU A 63 3.152 7.807 -5.545 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.554 6.653 -4.626 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.749 8.291 -5.171 1.00 0.00 C ATOM 0 H LEU A 63 5.139 11.399 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 63 3.052 9.339 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.964 9.716 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.167 8.592 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 63 3.153 7.464 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.840 5.836 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.550 6.303 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.558 6.996 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.040 7.470 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.748 8.639 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.459 9.109 -5.830 1.00 0.00 H new ATOM 948 N ALA A 64 6.323 8.901 -3.547 1.00 0.00 N ATOM 949 CA ALA A 64 7.414 8.354 -2.689 1.00 0.00 C ATOM 950 C ALA A 64 6.883 7.163 -1.890 1.00 0.00 C ATOM 951 O ALA A 64 7.124 7.044 -0.706 1.00 0.00 O ATOM 952 CB ALA A 64 7.896 9.440 -1.723 1.00 0.00 C ATOM 0 H ALA A 64 6.605 9.167 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 64 8.244 8.031 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.693 9.041 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.272 10.291 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.066 9.762 -1.094 1.00 0.00 H new ATOM 958 N LEU A 65 6.149 6.289 -2.523 1.00 0.00 N ATOM 959 CA LEU A 65 5.595 5.118 -1.787 1.00 0.00 C ATOM 960 C LEU A 65 5.878 3.825 -2.554 1.00 0.00 C ATOM 961 O LEU A 65 5.936 2.759 -1.976 1.00 0.00 O ATOM 962 CB LEU A 65 4.086 5.288 -1.622 1.00 0.00 C ATOM 963 CG LEU A 65 3.808 6.293 -0.504 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.531 7.070 -0.824 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.634 5.549 0.821 1.00 0.00 C ATOM 0 H LEU A 65 5.910 6.335 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 65 6.071 5.061 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.644 5.635 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.624 4.329 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 65 4.645 6.986 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.332 7.787 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.655 7.601 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.694 6.377 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.436 6.266 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.797 4.855 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.545 4.995 1.050 1.00 0.00 H new ATOM 977 N LEU A 66 6.057 3.894 -3.845 1.00 0.00 N ATOM 978 CA LEU A 66 6.338 2.643 -4.599 1.00 0.00 C ATOM 979 C LEU A 66 7.700 2.102 -4.162 1.00 0.00 C ATOM 980 O LEU A 66 8.069 0.987 -4.477 1.00 0.00 O ATOM 981 CB LEU A 66 6.337 2.914 -6.108 1.00 0.00 C ATOM 982 CG LEU A 66 5.763 1.696 -6.848 1.00 0.00 C ATOM 983 CD1 LEU A 66 4.239 1.812 -6.935 1.00 0.00 C ATOM 984 CD2 LEU A 66 6.342 1.632 -8.264 1.00 0.00 C ATOM 0 H LEU A 66 6.022 4.748 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 66 5.562 1.908 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.742 3.800 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.351 3.117 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 66 6.030 0.792 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.838 0.946 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.819 1.853 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.974 2.720 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.933 0.767 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.079 2.540 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.427 1.543 -8.210 1.00 0.00 H new ATOM 996 N LYS A 67 8.446 2.878 -3.419 1.00 0.00 N ATOM 997 CA LYS A 67 9.770 2.398 -2.942 1.00 0.00 C ATOM 998 C LYS A 67 9.537 1.336 -1.867 1.00 0.00 C ATOM 999 O LYS A 67 10.011 0.216 -1.970 1.00 0.00 O ATOM 1000 CB LYS A 67 10.563 3.569 -2.359 1.00 0.00 C ATOM 1001 CG LYS A 67 10.406 4.790 -3.264 1.00 0.00 C ATOM 1002 CD LYS A 67 11.417 5.862 -2.855 1.00 0.00 C ATOM 1003 CE LYS A 67 10.940 6.556 -1.578 1.00 0.00 C ATOM 1004 NZ LYS A 67 12.116 7.088 -0.834 1.00 0.00 N ATOM 0 H LYS A 67 8.193 3.821 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 67 10.338 1.972 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.207 3.799 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.616 3.301 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.562 4.507 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.392 5.184 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.395 5.410 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.533 6.592 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.256 7.367 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.388 5.853 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.793 7.560 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.753 6.304 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.624 7.771 -1.431 1.00 0.00 H new ATOM 1018 N GLN A 68 8.791 1.664 -0.840 1.00 0.00 N ATOM 1019 CA GLN A 68 8.519 0.653 0.215 1.00 0.00 C ATOM 1020 C GLN A 68 7.653 -0.452 -0.394 1.00 0.00 C ATOM 1021 O GLN A 68 7.981 -1.619 -0.314 1.00 0.00 O ATOM 1022 CB GLN A 68 7.818 1.298 1.424 1.00 0.00 C ATOM 1023 CG GLN A 68 6.640 2.179 0.983 1.00 0.00 C ATOM 1024 CD GLN A 68 6.719 3.527 1.705 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.746 3.983 2.273 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.844 4.188 1.709 1.00 0.00 N ATOM 0 H GLN A 68 8.365 2.579 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 68 9.457 0.231 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.460 0.519 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.534 1.899 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.667 2.329 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.696 1.685 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.661 3.807 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.906 5.086 2.188 1.00 0.00 H new ATOM 1035 N ILE A 69 6.540 -0.098 -0.990 1.00 0.00 N ATOM 1036 CA ILE A 69 5.638 -1.122 -1.602 1.00 0.00 C ATOM 1037 C ILE A 69 6.448 -2.177 -2.382 1.00 0.00 C ATOM 1038 O ILE A 69 5.938 -3.209 -2.746 1.00 0.00 O ATOM 1039 CB ILE A 69 4.679 -0.389 -2.551 1.00 0.00 C ATOM 1040 CG1 ILE A 69 3.339 -1.119 -2.595 1.00 0.00 C ATOM 1041 CG2 ILE A 69 5.260 -0.320 -3.968 1.00 0.00 C ATOM 1042 CD1 ILE A 69 2.207 -0.092 -2.543 1.00 0.00 C ATOM 0 H ILE A 69 6.216 0.865 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 69 5.087 -1.645 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 69 4.539 0.625 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.265 -1.714 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.259 -1.809 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.563 0.204 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.209 0.215 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.422 -1.330 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.247 -0.607 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.280 0.484 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.286 0.580 -3.397 1.00 0.00 H new ATOM 1054 N LYS A 70 7.695 -1.920 -2.672 1.00 0.00 N ATOM 1055 CA LYS A 70 8.500 -2.920 -3.417 1.00 0.00 C ATOM 1056 C LYS A 70 9.384 -3.661 -2.410 1.00 0.00 C ATOM 1057 O LYS A 70 9.144 -4.805 -2.081 1.00 0.00 O ATOM 1058 CB LYS A 70 9.378 -2.206 -4.446 1.00 0.00 C ATOM 1059 CG LYS A 70 10.331 -3.213 -5.091 1.00 0.00 C ATOM 1060 CD LYS A 70 9.521 -4.289 -5.816 1.00 0.00 C ATOM 1061 CE LYS A 70 10.435 -5.063 -6.768 1.00 0.00 C ATOM 1062 NZ LYS A 70 11.784 -5.214 -6.153 1.00 0.00 N ATOM 0 H LYS A 70 8.187 -1.062 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 70 7.849 -3.622 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.755 -1.739 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.945 -1.409 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.992 -2.706 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.964 -3.670 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.072 -4.970 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.704 -3.830 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.009 -6.044 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.515 -4.537 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.302 -5.977 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.311 -4.323 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.682 -5.448 -5.145 1.00 0.00 H new ATOM 1076 N GLN A 71 10.411 -3.010 -1.933 1.00 0.00 N ATOM 1077 CA GLN A 71 11.341 -3.653 -0.955 1.00 0.00 C ATOM 1078 C GLN A 71 10.579 -4.564 0.021 1.00 0.00 C ATOM 1079 O GLN A 71 10.853 -5.743 0.135 1.00 0.00 O ATOM 1080 CB GLN A 71 12.036 -2.553 -0.146 1.00 0.00 C ATOM 1081 CG GLN A 71 13.270 -2.057 -0.903 1.00 0.00 C ATOM 1082 CD GLN A 71 14.282 -3.197 -1.036 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.219 -4.169 -0.310 1.00 0.00 O ATOM 1084 NE2 GLN A 71 15.219 -3.116 -1.940 1.00 0.00 N ATOM 0 H GLN A 71 10.649 -2.050 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 71 12.062 -4.256 -1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.347 -1.726 0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.327 -2.936 0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.983 -1.695 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.720 -1.217 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.271 -2.299 -2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.900 -3.869 -2.038 1.00 0.00 H new ATOM 1093 N ARG A 72 9.650 -4.005 0.751 1.00 0.00 N ATOM 1094 CA ARG A 72 8.878 -4.790 1.763 1.00 0.00 C ATOM 1095 C ARG A 72 8.615 -6.230 1.287 1.00 0.00 C ATOM 1096 O ARG A 72 8.814 -7.175 2.026 1.00 0.00 O ATOM 1097 CB ARG A 72 7.559 -4.043 2.070 1.00 0.00 C ATOM 1098 CG ARG A 72 6.390 -4.575 1.236 1.00 0.00 C ATOM 1099 CD ARG A 72 6.412 -3.895 -0.125 1.00 0.00 C ATOM 1100 NE ARG A 72 5.649 -4.708 -1.101 1.00 0.00 N ATOM 1101 CZ ARG A 72 4.364 -4.541 -1.235 1.00 0.00 C ATOM 1102 NH1 ARG A 72 3.660 -4.070 -0.247 1.00 0.00 N ATOM 1103 NH2 ARG A 72 3.786 -4.848 -2.361 1.00 0.00 N ATOM 0 H ARG A 72 9.388 -3.021 0.688 1.00 0.00 H new ATOM 0 HA ARG A 72 9.467 -4.874 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.324 -4.144 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.691 -2.979 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.470 -5.656 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.445 -4.378 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.979 -2.897 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.440 -3.772 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 72 6.132 -5.402 -1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.114 -3.831 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.654 -3.940 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.339 -5.218 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.780 -4.719 -2.470 1.00 0.00 H new ATOM 1117 N HIS A 73 8.151 -6.414 0.080 1.00 0.00 N ATOM 1118 CA HIS A 73 7.861 -7.800 -0.401 1.00 0.00 C ATOM 1119 C HIS A 73 8.925 -8.217 -1.434 1.00 0.00 C ATOM 1120 O HIS A 73 9.387 -7.394 -2.199 1.00 0.00 O ATOM 1121 CB HIS A 73 6.440 -7.819 -0.992 1.00 0.00 C ATOM 1122 CG HIS A 73 5.456 -7.668 0.143 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.719 -8.179 1.404 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.216 -7.070 0.237 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.672 -7.884 2.191 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.729 -7.210 1.532 1.00 0.00 N ATOM 0 H HIS A 73 7.960 -5.671 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 73 7.904 -8.519 0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.317 -7.010 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.263 -8.752 -1.527 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.557 -8.688 1.684 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.703 -6.570 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.602 -8.160 3.233 1.00 0.00 H new ATOM 1134 N PRO A 74 9.312 -9.481 -1.379 1.00 0.00 N ATOM 1135 CA PRO A 74 10.377 -9.982 -2.292 1.00 0.00 C ATOM 1136 C PRO A 74 10.466 -9.181 -3.596 1.00 0.00 C ATOM 1137 O PRO A 74 11.347 -8.360 -3.759 1.00 0.00 O ATOM 1138 CB PRO A 74 10.014 -11.445 -2.559 1.00 0.00 C ATOM 1139 CG PRO A 74 8.516 -11.578 -2.261 1.00 0.00 C ATOM 1140 CD PRO A 74 8.159 -10.421 -1.317 1.00 0.00 C ATOM 0 HA PRO A 74 11.362 -9.875 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.231 -11.717 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.597 -12.112 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.931 -11.525 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.296 -12.540 -1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.237 -9.931 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.000 -10.780 -0.300 1.00 0.00 H new ATOM 1148 N MET A 75 9.590 -9.406 -4.537 1.00 0.00 N ATOM 1149 CA MET A 75 9.692 -8.638 -5.808 1.00 0.00 C ATOM 1150 C MET A 75 8.518 -8.967 -6.729 1.00 0.00 C ATOM 1151 O MET A 75 8.506 -9.978 -7.402 1.00 0.00 O ATOM 1152 CB MET A 75 10.999 -9.006 -6.512 1.00 0.00 C ATOM 1153 CG MET A 75 11.018 -10.510 -6.797 1.00 0.00 C ATOM 1154 SD MET A 75 12.705 -11.141 -6.617 1.00 0.00 S ATOM 1155 CE MET A 75 12.285 -12.699 -5.798 1.00 0.00 C ATOM 0 H MET A 75 8.822 -10.075 -4.483 1.00 0.00 H new ATOM 0 HA MET A 75 9.673 -7.573 -5.579 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.093 -8.447 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.850 -8.732 -5.889 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.350 -11.029 -6.110 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.652 -10.704 -7.805 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.112 -13.401 -5.906 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.101 -12.516 -4.739 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.389 -13.120 -6.254 1.00 0.00 H new ATOM 1165 N LEU A 76 7.538 -8.110 -6.774 1.00 0.00 N ATOM 1166 CA LEU A 76 6.370 -8.355 -7.662 1.00 0.00 C ATOM 1167 C LEU A 76 6.213 -7.164 -8.614 1.00 0.00 C ATOM 1168 O LEU A 76 6.846 -6.142 -8.436 1.00 0.00 O ATOM 1169 CB LEU A 76 5.115 -8.539 -6.802 1.00 0.00 C ATOM 1170 CG LEU A 76 4.587 -7.184 -6.327 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.189 -6.946 -6.904 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.507 -7.190 -4.802 1.00 0.00 C ATOM 0 H LEU A 76 7.496 -7.247 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 76 6.520 -9.259 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.346 -9.054 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.345 -9.168 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 76 5.256 -6.392 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.815 -5.980 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.239 -6.953 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.517 -7.735 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.132 -6.228 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.833 -7.982 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.499 -7.364 -4.386 1.00 0.00 H new ATOM 1184 N PRO A 77 5.386 -7.339 -9.608 1.00 0.00 N ATOM 1185 CA PRO A 77 5.196 -6.239 -10.582 1.00 0.00 C ATOM 1186 C PRO A 77 4.411 -5.069 -9.969 1.00 0.00 C ATOM 1187 O PRO A 77 3.429 -5.248 -9.265 1.00 0.00 O ATOM 1188 CB PRO A 77 4.427 -6.884 -11.738 1.00 0.00 C ATOM 1189 CG PRO A 77 3.735 -8.130 -11.159 1.00 0.00 C ATOM 1190 CD PRO A 77 4.491 -8.492 -9.873 1.00 0.00 C ATOM 0 HA PRO A 77 6.144 -5.808 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.695 -6.191 -12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.102 -7.157 -12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.685 -7.927 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.763 -8.955 -11.871 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.802 -8.654 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.061 -9.412 -9.998 1.00 0.00 H new ATOM 1198 N VAL A 78 4.843 -3.861 -10.239 1.00 0.00 N ATOM 1199 CA VAL A 78 4.140 -2.669 -9.689 1.00 0.00 C ATOM 1200 C VAL A 78 3.780 -1.713 -10.833 1.00 0.00 C ATOM 1201 O VAL A 78 4.396 -1.723 -11.881 1.00 0.00 O ATOM 1202 CB VAL A 78 5.047 -1.943 -8.688 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.667 -2.352 -7.263 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.515 -2.304 -8.945 1.00 0.00 C ATOM 0 H VAL A 78 5.656 -3.653 -10.819 1.00 0.00 H new ATOM 0 HA VAL A 78 3.231 -2.994 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 78 4.917 -0.868 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.312 -1.836 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.628 -2.083 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.790 -3.429 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.149 -1.782 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.650 -3.380 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.791 -2.007 -9.957 1.00 0.00 H new ATOM 1214 N ILE A 79 2.787 -0.888 -10.639 1.00 0.00 N ATOM 1215 CA ILE A 79 2.380 0.068 -11.711 1.00 0.00 C ATOM 1216 C ILE A 79 2.249 1.470 -11.116 1.00 0.00 C ATOM 1217 O ILE A 79 1.874 1.639 -9.972 1.00 0.00 O ATOM 1218 CB ILE A 79 1.026 -0.341 -12.310 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.578 -1.697 -11.739 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.156 -0.434 -13.835 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -0.490 -2.319 -12.645 1.00 0.00 C ATOM 0 H ILE A 79 2.238 -0.834 -9.781 1.00 0.00 H new ATOM 0 HA ILE A 79 3.138 0.057 -12.494 1.00 0.00 H new ATOM 0 HB ILE A 79 0.278 0.408 -12.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.434 -2.367 -11.658 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.181 -1.564 -10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.197 -0.724 -14.265 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.454 0.535 -14.235 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.909 -1.179 -14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.802 -3.279 -12.234 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.351 -1.653 -12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.078 -2.469 -13.643 1.00 0.00 H new ATOM 1233 N ILE A 80 2.544 2.479 -11.886 1.00 0.00 N ATOM 1234 CA ILE A 80 2.427 3.870 -11.368 1.00 0.00 C ATOM 1235 C ILE A 80 2.183 4.824 -12.537 1.00 0.00 C ATOM 1236 O ILE A 80 2.936 4.857 -13.491 1.00 0.00 O ATOM 1237 CB ILE A 80 3.719 4.263 -10.649 1.00 0.00 C ATOM 1238 CG1 ILE A 80 3.601 5.704 -10.146 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.897 4.157 -11.618 1.00 0.00 C ATOM 1240 CD1 ILE A 80 3.619 5.711 -8.616 1.00 0.00 C ATOM 0 H ILE A 80 2.861 2.401 -12.852 1.00 0.00 H new ATOM 0 HA ILE A 80 1.594 3.928 -10.667 1.00 0.00 H new ATOM 0 HB ILE A 80 3.884 3.593 -9.805 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.424 6.305 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.678 6.154 -10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.817 4.437 -11.105 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.981 3.132 -11.978 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.735 4.826 -12.463 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.535 6.736 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.781 5.124 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.554 5.277 -8.261 1.00 0.00 H new ATOM 1252 N MET A 81 1.136 5.600 -12.474 1.00 0.00 N ATOM 1253 CA MET A 81 0.850 6.549 -13.585 1.00 0.00 C ATOM 1254 C MET A 81 1.949 7.614 -13.634 1.00 0.00 C ATOM 1255 O MET A 81 2.233 8.270 -12.652 1.00 0.00 O ATOM 1256 CB MET A 81 -0.507 7.218 -13.352 1.00 0.00 C ATOM 1257 CG MET A 81 -1.503 6.191 -12.808 1.00 0.00 C ATOM 1258 SD MET A 81 -3.165 6.592 -13.405 1.00 0.00 S ATOM 1259 CE MET A 81 -4.090 5.917 -12.002 1.00 0.00 C ATOM 0 H MET A 81 0.468 5.618 -11.703 1.00 0.00 H new ATOM 0 HA MET A 81 0.824 6.008 -14.531 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.400 8.043 -12.648 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.879 7.641 -14.285 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.221 5.188 -13.130 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.486 6.193 -11.718 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.158 6.061 -12.167 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.879 4.852 -11.905 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.791 6.431 -11.088 1.00 0.00 H new ATOM 1269 N THR A 82 2.573 7.788 -14.769 1.00 0.00 N ATOM 1270 CA THR A 82 3.656 8.806 -14.880 1.00 0.00 C ATOM 1271 C THR A 82 3.048 10.167 -15.226 1.00 0.00 C ATOM 1272 O THR A 82 2.941 10.534 -16.379 1.00 0.00 O ATOM 1273 CB THR A 82 4.632 8.392 -15.985 1.00 0.00 C ATOM 1274 OG1 THR A 82 4.005 8.551 -17.250 1.00 0.00 O ATOM 1275 CG2 THR A 82 5.036 6.929 -15.792 1.00 0.00 C ATOM 0 H THR A 82 2.378 7.268 -15.625 1.00 0.00 H new ATOM 0 HA THR A 82 4.185 8.876 -13.930 1.00 0.00 H new ATOM 0 HB THR A 82 5.522 9.019 -15.938 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.807 9.499 -17.400 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.731 6.636 -16.579 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.517 6.809 -14.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.149 6.297 -15.838 1.00 0.00 H new ATOM 1283 N ALA A 83 2.651 10.920 -14.236 1.00 0.00 N ATOM 1284 CA ALA A 83 2.052 12.258 -14.509 1.00 0.00 C ATOM 1285 C ALA A 83 3.022 13.351 -14.059 1.00 0.00 C ATOM 1286 O ALA A 83 2.932 14.488 -14.477 1.00 0.00 O ATOM 1287 CB ALA A 83 0.739 12.393 -13.737 1.00 0.00 C ATOM 0 H ALA A 83 2.716 10.667 -13.250 1.00 0.00 H new ATOM 0 HA ALA A 83 1.859 12.360 -15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.299 13.371 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.048 11.613 -14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.933 12.292 -12.669 1.00 0.00 H new ATOM 1293 N HIS A 84 3.953 13.013 -13.209 1.00 0.00 N ATOM 1294 CA HIS A 84 4.933 14.029 -12.730 1.00 0.00 C ATOM 1295 C HIS A 84 5.767 13.431 -11.595 1.00 0.00 C ATOM 1296 O HIS A 84 6.961 13.246 -11.723 1.00 0.00 O ATOM 1297 CB HIS A 84 4.188 15.266 -12.221 1.00 0.00 C ATOM 1298 CG HIS A 84 4.756 16.494 -12.878 1.00 0.00 C ATOM 1299 ND1 HIS A 84 5.961 17.055 -12.485 1.00 0.00 N ATOM 1300 CD2 HIS A 84 4.299 17.276 -13.910 1.00 0.00 C ATOM 1301 CE1 HIS A 84 6.186 18.125 -13.269 1.00 0.00 C ATOM 1302 NE2 HIS A 84 5.204 18.305 -14.155 1.00 0.00 N ATOM 0 H HIS A 84 4.077 12.076 -12.825 1.00 0.00 H new ATOM 0 HA HIS A 84 5.587 14.318 -13.552 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.124 15.180 -12.442 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.283 15.342 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.377 17.117 -14.450 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.055 18.761 -13.191 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.132 19.039 -14.860 1.00 0.00 H new ATOM 1310 N SER A 85 5.150 13.123 -10.488 1.00 0.00 N ATOM 1311 CA SER A 85 5.913 12.536 -9.352 1.00 0.00 C ATOM 1312 C SER A 85 6.174 11.053 -9.631 1.00 0.00 C ATOM 1313 O SER A 85 5.904 10.562 -10.708 1.00 0.00 O ATOM 1314 CB SER A 85 5.105 12.678 -8.063 1.00 0.00 C ATOM 1315 OG SER A 85 5.331 13.969 -7.509 1.00 0.00 O ATOM 0 H SER A 85 4.152 13.252 -10.321 1.00 0.00 H new ATOM 0 HA SER A 85 6.862 13.060 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.044 12.538 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.397 11.907 -7.350 1.00 0.00 H new ATOM 0 HG SER A 85 5.715 13.877 -6.612 1.00 0.00 H new ATOM 1321 N ASP A 86 6.698 10.343 -8.664 1.00 0.00 N ATOM 1322 CA ASP A 86 6.987 8.889 -8.851 1.00 0.00 C ATOM 1323 C ASP A 86 8.351 8.720 -9.540 1.00 0.00 C ATOM 1324 O ASP A 86 9.145 7.885 -9.155 1.00 0.00 O ATOM 1325 CB ASP A 86 5.853 8.231 -9.674 1.00 0.00 C ATOM 1326 CG ASP A 86 6.329 7.854 -11.084 1.00 0.00 C ATOM 1327 OD1 ASP A 86 6.904 6.787 -11.227 1.00 0.00 O ATOM 1328 OD2 ASP A 86 6.107 8.636 -11.994 1.00 0.00 O ATOM 0 H ASP A 86 6.940 10.712 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 86 7.031 8.392 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.498 7.339 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.008 8.916 -9.745 1.00 0.00 H new ATOM 1333 N LEU A 87 8.610 9.500 -10.561 1.00 0.00 N ATOM 1334 CA LEU A 87 9.906 9.402 -11.301 1.00 0.00 C ATOM 1335 C LEU A 87 11.045 9.038 -10.342 1.00 0.00 C ATOM 1336 O LEU A 87 11.993 8.378 -10.715 1.00 0.00 O ATOM 1337 CB LEU A 87 10.210 10.758 -11.942 1.00 0.00 C ATOM 1338 CG LEU A 87 10.001 10.670 -13.454 1.00 0.00 C ATOM 1339 CD1 LEU A 87 11.024 9.707 -14.056 1.00 0.00 C ATOM 1340 CD2 LEU A 87 8.588 10.159 -13.742 1.00 0.00 C ATOM 0 H LEU A 87 7.970 10.210 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 87 9.824 8.627 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.561 11.525 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.236 11.053 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 87 10.129 11.658 -13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.875 9.645 -15.134 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.031 10.070 -13.850 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.897 8.719 -13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.437 10.095 -14.820 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.461 9.171 -13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.858 10.846 -13.313 1.00 0.00 H new ATOM 1352 N ASP A 88 10.962 9.471 -9.116 1.00 0.00 N ATOM 1353 CA ASP A 88 12.043 9.157 -8.138 1.00 0.00 C ATOM 1354 C ASP A 88 12.009 7.666 -7.783 1.00 0.00 C ATOM 1355 O ASP A 88 12.898 6.915 -8.137 1.00 0.00 O ATOM 1356 CB ASP A 88 11.834 9.991 -6.873 1.00 0.00 C ATOM 1357 CG ASP A 88 12.741 9.469 -5.758 1.00 0.00 C ATOM 1358 OD1 ASP A 88 13.660 8.728 -6.068 1.00 0.00 O ATOM 1359 OD2 ASP A 88 12.501 9.816 -4.614 1.00 0.00 O ATOM 0 H ASP A 88 10.192 10.029 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 88 13.011 9.394 -8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.056 11.039 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.791 9.941 -6.560 1.00 0.00 H new ATOM 1364 N ALA A 89 10.994 7.233 -7.083 1.00 0.00 N ATOM 1365 CA ALA A 89 10.904 5.792 -6.700 1.00 0.00 C ATOM 1366 C ALA A 89 11.319 4.910 -7.885 1.00 0.00 C ATOM 1367 O ALA A 89 11.779 3.799 -7.712 1.00 0.00 O ATOM 1368 CB ALA A 89 9.462 5.463 -6.304 1.00 0.00 C ATOM 0 H ALA A 89 10.222 7.815 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 89 11.571 5.601 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.392 4.412 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.166 6.084 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.800 5.658 -7.147 1.00 0.00 H new ATOM 1374 N ALA A 90 11.154 5.394 -9.087 1.00 0.00 N ATOM 1375 CA ALA A 90 11.531 4.583 -10.281 1.00 0.00 C ATOM 1376 C ALA A 90 13.036 4.708 -10.549 1.00 0.00 C ATOM 1377 O ALA A 90 13.794 3.790 -10.312 1.00 0.00 O ATOM 1378 CB ALA A 90 10.758 5.093 -11.499 1.00 0.00 C ATOM 0 H ALA A 90 10.774 6.318 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 90 11.287 3.537 -10.095 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.029 4.504 -12.375 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.688 4.999 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.006 6.140 -11.675 1.00 0.00 H new ATOM 1384 N VAL A 91 13.455 5.833 -11.072 1.00 0.00 N ATOM 1385 CA VAL A 91 14.900 6.046 -11.395 1.00 0.00 C ATOM 1386 C VAL A 91 15.804 5.338 -10.380 1.00 0.00 C ATOM 1387 O VAL A 91 16.898 4.920 -10.702 1.00 0.00 O ATOM 1388 CB VAL A 91 15.197 7.545 -11.372 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.682 7.778 -11.665 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.351 8.245 -12.437 1.00 0.00 C ATOM 0 H VAL A 91 12.849 6.624 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 91 15.101 5.630 -12.382 1.00 0.00 H new ATOM 0 HB VAL A 91 14.955 7.949 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.893 8.847 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.285 7.277 -10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.926 7.375 -12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.561 9.315 -12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.595 7.840 -13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.294 8.080 -12.229 1.00 0.00 H new ATOM 1400 N SER A 92 15.367 5.204 -9.158 1.00 0.00 N ATOM 1401 CA SER A 92 16.218 4.525 -8.137 1.00 0.00 C ATOM 1402 C SER A 92 15.786 3.065 -7.994 1.00 0.00 C ATOM 1403 O SER A 92 15.263 2.469 -8.914 1.00 0.00 O ATOM 1404 CB SER A 92 16.065 5.234 -6.790 1.00 0.00 C ATOM 1405 OG SER A 92 16.065 6.640 -6.997 1.00 0.00 O ATOM 0 H SER A 92 14.462 5.533 -8.822 1.00 0.00 H new ATOM 0 HA SER A 92 17.260 4.565 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.138 4.926 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.880 4.953 -6.123 1.00 0.00 H new ATOM 0 HG SER A 92 15.234 7.022 -6.646 1.00 0.00 H new ATOM 1411 N ALA A 93 16.010 2.479 -6.848 1.00 0.00 N ATOM 1412 CA ALA A 93 15.620 1.054 -6.651 1.00 0.00 C ATOM 1413 C ALA A 93 16.206 0.215 -7.786 1.00 0.00 C ATOM 1414 O ALA A 93 15.496 -0.272 -8.643 1.00 0.00 O ATOM 1415 CB ALA A 93 14.095 0.933 -6.661 1.00 0.00 C ATOM 0 H ALA A 93 16.446 2.926 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 93 16.002 0.698 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.812 -0.110 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 93 13.677 1.537 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.708 1.285 -7.617 1.00 0.00 H new ATOM 1421 N TYR A 94 17.501 0.049 -7.803 1.00 0.00 N ATOM 1422 CA TYR A 94 18.132 -0.750 -8.889 1.00 0.00 C ATOM 1423 C TYR A 94 17.980 0.002 -10.214 1.00 0.00 C ATOM 1424 O TYR A 94 18.245 -0.526 -11.275 1.00 0.00 O ATOM 1425 CB TYR A 94 17.440 -2.112 -8.991 1.00 0.00 C ATOM 1426 CG TYR A 94 18.464 -3.180 -9.292 1.00 0.00 C ATOM 1427 CD1 TYR A 94 18.860 -3.418 -10.614 1.00 0.00 C ATOM 1428 CD2 TYR A 94 19.017 -3.933 -8.250 1.00 0.00 C ATOM 1429 CE1 TYR A 94 19.808 -4.410 -10.892 1.00 0.00 C ATOM 1430 CE2 TYR A 94 19.966 -4.924 -8.528 1.00 0.00 C ATOM 1431 CZ TYR A 94 20.362 -5.163 -9.848 1.00 0.00 C ATOM 1432 OH TYR A 94 21.297 -6.140 -10.123 1.00 0.00 O ATOM 0 H TYR A 94 18.147 0.432 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 94 19.189 -0.900 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.925 -2.340 -8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.683 -2.089 -9.775 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.434 -2.837 -11.419 1.00 0.00 H new ATOM 0 HD2 TYR A 94 18.711 -3.749 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.113 -4.595 -11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.392 -5.504 -7.723 1.00 0.00 H new ATOM 0 HH TYR A 94 21.580 -6.567 -9.287 1.00 0.00 H new ATOM 1442 N GLN A 95 17.552 1.236 -10.157 1.00 0.00 N ATOM 1443 CA GLN A 95 17.377 2.025 -11.407 1.00 0.00 C ATOM 1444 C GLN A 95 16.677 1.162 -12.456 1.00 0.00 C ATOM 1445 O GLN A 95 17.304 0.580 -13.320 1.00 0.00 O ATOM 1446 CB GLN A 95 18.746 2.465 -11.928 1.00 0.00 C ATOM 1447 CG GLN A 95 18.572 3.628 -12.906 1.00 0.00 C ATOM 1448 CD GLN A 95 18.544 3.094 -14.339 1.00 0.00 C ATOM 1449 OE1 GLN A 95 19.366 2.281 -14.713 1.00 0.00 O ATOM 1450 NE2 GLN A 95 17.626 3.520 -15.165 1.00 0.00 N ATOM 0 H GLN A 95 17.316 1.730 -9.296 1.00 0.00 H new ATOM 0 HA GLN A 95 16.771 2.907 -11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 95 19.383 2.768 -11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 95 19.243 1.631 -12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.648 4.164 -12.689 1.00 0.00 H new ATOM 0 HG3 GLN A 95 19.389 4.340 -12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.935 4.202 -14.852 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.600 3.170 -16.123 1.00 0.00 H new ATOM 1459 N GLN A 96 15.377 1.076 -12.382 1.00 0.00 N ATOM 1460 CA GLN A 96 14.619 0.252 -13.364 1.00 0.00 C ATOM 1461 C GLN A 96 13.214 -0.008 -12.815 1.00 0.00 C ATOM 1462 O GLN A 96 12.277 -0.229 -13.556 1.00 0.00 O ATOM 1463 CB GLN A 96 15.337 -1.081 -13.581 1.00 0.00 C ATOM 1464 CG GLN A 96 15.821 -1.169 -15.029 1.00 0.00 C ATOM 1465 CD GLN A 96 16.296 -2.593 -15.321 1.00 0.00 C ATOM 1466 OE1 GLN A 96 16.816 -3.264 -14.451 1.00 0.00 O ATOM 1467 NE2 GLN A 96 16.136 -3.087 -16.518 1.00 0.00 N ATOM 0 H GLN A 96 14.805 1.544 -11.679 1.00 0.00 H new ATOM 0 HA GLN A 96 14.553 0.781 -14.315 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.182 -1.167 -12.898 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.664 -1.909 -13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.015 -0.896 -15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.633 -0.462 -15.196 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.700 -2.524 -17.248 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.447 -4.036 -16.724 1.00 0.00 H new ATOM 1476 N GLY A 97 13.065 0.018 -11.519 1.00 0.00 N ATOM 1477 CA GLY A 97 11.725 -0.225 -10.915 1.00 0.00 C ATOM 1478 C GLY A 97 11.304 -1.672 -11.163 1.00 0.00 C ATOM 1479 O GLY A 97 12.117 -2.576 -11.159 1.00 0.00 O ATOM 0 H GLY A 97 13.815 0.197 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.756 -0.023 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.992 0.456 -11.347 1.00 0.00 H new ATOM 1483 N ALA A 98 10.040 -1.900 -11.379 1.00 0.00 N ATOM 1484 CA ALA A 98 9.563 -3.288 -11.627 1.00 0.00 C ATOM 1485 C ALA A 98 8.447 -3.261 -12.672 1.00 0.00 C ATOM 1486 O ALA A 98 7.334 -3.674 -12.413 1.00 0.00 O ATOM 1487 CB ALA A 98 9.027 -3.885 -10.324 1.00 0.00 C ATOM 0 H ALA A 98 9.314 -1.183 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 98 10.390 -3.898 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.678 -4.901 -10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.821 -3.902 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.199 -3.277 -9.959 1.00 0.00 H new ATOM 1493 N PHE A 99 8.739 -2.767 -13.847 1.00 0.00 N ATOM 1494 CA PHE A 99 7.708 -2.700 -14.926 1.00 0.00 C ATOM 1495 C PHE A 99 6.832 -1.446 -14.737 1.00 0.00 C ATOM 1496 O PHE A 99 6.241 -0.951 -15.677 1.00 0.00 O ATOM 1497 CB PHE A 99 6.857 -3.996 -14.912 1.00 0.00 C ATOM 1498 CG PHE A 99 5.433 -3.727 -14.462 1.00 0.00 C ATOM 1499 CD1 PHE A 99 4.577 -2.959 -15.264 1.00 0.00 C ATOM 1500 CD2 PHE A 99 4.972 -4.241 -13.244 1.00 0.00 C ATOM 1501 CE1 PHE A 99 3.268 -2.706 -14.847 1.00 0.00 C ATOM 1502 CE2 PHE A 99 3.662 -3.985 -12.829 1.00 0.00 C ATOM 1503 CZ PHE A 99 2.811 -3.219 -13.629 1.00 0.00 C ATOM 0 H PHE A 99 9.656 -2.404 -14.108 1.00 0.00 H new ATOM 0 HA PHE A 99 8.194 -2.624 -15.898 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.847 -4.435 -15.909 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.317 -4.726 -14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.930 -2.563 -16.205 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.628 -4.835 -12.625 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.609 -2.114 -15.465 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.307 -4.380 -11.888 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.799 -3.023 -13.307 1.00 0.00 H new ATOM 1513 N ASP A 100 6.734 -0.939 -13.535 1.00 0.00 N ATOM 1514 CA ASP A 100 5.891 0.268 -13.298 1.00 0.00 C ATOM 1515 C ASP A 100 6.096 1.281 -14.426 1.00 0.00 C ATOM 1516 O ASP A 100 7.206 1.651 -14.746 1.00 0.00 O ATOM 1517 CB ASP A 100 6.282 0.907 -11.965 1.00 0.00 C ATOM 1518 CG ASP A 100 7.762 1.291 -11.998 1.00 0.00 C ATOM 1519 OD1 ASP A 100 8.440 0.876 -12.923 1.00 0.00 O ATOM 1520 OD2 ASP A 100 8.192 1.995 -11.098 1.00 0.00 O ATOM 0 H ASP A 100 7.202 -1.310 -12.708 1.00 0.00 H new ATOM 0 HA ASP A 100 4.843 -0.029 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.670 1.790 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.094 0.211 -11.147 1.00 0.00 H new ATOM 1525 N TYR A 101 5.027 1.733 -15.025 1.00 0.00 N ATOM 1526 CA TYR A 101 5.150 2.728 -16.128 1.00 0.00 C ATOM 1527 C TYR A 101 3.846 2.766 -16.926 1.00 0.00 C ATOM 1528 O TYR A 101 3.799 2.378 -18.077 1.00 0.00 O ATOM 1529 CB TYR A 101 6.306 2.337 -17.054 1.00 0.00 C ATOM 1530 CG TYR A 101 7.479 3.261 -16.816 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.268 4.633 -16.637 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.779 2.742 -16.779 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.356 5.486 -16.419 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.867 3.596 -16.561 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.655 4.968 -16.381 1.00 0.00 C ATOM 1536 OH TYR A 101 10.728 5.809 -16.164 1.00 0.00 O ATOM 0 H TYR A 101 4.072 1.455 -14.797 1.00 0.00 H new ATOM 0 HA TYR A 101 5.348 3.713 -15.704 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.600 1.304 -16.869 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.988 2.397 -18.095 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.265 5.034 -16.667 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.942 1.684 -16.919 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.193 6.545 -16.280 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.870 3.196 -16.532 1.00 0.00 H new ATOM 0 HH TYR A 101 11.558 5.288 -16.166 1.00 0.00 H new ATOM 1546 N LEU A 102 2.788 3.239 -16.325 1.00 0.00 N ATOM 1547 CA LEU A 102 1.487 3.313 -17.050 1.00 0.00 C ATOM 1548 C LEU A 102 1.163 4.779 -17.342 1.00 0.00 C ATOM 1549 O LEU A 102 1.426 5.642 -16.530 1.00 0.00 O ATOM 1550 CB LEU A 102 0.382 2.704 -16.182 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.780 2.258 -17.072 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.333 1.087 -17.947 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.954 1.819 -16.196 1.00 0.00 C ATOM 0 H LEU A 102 2.768 3.578 -15.363 1.00 0.00 H new ATOM 0 HA LEU A 102 1.553 2.758 -17.986 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.772 1.854 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.035 3.435 -15.452 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.090 3.088 -17.707 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.161 0.770 -18.581 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.504 1.399 -18.572 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.023 0.257 -17.313 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.782 1.501 -16.830 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.644 0.989 -15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.274 2.653 -15.572 1.00 0.00 H new ATOM 1565 N PRO A 103 0.608 5.017 -18.500 1.00 0.00 N ATOM 1566 CA PRO A 103 0.276 6.416 -18.855 1.00 0.00 C ATOM 1567 C PRO A 103 -1.230 6.669 -18.743 1.00 0.00 C ATOM 1568 O PRO A 103 -1.970 5.876 -18.194 1.00 0.00 O ATOM 1569 CB PRO A 103 0.731 6.559 -20.308 1.00 0.00 C ATOM 1570 CG PRO A 103 0.761 5.135 -20.892 1.00 0.00 C ATOM 1571 CD PRO A 103 0.852 4.174 -19.695 1.00 0.00 C ATOM 0 HA PRO A 103 0.758 7.132 -18.190 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.047 7.195 -20.869 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.716 7.023 -20.363 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.135 4.938 -21.480 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.614 5.007 -21.558 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.112 3.377 -19.773 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.831 3.697 -19.647 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.684 7.776 -19.266 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.136 8.109 -19.206 1.00 0.00 C ATOM 1581 C LYS A 104 -3.469 9.049 -20.374 1.00 0.00 C ATOM 1582 O LYS A 104 -2.578 9.663 -20.930 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.434 8.805 -17.874 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.472 9.978 -17.687 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.213 11.287 -17.963 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.360 12.078 -16.663 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.468 13.065 -16.805 1.00 0.00 N ATOM 0 H LYS A 104 -1.104 8.471 -19.737 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.740 7.204 -19.280 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.465 9.160 -17.859 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.328 8.099 -17.050 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.074 9.979 -16.672 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.622 9.878 -18.363 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.667 11.877 -18.700 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.195 11.078 -18.386 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.566 11.401 -15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.428 12.593 -16.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.569 13.604 -15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.253 13.718 -17.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.356 12.563 -17.008 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.732 9.142 -20.725 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.787 8.376 -20.021 1.00 0.00 C ATOM 1603 C PRO A 105 -5.713 6.894 -20.383 1.00 0.00 C ATOM 1604 O PRO A 105 -5.404 6.529 -21.500 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.096 8.982 -20.526 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.774 9.640 -21.881 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.253 9.866 -21.908 1.00 0.00 C ATOM 0 HA PRO A 105 -5.687 8.435 -18.937 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.862 8.214 -20.639 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.483 9.716 -19.819 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.086 9.000 -22.706 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.308 10.584 -21.990 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.814 9.483 -22.829 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.012 10.928 -21.858 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.988 6.038 -19.440 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.927 4.584 -19.714 1.00 0.00 C ATOM 1617 C PHE A 106 -7.219 3.911 -19.243 1.00 0.00 C ATOM 1618 O PHE A 106 -8.040 4.507 -18.575 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.735 3.994 -18.969 1.00 0.00 C ATOM 1620 CG PHE A 106 -4.718 2.508 -19.154 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -4.205 1.967 -20.331 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.223 1.675 -18.158 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -4.195 0.582 -20.519 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.217 0.291 -18.340 1.00 0.00 C ATOM 1625 CZ PHE A 106 -4.705 -0.258 -19.520 1.00 0.00 C ATOM 0 H PHE A 106 -6.253 6.288 -18.487 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.814 4.415 -20.785 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.808 4.429 -19.342 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.798 4.239 -17.909 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.815 2.618 -21.099 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.618 2.099 -17.247 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.796 0.161 -21.430 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.608 -0.356 -17.569 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.703 -1.329 -19.661 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.400 2.673 -19.602 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.631 1.935 -19.204 1.00 0.00 C ATOM 1637 C ASP A 107 -8.443 1.315 -17.813 1.00 0.00 C ATOM 1638 O ASP A 107 -7.628 1.757 -17.030 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.871 0.828 -20.229 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.367 0.522 -20.324 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.108 1.400 -20.734 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.748 -0.587 -19.985 1.00 0.00 O ATOM 0 H ASP A 107 -6.740 2.133 -20.161 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.482 2.615 -19.170 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.491 1.134 -21.204 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.325 -0.070 -19.942 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.188 0.289 -17.500 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.046 -0.367 -16.169 1.00 0.00 C ATOM 1649 C ILE A 108 -8.904 -1.873 -16.385 1.00 0.00 C ATOM 1650 O ILE A 108 -8.013 -2.505 -15.856 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.285 -0.057 -15.311 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.040 1.235 -14.530 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.554 -1.195 -14.318 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -11.233 2.174 -14.698 1.00 0.00 C ATOM 0 H ILE A 108 -9.892 -0.124 -18.112 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.165 0.008 -15.649 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.149 0.051 -15.967 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.888 1.010 -13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.131 1.720 -14.886 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.434 -0.956 -13.721 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.727 -2.122 -14.865 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.692 -1.316 -13.662 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.054 3.093 -14.140 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.364 2.410 -15.754 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.133 1.690 -14.320 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.767 -2.448 -17.173 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.675 -3.902 -17.442 1.00 0.00 C ATOM 1668 C ASP A 109 -8.418 -4.148 -18.260 1.00 0.00 C ATOM 1669 O ASP A 109 -7.676 -5.082 -18.030 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.897 -4.316 -18.250 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.011 -5.840 -18.282 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -11.573 -6.393 -17.352 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -10.540 -6.428 -19.241 1.00 0.00 O ATOM 0 H ASP A 109 -10.535 -1.968 -17.643 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.636 -4.474 -16.515 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.797 -3.885 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.820 -3.927 -19.266 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.169 -3.291 -19.206 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.953 -3.433 -20.041 1.00 0.00 C ATOM 1680 C GLU A 110 -5.750 -3.594 -19.111 1.00 0.00 C ATOM 1681 O GLU A 110 -4.944 -4.493 -19.272 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.805 -2.177 -20.904 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.593 -2.307 -21.833 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.554 -3.708 -22.445 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.484 -4.050 -23.156 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.592 -4.416 -22.193 1.00 0.00 O ATOM 0 H GLU A 110 -8.761 -2.493 -19.437 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.020 -4.303 -20.694 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.709 -2.025 -21.494 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.690 -1.301 -20.266 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.647 -1.557 -22.622 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.675 -2.118 -21.276 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.636 -2.751 -18.111 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.511 -2.883 -17.160 1.00 0.00 C ATOM 1695 C ALA A 111 -4.633 -4.235 -16.472 1.00 0.00 C ATOM 1696 O ALA A 111 -3.799 -5.097 -16.629 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.615 -1.776 -16.119 1.00 0.00 C ATOM 0 H ALA A 111 -6.278 -1.981 -17.921 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.555 -2.807 -17.678 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.790 -1.863 -15.412 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.568 -0.806 -16.614 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.561 -1.866 -15.586 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.676 -4.411 -15.704 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.896 -5.695 -14.982 1.00 0.00 C ATOM 1705 C VAL A 112 -5.398 -6.869 -15.833 1.00 0.00 C ATOM 1706 O VAL A 112 -4.340 -7.403 -15.606 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.407 -5.839 -14.711 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.822 -7.316 -14.664 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.739 -5.186 -13.368 1.00 0.00 C ATOM 0 H VAL A 112 -6.396 -3.706 -15.545 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.344 -5.698 -14.042 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.951 -5.351 -15.520 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.892 -7.387 -14.471 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.593 -7.789 -15.619 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.276 -7.822 -13.868 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.806 -5.284 -13.170 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.176 -5.678 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.472 -4.130 -13.401 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.172 -7.269 -16.803 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.780 -8.420 -17.675 1.00 0.00 C ATOM 1721 C ALA A 113 -4.280 -8.402 -17.992 1.00 0.00 C ATOM 1722 O ALA A 113 -3.531 -9.250 -17.545 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.564 -8.336 -18.987 1.00 0.00 C ATOM 0 H ALA A 113 -7.070 -6.845 -17.034 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.006 -9.344 -17.143 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.286 -9.170 -19.631 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.632 -8.381 -18.776 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.332 -7.397 -19.490 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.852 -7.462 -18.790 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.419 -7.378 -19.193 1.00 0.00 C ATOM 1731 C LEU A 114 -1.525 -7.785 -18.031 1.00 0.00 C ATOM 1732 O LEU A 114 -0.560 -8.507 -18.184 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.124 -5.932 -19.572 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.645 -5.777 -19.936 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.387 -6.410 -21.305 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.290 -4.289 -19.994 1.00 0.00 C ATOM 0 H LEU A 114 -4.447 -6.735 -19.187 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.227 -8.046 -20.032 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.748 -5.634 -20.415 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.374 -5.272 -18.742 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.032 -6.272 -19.183 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.666 -6.300 -21.564 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.643 -7.469 -21.270 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.000 -5.913 -22.057 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.763 -4.176 -20.253 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.904 -3.798 -20.749 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.475 -3.833 -19.022 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.850 -7.315 -16.871 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.048 -7.646 -15.672 1.00 0.00 C ATOM 1750 C VAL A 115 -1.222 -9.134 -15.341 1.00 0.00 C ATOM 1751 O VAL A 115 -0.259 -9.869 -15.276 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.512 -6.740 -14.511 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -2.018 -7.564 -13.321 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.337 -5.869 -14.060 1.00 0.00 C ATOM 0 H VAL A 115 -2.650 -6.706 -16.698 1.00 0.00 H new ATOM 0 HA VAL A 115 0.013 -7.469 -15.847 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.335 -6.121 -14.867 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.336 -6.893 -12.523 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.861 -8.178 -13.636 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.217 -8.207 -12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.655 -5.225 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.481 -6.507 -13.725 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.001 -5.254 -14.894 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.438 -9.567 -15.102 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.671 -11.002 -14.740 1.00 0.00 C ATOM 1766 C GLU A 116 -1.714 -11.892 -15.535 1.00 0.00 C ATOM 1767 O GLU A 116 -1.292 -12.937 -15.079 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.120 -11.396 -15.059 1.00 0.00 C ATOM 1769 CG GLU A 116 -5.058 -10.230 -14.733 1.00 0.00 C ATOM 1770 CD GLU A 116 -6.469 -10.764 -14.481 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.608 -11.649 -13.652 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -7.388 -10.280 -15.121 1.00 0.00 O ATOM 0 H GLU A 116 -3.278 -8.989 -15.142 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.492 -11.133 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.210 -11.664 -16.112 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.403 -12.275 -14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.698 -9.695 -13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.069 -9.517 -15.558 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.361 -11.470 -16.720 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.420 -12.272 -17.551 1.00 0.00 C ATOM 1781 C ARG A 117 1.014 -11.924 -17.158 1.00 0.00 C ATOM 1782 O ARG A 117 1.832 -12.793 -16.934 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.626 -11.948 -19.039 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.040 -11.411 -19.277 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.310 -11.344 -20.781 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.868 -12.646 -21.242 1.00 0.00 N ATOM 1787 CZ ARG A 117 -3.766 -12.674 -22.188 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -5.016 -12.420 -21.908 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -3.416 -12.955 -23.413 1.00 0.00 N ATOM 0 H ARG A 117 -1.685 -10.603 -17.148 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.608 -13.333 -17.385 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.109 -11.211 -19.363 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.464 -12.844 -19.639 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.773 -12.057 -18.793 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.145 -10.421 -18.833 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.010 -10.538 -21.000 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.388 -11.121 -21.318 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.548 -13.516 -20.818 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.290 -12.200 -20.950 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.719 -12.442 -22.647 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -2.440 -13.153 -23.632 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.119 -12.977 -24.152 1.00 0.00 H new ATOM 1803 N ALA A 118 1.327 -10.662 -17.068 1.00 0.00 N ATOM 1804 CA ALA A 118 2.710 -10.269 -16.683 1.00 0.00 C ATOM 1805 C ALA A 118 3.077 -10.964 -15.373 1.00 0.00 C ATOM 1806 O ALA A 118 4.004 -11.747 -15.315 1.00 0.00 O ATOM 1807 CB ALA A 118 2.776 -8.752 -16.492 1.00 0.00 C ATOM 0 H ALA A 118 0.687 -9.888 -17.244 1.00 0.00 H new ATOM 0 HA ALA A 118 3.409 -10.564 -17.466 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.789 -8.465 -16.210 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.504 -8.256 -17.424 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.082 -8.454 -15.706 1.00 0.00 H new ATOM 1813 N ILE A 119 2.359 -10.663 -14.322 1.00 0.00 N ATOM 1814 CA ILE A 119 2.645 -11.275 -12.999 1.00 0.00 C ATOM 1815 C ILE A 119 3.092 -12.729 -13.183 1.00 0.00 C ATOM 1816 O ILE A 119 3.991 -13.203 -12.518 1.00 0.00 O ATOM 1817 CB ILE A 119 1.368 -11.255 -12.160 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.662 -9.900 -12.284 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.726 -11.500 -10.689 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.511 -9.844 -11.300 1.00 0.00 C ATOM 0 H ILE A 119 1.576 -10.009 -14.329 1.00 0.00 H new ATOM 0 HA ILE A 119 3.436 -10.712 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 119 0.699 -12.036 -12.522 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.364 -9.092 -12.077 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.303 -9.757 -13.303 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.818 -11.487 -10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.213 -12.470 -10.590 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.402 -10.718 -10.344 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.014 -8.881 -11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.216 -10.643 -11.528 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.139 -9.968 -10.283 1.00 0.00 H new ATOM 1832 N SER A 120 2.459 -13.443 -14.080 1.00 0.00 N ATOM 1833 CA SER A 120 2.837 -14.870 -14.303 1.00 0.00 C ATOM 1834 C SER A 120 4.192 -14.948 -15.014 1.00 0.00 C ATOM 1835 O SER A 120 5.056 -15.717 -14.641 1.00 0.00 O ATOM 1836 CB SER A 120 1.770 -15.543 -15.168 1.00 0.00 C ATOM 1837 OG SER A 120 2.001 -16.947 -15.198 1.00 0.00 O ATOM 0 H SER A 120 1.698 -13.099 -14.666 1.00 0.00 H new ATOM 0 HA SER A 120 2.910 -15.378 -13.341 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.778 -15.335 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.797 -15.137 -16.179 1.00 0.00 H new ATOM 0 HG SER A 120 1.317 -17.379 -15.751 1.00 0.00 H new ATOM 1843 N HIS A 121 4.382 -14.164 -16.039 1.00 0.00 N ATOM 1844 CA HIS A 121 5.676 -14.195 -16.781 1.00 0.00 C ATOM 1845 C HIS A 121 6.844 -14.137 -15.794 1.00 0.00 C ATOM 1846 O HIS A 121 7.549 -15.107 -15.591 1.00 0.00 O ATOM 1847 CB HIS A 121 5.747 -12.992 -17.724 1.00 0.00 C ATOM 1848 CG HIS A 121 5.078 -13.331 -19.027 1.00 0.00 C ATOM 1849 ND1 HIS A 121 4.672 -12.357 -19.926 1.00 0.00 N ATOM 1850 CD2 HIS A 121 4.736 -14.533 -19.597 1.00 0.00 C ATOM 1851 CE1 HIS A 121 4.112 -12.984 -20.978 1.00 0.00 C ATOM 1852 NE2 HIS A 121 4.127 -14.311 -20.828 1.00 0.00 N ATOM 0 H HIS A 121 3.695 -13.500 -16.397 1.00 0.00 H new ATOM 0 HA HIS A 121 5.739 -15.119 -17.356 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.260 -12.130 -17.267 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.787 -12.715 -17.899 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.913 -15.503 -19.156 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.701 -12.476 -21.838 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.769 -15.012 -21.477 1.00 0.00 H new ATOM 1860 N TYR A 122 7.059 -13.004 -15.184 1.00 0.00 N ATOM 1861 CA TYR A 122 8.182 -12.875 -14.218 1.00 0.00 C ATOM 1862 C TYR A 122 8.215 -14.092 -13.292 1.00 0.00 C ATOM 1863 O TYR A 122 7.338 -14.290 -12.476 1.00 0.00 O ATOM 1864 CB TYR A 122 7.989 -11.605 -13.390 1.00 0.00 C ATOM 1865 CG TYR A 122 8.688 -10.449 -14.066 1.00 0.00 C ATOM 1866 CD1 TYR A 122 8.534 -10.246 -15.442 1.00 0.00 C ATOM 1867 CD2 TYR A 122 9.490 -9.580 -13.316 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.179 -9.174 -16.068 1.00 0.00 C ATOM 1869 CE2 TYR A 122 10.136 -8.508 -13.943 1.00 0.00 C ATOM 1870 CZ TYR A 122 9.983 -8.306 -15.319 1.00 0.00 C ATOM 1871 OH TYR A 122 10.620 -7.248 -15.936 1.00 0.00 O ATOM 0 H TYR A 122 6.502 -12.160 -15.315 1.00 0.00 H new ATOM 0 HA TYR A 122 9.124 -12.819 -14.763 1.00 0.00 H new ATOM 0 HB2 TYR A 122 6.926 -11.387 -13.281 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.389 -11.749 -12.386 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.917 -10.917 -16.021 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.610 -9.737 -12.254 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.057 -9.016 -17.129 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.753 -7.836 -13.364 1.00 0.00 H new ATOM 0 HH TYR A 122 11.136 -6.745 -15.272 1.00 0.00 H new ATOM 1881 N GLN A 123 9.227 -14.907 -13.414 1.00 0.00 N ATOM 1882 CA GLN A 123 9.328 -16.111 -12.545 1.00 0.00 C ATOM 1883 C GLN A 123 10.434 -17.025 -13.072 1.00 0.00 C ATOM 1884 O GLN A 123 11.046 -17.769 -12.332 1.00 0.00 O ATOM 1885 CB GLN A 123 7.999 -16.862 -12.556 1.00 0.00 C ATOM 1886 CG GLN A 123 7.517 -17.049 -11.117 1.00 0.00 C ATOM 1887 CD GLN A 123 7.747 -18.498 -10.681 1.00 0.00 C ATOM 1888 OE1 GLN A 123 7.819 -19.390 -11.502 1.00 0.00 O ATOM 1889 NE2 GLN A 123 7.861 -18.770 -9.410 1.00 0.00 N ATOM 0 H GLN A 123 9.990 -14.789 -14.081 1.00 0.00 H new ATOM 0 HA GLN A 123 9.562 -15.805 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.258 -16.307 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.119 -17.831 -13.041 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.052 -16.370 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.458 -16.800 -11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.801 -18.021 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.011 -19.732 -9.106 1.00 0.00 H new ATOM 1898 N GLU A 124 10.697 -16.975 -14.351 1.00 0.00 N ATOM 1899 CA GLU A 124 11.763 -17.842 -14.929 1.00 0.00 C ATOM 1900 C GLU A 124 11.488 -19.302 -14.565 1.00 0.00 C ATOM 1901 O GLU A 124 12.027 -19.755 -13.570 1.00 0.00 O ATOM 1902 CB GLU A 124 13.122 -17.423 -14.364 1.00 0.00 C ATOM 1903 CG GLU A 124 13.424 -15.979 -14.769 1.00 0.00 C ATOM 1904 CD GLU A 124 14.660 -15.949 -15.670 1.00 0.00 C ATOM 1905 OE1 GLU A 124 15.437 -16.887 -15.608 1.00 0.00 O ATOM 1906 OE2 GLU A 124 14.809 -14.988 -16.406 1.00 0.00 O ATOM 1907 OXT GLU A 124 10.740 -19.941 -15.288 1.00 0.00 O ATOM 0 H GLU A 124 10.219 -16.371 -15.020 1.00 0.00 H new ATOM 0 HA GLU A 124 11.770 -17.734 -16.014 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.119 -17.513 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.902 -18.087 -14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.569 -15.551 -15.292 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.593 -15.369 -13.882 1.00 0.00 H new TER 1914 GLU A 124