USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 960 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 81 MET CE :methyl -128:sc= -11.6! (180deg=-8.4!) USER MOD Set 1.2: A 82 THR OG1 : rot 110:sc= -2.71! USER MOD Set 2.1: A 60 MET CE :methyl -165:sc=-0.000362 (180deg=-0.184) USER MOD Set 2.2: A 85 SER OG : rot 78:sc= -0.719! USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.884) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0192) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 138:sc= -1.28! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -8:sc= -2.46! USER MOD Single : A 35 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.9!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.228 F(o=-1.1,f=-0.23) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 26:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00206) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.879 F(o=-2.5,f=-0.88) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.26! C(o=-11!,f=-7.3!) USER MOD Single : A 75 MET CE :methyl -155:sc= -0.205 (180deg=-0.834) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -7.17! C(o=-7.8!,f=-7.2!) USER MOD Single : A 92 SER OG : rot -90:sc= -0.0984 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.29 F(o=-2,f=-1.3) USER MOD Single : A 96 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.1!) USER MOD Single : A 101 TYR OH : rot 0:sc= -1.4 USER MOD Single : A 104 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.05) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.3!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.941 F(o=-1.7,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.390 -18.918 -4.603 1.00 0.00 N ATOM 2 CA MET A 1 7.424 -18.774 -3.122 1.00 0.00 C ATOM 3 C MET A 1 7.559 -17.310 -2.703 1.00 0.00 C ATOM 4 O MET A 1 6.897 -16.862 -1.768 1.00 0.00 O ATOM 5 CB MET A 1 8.593 -19.601 -2.575 1.00 0.00 C ATOM 6 CG MET A 1 8.159 -20.720 -1.638 1.00 0.00 C ATOM 7 SD MET A 1 8.570 -22.361 -2.266 1.00 0.00 S ATOM 8 CE MET A 1 7.581 -22.415 -3.759 1.00 0.00 C ATOM 0 H1 MET A 1 7.230 -19.915 -4.851 1.00 0.00 H new ATOM 0 H2 MET A 1 6.620 -18.337 -4.991 1.00 0.00 H new ATOM 0 H3 MET A 1 8.297 -18.603 -5.003 1.00 0.00 H new ATOM 0 HA MET A 1 6.484 -19.139 -2.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.146 -20.031 -3.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.279 -18.940 -2.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.634 -20.579 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.083 -20.657 -1.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.396 -23.453 -4.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.630 -21.911 -3.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.114 -21.914 -4.567 1.00 0.00 H new ATOM 20 N GLN A 2 8.415 -16.569 -3.400 1.00 0.00 N ATOM 21 CA GLN A 2 8.625 -15.158 -3.097 1.00 0.00 C ATOM 22 C GLN A 2 8.983 -14.384 -4.361 1.00 0.00 C ATOM 23 O GLN A 2 9.086 -14.958 -5.445 1.00 0.00 O ATOM 24 CB GLN A 2 9.730 -14.992 -2.051 1.00 0.00 C ATOM 25 CG GLN A 2 9.477 -13.857 -1.070 1.00 0.00 C ATOM 26 CD GLN A 2 10.722 -13.035 -0.793 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.875 -11.929 -1.512 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 11.536 -13.390 0.059 1.00 0.00 N flip ATOM 0 H GLN A 2 8.973 -16.922 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 2 7.696 -14.756 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.835 -15.924 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.677 -14.816 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.698 -13.206 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.102 -14.269 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.379 -14.247 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.368 -12.827 0.236 1.00 0.00 H new ATOM 37 N ARG A 3 9.170 -13.079 -4.214 1.00 0.00 N ATOM 38 CA ARG A 3 9.517 -12.221 -5.341 1.00 0.00 C ATOM 39 C ARG A 3 9.812 -10.802 -4.873 1.00 0.00 C ATOM 40 O ARG A 3 10.655 -10.109 -5.443 1.00 0.00 O ATOM 41 CB ARG A 3 8.388 -12.213 -6.371 1.00 0.00 C ATOM 42 CG ARG A 3 8.694 -11.376 -7.604 1.00 0.00 C ATOM 43 CD ARG A 3 8.551 -12.190 -8.879 1.00 0.00 C ATOM 44 NE ARG A 3 9.201 -11.545 -10.018 1.00 0.00 N ATOM 45 CZ ARG A 3 10.116 -12.131 -10.790 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.503 -13.380 -10.554 1.00 0.00 N ATOM 47 NH2 ARG A 3 10.645 -11.465 -11.807 1.00 0.00 N ATOM 0 H ARG A 3 9.087 -12.590 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 3 10.417 -12.622 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.182 -13.238 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.481 -11.833 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.020 -10.520 -7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.708 -10.981 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.983 -13.179 -8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.493 -12.335 -9.100 1.00 0.00 H new ATOM 0 HE ARG A 3 8.937 -10.584 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.099 -13.901 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.204 -13.818 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.352 -10.507 -11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.345 -11.911 -12.399 1.00 0.00 H new ATOM 61 N GLY A 4 9.114 -10.381 -3.829 1.00 0.00 N ATOM 62 CA GLY A 4 9.310 -9.050 -3.290 1.00 0.00 C ATOM 63 C GLY A 4 8.740 -7.970 -4.187 1.00 0.00 C ATOM 64 O GLY A 4 9.484 -7.236 -4.836 1.00 0.00 O ATOM 0 H GLY A 4 8.412 -10.940 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.841 -8.987 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.376 -8.873 -3.146 1.00 0.00 H new ATOM 68 N ILE A 5 7.417 -7.871 -4.223 1.00 0.00 N ATOM 69 CA ILE A 5 6.756 -6.869 -5.045 1.00 0.00 C ATOM 70 C ILE A 5 6.133 -5.779 -4.183 1.00 0.00 C ATOM 71 O ILE A 5 5.170 -6.022 -3.458 1.00 0.00 O ATOM 72 CB ILE A 5 5.653 -7.491 -5.921 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.161 -8.762 -6.602 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.162 -6.484 -6.952 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.836 -10.026 -5.836 1.00 0.00 C ATOM 0 H ILE A 5 6.784 -8.471 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 5 7.523 -6.438 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 5 4.813 -7.762 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.727 -8.829 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.241 -8.690 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.383 -6.939 -7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.759 -5.609 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.993 -6.182 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.226 -10.889 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.293 -9.980 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.755 -10.121 -5.732 1.00 0.00 H new ATOM 87 N VAL A 6 6.679 -4.574 -4.275 1.00 0.00 N ATOM 88 CA VAL A 6 6.164 -3.449 -3.509 1.00 0.00 C ATOM 89 C VAL A 6 5.464 -2.452 -4.418 1.00 0.00 C ATOM 90 O VAL A 6 6.078 -1.876 -5.315 1.00 0.00 O ATOM 91 CB VAL A 6 7.276 -2.721 -2.729 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.390 -2.277 -3.667 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.699 -1.533 -1.968 1.00 0.00 C ATOM 0 H VAL A 6 7.476 -4.351 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 6 5.452 -3.860 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 6 7.704 -3.416 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.164 -1.765 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.819 -3.149 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.985 -1.598 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.496 -1.029 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.244 -0.836 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.943 -1.883 -1.265 1.00 0.00 H new ATOM 103 N TRP A 7 4.178 -2.248 -4.183 1.00 0.00 N ATOM 104 CA TRP A 7 3.402 -1.315 -4.983 1.00 0.00 C ATOM 105 C TRP A 7 3.044 -0.083 -4.156 1.00 0.00 C ATOM 106 O TRP A 7 2.769 -0.184 -2.960 1.00 0.00 O ATOM 107 CB TRP A 7 2.168 -2.020 -5.545 1.00 0.00 C ATOM 108 CG TRP A 7 2.503 -2.918 -6.704 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.754 -3.270 -7.132 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.584 -3.580 -7.581 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.667 -4.088 -8.231 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.345 -4.299 -8.522 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.192 -3.630 -7.664 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.758 -5.057 -9.532 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.390 -4.383 -8.665 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.392 -5.088 -9.587 1.00 0.00 C ATOM 0 H TRP A 7 3.650 -2.715 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 7 3.996 -0.969 -5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.697 -2.608 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.440 -1.274 -5.864 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.677 -2.950 -6.671 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.457 -4.475 -8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.420 -3.089 -6.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.360 -5.600 -10.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.467 -4.429 -8.737 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.093 -5.668 -10.358 1.00 0.00 H new ATOM 127 N VAL A 8 3.108 1.088 -4.786 1.00 0.00 N ATOM 128 CA VAL A 8 2.848 2.346 -4.088 1.00 0.00 C ATOM 129 C VAL A 8 1.761 3.170 -4.765 1.00 0.00 C ATOM 130 O VAL A 8 1.656 3.194 -5.984 1.00 0.00 O ATOM 131 CB VAL A 8 4.127 3.212 -4.006 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.217 3.906 -2.657 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.381 2.380 -4.271 1.00 0.00 C ATOM 0 H VAL A 8 3.337 1.193 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 8 2.513 2.069 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 8 4.065 3.973 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.123 4.510 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.347 4.548 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.246 3.158 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.262 3.019 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.454 1.585 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.323 1.942 -5.268 1.00 0.00 H new ATOM 143 N VAL A 9 0.966 3.865 -3.963 1.00 0.00 N ATOM 144 CA VAL A 9 -0.098 4.706 -4.493 1.00 0.00 C ATOM 145 C VAL A 9 -0.089 6.084 -3.828 1.00 0.00 C ATOM 146 O VAL A 9 -0.469 6.231 -2.666 1.00 0.00 O ATOM 147 CB VAL A 9 -1.502 4.063 -4.341 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.242 4.108 -5.672 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.420 2.632 -3.820 1.00 0.00 C ATOM 0 H VAL A 9 1.037 3.863 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 9 0.102 4.815 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.056 4.642 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.226 3.655 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.355 5.144 -5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.675 3.557 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.425 2.220 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.841 2.024 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.936 2.628 -2.843 1.00 0.00 H new ATOM 159 N ASP A 10 0.354 7.087 -4.582 1.00 0.00 N ATOM 160 CA ASP A 10 0.427 8.464 -4.095 1.00 0.00 C ATOM 161 C ASP A 10 0.537 9.424 -5.277 1.00 0.00 C ATOM 162 O ASP A 10 0.091 9.110 -6.378 1.00 0.00 O ATOM 163 CB ASP A 10 1.611 8.636 -3.125 1.00 0.00 C ATOM 164 CG ASP A 10 1.334 9.689 -2.058 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.419 10.512 -2.267 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.033 9.696 -1.015 1.00 0.00 O ATOM 0 H ASP A 10 0.672 6.970 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.485 8.696 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.826 7.682 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.501 8.917 -3.688 1.00 0.00 H new ATOM 171 N ASP A 11 1.116 10.592 -5.050 1.00 0.00 N ATOM 172 CA ASP A 11 1.257 11.592 -6.104 1.00 0.00 C ATOM 173 C ASP A 11 2.202 11.129 -7.216 1.00 0.00 C ATOM 174 O ASP A 11 2.393 11.841 -8.203 1.00 0.00 O ATOM 175 CB ASP A 11 1.762 12.908 -5.514 1.00 0.00 C ATOM 176 CG ASP A 11 0.646 13.739 -4.910 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.221 13.157 -4.225 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.640 14.969 -5.122 1.00 0.00 O ATOM 0 H ASP A 11 1.497 10.874 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 11 0.271 11.738 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.509 12.697 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.259 13.485 -6.294 1.00 0.00 H new ATOM 183 N ASP A 12 2.778 9.937 -7.072 1.00 0.00 N ATOM 184 CA ASP A 12 3.678 9.400 -8.087 1.00 0.00 C ATOM 185 C ASP A 12 4.917 10.290 -8.250 1.00 0.00 C ATOM 186 O ASP A 12 5.325 10.961 -7.303 1.00 0.00 O ATOM 187 CB ASP A 12 2.923 9.256 -9.417 1.00 0.00 C ATOM 188 CG ASP A 12 3.003 7.849 -9.975 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.509 6.916 -9.308 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.561 7.679 -11.080 1.00 0.00 O ATOM 0 H ASP A 12 2.638 9.328 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 12 4.024 8.417 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.878 9.527 -9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.335 9.956 -10.144 1.00 0.00 H new ATOM 195 N SER A 13 5.503 10.294 -9.452 1.00 0.00 N ATOM 196 CA SER A 13 6.681 11.101 -9.753 1.00 0.00 C ATOM 197 C SER A 13 7.647 11.195 -8.571 1.00 0.00 C ATOM 198 O SER A 13 8.543 10.363 -8.427 1.00 0.00 O ATOM 199 CB SER A 13 6.228 12.478 -10.224 1.00 0.00 C ATOM 200 OG SER A 13 7.241 13.123 -10.979 1.00 0.00 O ATOM 0 H SER A 13 5.171 9.737 -10.240 1.00 0.00 H new ATOM 0 HA SER A 13 7.243 10.612 -10.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.327 12.379 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.967 13.092 -9.362 1.00 0.00 H new ATOM 0 HG SER A 13 6.922 14.003 -11.269 1.00 0.00 H new ATOM 206 N SER A 14 7.464 12.204 -7.728 1.00 0.00 N ATOM 207 CA SER A 14 8.323 12.394 -6.565 1.00 0.00 C ATOM 208 C SER A 14 8.353 11.138 -5.701 1.00 0.00 C ATOM 209 O SER A 14 9.418 10.583 -5.438 1.00 0.00 O ATOM 210 CB SER A 14 7.839 13.585 -5.735 1.00 0.00 C ATOM 211 OG SER A 14 8.913 14.193 -5.038 1.00 0.00 O ATOM 0 H SER A 14 6.728 12.904 -7.828 1.00 0.00 H new ATOM 0 HA SER A 14 9.334 12.595 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.364 14.318 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.082 13.253 -5.024 1.00 0.00 H new ATOM 0 HG SER A 14 8.577 14.952 -4.517 1.00 0.00 H new ATOM 217 N ILE A 15 7.178 10.693 -5.268 1.00 0.00 N ATOM 218 CA ILE A 15 7.072 9.502 -4.434 1.00 0.00 C ATOM 219 C ILE A 15 7.531 8.259 -5.184 1.00 0.00 C ATOM 220 O ILE A 15 8.041 7.311 -4.585 1.00 0.00 O ATOM 221 CB ILE A 15 5.627 9.281 -3.937 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.029 10.584 -3.403 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.599 8.205 -2.861 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.787 11.163 -2.228 1.00 0.00 C ATOM 0 H ILE A 15 6.286 11.139 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 15 7.722 9.667 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 15 5.022 8.950 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.006 11.319 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.996 10.404 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.574 8.059 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.981 7.270 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.221 8.514 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.306 12.085 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.789 10.446 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.814 11.375 -2.526 1.00 0.00 H new ATOM 236 N ARG A 16 7.336 8.265 -6.495 1.00 0.00 N ATOM 237 CA ARG A 16 7.719 7.131 -7.335 1.00 0.00 C ATOM 238 C ARG A 16 9.236 7.024 -7.479 1.00 0.00 C ATOM 239 O ARG A 16 9.815 5.964 -7.238 1.00 0.00 O ATOM 240 CB ARG A 16 7.071 7.254 -8.720 1.00 0.00 C ATOM 241 CG ARG A 16 7.468 6.144 -9.686 1.00 0.00 C ATOM 242 CD ARG A 16 7.333 6.587 -11.135 1.00 0.00 C ATOM 243 NE ARG A 16 5.964 6.440 -11.627 1.00 0.00 N ATOM 244 CZ ARG A 16 5.608 5.632 -12.626 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.513 4.889 -13.252 1.00 0.00 N ATOM 246 NH2 ARG A 16 4.337 5.566 -13.000 1.00 0.00 N ATOM 0 H ARG A 16 6.914 9.042 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 16 7.363 6.224 -6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.987 7.252 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.344 8.216 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.497 5.843 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.842 5.269 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.641 7.629 -11.226 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.007 6.000 -11.758 1.00 0.00 H new ATOM 0 HE ARG A 16 5.234 6.992 -11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.492 4.933 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.229 4.274 -14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.635 6.132 -12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.062 4.949 -13.764 1.00 0.00 H new ATOM 260 N TRP A 17 9.872 8.114 -7.893 1.00 0.00 N ATOM 261 CA TRP A 17 11.319 8.128 -8.094 1.00 0.00 C ATOM 262 C TRP A 17 12.082 7.666 -6.856 1.00 0.00 C ATOM 263 O TRP A 17 13.078 6.947 -6.966 1.00 0.00 O ATOM 264 CB TRP A 17 11.792 9.527 -8.490 1.00 0.00 C ATOM 265 CG TRP A 17 13.234 9.557 -8.894 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.750 9.216 -10.111 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.347 9.934 -8.077 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.117 9.359 -10.101 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.507 9.800 -8.864 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.478 10.375 -6.756 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.778 10.089 -8.373 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.740 10.662 -6.271 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.875 10.519 -7.078 1.00 0.00 C ATOM 0 H TRP A 17 9.410 9.000 -8.096 1.00 0.00 H new ATOM 0 HA TRP A 17 11.530 7.425 -8.899 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.180 9.893 -9.315 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.639 10.208 -7.653 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.169 8.883 -10.958 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.739 9.168 -10.886 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.608 10.489 -6.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.656 9.978 -8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.852 11.002 -5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.847 10.753 -6.670 1.00 0.00 H new ATOM 284 N VAL A 18 11.635 8.091 -5.684 1.00 0.00 N ATOM 285 CA VAL A 18 12.310 7.726 -4.447 1.00 0.00 C ATOM 286 C VAL A 18 12.159 6.248 -4.119 1.00 0.00 C ATOM 287 O VAL A 18 13.148 5.543 -3.916 1.00 0.00 O ATOM 288 CB VAL A 18 11.811 8.554 -3.244 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.825 8.498 -2.113 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.538 9.997 -3.646 1.00 0.00 C ATOM 0 H VAL A 18 10.814 8.684 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 18 13.364 7.945 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 18 10.873 8.121 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.462 9.086 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.965 7.463 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.776 8.905 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.188 10.556 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.455 10.449 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.775 10.020 -4.424 1.00 0.00 H new ATOM 300 N LEU A 19 10.922 5.794 -4.025 1.00 0.00 N ATOM 301 CA LEU A 19 10.645 4.406 -3.667 1.00 0.00 C ATOM 302 C LEU A 19 10.979 3.436 -4.794 1.00 0.00 C ATOM 303 O LEU A 19 11.215 2.257 -4.545 1.00 0.00 O ATOM 304 CB LEU A 19 9.183 4.240 -3.225 1.00 0.00 C ATOM 305 CG LEU A 19 8.923 3.161 -2.157 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.928 3.250 -1.017 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.510 3.290 -1.609 1.00 0.00 C ATOM 0 H LEU A 19 10.091 6.362 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 19 11.297 4.158 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.829 5.197 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.582 4.007 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 19 9.038 2.189 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.714 2.474 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.936 3.111 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.855 4.229 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.340 2.521 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.383 4.274 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.792 3.167 -2.420 1.00 0.00 H new ATOM 319 N GLU A 20 11.003 3.921 -6.028 1.00 0.00 N ATOM 320 CA GLU A 20 11.314 3.052 -7.157 1.00 0.00 C ATOM 321 C GLU A 20 12.760 2.576 -7.113 1.00 0.00 C ATOM 322 O GLU A 20 13.029 1.375 -7.076 1.00 0.00 O ATOM 323 CB GLU A 20 11.005 3.732 -8.500 1.00 0.00 C ATOM 324 CG GLU A 20 11.947 4.853 -8.903 1.00 0.00 C ATOM 325 CD GLU A 20 11.601 5.440 -10.258 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.404 5.689 -10.510 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.528 5.649 -11.069 1.00 0.00 O ATOM 0 H GLU A 20 10.815 4.893 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 20 10.669 2.177 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.018 2.973 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.991 4.131 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.914 5.640 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.969 4.475 -8.924 1.00 0.00 H new ATOM 334 N ARG A 21 13.686 3.517 -7.131 1.00 0.00 N ATOM 335 CA ARG A 21 15.105 3.190 -7.114 1.00 0.00 C ATOM 336 C ARG A 21 15.577 2.729 -5.736 1.00 0.00 C ATOM 337 O ARG A 21 16.181 1.664 -5.605 1.00 0.00 O ATOM 338 CB ARG A 21 15.932 4.395 -7.570 1.00 0.00 C ATOM 339 CG ARG A 21 15.710 4.774 -9.027 1.00 0.00 C ATOM 340 CD ARG A 21 16.867 4.329 -9.909 1.00 0.00 C ATOM 341 NE ARG A 21 18.161 4.747 -9.373 1.00 0.00 N ATOM 342 CZ ARG A 21 18.871 5.772 -9.845 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.415 6.501 -10.856 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.041 6.075 -9.297 1.00 0.00 N ATOM 0 H ARG A 21 13.483 4.516 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 21 15.251 2.361 -7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.689 5.251 -6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.989 4.177 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.785 4.320 -9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.586 5.854 -9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.850 3.244 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.739 4.742 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 21 18.545 4.221 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.514 6.279 -11.279 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.966 7.283 -11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.396 5.524 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.585 6.859 -9.657 1.00 0.00 H new ATOM 358 N ALA A 22 15.322 3.534 -4.710 1.00 0.00 N ATOM 359 CA ALA A 22 15.751 3.194 -3.355 1.00 0.00 C ATOM 360 C ALA A 22 15.286 1.807 -2.948 1.00 0.00 C ATOM 361 O ALA A 22 16.092 0.955 -2.575 1.00 0.00 O ATOM 362 CB ALA A 22 15.261 4.237 -2.361 1.00 0.00 C ATOM 0 H ALA A 22 14.824 4.421 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 22 16.841 3.189 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.590 3.966 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.669 5.212 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.172 4.280 -2.386 1.00 0.00 H new ATOM 368 N LEU A 23 13.990 1.589 -3.022 1.00 0.00 N ATOM 369 CA LEU A 23 13.421 0.300 -2.661 1.00 0.00 C ATOM 370 C LEU A 23 13.881 -0.785 -3.637 1.00 0.00 C ATOM 371 O LEU A 23 13.884 -1.979 -3.307 1.00 0.00 O ATOM 372 CB LEU A 23 11.897 0.383 -2.606 1.00 0.00 C ATOM 373 CG LEU A 23 11.204 -0.814 -1.959 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.899 -1.210 -0.664 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.740 -0.506 -1.705 1.00 0.00 C ATOM 0 H LEU A 23 13.309 2.284 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 23 13.779 0.029 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.618 1.284 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.518 0.496 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 23 11.267 -1.656 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.386 -2.065 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.935 -1.477 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.874 -0.372 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.261 -1.370 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.659 0.353 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.247 -0.279 -2.650 1.00 0.00 H new ATOM 387 N ALA A 24 14.305 -0.367 -4.829 1.00 0.00 N ATOM 388 CA ALA A 24 14.805 -1.311 -5.810 1.00 0.00 C ATOM 389 C ALA A 24 16.145 -1.847 -5.336 1.00 0.00 C ATOM 390 O ALA A 24 16.469 -3.018 -5.539 1.00 0.00 O ATOM 391 CB ALA A 24 14.938 -0.664 -7.182 1.00 0.00 C ATOM 0 H ALA A 24 14.310 0.608 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 24 14.095 -2.132 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.315 -1.397 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.963 -0.306 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.632 0.175 -7.123 1.00 0.00 H new ATOM 397 N GLY A 25 16.914 -0.980 -4.673 1.00 0.00 N ATOM 398 CA GLY A 25 18.198 -1.387 -4.146 1.00 0.00 C ATOM 399 C GLY A 25 18.047 -2.480 -3.110 1.00 0.00 C ATOM 400 O GLY A 25 18.953 -3.287 -2.908 1.00 0.00 O ATOM 0 H GLY A 25 16.666 -0.007 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.832 -1.740 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.699 -0.528 -3.701 1.00 0.00 H new ATOM 404 N ALA A 26 16.883 -2.510 -2.458 1.00 0.00 N ATOM 405 CA ALA A 26 16.601 -3.516 -1.447 1.00 0.00 C ATOM 406 C ALA A 26 16.255 -4.854 -2.099 1.00 0.00 C ATOM 407 O ALA A 26 16.309 -5.900 -1.452 1.00 0.00 O ATOM 408 CB ALA A 26 15.479 -3.046 -0.534 1.00 0.00 C ATOM 0 H ALA A 26 16.124 -1.847 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 26 17.495 -3.662 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.278 -3.809 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.775 -2.120 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.579 -2.872 -1.124 1.00 0.00 H new ATOM 414 N GLY A 27 15.943 -4.820 -3.397 1.00 0.00 N ATOM 415 CA GLY A 27 15.647 -6.045 -4.119 1.00 0.00 C ATOM 416 C GLY A 27 14.171 -6.315 -4.371 1.00 0.00 C ATOM 417 O GLY A 27 13.789 -7.472 -4.541 1.00 0.00 O ATOM 0 H GLY A 27 15.891 -3.969 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.162 -6.014 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.062 -6.884 -3.561 1.00 0.00 H new ATOM 421 N LEU A 28 13.326 -5.283 -4.402 1.00 0.00 N ATOM 422 CA LEU A 28 11.904 -5.508 -4.646 1.00 0.00 C ATOM 423 C LEU A 28 11.398 -4.759 -5.878 1.00 0.00 C ATOM 424 O LEU A 28 12.060 -3.856 -6.388 1.00 0.00 O ATOM 425 CB LEU A 28 11.074 -5.117 -3.426 1.00 0.00 C ATOM 426 CG LEU A 28 11.793 -5.234 -2.085 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.480 -3.942 -1.743 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.816 -5.641 -0.994 1.00 0.00 C ATOM 0 H LEU A 28 13.593 -4.308 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 28 11.787 -6.575 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.737 -4.088 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.182 -5.743 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 28 12.555 -6.010 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.988 -4.043 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.210 -3.702 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.742 -3.143 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.344 -5.720 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.030 -4.890 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.372 -6.605 -1.244 1.00 0.00 H new ATOM 440 N THR A 29 10.208 -5.147 -6.344 1.00 0.00 N ATOM 441 CA THR A 29 9.594 -4.516 -7.511 1.00 0.00 C ATOM 442 C THR A 29 8.754 -3.319 -7.080 1.00 0.00 C ATOM 443 O THR A 29 7.707 -3.472 -6.452 1.00 0.00 O ATOM 444 CB THR A 29 8.730 -5.522 -8.279 1.00 0.00 C ATOM 445 OG1 THR A 29 9.509 -6.621 -8.717 1.00 0.00 O ATOM 446 CG2 THR A 29 8.058 -4.927 -9.497 1.00 0.00 C ATOM 0 H THR A 29 9.652 -5.895 -5.930 1.00 0.00 H new ATOM 0 HA THR A 29 10.388 -4.170 -8.173 1.00 0.00 H new ATOM 0 HB THR A 29 7.960 -5.837 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.939 -7.253 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.462 -5.692 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.411 -4.106 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.816 -4.554 -10.185 1.00 0.00 H new ATOM 454 N CYS A 30 9.241 -2.127 -7.400 1.00 0.00 N ATOM 455 CA CYS A 30 8.565 -0.892 -7.024 1.00 0.00 C ATOM 456 C CYS A 30 7.795 -0.272 -8.188 1.00 0.00 C ATOM 457 O CYS A 30 8.386 0.171 -9.172 1.00 0.00 O ATOM 458 CB CYS A 30 9.590 0.115 -6.506 1.00 0.00 C ATOM 459 SG CYS A 30 11.073 -0.630 -5.783 1.00 0.00 S ATOM 0 H CYS A 30 10.106 -1.989 -7.922 1.00 0.00 H new ATOM 0 HA CYS A 30 7.844 -1.141 -6.245 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.889 0.766 -7.328 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.114 0.747 -5.756 1.00 0.00 H new ATOM 0 HG CYS A 30 12.123 0.032 -6.168 1.00 0.00 H new ATOM 465 N THR A 31 6.473 -0.211 -8.049 1.00 0.00 N ATOM 466 CA THR A 31 5.621 0.397 -9.065 1.00 0.00 C ATOM 467 C THR A 31 4.623 1.325 -8.371 1.00 0.00 C ATOM 468 O THR A 31 4.016 0.951 -7.367 1.00 0.00 O ATOM 469 CB THR A 31 4.891 -0.669 -9.898 1.00 0.00 C ATOM 470 OG1 THR A 31 4.478 -0.130 -11.142 1.00 0.00 O ATOM 471 CG2 THR A 31 3.651 -1.210 -9.233 1.00 0.00 C ATOM 0 H THR A 31 5.969 -0.576 -7.241 1.00 0.00 H new ATOM 0 HA THR A 31 6.239 0.969 -9.757 1.00 0.00 H new ATOM 0 HB THR A 31 5.613 -1.477 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.017 -0.821 -11.661 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.189 -1.957 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.919 -1.669 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.947 -0.396 -9.058 1.00 0.00 H new ATOM 479 N THR A 32 4.483 2.541 -8.881 1.00 0.00 N ATOM 480 CA THR A 32 3.586 3.518 -8.273 1.00 0.00 C ATOM 481 C THR A 32 2.312 3.721 -9.080 1.00 0.00 C ATOM 482 O THR A 32 2.214 3.318 -10.240 1.00 0.00 O ATOM 483 CB THR A 32 4.302 4.852 -8.078 1.00 0.00 C ATOM 484 OG1 THR A 32 4.700 5.408 -9.321 1.00 0.00 O ATOM 485 CG2 THR A 32 5.529 4.731 -7.202 1.00 0.00 C ATOM 0 H THR A 32 4.975 2.875 -9.710 1.00 0.00 H new ATOM 0 HA THR A 32 3.294 3.118 -7.302 1.00 0.00 H new ATOM 0 HB THR A 32 3.580 5.503 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.545 4.756 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.999 5.709 -7.097 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.239 4.360 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.235 4.036 -7.658 1.00 0.00 H new ATOM 493 N PHE A 33 1.326 4.331 -8.431 1.00 0.00 N ATOM 494 CA PHE A 33 0.027 4.581 -9.035 1.00 0.00 C ATOM 495 C PHE A 33 -0.458 6.005 -8.731 1.00 0.00 C ATOM 496 O PHE A 33 0.191 6.746 -7.991 1.00 0.00 O ATOM 497 CB PHE A 33 -0.968 3.530 -8.554 1.00 0.00 C ATOM 498 CG PHE A 33 -0.493 2.124 -8.785 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.595 1.632 -8.094 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.120 1.303 -9.703 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.053 0.350 -8.309 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.671 0.017 -9.925 1.00 0.00 C ATOM 503 CZ PHE A 33 0.417 -0.462 -9.228 1.00 0.00 C ATOM 0 H PHE A 33 1.407 4.665 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 33 0.115 4.503 -10.119 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.155 3.674 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.919 3.676 -9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.096 2.261 -7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.972 1.673 -10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.907 -0.019 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.172 -0.614 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.771 -1.468 -9.399 1.00 0.00 H new ATOM 513 N GLU A 34 -1.575 6.394 -9.346 1.00 0.00 N ATOM 514 CA GLU A 34 -2.121 7.743 -9.192 1.00 0.00 C ATOM 515 C GLU A 34 -2.506 8.077 -7.749 1.00 0.00 C ATOM 516 O GLU A 34 -2.128 9.133 -7.245 1.00 0.00 O ATOM 517 CB GLU A 34 -3.346 7.899 -10.088 1.00 0.00 C ATOM 518 CG GLU A 34 -4.392 6.825 -9.857 1.00 0.00 C ATOM 519 CD GLU A 34 -5.535 7.280 -8.976 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.755 8.506 -8.872 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.208 6.407 -8.389 1.00 0.00 O ATOM 0 H GLU A 34 -2.122 5.790 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.333 8.438 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.794 8.877 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.031 7.873 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.790 6.503 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.916 5.956 -9.402 1.00 0.00 H new ATOM 528 N ASN A 35 -3.259 7.205 -7.082 1.00 0.00 N ATOM 529 CA ASN A 35 -3.661 7.480 -5.703 1.00 0.00 C ATOM 530 C ASN A 35 -4.215 6.252 -4.996 1.00 0.00 C ATOM 531 O ASN A 35 -3.991 6.067 -3.799 1.00 0.00 O ATOM 532 CB ASN A 35 -4.687 8.606 -5.657 1.00 0.00 C ATOM 533 CG ASN A 35 -4.047 9.976 -5.563 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.294 10.259 -4.630 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.347 10.836 -6.528 1.00 0.00 N ATOM 0 H ASN A 35 -3.597 6.321 -7.462 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.758 7.783 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.310 8.561 -6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.345 8.457 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.949 11.775 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.976 10.558 -7.282 1.00 0.00 H new ATOM 542 N GLY A 36 -4.931 5.409 -5.728 1.00 0.00 N ATOM 543 CA GLY A 36 -5.487 4.210 -5.121 1.00 0.00 C ATOM 544 C GLY A 36 -6.132 3.259 -6.112 1.00 0.00 C ATOM 545 O GLY A 36 -5.678 2.127 -6.283 1.00 0.00 O ATOM 0 H GLY A 36 -5.137 5.529 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.694 3.683 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.229 4.502 -4.378 1.00 0.00 H new ATOM 549 N ASN A 37 -7.209 3.707 -6.745 1.00 0.00 N ATOM 550 CA ASN A 37 -7.941 2.878 -7.697 1.00 0.00 C ATOM 551 C ASN A 37 -7.035 2.324 -8.789 1.00 0.00 C ATOM 552 O ASN A 37 -7.282 1.238 -9.314 1.00 0.00 O ATOM 553 CB ASN A 37 -9.091 3.673 -8.312 1.00 0.00 C ATOM 554 CG ASN A 37 -10.445 3.079 -7.974 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.608 2.640 -6.729 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.336 3.015 -8.822 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.596 4.642 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.344 2.027 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.049 4.703 -7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.970 3.704 -9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.168 3.364 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.242 2.613 -8.581 1.00 0.00 H new ATOM 563 N GLU A 38 -5.991 3.063 -9.138 1.00 0.00 N ATOM 564 CA GLU A 38 -5.072 2.615 -10.176 1.00 0.00 C ATOM 565 C GLU A 38 -4.494 1.238 -9.844 1.00 0.00 C ATOM 566 O GLU A 38 -4.500 0.347 -10.692 1.00 0.00 O ATOM 567 CB GLU A 38 -3.968 3.643 -10.391 1.00 0.00 C ATOM 568 CG GLU A 38 -3.114 3.387 -11.624 1.00 0.00 C ATOM 569 CD GLU A 38 -2.525 4.659 -12.198 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.299 5.595 -12.488 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.287 4.721 -12.357 1.00 0.00 O ATOM 0 H GLU A 38 -5.760 3.966 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.629 2.518 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.418 4.632 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.323 3.658 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.307 2.701 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.720 2.895 -12.385 1.00 0.00 H new ATOM 578 N VAL A 39 -4.009 1.044 -8.610 1.00 0.00 N ATOM 579 CA VAL A 39 -3.462 -0.262 -8.232 1.00 0.00 C ATOM 580 C VAL A 39 -4.451 -1.381 -8.523 1.00 0.00 C ATOM 581 O VAL A 39 -4.069 -2.454 -8.989 1.00 0.00 O ATOM 582 CB VAL A 39 -3.082 -0.336 -6.745 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.185 -1.533 -6.492 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.406 0.939 -6.303 1.00 0.00 C ATOM 0 H VAL A 39 -3.984 1.753 -7.877 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.562 -0.387 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.994 -0.456 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.923 -1.574 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.710 -2.447 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.277 -1.440 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.145 0.865 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.501 1.093 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.083 1.780 -6.452 1.00 0.00 H new ATOM 594 N LEU A 40 -5.724 -1.128 -8.242 1.00 0.00 N ATOM 595 CA LEU A 40 -6.768 -2.118 -8.473 1.00 0.00 C ATOM 596 C LEU A 40 -6.737 -2.608 -9.916 1.00 0.00 C ATOM 597 O LEU A 40 -6.874 -3.803 -10.179 1.00 0.00 O ATOM 598 CB LEU A 40 -8.140 -1.528 -8.149 1.00 0.00 C ATOM 599 CG LEU A 40 -8.254 -0.887 -6.764 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.676 -0.414 -6.505 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.812 -1.869 -5.688 1.00 0.00 C ATOM 0 H LEU A 40 -6.058 -0.246 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.584 -2.967 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.384 -0.778 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.887 -2.317 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.596 -0.018 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.734 0.038 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.957 0.323 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.357 -1.263 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.899 -1.399 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.445 -2.756 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.775 -2.157 -5.862 1.00 0.00 H new ATOM 613 N ALA A 41 -6.547 -1.677 -10.844 1.00 0.00 N ATOM 614 CA ALA A 41 -6.487 -2.014 -12.261 1.00 0.00 C ATOM 615 C ALA A 41 -5.365 -3.002 -12.535 1.00 0.00 C ATOM 616 O ALA A 41 -5.576 -4.054 -13.139 1.00 0.00 O ATOM 617 CB ALA A 41 -6.309 -0.755 -13.096 1.00 0.00 C ATOM 0 H ALA A 41 -6.432 -0.684 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.428 -2.487 -12.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.266 -1.022 -14.152 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.150 -0.083 -12.926 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.383 -0.256 -12.810 1.00 0.00 H new ATOM 623 N ALA A 42 -4.175 -2.654 -12.078 1.00 0.00 N ATOM 624 CA ALA A 42 -3.002 -3.499 -12.256 1.00 0.00 C ATOM 625 C ALA A 42 -3.098 -4.749 -11.388 1.00 0.00 C ATOM 626 O ALA A 42 -2.533 -5.792 -11.714 1.00 0.00 O ATOM 627 CB ALA A 42 -1.731 -2.726 -11.924 1.00 0.00 C ATOM 0 H ALA A 42 -3.993 -1.785 -11.576 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.962 -3.806 -13.301 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.865 -3.373 -12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.648 -1.862 -12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.770 -2.389 -10.888 1.00 0.00 H new ATOM 633 N LEU A 43 -3.812 -4.629 -10.273 1.00 0.00 N ATOM 634 CA LEU A 43 -3.980 -5.738 -9.345 1.00 0.00 C ATOM 635 C LEU A 43 -4.817 -6.855 -9.953 1.00 0.00 C ATOM 636 O LEU A 43 -4.666 -8.023 -9.599 1.00 0.00 O ATOM 637 CB LEU A 43 -4.638 -5.256 -8.053 1.00 0.00 C ATOM 638 CG LEU A 43 -3.675 -4.790 -6.972 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.427 -4.090 -5.851 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.913 -5.979 -6.433 1.00 0.00 C ATOM 0 H LEU A 43 -4.285 -3.770 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.988 -6.132 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.315 -4.436 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.247 -6.065 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.972 -4.077 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.721 -3.764 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.954 -3.224 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.146 -4.780 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.222 -5.647 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.614 -6.699 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.353 -6.449 -7.241 1.00 0.00 H new ATOM 652 N ALA A 44 -5.705 -6.485 -10.862 1.00 0.00 N ATOM 653 CA ALA A 44 -6.578 -7.450 -11.516 1.00 0.00 C ATOM 654 C ALA A 44 -5.786 -8.576 -12.180 1.00 0.00 C ATOM 655 O ALA A 44 -6.341 -9.630 -12.495 1.00 0.00 O ATOM 656 CB ALA A 44 -7.464 -6.749 -12.536 1.00 0.00 C ATOM 0 H ALA A 44 -5.841 -5.521 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.205 -7.903 -10.748 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.112 -7.480 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.074 -5.999 -12.033 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.841 -6.265 -13.288 1.00 0.00 H new ATOM 662 N SER A 45 -4.492 -8.353 -12.397 1.00 0.00 N ATOM 663 CA SER A 45 -3.646 -9.351 -13.027 1.00 0.00 C ATOM 664 C SER A 45 -2.425 -9.701 -12.170 1.00 0.00 C ATOM 665 O SER A 45 -1.609 -10.533 -12.562 1.00 0.00 O ATOM 666 CB SER A 45 -3.193 -8.863 -14.405 1.00 0.00 C ATOM 667 OG SER A 45 -3.960 -9.462 -15.434 1.00 0.00 O ATOM 0 H SER A 45 -4.011 -7.490 -12.144 1.00 0.00 H new ATOM 0 HA SER A 45 -4.241 -10.258 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.288 -7.779 -14.460 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.138 -9.098 -14.549 1.00 0.00 H new ATOM 0 HG SER A 45 -3.653 -9.133 -16.305 1.00 0.00 H new ATOM 673 N LYS A 46 -2.300 -9.070 -11.003 1.00 0.00 N ATOM 674 CA LYS A 46 -1.173 -9.339 -10.117 1.00 0.00 C ATOM 675 C LYS A 46 -1.439 -8.821 -8.706 1.00 0.00 C ATOM 676 O LYS A 46 -2.351 -8.025 -8.489 1.00 0.00 O ATOM 677 CB LYS A 46 0.102 -8.706 -10.675 1.00 0.00 C ATOM 678 CG LYS A 46 1.358 -9.512 -10.378 1.00 0.00 C ATOM 679 CD LYS A 46 2.454 -8.646 -9.772 1.00 0.00 C ATOM 680 CE LYS A 46 3.738 -8.718 -10.583 1.00 0.00 C ATOM 681 NZ LYS A 46 4.038 -7.427 -11.262 1.00 0.00 N ATOM 0 H LYS A 46 -2.960 -8.375 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.043 -10.420 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.000 -8.592 -11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.214 -7.705 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.115 -10.324 -9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.723 -9.969 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.114 -7.612 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.650 -8.969 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.567 -8.985 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.653 -9.509 -11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.921 -7.517 -11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.259 -7.184 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.144 -6.677 -10.550 1.00 0.00 H new ATOM 695 N THR A 47 -0.641 -9.283 -7.748 1.00 0.00 N ATOM 696 CA THR A 47 -0.792 -8.868 -6.362 1.00 0.00 C ATOM 697 C THR A 47 0.564 -8.625 -5.697 1.00 0.00 C ATOM 698 O THR A 47 1.332 -9.565 -5.487 1.00 0.00 O ATOM 699 CB THR A 47 -1.576 -9.921 -5.575 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.858 -10.120 -6.142 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.769 -9.560 -4.116 1.00 0.00 C ATOM 0 H THR A 47 0.117 -9.946 -7.909 1.00 0.00 H new ATOM 0 HA THR A 47 -1.344 -7.928 -6.357 1.00 0.00 H new ATOM 0 HB THR A 47 -0.975 -10.828 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.342 -10.798 -5.626 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.332 -10.349 -3.617 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.796 -9.450 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.318 -8.621 -4.043 1.00 0.00 H new ATOM 709 N PRO A 48 0.878 -7.366 -5.335 1.00 0.00 N ATOM 710 CA PRO A 48 2.141 -7.035 -4.674 1.00 0.00 C ATOM 711 C PRO A 48 2.197 -7.600 -3.258 1.00 0.00 C ATOM 712 O PRO A 48 1.164 -7.894 -2.659 1.00 0.00 O ATOM 713 CB PRO A 48 2.148 -5.506 -4.648 1.00 0.00 C ATOM 714 CG PRO A 48 0.713 -5.115 -4.711 1.00 0.00 C ATOM 715 CD PRO A 48 0.026 -6.179 -5.522 1.00 0.00 C ATOM 0 HA PRO A 48 3.002 -7.458 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.621 -5.129 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.706 -5.099 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.283 -5.048 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.596 -4.135 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.990 -6.356 -5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.045 -5.898 -6.573 1.00 0.00 H new ATOM 723 N ASP A 49 3.405 -7.758 -2.729 1.00 0.00 N ATOM 724 CA ASP A 49 3.582 -8.302 -1.387 1.00 0.00 C ATOM 725 C ASP A 49 3.354 -7.237 -0.318 1.00 0.00 C ATOM 726 O ASP A 49 2.997 -7.554 0.816 1.00 0.00 O ATOM 727 CB ASP A 49 4.979 -8.905 -1.237 1.00 0.00 C ATOM 728 CG ASP A 49 5.075 -10.292 -1.841 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.526 -11.240 -1.241 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.698 -10.430 -2.916 1.00 0.00 O ATOM 0 H ASP A 49 4.274 -7.518 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 49 2.837 -9.085 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.708 -8.251 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.240 -8.953 -0.180 1.00 0.00 H new ATOM 735 N VAL A 50 3.567 -5.977 -0.678 1.00 0.00 N ATOM 736 CA VAL A 50 3.388 -4.878 0.261 1.00 0.00 C ATOM 737 C VAL A 50 2.914 -3.614 -0.455 1.00 0.00 C ATOM 738 O VAL A 50 3.717 -2.880 -1.032 1.00 0.00 O ATOM 739 CB VAL A 50 4.700 -4.579 1.008 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.809 -4.268 0.018 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.511 -3.435 1.994 1.00 0.00 C ATOM 0 H VAL A 50 3.863 -5.692 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 50 2.627 -5.183 0.979 1.00 0.00 H new ATOM 0 HB VAL A 50 4.986 -5.464 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.732 -4.058 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.961 -5.124 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.532 -3.398 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.451 -3.241 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.201 -2.539 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.746 -3.705 2.722 1.00 0.00 H new ATOM 751 N LEU A 51 1.607 -3.368 -0.424 1.00 0.00 N ATOM 752 CA LEU A 51 1.042 -2.194 -1.077 1.00 0.00 C ATOM 753 C LEU A 51 1.060 -0.969 -0.166 1.00 0.00 C ATOM 754 O LEU A 51 1.025 -1.089 1.058 1.00 0.00 O ATOM 755 CB LEU A 51 -0.384 -2.481 -1.556 1.00 0.00 C ATOM 756 CG LEU A 51 -0.966 -1.451 -2.529 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.056 -1.278 -3.735 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.361 -1.866 -2.975 1.00 0.00 C ATOM 0 H LEU A 51 0.924 -3.963 0.044 1.00 0.00 H new ATOM 0 HA LEU A 51 1.669 -1.969 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.399 -3.459 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.037 -2.544 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.037 -0.495 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.487 -0.542 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.925 -0.936 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.048 -2.232 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.758 -1.122 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.311 -2.834 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.014 -1.939 -2.106 1.00 0.00 H new ATOM 770 N LEU A 52 1.111 0.209 -0.783 1.00 0.00 N ATOM 771 CA LEU A 52 1.135 1.473 -0.052 1.00 0.00 C ATOM 772 C LEU A 52 0.163 2.465 -0.688 1.00 0.00 C ATOM 773 O LEU A 52 0.365 2.880 -1.822 1.00 0.00 O ATOM 774 CB LEU A 52 2.553 2.047 -0.087 1.00 0.00 C ATOM 775 CG LEU A 52 3.017 2.763 1.180 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.480 3.162 1.051 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.153 3.986 1.450 1.00 0.00 C ATOM 0 H LEU A 52 1.137 0.314 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 52 0.834 1.298 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.248 1.234 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.620 2.746 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 52 2.914 2.080 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.800 3.672 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.089 2.270 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.601 3.831 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.499 4.483 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.225 4.675 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.116 3.677 1.579 1.00 0.00 H new ATOM 789 N SER A 53 -0.891 2.840 0.036 1.00 0.00 N ATOM 790 CA SER A 53 -1.882 3.778 -0.498 1.00 0.00 C ATOM 791 C SER A 53 -1.899 5.095 0.280 1.00 0.00 C ATOM 792 O SER A 53 -1.834 5.106 1.509 1.00 0.00 O ATOM 793 CB SER A 53 -3.273 3.141 -0.482 1.00 0.00 C ATOM 794 OG SER A 53 -4.194 3.908 -1.235 1.00 0.00 O ATOM 0 H SER A 53 -1.081 2.514 0.984 1.00 0.00 H new ATOM 0 HA SER A 53 -1.598 4.005 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.218 2.131 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.624 3.052 0.546 1.00 0.00 H new ATOM 0 HG SER A 53 -3.712 4.424 -1.914 1.00 0.00 H new ATOM 800 N ASP A 54 -1.977 6.204 -0.457 1.00 0.00 N ATOM 801 CA ASP A 54 -1.990 7.540 0.146 1.00 0.00 C ATOM 802 C ASP A 54 -3.384 7.954 0.626 1.00 0.00 C ATOM 803 O ASP A 54 -3.570 9.076 1.094 1.00 0.00 O ATOM 804 CB ASP A 54 -1.466 8.573 -0.851 1.00 0.00 C ATOM 805 CG ASP A 54 -1.258 9.936 -0.216 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.235 10.712 -0.138 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.118 10.228 0.202 1.00 0.00 O ATOM 0 H ASP A 54 -2.032 6.204 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.340 7.499 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.523 8.223 -1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.169 8.664 -1.679 1.00 0.00 H new ATOM 812 N ILE A 55 -4.353 7.047 0.525 1.00 0.00 N ATOM 813 CA ILE A 55 -5.726 7.316 0.966 1.00 0.00 C ATOM 814 C ILE A 55 -6.206 8.719 0.577 1.00 0.00 C ATOM 815 O ILE A 55 -6.175 9.638 1.393 1.00 0.00 O ATOM 816 CB ILE A 55 -5.858 7.137 2.498 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.227 7.591 3.011 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.762 7.898 3.219 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.553 7.072 4.395 1.00 0.00 C ATOM 0 H ILE A 55 -4.214 6.113 0.140 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.359 6.591 0.454 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.757 6.072 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.259 8.680 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.997 7.257 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.871 7.761 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.789 7.523 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.837 8.959 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.537 7.432 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.553 5.982 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.804 7.428 5.103 1.00 0.00 H new ATOM 831 N ARG A 56 -6.671 8.869 -0.664 1.00 0.00 N ATOM 832 CA ARG A 56 -7.177 10.156 -1.145 1.00 0.00 C ATOM 833 C ARG A 56 -7.536 10.094 -2.628 1.00 0.00 C ATOM 834 O ARG A 56 -6.951 10.805 -3.445 1.00 0.00 O ATOM 835 CB ARG A 56 -6.150 11.270 -0.912 1.00 0.00 C ATOM 836 CG ARG A 56 -6.685 12.658 -1.231 1.00 0.00 C ATOM 837 CD ARG A 56 -5.645 13.735 -0.965 1.00 0.00 C ATOM 838 NE ARG A 56 -5.009 14.202 -2.197 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.338 15.331 -2.823 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.296 16.114 -2.341 1.00 0.00 N ATOM 841 NH2 ARG A 56 -4.707 15.682 -3.937 1.00 0.00 N ATOM 0 H ARG A 56 -6.708 8.118 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.080 10.379 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.825 11.244 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.270 11.078 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.992 12.699 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.573 12.853 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.117 14.577 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.884 13.344 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.269 13.628 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.786 15.853 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.542 16.977 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.969 15.087 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.960 16.547 -4.415 1.00 0.00 H new ATOM 855 N MET A 57 -8.502 9.246 -2.977 1.00 0.00 N ATOM 856 CA MET A 57 -8.918 9.121 -4.368 1.00 0.00 C ATOM 857 C MET A 57 -10.277 8.424 -4.520 1.00 0.00 C ATOM 858 O MET A 57 -11.218 9.018 -5.047 1.00 0.00 O ATOM 859 CB MET A 57 -7.845 8.394 -5.171 1.00 0.00 C ATOM 860 CG MET A 57 -8.132 8.330 -6.659 1.00 0.00 C ATOM 861 SD MET A 57 -8.129 9.957 -7.432 1.00 0.00 S ATOM 862 CE MET A 57 -9.729 9.947 -8.235 1.00 0.00 C ATOM 0 H MET A 57 -9.004 8.644 -2.324 1.00 0.00 H new ATOM 0 HA MET A 57 -9.042 10.130 -4.761 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.888 8.893 -5.016 1.00 0.00 H new ATOM 0 HB3 MET A 57 -7.742 7.379 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.386 7.700 -7.143 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.101 7.857 -6.819 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.879 10.891 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.773 9.124 -8.948 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.511 9.820 -7.486 1.00 0.00 H new ATOM 872 N PRO A 58 -10.408 7.157 -4.077 1.00 0.00 N ATOM 873 CA PRO A 58 -11.668 6.408 -4.193 1.00 0.00 C ATOM 874 C PRO A 58 -12.832 7.107 -3.498 1.00 0.00 C ATOM 875 O PRO A 58 -12.663 8.168 -2.897 1.00 0.00 O ATOM 876 CB PRO A 58 -11.364 5.069 -3.505 1.00 0.00 C ATOM 877 CG PRO A 58 -10.156 5.331 -2.675 1.00 0.00 C ATOM 878 CD PRO A 58 -9.357 6.345 -3.440 1.00 0.00 C ATOM 0 HA PRO A 58 -11.977 6.307 -5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.202 4.741 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.178 4.282 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.431 5.709 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.583 4.418 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.723 6.942 -2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.703 5.877 -4.176 1.00 0.00 H new ATOM 886 N GLY A 59 -14.015 6.500 -3.581 1.00 0.00 N ATOM 887 CA GLY A 59 -15.194 7.072 -2.953 1.00 0.00 C ATOM 888 C GLY A 59 -14.960 7.405 -1.494 1.00 0.00 C ATOM 889 O GLY A 59 -14.979 8.573 -1.105 1.00 0.00 O ATOM 0 H GLY A 59 -14.177 5.621 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.486 7.976 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.024 6.370 -3.035 1.00 0.00 H new ATOM 893 N MET A 60 -14.723 6.377 -0.688 1.00 0.00 N ATOM 894 CA MET A 60 -14.463 6.560 0.736 1.00 0.00 C ATOM 895 C MET A 60 -13.074 7.161 0.943 1.00 0.00 C ATOM 896 O MET A 60 -12.226 6.582 1.630 1.00 0.00 O ATOM 897 CB MET A 60 -14.570 5.223 1.471 1.00 0.00 C ATOM 898 CG MET A 60 -14.644 5.363 2.981 1.00 0.00 C ATOM 899 SD MET A 60 -16.339 5.394 3.594 1.00 0.00 S ATOM 900 CE MET A 60 -16.578 7.151 3.846 1.00 0.00 C ATOM 0 H MET A 60 -14.705 5.405 -0.997 1.00 0.00 H new ATOM 0 HA MET A 60 -15.209 7.244 1.142 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.456 4.695 1.120 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.709 4.607 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.109 4.535 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.136 6.279 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.462 7.313 4.463 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.704 7.569 4.346 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.714 7.642 2.882 1.00 0.00 H new ATOM 910 N ASP A 61 -12.850 8.322 0.332 1.00 0.00 N ATOM 911 CA ASP A 61 -11.572 9.007 0.428 1.00 0.00 C ATOM 912 C ASP A 61 -10.456 8.120 -0.114 1.00 0.00 C ATOM 913 O ASP A 61 -10.045 8.255 -1.264 1.00 0.00 O ATOM 914 CB ASP A 61 -11.287 9.399 1.877 1.00 0.00 C ATOM 915 CG ASP A 61 -11.366 10.898 2.096 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.799 11.648 1.275 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.995 11.321 3.089 1.00 0.00 O ATOM 0 H ASP A 61 -13.544 8.807 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.616 9.915 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.001 8.901 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.295 9.045 2.158 1.00 0.00 H new ATOM 922 N GLY A 62 -9.981 7.206 0.721 1.00 0.00 N ATOM 923 CA GLY A 62 -8.929 6.305 0.310 1.00 0.00 C ATOM 924 C GLY A 62 -9.122 4.902 0.848 1.00 0.00 C ATOM 925 O GLY A 62 -8.732 3.928 0.202 1.00 0.00 O ATOM 0 H GLY A 62 -10.308 7.074 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.890 6.271 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.969 6.693 0.652 1.00 0.00 H new ATOM 929 N LEU A 63 -9.730 4.787 2.030 1.00 0.00 N ATOM 930 CA LEU A 63 -9.963 3.475 2.621 1.00 0.00 C ATOM 931 C LEU A 63 -10.838 2.635 1.702 1.00 0.00 C ATOM 932 O LEU A 63 -10.783 1.407 1.730 1.00 0.00 O ATOM 933 CB LEU A 63 -10.616 3.560 4.006 1.00 0.00 C ATOM 934 CG LEU A 63 -10.132 4.685 4.922 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.988 5.925 4.725 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.158 4.239 6.382 1.00 0.00 C ATOM 0 H LEU A 63 -10.064 5.574 2.586 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.987 3.007 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.692 3.670 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.455 2.611 4.517 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.102 4.928 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.634 6.719 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.919 6.254 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.026 5.692 4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.810 5.053 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.176 3.970 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.506 3.375 6.510 1.00 0.00 H new ATOM 948 N ALA A 64 -11.639 3.299 0.874 1.00 0.00 N ATOM 949 CA ALA A 64 -12.506 2.595 -0.057 1.00 0.00 C ATOM 950 C ALA A 64 -11.687 1.635 -0.903 1.00 0.00 C ATOM 951 O ALA A 64 -12.148 0.550 -1.253 1.00 0.00 O ATOM 952 CB ALA A 64 -13.257 3.577 -0.941 1.00 0.00 C ATOM 0 H ALA A 64 -11.704 4.316 0.831 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.240 2.025 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.900 3.029 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.867 4.233 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.544 4.175 -1.508 1.00 0.00 H new ATOM 958 N LEU A 65 -10.456 2.037 -1.207 1.00 0.00 N ATOM 959 CA LEU A 65 -9.557 1.205 -1.991 1.00 0.00 C ATOM 960 C LEU A 65 -9.379 -0.144 -1.312 1.00 0.00 C ATOM 961 O LEU A 65 -9.299 -1.178 -1.971 1.00 0.00 O ATOM 962 CB LEU A 65 -8.197 1.887 -2.152 1.00 0.00 C ATOM 963 CG LEU A 65 -7.157 1.070 -2.922 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.502 1.032 -4.401 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.764 1.640 -2.707 1.00 0.00 C ATOM 0 H LEU A 65 -10.061 2.933 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.992 1.058 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.342 2.839 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.800 2.114 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.168 0.049 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.753 0.447 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.482 0.574 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.519 2.047 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.038 1.046 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.734 2.671 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.519 1.612 -1.645 1.00 0.00 H new ATOM 977 N LEU A 66 -9.338 -0.118 0.016 1.00 0.00 N ATOM 978 CA LEU A 66 -9.188 -1.335 0.802 1.00 0.00 C ATOM 979 C LEU A 66 -10.401 -2.233 0.601 1.00 0.00 C ATOM 980 O LEU A 66 -10.270 -3.442 0.405 1.00 0.00 O ATOM 981 CB LEU A 66 -9.030 -1.001 2.290 1.00 0.00 C ATOM 982 CG LEU A 66 -7.629 -0.550 2.721 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.578 -1.546 2.250 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.322 0.846 2.193 1.00 0.00 C ATOM 0 H LEU A 66 -9.407 0.735 0.571 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.292 -1.857 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.740 -0.215 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.305 -1.880 2.873 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.604 -0.513 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.590 -1.209 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.783 -2.524 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.607 -1.619 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.323 1.144 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.369 0.842 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.054 1.552 2.585 1.00 0.00 H new ATOM 996 N LYS A 67 -11.584 -1.624 0.643 1.00 0.00 N ATOM 997 CA LYS A 67 -12.835 -2.353 0.460 1.00 0.00 C ATOM 998 C LYS A 67 -12.846 -3.085 -0.877 1.00 0.00 C ATOM 999 O LYS A 67 -13.279 -4.228 -0.967 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.023 -1.394 0.525 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.287 -2.032 1.081 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.527 -1.220 0.736 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.283 -1.825 -0.437 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.678 -0.794 -1.437 1.00 0.00 N ATOM 0 H LYS A 67 -11.702 -0.623 0.803 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.917 -3.085 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.755 -0.538 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.228 -1.013 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.391 -3.041 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.202 -2.124 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.183 -1.169 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.238 -0.197 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.661 -2.579 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.174 -2.335 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.191 -1.248 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.293 -0.088 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.827 -0.325 -1.807 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.367 -2.417 -1.915 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.321 -3.011 -3.244 1.00 0.00 C ATOM 1020 C GLN A 68 -11.361 -4.197 -3.266 1.00 0.00 C ATOM 1021 O GLN A 68 -11.599 -5.195 -3.944 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.880 -1.974 -4.281 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.608 -0.642 -4.177 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.030 -0.709 -4.695 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.982 -0.805 -3.920 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.180 -0.655 -6.012 1.00 0.00 N ATOM 0 H GLN A 68 -12.005 -1.465 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.323 -3.359 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.809 -1.800 -4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.037 -2.384 -5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.620 -0.320 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.057 0.113 -4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.362 -0.575 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.114 -0.693 -6.421 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.268 -4.070 -2.522 1.00 0.00 N ATOM 1036 CA ILE A 69 -9.254 -5.118 -2.455 1.00 0.00 C ATOM 1037 C ILE A 69 -9.812 -6.420 -1.893 1.00 0.00 C ATOM 1038 O ILE A 69 -9.473 -7.507 -2.363 1.00 0.00 O ATOM 1039 CB ILE A 69 -8.048 -4.660 -1.607 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.389 -3.438 -2.253 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -7.036 -5.787 -1.443 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.534 -2.631 -1.299 1.00 0.00 C ATOM 0 H ILE A 69 -10.060 -3.248 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.926 -5.306 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.408 -4.386 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.772 -3.768 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.165 -2.793 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.197 -5.438 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.511 -6.633 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.675 -6.098 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.101 -1.782 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.150 -2.269 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.735 -3.260 -0.906 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.659 -6.306 -0.887 1.00 0.00 N ATOM 1055 CA LYS A 70 -11.258 -7.477 -0.256 1.00 0.00 C ATOM 1056 C LYS A 70 -12.305 -8.116 -1.159 1.00 0.00 C ATOM 1057 O LYS A 70 -12.559 -9.318 -1.080 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.895 -7.098 1.084 1.00 0.00 C ATOM 1059 CG LYS A 70 -13.135 -6.234 0.943 1.00 0.00 C ATOM 1060 CD LYS A 70 -14.415 -7.044 1.070 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.595 -6.161 1.448 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.901 -6.813 1.151 1.00 0.00 N ATOM 0 H LYS A 70 -10.951 -5.415 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.462 -8.201 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.156 -8.008 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.160 -6.568 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.122 -5.455 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.119 -5.733 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.623 -7.548 0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.283 -7.820 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.543 -5.922 2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.530 -5.218 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.676 -6.157 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.942 -7.064 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.998 -7.674 1.726 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.915 -7.299 -2.005 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.947 -7.772 -2.915 1.00 0.00 C ATOM 1078 C GLN A 71 -13.347 -8.464 -4.130 1.00 0.00 C ATOM 1079 O GLN A 71 -13.872 -9.466 -4.613 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.832 -6.605 -3.363 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.913 -6.239 -2.358 1.00 0.00 C ATOM 1082 CD GLN A 71 -16.399 -4.813 -2.529 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.472 -3.866 -2.479 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -17.593 -4.567 -2.700 1.00 0.00 N flip ATOM 0 H GLN A 71 -12.712 -6.302 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.554 -8.501 -2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.204 -5.732 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.302 -6.860 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.755 -6.923 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.526 -6.370 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -18.271 -5.328 -2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.904 -3.602 -2.810 1.00 0.00 H new ATOM 1093 N ARG A 72 -12.254 -7.909 -4.627 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.583 -8.457 -5.801 1.00 0.00 C ATOM 1095 C ARG A 72 -10.421 -9.362 -5.419 1.00 0.00 C ATOM 1096 O ARG A 72 -10.406 -10.548 -5.747 1.00 0.00 O ATOM 1097 CB ARG A 72 -11.089 -7.321 -6.701 1.00 0.00 C ATOM 1098 CG ARG A 72 -12.194 -6.669 -7.521 1.00 0.00 C ATOM 1099 CD ARG A 72 -12.553 -5.292 -6.986 1.00 0.00 C ATOM 1100 NE ARG A 72 -13.991 -5.037 -7.048 1.00 0.00 N ATOM 1101 CZ ARG A 72 -14.667 -4.879 -8.183 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -14.043 -4.962 -9.353 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -15.970 -4.640 -8.150 1.00 0.00 N ATOM 0 H ARG A 72 -11.810 -7.078 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.309 -9.063 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.610 -6.561 -6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.327 -7.709 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.875 -6.584 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -13.079 -7.306 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.214 -5.205 -5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.025 -4.531 -7.561 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.506 -4.977 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.041 -5.148 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.566 -4.840 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.454 -4.577 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.488 -4.519 -9.020 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.446 -8.786 -4.742 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.255 -9.521 -4.321 1.00 0.00 C ATOM 1119 C HIS A 73 -8.506 -10.303 -3.032 1.00 0.00 C ATOM 1120 O HIS A 73 -9.420 -9.986 -2.269 1.00 0.00 O ATOM 1121 CB HIS A 73 -7.086 -8.551 -4.149 1.00 0.00 C ATOM 1122 CG HIS A 73 -7.150 -7.397 -5.098 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -7.110 -6.064 -4.879 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -7.315 -7.554 -6.458 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -7.251 -5.445 -6.096 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -7.374 -6.368 -7.032 1.00 0.00 N flip ATOM 0 H HIS A 73 -9.450 -7.804 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 73 -8.006 -10.247 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.079 -8.175 -3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.149 -9.087 -4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.385 -8.501 -6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.260 -4.378 -6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.494 -6.193 -8.030 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.698 -11.349 -2.781 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.843 -12.192 -1.589 1.00 0.00 C ATOM 1137 C PRO A 74 -7.492 -11.460 -0.295 1.00 0.00 C ATOM 1138 O PRO A 74 -8.379 -11.073 0.466 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.871 -13.351 -1.838 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.883 -12.836 -2.829 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.595 -11.798 -3.651 1.00 0.00 C ATOM 0 HA PRO A 74 -8.876 -12.512 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.378 -13.655 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.394 -14.226 -2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.019 -12.404 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.513 -13.643 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.932 -10.973 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.969 -12.216 -4.586 1.00 0.00 H new ATOM 1149 N MET A 75 -6.199 -11.278 -0.041 1.00 0.00 N ATOM 1150 CA MET A 75 -5.753 -10.599 1.168 1.00 0.00 C ATOM 1151 C MET A 75 -4.497 -9.778 0.905 1.00 0.00 C ATOM 1152 O MET A 75 -3.474 -9.955 1.565 1.00 0.00 O ATOM 1153 CB MET A 75 -5.494 -11.613 2.284 1.00 0.00 C ATOM 1154 CG MET A 75 -6.763 -12.189 2.892 1.00 0.00 C ATOM 1155 SD MET A 75 -6.478 -13.753 3.743 1.00 0.00 S ATOM 1156 CE MET A 75 -6.064 -14.819 2.364 1.00 0.00 C ATOM 0 H MET A 75 -5.446 -11.590 -0.654 1.00 0.00 H new ATOM 0 HA MET A 75 -6.545 -9.919 1.483 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.888 -12.428 1.889 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.910 -11.134 3.070 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.184 -11.469 3.594 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.503 -12.337 2.106 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.291 -15.853 2.623 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.647 -14.527 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.002 -14.726 2.139 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.585 -8.878 -0.063 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.459 -8.027 -0.418 1.00 0.00 C ATOM 1168 C LEU A 76 -3.127 -7.050 0.713 1.00 0.00 C ATOM 1169 O LEU A 76 -3.908 -6.144 1.004 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.768 -7.255 -1.706 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.860 -6.061 -1.987 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.466 -6.541 -2.355 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -3.447 -5.202 -3.095 1.00 0.00 C ATOM 0 H LEU A 76 -5.426 -8.718 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.590 -8.665 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.704 -7.945 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.799 -6.903 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.787 -5.451 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.826 -5.681 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.051 -7.120 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.520 -7.167 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.789 -4.354 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.544 -5.796 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.429 -4.839 -2.792 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.956 -7.210 1.359 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.529 -6.323 2.445 1.00 0.00 C ATOM 1187 C PRO A 77 -1.242 -4.915 1.940 1.00 0.00 C ATOM 1188 O PRO A 77 -0.368 -4.717 1.096 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.249 -6.976 2.969 1.00 0.00 C ATOM 1190 CG PRO A 77 0.262 -7.780 1.824 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.953 -8.254 1.074 1.00 0.00 C ATOM 0 HA PRO A 77 -2.298 -6.210 3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.478 -6.227 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.452 -7.605 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.907 -7.179 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.858 -8.623 2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.757 -8.343 0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.283 -9.234 1.420 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.988 -3.942 2.450 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.817 -2.558 2.034 1.00 0.00 C ATOM 1201 C VAL A 78 -1.458 -1.660 3.207 1.00 0.00 C ATOM 1202 O VAL A 78 -1.880 -1.895 4.341 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.092 -2.002 1.376 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.802 -0.675 0.694 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.674 -3.002 0.389 1.00 0.00 C ATOM 0 H VAL A 78 -2.715 -4.087 3.151 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.002 -2.559 1.311 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.834 -1.832 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.714 -0.295 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.442 0.042 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.041 -0.819 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.574 -2.586 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.941 -3.213 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.924 -3.925 0.911 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.690 -0.617 2.923 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.288 0.334 3.944 1.00 0.00 C ATOM 1217 C ILE A 79 -0.844 1.710 3.624 1.00 0.00 C ATOM 1218 O ILE A 79 -0.469 2.328 2.629 1.00 0.00 O ATOM 1219 CB ILE A 79 1.241 0.432 4.073 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.878 -0.955 4.030 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.611 1.139 5.363 1.00 0.00 C ATOM 1222 CD1 ILE A 79 3.164 -0.996 3.240 1.00 0.00 C ATOM 0 H ILE A 79 -0.333 -0.410 1.990 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.689 -0.026 4.892 1.00 0.00 H new ATOM 0 HB ILE A 79 1.621 1.009 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.074 -1.289 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.169 -1.660 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.696 1.203 5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.187 2.143 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.216 0.579 6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.564 -2.010 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.969 -0.692 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.888 -0.316 3.688 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.750 2.180 4.463 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.369 3.475 4.252 1.00 0.00 C ATOM 1236 C ILE A 80 -1.625 4.568 5.007 1.00 0.00 C ATOM 1237 O ILE A 80 -1.261 4.396 6.168 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.836 3.466 4.702 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.548 2.202 4.207 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.541 4.709 4.197 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.489 2.019 2.706 1.00 0.00 C ATOM 0 H ILE A 80 -2.072 1.685 5.295 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.322 3.682 3.183 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.866 3.464 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.101 1.332 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.592 2.238 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.582 4.694 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.049 5.595 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.500 4.733 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.014 1.104 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.962 2.870 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.449 1.950 2.388 1.00 0.00 H new ATOM 1253 N MET A 81 -1.398 5.692 4.340 1.00 0.00 N ATOM 1254 CA MET A 81 -0.695 6.804 4.956 1.00 0.00 C ATOM 1255 C MET A 81 -1.588 7.506 5.986 1.00 0.00 C ATOM 1256 O MET A 81 -1.227 7.646 7.150 1.00 0.00 O ATOM 1257 CB MET A 81 -0.211 7.778 3.879 1.00 0.00 C ATOM 1258 CG MET A 81 0.102 9.177 4.387 1.00 0.00 C ATOM 1259 SD MET A 81 -0.309 10.448 3.185 1.00 0.00 S ATOM 1260 CE MET A 81 -0.979 11.713 4.261 1.00 0.00 C ATOM 0 H MET A 81 -1.690 5.855 3.376 1.00 0.00 H new ATOM 0 HA MET A 81 0.177 6.422 5.486 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.683 7.367 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.973 7.849 3.103 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.452 9.359 5.308 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.162 9.243 4.634 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.957 12.022 3.893 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.080 11.316 5.271 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.308 12.572 4.274 1.00 0.00 H new ATOM 1270 N THR A 82 -2.760 7.941 5.554 1.00 0.00 N ATOM 1271 CA THR A 82 -3.688 8.621 6.451 1.00 0.00 C ATOM 1272 C THR A 82 -4.856 7.708 6.802 1.00 0.00 C ATOM 1273 O THR A 82 -5.164 6.775 6.068 1.00 0.00 O ATOM 1274 CB THR A 82 -4.233 9.897 5.811 1.00 0.00 C ATOM 1275 OG1 THR A 82 -3.229 10.569 5.078 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.779 10.871 6.832 1.00 0.00 C ATOM 0 H THR A 82 -3.093 7.838 4.595 1.00 0.00 H new ATOM 0 HA THR A 82 -3.139 8.881 7.356 1.00 0.00 H new ATOM 0 HB THR A 82 -5.040 9.572 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.417 10.492 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.153 11.760 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.592 10.400 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.986 11.156 7.524 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.509 7.990 7.920 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.651 7.197 8.353 1.00 0.00 C ATOM 1286 C ALA A 83 -7.891 8.071 8.494 1.00 0.00 C ATOM 1287 O ALA A 83 -8.697 7.882 9.405 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.341 6.489 9.664 1.00 0.00 C ATOM 0 H ALA A 83 -5.268 8.761 8.543 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.852 6.442 7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.205 5.901 9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.484 5.830 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.112 7.228 10.431 1.00 0.00 H new ATOM 1294 N HIS A 84 -8.037 9.036 7.586 1.00 0.00 N ATOM 1295 CA HIS A 84 -9.177 9.945 7.617 1.00 0.00 C ATOM 1296 C HIS A 84 -10.413 9.303 6.984 1.00 0.00 C ATOM 1297 O HIS A 84 -10.413 8.116 6.662 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.835 11.269 6.918 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.411 11.130 5.486 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.275 11.515 4.854 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.213 10.571 4.515 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.413 11.186 3.530 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.589 10.618 3.350 1.00 0.00 N flip ATOM 0 H HIS A 84 -7.381 9.206 6.823 1.00 0.00 H new ATOM 0 HA HIS A 84 -9.407 10.157 8.661 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.705 11.923 6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.037 11.762 7.473 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.198 10.159 4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.677 11.363 2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.955 10.273 2.463 1.00 0.00 H new ATOM 1312 N SER A 85 -11.470 10.097 6.825 1.00 0.00 N ATOM 1313 CA SER A 85 -12.728 9.623 6.246 1.00 0.00 C ATOM 1314 C SER A 85 -13.504 8.762 7.239 1.00 0.00 C ATOM 1315 O SER A 85 -14.493 9.210 7.817 1.00 0.00 O ATOM 1316 CB SER A 85 -12.491 8.835 4.955 1.00 0.00 C ATOM 1317 OG SER A 85 -13.486 9.138 3.993 1.00 0.00 O ATOM 0 H SER A 85 -11.480 11.081 7.092 1.00 0.00 H new ATOM 0 HA SER A 85 -13.320 10.507 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.506 9.073 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.499 7.766 5.169 1.00 0.00 H new ATOM 0 HG SER A 85 -13.289 10.005 3.580 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.061 7.521 7.427 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.732 6.609 8.346 1.00 0.00 C ATOM 1325 C ASP A 86 -12.813 5.467 8.769 1.00 0.00 C ATOM 1326 O ASP A 86 -12.659 4.481 8.047 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.000 6.046 7.698 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.262 6.670 8.260 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.566 6.432 9.447 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.947 7.398 7.511 1.00 0.00 O ATOM 0 H ASP A 86 -12.245 7.127 6.958 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.002 7.173 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.962 6.217 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.033 4.967 7.848 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.218 5.601 9.951 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.321 4.579 10.488 1.00 0.00 C ATOM 1337 C LEU A 87 -11.938 3.185 10.375 1.00 0.00 C ATOM 1338 O LEU A 87 -11.227 2.180 10.346 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.995 4.888 11.953 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.514 4.803 12.324 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.008 3.380 12.178 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.699 5.759 11.467 1.00 0.00 C ATOM 0 H LEU A 87 -12.341 6.411 10.559 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.403 4.592 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.354 5.891 12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.552 4.197 12.586 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.399 5.096 13.368 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.952 3.340 12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.575 2.723 12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.132 3.054 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.647 5.688 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.818 5.497 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.048 6.779 11.628 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.264 3.138 10.320 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.996 1.878 10.218 1.00 0.00 C ATOM 1356 C ASP A 88 -13.421 0.972 9.132 1.00 0.00 C ATOM 1357 O ASP A 88 -13.301 -0.237 9.324 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.473 2.146 9.927 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.316 2.182 11.186 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.702 1.098 11.671 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.592 3.293 11.684 1.00 0.00 O ATOM 0 H ASP A 88 -13.860 3.965 10.345 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.894 1.367 11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.570 3.096 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.855 1.373 9.260 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.078 1.555 7.988 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.537 0.779 6.888 1.00 0.00 C ATOM 1368 C ALA A 89 -11.114 0.320 7.181 1.00 0.00 C ATOM 1369 O ALA A 89 -10.667 -0.702 6.666 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.599 1.575 5.599 1.00 0.00 C ATOM 0 H ALA A 89 -13.166 2.554 7.803 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.150 -0.115 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.189 0.979 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.636 1.829 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.017 2.490 5.708 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.411 1.070 8.024 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.042 0.719 8.393 1.00 0.00 C ATOM 1378 C ALA A 90 -9.026 -0.553 9.229 1.00 0.00 C ATOM 1379 O ALA A 90 -8.222 -1.453 8.990 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.373 1.854 9.159 1.00 0.00 C ATOM 0 H ALA A 90 -10.763 1.921 8.463 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.481 0.547 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.355 1.566 9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.348 2.748 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.937 2.061 10.068 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.922 -0.622 10.211 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.007 -1.789 11.076 1.00 0.00 C ATOM 1388 C VAL A 91 -10.494 -3.005 10.301 1.00 0.00 C ATOM 1389 O VAL A 91 -9.910 -4.085 10.391 1.00 0.00 O ATOM 1390 CB VAL A 91 -10.936 -1.556 12.278 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -10.788 -2.693 13.276 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -10.638 -0.213 12.931 1.00 0.00 C ATOM 0 H VAL A 91 -10.595 0.114 10.424 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.999 -1.969 11.450 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.968 -1.536 11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.450 -2.520 14.125 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.052 -3.635 12.796 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.756 -2.740 13.624 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.305 -0.065 13.780 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.604 -0.197 13.275 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.791 0.586 12.206 1.00 0.00 H new ATOM 1402 N SER A 92 -11.559 -2.820 9.531 1.00 0.00 N ATOM 1403 CA SER A 92 -12.112 -3.902 8.731 1.00 0.00 C ATOM 1404 C SER A 92 -11.096 -4.358 7.690 1.00 0.00 C ATOM 1405 O SER A 92 -11.060 -5.529 7.305 1.00 0.00 O ATOM 1406 CB SER A 92 -13.401 -3.453 8.038 1.00 0.00 C ATOM 1407 OG SER A 92 -13.304 -2.110 7.595 1.00 0.00 O ATOM 0 H SER A 92 -12.055 -1.933 9.445 1.00 0.00 H new ATOM 0 HA SER A 92 -12.343 -4.736 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.606 -4.105 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.240 -3.552 8.726 1.00 0.00 H new ATOM 0 HG SER A 92 -13.614 -1.509 8.304 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.264 -3.422 7.242 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.242 -3.726 6.253 1.00 0.00 C ATOM 1415 C ALA A 93 -8.301 -4.806 6.767 1.00 0.00 C ATOM 1416 O ALA A 93 -7.870 -5.680 6.019 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.473 -2.470 5.878 1.00 0.00 C ATOM 0 H ALA A 93 -10.280 -2.449 7.549 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.732 -4.105 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.713 -2.717 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.160 -1.733 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.994 -2.058 6.766 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.002 -4.756 8.054 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.132 -5.753 8.665 1.00 0.00 C ATOM 1425 C TYR A 94 -7.727 -7.143 8.487 1.00 0.00 C ATOM 1426 O TYR A 94 -7.019 -8.149 8.540 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.937 -5.456 10.151 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.425 -4.062 10.422 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.316 -3.570 9.751 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.055 -3.237 11.343 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.846 -2.294 9.990 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.591 -1.958 11.588 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.486 -1.492 10.910 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.023 -0.216 11.146 1.00 0.00 O ATOM 0 H TYR A 94 -8.345 -4.041 8.695 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.161 -5.714 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.886 -5.593 10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.238 -6.180 10.570 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.811 -4.195 9.029 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.921 -3.600 11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.981 -1.926 9.458 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.092 -1.327 12.307 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.586 0.217 11.821 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.037 -7.185 8.267 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.740 -8.443 8.069 1.00 0.00 C ATOM 1446 C GLN A 95 -9.474 -8.976 6.665 1.00 0.00 C ATOM 1447 O GLN A 95 -9.251 -10.172 6.472 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.250 -8.260 8.327 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.121 -8.185 7.072 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.250 -7.184 7.194 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.431 -6.375 6.155 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -13.951 -7.138 8.204 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.633 -6.358 8.222 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.368 -9.177 8.784 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.600 -9.088 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.395 -7.348 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.497 -7.918 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.538 -9.171 6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.774 -7.780 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.709 -6.458 8.268 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.500 -8.074 5.688 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.262 -8.448 4.305 1.00 0.00 C ATOM 1463 C GLN A 96 -7.777 -8.689 4.050 1.00 0.00 C ATOM 1464 O GLN A 96 -7.411 -9.335 3.075 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.802 -7.374 3.359 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.049 -6.055 3.420 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.192 -5.813 2.196 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.699 -6.753 1.572 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -8.008 -4.546 1.847 1.00 0.00 N ATOM 0 H GLN A 96 -9.684 -7.081 5.832 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.793 -9.380 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.766 -7.753 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.851 -7.192 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.763 -5.238 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.418 -6.043 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.436 -3.799 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.438 -4.319 1.032 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.925 -8.184 4.942 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.494 -8.381 4.790 1.00 0.00 C ATOM 1480 C GLY A 97 -4.687 -7.096 4.880 1.00 0.00 C ATOM 1481 O GLY A 97 -3.491 -7.100 4.602 1.00 0.00 O ATOM 0 H GLY A 97 -7.200 -7.645 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.148 -9.072 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.302 -8.854 3.827 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.329 -5.996 5.267 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.636 -4.712 5.385 1.00 0.00 C ATOM 1487 C ALA A 98 -3.413 -4.820 6.289 1.00 0.00 C ATOM 1488 O ALA A 98 -3.397 -5.610 7.233 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.585 -3.650 5.906 1.00 0.00 C ATOM 0 H ALA A 98 -6.321 -5.966 5.503 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.291 -4.425 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.057 -2.700 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.423 -3.541 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.958 -3.945 6.887 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.382 -4.035 5.986 1.00 0.00 N ATOM 1496 CA PHE A 99 -1.154 -4.061 6.765 1.00 0.00 C ATOM 1497 C PHE A 99 -1.205 -3.125 7.975 1.00 0.00 C ATOM 1498 O PHE A 99 -0.965 -3.556 9.103 1.00 0.00 O ATOM 1499 CB PHE A 99 0.042 -3.704 5.886 1.00 0.00 C ATOM 1500 CG PHE A 99 1.355 -3.947 6.566 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.848 -5.234 6.703 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.089 -2.893 7.080 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.050 -5.464 7.340 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.293 -3.118 7.716 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.774 -4.404 7.848 1.00 0.00 C ATOM 0 H PHE A 99 -2.376 -3.376 5.208 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.043 -5.077 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.000 -4.289 4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.024 -2.655 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.285 -6.067 6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.716 -1.884 6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.424 -6.472 7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.859 -2.287 8.110 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.715 -4.581 8.348 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.515 -1.846 7.741 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.588 -0.856 8.825 1.00 0.00 C ATOM 1517 C ASP A 100 -1.753 0.562 8.272 1.00 0.00 C ATOM 1518 O ASP A 100 -2.015 0.749 7.083 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.340 -0.928 9.719 1.00 0.00 C ATOM 1520 CG ASP A 100 0.946 -0.706 8.953 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.933 0.090 7.995 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.968 -1.327 9.315 1.00 0.00 O ATOM 0 H ASP A 100 -1.719 -1.471 6.815 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.465 -1.095 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.421 -0.180 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.304 -1.903 10.206 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.597 1.559 9.146 1.00 0.00 N ATOM 1528 CA TYR A 101 -1.728 2.962 8.752 1.00 0.00 C ATOM 1529 C TYR A 101 -0.526 3.777 9.253 1.00 0.00 C ATOM 1530 O TYR A 101 -0.106 3.629 10.399 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.035 3.552 9.302 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.231 3.362 8.387 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -4.801 2.108 8.198 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.787 4.440 7.707 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -5.885 1.934 7.358 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.874 4.269 6.867 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.416 3.017 6.696 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.494 2.846 5.858 1.00 0.00 O ATOM 0 H TYR A 101 -1.379 1.419 10.133 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.752 3.012 7.663 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.252 3.092 10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.893 4.618 9.481 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.390 1.255 8.717 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.364 5.425 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.313 0.952 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.295 5.117 6.347 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.754 1.901 5.848 1.00 0.00 H new ATOM 1548 N LEU A 102 0.027 4.628 8.385 1.00 0.00 N ATOM 1549 CA LEU A 102 1.185 5.456 8.745 1.00 0.00 C ATOM 1550 C LEU A 102 1.011 6.889 8.215 1.00 0.00 C ATOM 1551 O LEU A 102 0.932 7.096 7.012 1.00 0.00 O ATOM 1552 CB LEU A 102 2.455 4.809 8.166 1.00 0.00 C ATOM 1553 CG LEU A 102 3.711 5.691 8.123 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.771 5.160 9.076 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.264 5.754 6.710 1.00 0.00 C ATOM 0 H LEU A 102 -0.306 4.763 7.430 1.00 0.00 H new ATOM 0 HA LEU A 102 1.271 5.515 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.683 3.919 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.237 4.476 7.151 1.00 0.00 H new ATOM 0 HG LEU A 102 3.434 6.697 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.653 5.798 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.377 5.156 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.043 4.144 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.154 6.383 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.524 4.750 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.511 6.175 6.043 1.00 0.00 H new ATOM 1567 N PRO A 103 0.950 7.897 9.115 1.00 0.00 N ATOM 1568 CA PRO A 103 0.768 9.316 8.743 1.00 0.00 C ATOM 1569 C PRO A 103 1.524 9.744 7.481 1.00 0.00 C ATOM 1570 O PRO A 103 2.315 8.978 6.933 1.00 0.00 O ATOM 1571 CB PRO A 103 1.316 10.043 9.965 1.00 0.00 C ATOM 1572 CG PRO A 103 0.983 9.148 11.109 1.00 0.00 C ATOM 1573 CD PRO A 103 1.042 7.734 10.580 1.00 0.00 C ATOM 0 HA PRO A 103 -0.272 9.533 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.391 10.201 9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.857 11.025 10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.690 9.286 11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.008 9.374 11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.969 7.238 10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.222 7.129 10.967 1.00 0.00 H new ATOM 1581 N LYS A 104 1.274 10.990 7.028 1.00 0.00 N ATOM 1582 CA LYS A 104 1.934 11.531 5.829 1.00 0.00 C ATOM 1583 C LYS A 104 3.376 11.061 5.739 1.00 0.00 C ATOM 1584 O LYS A 104 3.792 10.551 4.700 1.00 0.00 O ATOM 1585 CB LYS A 104 1.888 13.062 5.785 1.00 0.00 C ATOM 1586 CG LYS A 104 2.570 13.652 4.548 1.00 0.00 C ATOM 1587 CD LYS A 104 1.833 13.304 3.253 1.00 0.00 C ATOM 1588 CE LYS A 104 2.548 12.214 2.458 1.00 0.00 C ATOM 1589 NZ LYS A 104 1.889 11.952 1.140 1.00 0.00 N ATOM 0 H LYS A 104 0.622 11.635 7.474 1.00 0.00 H new ATOM 0 HA LYS A 104 1.379 11.151 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.848 13.388 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.367 13.459 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.627 14.736 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.594 13.283 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.821 12.974 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.741 14.199 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.584 12.508 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.567 11.294 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.455 11.267 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.937 11.566 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.817 12.841 0.605 1.00 0.00 H new ATOM 1603 N PRO A 105 4.166 11.188 6.828 1.00 0.00 N ATOM 1604 CA PRO A 105 5.545 10.722 6.818 1.00 0.00 C ATOM 1605 C PRO A 105 5.580 9.318 6.245 1.00 0.00 C ATOM 1606 O PRO A 105 4.865 8.433 6.711 1.00 0.00 O ATOM 1607 CB PRO A 105 5.961 10.738 8.299 1.00 0.00 C ATOM 1608 CG PRO A 105 4.710 11.018 9.069 1.00 0.00 C ATOM 1609 CD PRO A 105 3.794 11.750 8.132 1.00 0.00 C ATOM 0 HA PRO A 105 6.215 11.332 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.396 9.783 8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.715 11.503 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.252 10.092 9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.924 11.619 9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.745 11.572 8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.950 12.828 8.170 1.00 0.00 H new ATOM 1617 N PHE A 106 6.365 9.132 5.202 1.00 0.00 N ATOM 1618 CA PHE A 106 6.435 7.854 4.529 1.00 0.00 C ATOM 1619 C PHE A 106 7.758 7.730 3.782 1.00 0.00 C ATOM 1620 O PHE A 106 8.725 7.193 4.321 1.00 0.00 O ATOM 1621 CB PHE A 106 5.239 7.716 3.571 1.00 0.00 C ATOM 1622 CG PHE A 106 4.403 6.493 3.819 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.009 5.267 3.979 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.016 6.564 3.874 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.262 4.126 4.193 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.262 5.426 4.086 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.886 4.206 4.247 1.00 0.00 C ATOM 0 H PHE A 106 6.965 9.854 4.803 1.00 0.00 H new ATOM 0 HA PHE A 106 6.387 7.048 5.261 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.608 8.600 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.608 7.691 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.086 5.197 3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.523 7.517 3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.754 3.173 4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.185 5.491 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.298 3.316 4.415 1.00 0.00 H new ATOM 1637 N ASP A 107 7.815 8.239 2.553 1.00 0.00 N ATOM 1638 CA ASP A 107 9.041 8.177 1.762 1.00 0.00 C ATOM 1639 C ASP A 107 9.771 6.855 1.993 1.00 0.00 C ATOM 1640 O ASP A 107 9.189 5.892 2.480 1.00 0.00 O ATOM 1641 CB ASP A 107 9.954 9.360 2.104 1.00 0.00 C ATOM 1642 CG ASP A 107 10.456 9.323 3.535 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.335 8.489 3.835 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.974 10.134 4.352 1.00 0.00 O ATOM 0 H ASP A 107 7.032 8.696 2.086 1.00 0.00 H new ATOM 0 HA ASP A 107 8.772 8.236 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.807 9.363 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.412 10.291 1.938 1.00 0.00 H new ATOM 1649 N ILE A 108 11.036 6.801 1.630 1.00 0.00 N ATOM 1650 CA ILE A 108 11.814 5.585 1.800 1.00 0.00 C ATOM 1651 C ILE A 108 12.060 5.253 3.258 1.00 0.00 C ATOM 1652 O ILE A 108 11.803 4.137 3.709 1.00 0.00 O ATOM 1653 CB ILE A 108 13.134 5.658 1.005 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.841 5.349 -0.456 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.209 4.718 1.546 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.566 5.996 -0.945 1.00 0.00 C ATOM 0 H ILE A 108 11.548 7.580 1.217 1.00 0.00 H new ATOM 0 HA ILE A 108 11.220 4.767 1.394 1.00 0.00 H new ATOM 0 HB ILE A 108 13.535 6.666 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.675 5.690 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.769 4.269 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.113 4.815 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.431 4.977 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.851 3.690 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.408 5.741 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.725 5.636 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.645 7.078 -0.842 1.00 0.00 H new ATOM 1668 N ASP A 109 12.575 6.219 3.980 1.00 0.00 N ATOM 1669 CA ASP A 109 12.882 6.030 5.384 1.00 0.00 C ATOM 1670 C ASP A 109 11.694 5.445 6.144 1.00 0.00 C ATOM 1671 O ASP A 109 11.822 4.411 6.791 1.00 0.00 O ATOM 1672 CB ASP A 109 13.317 7.356 6.015 1.00 0.00 C ATOM 1673 CG ASP A 109 14.746 7.725 5.660 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.637 6.861 5.811 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.975 8.876 5.233 1.00 0.00 O ATOM 0 H ASP A 109 12.792 7.148 3.620 1.00 0.00 H new ATOM 0 HA ASP A 109 13.703 5.317 5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.647 8.150 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.221 7.288 7.099 1.00 0.00 H new ATOM 1680 N GLU A 110 10.551 6.125 6.085 1.00 0.00 N ATOM 1681 CA GLU A 110 9.362 5.683 6.800 1.00 0.00 C ATOM 1682 C GLU A 110 8.623 4.535 6.110 1.00 0.00 C ATOM 1683 O GLU A 110 8.012 3.707 6.789 1.00 0.00 O ATOM 1684 CB GLU A 110 8.409 6.863 7.033 1.00 0.00 C ATOM 1685 CG GLU A 110 9.069 8.066 7.683 1.00 0.00 C ATOM 1686 CD GLU A 110 8.899 8.078 9.188 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.858 7.586 9.671 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.806 8.579 9.884 1.00 0.00 O ATOM 0 H GLU A 110 10.426 6.984 5.549 1.00 0.00 H new ATOM 0 HA GLU A 110 9.710 5.293 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.982 7.167 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.582 6.531 7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.132 8.068 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.645 8.979 7.265 1.00 0.00 H new ATOM 1695 N ALA A 111 8.666 4.459 4.781 1.00 0.00 N ATOM 1696 CA ALA A 111 7.971 3.372 4.100 1.00 0.00 C ATOM 1697 C ALA A 111 8.836 2.125 4.055 1.00 0.00 C ATOM 1698 O ALA A 111 8.416 1.059 4.505 1.00 0.00 O ATOM 1699 CB ALA A 111 7.495 3.765 2.708 1.00 0.00 C ATOM 0 H ALA A 111 9.157 5.114 4.172 1.00 0.00 H new ATOM 0 HA ALA A 111 7.076 3.150 4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.985 2.920 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.807 4.607 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.352 4.049 2.097 1.00 0.00 H new ATOM 1705 N VAL A 112 10.055 2.254 3.534 1.00 0.00 N ATOM 1706 CA VAL A 112 10.956 1.113 3.475 1.00 0.00 C ATOM 1707 C VAL A 112 11.132 0.512 4.861 1.00 0.00 C ATOM 1708 O VAL A 112 11.299 -0.696 5.021 1.00 0.00 O ATOM 1709 CB VAL A 112 12.332 1.479 2.908 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.177 0.227 2.732 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.174 2.218 1.593 1.00 0.00 C ATOM 0 H VAL A 112 10.433 3.122 3.154 1.00 0.00 H new ATOM 0 HA VAL A 112 10.500 0.387 2.802 1.00 0.00 H new ATOM 0 HB VAL A 112 12.843 2.138 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.152 0.500 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.308 -0.262 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.678 -0.455 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.158 2.473 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.651 1.582 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.600 3.130 1.755 1.00 0.00 H new ATOM 1721 N ALA A 113 11.066 1.368 5.865 1.00 0.00 N ATOM 1722 CA ALA A 113 11.184 0.928 7.243 1.00 0.00 C ATOM 1723 C ALA A 113 10.069 -0.054 7.559 1.00 0.00 C ATOM 1724 O ALA A 113 10.298 -1.147 8.076 1.00 0.00 O ATOM 1725 CB ALA A 113 11.090 2.119 8.179 1.00 0.00 C ATOM 0 H ALA A 113 10.931 2.373 5.751 1.00 0.00 H new ATOM 0 HA ALA A 113 12.150 0.442 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.180 1.779 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.894 2.821 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.129 2.614 8.042 1.00 0.00 H new ATOM 1731 N LEU A 114 8.855 0.381 7.254 1.00 0.00 N ATOM 1732 CA LEU A 114 7.654 -0.402 7.498 1.00 0.00 C ATOM 1733 C LEU A 114 7.478 -1.543 6.492 1.00 0.00 C ATOM 1734 O LEU A 114 6.744 -2.494 6.759 1.00 0.00 O ATOM 1735 CB LEU A 114 6.435 0.523 7.467 1.00 0.00 C ATOM 1736 CG LEU A 114 5.096 -0.140 7.795 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.809 -0.070 9.289 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.972 0.515 7.008 1.00 0.00 C ATOM 0 H LEU A 114 8.675 1.291 6.829 1.00 0.00 H new ATOM 0 HA LEU A 114 7.753 -0.864 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.600 1.337 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.366 0.971 6.476 1.00 0.00 H new ATOM 0 HG LEU A 114 5.156 -1.190 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.852 -0.548 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.599 -0.585 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.771 0.973 9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.026 0.031 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.916 1.573 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.167 0.411 5.941 1.00 0.00 H new ATOM 1750 N VAL A 115 8.128 -1.448 5.334 1.00 0.00 N ATOM 1751 CA VAL A 115 7.993 -2.496 4.319 1.00 0.00 C ATOM 1752 C VAL A 115 8.861 -3.711 4.630 1.00 0.00 C ATOM 1753 O VAL A 115 8.384 -4.846 4.605 1.00 0.00 O ATOM 1754 CB VAL A 115 8.311 -1.995 2.887 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.802 -1.802 2.677 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.766 -2.968 1.855 1.00 0.00 C ATOM 0 H VAL A 115 8.741 -0.675 5.076 1.00 0.00 H new ATOM 0 HA VAL A 115 6.944 -2.789 4.352 1.00 0.00 H new ATOM 0 HB VAL A 115 7.827 -1.026 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.984 -1.450 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.177 -1.066 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.317 -2.750 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.997 -2.604 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.224 -3.946 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.685 -3.053 1.970 1.00 0.00 H new ATOM 1766 N GLU A 116 10.136 -3.471 4.913 1.00 0.00 N ATOM 1767 CA GLU A 116 11.067 -4.548 5.217 1.00 0.00 C ATOM 1768 C GLU A 116 10.583 -5.355 6.416 1.00 0.00 C ATOM 1769 O GLU A 116 10.612 -6.587 6.397 1.00 0.00 O ATOM 1770 CB GLU A 116 12.460 -3.973 5.476 1.00 0.00 C ATOM 1771 CG GLU A 116 13.105 -3.376 4.233 1.00 0.00 C ATOM 1772 CD GLU A 116 14.621 -3.400 4.292 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.200 -2.561 5.015 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.227 -4.254 3.613 1.00 0.00 O ATOM 0 H GLU A 116 10.548 -2.538 4.938 1.00 0.00 H new ATOM 0 HA GLU A 116 11.120 -5.220 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.391 -3.205 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.103 -4.760 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.771 -3.928 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.766 -2.347 4.111 1.00 0.00 H new ATOM 1781 N ARG A 117 10.123 -4.662 7.452 1.00 0.00 N ATOM 1782 CA ARG A 117 9.618 -5.328 8.645 1.00 0.00 C ATOM 1783 C ARG A 117 8.389 -6.167 8.308 1.00 0.00 C ATOM 1784 O ARG A 117 8.072 -7.133 9.002 1.00 0.00 O ATOM 1785 CB ARG A 117 9.282 -4.300 9.726 1.00 0.00 C ATOM 1786 CG ARG A 117 8.229 -3.290 9.305 1.00 0.00 C ATOM 1787 CD ARG A 117 6.833 -3.747 9.690 1.00 0.00 C ATOM 1788 NE ARG A 117 6.403 -3.177 10.964 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.485 -3.811 12.133 1.00 0.00 C ATOM 1790 NH1 ARG A 117 6.984 -5.040 12.205 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.066 -3.210 13.238 1.00 0.00 N ATOM 0 H ARG A 117 10.090 -3.643 7.489 1.00 0.00 H new ATOM 0 HA ARG A 117 10.395 -5.991 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.934 -4.824 10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.192 -3.768 10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.439 -2.328 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.279 -3.139 8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.129 -3.460 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.812 -4.835 9.754 1.00 0.00 H new ATOM 0 HE ARG A 117 6.015 -2.234 10.959 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.310 -5.509 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.042 -5.515 13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.683 -2.266 13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.127 -3.692 14.135 1.00 0.00 H new ATOM 1805 N ALA A 118 7.706 -5.792 7.231 1.00 0.00 N ATOM 1806 CA ALA A 118 6.519 -6.503 6.786 1.00 0.00 C ATOM 1807 C ALA A 118 6.889 -7.837 6.148 1.00 0.00 C ATOM 1808 O ALA A 118 6.457 -8.896 6.602 1.00 0.00 O ATOM 1809 CB ALA A 118 5.732 -5.653 5.802 1.00 0.00 C ATOM 0 H ALA A 118 7.959 -4.994 6.649 1.00 0.00 H new ATOM 0 HA ALA A 118 5.897 -6.702 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.846 -6.199 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.429 -4.724 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.355 -5.426 4.937 1.00 0.00 H new ATOM 1815 N ILE A 119 7.694 -7.774 5.093 1.00 0.00 N ATOM 1816 CA ILE A 119 8.128 -8.971 4.388 1.00 0.00 C ATOM 1817 C ILE A 119 8.996 -9.846 5.279 1.00 0.00 C ATOM 1818 O ILE A 119 9.006 -11.070 5.152 1.00 0.00 O ATOM 1819 CB ILE A 119 8.920 -8.610 3.117 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.153 -7.587 2.278 1.00 0.00 C ATOM 1821 CG2 ILE A 119 9.213 -9.854 2.295 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.051 -6.561 1.624 1.00 0.00 C ATOM 0 H ILE A 119 8.059 -6.903 4.708 1.00 0.00 H new ATOM 0 HA ILE A 119 7.230 -9.521 4.108 1.00 0.00 H new ATOM 0 HB ILE A 119 9.868 -8.167 3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.587 -8.110 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.429 -7.075 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.773 -9.576 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.801 -10.553 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.275 -10.326 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.446 -5.865 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.598 -6.014 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.758 -7.064 0.964 1.00 0.00 H new ATOM 1834 N SER A 120 9.722 -9.204 6.181 1.00 0.00 N ATOM 1835 CA SER A 120 10.601 -9.908 7.104 1.00 0.00 C ATOM 1836 C SER A 120 9.804 -10.804 8.044 1.00 0.00 C ATOM 1837 O SER A 120 10.242 -11.900 8.393 1.00 0.00 O ATOM 1838 CB SER A 120 11.427 -8.909 7.912 1.00 0.00 C ATOM 1839 OG SER A 120 12.440 -9.567 8.654 1.00 0.00 O ATOM 0 H SER A 120 9.720 -8.190 6.294 1.00 0.00 H new ATOM 0 HA SER A 120 11.272 -10.537 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.879 -8.179 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.775 -8.358 8.590 1.00 0.00 H new ATOM 0 HG SER A 120 12.956 -8.906 9.161 1.00 0.00 H new ATOM 1845 N HIS A 121 8.632 -10.329 8.457 1.00 0.00 N ATOM 1846 CA HIS A 121 7.775 -11.088 9.361 1.00 0.00 C ATOM 1847 C HIS A 121 7.013 -12.175 8.612 1.00 0.00 C ATOM 1848 O HIS A 121 6.625 -13.188 9.194 1.00 0.00 O ATOM 1849 CB HIS A 121 6.792 -10.155 10.069 1.00 0.00 C ATOM 1850 CG HIS A 121 7.315 -9.602 11.359 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.058 -8.443 11.433 1.00 0.00 N ATOM 1852 CD2 HIS A 121 7.196 -10.053 12.630 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.375 -8.206 12.694 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.863 -9.168 13.439 1.00 0.00 N ATOM 0 H HIS A 121 8.255 -9.423 8.180 1.00 0.00 H new ATOM 0 HA HIS A 121 8.412 -11.567 10.105 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.544 -9.329 9.403 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.866 -10.696 10.264 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.322 -7.860 10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.674 -10.943 12.948 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.954 -7.368 13.054 1.00 0.00 H new ATOM 1863 N TYR A 122 6.802 -11.956 7.322 1.00 0.00 N ATOM 1864 CA TYR A 122 6.087 -12.913 6.491 1.00 0.00 C ATOM 1865 C TYR A 122 6.910 -14.182 6.286 1.00 0.00 C ATOM 1866 O TYR A 122 6.429 -15.290 6.517 1.00 0.00 O ATOM 1867 CB TYR A 122 5.743 -12.289 5.138 1.00 0.00 C ATOM 1868 CG TYR A 122 4.357 -12.639 4.644 1.00 0.00 C ATOM 1869 CD1 TYR A 122 3.237 -12.408 5.433 1.00 0.00 C ATOM 1870 CD2 TYR A 122 4.170 -13.200 3.388 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.970 -12.729 4.985 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.906 -13.521 2.931 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.810 -13.284 3.733 1.00 0.00 C ATOM 1874 OH TYR A 122 0.549 -13.605 3.282 1.00 0.00 O ATOM 0 H TYR A 122 7.117 -11.121 6.827 1.00 0.00 H new ATOM 0 HA TYR A 122 5.164 -13.182 7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.829 -11.205 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 122 6.476 -12.615 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.359 -11.970 6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 122 5.026 -13.389 2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 122 1.110 -12.546 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.777 -13.955 1.951 1.00 0.00 H new ATOM 0 HH TYR A 122 0.611 -13.985 2.381 1.00 0.00 H new ATOM 1884 N GLN A 123 8.153 -14.009 5.846 1.00 0.00 N ATOM 1885 CA GLN A 123 9.043 -15.135 5.605 1.00 0.00 C ATOM 1886 C GLN A 123 9.567 -15.713 6.915 1.00 0.00 C ATOM 1887 O GLN A 123 9.287 -15.188 7.992 1.00 0.00 O ATOM 1888 CB GLN A 123 10.211 -14.707 4.715 1.00 0.00 C ATOM 1889 CG GLN A 123 10.260 -15.441 3.385 1.00 0.00 C ATOM 1890 CD GLN A 123 9.217 -14.940 2.404 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.231 -13.638 2.138 1.00 0.00 O flip ATOM 1892 NE2 GLN A 123 8.409 -15.714 1.891 1.00 0.00 N flip ATOM 0 H GLN A 123 8.565 -13.097 5.649 1.00 0.00 H new ATOM 0 HA GLN A 123 8.472 -15.911 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 123 10.141 -13.636 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.146 -14.877 5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 123 11.251 -15.325 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 123 10.110 -16.507 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.435 -16.707 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 123 7.714 -15.363 1.233 1.00 0.00 H new ATOM 1901 N GLU A 124 10.332 -16.796 6.814 1.00 0.00 N ATOM 1902 CA GLU A 124 10.899 -17.446 7.991 1.00 0.00 C ATOM 1903 C GLU A 124 12.239 -18.096 7.662 1.00 0.00 C ATOM 1904 O GLU A 124 12.485 -18.493 6.522 1.00 0.00 O ATOM 1905 CB GLU A 124 9.930 -18.497 8.537 1.00 0.00 C ATOM 1906 CG GLU A 124 10.422 -19.175 9.806 1.00 0.00 C ATOM 1907 CD GLU A 124 9.451 -19.028 10.962 1.00 0.00 C ATOM 1908 OE1 GLU A 124 8.271 -19.403 10.799 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.871 -18.536 12.030 1.00 0.00 O ATOM 0 H GLU A 124 10.574 -17.242 5.929 1.00 0.00 H new ATOM 0 HA GLU A 124 11.063 -16.683 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.968 -18.024 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.760 -19.255 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.586 -20.234 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.385 -18.751 10.090 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.257 11.868 0.978 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.845 11.332 2.237 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.077 13.006 0.497 1.00 0.00 F HETATM 1920 F3 BEF A 125 -0.872 12.341 1.228 1.00 0.00 F