USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 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= -3.41! C(o=-16!,f=-22!) USER MOD Set 1.2: A 68 GLN :FLIP amide:sc= -12.5! C(o=-18!,f=-16!) USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= 0.0113 F(o=-0.73,f=0.023) USER MOD Set 2.2: A 29 THR OG1 : rot -15:sc= 0.012 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.301 (180deg=-1.92!) 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 30 CYS SG : rot 120:sc= -2.57! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -63:sc= -6.81! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.131 (180deg=-0.292) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 57 MET CE :methyl -173:sc=-0.00964 (180deg=-0.066) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= -0.509 (180deg=-2.46!) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= 0.0401 (180deg=0.000278) USER MOD Single : A 71 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.5!) USER MOD Single : A 73 HIS : no HE2:sc= -19.2! C(o=-19!,f=-24!) USER MOD Single : A 75 MET CE :methyl -163:sc= -0.078 (180deg=-0.321) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.19) USER MOD Single : A 85 SER OG : rot 165:sc= -1.7! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0803 F(o=-0.61,f=-0.08) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.1) 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= -0.386 X(o=-0.39,f=-0.19) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.238 -15.539 -10.518 1.00 0.00 N ATOM 2 CA MET A 1 -15.051 -14.791 -11.794 1.00 0.00 C ATOM 3 C MET A 1 -13.992 -13.706 -11.597 1.00 0.00 C ATOM 4 O MET A 1 -14.052 -12.649 -12.194 1.00 0.00 O ATOM 5 CB MET A 1 -16.377 -14.147 -12.206 1.00 0.00 C ATOM 6 CG MET A 1 -17.016 -13.477 -10.989 1.00 0.00 C ATOM 7 SD MET A 1 -18.502 -14.390 -10.509 1.00 0.00 S ATOM 8 CE MET A 1 -18.876 -13.435 -9.019 1.00 0.00 C ATOM 0 H1 MET A 1 -16.230 -15.842 -10.435 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.619 -16.375 -10.512 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.996 -14.923 -9.716 1.00 0.00 H new ATOM 0 HA MET A 1 -14.724 -15.477 -12.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.208 -13.412 -12.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.049 -14.902 -12.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.308 -13.452 -10.161 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.271 -12.443 -11.222 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.776 -13.832 -8.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.041 -13.506 -8.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.037 -12.391 -9.287 1.00 0.00 H new ATOM 20 N GLN A 2 -13.019 -13.960 -10.766 1.00 0.00 N ATOM 21 CA GLN A 2 -11.952 -12.948 -10.533 1.00 0.00 C ATOM 22 C GLN A 2 -10.591 -13.643 -10.541 1.00 0.00 C ATOM 23 O GLN A 2 -10.349 -14.555 -9.776 1.00 0.00 O ATOM 24 CB GLN A 2 -12.173 -12.270 -9.178 1.00 0.00 C ATOM 25 CG GLN A 2 -13.637 -11.839 -9.053 1.00 0.00 C ATOM 26 CD GLN A 2 -13.915 -11.390 -7.617 1.00 0.00 C ATOM 27 OE1 GLN A 2 -12.933 -10.942 -6.884 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -15.038 -11.447 -7.158 1.00 0.00 N flip ATOM 0 H GLN A 2 -12.917 -14.827 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.984 -12.195 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.915 -12.955 -8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.519 -11.404 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.848 -11.026 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.295 -12.666 -9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.806 -11.797 -7.731 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.213 -11.145 -6.200 1.00 0.00 H new ATOM 37 N ARG A 3 -9.702 -13.230 -11.403 1.00 0.00 N ATOM 38 CA ARG A 3 -8.367 -13.890 -11.450 1.00 0.00 C ATOM 39 C ARG A 3 -7.262 -12.842 -11.468 1.00 0.00 C ATOM 40 O ARG A 3 -6.389 -12.861 -12.314 1.00 0.00 O ATOM 41 CB ARG A 3 -8.253 -14.773 -12.702 1.00 0.00 C ATOM 42 CG ARG A 3 -9.640 -15.015 -13.311 1.00 0.00 C ATOM 43 CD ARG A 3 -9.516 -15.953 -14.513 1.00 0.00 C ATOM 44 NE ARG A 3 -10.869 -16.224 -15.073 1.00 0.00 N ATOM 45 CZ ARG A 3 -11.603 -17.181 -14.574 1.00 0.00 C ATOM 46 NH1 ARG A 3 -11.176 -18.413 -14.606 1.00 0.00 N ATOM 47 NH2 ARG A 3 -12.763 -16.907 -14.043 1.00 0.00 N ATOM 0 H ARG A 3 -9.840 -12.471 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.259 -14.512 -10.561 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.605 -14.294 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.791 -15.726 -12.443 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.305 -15.450 -12.565 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.083 -14.068 -13.620 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.879 -15.503 -15.275 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.042 -16.887 -14.212 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.222 -15.661 -15.847 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.269 -18.628 -15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.749 -19.162 -14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.097 -15.944 -14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.335 -17.656 -13.654 1.00 0.00 H new ATOM 61 N GLY A 4 -7.279 -11.934 -10.538 1.00 0.00 N ATOM 62 CA GLY A 4 -6.208 -10.896 -10.508 1.00 0.00 C ATOM 63 C GLY A 4 -6.347 -10.018 -9.262 1.00 0.00 C ATOM 64 O GLY A 4 -7.345 -9.360 -9.064 1.00 0.00 O ATOM 0 H GLY A 4 -7.981 -11.862 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.229 -11.375 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.267 -10.278 -11.404 1.00 0.00 H new ATOM 68 N ILE A 5 -5.341 -9.981 -8.430 1.00 0.00 N ATOM 69 CA ILE A 5 -5.415 -9.122 -7.214 1.00 0.00 C ATOM 70 C ILE A 5 -4.514 -7.903 -7.422 1.00 0.00 C ATOM 71 O ILE A 5 -3.314 -8.026 -7.599 1.00 0.00 O ATOM 72 CB ILE A 5 -4.949 -9.901 -5.980 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.471 -11.338 -6.042 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.502 -9.230 -4.721 1.00 0.00 C ATOM 75 CD1 ILE A 5 -4.615 -12.157 -7.007 1.00 0.00 C ATOM 0 H ILE A 5 -4.474 -10.507 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.446 -8.807 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.859 -9.910 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.447 -11.787 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.511 -11.343 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.173 -9.781 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.137 -8.205 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.591 -9.225 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.990 -13.180 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.662 -11.713 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.581 -12.163 -6.661 1.00 0.00 H new ATOM 87 N VAL A 6 -5.082 -6.730 -7.419 1.00 0.00 N ATOM 88 CA VAL A 6 -4.259 -5.509 -7.634 1.00 0.00 C ATOM 89 C VAL A 6 -4.427 -4.555 -6.442 1.00 0.00 C ATOM 90 O VAL A 6 -5.486 -3.993 -6.238 1.00 0.00 O ATOM 91 CB VAL A 6 -4.710 -4.835 -8.952 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.191 -3.395 -8.717 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.534 -4.812 -9.931 1.00 0.00 C ATOM 0 H VAL A 6 -6.078 -6.564 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.204 -5.770 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.542 -5.411 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.499 -2.955 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.036 -3.401 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.380 -2.805 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.845 -4.338 -10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.709 -4.249 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.209 -5.833 -10.134 1.00 0.00 H new ATOM 103 N TRP A 7 -3.398 -4.345 -5.661 1.00 0.00 N ATOM 104 CA TRP A 7 -3.547 -3.401 -4.518 1.00 0.00 C ATOM 105 C TRP A 7 -2.978 -2.044 -4.925 1.00 0.00 C ATOM 106 O TRP A 7 -1.799 -1.782 -4.799 1.00 0.00 O ATOM 107 CB TRP A 7 -2.825 -3.929 -3.280 1.00 0.00 C ATOM 108 CG TRP A 7 -3.828 -4.060 -2.182 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.674 -3.079 -1.791 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.125 -5.212 -1.342 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.468 -3.555 -0.767 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.168 -4.865 -0.452 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.595 -6.510 -1.267 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.667 -5.775 0.480 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.094 -7.430 -0.332 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.128 -7.063 0.541 1.00 0.00 C ATOM 0 H TRP A 7 -2.480 -4.777 -5.763 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.603 -3.300 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.363 -4.893 -3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.025 -3.249 -2.986 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.720 -2.085 -2.212 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.189 -3.005 -0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.797 -6.803 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.464 -5.486 1.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.679 -8.426 -0.285 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.507 -7.775 1.259 1.00 0.00 H new ATOM 127 N VAL A 8 -3.819 -1.190 -5.438 1.00 0.00 N ATOM 128 CA VAL A 8 -3.361 0.152 -5.897 1.00 0.00 C ATOM 129 C VAL A 8 -3.298 1.138 -4.726 1.00 0.00 C ATOM 130 O VAL A 8 -4.051 1.044 -3.777 1.00 0.00 O ATOM 131 CB VAL A 8 -4.361 0.677 -6.929 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.910 2.050 -7.431 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.440 -0.298 -8.105 1.00 0.00 C ATOM 0 H VAL A 8 -4.816 -1.367 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.364 0.058 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.344 0.768 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.624 2.421 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.858 2.745 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.926 1.964 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.152 0.076 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.457 -0.391 -8.567 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.767 -1.274 -7.747 1.00 0.00 H new ATOM 143 N VAL A 9 -2.416 2.101 -4.805 1.00 0.00 N ATOM 144 CA VAL A 9 -2.313 3.117 -3.721 1.00 0.00 C ATOM 145 C VAL A 9 -3.257 4.274 -4.057 1.00 0.00 C ATOM 146 O VAL A 9 -3.168 4.873 -5.112 1.00 0.00 O ATOM 147 CB VAL A 9 -0.874 3.631 -3.628 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.814 4.807 -2.651 1.00 0.00 C ATOM 149 CG2 VAL A 9 0.034 2.505 -3.124 1.00 0.00 C ATOM 0 H VAL A 9 -1.762 2.226 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.587 2.675 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.540 3.959 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.211 5.173 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.463 5.608 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.147 4.479 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.060 2.867 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.302 2.180 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.009 1.665 -3.817 1.00 0.00 H new ATOM 159 N ASP A 10 -4.178 4.571 -3.180 1.00 0.00 N ATOM 160 CA ASP A 10 -5.157 5.663 -3.454 1.00 0.00 C ATOM 161 C ASP A 10 -4.459 7.032 -3.466 1.00 0.00 C ATOM 162 O ASP A 10 -3.565 7.303 -2.687 1.00 0.00 O ATOM 163 CB ASP A 10 -6.264 5.616 -2.378 1.00 0.00 C ATOM 164 CG ASP A 10 -6.591 7.020 -1.848 1.00 0.00 C ATOM 165 OD1 ASP A 10 -5.707 7.635 -1.276 1.00 0.00 O ATOM 166 OD2 ASP A 10 -7.717 7.453 -2.026 1.00 0.00 O ATOM 0 H ASP A 10 -4.295 4.102 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.601 5.518 -4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.163 5.166 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.945 4.979 -1.553 1.00 0.00 H new ATOM 171 N ASP A 11 -4.894 7.900 -4.342 1.00 0.00 N ATOM 172 CA ASP A 11 -4.306 9.267 -4.426 1.00 0.00 C ATOM 173 C ASP A 11 -5.226 10.241 -3.680 1.00 0.00 C ATOM 174 O ASP A 11 -4.861 10.807 -2.669 1.00 0.00 O ATOM 175 CB ASP A 11 -4.197 9.680 -5.899 1.00 0.00 C ATOM 176 CG ASP A 11 -4.068 11.204 -6.015 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.742 11.832 -5.022 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.301 11.716 -7.097 1.00 0.00 O ATOM 0 H ASP A 11 -5.642 7.716 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.313 9.281 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.332 9.199 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.077 9.340 -6.445 1.00 0.00 H new ATOM 183 N ASP A 12 -6.420 10.435 -4.175 1.00 0.00 N ATOM 184 CA ASP A 12 -7.369 11.366 -3.503 1.00 0.00 C ATOM 185 C ASP A 12 -8.506 10.561 -2.874 1.00 0.00 C ATOM 186 O ASP A 12 -8.597 9.362 -3.038 1.00 0.00 O ATOM 187 CB ASP A 12 -7.945 12.343 -4.531 1.00 0.00 C ATOM 188 CG ASP A 12 -7.399 13.747 -4.263 1.00 0.00 C ATOM 189 OD1 ASP A 12 -6.220 13.855 -3.966 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.168 14.689 -4.358 1.00 0.00 O ATOM 0 H ASP A 12 -6.778 9.987 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.843 11.925 -2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.680 12.025 -5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.033 12.348 -4.474 1.00 0.00 H new ATOM 195 N SER A 13 -9.375 11.211 -2.152 1.00 0.00 N ATOM 196 CA SER A 13 -10.504 10.479 -1.514 1.00 0.00 C ATOM 197 C SER A 13 -11.415 9.895 -2.597 1.00 0.00 C ATOM 198 O SER A 13 -11.556 10.450 -3.668 1.00 0.00 O ATOM 199 CB SER A 13 -11.306 11.445 -0.640 1.00 0.00 C ATOM 200 OG SER A 13 -12.097 12.284 -1.471 1.00 0.00 O ATOM 0 H SER A 13 -9.353 12.215 -1.976 1.00 0.00 H new ATOM 0 HA SER A 13 -10.110 9.670 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.944 10.888 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.632 12.048 -0.031 1.00 0.00 H new ATOM 0 HG SER A 13 -12.613 12.903 -0.914 1.00 0.00 H new ATOM 206 N SER A 14 -12.036 8.776 -2.323 1.00 0.00 N ATOM 207 CA SER A 14 -12.943 8.151 -3.329 1.00 0.00 C ATOM 208 C SER A 14 -12.118 7.421 -4.391 1.00 0.00 C ATOM 209 O SER A 14 -12.564 7.218 -5.502 1.00 0.00 O ATOM 210 CB SER A 14 -13.790 9.235 -4.001 1.00 0.00 C ATOM 211 OG SER A 14 -15.108 8.745 -4.202 1.00 0.00 O ATOM 0 H SER A 14 -11.953 8.268 -1.443 1.00 0.00 H new ATOM 0 HA SER A 14 -13.595 7.437 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.814 10.131 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.346 9.520 -4.955 1.00 0.00 H new ATOM 0 HG SER A 14 -15.653 9.438 -4.631 1.00 0.00 H new ATOM 217 N ILE A 15 -10.921 7.020 -4.063 1.00 0.00 N ATOM 218 CA ILE A 15 -10.078 6.300 -5.060 1.00 0.00 C ATOM 219 C ILE A 15 -10.450 4.814 -5.062 1.00 0.00 C ATOM 220 O ILE A 15 -10.661 4.220 -6.103 1.00 0.00 O ATOM 221 CB ILE A 15 -8.601 6.471 -4.696 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.150 7.886 -5.093 1.00 0.00 C ATOM 223 CG2 ILE A 15 -7.758 5.422 -5.431 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.724 7.918 -6.565 1.00 0.00 C ATOM 0 H ILE A 15 -10.490 7.159 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.250 6.712 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.467 6.334 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.963 8.593 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.320 8.201 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.708 5.549 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.086 4.424 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.880 5.546 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.408 8.927 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.896 7.226 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.565 7.624 -7.194 1.00 0.00 H new ATOM 236 N ARG A 16 -10.546 4.211 -3.908 1.00 0.00 N ATOM 237 CA ARG A 16 -10.921 2.771 -3.860 1.00 0.00 C ATOM 238 C ARG A 16 -12.210 2.598 -4.652 1.00 0.00 C ATOM 239 O ARG A 16 -12.338 1.723 -5.485 1.00 0.00 O ATOM 240 CB ARG A 16 -11.178 2.341 -2.415 1.00 0.00 C ATOM 241 CG ARG A 16 -10.163 2.996 -1.482 1.00 0.00 C ATOM 242 CD ARG A 16 -10.003 2.127 -0.235 1.00 0.00 C ATOM 243 NE ARG A 16 -11.150 2.366 0.686 1.00 0.00 N ATOM 244 CZ ARG A 16 -10.935 2.811 1.895 1.00 0.00 C ATOM 245 NH1 ARG A 16 -10.296 3.934 2.073 1.00 0.00 N ATOM 246 NH2 ARG A 16 -11.360 2.131 2.926 1.00 0.00 N ATOM 0 H ARG A 16 -10.382 4.651 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.115 2.166 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.189 2.621 -2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.111 1.256 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.204 3.109 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.497 3.996 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.960 1.074 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.064 2.361 0.267 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.103 2.182 0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.964 4.465 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.128 4.281 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.860 1.253 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.192 2.478 3.870 1.00 0.00 H new ATOM 260 N TRP A 17 -13.167 3.443 -4.390 1.00 0.00 N ATOM 261 CA TRP A 17 -14.460 3.360 -5.114 1.00 0.00 C ATOM 262 C TRP A 17 -14.200 3.426 -6.616 1.00 0.00 C ATOM 263 O TRP A 17 -14.529 2.522 -7.342 1.00 0.00 O ATOM 264 CB TRP A 17 -15.346 4.535 -4.700 1.00 0.00 C ATOM 265 CG TRP A 17 -16.693 4.394 -5.333 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.408 3.247 -5.393 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.496 5.412 -5.996 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.600 3.498 -6.048 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.702 4.818 -6.440 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.299 6.781 -6.252 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.676 5.555 -7.115 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.276 7.525 -6.931 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.463 6.914 -7.361 1.00 0.00 C ATOM 0 H TRP A 17 -13.106 4.192 -3.700 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.959 2.422 -4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.444 4.565 -3.615 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -14.886 5.475 -5.005 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.099 2.292 -4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.317 2.793 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.390 7.263 -5.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.587 5.079 -7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.113 8.575 -7.124 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.211 7.493 -7.882 1.00 0.00 H new ATOM 284 N VAL A 18 -13.637 4.506 -7.084 1.00 0.00 N ATOM 285 CA VAL A 18 -13.376 4.651 -8.550 1.00 0.00 C ATOM 286 C VAL A 18 -12.959 3.302 -9.163 1.00 0.00 C ATOM 287 O VAL A 18 -13.672 2.714 -9.959 1.00 0.00 O ATOM 288 CB VAL A 18 -12.246 5.672 -8.747 1.00 0.00 C ATOM 289 CG1 VAL A 18 -11.642 5.527 -10.147 1.00 0.00 C ATOM 290 CG2 VAL A 18 -12.809 7.087 -8.591 1.00 0.00 C ATOM 0 H VAL A 18 -13.344 5.299 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.286 4.988 -9.046 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.472 5.492 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.842 6.256 -10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.239 4.521 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.414 5.700 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.009 7.814 -8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.585 7.254 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.234 7.202 -7.594 1.00 0.00 H new ATOM 300 N LEU A 19 -11.797 2.825 -8.809 1.00 0.00 N ATOM 301 CA LEU A 19 -11.301 1.536 -9.375 1.00 0.00 C ATOM 302 C LEU A 19 -12.257 0.389 -9.039 1.00 0.00 C ATOM 303 O LEU A 19 -12.969 -0.100 -9.892 1.00 0.00 O ATOM 304 CB LEU A 19 -9.920 1.227 -8.793 1.00 0.00 C ATOM 305 CG LEU A 19 -8.871 2.116 -9.463 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.760 2.437 -8.462 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.274 1.382 -10.665 1.00 0.00 C ATOM 0 H LEU A 19 -11.165 3.275 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.241 1.633 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.921 1.397 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.675 0.177 -8.950 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.340 3.042 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.012 3.070 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.183 2.959 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.292 1.511 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.526 2.015 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.806 0.456 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.064 1.151 -11.379 1.00 0.00 H new ATOM 319 N GLU A 20 -12.247 -0.059 -7.811 1.00 0.00 N ATOM 320 CA GLU A 20 -13.123 -1.199 -7.395 1.00 0.00 C ATOM 321 C GLU A 20 -14.464 -1.166 -8.143 1.00 0.00 C ATOM 322 O GLU A 20 -15.067 -2.190 -8.393 1.00 0.00 O ATOM 323 CB GLU A 20 -13.383 -1.099 -5.889 1.00 0.00 C ATOM 324 CG GLU A 20 -13.575 -2.502 -5.307 1.00 0.00 C ATOM 325 CD GLU A 20 -13.542 -2.428 -3.779 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.527 -1.997 -3.204 1.00 0.00 O ATOM 327 OE2 GLU A 20 -12.529 -2.801 -3.209 1.00 0.00 O ATOM 0 H GLU A 20 -11.662 0.321 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.618 -2.135 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.547 -0.602 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.269 -0.492 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.525 -2.919 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.790 -3.167 -5.667 1.00 0.00 H new ATOM 334 N ARG A 21 -14.931 -0.004 -8.505 1.00 0.00 N ATOM 335 CA ARG A 21 -16.224 0.083 -9.240 1.00 0.00 C ATOM 336 C ARG A 21 -16.026 -0.484 -10.640 1.00 0.00 C ATOM 337 O ARG A 21 -16.697 -1.413 -11.047 1.00 0.00 O ATOM 338 CB ARG A 21 -16.670 1.543 -9.338 1.00 0.00 C ATOM 339 CG ARG A 21 -18.172 1.636 -9.069 1.00 0.00 C ATOM 340 CD ARG A 21 -18.937 0.970 -10.213 1.00 0.00 C ATOM 341 NE ARG A 21 -19.786 1.985 -10.898 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.829 2.026 -12.201 1.00 0.00 C ATOM 343 NH1 ARG A 21 -18.907 2.669 -12.865 1.00 0.00 N ATOM 344 NH2 ARG A 21 -20.791 1.424 -12.842 1.00 0.00 N ATOM 0 H ARG A 21 -14.473 0.889 -8.324 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.989 -0.484 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.122 2.151 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.442 1.939 -10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.414 1.150 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.472 2.680 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.238 0.526 -10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -19.558 0.161 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.333 2.647 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.153 3.139 -12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.941 2.701 -13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.511 0.920 -12.325 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.824 1.457 -13.861 1.00 0.00 H new ATOM 358 N ALA A 22 -15.092 0.051 -11.374 1.00 0.00 N ATOM 359 CA ALA A 22 -14.836 -0.478 -12.740 1.00 0.00 C ATOM 360 C ALA A 22 -14.159 -1.846 -12.621 1.00 0.00 C ATOM 361 O ALA A 22 -13.906 -2.514 -13.604 1.00 0.00 O ATOM 362 CB ALA A 22 -13.918 0.481 -13.500 1.00 0.00 C ATOM 0 H ALA A 22 -14.497 0.829 -11.088 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.778 -0.574 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.732 0.091 -14.501 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.395 1.458 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.972 0.578 -12.967 1.00 0.00 H new ATOM 368 N LEU A 23 -13.862 -2.265 -11.417 1.00 0.00 N ATOM 369 CA LEU A 23 -13.199 -3.581 -11.222 1.00 0.00 C ATOM 370 C LEU A 23 -14.226 -4.603 -10.729 1.00 0.00 C ATOM 371 O LEU A 23 -13.971 -5.794 -10.699 1.00 0.00 O ATOM 372 CB LEU A 23 -12.077 -3.424 -10.195 1.00 0.00 C ATOM 373 CG LEU A 23 -10.751 -3.283 -10.941 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.471 -4.569 -11.722 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.843 -2.110 -11.919 1.00 0.00 C ATOM 0 H LEU A 23 -14.053 -1.747 -10.560 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.780 -3.931 -12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.255 -2.548 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.048 -4.288 -9.531 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.947 -3.104 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.526 -4.472 -12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.413 -5.409 -11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.275 -4.743 -12.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.898 -2.007 -12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.645 -2.294 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.051 -1.193 -11.368 1.00 0.00 H new ATOM 387 N ALA A 24 -15.393 -4.147 -10.357 1.00 0.00 N ATOM 388 CA ALA A 24 -16.445 -5.090 -9.887 1.00 0.00 C ATOM 389 C ALA A 24 -17.172 -5.648 -11.109 1.00 0.00 C ATOM 390 O ALA A 24 -17.566 -6.797 -11.142 1.00 0.00 O ATOM 391 CB ALA A 24 -17.439 -4.350 -8.989 1.00 0.00 C ATOM 0 H ALA A 24 -15.661 -3.163 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.993 -5.901 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.207 -5.044 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.914 -3.937 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.905 -3.541 -9.552 1.00 0.00 H new ATOM 397 N GLY A 25 -17.336 -4.842 -12.124 1.00 0.00 N ATOM 398 CA GLY A 25 -18.019 -5.325 -13.357 1.00 0.00 C ATOM 399 C GLY A 25 -17.059 -6.241 -14.114 1.00 0.00 C ATOM 400 O GLY A 25 -17.453 -7.236 -14.689 1.00 0.00 O ATOM 0 H GLY A 25 -17.026 -3.871 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.932 -5.862 -13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.312 -4.482 -13.983 1.00 0.00 H new ATOM 404 N ALA A 26 -15.794 -5.918 -14.102 1.00 0.00 N ATOM 405 CA ALA A 26 -14.796 -6.773 -14.800 1.00 0.00 C ATOM 406 C ALA A 26 -14.667 -8.091 -14.041 1.00 0.00 C ATOM 407 O ALA A 26 -14.458 -9.140 -14.619 1.00 0.00 O ATOM 408 CB ALA A 26 -13.439 -6.063 -14.820 1.00 0.00 C ATOM 0 H ALA A 26 -15.409 -5.096 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.118 -6.961 -15.824 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.708 -6.689 -15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.533 -5.113 -15.345 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.109 -5.881 -13.797 1.00 0.00 H new ATOM 414 N GLY A 27 -14.797 -8.043 -12.743 1.00 0.00 N ATOM 415 CA GLY A 27 -14.688 -9.286 -11.931 1.00 0.00 C ATOM 416 C GLY A 27 -13.235 -9.502 -11.510 1.00 0.00 C ATOM 417 O GLY A 27 -12.559 -10.370 -12.019 1.00 0.00 O ATOM 0 H GLY A 27 -14.975 -7.192 -12.209 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.325 -9.213 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.040 -10.141 -12.508 1.00 0.00 H new ATOM 421 N LEU A 28 -12.747 -8.722 -10.584 1.00 0.00 N ATOM 422 CA LEU A 28 -11.333 -8.896 -10.134 1.00 0.00 C ATOM 423 C LEU A 28 -11.214 -8.559 -8.653 1.00 0.00 C ATOM 424 O LEU A 28 -12.145 -8.107 -8.016 1.00 0.00 O ATOM 425 CB LEU A 28 -10.417 -7.950 -10.903 1.00 0.00 C ATOM 426 CG LEU A 28 -9.717 -8.699 -12.034 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.984 -7.987 -13.359 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.212 -8.721 -11.765 1.00 0.00 C ATOM 0 H LEU A 28 -13.263 -7.974 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.044 -9.931 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.997 -7.121 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.677 -7.520 -10.228 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.097 -9.719 -12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.484 -8.522 -14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.057 -7.963 -13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.602 -6.968 -13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.706 -9.255 -12.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.836 -7.699 -11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.019 -9.225 -10.818 1.00 0.00 H new ATOM 440 N THR A 29 -10.056 -8.776 -8.119 1.00 0.00 N ATOM 441 CA THR A 29 -9.808 -8.480 -6.682 1.00 0.00 C ATOM 442 C THR A 29 -9.019 -7.177 -6.589 1.00 0.00 C ATOM 443 O THR A 29 -7.901 -7.144 -6.114 1.00 0.00 O ATOM 444 CB THR A 29 -8.993 -9.624 -6.074 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.719 -10.839 -6.205 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.728 -9.345 -4.595 1.00 0.00 C ATOM 0 H THR A 29 -9.253 -9.153 -8.622 1.00 0.00 H new ATOM 0 HA THR A 29 -10.749 -8.381 -6.141 1.00 0.00 H new ATOM 0 HB THR A 29 -8.041 -9.706 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.654 -10.640 -6.422 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.148 -10.163 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.170 -8.414 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.677 -9.259 -4.065 1.00 0.00 H new ATOM 454 N CYS A 30 -9.586 -6.109 -7.068 1.00 0.00 N ATOM 455 CA CYS A 30 -8.871 -4.807 -7.046 1.00 0.00 C ATOM 456 C CYS A 30 -9.042 -4.120 -5.692 1.00 0.00 C ATOM 457 O CYS A 30 -10.022 -3.444 -5.446 1.00 0.00 O ATOM 458 CB CYS A 30 -9.449 -3.921 -8.139 1.00 0.00 C ATOM 459 SG CYS A 30 -8.441 -2.428 -8.308 1.00 0.00 S ATOM 0 H CYS A 30 -10.520 -6.082 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.807 -4.977 -7.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.475 -4.463 -9.084 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.477 -3.652 -7.897 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.960 -2.364 -9.514 1.00 0.00 H new ATOM 465 N THR A 31 -8.088 -4.271 -4.818 1.00 0.00 N ATOM 466 CA THR A 31 -8.185 -3.611 -3.490 1.00 0.00 C ATOM 467 C THR A 31 -7.332 -2.341 -3.511 1.00 0.00 C ATOM 468 O THR A 31 -6.388 -2.234 -4.268 1.00 0.00 O ATOM 469 CB THR A 31 -7.665 -4.562 -2.407 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.176 -5.867 -2.641 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.120 -4.072 -1.030 1.00 0.00 C ATOM 0 H THR A 31 -7.244 -4.824 -4.967 1.00 0.00 H new ATOM 0 HA THR A 31 -9.223 -3.358 -3.274 1.00 0.00 H new ATOM 0 HB THR A 31 -6.576 -4.586 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.843 -6.477 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.749 -4.750 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.727 -3.071 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.209 -4.045 -0.995 1.00 0.00 H new ATOM 479 N THR A 32 -7.647 -1.379 -2.692 1.00 0.00 N ATOM 480 CA THR A 32 -6.836 -0.130 -2.679 1.00 0.00 C ATOM 481 C THR A 32 -6.653 0.340 -1.237 1.00 0.00 C ATOM 482 O THR A 32 -7.409 -0.020 -0.356 1.00 0.00 O ATOM 483 CB THR A 32 -7.538 0.963 -3.480 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.801 1.243 -2.895 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.733 0.498 -4.925 1.00 0.00 C ATOM 0 H THR A 32 -8.426 -1.402 -2.034 1.00 0.00 H new ATOM 0 HA THR A 32 -5.865 -0.333 -3.130 1.00 0.00 H new ATOM 0 HB THR A 32 -6.927 1.866 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.368 0.445 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.235 1.280 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.762 0.288 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.341 -0.406 -4.937 1.00 0.00 H new ATOM 493 N PHE A 33 -5.654 1.139 -0.987 1.00 0.00 N ATOM 494 CA PHE A 33 -5.425 1.627 0.400 1.00 0.00 C ATOM 495 C PHE A 33 -5.110 3.122 0.372 1.00 0.00 C ATOM 496 O PHE A 33 -4.159 3.557 -0.246 1.00 0.00 O ATOM 497 CB PHE A 33 -4.253 0.861 1.012 1.00 0.00 C ATOM 498 CG PHE A 33 -4.782 -0.311 1.808 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.052 -1.527 1.168 1.00 0.00 C ATOM 500 CD2 PHE A 33 -5.005 -0.180 3.184 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.545 -2.611 1.905 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.498 -1.266 3.920 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.768 -2.480 3.278 1.00 0.00 C ATOM 0 H PHE A 33 -4.987 1.475 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.320 1.464 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.584 0.509 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.670 1.519 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.880 -1.629 0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.797 0.758 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.753 -3.549 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.669 -1.166 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.149 -3.317 3.845 1.00 0.00 H new ATOM 513 N GLU A 34 -5.907 3.910 1.036 1.00 0.00 N ATOM 514 CA GLU A 34 -5.669 5.381 1.053 1.00 0.00 C ATOM 515 C GLU A 34 -4.176 5.667 1.237 1.00 0.00 C ATOM 516 O GLU A 34 -3.619 6.533 0.592 1.00 0.00 O ATOM 517 CB GLU A 34 -6.450 6.004 2.210 1.00 0.00 C ATOM 518 CG GLU A 34 -7.921 5.593 2.114 1.00 0.00 C ATOM 519 CD GLU A 34 -8.797 6.844 2.059 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.282 7.890 1.697 1.00 0.00 O ATOM 521 OE2 GLU A 34 -9.970 6.738 2.379 1.00 0.00 O ATOM 0 H GLU A 34 -6.718 3.598 1.571 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.001 5.810 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.032 5.678 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.362 7.090 2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.082 4.984 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.196 4.981 2.973 1.00 0.00 H new ATOM 528 N ASN A 35 -3.524 4.955 2.117 1.00 0.00 N ATOM 529 CA ASN A 35 -2.070 5.205 2.342 1.00 0.00 C ATOM 530 C ASN A 35 -1.245 4.032 1.805 1.00 0.00 C ATOM 531 O ASN A 35 -1.382 2.903 2.240 1.00 0.00 O ATOM 532 CB ASN A 35 -1.807 5.367 3.842 1.00 0.00 C ATOM 533 CG ASN A 35 -1.679 6.853 4.181 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.642 7.590 4.107 1.00 0.00 O ATOM 535 ND2 ASN A 35 -0.522 7.328 4.556 1.00 0.00 N ATOM 0 H ASN A 35 -3.933 4.215 2.687 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.780 6.115 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.620 4.921 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.895 4.840 4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.427 8.317 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.287 6.710 4.618 1.00 0.00 H new ATOM 542 N GLY A 36 -0.379 4.295 0.864 1.00 0.00 N ATOM 543 CA GLY A 36 0.460 3.202 0.305 1.00 0.00 C ATOM 544 C GLY A 36 1.137 2.456 1.453 1.00 0.00 C ATOM 545 O GLY A 36 1.107 1.243 1.516 1.00 0.00 O ATOM 0 H GLY A 36 -0.218 5.218 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.155 2.517 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.210 3.612 -0.371 1.00 0.00 H new ATOM 549 N ASN A 37 1.750 3.173 2.364 1.00 0.00 N ATOM 550 CA ASN A 37 2.426 2.502 3.511 1.00 0.00 C ATOM 551 C ASN A 37 1.517 1.382 4.019 1.00 0.00 C ATOM 552 O ASN A 37 1.798 0.219 3.829 1.00 0.00 O ATOM 553 CB ASN A 37 2.668 3.515 4.632 1.00 0.00 C ATOM 554 CG ASN A 37 3.951 3.153 5.382 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.947 2.812 4.777 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.968 3.213 6.685 1.00 0.00 N ATOM 0 H ASN A 37 1.810 4.191 2.360 1.00 0.00 H new ATOM 0 HA ASN A 37 3.385 2.093 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.748 4.520 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.822 3.521 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.818 2.973 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.131 3.499 7.193 1.00 0.00 H new ATOM 563 N GLU A 38 0.431 1.734 4.666 1.00 0.00 N ATOM 564 CA GLU A 38 -0.518 0.709 5.190 1.00 0.00 C ATOM 565 C GLU A 38 -0.567 -0.486 4.236 1.00 0.00 C ATOM 566 O GLU A 38 -0.563 -1.623 4.655 1.00 0.00 O ATOM 567 CB GLU A 38 -1.915 1.324 5.286 1.00 0.00 C ATOM 568 CG GLU A 38 -2.295 1.506 6.758 1.00 0.00 C ATOM 569 CD GLU A 38 -3.385 2.573 6.879 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.062 2.817 5.893 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.525 3.128 7.957 1.00 0.00 O ATOM 0 H GLU A 38 0.162 2.700 4.854 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.185 0.377 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.936 2.285 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.642 0.681 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.649 0.562 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.419 1.799 7.337 1.00 0.00 H new ATOM 578 N VAL A 39 -0.608 -0.235 2.952 1.00 0.00 N ATOM 579 CA VAL A 39 -0.650 -1.364 1.977 1.00 0.00 C ATOM 580 C VAL A 39 0.584 -2.250 2.197 1.00 0.00 C ATOM 581 O VAL A 39 0.473 -3.439 2.410 1.00 0.00 O ATOM 582 CB VAL A 39 -0.690 -0.798 0.536 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.405 -1.413 -0.345 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.048 -1.114 -0.089 1.00 0.00 C ATOM 0 H VAL A 39 -0.614 0.698 2.539 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.545 -1.969 2.125 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.525 0.278 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.345 -0.991 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.383 -1.193 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.267 -2.493 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.082 -0.718 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.194 -2.194 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.838 -0.656 0.506 1.00 0.00 H new ATOM 594 N LEU A 40 1.757 -1.678 2.150 1.00 0.00 N ATOM 595 CA LEU A 40 2.992 -2.487 2.363 1.00 0.00 C ATOM 596 C LEU A 40 2.960 -3.097 3.766 1.00 0.00 C ATOM 597 O LEU A 40 3.654 -4.051 4.058 1.00 0.00 O ATOM 598 CB LEU A 40 4.225 -1.587 2.239 1.00 0.00 C ATOM 599 CG LEU A 40 4.706 -1.547 0.785 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.874 -2.973 0.254 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.682 -0.799 -0.070 1.00 0.00 C ATOM 0 H LEU A 40 1.914 -0.686 1.973 1.00 0.00 H new ATOM 0 HA LEU A 40 3.039 -3.277 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.984 -0.579 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.022 -1.958 2.883 1.00 0.00 H new ATOM 0 HG LEU A 40 5.666 -1.032 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.216 -2.938 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.608 -3.503 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.918 -3.494 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.024 -0.770 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.722 -1.312 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.570 0.219 0.304 1.00 0.00 H new ATOM 613 N ALA A 41 2.158 -2.549 4.636 1.00 0.00 N ATOM 614 CA ALA A 41 2.072 -3.084 6.022 1.00 0.00 C ATOM 615 C ALA A 41 1.274 -4.388 6.008 1.00 0.00 C ATOM 616 O ALA A 41 1.672 -5.375 6.597 1.00 0.00 O ATOM 617 CB ALA A 41 1.378 -2.048 6.911 1.00 0.00 C ATOM 0 H ALA A 41 1.555 -1.749 4.444 1.00 0.00 H new ATOM 0 HA ALA A 41 3.070 -3.283 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.310 -2.430 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.954 -1.122 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.376 -1.853 6.529 1.00 0.00 H new ATOM 623 N ALA A 42 0.167 -4.414 5.319 1.00 0.00 N ATOM 624 CA ALA A 42 -0.628 -5.666 5.245 1.00 0.00 C ATOM 625 C ALA A 42 0.090 -6.616 4.290 1.00 0.00 C ATOM 626 O ALA A 42 -0.114 -7.813 4.306 1.00 0.00 O ATOM 627 CB ALA A 42 -2.030 -5.363 4.712 1.00 0.00 C ATOM 0 H ALA A 42 -0.219 -3.622 4.805 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.724 -6.114 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.607 -6.286 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.529 -4.660 5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.954 -4.927 3.716 1.00 0.00 H new ATOM 633 N LEU A 43 0.949 -6.076 3.465 1.00 0.00 N ATOM 634 CA LEU A 43 1.709 -6.920 2.511 1.00 0.00 C ATOM 635 C LEU A 43 2.887 -7.549 3.257 1.00 0.00 C ATOM 636 O LEU A 43 2.706 -8.461 4.040 1.00 0.00 O ATOM 637 CB LEU A 43 2.219 -6.039 1.358 1.00 0.00 C ATOM 638 CG LEU A 43 1.124 -5.829 0.301 1.00 0.00 C ATOM 639 CD1 LEU A 43 1.250 -6.902 -0.777 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.267 -5.911 0.938 1.00 0.00 C ATOM 0 H LEU A 43 1.154 -5.078 3.415 1.00 0.00 H new ATOM 0 HA LEU A 43 1.075 -7.706 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.543 -5.074 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.090 -6.505 0.897 1.00 0.00 H new ATOM 0 HG LEU A 43 1.249 -4.840 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.474 -6.756 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.230 -6.831 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.136 -7.887 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.027 -5.759 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.401 -6.892 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.363 -5.140 1.702 1.00 0.00 H new ATOM 652 N ALA A 44 4.086 -7.062 3.036 1.00 0.00 N ATOM 653 CA ALA A 44 5.274 -7.622 3.737 1.00 0.00 C ATOM 654 C ALA A 44 5.753 -8.880 3.006 1.00 0.00 C ATOM 655 O ALA A 44 6.885 -8.964 2.575 1.00 0.00 O ATOM 656 CB ALA A 44 4.908 -7.947 5.189 1.00 0.00 C ATOM 0 H ALA A 44 4.288 -6.295 2.395 1.00 0.00 H new ATOM 0 HA ALA A 44 6.081 -6.889 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.779 -8.357 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.585 -7.037 5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.100 -8.678 5.206 1.00 0.00 H new ATOM 662 N SER A 45 4.899 -9.851 2.854 1.00 0.00 N ATOM 663 CA SER A 45 5.299 -11.097 2.142 1.00 0.00 C ATOM 664 C SER A 45 4.759 -11.062 0.707 1.00 0.00 C ATOM 665 O SER A 45 5.019 -11.948 -0.081 1.00 0.00 O ATOM 666 CB SER A 45 4.717 -12.310 2.873 1.00 0.00 C ATOM 667 OG SER A 45 5.549 -13.440 2.642 1.00 0.00 O ATOM 0 H SER A 45 3.937 -9.836 3.193 1.00 0.00 H new ATOM 0 HA SER A 45 6.386 -11.170 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.648 -12.107 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.705 -12.511 2.521 1.00 0.00 H new ATOM 0 HG SER A 45 5.181 -14.218 3.110 1.00 0.00 H new ATOM 673 N LYS A 46 4.007 -10.042 0.369 1.00 0.00 N ATOM 674 CA LYS A 46 3.440 -9.934 -1.007 1.00 0.00 C ATOM 675 C LYS A 46 2.145 -10.767 -1.087 1.00 0.00 C ATOM 676 O LYS A 46 2.157 -11.977 -0.998 1.00 0.00 O ATOM 677 CB LYS A 46 4.506 -10.384 -2.030 1.00 0.00 C ATOM 678 CG LYS A 46 4.228 -11.792 -2.560 1.00 0.00 C ATOM 679 CD LYS A 46 3.151 -11.711 -3.636 1.00 0.00 C ATOM 680 CE LYS A 46 3.816 -11.506 -4.998 1.00 0.00 C ATOM 681 NZ LYS A 46 3.167 -12.392 -6.004 1.00 0.00 N ATOM 0 H LYS A 46 3.761 -9.275 0.995 1.00 0.00 H new ATOM 0 HA LYS A 46 3.177 -8.903 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.530 -9.681 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.491 -10.359 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.139 -12.227 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.902 -12.443 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.556 -12.625 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.469 -10.888 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.728 -10.464 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.881 -11.730 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.739 -12.409 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.092 -13.356 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.216 -12.031 -6.223 1.00 0.00 H new ATOM 695 N THR A 47 1.014 -10.119 -1.200 1.00 0.00 N ATOM 696 CA THR A 47 -0.268 -10.879 -1.231 1.00 0.00 C ATOM 697 C THR A 47 -0.848 -10.963 -2.650 1.00 0.00 C ATOM 698 O THR A 47 -0.799 -12.010 -3.265 1.00 0.00 O ATOM 699 CB THR A 47 -1.283 -10.230 -0.285 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.868 -10.438 1.058 1.00 0.00 O ATOM 701 CG2 THR A 47 -2.658 -10.865 -0.498 1.00 0.00 C ATOM 0 H THR A 47 0.924 -9.105 -1.271 1.00 0.00 H new ATOM 0 HA THR A 47 -0.059 -11.896 -0.900 1.00 0.00 H new ATOM 0 HB THR A 47 -1.343 -9.161 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.513 -10.023 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.380 -10.403 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.974 -10.711 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.601 -11.934 -0.291 1.00 0.00 H new ATOM 709 N PRO A 48 -1.403 -9.875 -3.121 1.00 0.00 N ATOM 710 CA PRO A 48 -1.999 -9.926 -4.479 1.00 0.00 C ATOM 711 C PRO A 48 -0.951 -10.399 -5.486 1.00 0.00 C ATOM 712 O PRO A 48 0.060 -10.969 -5.130 1.00 0.00 O ATOM 713 CB PRO A 48 -2.373 -8.481 -4.792 1.00 0.00 C ATOM 714 CG PRO A 48 -1.451 -7.625 -3.929 1.00 0.00 C ATOM 715 CD PRO A 48 -1.048 -8.489 -2.732 1.00 0.00 C ATOM 0 HA PRO A 48 -2.850 -10.605 -4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.236 -8.261 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.420 -8.287 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.573 -7.311 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.959 -6.719 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.018 -8.399 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.578 -8.185 -1.829 1.00 0.00 H new ATOM 723 N ASP A 49 -1.176 -10.144 -6.742 1.00 0.00 N ATOM 724 CA ASP A 49 -0.186 -10.554 -7.766 1.00 0.00 C ATOM 725 C ASP A 49 0.390 -9.303 -8.439 1.00 0.00 C ATOM 726 O ASP A 49 1.332 -9.377 -9.202 1.00 0.00 O ATOM 727 CB ASP A 49 -0.869 -11.444 -8.805 1.00 0.00 C ATOM 728 CG ASP A 49 -2.207 -10.829 -9.215 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.353 -9.627 -9.074 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.065 -11.572 -9.663 1.00 0.00 O ATOM 0 H ASP A 49 -2.004 -9.669 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 49 0.624 -11.114 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.227 -11.557 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.027 -12.441 -8.395 1.00 0.00 H new ATOM 735 N VAL A 50 -0.167 -8.148 -8.158 1.00 0.00 N ATOM 736 CA VAL A 50 0.358 -6.895 -8.782 1.00 0.00 C ATOM 737 C VAL A 50 -0.021 -5.677 -7.916 1.00 0.00 C ATOM 738 O VAL A 50 -1.181 -5.428 -7.648 1.00 0.00 O ATOM 739 CB VAL A 50 -0.229 -6.754 -10.198 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.341 -5.276 -10.594 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.698 -7.459 -11.187 1.00 0.00 C ATOM 0 H VAL A 50 -0.958 -8.021 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 50 1.445 -6.943 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.223 -7.200 -10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.758 -5.199 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.993 -4.759 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.648 -4.819 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.293 -7.366 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.686 -7.001 -11.150 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.777 -8.514 -10.923 1.00 0.00 H new ATOM 751 N LEU A 51 0.949 -4.907 -7.493 1.00 0.00 N ATOM 752 CA LEU A 51 0.646 -3.697 -6.666 1.00 0.00 C ATOM 753 C LEU A 51 0.698 -2.471 -7.581 1.00 0.00 C ATOM 754 O LEU A 51 1.500 -2.409 -8.489 1.00 0.00 O ATOM 755 CB LEU A 51 1.702 -3.542 -5.558 1.00 0.00 C ATOM 756 CG LEU A 51 1.228 -4.178 -4.235 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.527 -3.138 -3.361 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.262 -5.330 -4.500 1.00 0.00 C ATOM 0 H LEU A 51 1.939 -5.063 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.338 -3.796 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.635 -4.009 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.913 -2.484 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 51 2.109 -4.558 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.199 -3.605 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.219 -2.327 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.338 -2.740 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.058 -5.762 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.608 -4.958 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.761 -6.094 -5.096 1.00 0.00 H new ATOM 770 N LEU A 52 -0.145 -1.499 -7.368 1.00 0.00 N ATOM 771 CA LEU A 52 -0.118 -0.298 -8.253 1.00 0.00 C ATOM 772 C LEU A 52 0.091 0.966 -7.416 1.00 0.00 C ATOM 773 O LEU A 52 -0.078 0.965 -6.213 1.00 0.00 O ATOM 774 CB LEU A 52 -1.446 -0.191 -9.008 1.00 0.00 C ATOM 775 CG LEU A 52 -1.903 -1.582 -9.464 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.993 -1.433 -10.525 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.723 -2.354 -10.061 1.00 0.00 C ATOM 0 H LEU A 52 -0.846 -1.482 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 52 0.703 -0.398 -8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.204 0.258 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.331 0.464 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.291 -2.129 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.320 -2.420 -10.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.840 -0.891 -10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.598 -0.881 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.058 -3.340 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.328 -1.809 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.058 -2.463 -9.309 1.00 0.00 H new ATOM 789 N SER A 53 0.458 2.046 -8.051 1.00 0.00 N ATOM 790 CA SER A 53 0.677 3.320 -7.309 1.00 0.00 C ATOM 791 C SER A 53 -0.029 4.458 -8.052 1.00 0.00 C ATOM 792 O SER A 53 0.309 4.782 -9.174 1.00 0.00 O ATOM 793 CB SER A 53 2.178 3.609 -7.228 1.00 0.00 C ATOM 794 OG SER A 53 2.397 4.709 -6.357 1.00 0.00 O ATOM 0 H SER A 53 0.616 2.101 -9.057 1.00 0.00 H new ATOM 0 HA SER A 53 0.273 3.236 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.710 2.730 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.571 3.832 -8.220 1.00 0.00 H new ATOM 0 HG SER A 53 3.271 4.615 -5.924 1.00 0.00 H new ATOM 800 N ASP A 54 -1.020 5.057 -7.444 1.00 0.00 N ATOM 801 CA ASP A 54 -1.756 6.161 -8.128 1.00 0.00 C ATOM 802 C ASP A 54 -0.807 7.318 -8.448 1.00 0.00 C ATOM 803 O ASP A 54 -1.043 8.082 -9.360 1.00 0.00 O ATOM 804 CB ASP A 54 -2.874 6.669 -7.217 1.00 0.00 C ATOM 805 CG ASP A 54 -4.144 5.854 -7.466 1.00 0.00 C ATOM 806 OD1 ASP A 54 -4.349 5.447 -8.598 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.888 5.651 -6.523 1.00 0.00 O ATOM 0 H ASP A 54 -1.351 4.830 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.176 5.777 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.574 6.584 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.063 7.725 -7.410 1.00 0.00 H new ATOM 812 N ILE A 55 0.255 7.461 -7.703 1.00 0.00 N ATOM 813 CA ILE A 55 1.205 8.581 -7.964 1.00 0.00 C ATOM 814 C ILE A 55 0.414 9.892 -8.071 1.00 0.00 C ATOM 815 O ILE A 55 -0.795 9.904 -7.958 1.00 0.00 O ATOM 816 CB ILE A 55 2.000 8.296 -9.259 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.427 8.830 -9.105 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.348 8.954 -10.484 1.00 0.00 C ATOM 819 CD1 ILE A 55 4.366 7.667 -8.773 1.00 0.00 C ATOM 0 H ILE A 55 0.506 6.851 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 55 1.919 8.672 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 55 2.008 7.217 -9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.746 9.320 -10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.464 9.580 -8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.937 8.730 -11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.337 8.566 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.307 10.033 -10.338 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.384 8.041 -8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.049 7.198 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.335 6.933 -9.578 1.00 0.00 H new ATOM 831 N ARG A 56 1.081 10.994 -8.277 1.00 0.00 N ATOM 832 CA ARG A 56 0.356 12.295 -8.382 1.00 0.00 C ATOM 833 C ARG A 56 -0.464 12.523 -7.110 1.00 0.00 C ATOM 834 O ARG A 56 -1.427 11.830 -6.851 1.00 0.00 O ATOM 835 CB ARG A 56 -0.585 12.267 -9.590 1.00 0.00 C ATOM 836 CG ARG A 56 -1.343 13.594 -9.676 1.00 0.00 C ATOM 837 CD ARG A 56 -2.715 13.448 -9.011 1.00 0.00 C ATOM 838 NE ARG A 56 -3.433 14.756 -9.056 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.325 15.529 -10.104 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.566 15.056 -11.295 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.981 16.781 -9.958 1.00 0.00 N ATOM 0 H ARG A 56 2.094 11.052 -8.377 1.00 0.00 H new ATOM 0 HA ARG A 56 1.079 13.101 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.016 12.101 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.288 11.439 -9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.772 14.382 -9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.463 13.889 -10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.299 12.683 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.597 13.121 -7.978 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.009 15.047 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.840 14.080 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.481 15.662 -12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.797 17.154 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.896 17.385 -10.775 1.00 0.00 H new ATOM 855 N MET A 57 -0.094 13.485 -6.312 1.00 0.00 N ATOM 856 CA MET A 57 -0.862 13.744 -5.061 1.00 0.00 C ATOM 857 C MET A 57 -0.634 15.186 -4.607 1.00 0.00 C ATOM 858 O MET A 57 0.033 15.952 -5.275 1.00 0.00 O ATOM 859 CB MET A 57 -0.387 12.785 -3.967 1.00 0.00 C ATOM 860 CG MET A 57 -1.360 11.610 -3.858 1.00 0.00 C ATOM 861 SD MET A 57 -0.511 10.188 -3.128 1.00 0.00 S ATOM 862 CE MET A 57 -0.089 9.358 -4.680 1.00 0.00 C ATOM 0 H MET A 57 0.703 14.101 -6.470 1.00 0.00 H new ATOM 0 HA MET A 57 -1.924 13.588 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.614 12.421 -4.198 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.324 13.308 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.217 11.889 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.745 11.350 -4.844 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.340 8.379 -4.464 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.989 9.235 -5.283 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.636 9.959 -5.229 1.00 0.00 H new ATOM 872 N PRO A 58 -1.197 15.506 -3.473 1.00 0.00 N ATOM 873 CA PRO A 58 -1.030 16.877 -2.946 1.00 0.00 C ATOM 874 C PRO A 58 -0.006 16.881 -1.808 1.00 0.00 C ATOM 875 O PRO A 58 -0.344 17.057 -0.654 1.00 0.00 O ATOM 876 CB PRO A 58 -2.417 17.263 -2.431 1.00 0.00 C ATOM 877 CG PRO A 58 -3.158 15.940 -2.156 1.00 0.00 C ATOM 878 CD PRO A 58 -2.437 14.858 -2.980 1.00 0.00 C ATOM 0 HA PRO A 58 -0.665 17.576 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.342 17.863 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.952 17.863 -3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.137 15.697 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.206 16.015 -2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.209 13.985 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.058 14.515 -3.808 1.00 0.00 H new ATOM 886 N GLY A 59 1.243 16.686 -2.128 1.00 0.00 N ATOM 887 CA GLY A 59 2.293 16.676 -1.068 1.00 0.00 C ATOM 888 C GLY A 59 3.662 16.939 -1.697 1.00 0.00 C ATOM 889 O GLY A 59 3.768 17.537 -2.749 1.00 0.00 O ATOM 0 H GLY A 59 1.583 16.533 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.074 17.437 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.296 15.714 -0.555 1.00 0.00 H new ATOM 893 N MET A 60 4.713 16.497 -1.060 1.00 0.00 N ATOM 894 CA MET A 60 6.075 16.723 -1.621 1.00 0.00 C ATOM 895 C MET A 60 6.374 15.665 -2.686 1.00 0.00 C ATOM 896 O MET A 60 6.254 14.480 -2.449 1.00 0.00 O ATOM 897 CB MET A 60 7.110 16.621 -0.499 1.00 0.00 C ATOM 898 CG MET A 60 8.166 17.715 -0.674 1.00 0.00 C ATOM 899 SD MET A 60 9.750 17.135 -0.016 1.00 0.00 S ATOM 900 CE MET A 60 10.817 18.040 -1.163 1.00 0.00 C ATOM 0 H MET A 60 4.687 15.989 -0.176 1.00 0.00 H new ATOM 0 HA MET A 60 6.121 17.714 -2.072 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.622 16.724 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.583 15.639 -0.515 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.270 17.970 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.855 18.622 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.861 17.825 -0.935 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.598 17.731 -2.185 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.636 19.110 -1.061 1.00 0.00 H new ATOM 910 N ASP A 61 6.767 16.085 -3.859 1.00 0.00 N ATOM 911 CA ASP A 61 7.076 15.103 -4.935 1.00 0.00 C ATOM 912 C ASP A 61 5.884 14.162 -5.127 1.00 0.00 C ATOM 913 O ASP A 61 4.975 14.443 -5.882 1.00 0.00 O ATOM 914 CB ASP A 61 8.313 14.292 -4.543 1.00 0.00 C ATOM 915 CG ASP A 61 9.553 14.899 -5.198 1.00 0.00 C ATOM 916 OD1 ASP A 61 9.680 14.779 -6.406 1.00 0.00 O ATOM 917 OD2 ASP A 61 10.357 15.473 -4.483 1.00 0.00 O ATOM 0 H ASP A 61 6.887 17.065 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 61 7.270 15.633 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.428 14.286 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.195 13.255 -4.857 1.00 0.00 H new ATOM 922 N GLY A 62 5.880 13.044 -4.450 1.00 0.00 N ATOM 923 CA GLY A 62 4.746 12.089 -4.598 1.00 0.00 C ATOM 924 C GLY A 62 4.058 11.890 -3.246 1.00 0.00 C ATOM 925 O GLY A 62 3.418 12.783 -2.726 1.00 0.00 O ATOM 0 H GLY A 62 6.612 12.752 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.031 12.469 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.110 11.133 -4.976 1.00 0.00 H new ATOM 929 N LEU A 63 4.179 10.723 -2.674 1.00 0.00 N ATOM 930 CA LEU A 63 3.527 10.468 -1.358 1.00 0.00 C ATOM 931 C LEU A 63 4.577 10.004 -0.344 1.00 0.00 C ATOM 932 O LEU A 63 4.300 9.864 0.830 1.00 0.00 O ATOM 933 CB LEU A 63 2.459 9.383 -1.525 1.00 0.00 C ATOM 934 CG LEU A 63 1.370 9.560 -0.465 1.00 0.00 C ATOM 935 CD1 LEU A 63 0.819 10.986 -0.526 1.00 0.00 C ATOM 936 CD2 LEU A 63 0.239 8.566 -0.731 1.00 0.00 C ATOM 0 H LEU A 63 4.700 9.936 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 63 3.062 11.386 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.022 9.441 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.912 8.396 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 63 1.793 9.379 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.044 11.109 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.625 11.696 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.396 11.171 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.539 8.690 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.181 8.749 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.630 7.549 -0.686 1.00 0.00 H new ATOM 948 N ALA A 64 5.783 9.770 -0.787 1.00 0.00 N ATOM 949 CA ALA A 64 6.850 9.322 0.154 1.00 0.00 C ATOM 950 C ALA A 64 6.614 7.860 0.547 1.00 0.00 C ATOM 951 O ALA A 64 6.601 7.516 1.712 1.00 0.00 O ATOM 952 CB ALA A 64 6.822 10.197 1.410 1.00 0.00 C ATOM 0 H ALA A 64 6.075 9.870 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 64 7.821 9.412 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.601 9.870 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.995 11.237 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.850 10.108 1.894 1.00 0.00 H new ATOM 958 N LEU A 65 6.421 6.998 -0.415 1.00 0.00 N ATOM 959 CA LEU A 65 6.182 5.561 -0.088 1.00 0.00 C ATOM 960 C LEU A 65 6.424 4.690 -1.329 1.00 0.00 C ATOM 961 O LEU A 65 6.017 3.543 -1.383 1.00 0.00 O ATOM 962 CB LEU A 65 4.738 5.371 0.400 1.00 0.00 C ATOM 963 CG LEU A 65 3.820 6.452 -0.182 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.341 6.021 -1.567 1.00 0.00 C ATOM 965 CD2 LEU A 65 2.609 6.631 0.739 1.00 0.00 C ATOM 0 H LEU A 65 6.418 7.225 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 65 6.873 5.260 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.377 4.385 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.709 5.411 1.489 1.00 0.00 H new ATOM 0 HG LEU A 65 4.366 7.392 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.688 6.789 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.201 5.883 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.792 5.083 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.952 7.399 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.065 5.689 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.947 6.933 1.730 1.00 0.00 H new ATOM 977 N LEU A 66 7.097 5.214 -2.320 1.00 0.00 N ATOM 978 CA LEU A 66 7.371 4.406 -3.540 1.00 0.00 C ATOM 979 C LEU A 66 8.391 3.323 -3.195 1.00 0.00 C ATOM 980 O LEU A 66 8.082 2.149 -3.184 1.00 0.00 O ATOM 981 CB LEU A 66 7.930 5.312 -4.639 1.00 0.00 C ATOM 982 CG LEU A 66 6.776 6.010 -5.359 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.947 4.976 -6.124 1.00 0.00 C ATOM 984 CD2 LEU A 66 5.887 6.714 -4.332 1.00 0.00 C ATOM 0 H LEU A 66 7.467 6.164 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 66 6.450 3.944 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.604 6.052 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.513 4.724 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 66 7.177 6.743 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.125 5.476 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.579 4.473 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.546 4.242 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.064 7.212 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.488 5.980 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.475 7.452 -3.787 1.00 0.00 H new ATOM 996 N LYS A 67 9.603 3.708 -2.899 1.00 0.00 N ATOM 997 CA LYS A 67 10.630 2.694 -2.542 1.00 0.00 C ATOM 998 C LYS A 67 10.040 1.752 -1.493 1.00 0.00 C ATOM 999 O LYS A 67 10.403 0.595 -1.403 1.00 0.00 O ATOM 1000 CB LYS A 67 11.873 3.391 -1.980 1.00 0.00 C ATOM 1001 CG LYS A 67 11.449 4.495 -1.012 1.00 0.00 C ATOM 1002 CD LYS A 67 11.748 5.861 -1.632 1.00 0.00 C ATOM 1003 CE LYS A 67 12.490 6.732 -0.618 1.00 0.00 C ATOM 1004 NZ LYS A 67 13.628 5.961 -0.042 1.00 0.00 N ATOM 0 H LYS A 67 9.923 4.676 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 67 10.919 2.127 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.507 2.668 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.464 3.813 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.385 4.410 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.981 4.389 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.351 5.739 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.820 6.346 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.857 7.638 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.811 7.046 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.432 6.600 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.336 5.532 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.911 5.212 -0.706 1.00 0.00 H new ATOM 1018 N GLN A 68 9.113 2.237 -0.709 1.00 0.00 N ATOM 1019 CA GLN A 68 8.473 1.375 0.324 1.00 0.00 C ATOM 1020 C GLN A 68 7.865 0.161 -0.381 1.00 0.00 C ATOM 1021 O GLN A 68 8.121 -0.969 -0.020 1.00 0.00 O ATOM 1022 CB GLN A 68 7.398 2.211 1.062 1.00 0.00 C ATOM 1023 CG GLN A 68 6.103 1.420 1.300 1.00 0.00 C ATOM 1024 CD GLN A 68 4.949 2.404 1.465 1.00 0.00 C ATOM 1025 OE1 GLN A 68 3.961 2.370 0.617 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 4.948 3.214 2.371 1.00 0.00 N flip ATOM 0 H GLN A 68 8.771 3.198 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 68 9.193 1.022 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.797 2.547 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.173 3.104 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.911 0.750 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.199 0.798 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.723 3.239 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.172 3.869 2.469 1.00 0.00 H new ATOM 1035 N ILE A 69 7.048 0.402 -1.375 1.00 0.00 N ATOM 1036 CA ILE A 69 6.392 -0.714 -2.125 1.00 0.00 C ATOM 1037 C ILE A 69 7.327 -1.932 -2.201 1.00 0.00 C ATOM 1038 O ILE A 69 6.884 -3.063 -2.213 1.00 0.00 O ATOM 1039 CB ILE A 69 6.033 -0.199 -3.538 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.511 -0.129 -3.668 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.587 -1.119 -4.635 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.078 1.331 -3.807 1.00 0.00 C ATOM 0 H ILE A 69 6.804 1.336 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 69 5.485 -1.033 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 69 6.480 0.787 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.183 -0.701 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.040 -0.578 -2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.314 -0.724 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.673 -1.169 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.168 -2.118 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.993 1.382 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.393 1.889 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.539 1.764 -4.695 1.00 0.00 H new ATOM 1054 N LYS A 70 8.612 -1.712 -2.262 1.00 0.00 N ATOM 1055 CA LYS A 70 9.556 -2.861 -2.349 1.00 0.00 C ATOM 1056 C LYS A 70 10.139 -3.164 -0.965 1.00 0.00 C ATOM 1057 O LYS A 70 9.919 -4.223 -0.412 1.00 0.00 O ATOM 1058 CB LYS A 70 10.690 -2.515 -3.319 1.00 0.00 C ATOM 1059 CG LYS A 70 10.190 -2.647 -4.760 1.00 0.00 C ATOM 1060 CD LYS A 70 10.800 -3.895 -5.404 1.00 0.00 C ATOM 1061 CE LYS A 70 11.822 -3.474 -6.463 1.00 0.00 C ATOM 1062 NZ LYS A 70 12.567 -4.672 -6.945 1.00 0.00 N ATOM 0 H LYS A 70 9.047 -0.790 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 70 9.021 -3.739 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.041 -1.499 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.538 -3.180 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.102 -2.714 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.462 -1.760 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.280 -4.512 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.017 -4.502 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.316 -2.988 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.516 -2.746 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.489 -4.377 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.714 -5.331 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.019 -5.145 -7.692 1.00 0.00 H new ATOM 1076 N GLN A 71 10.900 -2.247 -0.422 1.00 0.00 N ATOM 1077 CA GLN A 71 11.531 -2.462 0.919 1.00 0.00 C ATOM 1078 C GLN A 71 10.624 -3.308 1.821 1.00 0.00 C ATOM 1079 O GLN A 71 11.093 -4.079 2.635 1.00 0.00 O ATOM 1080 CB GLN A 71 11.774 -1.105 1.584 1.00 0.00 C ATOM 1081 CG GLN A 71 12.676 -1.293 2.807 1.00 0.00 C ATOM 1082 CD GLN A 71 13.735 -0.190 2.841 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.552 0.863 2.264 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.842 -0.388 3.502 1.00 0.00 N ATOM 0 H GLN A 71 11.114 -1.348 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 71 12.474 -2.990 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.240 -0.419 0.877 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.825 -0.659 1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.079 -1.266 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.156 -2.271 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.995 -1.272 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.554 0.342 3.534 1.00 0.00 H new ATOM 1093 N ARG A 72 9.333 -3.169 1.689 1.00 0.00 N ATOM 1094 CA ARG A 72 8.409 -3.965 2.546 1.00 0.00 C ATOM 1095 C ARG A 72 8.025 -5.264 1.831 1.00 0.00 C ATOM 1096 O ARG A 72 8.401 -6.343 2.244 1.00 0.00 O ATOM 1097 CB ARG A 72 7.146 -3.148 2.831 1.00 0.00 C ATOM 1098 CG ARG A 72 7.039 -2.883 4.335 1.00 0.00 C ATOM 1099 CD ARG A 72 7.734 -1.564 4.674 1.00 0.00 C ATOM 1100 NE ARG A 72 6.712 -0.533 5.008 1.00 0.00 N ATOM 1101 CZ ARG A 72 6.961 0.356 5.929 1.00 0.00 C ATOM 1102 NH1 ARG A 72 7.131 -0.021 7.169 1.00 0.00 N ATOM 1103 NH2 ARG A 72 7.041 1.619 5.613 1.00 0.00 N ATOM 0 H ARG A 72 8.879 -2.540 1.026 1.00 0.00 H new ATOM 0 HA ARG A 72 8.909 -4.206 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.179 -2.205 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.265 -3.687 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.992 -2.841 4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.497 -3.701 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.412 -1.704 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.338 -1.232 3.830 1.00 0.00 H new ATOM 0 HE ARG A 72 5.818 -0.522 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.069 -1.009 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.326 0.673 7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.909 1.912 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.236 2.314 6.334 1.00 0.00 H new ATOM 1117 N HIS A 73 7.274 -5.171 0.768 1.00 0.00 N ATOM 1118 CA HIS A 73 6.864 -6.403 0.037 1.00 0.00 C ATOM 1119 C HIS A 73 7.252 -6.262 -1.447 1.00 0.00 C ATOM 1120 O HIS A 73 6.693 -5.448 -2.155 1.00 0.00 O ATOM 1121 CB HIS A 73 5.344 -6.599 0.211 1.00 0.00 C ATOM 1122 CG HIS A 73 4.634 -6.580 -1.116 1.00 0.00 C ATOM 1123 ND1 HIS A 73 4.916 -7.494 -2.115 1.00 0.00 N ATOM 1124 CD2 HIS A 73 3.658 -5.760 -1.619 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.122 -7.206 -3.161 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.335 -6.156 -2.911 1.00 0.00 N ATOM 0 H HIS A 73 6.927 -4.296 0.375 1.00 0.00 H new ATOM 0 HA HIS A 73 7.372 -7.281 0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.153 -7.547 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.945 -5.812 0.851 1.00 0.00 H new ATOM 0 HD1 HIS A 73 5.601 -8.248 -2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.208 -4.932 -1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.121 -7.756 -4.090 1.00 0.00 H new ATOM 1134 N PRO A 74 8.204 -7.062 -1.869 1.00 0.00 N ATOM 1135 CA PRO A 74 8.616 -6.964 -3.288 1.00 0.00 C ATOM 1136 C PRO A 74 8.736 -8.350 -3.930 1.00 0.00 C ATOM 1137 O PRO A 74 9.803 -8.926 -3.992 1.00 0.00 O ATOM 1138 CB PRO A 74 9.985 -6.286 -3.241 1.00 0.00 C ATOM 1139 CG PRO A 74 10.554 -6.557 -1.834 1.00 0.00 C ATOM 1140 CD PRO A 74 9.362 -6.950 -0.944 1.00 0.00 C ATOM 0 HA PRO A 74 7.889 -6.413 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.644 -6.687 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.895 -5.215 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.295 -7.356 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.055 -5.672 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.548 -7.893 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.180 -6.199 -0.175 1.00 0.00 H new ATOM 1148 N MET A 75 7.649 -8.883 -4.417 1.00 0.00 N ATOM 1149 CA MET A 75 7.701 -10.224 -5.067 1.00 0.00 C ATOM 1150 C MET A 75 6.986 -10.175 -6.425 1.00 0.00 C ATOM 1151 O MET A 75 7.130 -11.061 -7.244 1.00 0.00 O ATOM 1152 CB MET A 75 7.014 -11.248 -4.165 1.00 0.00 C ATOM 1153 CG MET A 75 7.904 -11.545 -2.959 1.00 0.00 C ATOM 1154 SD MET A 75 8.316 -13.309 -2.929 1.00 0.00 S ATOM 1155 CE MET A 75 7.316 -13.751 -1.487 1.00 0.00 C ATOM 0 H MET A 75 6.727 -8.448 -4.393 1.00 0.00 H new ATOM 0 HA MET A 75 8.741 -10.510 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.049 -10.866 -3.833 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.819 -12.165 -4.721 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.815 -10.949 -3.011 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.392 -11.265 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.643 -14.716 -1.100 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.435 -12.991 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.267 -13.812 -1.777 1.00 0.00 H new ATOM 1165 N LEU A 76 6.216 -9.146 -6.671 1.00 0.00 N ATOM 1166 CA LEU A 76 5.492 -9.037 -7.969 1.00 0.00 C ATOM 1167 C LEU A 76 5.727 -7.630 -8.543 1.00 0.00 C ATOM 1168 O LEU A 76 6.237 -6.768 -7.854 1.00 0.00 O ATOM 1169 CB LEU A 76 4.001 -9.290 -7.721 1.00 0.00 C ATOM 1170 CG LEU A 76 3.505 -8.388 -6.595 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.317 -6.975 -7.135 1.00 0.00 C ATOM 1172 CD2 LEU A 76 2.167 -8.915 -6.073 1.00 0.00 C ATOM 0 H LEU A 76 6.058 -8.374 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 76 5.855 -9.773 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.433 -9.097 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.838 -10.336 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 76 4.232 -8.379 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.962 -6.324 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.268 -6.600 -7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.586 -6.989 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.811 -8.271 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.437 -8.920 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.298 -9.929 -5.696 1.00 0.00 H new ATOM 1184 N PRO A 77 5.384 -7.440 -9.796 1.00 0.00 N ATOM 1185 CA PRO A 77 5.634 -6.102 -10.392 1.00 0.00 C ATOM 1186 C PRO A 77 4.773 -5.026 -9.722 1.00 0.00 C ATOM 1187 O PRO A 77 3.767 -5.308 -9.104 1.00 0.00 O ATOM 1188 CB PRO A 77 5.254 -6.255 -11.863 1.00 0.00 C ATOM 1189 CG PRO A 77 4.282 -7.443 -11.934 1.00 0.00 C ATOM 1190 CD PRO A 77 4.497 -8.267 -10.656 1.00 0.00 C ATOM 0 HA PRO A 77 6.669 -5.787 -10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.786 -5.346 -12.241 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.137 -6.437 -12.476 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.251 -7.096 -12.002 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.474 -8.047 -12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.550 -8.474 -10.158 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.956 -9.230 -10.882 1.00 0.00 H new ATOM 1198 N VAL A 78 5.165 -3.787 -9.844 1.00 0.00 N ATOM 1199 CA VAL A 78 4.374 -2.689 -9.216 1.00 0.00 C ATOM 1200 C VAL A 78 4.038 -1.637 -10.275 1.00 0.00 C ATOM 1201 O VAL A 78 4.859 -0.814 -10.633 1.00 0.00 O ATOM 1202 CB VAL A 78 5.179 -2.031 -8.085 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.308 -1.936 -6.829 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.430 -2.861 -7.770 1.00 0.00 C ATOM 0 H VAL A 78 5.998 -3.487 -10.351 1.00 0.00 H new ATOM 0 HA VAL A 78 3.456 -3.107 -8.802 1.00 0.00 H new ATOM 0 HB VAL A 78 5.484 -1.034 -8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.878 -1.469 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.424 -1.335 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.001 -2.936 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.991 -2.383 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.133 -3.863 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.056 -2.928 -8.660 1.00 0.00 H new ATOM 1214 N ILE A 79 2.836 -1.655 -10.779 1.00 0.00 N ATOM 1215 CA ILE A 79 2.443 -0.660 -11.812 1.00 0.00 C ATOM 1216 C ILE A 79 2.456 0.743 -11.189 1.00 0.00 C ATOM 1217 O ILE A 79 2.358 0.899 -9.987 1.00 0.00 O ATOM 1218 CB ILE A 79 1.043 -1.025 -12.349 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.038 -0.891 -13.872 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.041 -0.116 -11.757 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.799 -2.264 -14.502 1.00 0.00 C ATOM 0 H ILE A 79 2.107 -2.319 -10.518 1.00 0.00 H new ATOM 0 HA ILE A 79 3.146 -0.669 -12.645 1.00 0.00 H new ATOM 0 HB ILE A 79 0.822 -2.051 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.260 -0.195 -14.184 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.988 -0.482 -14.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.014 -0.402 -12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.050 -0.220 -10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.170 0.921 -12.020 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.795 -2.170 -15.588 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.593 -2.946 -14.199 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.162 -2.655 -14.168 1.00 0.00 H new ATOM 1233 N ILE A 80 2.575 1.761 -11.994 1.00 0.00 N ATOM 1234 CA ILE A 80 2.594 3.143 -11.441 1.00 0.00 C ATOM 1235 C ILE A 80 2.173 4.133 -12.526 1.00 0.00 C ATOM 1236 O ILE A 80 2.814 4.255 -13.552 1.00 0.00 O ATOM 1237 CB ILE A 80 4.008 3.478 -10.961 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.990 3.346 -12.130 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.410 2.509 -9.849 1.00 0.00 C ATOM 1240 CD1 ILE A 80 6.425 3.380 -11.601 1.00 0.00 C ATOM 0 H ILE A 80 2.660 1.696 -13.008 1.00 0.00 H new ATOM 0 HA ILE A 80 1.900 3.210 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 80 4.030 4.499 -10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.811 2.413 -12.665 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.835 4.157 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.417 2.746 -9.506 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.712 2.601 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.388 1.488 -10.230 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.122 3.286 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.601 4.324 -11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.576 2.554 -10.906 1.00 0.00 H new ATOM 1252 N MET A 81 1.099 4.843 -12.309 1.00 0.00 N ATOM 1253 CA MET A 81 0.639 5.825 -13.330 1.00 0.00 C ATOM 1254 C MET A 81 1.733 6.869 -13.560 1.00 0.00 C ATOM 1255 O MET A 81 2.366 7.334 -12.633 1.00 0.00 O ATOM 1256 CB MET A 81 -0.637 6.512 -12.838 1.00 0.00 C ATOM 1257 CG MET A 81 -1.857 5.799 -13.426 1.00 0.00 C ATOM 1258 SD MET A 81 -2.727 4.905 -12.113 1.00 0.00 S ATOM 1259 CE MET A 81 -2.215 3.237 -12.596 1.00 0.00 C ATOM 0 H MET A 81 0.522 4.785 -11.470 1.00 0.00 H new ATOM 0 HA MET A 81 0.431 5.309 -14.267 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.679 6.489 -11.749 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.636 7.561 -13.135 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.525 6.523 -13.891 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.545 5.106 -14.207 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.646 2.510 -11.908 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.562 3.029 -13.608 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.128 3.166 -12.564 1.00 0.00 H new ATOM 1269 N THR A 82 1.962 7.235 -14.792 1.00 0.00 N ATOM 1270 CA THR A 82 3.019 8.244 -15.090 1.00 0.00 C ATOM 1271 C THR A 82 2.520 9.641 -14.709 1.00 0.00 C ATOM 1272 O THR A 82 1.513 10.106 -15.206 1.00 0.00 O ATOM 1273 CB THR A 82 3.344 8.209 -16.587 1.00 0.00 C ATOM 1274 OG1 THR A 82 4.057 7.017 -16.884 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.197 9.423 -16.959 1.00 0.00 C ATOM 0 H THR A 82 1.462 6.878 -15.606 1.00 0.00 H new ATOM 0 HA THR A 82 3.915 8.012 -14.514 1.00 0.00 H new ATOM 0 HB THR A 82 2.417 8.234 -17.161 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.265 6.990 -17.841 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.426 9.394 -18.024 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.649 10.337 -16.730 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.125 9.404 -16.388 1.00 0.00 H new ATOM 1283 N ALA A 83 3.218 10.313 -13.835 1.00 0.00 N ATOM 1284 CA ALA A 83 2.782 11.680 -13.430 1.00 0.00 C ATOM 1285 C ALA A 83 3.867 12.336 -12.570 1.00 0.00 C ATOM 1286 O ALA A 83 3.580 13.000 -11.594 1.00 0.00 O ATOM 1287 CB ALA A 83 1.481 11.585 -12.630 1.00 0.00 C ATOM 0 H ALA A 83 4.069 9.976 -13.385 1.00 0.00 H new ATOM 0 HA ALA A 83 2.617 12.285 -14.322 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.162 12.584 -12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.708 11.125 -13.246 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.645 10.978 -11.740 1.00 0.00 H new ATOM 1293 N HIS A 84 5.110 12.163 -12.934 1.00 0.00 N ATOM 1294 CA HIS A 84 6.219 12.787 -12.151 1.00 0.00 C ATOM 1295 C HIS A 84 6.328 12.138 -10.767 1.00 0.00 C ATOM 1296 O HIS A 84 5.481 12.329 -9.919 1.00 0.00 O ATOM 1297 CB HIS A 84 5.940 14.281 -11.983 1.00 0.00 C ATOM 1298 CG HIS A 84 6.823 15.068 -12.914 1.00 0.00 C ATOM 1299 ND1 HIS A 84 8.206 15.049 -12.815 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.533 15.905 -13.963 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.691 15.853 -13.779 1.00 0.00 C ATOM 1302 NE2 HIS A 84 7.715 16.400 -14.508 1.00 0.00 N ATOM 0 H HIS A 84 5.407 11.615 -13.742 1.00 0.00 H new ATOM 0 HA HIS A 84 7.156 12.638 -12.688 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.892 14.491 -12.195 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.123 14.582 -10.951 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.539 16.143 -14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.743 16.034 -13.943 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.814 17.042 -15.294 1.00 0.00 H new ATOM 1310 N SER A 85 7.379 11.390 -10.537 1.00 0.00 N ATOM 1311 CA SER A 85 7.579 10.731 -9.208 1.00 0.00 C ATOM 1312 C SER A 85 8.494 9.517 -9.378 1.00 0.00 C ATOM 1313 O SER A 85 9.643 9.532 -8.983 1.00 0.00 O ATOM 1314 CB SER A 85 6.241 10.266 -8.631 1.00 0.00 C ATOM 1315 OG SER A 85 6.487 9.375 -7.551 1.00 0.00 O ATOM 0 H SER A 85 8.114 11.206 -11.220 1.00 0.00 H new ATOM 0 HA SER A 85 8.029 11.452 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.661 11.123 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.651 9.770 -9.401 1.00 0.00 H new ATOM 0 HG SER A 85 5.667 9.262 -7.027 1.00 0.00 H new ATOM 1321 N ASP A 86 7.987 8.464 -9.959 1.00 0.00 N ATOM 1322 CA ASP A 86 8.818 7.241 -10.152 1.00 0.00 C ATOM 1323 C ASP A 86 10.176 7.618 -10.752 1.00 0.00 C ATOM 1324 O ASP A 86 11.155 6.937 -10.553 1.00 0.00 O ATOM 1325 CB ASP A 86 8.096 6.281 -11.102 1.00 0.00 C ATOM 1326 CG ASP A 86 8.106 6.863 -12.516 1.00 0.00 C ATOM 1327 OD1 ASP A 86 9.179 6.959 -13.088 1.00 0.00 O ATOM 1328 OD2 ASP A 86 7.040 7.204 -13.004 1.00 0.00 O ATOM 0 H ASP A 86 7.031 8.398 -10.309 1.00 0.00 H new ATOM 0 HA ASP A 86 8.974 6.760 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.586 5.307 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.070 6.125 -10.768 1.00 0.00 H new ATOM 1333 N LEU A 87 10.231 8.679 -11.510 1.00 0.00 N ATOM 1334 CA LEU A 87 11.519 9.088 -12.149 1.00 0.00 C ATOM 1335 C LEU A 87 12.713 8.806 -11.223 1.00 0.00 C ATOM 1336 O LEU A 87 13.814 8.573 -11.678 1.00 0.00 O ATOM 1337 CB LEU A 87 11.469 10.585 -12.457 1.00 0.00 C ATOM 1338 CG LEU A 87 11.616 10.792 -13.964 1.00 0.00 C ATOM 1339 CD1 LEU A 87 12.993 10.303 -14.415 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.533 9.993 -14.693 1.00 0.00 C ATOM 0 H LEU A 87 9.437 9.284 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 87 11.649 8.511 -13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.527 11.009 -12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.267 11.105 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 87 11.511 11.852 -14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.098 10.451 -15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.768 10.866 -13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.097 9.243 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.635 10.139 -15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.642 8.934 -14.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.550 10.336 -14.372 1.00 0.00 H new ATOM 1352 N ASP A 88 12.510 8.838 -9.932 1.00 0.00 N ATOM 1353 CA ASP A 88 13.648 8.584 -8.997 1.00 0.00 C ATOM 1354 C ASP A 88 13.502 7.207 -8.333 1.00 0.00 C ATOM 1355 O ASP A 88 14.145 6.254 -8.726 1.00 0.00 O ATOM 1356 CB ASP A 88 13.670 9.672 -7.919 1.00 0.00 C ATOM 1357 CG ASP A 88 13.874 11.038 -8.577 1.00 0.00 C ATOM 1358 OD1 ASP A 88 14.074 11.072 -9.779 1.00 0.00 O ATOM 1359 OD2 ASP A 88 13.828 12.029 -7.865 1.00 0.00 O ATOM 0 H ASP A 88 11.612 9.028 -9.486 1.00 0.00 H new ATOM 0 HA ASP A 88 14.580 8.602 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.735 9.662 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.471 9.477 -7.206 1.00 0.00 H new ATOM 1364 N ALA A 89 12.676 7.103 -7.320 1.00 0.00 N ATOM 1365 CA ALA A 89 12.493 5.794 -6.611 1.00 0.00 C ATOM 1366 C ALA A 89 12.553 4.635 -7.609 1.00 0.00 C ATOM 1367 O ALA A 89 12.969 3.542 -7.283 1.00 0.00 O ATOM 1368 CB ALA A 89 11.135 5.785 -5.906 1.00 0.00 C ATOM 0 H ALA A 89 12.117 7.872 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 89 13.293 5.673 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.999 4.835 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.095 6.600 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.342 5.914 -6.642 1.00 0.00 H new ATOM 1374 N ALA A 90 12.145 4.868 -8.823 1.00 0.00 N ATOM 1375 CA ALA A 90 12.180 3.788 -9.849 1.00 0.00 C ATOM 1376 C ALA A 90 13.626 3.555 -10.297 1.00 0.00 C ATOM 1377 O ALA A 90 14.270 2.619 -9.868 1.00 0.00 O ATOM 1378 CB ALA A 90 11.335 4.204 -11.057 1.00 0.00 C ATOM 0 H ALA A 90 11.787 5.764 -9.152 1.00 0.00 H new ATOM 0 HA ALA A 90 11.778 2.869 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.360 3.414 -11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.305 4.371 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.737 5.123 -11.483 1.00 0.00 H new ATOM 1384 N VAL A 91 14.126 4.399 -11.166 1.00 0.00 N ATOM 1385 CA VAL A 91 15.525 4.248 -11.672 1.00 0.00 C ATOM 1386 C VAL A 91 16.433 3.676 -10.581 1.00 0.00 C ATOM 1387 O VAL A 91 17.260 2.820 -10.832 1.00 0.00 O ATOM 1388 CB VAL A 91 16.050 5.623 -12.091 1.00 0.00 C ATOM 1389 CG1 VAL A 91 17.501 5.497 -12.555 1.00 0.00 C ATOM 1390 CG2 VAL A 91 15.192 6.167 -13.236 1.00 0.00 C ATOM 0 H VAL A 91 13.618 5.195 -11.550 1.00 0.00 H new ATOM 0 HA VAL A 91 15.524 3.565 -12.521 1.00 0.00 H new ATOM 0 HB VAL A 91 16.000 6.305 -11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.874 6.477 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.111 5.109 -11.739 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.554 4.815 -13.404 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.564 7.147 -13.536 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.242 5.484 -14.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.158 6.258 -12.904 1.00 0.00 H new ATOM 1400 N SER A 92 16.287 4.139 -9.371 1.00 0.00 N ATOM 1401 CA SER A 92 17.139 3.623 -8.266 1.00 0.00 C ATOM 1402 C SER A 92 16.267 2.860 -7.265 1.00 0.00 C ATOM 1403 O SER A 92 15.098 2.628 -7.498 1.00 0.00 O ATOM 1404 CB SER A 92 17.822 4.795 -7.560 1.00 0.00 C ATOM 1405 OG SER A 92 19.232 4.616 -7.607 1.00 0.00 O ATOM 0 H SER A 92 15.612 4.854 -9.100 1.00 0.00 H new ATOM 0 HA SER A 92 17.897 2.953 -8.672 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.547 5.734 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.486 4.856 -6.525 1.00 0.00 H new ATOM 0 HG SER A 92 19.672 5.367 -7.157 1.00 0.00 H new ATOM 1411 N ALA A 93 16.823 2.471 -6.152 1.00 0.00 N ATOM 1412 CA ALA A 93 16.021 1.728 -5.139 1.00 0.00 C ATOM 1413 C ALA A 93 15.709 0.320 -5.656 1.00 0.00 C ATOM 1414 O ALA A 93 14.576 -0.007 -5.945 1.00 0.00 O ATOM 1415 CB ALA A 93 14.711 2.474 -4.882 1.00 0.00 C ATOM 0 H ALA A 93 17.798 2.635 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 93 16.591 1.655 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.123 1.932 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.929 3.475 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.146 2.547 -5.811 1.00 0.00 H new ATOM 1421 N TYR A 94 16.705 -0.517 -5.770 1.00 0.00 N ATOM 1422 CA TYR A 94 16.461 -1.902 -6.263 1.00 0.00 C ATOM 1423 C TYR A 94 15.591 -1.858 -7.521 1.00 0.00 C ATOM 1424 O TYR A 94 14.465 -2.316 -7.526 1.00 0.00 O ATOM 1425 CB TYR A 94 15.746 -2.711 -5.179 1.00 0.00 C ATOM 1426 CG TYR A 94 16.527 -3.970 -4.897 1.00 0.00 C ATOM 1427 CD1 TYR A 94 17.711 -3.905 -4.155 1.00 0.00 C ATOM 1428 CD2 TYR A 94 16.069 -5.201 -5.379 1.00 0.00 C ATOM 1429 CE1 TYR A 94 18.438 -5.071 -3.893 1.00 0.00 C ATOM 1430 CE2 TYR A 94 16.796 -6.368 -5.119 1.00 0.00 C ATOM 1431 CZ TYR A 94 17.982 -6.302 -4.375 1.00 0.00 C ATOM 1432 OH TYR A 94 18.699 -7.452 -4.118 1.00 0.00 O ATOM 0 H TYR A 94 17.676 -0.301 -5.543 1.00 0.00 H new ATOM 0 HA TYR A 94 17.415 -2.372 -6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 94 15.651 -2.117 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.736 -2.961 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.064 -2.954 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.155 -5.251 -5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.351 -5.021 -3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.444 -7.319 -5.491 1.00 0.00 H new ATOM 0 HH TYR A 94 18.243 -8.219 -4.523 1.00 0.00 H new ATOM 1442 N GLN A 95 16.103 -1.309 -8.588 1.00 0.00 N ATOM 1443 CA GLN A 95 15.307 -1.236 -9.845 1.00 0.00 C ATOM 1444 C GLN A 95 15.235 -2.632 -10.483 1.00 0.00 C ATOM 1445 O GLN A 95 14.832 -3.584 -9.846 1.00 0.00 O ATOM 1446 CB GLN A 95 15.976 -0.245 -10.802 1.00 0.00 C ATOM 1447 CG GLN A 95 17.431 -0.657 -11.027 1.00 0.00 C ATOM 1448 CD GLN A 95 17.964 0.014 -12.294 1.00 0.00 C ATOM 1449 OE1 GLN A 95 17.245 -0.012 -13.383 1.00 0.00 O flip ATOM 1450 NE2 GLN A 95 19.045 0.569 -12.293 1.00 0.00 N flip ATOM 0 H GLN A 95 17.039 -0.908 -8.643 1.00 0.00 H new ATOM 0 HA GLN A 95 14.294 -0.896 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.442 -0.223 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 95 15.932 0.763 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.038 -0.370 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.503 -1.741 -11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 95 19.607 0.589 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 95 19.390 1.014 -13.143 1.00 0.00 H new ATOM 1459 N GLN A 96 15.618 -2.770 -11.730 1.00 0.00 N ATOM 1460 CA GLN A 96 15.561 -4.110 -12.382 1.00 0.00 C ATOM 1461 C GLN A 96 14.115 -4.434 -12.760 1.00 0.00 C ATOM 1462 O GLN A 96 13.493 -5.305 -12.185 1.00 0.00 O ATOM 1463 CB GLN A 96 16.085 -5.176 -11.416 1.00 0.00 C ATOM 1464 CG GLN A 96 16.512 -6.416 -12.204 1.00 0.00 C ATOM 1465 CD GLN A 96 18.014 -6.345 -12.489 1.00 0.00 C ATOM 1466 OE1 GLN A 96 18.519 -5.316 -12.893 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.753 -7.403 -12.295 1.00 0.00 N ATOM 0 H GLN A 96 15.966 -2.014 -12.320 1.00 0.00 H new ATOM 0 HA GLN A 96 16.179 -4.100 -13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.929 -4.784 -10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.312 -5.439 -10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.280 -7.318 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.956 -6.475 -13.139 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.329 -8.266 -11.956 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.755 -7.367 -12.482 1.00 0.00 H new ATOM 1476 N GLY A 97 13.572 -3.738 -13.721 1.00 0.00 N ATOM 1477 CA GLY A 97 12.166 -4.007 -14.132 1.00 0.00 C ATOM 1478 C GLY A 97 11.277 -4.062 -12.889 1.00 0.00 C ATOM 1479 O GLY A 97 11.616 -3.536 -11.849 1.00 0.00 O ATOM 0 H GLY A 97 14.041 -2.995 -14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.817 -3.227 -14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.108 -4.950 -14.676 1.00 0.00 H new ATOM 1483 N ALA A 98 10.141 -4.695 -12.988 1.00 0.00 N ATOM 1484 CA ALA A 98 9.237 -4.780 -11.809 1.00 0.00 C ATOM 1485 C ALA A 98 8.686 -3.389 -11.487 1.00 0.00 C ATOM 1486 O ALA A 98 8.237 -3.127 -10.389 1.00 0.00 O ATOM 1487 CB ALA A 98 10.021 -5.309 -10.606 1.00 0.00 C ATOM 0 H ALA A 98 9.801 -5.156 -13.832 1.00 0.00 H new ATOM 0 HA ALA A 98 8.410 -5.455 -12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.361 -5.372 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.415 -6.299 -10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.847 -4.633 -10.384 1.00 0.00 H new ATOM 1493 N PHE A 99 8.718 -2.492 -12.437 1.00 0.00 N ATOM 1494 CA PHE A 99 8.198 -1.118 -12.182 1.00 0.00 C ATOM 1495 C PHE A 99 7.684 -0.508 -13.489 1.00 0.00 C ATOM 1496 O PHE A 99 8.075 0.575 -13.874 1.00 0.00 O ATOM 1497 CB PHE A 99 9.323 -0.244 -11.622 1.00 0.00 C ATOM 1498 CG PHE A 99 9.254 -0.234 -10.113 1.00 0.00 C ATOM 1499 CD1 PHE A 99 8.020 -0.077 -9.469 1.00 0.00 C ATOM 1500 CD2 PHE A 99 10.423 -0.380 -9.358 1.00 0.00 C ATOM 1501 CE1 PHE A 99 7.957 -0.067 -8.071 1.00 0.00 C ATOM 1502 CE2 PHE A 99 10.360 -0.370 -7.959 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.127 -0.214 -7.316 1.00 0.00 C ATOM 0 H PHE A 99 9.081 -2.652 -13.377 1.00 0.00 H new ATOM 0 HA PHE A 99 7.381 -1.170 -11.462 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.290 -0.625 -11.949 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.234 0.772 -12.007 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.117 0.036 -10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.375 -0.500 -9.854 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.006 0.054 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.263 -0.483 -7.377 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.078 -0.207 -6.237 1.00 0.00 H new ATOM 1513 N ASP A 100 6.806 -1.191 -14.175 1.00 0.00 N ATOM 1514 CA ASP A 100 6.270 -0.640 -15.453 1.00 0.00 C ATOM 1515 C ASP A 100 5.410 0.589 -15.150 1.00 0.00 C ATOM 1516 O ASP A 100 4.872 0.731 -14.071 1.00 0.00 O ATOM 1517 CB ASP A 100 5.419 -1.702 -16.153 1.00 0.00 C ATOM 1518 CG ASP A 100 6.304 -2.532 -17.085 1.00 0.00 C ATOM 1519 OD1 ASP A 100 7.356 -2.044 -17.462 1.00 0.00 O ATOM 1520 OD2 ASP A 100 5.912 -3.641 -17.408 1.00 0.00 O ATOM 0 H ASP A 100 6.438 -2.104 -13.906 1.00 0.00 H new ATOM 0 HA ASP A 100 7.097 -0.356 -16.104 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.944 -2.348 -15.414 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.620 -1.226 -16.721 1.00 0.00 H new ATOM 1525 N TYR A 101 5.282 1.486 -16.090 1.00 0.00 N ATOM 1526 CA TYR A 101 4.462 2.709 -15.844 1.00 0.00 C ATOM 1527 C TYR A 101 3.167 2.643 -16.656 1.00 0.00 C ATOM 1528 O TYR A 101 3.017 1.830 -17.547 1.00 0.00 O ATOM 1529 CB TYR A 101 5.256 3.950 -16.262 1.00 0.00 C ATOM 1530 CG TYR A 101 6.726 3.722 -16.008 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.157 3.240 -14.767 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.658 3.994 -17.016 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.521 3.030 -14.533 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.022 3.783 -16.783 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.454 3.301 -15.541 1.00 0.00 C ATOM 1536 OH TYR A 101 10.798 3.092 -15.312 1.00 0.00 O ATOM 0 H TYR A 101 5.708 1.426 -17.015 1.00 0.00 H new ATOM 0 HA TYR A 101 4.220 2.766 -14.783 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.088 4.163 -17.318 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.911 4.820 -15.703 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.437 3.030 -13.990 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.325 4.367 -17.973 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.854 2.659 -13.575 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.741 3.992 -17.561 1.00 0.00 H new ATOM 0 HH TYR A 101 11.307 3.329 -16.115 1.00 0.00 H new ATOM 1546 N LEU A 102 2.230 3.500 -16.354 1.00 0.00 N ATOM 1547 CA LEU A 102 0.943 3.502 -17.104 1.00 0.00 C ATOM 1548 C LEU A 102 0.564 4.945 -17.448 1.00 0.00 C ATOM 1549 O LEU A 102 -0.120 5.607 -16.693 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.152 2.872 -16.242 1.00 0.00 C ATOM 1551 CG LEU A 102 -1.052 2.002 -17.120 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.695 0.527 -16.918 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.513 2.231 -16.729 1.00 0.00 C ATOM 0 H LEU A 102 2.301 4.201 -15.617 1.00 0.00 H new ATOM 0 HA LEU A 102 1.051 2.925 -18.022 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.294 2.270 -15.450 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.741 3.650 -15.757 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.907 2.268 -18.167 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.337 -0.092 -17.544 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.347 0.364 -17.194 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.840 0.258 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.158 1.612 -17.353 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.656 1.963 -15.682 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.768 3.281 -16.873 1.00 0.00 H new ATOM 1565 N PRO A 103 1.037 5.385 -18.582 1.00 0.00 N ATOM 1566 CA PRO A 103 0.745 6.770 -19.013 1.00 0.00 C ATOM 1567 C PRO A 103 -0.765 7.001 -19.130 1.00 0.00 C ATOM 1568 O PRO A 103 -1.554 6.076 -19.101 1.00 0.00 O ATOM 1569 CB PRO A 103 1.409 6.888 -20.385 1.00 0.00 C ATOM 1570 CG PRO A 103 1.543 5.451 -20.924 1.00 0.00 C ATOM 1571 CD PRO A 103 1.455 4.516 -19.708 1.00 0.00 C ATOM 0 HA PRO A 103 1.114 7.508 -18.301 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.808 7.501 -21.057 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.385 7.366 -20.305 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.752 5.231 -21.640 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.491 5.320 -21.446 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.734 3.716 -19.877 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.415 4.042 -19.505 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.167 8.236 -19.270 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.618 8.548 -19.398 1.00 0.00 C ATOM 1581 C LYS A 104 -2.880 9.155 -20.784 1.00 0.00 C ATOM 1582 O LYS A 104 -1.972 9.667 -21.408 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.016 9.554 -18.314 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.047 8.855 -16.954 1.00 0.00 C ATOM 1585 CD LYS A 104 -2.098 9.573 -15.992 1.00 0.00 C ATOM 1586 CE LYS A 104 -2.877 10.620 -15.193 1.00 0.00 C ATOM 1587 NZ LYS A 104 -2.016 11.816 -14.974 1.00 0.00 N ATOM 0 H LYS A 104 -0.548 9.046 -19.301 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.205 7.637 -19.280 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.307 10.381 -18.293 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.994 9.978 -18.539 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.061 8.860 -16.553 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.752 7.811 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.636 8.854 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.292 10.051 -16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.783 10.903 -15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.191 10.204 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.544 12.529 -14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.164 11.539 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.738 12.217 -15.893 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.113 9.081 -21.228 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.172 8.443 -20.412 1.00 0.00 C ATOM 1603 C PRO A 105 -5.146 6.925 -20.601 1.00 0.00 C ATOM 1604 O PRO A 105 -4.469 6.405 -21.467 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.475 9.035 -20.949 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.173 9.525 -22.378 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.645 9.679 -22.476 1.00 0.00 C ATOM 0 HA PRO A 105 -5.047 8.624 -19.345 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.268 8.287 -20.954 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.816 9.857 -20.320 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.539 8.813 -23.117 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.672 10.474 -22.576 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.253 9.168 -23.356 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.360 10.727 -22.563 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.881 6.212 -19.794 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.904 4.728 -19.917 1.00 0.00 C ATOM 1617 C PHE A 106 -7.275 4.211 -19.479 1.00 0.00 C ATOM 1618 O PHE A 106 -8.029 4.905 -18.825 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.822 4.125 -19.018 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.209 4.307 -17.569 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.165 5.581 -16.986 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.609 3.203 -16.807 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.522 5.748 -15.643 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.966 3.371 -15.464 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.922 4.643 -14.882 1.00 0.00 C ATOM 0 H PHE A 106 -6.468 6.594 -19.053 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.716 4.442 -20.952 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.698 3.065 -19.242 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.863 4.606 -19.212 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.856 6.433 -17.573 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.642 2.221 -17.256 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.489 6.730 -15.194 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.275 2.519 -14.877 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.197 4.772 -13.846 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.604 2.999 -19.827 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.919 2.443 -19.424 1.00 0.00 C ATOM 1637 C ASP A 107 -8.779 1.796 -18.044 1.00 0.00 C ATOM 1638 O ASP A 107 -7.899 2.137 -17.281 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.347 1.397 -20.451 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.874 1.298 -20.479 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.506 2.291 -20.801 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.385 0.232 -20.178 1.00 0.00 O ATOM 0 H ASP A 107 -7.016 2.370 -20.374 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.670 3.232 -19.378 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.972 1.668 -21.438 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.914 0.428 -20.200 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.631 0.867 -17.710 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.529 0.212 -16.378 1.00 0.00 C ATOM 1649 C ILE A 108 -9.325 -1.290 -16.560 1.00 0.00 C ATOM 1650 O ILE A 108 -8.257 -1.815 -16.317 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.816 0.463 -15.596 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.935 1.953 -15.269 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.795 -0.346 -14.297 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.932 2.321 -14.174 1.00 0.00 C ATOM 0 H ILE A 108 -10.392 0.534 -18.302 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.682 0.625 -15.831 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.670 0.155 -16.199 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.747 2.548 -16.163 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.948 2.183 -14.940 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.715 -0.165 -13.741 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.715 -1.408 -14.531 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.940 -0.042 -13.693 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.019 3.383 -13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.141 1.736 -13.278 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.921 2.106 -14.520 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.335 -1.986 -16.997 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.187 -3.446 -17.205 1.00 0.00 C ATOM 1668 C ASP A 109 -8.997 -3.676 -18.120 1.00 0.00 C ATOM 1669 O ASP A 109 -8.105 -4.443 -17.822 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.451 -3.977 -17.868 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.379 -5.501 -17.982 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.515 -5.983 -18.696 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -12.191 -6.161 -17.355 1.00 0.00 O ATOM 0 H ASP A 109 -11.255 -1.605 -17.218 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.032 -3.959 -16.256 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.326 -3.688 -17.286 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.566 -3.535 -18.858 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.975 -2.997 -19.230 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.837 -3.143 -20.171 1.00 0.00 C ATOM 1680 C GLU A 110 -6.540 -3.159 -19.361 1.00 0.00 C ATOM 1681 O GLU A 110 -5.651 -3.953 -19.604 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.841 -1.958 -21.135 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.592 -2.001 -22.017 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.686 -3.184 -22.982 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -7.717 -3.322 -23.620 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.725 -3.931 -23.067 1.00 0.00 O ATOM 0 H GLU A 110 -9.701 -2.344 -19.526 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.921 -4.068 -20.742 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.736 -1.986 -21.756 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.870 -1.023 -20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -6.497 -1.070 -22.575 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.700 -2.094 -21.397 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.436 -2.300 -18.378 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.218 -2.279 -17.540 1.00 0.00 C ATOM 1695 C ALA A 111 -5.150 -3.574 -16.728 1.00 0.00 C ATOM 1696 O ALA A 111 -4.334 -4.435 -16.989 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.307 -1.086 -16.599 1.00 0.00 C ATOM 0 H ALA A 111 -7.148 -1.615 -18.126 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.325 -2.197 -18.160 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.417 -1.051 -15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.376 -0.167 -17.182 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.192 -1.184 -15.970 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.991 -3.699 -15.729 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.975 -4.922 -14.873 1.00 0.00 C ATOM 1705 C VAL A 112 -5.676 -6.159 -15.724 1.00 0.00 C ATOM 1706 O VAL A 112 -4.635 -6.769 -15.598 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.348 -5.078 -14.214 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.488 -6.487 -13.632 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.488 -4.048 -13.089 1.00 0.00 C ATOM 0 H VAL A 112 -6.690 -3.002 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.200 -4.823 -14.113 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.127 -4.919 -14.960 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.467 -6.592 -13.164 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.386 -7.222 -14.430 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.710 -6.652 -12.886 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.465 -4.155 -12.617 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.706 -4.211 -12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.393 -3.044 -13.501 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.591 -6.531 -16.582 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.388 -7.732 -17.447 1.00 0.00 C ATOM 1721 C ALA A 113 -4.926 -7.828 -17.887 1.00 0.00 C ATOM 1722 O ALA A 113 -4.230 -8.760 -17.533 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.284 -7.624 -18.684 1.00 0.00 C ATOM 0 H ALA A 113 -7.479 -6.049 -16.721 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.646 -8.625 -16.879 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -7.138 -8.499 -19.317 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.328 -7.571 -18.374 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.025 -6.725 -19.243 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.461 -6.880 -18.668 1.00 0.00 N ATOM 1730 CA LEU A 114 -3.049 -6.911 -19.146 1.00 0.00 C ATOM 1731 C LEU A 114 -2.148 -7.482 -18.056 1.00 0.00 C ATOM 1732 O LEU A 114 -1.420 -8.432 -18.263 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.616 -5.481 -19.454 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.103 -5.439 -19.685 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.761 -6.188 -20.975 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.642 -3.985 -19.807 1.00 0.00 C ATOM 0 H LEU A 114 -5.007 -6.082 -18.994 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.972 -7.535 -20.037 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.139 -5.115 -20.337 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.886 -4.823 -18.628 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.597 -5.912 -18.843 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.316 -6.158 -21.139 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.086 -7.225 -20.891 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.269 -5.716 -21.816 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.435 -3.957 -19.971 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.150 -3.512 -20.648 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.883 -3.449 -18.889 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.212 -6.912 -16.887 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.383 -7.414 -15.765 1.00 0.00 C ATOM 1750 C VAL A 115 -1.685 -8.901 -15.561 1.00 0.00 C ATOM 1751 O VAL A 115 -0.800 -9.729 -15.611 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.729 -6.605 -14.502 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.613 -7.478 -13.249 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.763 -5.425 -14.385 1.00 0.00 C ATOM 0 H VAL A 115 -2.808 -6.115 -16.662 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.320 -7.298 -15.978 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.756 -6.248 -14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.862 -6.886 -12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.301 -8.319 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.593 -7.851 -13.159 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.002 -4.847 -13.492 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.259 -5.797 -14.314 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.857 -4.789 -15.265 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.931 -9.230 -15.320 1.00 0.00 N ATOM 1765 CA GLU A 116 -3.318 -10.656 -15.094 1.00 0.00 C ATOM 1766 C GLU A 116 -2.442 -11.581 -15.940 1.00 0.00 C ATOM 1767 O GLU A 116 -1.997 -12.619 -15.490 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.781 -10.849 -15.496 1.00 0.00 C ATOM 1769 CG GLU A 116 -5.646 -9.791 -14.807 1.00 0.00 C ATOM 1770 CD GLU A 116 -7.104 -10.252 -14.800 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -7.384 -11.260 -14.172 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -7.916 -9.592 -15.426 1.00 0.00 O ATOM 0 H GLU A 116 -3.702 -8.565 -15.270 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.182 -10.899 -14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.885 -10.770 -16.578 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.117 -11.847 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.299 -9.630 -13.786 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.557 -8.838 -15.328 1.00 0.00 H new ATOM 1779 N ARG A 117 -2.191 -11.211 -17.166 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.344 -12.064 -18.045 1.00 0.00 C ATOM 1781 C ARG A 117 0.124 -11.909 -17.653 1.00 0.00 C ATOM 1782 O ARG A 117 0.802 -12.878 -17.370 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.534 -11.636 -19.502 1.00 0.00 C ATOM 1784 CG ARG A 117 -3.001 -11.268 -19.735 1.00 0.00 C ATOM 1785 CD ARG A 117 -3.314 -11.339 -21.230 1.00 0.00 C ATOM 1786 NE ARG A 117 -3.994 -10.083 -21.653 1.00 0.00 N ATOM 1787 CZ ARG A 117 -5.296 -10.037 -21.724 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -6.022 -10.699 -20.863 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -5.873 -9.329 -22.654 1.00 0.00 N ATOM 0 H ARG A 117 -2.537 -10.354 -17.597 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.637 -13.107 -17.930 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.893 -10.784 -19.729 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.239 -12.444 -20.172 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.650 -11.949 -19.184 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.199 -10.265 -19.358 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.395 -11.477 -21.799 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -3.951 -12.199 -21.439 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.441 -9.258 -21.887 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -5.571 -11.252 -20.134 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.040 -10.662 -20.919 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -5.307 -8.811 -23.326 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.891 -9.293 -22.710 1.00 0.00 H new ATOM 1803 N ALA A 118 0.623 -10.703 -17.629 1.00 0.00 N ATOM 1804 CA ALA A 118 2.050 -10.499 -17.246 1.00 0.00 C ATOM 1805 C ALA A 118 2.363 -11.360 -16.022 1.00 0.00 C ATOM 1806 O ALA A 118 3.185 -12.254 -16.076 1.00 0.00 O ATOM 1807 CB ALA A 118 2.282 -9.026 -16.906 1.00 0.00 C ATOM 0 H ALA A 118 0.107 -9.853 -17.857 1.00 0.00 H new ATOM 0 HA ALA A 118 2.699 -10.784 -18.074 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.325 -8.877 -16.626 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.048 -8.411 -17.775 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.639 -8.739 -16.074 1.00 0.00 H new ATOM 1813 N ILE A 119 1.709 -11.085 -14.922 1.00 0.00 N ATOM 1814 CA ILE A 119 1.938 -11.861 -13.673 1.00 0.00 C ATOM 1815 C ILE A 119 2.254 -13.323 -13.999 1.00 0.00 C ATOM 1816 O ILE A 119 3.156 -13.912 -13.436 1.00 0.00 O ATOM 1817 CB ILE A 119 0.665 -11.801 -12.835 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.202 -10.347 -12.700 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.943 -12.381 -11.448 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.881 -10.255 -11.623 1.00 0.00 C ATOM 0 H ILE A 119 1.015 -10.342 -14.839 1.00 0.00 H new ATOM 0 HA ILE A 119 2.782 -11.436 -13.130 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.117 -12.382 -13.323 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.046 -9.708 -12.438 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.186 -9.988 -13.653 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.034 -12.339 -10.847 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.266 -13.417 -11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.727 -11.801 -10.961 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.211 -9.221 -11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.728 -10.881 -11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.477 -10.597 -10.670 1.00 0.00 H new ATOM 1832 N SER A 120 1.516 -13.917 -14.901 1.00 0.00 N ATOM 1833 CA SER A 120 1.778 -15.341 -15.253 1.00 0.00 C ATOM 1834 C SER A 120 2.468 -15.415 -16.615 1.00 0.00 C ATOM 1835 O SER A 120 1.948 -15.983 -17.555 1.00 0.00 O ATOM 1836 CB SER A 120 0.455 -16.103 -15.314 1.00 0.00 C ATOM 1837 OG SER A 120 -0.571 -15.311 -14.729 1.00 0.00 O ATOM 0 H SER A 120 0.746 -13.478 -15.406 1.00 0.00 H new ATOM 0 HA SER A 120 2.422 -15.787 -14.495 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.204 -16.337 -16.349 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.544 -17.052 -14.785 1.00 0.00 H new ATOM 0 HG SER A 120 -1.421 -15.796 -14.768 1.00 0.00 H new ATOM 1843 N HIS A 121 3.636 -14.845 -16.732 1.00 0.00 N ATOM 1844 CA HIS A 121 4.355 -14.884 -18.037 1.00 0.00 C ATOM 1845 C HIS A 121 5.530 -15.860 -17.947 1.00 0.00 C ATOM 1846 O HIS A 121 5.812 -16.594 -18.874 1.00 0.00 O ATOM 1847 CB HIS A 121 4.883 -13.486 -18.368 1.00 0.00 C ATOM 1848 CG HIS A 121 4.603 -13.167 -19.812 1.00 0.00 C ATOM 1849 ND1 HIS A 121 4.576 -11.866 -20.288 1.00 0.00 N ATOM 1850 CD2 HIS A 121 4.340 -13.969 -20.894 1.00 0.00 C ATOM 1851 CE1 HIS A 121 4.306 -11.922 -21.604 1.00 0.00 C ATOM 1852 NE2 HIS A 121 4.152 -13.180 -22.026 1.00 0.00 N ATOM 0 H HIS A 121 4.123 -14.355 -15.982 1.00 0.00 H new ATOM 0 HA HIS A 121 3.669 -15.212 -18.818 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.409 -12.746 -17.723 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.955 -13.437 -18.176 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.287 -15.047 -20.871 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.224 -11.055 -22.243 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.942 -13.495 -22.973 1.00 0.00 H new ATOM 1860 N TYR A 122 6.228 -15.865 -16.843 1.00 0.00 N ATOM 1861 CA TYR A 122 7.391 -16.778 -16.701 1.00 0.00 C ATOM 1862 C TYR A 122 7.180 -17.718 -15.512 1.00 0.00 C ATOM 1863 O TYR A 122 8.121 -18.131 -14.866 1.00 0.00 O ATOM 1864 CB TYR A 122 8.642 -15.941 -16.459 1.00 0.00 C ATOM 1865 CG TYR A 122 8.311 -14.800 -15.527 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.780 -13.609 -16.036 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.533 -14.936 -14.152 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.472 -12.554 -15.169 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.224 -13.882 -13.285 1.00 0.00 C ATOM 1870 CZ TYR A 122 7.694 -12.691 -13.794 1.00 0.00 C ATOM 1871 OH TYR A 122 7.389 -11.652 -12.938 1.00 0.00 O ATOM 0 H TYR A 122 6.040 -15.274 -16.034 1.00 0.00 H new ATOM 0 HA TYR A 122 7.499 -17.372 -17.609 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.429 -16.560 -16.028 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.022 -15.554 -17.404 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.608 -13.504 -17.097 1.00 0.00 H new ATOM 0 HD2 TYR A 122 8.943 -15.855 -13.760 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.063 -11.634 -15.561 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.394 -13.988 -12.224 1.00 0.00 H new ATOM 0 HH TYR A 122 7.603 -11.913 -12.018 1.00 0.00 H new ATOM 1881 N GLN A 123 5.958 -18.063 -15.213 1.00 0.00 N ATOM 1882 CA GLN A 123 5.714 -18.978 -14.064 1.00 0.00 C ATOM 1883 C GLN A 123 4.690 -20.042 -14.460 1.00 0.00 C ATOM 1884 O GLN A 123 3.874 -20.458 -13.662 1.00 0.00 O ATOM 1885 CB GLN A 123 5.185 -18.177 -12.872 1.00 0.00 C ATOM 1886 CG GLN A 123 5.800 -18.728 -11.584 1.00 0.00 C ATOM 1887 CD GLN A 123 5.154 -18.054 -10.372 1.00 0.00 C ATOM 1888 OE1 GLN A 123 5.828 -17.426 -9.581 1.00 0.00 O ATOM 1889 NE2 GLN A 123 3.866 -18.160 -10.191 1.00 0.00 N ATOM 0 H GLN A 123 5.123 -17.753 -15.711 1.00 0.00 H new ATOM 0 HA GLN A 123 6.650 -19.464 -13.787 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.436 -17.122 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.098 -18.243 -12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.654 -19.807 -11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.876 -18.552 -11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.299 -18.687 -10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.426 -17.715 -9.385 1.00 0.00 H new ATOM 1898 N GLU A 124 4.728 -20.490 -15.686 1.00 0.00 N ATOM 1899 CA GLU A 124 3.758 -21.532 -16.125 1.00 0.00 C ATOM 1900 C GLU A 124 2.330 -21.015 -15.937 1.00 0.00 C ATOM 1901 O GLU A 124 1.433 -21.836 -15.829 1.00 0.00 O ATOM 1902 CB GLU A 124 3.958 -22.795 -15.284 1.00 0.00 C ATOM 1903 CG GLU A 124 5.432 -23.202 -15.315 1.00 0.00 C ATOM 1904 CD GLU A 124 5.552 -24.711 -15.090 1.00 0.00 C ATOM 1905 OE1 GLU A 124 4.534 -25.335 -14.840 1.00 0.00 O ATOM 1906 OE2 GLU A 124 6.659 -25.216 -15.172 1.00 0.00 O ATOM 1907 OXT GLU A 124 2.158 -19.809 -15.904 1.00 0.00 O ATOM 0 H GLU A 124 5.387 -20.180 -16.400 1.00 0.00 H new ATOM 0 HA GLU A 124 3.923 -21.763 -17.177 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.641 -22.614 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.338 -23.604 -15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.875 -22.931 -16.273 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.985 -22.664 -14.545 1.00 0.00 H new TER 1914 GLU A 124