USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1031 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 46 GLN : amide:sc= -10.4! K(o=-22!,f=-10) USER MOD Set 1.2: A 114 GLN : amide:sc= -11.8! C(o=-22!,f=-10!) USER MOD Set 2.1: A 103 ASN : amide:sc= -0.777 K(o=-1.2,f=-13!) USER MOD Set 2.2: A 105 GLN : amide:sc= -0.402 K(o=-1.2,f=-0.37) USER MOD Set 3.1: A 71 HIS : no HD1:sc= -1.61 K(o=-3.8,f=-9.3!) USER MOD Set 3.2: A 72 HIS : no HE2:sc= -2.15! C(o=-3.8!,f=-7.1!) USER MOD Set 4.1: A 4 HIS : no HD1:sc= -2.34! C(o=-3!,f=-8!) USER MOD Set 4.2: A 56 GLN : amide:sc= -0.701 K(o=-3,f=-1.9) USER MOD Set 5.1: A 34 SER OG : rot 130:sc= 0.911 USER MOD Set 5.2: A 36 GLN : amide:sc= -3.47! C(o=-2.6!,f=-9!) USER MOD Set 6.1: A 3 MET CE :methyl -165:sc= -0.707 (180deg=0) USER MOD Set 6.2: A 11 ASN : amide:sc= -3.34! C(o=-4.1!,f=-6.5!) USER MOD Single : A 6 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.084) USER MOD Single : A 12 HIS : no HD1:sc= -1.88! K(o=-1.9!,f=0.32) USER MOD Single : A 16 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= -0.156 (180deg=-0.999) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -0.218 (180deg=-0.972) USER MOD Single : A 25 GLN : amide:sc= -11.8! C(o=-12!,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.36! K(o=-2.4!,f=-1.6) USER MOD Single : A 38 MET CE :methyl -171:sc= 0 (180deg=-0.0219) USER MOD Single : A 39 GLN : amide:sc= -5.35! C(o=-5.4!,f=-2.8!) USER MOD Single : A 40 THR OG1 : rot 58:sc= -3.34! USER MOD Single : A 47 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.069) USER MOD Single : A 51 THR OG1 : rot -120:sc= -0.932 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -1.45 USER MOD Single : A 64 SER OG : rot -49:sc= 0.267 USER MOD Single : A 65 SER OG : rot 180:sc= -0.449 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.306 K(o=-0.31,f=-2!) USER MOD Single : A 74 GLN : amide:sc= -4.44 X(o=-4.4,f=-4.9!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= -0.498 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -39:sc= -0.0855! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -14.5! C(o=-14!,f=-11!) USER MOD Single : A 102 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.5) USER MOD Single : A 106 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.13) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 54:sc= 1.79 USER MOD Single : A 115 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.13) USER MOD Single : A 127 SER OG : rot 92:sc= 0.967 USER MOD Single : A 129 LYS NZ :NH3+ -139:sc= -4.61! (180deg=-7.89!) USER MOD Single : A 132 SER OG : rot -120:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.524 9.887 -0.667 1.00 0.00 N ATOM 2 CA PRO A 1 5.918 10.123 -0.175 1.00 0.00 C ATOM 3 C PRO A 1 5.865 10.943 1.122 1.00 0.00 C ATOM 4 O PRO A 1 5.284 12.009 1.177 1.00 0.00 O ATOM 5 CB PRO A 1 6.697 10.871 -1.278 1.00 0.00 C ATOM 6 CG PRO A 1 5.715 11.124 -2.430 1.00 0.00 C ATOM 7 CD PRO A 1 4.374 10.484 -2.030 1.00 0.00 C ATOM 0 H2 PRO A 1 3.850 10.304 -0.025 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.327 8.887 -0.698 1.00 0.00 H new ATOM 0 HA PRO A 1 6.422 9.181 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.096 11.812 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.547 10.279 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.594 12.193 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 1 6.088 10.689 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.581 11.232 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.090 9.717 -2.751 1.00 0.00 H new ATOM 17 N VAL A 2 6.470 10.441 2.161 1.00 0.00 N ATOM 18 CA VAL A 2 6.472 11.163 3.463 1.00 0.00 C ATOM 19 C VAL A 2 7.677 10.700 4.282 1.00 0.00 C ATOM 20 O VAL A 2 8.018 9.536 4.300 1.00 0.00 O ATOM 21 CB VAL A 2 5.178 10.852 4.226 1.00 0.00 C ATOM 22 CG1 VAL A 2 3.991 11.595 3.585 1.00 0.00 C ATOM 23 CG2 VAL A 2 4.923 9.337 4.183 1.00 0.00 C ATOM 0 H VAL A 2 6.969 9.551 2.164 1.00 0.00 H new ATOM 0 HA VAL A 2 6.533 12.238 3.291 1.00 0.00 H new ATOM 0 HB VAL A 2 5.280 11.182 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.078 11.366 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.174 12.669 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.879 11.276 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.005 9.107 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.825 9.014 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.758 8.814 4.649 1.00 0.00 H new ATOM 33 N MET A 3 8.352 11.608 4.930 1.00 0.00 N ATOM 34 CA MET A 3 9.559 11.233 5.713 1.00 0.00 C ATOM 35 C MET A 3 9.258 11.296 7.212 1.00 0.00 C ATOM 36 O MET A 3 8.575 12.184 7.682 1.00 0.00 O ATOM 37 CB MET A 3 10.650 12.237 5.353 1.00 0.00 C ATOM 38 CG MET A 3 10.656 12.441 3.828 1.00 0.00 C ATOM 39 SD MET A 3 12.263 13.098 3.311 1.00 0.00 S ATOM 40 CE MET A 3 11.838 14.854 3.410 1.00 0.00 C ATOM 0 H MET A 3 8.116 12.600 4.950 1.00 0.00 H new ATOM 0 HA MET A 3 9.873 10.215 5.481 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.471 13.186 5.859 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.622 11.874 5.689 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.459 11.495 3.323 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.861 13.128 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.591 15.441 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.863 15.019 2.951 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.804 15.162 4.455 1.00 0.00 H new ATOM 50 N HIS A 4 9.766 10.359 7.968 1.00 0.00 N ATOM 51 CA HIS A 4 9.516 10.356 9.440 1.00 0.00 C ATOM 52 C HIS A 4 10.747 9.778 10.155 1.00 0.00 C ATOM 53 O HIS A 4 10.720 8.643 10.589 1.00 0.00 O ATOM 54 CB HIS A 4 8.304 9.471 9.740 1.00 0.00 C ATOM 55 CG HIS A 4 8.477 8.138 9.067 1.00 0.00 C ATOM 56 ND1 HIS A 4 9.588 7.839 8.296 1.00 0.00 N ATOM 57 CD2 HIS A 4 7.688 7.015 9.040 1.00 0.00 C ATOM 58 CE1 HIS A 4 9.440 6.581 7.841 1.00 0.00 C ATOM 59 NE2 HIS A 4 8.298 6.033 8.265 1.00 0.00 N ATOM 0 H HIS A 4 10.346 9.592 7.628 1.00 0.00 H new ATOM 0 HA HIS A 4 9.327 11.372 9.786 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.197 9.336 10.816 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.392 9.953 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.738 6.910 9.544 1.00 0.00 H new ATOM 0 HE1 HIS A 4 10.157 6.076 7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.948 5.096 8.064 1.00 0.00 H new ATOM 67 N PRO A 5 11.798 10.566 10.262 1.00 0.00 N ATOM 68 CA PRO A 5 13.033 10.113 10.929 1.00 0.00 C ATOM 69 C PRO A 5 12.755 9.846 12.416 1.00 0.00 C ATOM 70 O PRO A 5 11.947 10.508 13.037 1.00 0.00 O ATOM 71 CB PRO A 5 14.037 11.278 10.739 1.00 0.00 C ATOM 72 CG PRO A 5 13.311 12.395 9.932 1.00 0.00 C ATOM 73 CD PRO A 5 11.849 11.943 9.723 1.00 0.00 C ATOM 0 HA PRO A 5 13.422 9.183 10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.371 11.658 11.705 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.925 10.936 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.346 13.342 10.471 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.803 12.556 8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.154 12.599 10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.575 11.965 8.668 1.00 0.00 H new ATOM 81 N HIS A 6 13.419 8.876 12.986 1.00 0.00 N ATOM 82 CA HIS A 6 13.195 8.558 14.426 1.00 0.00 C ATOM 83 C HIS A 6 13.214 9.846 15.250 1.00 0.00 C ATOM 84 O HIS A 6 14.143 10.627 15.181 1.00 0.00 O ATOM 85 CB HIS A 6 14.301 7.623 14.918 1.00 0.00 C ATOM 86 CG HIS A 6 14.274 6.349 14.118 1.00 0.00 C ATOM 87 ND1 HIS A 6 13.491 5.265 14.482 1.00 0.00 N ATOM 88 CD2 HIS A 6 14.927 5.973 12.971 1.00 0.00 C ATOM 89 CE1 HIS A 6 13.690 4.297 13.568 1.00 0.00 C ATOM 90 NE2 HIS A 6 14.557 4.676 12.625 1.00 0.00 N ATOM 0 H HIS A 6 14.108 8.289 12.515 1.00 0.00 H new ATOM 0 HA HIS A 6 12.226 8.072 14.541 1.00 0.00 H new ATOM 0 HB2 HIS A 6 15.272 8.107 14.818 1.00 0.00 H new ATOM 0 HB3 HIS A 6 14.162 7.403 15.977 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.622 6.589 12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.207 3.331 13.594 1.00 0.00 H new ATOM 0 HE2 HIS A 6 14.879 4.132 11.824 1.00 0.00 H new ATOM 98 N GLY A 7 12.195 10.072 16.032 1.00 0.00 N ATOM 99 CA GLY A 7 12.152 11.307 16.864 1.00 0.00 C ATOM 100 C GLY A 7 12.383 12.532 15.978 1.00 0.00 C ATOM 101 O GLY A 7 13.439 13.133 15.997 1.00 0.00 O ATOM 0 H GLY A 7 11.389 9.454 16.131 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.188 11.386 17.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.914 11.260 17.642 1.00 0.00 H new ATOM 105 N ALA A 8 11.399 12.917 15.212 1.00 0.00 N ATOM 106 CA ALA A 8 11.560 14.113 14.340 1.00 0.00 C ATOM 107 C ALA A 8 10.163 14.575 13.883 1.00 0.00 C ATOM 108 O ALA A 8 9.176 13.984 14.274 1.00 0.00 O ATOM 109 CB ALA A 8 12.444 13.739 13.136 1.00 0.00 C ATOM 0 H ALA A 8 10.492 12.455 15.153 1.00 0.00 H new ATOM 0 HA ALA A 8 12.042 14.929 14.879 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.568 14.609 12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.420 13.408 13.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.971 12.935 12.573 1.00 0.00 H new ATOM 115 N PRO A 9 10.101 15.612 13.073 1.00 0.00 N ATOM 116 CA PRO A 9 8.817 16.127 12.586 1.00 0.00 C ATOM 117 C PRO A 9 8.408 15.316 11.346 1.00 0.00 C ATOM 118 O PRO A 9 9.269 14.954 10.568 1.00 0.00 O ATOM 119 CB PRO A 9 9.126 17.574 12.161 1.00 0.00 C ATOM 120 CG PRO A 9 10.676 17.713 12.112 1.00 0.00 C ATOM 121 CD PRO A 9 11.267 16.363 12.578 1.00 0.00 C ATOM 0 HA PRO A 9 8.019 16.067 13.326 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.688 17.792 11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.697 18.284 12.869 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.010 17.952 11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.011 18.524 12.759 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.760 15.840 11.759 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.012 16.503 13.361 1.00 0.00 H new ATOM 129 N PRO A 10 7.137 15.073 11.142 1.00 0.00 N ATOM 130 CA PRO A 10 6.724 14.345 9.944 1.00 0.00 C ATOM 131 C PRO A 10 6.904 15.249 8.717 1.00 0.00 C ATOM 132 O PRO A 10 6.018 15.994 8.350 1.00 0.00 O ATOM 133 CB PRO A 10 5.233 14.016 10.175 1.00 0.00 C ATOM 134 CG PRO A 10 4.767 14.862 11.393 1.00 0.00 C ATOM 135 CD PRO A 10 6.033 15.455 12.051 1.00 0.00 C ATOM 0 HA PRO A 10 7.308 13.442 9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.643 14.256 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.098 12.952 10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.092 15.656 11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.218 14.243 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.958 16.538 12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.186 15.052 13.052 1.00 0.00 H new ATOM 143 N ASN A 11 8.042 15.190 8.083 1.00 0.00 N ATOM 144 CA ASN A 11 8.257 16.053 6.889 1.00 0.00 C ATOM 145 C ASN A 11 7.558 15.422 5.692 1.00 0.00 C ATOM 146 O ASN A 11 8.138 14.681 4.923 1.00 0.00 O ATOM 147 CB ASN A 11 9.752 16.232 6.621 1.00 0.00 C ATOM 148 CG ASN A 11 9.957 16.950 5.284 1.00 0.00 C ATOM 149 OD1 ASN A 11 9.497 16.493 4.257 1.00 0.00 O ATOM 150 ND2 ASN A 11 10.635 18.065 5.255 1.00 0.00 N ATOM 0 H ASN A 11 8.825 14.588 8.337 1.00 0.00 H new ATOM 0 HA ASN A 11 7.835 17.042 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.209 16.807 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.246 15.261 6.602 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.778 18.552 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.022 18.449 6.117 1.00 0.00 H new ATOM 157 N HIS A 12 6.298 15.720 5.543 1.00 0.00 N ATOM 158 CA HIS A 12 5.517 15.160 4.411 1.00 0.00 C ATOM 159 C HIS A 12 5.923 15.872 3.126 1.00 0.00 C ATOM 160 O HIS A 12 6.463 16.960 3.161 1.00 0.00 O ATOM 161 CB HIS A 12 4.023 15.374 4.665 1.00 0.00 C ATOM 162 CG HIS A 12 3.771 16.822 4.980 1.00 0.00 C ATOM 163 ND1 HIS A 12 3.236 17.699 4.049 1.00 0.00 N ATOM 164 CD2 HIS A 12 3.976 17.562 6.118 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.138 18.905 4.638 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.575 18.877 5.900 1.00 0.00 N ATOM 0 H HIS A 12 5.772 16.334 6.165 1.00 0.00 H new ATOM 0 HA HIS A 12 5.716 14.092 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.448 15.076 3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.690 14.747 5.493 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.386 17.182 7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.753 19.788 4.150 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.608 19.653 6.562 1.00 0.00 H new ATOM 174 N ARG A 13 5.697 15.255 1.992 1.00 0.00 N ATOM 175 CA ARG A 13 6.085 15.875 0.687 1.00 0.00 C ATOM 176 C ARG A 13 4.828 16.183 -0.137 1.00 0.00 C ATOM 177 O ARG A 13 4.359 15.327 -0.861 1.00 0.00 O ATOM 178 CB ARG A 13 6.940 14.867 -0.076 1.00 0.00 C ATOM 179 CG ARG A 13 8.319 14.807 0.575 1.00 0.00 C ATOM 180 CD ARG A 13 9.040 13.521 0.157 1.00 0.00 C ATOM 181 NE ARG A 13 8.922 13.342 -1.318 1.00 0.00 N ATOM 182 CZ ARG A 13 9.700 12.496 -1.936 1.00 0.00 C ATOM 183 NH1 ARG A 13 10.581 11.808 -1.264 1.00 0.00 N ATOM 184 NH2 ARG A 13 9.597 12.340 -3.228 1.00 0.00 N ATOM 0 H ARG A 13 5.256 14.339 1.914 1.00 0.00 H new ATOM 0 HA ARG A 13 6.634 16.800 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.471 13.883 -0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.028 15.160 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.907 15.676 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.220 14.842 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.090 13.570 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.607 12.664 0.674 1.00 0.00 H new ATOM 0 HE ARG A 13 8.234 13.880 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.662 11.931 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.189 11.147 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.909 12.879 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.205 11.679 -3.712 1.00 0.00 H new ATOM 198 N PRO A 14 4.301 17.383 -0.016 1.00 0.00 N ATOM 199 CA PRO A 14 3.095 17.762 -0.761 1.00 0.00 C ATOM 200 C PRO A 14 3.472 18.071 -2.219 1.00 0.00 C ATOM 201 O PRO A 14 3.795 17.179 -2.976 1.00 0.00 O ATOM 202 CB PRO A 14 2.579 18.998 0.000 1.00 0.00 C ATOM 203 CG PRO A 14 3.774 19.568 0.801 1.00 0.00 C ATOM 204 CD PRO A 14 4.834 18.453 0.862 1.00 0.00 C ATOM 0 HA PRO A 14 2.332 16.986 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.189 19.743 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.762 18.726 0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.176 20.458 0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.463 19.863 1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.803 18.808 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.975 18.095 1.882 1.00 0.00 H new ATOM 212 N TRP A 15 3.425 19.312 -2.615 1.00 0.00 N ATOM 213 CA TRP A 15 3.772 19.688 -4.020 1.00 0.00 C ATOM 214 C TRP A 15 2.686 19.182 -4.975 1.00 0.00 C ATOM 215 O TRP A 15 2.531 19.685 -6.070 1.00 0.00 O ATOM 216 CB TRP A 15 5.135 19.082 -4.408 1.00 0.00 C ATOM 217 CG TRP A 15 5.735 19.859 -5.540 1.00 0.00 C ATOM 218 CD1 TRP A 15 6.466 20.990 -5.407 1.00 0.00 C ATOM 219 CD2 TRP A 15 5.668 19.581 -6.969 1.00 0.00 C ATOM 220 NE1 TRP A 15 6.851 21.423 -6.663 1.00 0.00 N ATOM 221 CE2 TRP A 15 6.384 20.587 -7.658 1.00 0.00 C ATOM 222 CE3 TRP A 15 5.062 18.562 -7.725 1.00 0.00 C ATOM 223 CZ2 TRP A 15 6.495 20.584 -9.049 1.00 0.00 C ATOM 224 CZ3 TRP A 15 5.171 18.555 -9.126 1.00 0.00 C ATOM 225 CH2 TRP A 15 5.886 19.564 -9.786 1.00 0.00 C ATOM 0 H TRP A 15 3.157 20.095 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 15 3.835 20.774 -4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.807 19.096 -3.550 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.010 18.039 -4.698 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.709 21.475 -4.473 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.411 22.258 -6.833 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.509 17.780 -7.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.047 21.364 -9.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.701 17.768 -9.697 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.966 19.553 -10.863 1.00 0.00 H new ATOM 236 N GLN A 16 1.933 18.193 -4.571 1.00 0.00 N ATOM 237 CA GLN A 16 0.861 17.659 -5.459 1.00 0.00 C ATOM 238 C GLN A 16 0.048 16.607 -4.702 1.00 0.00 C ATOM 239 O GLN A 16 -0.304 15.581 -5.249 1.00 0.00 O ATOM 240 CB GLN A 16 1.504 16.996 -6.681 1.00 0.00 C ATOM 241 CG GLN A 16 2.497 15.927 -6.219 1.00 0.00 C ATOM 242 CD GLN A 16 3.228 15.351 -7.432 1.00 0.00 C ATOM 243 OE1 GLN A 16 4.283 14.763 -7.297 1.00 0.00 O ATOM 244 NE2 GLN A 16 2.709 15.495 -8.621 1.00 0.00 N ATOM 0 H GLN A 16 2.015 17.733 -3.665 1.00 0.00 H new ATOM 0 HA GLN A 16 0.210 18.475 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.736 16.546 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.015 17.744 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.214 16.359 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.972 15.134 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.824 15.988 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.189 15.114 -9.436 1.00 0.00 H new ATOM 253 N MET A 17 -0.237 16.827 -3.446 1.00 0.00 N ATOM 254 CA MET A 17 -1.004 15.798 -2.688 1.00 0.00 C ATOM 255 C MET A 17 -2.427 15.727 -3.244 1.00 0.00 C ATOM 256 O MET A 17 -3.236 14.915 -2.837 1.00 0.00 O ATOM 257 CB MET A 17 -1.040 16.170 -1.203 1.00 0.00 C ATOM 258 CG MET A 17 -1.462 14.953 -0.379 1.00 0.00 C ATOM 259 SD MET A 17 -1.342 15.347 1.384 1.00 0.00 S ATOM 260 CE MET A 17 0.388 14.867 1.606 1.00 0.00 C ATOM 0 H MET A 17 0.023 17.661 -2.920 1.00 0.00 H new ATOM 0 HA MET A 17 -0.522 14.826 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.058 16.517 -0.881 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.738 16.992 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.483 14.667 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.825 14.101 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.681 15.030 2.643 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.508 13.813 1.357 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.019 15.469 0.952 1.00 0.00 H new ATOM 270 N LYS A 18 -2.731 16.590 -4.175 1.00 0.00 N ATOM 271 CA LYS A 18 -4.093 16.611 -4.776 1.00 0.00 C ATOM 272 C LYS A 18 -4.294 15.374 -5.650 1.00 0.00 C ATOM 273 O LYS A 18 -5.333 15.198 -6.259 1.00 0.00 O ATOM 274 CB LYS A 18 -4.252 17.870 -5.631 1.00 0.00 C ATOM 275 CG LYS A 18 -3.107 17.951 -6.642 1.00 0.00 C ATOM 276 CD LYS A 18 -3.268 19.209 -7.497 1.00 0.00 C ATOM 277 CE LYS A 18 -2.182 19.237 -8.575 1.00 0.00 C ATOM 278 NZ LYS A 18 -2.261 17.993 -9.391 1.00 0.00 N ATOM 0 H LYS A 18 -2.087 17.288 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.837 16.612 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.210 17.850 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.253 18.756 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.149 17.972 -6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.105 17.065 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.255 19.223 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.197 20.098 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.310 20.112 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.198 19.320 -8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.050 18.216 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.570 17.301 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.218 17.593 -9.322 1.00 0.00 H new ATOM 292 N ASP A 19 -3.323 14.492 -5.692 1.00 0.00 N ATOM 293 CA ASP A 19 -3.483 13.248 -6.510 1.00 0.00 C ATOM 294 C ASP A 19 -4.005 12.141 -5.599 1.00 0.00 C ATOM 295 O ASP A 19 -4.859 11.369 -5.987 1.00 0.00 O ATOM 296 CB ASP A 19 -2.156 12.846 -7.156 1.00 0.00 C ATOM 297 CG ASP A 19 -2.337 11.532 -7.918 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.419 11.318 -8.441 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.392 10.763 -7.967 1.00 0.00 O ATOM 0 H ASP A 19 -2.434 14.579 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.192 13.425 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.818 13.629 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.387 12.733 -6.392 1.00 0.00 H new ATOM 304 N LEU A 20 -3.568 12.080 -4.371 1.00 0.00 N ATOM 305 CA LEU A 20 -4.139 11.042 -3.479 1.00 0.00 C ATOM 306 C LEU A 20 -5.595 11.438 -3.244 1.00 0.00 C ATOM 307 O LEU A 20 -6.466 10.607 -3.086 1.00 0.00 O ATOM 308 CB LEU A 20 -3.376 10.974 -2.152 1.00 0.00 C ATOM 309 CG LEU A 20 -1.881 11.159 -2.413 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.110 10.998 -1.102 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.406 10.104 -3.415 1.00 0.00 C ATOM 0 H LEU A 20 -2.860 12.687 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.063 10.053 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.736 11.747 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.555 10.015 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.703 12.155 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.044 11.130 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.449 11.747 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.287 10.002 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.340 10.234 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.584 9.109 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.955 10.217 -4.350 1.00 0.00 H new ATOM 323 N GLN A 21 -5.864 12.721 -3.260 1.00 0.00 N ATOM 324 CA GLN A 21 -7.262 13.194 -3.084 1.00 0.00 C ATOM 325 C GLN A 21 -8.087 12.630 -4.241 1.00 0.00 C ATOM 326 O GLN A 21 -9.171 12.116 -4.060 1.00 0.00 O ATOM 327 CB GLN A 21 -7.286 14.728 -3.115 1.00 0.00 C ATOM 328 CG GLN A 21 -8.602 15.242 -2.526 1.00 0.00 C ATOM 329 CD GLN A 21 -8.544 16.766 -2.400 1.00 0.00 C ATOM 330 OE1 GLN A 21 -9.260 17.471 -3.083 1.00 0.00 O ATOM 331 NE2 GLN A 21 -7.716 17.307 -1.549 1.00 0.00 N ATOM 0 H GLN A 21 -5.171 13.458 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.672 12.861 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.444 15.125 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.174 15.081 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.437 14.951 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.776 14.792 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.115 16.715 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.670 18.322 -1.457 1.00 0.00 H new ATOM 340 N ALA A 22 -7.557 12.697 -5.434 1.00 0.00 N ATOM 341 CA ALA A 22 -8.279 12.134 -6.610 1.00 0.00 C ATOM 342 C ALA A 22 -8.733 10.707 -6.277 1.00 0.00 C ATOM 343 O ALA A 22 -9.787 10.249 -6.686 1.00 0.00 O ATOM 344 CB ALA A 22 -7.312 12.079 -7.795 1.00 0.00 C ATOM 0 H ALA A 22 -6.652 13.119 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.142 12.753 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.825 11.669 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.958 13.085 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.463 11.444 -7.542 1.00 0.00 H new ATOM 350 N ILE A 23 -7.936 10.013 -5.504 1.00 0.00 N ATOM 351 CA ILE A 23 -8.279 8.622 -5.101 1.00 0.00 C ATOM 352 C ILE A 23 -9.252 8.705 -3.919 1.00 0.00 C ATOM 353 O ILE A 23 -9.982 7.779 -3.620 1.00 0.00 O ATOM 354 CB ILE A 23 -6.968 7.888 -4.724 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.307 7.308 -5.996 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.229 6.755 -3.713 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.766 8.447 -6.859 1.00 0.00 C ATOM 0 H ILE A 23 -7.051 10.359 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.758 8.064 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.299 8.612 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.498 6.631 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.033 6.724 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.289 6.261 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.666 7.171 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.918 6.031 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.301 8.035 -7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.585 9.107 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.026 9.013 -6.293 1.00 0.00 H new ATOM 369 N LYS A 24 -9.319 9.846 -3.300 1.00 0.00 N ATOM 370 CA LYS A 24 -10.283 10.065 -2.193 1.00 0.00 C ATOM 371 C LYS A 24 -11.663 10.343 -2.803 1.00 0.00 C ATOM 372 O LYS A 24 -12.660 9.820 -2.321 1.00 0.00 O ATOM 373 CB LYS A 24 -9.847 11.247 -1.323 1.00 0.00 C ATOM 374 CG LYS A 24 -10.695 11.288 -0.048 1.00 0.00 C ATOM 375 CD LYS A 24 -10.207 12.423 0.855 1.00 0.00 C ATOM 376 CE LYS A 24 -11.029 12.436 2.144 1.00 0.00 C ATOM 377 NZ LYS A 24 -12.480 12.374 1.808 1.00 0.00 N ATOM 0 H LYS A 24 -8.734 10.652 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.321 9.178 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.792 11.153 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.959 12.179 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.745 11.437 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.626 10.336 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.150 12.290 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.303 13.379 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.754 11.589 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.815 13.339 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.034 12.795 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.656 12.902 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.764 11.382 1.678 1.00 0.00 H new ATOM 391 N GLN A 25 -11.789 11.137 -3.827 1.00 0.00 N ATOM 392 CA GLN A 25 -13.168 11.363 -4.340 1.00 0.00 C ATOM 393 C GLN A 25 -13.737 10.016 -4.813 1.00 0.00 C ATOM 394 O GLN A 25 -14.929 9.770 -4.799 1.00 0.00 O ATOM 395 CB GLN A 25 -13.139 12.343 -5.514 1.00 0.00 C ATOM 396 CG GLN A 25 -12.849 13.751 -5.000 1.00 0.00 C ATOM 397 CD GLN A 25 -11.454 13.784 -4.379 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.304 13.592 -3.190 1.00 0.00 O ATOM 399 NE2 GLN A 25 -10.421 14.019 -5.141 1.00 0.00 N ATOM 0 H GLN A 25 -11.035 11.621 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.790 11.782 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.376 12.043 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.094 12.326 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.913 14.469 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.596 14.042 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.550 14.180 -6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.484 14.042 -4.738 1.00 0.00 H new ATOM 408 N GLU A 26 -12.852 9.168 -5.290 1.00 0.00 N ATOM 409 CA GLU A 26 -13.257 7.835 -5.849 1.00 0.00 C ATOM 410 C GLU A 26 -13.669 6.816 -4.765 1.00 0.00 C ATOM 411 O GLU A 26 -14.521 5.968 -5.006 1.00 0.00 O ATOM 412 CB GLU A 26 -12.080 7.270 -6.656 1.00 0.00 C ATOM 413 CG GLU A 26 -11.995 7.971 -8.016 1.00 0.00 C ATOM 414 CD GLU A 26 -10.855 7.362 -8.833 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.031 6.262 -9.333 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.824 8.004 -8.947 1.00 0.00 O ATOM 0 H GLU A 26 -11.848 9.348 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.135 7.995 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.150 7.411 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.207 6.197 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.938 7.864 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.827 9.039 -7.877 1.00 0.00 H new ATOM 423 N VAL A 27 -13.133 6.863 -3.574 1.00 0.00 N ATOM 424 CA VAL A 27 -13.601 5.856 -2.577 1.00 0.00 C ATOM 425 C VAL A 27 -15.075 6.163 -2.361 1.00 0.00 C ATOM 426 O VAL A 27 -15.894 5.308 -2.087 1.00 0.00 O ATOM 427 CB VAL A 27 -12.822 5.976 -1.245 1.00 0.00 C ATOM 428 CG1 VAL A 27 -12.416 7.414 -1.015 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.676 5.493 -0.064 1.00 0.00 C ATOM 0 H VAL A 27 -12.423 7.523 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.439 4.839 -2.934 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.934 5.348 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.868 7.492 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.780 7.748 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.307 8.041 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.106 5.588 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.580 6.099 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.950 4.449 -0.216 1.00 0.00 H new ATOM 439 N SER A 28 -15.390 7.435 -2.521 1.00 0.00 N ATOM 440 CA SER A 28 -16.803 7.872 -2.365 1.00 0.00 C ATOM 441 C SER A 28 -17.597 7.069 -3.392 1.00 0.00 C ATOM 442 O SER A 28 -18.222 6.100 -3.050 1.00 0.00 O ATOM 443 CB SER A 28 -16.932 9.381 -2.606 1.00 0.00 C ATOM 444 OG SER A 28 -18.116 9.854 -1.976 1.00 0.00 O ATOM 0 H SER A 28 -14.728 8.176 -2.751 1.00 0.00 H new ATOM 0 HA SER A 28 -17.176 7.695 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.061 9.901 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.966 9.589 -3.675 1.00 0.00 H new ATOM 0 HG SER A 28 -18.203 10.819 -2.125 1.00 0.00 H new ATOM 450 N GLN A 29 -17.523 7.471 -4.652 1.00 0.00 N ATOM 451 CA GLN A 29 -18.203 6.742 -5.787 1.00 0.00 C ATOM 452 C GLN A 29 -18.772 5.384 -5.364 1.00 0.00 C ATOM 453 O GLN A 29 -19.930 5.078 -5.569 1.00 0.00 O ATOM 454 CB GLN A 29 -17.129 6.449 -6.845 1.00 0.00 C ATOM 455 CG GLN A 29 -16.706 7.758 -7.521 1.00 0.00 C ATOM 456 CD GLN A 29 -15.614 7.476 -8.553 1.00 0.00 C ATOM 457 OE1 GLN A 29 -15.193 8.364 -9.267 1.00 0.00 O ATOM 458 NE2 GLN A 29 -15.135 6.268 -8.664 1.00 0.00 N ATOM 0 H GLN A 29 -17.004 8.298 -4.946 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.021 7.368 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.266 5.972 -6.380 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.516 5.752 -7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.565 8.223 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.341 8.463 -6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.488 5.522 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.407 6.069 -9.350 1.00 0.00 H new ATOM 467 N ALA A 30 -17.922 4.559 -4.789 1.00 0.00 N ATOM 468 CA ALA A 30 -18.356 3.188 -4.358 1.00 0.00 C ATOM 469 C ALA A 30 -18.951 3.195 -2.947 1.00 0.00 C ATOM 470 O ALA A 30 -19.281 4.215 -2.384 1.00 0.00 O ATOM 471 CB ALA A 30 -17.141 2.256 -4.362 1.00 0.00 C ATOM 0 H ALA A 30 -16.944 4.778 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.122 2.847 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.447 1.258 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.721 2.209 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.388 2.637 -3.672 1.00 0.00 H new ATOM 477 N ALA A 31 -19.071 2.033 -2.375 1.00 0.00 N ATOM 478 CA ALA A 31 -19.615 1.917 -0.995 1.00 0.00 C ATOM 479 C ALA A 31 -18.466 2.241 -0.023 1.00 0.00 C ATOM 480 O ALA A 31 -17.333 2.334 -0.449 1.00 0.00 O ATOM 481 CB ALA A 31 -20.131 0.472 -0.796 1.00 0.00 C ATOM 0 H ALA A 31 -18.812 1.147 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.443 2.603 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.535 0.365 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.914 0.261 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.309 -0.230 -0.934 1.00 0.00 H new ATOM 487 N PRO A 32 -18.767 2.408 1.246 1.00 0.00 N ATOM 488 CA PRO A 32 -17.722 2.722 2.235 1.00 0.00 C ATOM 489 C PRO A 32 -16.541 1.749 2.069 1.00 0.00 C ATOM 490 O PRO A 32 -16.481 0.709 2.694 1.00 0.00 O ATOM 491 CB PRO A 32 -18.424 2.575 3.604 1.00 0.00 C ATOM 492 CG PRO A 32 -19.952 2.467 3.325 1.00 0.00 C ATOM 493 CD PRO A 32 -20.134 2.298 1.798 1.00 0.00 C ATOM 0 HA PRO A 32 -17.301 3.721 2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.065 1.690 4.128 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.208 3.432 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.380 1.618 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.470 3.359 3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.583 1.335 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.790 3.067 1.389 1.00 0.00 H new ATOM 501 N GLY A 33 -15.608 2.084 1.211 1.00 0.00 N ATOM 502 CA GLY A 33 -14.433 1.196 0.973 1.00 0.00 C ATOM 503 C GLY A 33 -14.750 0.258 -0.186 1.00 0.00 C ATOM 504 O GLY A 33 -14.635 0.616 -1.342 1.00 0.00 O ATOM 0 H GLY A 33 -15.613 2.943 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.550 1.793 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.206 0.622 1.871 1.00 0.00 H new ATOM 508 N SER A 34 -15.179 -0.930 0.118 1.00 0.00 N ATOM 509 CA SER A 34 -15.545 -1.894 -0.952 1.00 0.00 C ATOM 510 C SER A 34 -14.312 -2.172 -1.843 1.00 0.00 C ATOM 511 O SER A 34 -13.319 -1.482 -1.724 1.00 0.00 O ATOM 512 CB SER A 34 -16.682 -1.257 -1.771 1.00 0.00 C ATOM 513 OG SER A 34 -16.247 -1.011 -3.103 1.00 0.00 O ATOM 0 H SER A 34 -15.293 -1.279 1.070 1.00 0.00 H new ATOM 0 HA SER A 34 -15.874 -2.845 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.549 -1.918 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.997 -0.323 -1.305 1.00 0.00 H new ATOM 0 HG SER A 34 -16.899 -1.381 -3.734 1.00 0.00 H new ATOM 519 N PRO A 35 -14.399 -3.152 -2.723 1.00 0.00 N ATOM 520 CA PRO A 35 -13.275 -3.477 -3.633 1.00 0.00 C ATOM 521 C PRO A 35 -12.938 -2.265 -4.515 1.00 0.00 C ATOM 522 O PRO A 35 -11.788 -1.921 -4.697 1.00 0.00 O ATOM 523 CB PRO A 35 -13.788 -4.654 -4.497 1.00 0.00 C ATOM 524 CG PRO A 35 -15.227 -5.001 -4.010 1.00 0.00 C ATOM 525 CD PRO A 35 -15.596 -4.006 -2.886 1.00 0.00 C ATOM 0 HA PRO A 35 -12.365 -3.736 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.796 -4.380 -5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.131 -5.518 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.937 -4.928 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.269 -6.026 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.470 -3.413 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.837 -4.528 -1.960 1.00 0.00 H new ATOM 533 N GLN A 36 -13.941 -1.643 -5.071 1.00 0.00 N ATOM 534 CA GLN A 36 -13.730 -0.461 -5.964 1.00 0.00 C ATOM 535 C GLN A 36 -12.563 0.405 -5.473 1.00 0.00 C ATOM 536 O GLN A 36 -11.828 0.979 -6.261 1.00 0.00 O ATOM 537 CB GLN A 36 -15.005 0.380 -5.958 1.00 0.00 C ATOM 538 CG GLN A 36 -16.081 -0.302 -6.809 1.00 0.00 C ATOM 539 CD GLN A 36 -16.464 -1.639 -6.172 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.233 -1.680 -5.232 1.00 0.00 O ATOM 541 NE2 GLN A 36 -15.957 -2.742 -6.649 1.00 0.00 N ATOM 0 H GLN A 36 -14.918 -1.907 -4.943 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.496 -0.816 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.363 0.507 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.796 1.376 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.958 0.340 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.711 -0.462 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.312 -2.707 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.206 -3.639 -6.233 1.00 0.00 H new ATOM 550 N PHE A 37 -12.399 0.531 -4.182 1.00 0.00 N ATOM 551 CA PHE A 37 -11.303 1.384 -3.658 1.00 0.00 C ATOM 552 C PHE A 37 -10.006 1.008 -4.395 1.00 0.00 C ATOM 553 O PHE A 37 -9.260 1.820 -4.899 1.00 0.00 O ATOM 554 CB PHE A 37 -11.144 1.076 -2.164 1.00 0.00 C ATOM 555 CG PHE A 37 -10.530 2.250 -1.404 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.785 3.258 -2.055 1.00 0.00 C ATOM 557 CD2 PHE A 37 -10.713 2.322 -0.016 1.00 0.00 C ATOM 558 CE1 PHE A 37 -9.241 4.315 -1.316 1.00 0.00 C ATOM 559 CE2 PHE A 37 -10.166 3.382 0.716 1.00 0.00 C ATOM 560 CZ PHE A 37 -9.432 4.377 0.067 1.00 0.00 C ATOM 0 H PHE A 37 -12.977 0.080 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.519 2.442 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.118 0.836 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.515 0.194 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.635 3.213 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.279 1.555 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.672 5.085 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.312 3.431 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.012 5.195 0.634 1.00 0.00 H new ATOM 570 N MET A 38 -9.776 -0.284 -4.429 1.00 0.00 N ATOM 571 CA MET A 38 -8.571 -0.853 -5.089 1.00 0.00 C ATOM 572 C MET A 38 -8.498 -0.377 -6.532 1.00 0.00 C ATOM 573 O MET A 38 -7.445 -0.077 -7.045 1.00 0.00 O ATOM 574 CB MET A 38 -8.644 -2.387 -5.077 1.00 0.00 C ATOM 575 CG MET A 38 -7.501 -2.972 -5.928 1.00 0.00 C ATOM 576 SD MET A 38 -8.022 -3.063 -7.662 1.00 0.00 S ATOM 577 CE MET A 38 -8.924 -4.630 -7.568 1.00 0.00 C ATOM 0 H MET A 38 -10.394 -0.981 -4.014 1.00 0.00 H new ATOM 0 HA MET A 38 -7.686 -0.522 -4.546 1.00 0.00 H new ATOM 0 HB2 MET A 38 -8.573 -2.755 -4.054 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.606 -2.717 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.611 -2.350 -5.837 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.235 -3.965 -5.565 1.00 0.00 H new ATOM 0 HE1 MET A 38 -9.195 -4.955 -8.573 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.293 -5.386 -7.100 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.828 -4.494 -6.974 1.00 0.00 H new ATOM 587 N GLN A 39 -9.612 -0.315 -7.190 1.00 0.00 N ATOM 588 CA GLN A 39 -9.621 0.123 -8.608 1.00 0.00 C ATOM 589 C GLN A 39 -8.800 1.402 -8.763 1.00 0.00 C ATOM 590 O GLN A 39 -7.952 1.511 -9.623 1.00 0.00 O ATOM 591 CB GLN A 39 -11.076 0.374 -9.023 1.00 0.00 C ATOM 592 CG GLN A 39 -11.194 0.372 -10.551 1.00 0.00 C ATOM 593 CD GLN A 39 -10.423 1.561 -11.126 1.00 0.00 C ATOM 594 OE1 GLN A 39 -10.608 2.684 -10.700 1.00 0.00 O ATOM 595 NE2 GLN A 39 -9.558 1.361 -12.082 1.00 0.00 N ATOM 0 H GLN A 39 -10.527 -0.551 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.180 -0.645 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.721 -0.396 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.416 1.330 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.799 -0.560 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.242 0.429 -10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.402 0.419 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.037 2.147 -12.471 1.00 0.00 H new ATOM 604 N THR A 40 -9.061 2.380 -7.950 1.00 0.00 N ATOM 605 CA THR A 40 -8.295 3.661 -8.061 1.00 0.00 C ATOM 606 C THR A 40 -6.965 3.536 -7.321 1.00 0.00 C ATOM 607 O THR A 40 -5.950 3.992 -7.808 1.00 0.00 O ATOM 608 CB THR A 40 -9.146 4.818 -7.532 1.00 0.00 C ATOM 609 OG1 THR A 40 -8.678 6.044 -8.070 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.119 4.877 -5.998 1.00 0.00 C ATOM 0 H THR A 40 -9.767 2.356 -7.214 1.00 0.00 H new ATOM 0 HA THR A 40 -8.067 3.871 -9.106 1.00 0.00 H new ATOM 0 HB THR A 40 -10.177 4.650 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.709 6.005 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.733 5.710 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.511 3.945 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.093 5.018 -5.657 1.00 0.00 H new ATOM 618 N ILE A 41 -6.919 2.892 -6.205 1.00 0.00 N ATOM 619 CA ILE A 41 -5.585 2.729 -5.545 1.00 0.00 C ATOM 620 C ILE A 41 -4.766 1.776 -6.410 1.00 0.00 C ATOM 621 O ILE A 41 -3.567 1.656 -6.256 1.00 0.00 O ATOM 622 CB ILE A 41 -5.721 2.160 -4.131 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.557 3.124 -3.248 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.324 1.919 -3.538 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.652 4.015 -2.372 1.00 0.00 C ATOM 0 H ILE A 41 -7.715 2.477 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.100 3.701 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.245 1.205 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.182 3.751 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.228 2.547 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.421 1.514 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.781 1.211 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.778 2.862 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.270 4.678 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.046 3.387 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.000 4.610 -3.011 1.00 0.00 H new ATOM 637 N ARG A 42 -5.393 1.127 -7.348 1.00 0.00 N ATOM 638 CA ARG A 42 -4.630 0.223 -8.242 1.00 0.00 C ATOM 639 C ARG A 42 -3.846 1.081 -9.229 1.00 0.00 C ATOM 640 O ARG A 42 -2.640 0.985 -9.340 1.00 0.00 O ATOM 641 CB ARG A 42 -5.577 -0.684 -9.023 1.00 0.00 C ATOM 642 CG ARG A 42 -4.789 -1.479 -10.069 1.00 0.00 C ATOM 643 CD ARG A 42 -5.651 -2.628 -10.595 1.00 0.00 C ATOM 644 NE ARG A 42 -6.909 -2.079 -11.175 1.00 0.00 N ATOM 645 CZ ARG A 42 -7.654 -2.827 -11.942 1.00 0.00 C ATOM 646 NH1 ARG A 42 -7.298 -4.055 -12.200 1.00 0.00 N ATOM 647 NH2 ARG A 42 -8.756 -2.346 -12.450 1.00 0.00 N ATOM 0 H ARG A 42 -6.395 1.184 -7.532 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.963 -0.398 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.086 -1.366 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.347 -0.087 -9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.494 -0.826 -10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.872 -1.871 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.104 -3.190 -11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.883 -3.322 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.188 -1.119 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.437 -4.431 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.880 -4.640 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.034 -1.386 -12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.339 -2.930 -13.050 1.00 0.00 H new ATOM 661 N LEU A 43 -4.540 1.897 -9.975 1.00 0.00 N ATOM 662 CA LEU A 43 -3.863 2.747 -10.999 1.00 0.00 C ATOM 663 C LEU A 43 -2.960 3.784 -10.335 1.00 0.00 C ATOM 664 O LEU A 43 -2.085 4.334 -10.964 1.00 0.00 O ATOM 665 CB LEU A 43 -4.918 3.474 -11.840 1.00 0.00 C ATOM 666 CG LEU A 43 -5.995 2.487 -12.304 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.084 3.248 -13.065 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.368 1.434 -13.226 1.00 0.00 C ATOM 0 H LEU A 43 -5.552 2.013 -9.920 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.254 2.101 -11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.374 4.272 -11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.446 3.942 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.431 1.992 -11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.852 2.549 -13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.532 3.995 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.645 3.742 -13.931 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.136 0.734 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.930 1.926 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.591 0.893 -12.685 1.00 0.00 H new ATOM 680 N ALA A 44 -3.144 4.053 -9.073 1.00 0.00 N ATOM 681 CA ALA A 44 -2.260 5.060 -8.400 1.00 0.00 C ATOM 682 C ALA A 44 -1.046 4.351 -7.802 1.00 0.00 C ATOM 683 O ALA A 44 0.065 4.833 -7.908 1.00 0.00 O ATOM 684 CB ALA A 44 -3.034 5.803 -7.309 1.00 0.00 C ATOM 0 H ALA A 44 -3.857 3.628 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.922 5.790 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.379 6.531 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.885 6.319 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.390 5.090 -6.565 1.00 0.00 H new ATOM 690 N VAL A 45 -1.219 3.216 -7.197 1.00 0.00 N ATOM 691 CA VAL A 45 -0.041 2.508 -6.629 1.00 0.00 C ATOM 692 C VAL A 45 0.646 1.714 -7.742 1.00 0.00 C ATOM 693 O VAL A 45 1.822 1.423 -7.676 1.00 0.00 O ATOM 694 CB VAL A 45 -0.501 1.557 -5.522 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.679 0.699 -5.056 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.034 2.374 -4.340 1.00 0.00 C ATOM 0 H VAL A 45 -2.117 2.748 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 45 0.659 3.230 -6.209 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.289 0.909 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.348 0.023 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.061 0.118 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.469 1.345 -4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.362 1.699 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.244 3.021 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.875 2.984 -4.669 1.00 0.00 H new ATOM 706 N GLN A 46 -0.069 1.377 -8.778 1.00 0.00 N ATOM 707 CA GLN A 46 0.551 0.606 -9.892 1.00 0.00 C ATOM 708 C GLN A 46 1.246 1.560 -10.866 1.00 0.00 C ATOM 709 O GLN A 46 2.158 1.179 -11.572 1.00 0.00 O ATOM 710 CB GLN A 46 -0.545 -0.167 -10.634 1.00 0.00 C ATOM 711 CG GLN A 46 0.085 -1.122 -11.651 1.00 0.00 C ATOM 712 CD GLN A 46 0.827 -2.239 -10.915 1.00 0.00 C ATOM 713 OE1 GLN A 46 2.002 -2.117 -10.629 1.00 0.00 O ATOM 714 NE2 GLN A 46 0.187 -3.330 -10.595 1.00 0.00 N ATOM 0 H GLN A 46 -1.056 1.602 -8.902 1.00 0.00 H new ATOM 0 HA GLN A 46 1.288 -0.087 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.151 -0.728 -9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.213 0.529 -11.142 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.687 -1.546 -12.293 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.774 -0.578 -12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.799 -3.432 -10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.673 -4.081 -10.105 1.00 0.00 H new ATOM 723 N GLN A 47 0.817 2.794 -10.933 1.00 0.00 N ATOM 724 CA GLN A 47 1.453 3.745 -11.891 1.00 0.00 C ATOM 725 C GLN A 47 2.663 4.431 -11.267 1.00 0.00 C ATOM 726 O GLN A 47 3.779 4.297 -11.728 1.00 0.00 O ATOM 727 CB GLN A 47 0.438 4.818 -12.287 1.00 0.00 C ATOM 728 CG GLN A 47 -0.661 4.191 -13.151 1.00 0.00 C ATOM 729 CD GLN A 47 -0.129 3.954 -14.567 1.00 0.00 C ATOM 730 OE1 GLN A 47 -0.113 2.836 -15.043 1.00 0.00 O ATOM 731 NE2 GLN A 47 0.310 4.966 -15.264 1.00 0.00 N ATOM 0 H GLN A 47 0.060 3.181 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 47 1.779 3.179 -12.763 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.002 5.267 -11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.935 5.618 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.989 3.249 -12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.531 4.847 -13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.297 5.904 -14.865 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.667 4.819 -16.208 1.00 0.00 H new ATOM 740 N PHE A 48 2.439 5.199 -10.237 1.00 0.00 N ATOM 741 CA PHE A 48 3.558 5.938 -9.593 1.00 0.00 C ATOM 742 C PHE A 48 4.271 5.068 -8.558 1.00 0.00 C ATOM 743 O PHE A 48 5.233 5.511 -7.966 1.00 0.00 O ATOM 744 CB PHE A 48 3.002 7.181 -8.896 1.00 0.00 C ATOM 745 CG PHE A 48 2.470 8.149 -9.926 1.00 0.00 C ATOM 746 CD1 PHE A 48 1.155 8.024 -10.391 1.00 0.00 C ATOM 747 CD2 PHE A 48 3.291 9.173 -10.414 1.00 0.00 C ATOM 748 CE1 PHE A 48 0.661 8.924 -11.343 1.00 0.00 C ATOM 749 CE2 PHE A 48 2.797 10.072 -11.366 1.00 0.00 C ATOM 750 CZ PHE A 48 1.482 9.948 -11.831 1.00 0.00 C ATOM 0 H PHE A 48 1.523 5.346 -9.812 1.00 0.00 H new ATOM 0 HA PHE A 48 4.274 6.218 -10.365 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.208 6.897 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.784 7.658 -8.305 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.522 7.234 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.305 9.269 -10.056 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.353 8.828 -11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.430 10.862 -11.742 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.101 10.642 -12.566 1.00 0.00 H new ATOM 760 N ASP A 49 3.826 3.837 -8.347 1.00 0.00 N ATOM 761 CA ASP A 49 4.498 2.928 -7.342 1.00 0.00 C ATOM 762 C ASP A 49 5.270 3.734 -6.282 1.00 0.00 C ATOM 763 O ASP A 49 6.485 3.714 -6.271 1.00 0.00 O ATOM 764 CB ASP A 49 5.489 2.021 -8.066 1.00 0.00 C ATOM 765 CG ASP A 49 4.825 1.415 -9.304 1.00 0.00 C ATOM 766 OD1 ASP A 49 4.376 2.177 -10.144 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.776 0.199 -9.390 1.00 0.00 O ATOM 0 H ASP A 49 3.027 3.424 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 49 3.721 2.345 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.372 2.590 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.826 1.229 -7.398 1.00 0.00 H new ATOM 772 N PRO A 50 4.558 4.441 -5.440 1.00 0.00 N ATOM 773 CA PRO A 50 5.197 5.271 -4.407 1.00 0.00 C ATOM 774 C PRO A 50 6.093 4.406 -3.511 1.00 0.00 C ATOM 775 O PRO A 50 5.937 3.203 -3.432 1.00 0.00 O ATOM 776 CB PRO A 50 4.022 5.896 -3.620 1.00 0.00 C ATOM 777 CG PRO A 50 2.707 5.492 -4.348 1.00 0.00 C ATOM 778 CD PRO A 50 3.082 4.465 -5.438 1.00 0.00 C ATOM 0 HA PRO A 50 5.846 6.041 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.016 5.538 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.121 6.981 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.995 5.062 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.229 6.366 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.670 3.481 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.690 4.760 -6.411 1.00 0.00 H new ATOM 786 N THR A 51 7.026 5.017 -2.838 1.00 0.00 N ATOM 787 CA THR A 51 7.936 4.246 -1.944 1.00 0.00 C ATOM 788 C THR A 51 7.172 3.825 -0.688 1.00 0.00 C ATOM 789 O THR A 51 6.091 4.312 -0.420 1.00 0.00 O ATOM 790 CB THR A 51 9.120 5.130 -1.547 1.00 0.00 C ATOM 791 OG1 THR A 51 8.643 6.267 -0.841 1.00 0.00 O ATOM 792 CG2 THR A 51 9.864 5.583 -2.804 1.00 0.00 C ATOM 0 H THR A 51 7.199 6.022 -2.868 1.00 0.00 H new ATOM 0 HA THR A 51 8.300 3.360 -2.464 1.00 0.00 H new ATOM 0 HB THR A 51 9.800 4.564 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.901 7.082 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.707 6.213 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.229 4.710 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.187 6.150 -3.443 1.00 0.00 H new ATOM 800 N ALA A 52 7.719 2.930 0.089 1.00 0.00 N ATOM 801 CA ALA A 52 7.008 2.497 1.324 1.00 0.00 C ATOM 802 C ALA A 52 6.631 3.740 2.134 1.00 0.00 C ATOM 803 O ALA A 52 5.728 3.727 2.944 1.00 0.00 O ATOM 804 CB ALA A 52 7.928 1.599 2.154 1.00 0.00 C ATOM 0 H ALA A 52 8.621 2.483 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 52 6.109 1.940 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.408 1.282 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.206 0.722 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.827 2.152 2.427 1.00 0.00 H new ATOM 810 N LYS A 53 7.327 4.817 1.898 1.00 0.00 N ATOM 811 CA LYS A 53 7.042 6.090 2.621 1.00 0.00 C ATOM 812 C LYS A 53 5.546 6.401 2.549 1.00 0.00 C ATOM 813 O LYS A 53 4.851 6.419 3.551 1.00 0.00 O ATOM 814 CB LYS A 53 7.818 7.209 1.946 1.00 0.00 C ATOM 815 CG LYS A 53 9.311 6.875 1.952 1.00 0.00 C ATOM 816 CD LYS A 53 10.102 8.062 1.400 1.00 0.00 C ATOM 817 CE LYS A 53 11.591 7.862 1.685 1.00 0.00 C ATOM 818 NZ LYS A 53 12.362 9.012 1.134 1.00 0.00 N ATOM 0 H LYS A 53 8.092 4.871 1.226 1.00 0.00 H new ATOM 0 HA LYS A 53 7.338 5.998 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.469 7.341 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.644 8.151 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.639 6.646 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.498 5.987 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.936 8.155 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.755 8.988 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.759 7.779 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.936 6.931 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.375 8.876 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.211 9.071 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.039 9.893 1.582 1.00 0.00 H new ATOM 832 N ASP A 54 5.034 6.616 1.364 1.00 0.00 N ATOM 833 CA ASP A 54 3.577 6.885 1.202 1.00 0.00 C ATOM 834 C ASP A 54 2.784 5.904 2.062 1.00 0.00 C ATOM 835 O ASP A 54 1.939 6.299 2.840 1.00 0.00 O ATOM 836 CB ASP A 54 3.197 6.672 -0.269 1.00 0.00 C ATOM 837 CG ASP A 54 1.839 7.319 -0.556 1.00 0.00 C ATOM 838 OD1 ASP A 54 1.612 8.415 -0.069 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.050 6.708 -1.258 1.00 0.00 O ATOM 0 H ASP A 54 5.569 6.616 0.496 1.00 0.00 H new ATOM 0 HA ASP A 54 3.353 7.907 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.960 7.104 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.156 5.606 -0.492 1.00 0.00 H new ATOM 844 N LEU A 55 3.034 4.634 1.921 1.00 0.00 N ATOM 845 CA LEU A 55 2.271 3.634 2.732 1.00 0.00 C ATOM 846 C LEU A 55 2.205 4.096 4.190 1.00 0.00 C ATOM 847 O LEU A 55 1.279 3.778 4.909 1.00 0.00 O ATOM 848 CB LEU A 55 2.953 2.266 2.653 1.00 0.00 C ATOM 849 CG LEU A 55 3.217 1.900 1.188 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.822 0.494 1.116 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.900 1.935 0.395 1.00 0.00 C ATOM 0 H LEU A 55 3.728 4.242 1.285 1.00 0.00 H new ATOM 0 HA LEU A 55 1.260 3.550 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.891 2.285 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.323 1.508 3.119 1.00 0.00 H new ATOM 0 HG LEU A 55 3.913 2.620 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.010 0.232 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.760 0.473 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.127 -0.224 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.095 1.674 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.198 1.219 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.472 2.936 0.444 1.00 0.00 H new ATOM 863 N GLN A 56 3.173 4.855 4.630 1.00 0.00 N ATOM 864 CA GLN A 56 3.145 5.341 6.038 1.00 0.00 C ATOM 865 C GLN A 56 2.032 6.379 6.192 1.00 0.00 C ATOM 866 O GLN A 56 1.185 6.268 7.054 1.00 0.00 O ATOM 867 CB GLN A 56 4.487 5.983 6.401 1.00 0.00 C ATOM 868 CG GLN A 56 5.625 5.012 6.086 1.00 0.00 C ATOM 869 CD GLN A 56 5.488 3.764 6.960 1.00 0.00 C ATOM 870 OE1 GLN A 56 4.972 2.755 6.523 1.00 0.00 O ATOM 871 NE2 GLN A 56 5.932 3.791 8.187 1.00 0.00 N ATOM 0 H GLN A 56 3.976 5.157 4.079 1.00 0.00 H new ATOM 0 HA GLN A 56 2.962 4.497 6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.621 6.909 5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.502 6.244 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.600 4.735 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.587 5.492 6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.365 4.638 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.846 2.965 8.779 1.00 0.00 H new ATOM 880 N ASP A 57 2.034 7.400 5.372 1.00 0.00 N ATOM 881 CA ASP A 57 0.977 8.459 5.488 1.00 0.00 C ATOM 882 C ASP A 57 -0.225 8.124 4.596 1.00 0.00 C ATOM 883 O ASP A 57 -1.246 8.778 4.659 1.00 0.00 O ATOM 884 CB ASP A 57 1.558 9.810 5.066 1.00 0.00 C ATOM 885 CG ASP A 57 0.446 10.861 5.001 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.048 11.341 6.050 1.00 0.00 O ATOM 887 OD2 ASP A 57 0.011 11.168 3.903 1.00 0.00 O ATOM 0 H ASP A 57 2.717 7.548 4.629 1.00 0.00 H new ATOM 0 HA ASP A 57 0.644 8.505 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.324 10.123 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.041 9.719 4.093 1.00 0.00 H new ATOM 892 N LEU A 58 -0.132 7.108 3.783 1.00 0.00 N ATOM 893 CA LEU A 58 -1.294 6.742 2.914 1.00 0.00 C ATOM 894 C LEU A 58 -2.146 5.725 3.665 1.00 0.00 C ATOM 895 O LEU A 58 -3.346 5.655 3.501 1.00 0.00 O ATOM 896 CB LEU A 58 -0.792 6.132 1.599 1.00 0.00 C ATOM 897 CG LEU A 58 -1.962 5.971 0.606 1.00 0.00 C ATOM 898 CD1 LEU A 58 -2.222 7.291 -0.133 1.00 0.00 C ATOM 899 CD2 LEU A 58 -1.618 4.887 -0.421 1.00 0.00 C ATOM 0 H LEU A 58 0.692 6.516 3.680 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.883 7.629 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.022 6.769 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.332 5.162 1.791 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.855 5.689 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.050 7.161 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.473 8.068 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.327 7.582 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.445 4.774 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.718 5.174 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.446 3.941 0.092 1.00 0.00 H new ATOM 911 N LEU A 59 -1.530 4.954 4.510 1.00 0.00 N ATOM 912 CA LEU A 59 -2.280 3.949 5.312 1.00 0.00 C ATOM 913 C LEU A 59 -2.649 4.577 6.658 1.00 0.00 C ATOM 914 O LEU A 59 -3.586 4.164 7.307 1.00 0.00 O ATOM 915 CB LEU A 59 -1.395 2.717 5.532 1.00 0.00 C ATOM 916 CG LEU A 59 -2.225 1.555 6.111 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.907 0.775 4.980 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.300 0.606 6.882 1.00 0.00 C ATOM 0 H LEU A 59 -0.525 4.976 4.683 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.187 3.645 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.942 2.414 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.580 2.964 6.212 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.986 1.962 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.490 -0.043 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.567 1.442 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.150 0.371 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.884 -0.217 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.540 0.211 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.817 1.149 7.694 1.00 0.00 H new ATOM 930 N GLN A 60 -1.924 5.567 7.094 1.00 0.00 N ATOM 931 CA GLN A 60 -2.251 6.205 8.405 1.00 0.00 C ATOM 932 C GLN A 60 -3.226 7.370 8.203 1.00 0.00 C ATOM 933 O GLN A 60 -3.897 7.784 9.128 1.00 0.00 O ATOM 934 CB GLN A 60 -0.969 6.742 9.035 1.00 0.00 C ATOM 935 CG GLN A 60 -0.068 5.574 9.440 1.00 0.00 C ATOM 936 CD GLN A 60 1.301 6.107 9.863 1.00 0.00 C ATOM 937 OE1 GLN A 60 1.822 7.025 9.262 1.00 0.00 O ATOM 938 NE2 GLN A 60 1.911 5.565 10.882 1.00 0.00 N ATOM 0 H GLN A 60 -1.122 5.963 6.604 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.711 5.460 9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.448 7.389 8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.208 7.350 9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.522 5.018 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.042 4.880 8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.474 4.794 11.387 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.825 5.912 11.173 1.00 0.00 H new ATOM 947 N TYR A 61 -3.309 7.908 7.007 1.00 0.00 N ATOM 948 CA TYR A 61 -4.240 9.058 6.751 1.00 0.00 C ATOM 949 C TYR A 61 -5.422 8.605 5.891 1.00 0.00 C ATOM 950 O TYR A 61 -6.565 8.880 6.199 1.00 0.00 O ATOM 951 CB TYR A 61 -3.486 10.166 6.012 1.00 0.00 C ATOM 952 CG TYR A 61 -4.321 11.424 6.005 1.00 0.00 C ATOM 953 CD1 TYR A 61 -4.203 12.349 7.050 1.00 0.00 C ATOM 954 CD2 TYR A 61 -5.214 11.665 4.954 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.979 13.515 7.043 1.00 0.00 C ATOM 956 CE2 TYR A 61 -5.989 12.831 4.948 1.00 0.00 C ATOM 957 CZ TYR A 61 -5.872 13.756 5.992 1.00 0.00 C ATOM 958 OH TYR A 61 -6.636 14.905 5.985 1.00 0.00 O ATOM 0 H TYR A 61 -2.772 7.600 6.196 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.612 9.427 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.528 10.355 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.270 9.854 4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.514 12.163 7.861 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.305 10.952 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.888 14.228 7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.678 13.017 4.137 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.201 14.917 5.185 1.00 0.00 H new ATOM 968 N LEU A 62 -5.160 7.930 4.805 1.00 0.00 N ATOM 969 CA LEU A 62 -6.280 7.486 3.922 1.00 0.00 C ATOM 970 C LEU A 62 -7.084 6.383 4.619 1.00 0.00 C ATOM 971 O LEU A 62 -8.284 6.286 4.451 1.00 0.00 O ATOM 972 CB LEU A 62 -5.715 6.972 2.580 1.00 0.00 C ATOM 973 CG LEU A 62 -6.730 7.217 1.440 1.00 0.00 C ATOM 974 CD1 LEU A 62 -6.583 8.644 0.897 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.477 6.225 0.300 1.00 0.00 C ATOM 0 H LEU A 62 -4.226 7.667 4.491 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.941 8.330 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.776 7.479 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.493 5.908 2.655 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.736 7.081 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.303 8.804 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.768 9.359 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.573 8.784 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.194 6.401 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.465 6.361 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.591 5.207 0.672 1.00 0.00 H new ATOM 987 N CYS A 63 -6.439 5.564 5.413 1.00 0.00 N ATOM 988 CA CYS A 63 -7.166 4.476 6.143 1.00 0.00 C ATOM 989 C CYS A 63 -7.239 4.870 7.618 1.00 0.00 C ATOM 990 O CYS A 63 -7.361 6.033 7.948 1.00 0.00 O ATOM 991 CB CYS A 63 -6.386 3.165 5.996 1.00 0.00 C ATOM 992 SG CYS A 63 -5.760 3.028 4.304 1.00 0.00 S ATOM 0 H CYS A 63 -5.435 5.602 5.588 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.169 4.340 5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.559 3.139 6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.031 2.317 6.227 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.679 1.774 3.972 1.00 0.00 H new ATOM 998 N SER A 64 -7.122 3.928 8.515 1.00 0.00 N ATOM 999 CA SER A 64 -7.141 4.293 9.960 1.00 0.00 C ATOM 1000 C SER A 64 -6.548 3.153 10.793 1.00 0.00 C ATOM 1001 O SER A 64 -6.246 2.089 10.289 1.00 0.00 O ATOM 1002 CB SER A 64 -8.567 4.596 10.413 1.00 0.00 C ATOM 1003 OG SER A 64 -9.235 5.337 9.400 1.00 0.00 O ATOM 0 H SER A 64 -7.015 2.934 8.313 1.00 0.00 H new ATOM 0 HA SER A 64 -6.536 5.188 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.102 3.668 10.613 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.552 5.163 11.344 1.00 0.00 H new ATOM 0 HG SER A 64 -8.669 6.084 9.114 1.00 0.00 H new ATOM 1009 N SER A 65 -6.357 3.392 12.061 1.00 0.00 N ATOM 1010 CA SER A 65 -5.756 2.363 12.959 1.00 0.00 C ATOM 1011 C SER A 65 -6.282 0.960 12.639 1.00 0.00 C ATOM 1012 O SER A 65 -5.535 0.090 12.238 1.00 0.00 O ATOM 1013 CB SER A 65 -6.093 2.706 14.410 1.00 0.00 C ATOM 1014 OG SER A 65 -7.505 2.743 14.567 1.00 0.00 O ATOM 0 H SER A 65 -6.596 4.271 12.521 1.00 0.00 H new ATOM 0 HA SER A 65 -4.677 2.365 12.804 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.660 1.964 15.081 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.660 3.670 14.678 1.00 0.00 H new ATOM 0 HG SER A 65 -7.725 2.961 15.497 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.547 0.715 12.843 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.100 -0.647 12.584 1.00 0.00 C ATOM 1022 C LEU A 66 -7.698 -1.153 11.192 1.00 0.00 C ATOM 1023 O LEU A 66 -6.921 -2.079 11.070 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.635 -0.595 12.684 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.086 -0.629 14.157 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.795 -2.005 14.791 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.362 0.471 14.944 1.00 0.00 C ATOM 0 H LEU A 66 -8.224 1.400 13.179 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.694 -1.333 13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.005 0.312 12.206 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.068 -1.438 12.146 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.162 -0.457 14.193 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.122 -2.003 15.831 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.332 -2.779 14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.725 -2.206 14.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.683 0.445 15.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.286 0.307 14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.602 1.444 14.515 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.287 -0.604 10.154 1.00 0.00 N ATOM 1040 CA VAL A 67 -8.011 -1.093 8.760 1.00 0.00 C ATOM 1041 C VAL A 67 -6.553 -1.559 8.623 1.00 0.00 C ATOM 1042 O VAL A 67 -6.274 -2.695 8.294 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.286 0.032 7.762 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.172 -0.510 6.337 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.699 0.578 7.987 1.00 0.00 C ATOM 0 H VAL A 67 -8.952 0.167 10.212 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.665 -1.940 8.553 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.559 0.831 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.368 0.292 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.167 -0.900 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.899 -1.309 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.897 1.380 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.425 -0.222 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.782 0.965 9.003 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.628 -0.676 8.900 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.177 -1.023 8.826 1.00 0.00 C ATOM 1057 C ALA A 68 -3.898 -2.275 9.657 1.00 0.00 C ATOM 1058 O ALA A 68 -3.092 -3.110 9.298 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.370 0.136 9.413 1.00 0.00 C ATOM 0 H ALA A 68 -5.820 0.286 9.179 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.899 -1.205 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.307 -0.101 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.565 1.042 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.662 0.294 10.451 1.00 0.00 H new ATOM 1065 N SER A 69 -4.554 -2.399 10.772 1.00 0.00 N ATOM 1066 CA SER A 69 -4.340 -3.577 11.652 1.00 0.00 C ATOM 1067 C SER A 69 -4.468 -4.876 10.855 1.00 0.00 C ATOM 1068 O SER A 69 -3.521 -5.629 10.694 1.00 0.00 O ATOM 1069 CB SER A 69 -5.405 -3.562 12.755 1.00 0.00 C ATOM 1070 OG SER A 69 -4.972 -4.380 13.834 1.00 0.00 O ATOM 0 H SER A 69 -5.239 -1.726 11.116 1.00 0.00 H new ATOM 0 HA SER A 69 -3.339 -3.526 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.573 -2.542 13.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.355 -3.927 12.365 1.00 0.00 H new ATOM 0 HG SER A 69 -5.649 -4.372 14.543 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.645 -5.158 10.366 1.00 0.00 N ATOM 1077 CA LEU A 70 -5.842 -6.427 9.608 1.00 0.00 C ATOM 1078 C LEU A 70 -5.445 -6.262 8.137 1.00 0.00 C ATOM 1079 O LEU A 70 -5.090 -7.233 7.502 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.294 -6.911 9.721 1.00 0.00 C ATOM 1081 CG LEU A 70 -7.535 -7.553 11.091 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -7.405 -6.498 12.193 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -8.944 -8.152 11.124 1.00 0.00 C ATOM 0 H LEU A 70 -6.473 -4.570 10.457 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.191 -7.181 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.976 -6.073 9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.507 -7.632 8.931 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.795 -8.336 11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.578 -6.963 13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.403 -6.069 12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.141 -5.711 12.032 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.122 -8.611 12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.678 -7.364 10.955 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.036 -8.908 10.344 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.515 -5.097 7.553 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.140 -5.013 6.109 1.00 0.00 C ATOM 1097 C HIS A 71 -3.778 -5.724 5.918 1.00 0.00 C ATOM 1098 O HIS A 71 -3.550 -6.521 5.003 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.032 -3.536 5.701 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.246 -3.396 4.421 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -2.861 -3.351 4.407 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.637 -3.292 3.111 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.473 -3.226 3.125 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -3.517 -3.184 2.293 1.00 0.00 N ATOM 0 H HIS A 71 -5.806 -4.224 7.994 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.894 -5.494 5.486 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.029 -3.115 5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.548 -2.968 6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.660 -3.294 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.443 -3.167 2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.497 -3.093 1.277 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.859 -5.426 6.811 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.517 -6.048 6.718 1.00 0.00 C ATOM 1114 C HIS A 72 -1.634 -7.515 7.111 1.00 0.00 C ATOM 1115 O HIS A 72 -0.985 -8.349 6.511 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.510 -5.322 7.615 1.00 0.00 C ATOM 1117 CG HIS A 72 -0.093 -4.033 6.966 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.173 -3.851 6.432 1.00 0.00 N ATOM 1119 CD2 HIS A 72 -0.761 -2.853 6.760 1.00 0.00 C ATOM 1120 CE1 HIS A 72 1.227 -2.601 5.935 1.00 0.00 C ATOM 1121 NE2 HIS A 72 0.074 -1.950 6.109 1.00 0.00 N ATOM 0 H HIS A 72 -2.989 -4.782 7.591 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.150 -5.970 5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.954 -5.123 8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.362 -5.954 7.785 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.926 -4.539 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.780 -2.655 7.058 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.096 -2.177 5.454 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.461 -7.858 8.100 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.597 -9.315 8.466 1.00 0.00 C ATOM 1131 C GLN A 73 -2.622 -10.103 7.162 1.00 0.00 C ATOM 1132 O GLN A 73 -1.923 -11.077 7.005 1.00 0.00 O ATOM 1133 CB GLN A 73 -3.872 -9.593 9.268 1.00 0.00 C ATOM 1134 CG GLN A 73 -3.666 -9.147 10.720 1.00 0.00 C ATOM 1135 CD GLN A 73 -2.769 -10.153 11.444 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.738 -11.317 11.097 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -2.032 -9.750 12.443 1.00 0.00 N ATOM 0 H GLN A 73 -3.026 -7.210 8.648 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.761 -9.610 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.715 -9.060 8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.113 -10.655 9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.213 -8.156 10.746 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.628 -9.071 11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.058 -8.773 12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.430 -10.412 12.932 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.407 -9.669 6.198 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.414 -10.387 4.894 1.00 0.00 C ATOM 1148 C GLN A 74 -1.943 -10.525 4.503 1.00 0.00 C ATOM 1149 O GLN A 74 -1.341 -11.570 4.648 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.155 -9.540 3.856 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.569 -9.247 4.363 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.264 -8.269 3.415 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -5.766 -7.190 3.165 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -7.405 -8.601 2.876 1.00 0.00 N ATOM 0 H GLN A 74 -4.029 -8.863 6.262 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.909 -11.356 4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.618 -8.608 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.199 -10.067 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.141 -10.173 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.526 -8.826 5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.824 -9.507 3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.878 -7.954 2.245 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.339 -9.405 4.125 1.00 0.00 N ATOM 1164 CA LEU A 75 0.137 -9.352 3.835 1.00 0.00 C ATOM 1165 C LEU A 75 0.922 -10.287 4.767 1.00 0.00 C ATOM 1166 O LEU A 75 1.540 -11.226 4.308 1.00 0.00 O ATOM 1167 CB LEU A 75 0.585 -7.896 4.108 1.00 0.00 C ATOM 1168 CG LEU A 75 1.791 -7.526 3.232 1.00 0.00 C ATOM 1169 CD1 LEU A 75 2.222 -6.093 3.546 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.951 -8.483 3.525 1.00 0.00 C ATOM 0 H LEU A 75 -1.821 -8.514 4.005 1.00 0.00 H new ATOM 0 HA LEU A 75 0.326 -9.664 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.240 -7.213 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.845 -7.781 5.160 1.00 0.00 H new ATOM 0 HG LEU A 75 1.515 -7.604 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.078 -5.826 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.397 -5.411 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.498 -6.018 4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.806 -8.219 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.230 -8.406 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.644 -9.505 3.305 1.00 0.00 H new ATOM 1182 N ASP A 76 0.908 -10.023 6.056 1.00 0.00 N ATOM 1183 CA ASP A 76 1.652 -10.874 7.052 1.00 0.00 C ATOM 1184 C ASP A 76 1.853 -12.297 6.531 1.00 0.00 C ATOM 1185 O ASP A 76 2.935 -12.724 6.165 1.00 0.00 O ATOM 1186 CB ASP A 76 0.798 -10.966 8.327 1.00 0.00 C ATOM 1187 CG ASP A 76 1.631 -11.581 9.457 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.684 -11.041 9.752 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.199 -12.580 10.008 1.00 0.00 O ATOM 0 H ASP A 76 0.403 -9.239 6.469 1.00 0.00 H new ATOM 0 HA ASP A 76 2.627 -10.422 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.449 -9.975 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.087 -11.574 8.141 1.00 0.00 H new ATOM 1194 N SER A 77 0.776 -13.026 6.487 1.00 0.00 N ATOM 1195 CA SER A 77 0.814 -14.414 5.998 1.00 0.00 C ATOM 1196 C SER A 77 0.946 -14.420 4.484 1.00 0.00 C ATOM 1197 O SER A 77 1.508 -15.335 3.916 1.00 0.00 O ATOM 1198 CB SER A 77 -0.493 -15.098 6.375 1.00 0.00 C ATOM 1199 OG SER A 77 -0.525 -15.313 7.780 1.00 0.00 O ATOM 0 H SER A 77 -0.147 -12.703 6.778 1.00 0.00 H new ATOM 0 HA SER A 77 1.663 -14.935 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.339 -14.482 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.584 -16.048 5.848 1.00 0.00 H new ATOM 0 HG SER A 77 -1.366 -15.752 8.025 1.00 0.00 H new ATOM 1205 N LEU A 78 0.402 -13.436 3.805 1.00 0.00 N ATOM 1206 CA LEU A 78 0.487 -13.457 2.326 1.00 0.00 C ATOM 1207 C LEU A 78 1.936 -13.720 1.942 1.00 0.00 C ATOM 1208 O LEU A 78 2.238 -14.607 1.175 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.004 -12.114 1.745 1.00 0.00 C ATOM 1210 CG LEU A 78 -0.820 -12.364 0.479 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -1.582 -11.091 0.095 1.00 0.00 C ATOM 1212 CD2 LEU A 78 0.117 -12.764 -0.660 1.00 0.00 C ATOM 0 H LEU A 78 -0.086 -12.637 4.210 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.149 -14.242 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.612 -11.589 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.848 -11.472 1.519 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.533 -13.168 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.163 -11.273 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.253 -10.810 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.873 -10.283 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.465 -12.943 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.832 -11.962 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.653 -13.673 -0.388 1.00 0.00 H new ATOM 1224 N ILE A 79 2.842 -12.974 2.526 1.00 0.00 N ATOM 1225 CA ILE A 79 4.277 -13.199 2.257 1.00 0.00 C ATOM 1226 C ILE A 79 4.562 -14.669 2.553 1.00 0.00 C ATOM 1227 O ILE A 79 5.131 -15.369 1.739 1.00 0.00 O ATOM 1228 CB ILE A 79 5.118 -12.228 3.161 1.00 0.00 C ATOM 1229 CG1 ILE A 79 6.331 -11.672 2.380 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.657 -12.917 4.428 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.890 -10.900 1.123 1.00 0.00 C ATOM 0 H ILE A 79 2.638 -12.218 3.179 1.00 0.00 H new ATOM 0 HA ILE A 79 4.548 -12.990 1.222 1.00 0.00 H new ATOM 0 HB ILE A 79 4.439 -11.427 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.911 -11.014 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.987 -12.494 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.231 -12.200 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.823 -13.289 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.300 -13.750 4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.769 -10.524 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.333 -11.566 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.256 -10.063 1.414 1.00 0.00 H new ATOM 1243 N SER A 80 4.184 -15.142 3.716 1.00 0.00 N ATOM 1244 CA SER A 80 4.453 -16.569 4.046 1.00 0.00 C ATOM 1245 C SER A 80 4.082 -17.454 2.855 1.00 0.00 C ATOM 1246 O SER A 80 4.841 -18.316 2.457 1.00 0.00 O ATOM 1247 CB SER A 80 3.632 -16.992 5.263 1.00 0.00 C ATOM 1248 OG SER A 80 3.734 -15.993 6.269 1.00 0.00 O ATOM 0 H SER A 80 3.707 -14.606 4.441 1.00 0.00 H new ATOM 0 HA SER A 80 5.513 -16.682 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.589 -17.135 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.992 -17.947 5.645 1.00 0.00 H new ATOM 0 HG SER A 80 3.343 -16.328 7.103 1.00 0.00 H new ATOM 1254 N GLU A 81 2.920 -17.264 2.282 1.00 0.00 N ATOM 1255 CA GLU A 81 2.521 -18.121 1.132 1.00 0.00 C ATOM 1256 C GLU A 81 3.021 -17.525 -0.187 1.00 0.00 C ATOM 1257 O GLU A 81 3.149 -18.219 -1.173 1.00 0.00 O ATOM 1258 CB GLU A 81 0.994 -18.218 1.088 1.00 0.00 C ATOM 1259 CG GLU A 81 0.470 -18.693 2.446 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.059 -18.655 2.445 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.608 -17.689 1.941 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.656 -19.593 2.948 1.00 0.00 O ATOM 0 H GLU A 81 2.238 -16.558 2.560 1.00 0.00 H new ATOM 0 HA GLU A 81 2.963 -19.109 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.565 -17.247 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.686 -18.911 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.819 -19.706 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.860 -18.057 3.241 1.00 0.00 H new ATOM 1269 N ALA A 82 3.240 -16.242 -0.256 1.00 0.00 N ATOM 1270 CA ALA A 82 3.651 -15.671 -1.567 1.00 0.00 C ATOM 1271 C ALA A 82 5.007 -16.241 -1.961 1.00 0.00 C ATOM 1272 O ALA A 82 5.294 -16.515 -3.109 1.00 0.00 O ATOM 1273 CB ALA A 82 3.767 -14.149 -1.454 1.00 0.00 C ATOM 0 H ALA A 82 3.155 -15.580 0.515 1.00 0.00 H new ATOM 0 HA ALA A 82 2.905 -15.926 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.068 -13.735 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.803 -13.731 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.513 -13.896 -0.700 1.00 0.00 H new ATOM 1279 N GLU A 83 5.856 -16.377 -0.965 1.00 0.00 N ATOM 1280 CA GLU A 83 7.236 -16.883 -1.196 1.00 0.00 C ATOM 1281 C GLU A 83 7.235 -18.409 -1.198 1.00 0.00 C ATOM 1282 O GLU A 83 8.027 -19.031 -1.876 1.00 0.00 O ATOM 1283 CB GLU A 83 8.173 -16.358 -0.102 1.00 0.00 C ATOM 1284 CG GLU A 83 7.794 -16.968 1.258 1.00 0.00 C ATOM 1285 CD GLU A 83 8.429 -18.355 1.406 1.00 0.00 C ATOM 1286 OE1 GLU A 83 9.643 -18.442 1.326 1.00 0.00 O ATOM 1287 OE2 GLU A 83 7.688 -19.306 1.598 1.00 0.00 O ATOM 0 H GLU A 83 5.641 -16.154 0.007 1.00 0.00 H new ATOM 0 HA GLU A 83 7.590 -16.529 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.205 -16.608 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.112 -15.271 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.131 -16.317 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.710 -17.044 1.342 1.00 0.00 H new ATOM 1294 N THR A 84 6.337 -19.031 -0.477 1.00 0.00 N ATOM 1295 CA THR A 84 6.302 -20.514 -0.501 1.00 0.00 C ATOM 1296 C THR A 84 6.091 -20.928 -1.960 1.00 0.00 C ATOM 1297 O THR A 84 6.783 -21.767 -2.502 1.00 0.00 O ATOM 1298 CB THR A 84 5.161 -21.017 0.426 1.00 0.00 C ATOM 1299 OG1 THR A 84 5.599 -22.195 1.086 1.00 0.00 O ATOM 1300 CG2 THR A 84 3.860 -21.332 -0.327 1.00 0.00 C ATOM 0 H THR A 84 5.640 -18.581 0.116 1.00 0.00 H new ATOM 0 HA THR A 84 7.227 -20.956 -0.130 1.00 0.00 H new ATOM 0 HB THR A 84 4.940 -20.214 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.889 -22.523 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 84 3.105 -21.678 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 84 3.503 -20.432 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.047 -22.110 -1.068 1.00 0.00 H new ATOM 1308 N ARG A 85 5.110 -20.321 -2.581 1.00 0.00 N ATOM 1309 CA ARG A 85 4.769 -20.611 -3.999 1.00 0.00 C ATOM 1310 C ARG A 85 6.028 -20.823 -4.825 1.00 0.00 C ATOM 1311 O ARG A 85 6.127 -21.764 -5.586 1.00 0.00 O ATOM 1312 CB ARG A 85 3.995 -19.408 -4.562 1.00 0.00 C ATOM 1313 CG ARG A 85 3.871 -19.501 -6.100 1.00 0.00 C ATOM 1314 CD ARG A 85 5.144 -18.978 -6.819 1.00 0.00 C ATOM 1315 NE ARG A 85 4.722 -18.169 -7.999 1.00 0.00 N ATOM 1316 CZ ARG A 85 5.591 -17.437 -8.638 1.00 0.00 C ATOM 1317 NH1 ARG A 85 6.838 -17.423 -8.257 1.00 0.00 N ATOM 1318 NH2 ARG A 85 5.214 -16.725 -9.664 1.00 0.00 N ATOM 0 H ARG A 85 4.516 -19.615 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 85 4.169 -21.520 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.002 -19.368 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.504 -18.483 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.692 -20.537 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.006 -18.925 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.742 -18.372 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.770 -19.812 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 85 3.750 -18.189 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.134 -17.985 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.518 -16.850 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.240 -16.741 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.893 -16.152 -10.164 1.00 0.00 H new ATOM 1332 N GLY A 86 6.989 -19.941 -4.694 1.00 0.00 N ATOM 1333 CA GLY A 86 8.253 -20.070 -5.489 1.00 0.00 C ATOM 1334 C GLY A 86 8.559 -18.736 -6.184 1.00 0.00 C ATOM 1335 O GLY A 86 8.754 -18.683 -7.382 1.00 0.00 O ATOM 0 H GLY A 86 6.953 -19.135 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.079 -20.350 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.150 -20.863 -6.230 1.00 0.00 H new ATOM 1339 N ILE A 87 8.627 -17.663 -5.439 1.00 0.00 N ATOM 1340 CA ILE A 87 8.951 -16.337 -6.051 1.00 0.00 C ATOM 1341 C ILE A 87 10.368 -16.422 -6.628 1.00 0.00 C ATOM 1342 O ILE A 87 10.605 -16.228 -7.804 1.00 0.00 O ATOM 1343 CB ILE A 87 8.892 -15.262 -4.936 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.450 -14.760 -4.784 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.818 -14.078 -5.259 1.00 0.00 C ATOM 1346 CD1 ILE A 87 7.323 -13.862 -3.548 1.00 0.00 C ATOM 0 H ILE A 87 8.472 -17.647 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 87 8.247 -16.076 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 87 9.228 -15.715 -4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.155 -14.206 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.771 -15.608 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.756 -13.339 -4.460 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.845 -14.433 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.510 -13.621 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.294 -13.515 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.597 -14.428 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.988 -13.004 -3.652 1.00 0.00 H new ATOM 1358 N THR A 88 11.285 -16.734 -5.771 1.00 0.00 N ATOM 1359 CA THR A 88 12.710 -16.867 -6.183 1.00 0.00 C ATOM 1360 C THR A 88 13.516 -17.452 -5.033 1.00 0.00 C ATOM 1361 O THR A 88 14.513 -16.887 -4.629 1.00 0.00 O ATOM 1362 CB THR A 88 13.280 -15.485 -6.540 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.340 -14.762 -7.321 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.578 -15.654 -7.331 1.00 0.00 C ATOM 0 H THR A 88 11.110 -16.907 -4.781 1.00 0.00 H new ATOM 0 HA THR A 88 12.771 -17.523 -7.052 1.00 0.00 H new ATOM 0 HB THR A 88 13.483 -14.934 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.900 -15.371 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.981 -14.673 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.303 -16.200 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.376 -16.210 -8.247 1.00 0.00 H new ATOM 1372 N SER A 89 13.106 -18.571 -4.490 1.00 0.00 N ATOM 1373 CA SER A 89 13.884 -19.150 -3.355 1.00 0.00 C ATOM 1374 C SER A 89 14.157 -18.035 -2.340 1.00 0.00 C ATOM 1375 O SER A 89 15.042 -18.135 -1.518 1.00 0.00 O ATOM 1376 CB SER A 89 15.216 -19.689 -3.881 1.00 0.00 C ATOM 1377 OG SER A 89 14.978 -20.471 -5.045 1.00 0.00 O ATOM 0 H SER A 89 12.282 -19.099 -4.777 1.00 0.00 H new ATOM 0 HA SER A 89 13.324 -19.960 -2.887 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.889 -18.864 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.705 -20.293 -3.116 1.00 0.00 H new ATOM 0 HG SER A 89 15.829 -20.817 -5.386 1.00 0.00 H new ATOM 1383 N TYR A 90 13.376 -16.981 -2.419 1.00 0.00 N ATOM 1384 CA TYR A 90 13.508 -15.797 -1.509 1.00 0.00 C ATOM 1385 C TYR A 90 14.966 -15.331 -1.371 1.00 0.00 C ATOM 1386 O TYR A 90 15.865 -16.094 -1.084 1.00 0.00 O ATOM 1387 CB TYR A 90 12.904 -16.106 -0.138 1.00 0.00 C ATOM 1388 CG TYR A 90 13.357 -17.463 0.345 1.00 0.00 C ATOM 1389 CD1 TYR A 90 12.616 -18.606 0.021 1.00 0.00 C ATOM 1390 CD2 TYR A 90 14.519 -17.578 1.118 1.00 0.00 C ATOM 1391 CE1 TYR A 90 13.037 -19.864 0.469 1.00 0.00 C ATOM 1392 CE2 TYR A 90 14.940 -18.836 1.566 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.199 -19.979 1.241 1.00 0.00 C ATOM 1394 OH TYR A 90 14.614 -21.219 1.683 1.00 0.00 O ATOM 0 H TYR A 90 12.625 -16.892 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 90 12.952 -14.976 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.202 -15.340 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.816 -16.080 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.719 -18.517 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 90 15.090 -16.696 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.465 -20.745 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.836 -18.925 2.162 1.00 0.00 H new ATOM 0 HH TYR A 90 15.438 -21.122 2.204 1.00 0.00 H new ATOM 1404 N ASN A 91 15.199 -14.055 -1.577 1.00 0.00 N ATOM 1405 CA ASN A 91 16.584 -13.504 -1.475 1.00 0.00 C ATOM 1406 C ASN A 91 16.598 -12.152 -0.705 1.00 0.00 C ATOM 1407 O ASN A 91 17.315 -12.045 0.270 1.00 0.00 O ATOM 1408 CB ASN A 91 17.181 -13.339 -2.912 1.00 0.00 C ATOM 1409 CG ASN A 91 18.392 -14.269 -3.110 1.00 0.00 C ATOM 1410 OD1 ASN A 91 19.522 -13.823 -3.110 1.00 0.00 O ATOM 1411 ND2 ASN A 91 18.196 -15.549 -3.277 1.00 0.00 N ATOM 0 H ASN A 91 14.482 -13.369 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 91 17.202 -14.201 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.417 -13.565 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.482 -12.303 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 91 18.991 -16.174 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 91 17.247 -15.924 -3.277 1.00 0.00 H new ATOM 1418 N PRO A 92 15.855 -11.131 -1.152 1.00 0.00 N ATOM 1419 CA PRO A 92 15.872 -9.815 -0.476 1.00 0.00 C ATOM 1420 C PRO A 92 14.780 -9.709 0.591 1.00 0.00 C ATOM 1421 O PRO A 92 14.919 -8.958 1.535 1.00 0.00 O ATOM 1422 CB PRO A 92 15.572 -8.822 -1.619 1.00 0.00 C ATOM 1423 CG PRO A 92 14.946 -9.654 -2.779 1.00 0.00 C ATOM 1424 CD PRO A 92 14.962 -11.136 -2.335 1.00 0.00 C ATOM 0 HA PRO A 92 16.816 -9.633 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.885 -8.044 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.484 -8.323 -1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.927 -9.324 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.515 -9.521 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.963 -11.491 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.342 -11.787 -3.122 1.00 0.00 H new ATOM 1432 N LEU A 93 13.692 -10.430 0.454 1.00 0.00 N ATOM 1433 CA LEU A 93 12.609 -10.319 1.483 1.00 0.00 C ATOM 1434 C LEU A 93 13.267 -10.399 2.846 1.00 0.00 C ATOM 1435 O LEU A 93 13.135 -9.504 3.635 1.00 0.00 O ATOM 1436 CB LEU A 93 11.570 -11.423 1.288 1.00 0.00 C ATOM 1437 CG LEU A 93 11.330 -11.636 -0.233 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.131 -12.848 -0.713 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.829 -11.854 -0.523 1.00 0.00 C ATOM 0 H LEU A 93 13.508 -11.079 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 93 12.077 -9.372 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.916 -12.349 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.637 -11.152 1.781 1.00 0.00 H new ATOM 0 HG LEU A 93 11.659 -10.745 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.962 -12.997 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.192 -12.677 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.810 -13.735 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.683 -12.001 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.479 -12.734 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.265 -10.980 -0.196 1.00 0.00 H new ATOM 1451 N ALA A 94 13.979 -11.475 3.067 1.00 0.00 N ATOM 1452 CA ALA A 94 14.740 -11.724 4.342 1.00 0.00 C ATOM 1453 C ALA A 94 14.727 -10.480 5.250 1.00 0.00 C ATOM 1454 O ALA A 94 14.326 -10.527 6.396 1.00 0.00 O ATOM 1455 CB ALA A 94 16.181 -12.047 3.946 1.00 0.00 C ATOM 0 H ALA A 94 14.070 -12.229 2.386 1.00 0.00 H new ATOM 0 HA ALA A 94 14.280 -12.542 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.771 -12.235 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.194 -12.933 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.607 -11.204 3.402 1.00 0.00 H new ATOM 1461 N GLY A 95 15.140 -9.364 4.709 1.00 0.00 N ATOM 1462 CA GLY A 95 15.140 -8.082 5.485 1.00 0.00 C ATOM 1463 C GLY A 95 13.683 -7.641 5.739 1.00 0.00 C ATOM 1464 O GLY A 95 12.773 -8.419 5.555 1.00 0.00 O ATOM 0 H GLY A 95 15.482 -9.282 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.662 -8.217 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.675 -7.309 4.933 1.00 0.00 H new ATOM 1468 N PRO A 96 13.482 -6.413 6.170 1.00 0.00 N ATOM 1469 CA PRO A 96 12.113 -5.924 6.432 1.00 0.00 C ATOM 1470 C PRO A 96 11.389 -5.784 5.078 1.00 0.00 C ATOM 1471 O PRO A 96 12.000 -5.983 4.052 1.00 0.00 O ATOM 1472 CB PRO A 96 12.312 -4.563 7.128 1.00 0.00 C ATOM 1473 CG PRO A 96 13.846 -4.265 7.129 1.00 0.00 C ATOM 1474 CD PRO A 96 14.560 -5.464 6.458 1.00 0.00 C ATOM 0 HA PRO A 96 11.510 -6.585 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.768 -3.779 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.925 -4.591 8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.057 -3.343 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.208 -4.126 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.076 -5.160 5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.309 -5.901 7.118 1.00 0.00 H new ATOM 1482 N LEU A 97 10.121 -5.440 5.019 1.00 0.00 N ATOM 1483 CA LEU A 97 9.480 -5.313 3.668 1.00 0.00 C ATOM 1484 C LEU A 97 9.863 -3.948 3.064 1.00 0.00 C ATOM 1485 O LEU A 97 10.445 -3.869 1.993 1.00 0.00 O ATOM 1486 CB LEU A 97 7.955 -5.430 3.783 1.00 0.00 C ATOM 1487 CG LEU A 97 7.540 -6.891 4.029 1.00 0.00 C ATOM 1488 CD1 LEU A 97 7.820 -7.756 2.784 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.311 -7.451 5.232 1.00 0.00 C ATOM 0 H LEU A 97 9.519 -5.247 5.820 1.00 0.00 H new ATOM 0 HA LEU A 97 9.833 -6.116 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.597 -4.803 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.487 -5.062 2.870 1.00 0.00 H new ATOM 0 HG LEU A 97 6.470 -6.917 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.519 -8.785 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.255 -7.368 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.885 -7.727 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.015 -8.486 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.381 -7.408 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.085 -6.857 6.118 1.00 0.00 H new ATOM 1501 N ARG A 98 9.525 -2.874 3.736 1.00 0.00 N ATOM 1502 CA ARG A 98 9.856 -1.500 3.230 1.00 0.00 C ATOM 1503 C ARG A 98 11.252 -1.509 2.572 1.00 0.00 C ATOM 1504 O ARG A 98 11.560 -0.731 1.698 1.00 0.00 O ATOM 1505 CB ARG A 98 9.855 -0.550 4.446 1.00 0.00 C ATOM 1506 CG ARG A 98 10.730 0.682 4.178 1.00 0.00 C ATOM 1507 CD ARG A 98 10.358 1.807 5.148 1.00 0.00 C ATOM 1508 NE ARG A 98 10.464 1.313 6.549 1.00 0.00 N ATOM 1509 CZ ARG A 98 10.493 2.162 7.540 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.433 3.444 7.302 1.00 0.00 N ATOM 1511 NH2 ARG A 98 10.582 1.731 8.768 1.00 0.00 N ATOM 0 H ARG A 98 9.027 -2.889 4.626 1.00 0.00 H new ATOM 0 HA ARG A 98 9.129 -1.175 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.835 -0.236 4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.223 -1.078 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.783 0.423 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.596 1.017 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.020 2.661 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.343 2.152 4.949 1.00 0.00 H new ATOM 0 HE ARG A 98 10.514 0.311 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.363 3.782 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.456 4.108 8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.629 0.729 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.605 2.396 9.541 1.00 0.00 H new ATOM 1525 N VAL A 99 12.075 -2.410 3.023 1.00 0.00 N ATOM 1526 CA VAL A 99 13.464 -2.536 2.489 1.00 0.00 C ATOM 1527 C VAL A 99 13.446 -3.111 1.064 1.00 0.00 C ATOM 1528 O VAL A 99 14.073 -2.567 0.178 1.00 0.00 O ATOM 1529 CB VAL A 99 14.306 -3.423 3.459 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.224 -4.398 2.690 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.183 -2.509 4.336 1.00 0.00 C ATOM 0 H VAL A 99 11.841 -3.081 3.755 1.00 0.00 H new ATOM 0 HA VAL A 99 13.926 -1.551 2.430 1.00 0.00 H new ATOM 0 HB VAL A 99 13.616 -4.009 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.794 -4.998 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.617 -5.054 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.910 -3.832 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.776 -3.119 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.848 -1.924 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.546 -1.836 4.911 1.00 0.00 H new ATOM 1541 N GLN A 100 12.776 -4.194 0.821 1.00 0.00 N ATOM 1542 CA GLN A 100 12.806 -4.743 -0.570 1.00 0.00 C ATOM 1543 C GLN A 100 12.360 -3.676 -1.572 1.00 0.00 C ATOM 1544 O GLN A 100 13.028 -3.443 -2.559 1.00 0.00 O ATOM 1545 CB GLN A 100 11.911 -5.995 -0.709 1.00 0.00 C ATOM 1546 CG GLN A 100 11.681 -6.626 0.653 1.00 0.00 C ATOM 1547 CD GLN A 100 13.018 -6.970 1.313 1.00 0.00 C ATOM 1548 OE1 GLN A 100 13.062 -7.323 2.472 1.00 0.00 O ATOM 1549 NE2 GLN A 100 14.115 -6.901 0.619 1.00 0.00 N ATOM 0 H GLN A 100 12.221 -4.717 1.498 1.00 0.00 H new ATOM 0 HA GLN A 100 13.834 -5.036 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.956 -5.721 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.382 -6.716 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.120 -5.941 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.078 -7.528 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.084 -6.605 -0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.007 -7.143 1.050 1.00 0.00 H new ATOM 1558 N ALA A 101 11.231 -3.042 -1.369 1.00 0.00 N ATOM 1559 CA ALA A 101 10.793 -2.028 -2.384 1.00 0.00 C ATOM 1560 C ALA A 101 11.592 -0.734 -2.214 1.00 0.00 C ATOM 1561 O ALA A 101 11.994 -0.134 -3.191 1.00 0.00 O ATOM 1562 CB ALA A 101 9.291 -1.764 -2.276 1.00 0.00 C ATOM 0 H ALA A 101 10.609 -3.174 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 101 10.988 -2.425 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.997 -1.026 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.745 -2.692 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.059 -1.386 -1.280 1.00 0.00 H new ATOM 1568 N ASN A 102 11.861 -0.297 -1.024 1.00 0.00 N ATOM 1569 CA ASN A 102 12.670 0.948 -0.896 1.00 0.00 C ATOM 1570 C ASN A 102 14.107 0.637 -1.335 1.00 0.00 C ATOM 1571 O ASN A 102 15.059 1.124 -0.759 1.00 0.00 O ATOM 1572 CB ASN A 102 12.673 1.438 0.555 1.00 0.00 C ATOM 1573 CG ASN A 102 13.280 2.842 0.615 1.00 0.00 C ATOM 1574 OD1 ASN A 102 14.343 3.032 1.171 1.00 0.00 O ATOM 1575 ND2 ASN A 102 12.645 3.839 0.063 1.00 0.00 N ATOM 0 H ASN A 102 11.567 -0.732 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 102 12.240 1.729 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.656 1.452 0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.247 0.754 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.041 4.778 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.752 3.679 -0.404 1.00 0.00 H new ATOM 1582 N ASN A 103 14.265 -0.190 -2.350 1.00 0.00 N ATOM 1583 CA ASN A 103 15.631 -0.565 -2.835 1.00 0.00 C ATOM 1584 C ASN A 103 15.721 -0.351 -4.365 1.00 0.00 C ATOM 1585 O ASN A 103 15.234 -1.179 -5.109 1.00 0.00 O ATOM 1586 CB ASN A 103 15.861 -2.049 -2.543 1.00 0.00 C ATOM 1587 CG ASN A 103 17.293 -2.429 -2.922 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.527 -3.484 -3.478 1.00 0.00 O ATOM 1589 ND2 ASN A 103 18.269 -1.609 -2.644 1.00 0.00 N ATOM 0 H ASN A 103 13.497 -0.622 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 103 16.377 0.051 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.687 -2.254 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.152 -2.655 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 103 19.227 -1.854 -2.893 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.074 -0.723 -2.177 1.00 0.00 H new ATOM 1596 N PRO A 104 16.339 0.732 -4.814 1.00 0.00 N ATOM 1597 CA PRO A 104 16.469 0.991 -6.264 1.00 0.00 C ATOM 1598 C PRO A 104 17.179 -0.184 -6.952 1.00 0.00 C ATOM 1599 O PRO A 104 17.024 -0.399 -8.138 1.00 0.00 O ATOM 1600 CB PRO A 104 17.296 2.296 -6.363 1.00 0.00 C ATOM 1601 CG PRO A 104 17.429 2.867 -4.924 1.00 0.00 C ATOM 1602 CD PRO A 104 16.950 1.770 -3.950 1.00 0.00 C ATOM 0 HA PRO A 104 15.505 1.094 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.279 2.097 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.803 3.015 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.462 3.143 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.829 3.770 -4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.781 1.364 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.228 2.164 -3.235 1.00 0.00 H new ATOM 1610 N GLN A 105 17.950 -0.948 -6.228 1.00 0.00 N ATOM 1611 CA GLN A 105 18.651 -2.101 -6.865 1.00 0.00 C ATOM 1612 C GLN A 105 17.673 -3.270 -7.022 1.00 0.00 C ATOM 1613 O GLN A 105 17.314 -3.644 -8.121 1.00 0.00 O ATOM 1614 CB GLN A 105 19.834 -2.529 -5.994 1.00 0.00 C ATOM 1615 CG GLN A 105 20.755 -1.331 -5.758 1.00 0.00 C ATOM 1616 CD GLN A 105 21.880 -1.732 -4.802 1.00 0.00 C ATOM 1617 OE1 GLN A 105 22.921 -2.191 -5.228 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.713 -1.576 -3.517 1.00 0.00 N ATOM 0 H GLN A 105 18.125 -0.826 -5.230 1.00 0.00 H new ATOM 0 HA GLN A 105 19.019 -1.804 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.475 -2.918 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.385 -3.334 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.173 -0.988 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.188 -0.499 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.839 -1.191 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.457 -1.839 -2.870 1.00 0.00 H new ATOM 1627 N GLN A 106 17.238 -3.851 -5.935 1.00 0.00 N ATOM 1628 CA GLN A 106 16.281 -4.996 -6.029 1.00 0.00 C ATOM 1629 C GLN A 106 14.848 -4.462 -6.095 1.00 0.00 C ATOM 1630 O GLN A 106 14.157 -4.385 -5.098 1.00 0.00 O ATOM 1631 CB GLN A 106 16.436 -5.889 -4.796 1.00 0.00 C ATOM 1632 CG GLN A 106 17.900 -6.313 -4.654 1.00 0.00 C ATOM 1633 CD GLN A 106 18.311 -7.148 -5.869 1.00 0.00 C ATOM 1634 OE1 GLN A 106 18.079 -8.340 -5.908 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.915 -6.568 -6.870 1.00 0.00 N ATOM 0 H GLN A 106 17.503 -3.584 -4.987 1.00 0.00 H new ATOM 0 HA GLN A 106 16.493 -5.574 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.113 -5.354 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.799 -6.769 -4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.538 -5.433 -4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.035 -6.891 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.110 -5.567 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.192 -7.115 -7.685 1.00 0.00 H new ATOM 1644 N GLN A 107 14.397 -4.084 -7.263 1.00 0.00 N ATOM 1645 CA GLN A 107 13.009 -3.545 -7.401 1.00 0.00 C ATOM 1646 C GLN A 107 12.032 -4.677 -7.741 1.00 0.00 C ATOM 1647 O GLN A 107 10.837 -4.485 -7.757 1.00 0.00 O ATOM 1648 CB GLN A 107 12.981 -2.505 -8.524 1.00 0.00 C ATOM 1649 CG GLN A 107 13.713 -3.056 -9.749 1.00 0.00 C ATOM 1650 CD GLN A 107 13.484 -2.126 -10.942 1.00 0.00 C ATOM 1651 OE1 GLN A 107 12.391 -2.051 -11.466 1.00 0.00 O ATOM 1652 NE2 GLN A 107 14.476 -1.410 -11.395 1.00 0.00 N ATOM 0 H GLN A 107 14.931 -4.125 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 107 12.711 -3.087 -6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.951 -2.261 -8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.453 -1.581 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.779 -3.141 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 107 13.352 -4.058 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 107 15.394 -1.473 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 107 14.334 -0.787 -12.190 1.00 0.00 H new ATOM 1661 N GLY A 108 12.514 -5.859 -8.011 1.00 0.00 N ATOM 1662 CA GLY A 108 11.573 -6.973 -8.338 1.00 0.00 C ATOM 1663 C GLY A 108 10.483 -7.032 -7.263 1.00 0.00 C ATOM 1664 O GLY A 108 9.302 -7.010 -7.546 1.00 0.00 O ATOM 0 H GLY A 108 13.505 -6.102 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.126 -6.814 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.111 -7.920 -8.382 1.00 0.00 H new ATOM 1668 N LEU A 109 10.889 -7.098 -6.029 1.00 0.00 N ATOM 1669 CA LEU A 109 9.911 -7.150 -4.911 1.00 0.00 C ATOM 1670 C LEU A 109 9.131 -5.837 -4.833 1.00 0.00 C ATOM 1671 O LEU A 109 8.319 -5.656 -3.961 1.00 0.00 O ATOM 1672 CB LEU A 109 10.639 -7.410 -3.594 1.00 0.00 C ATOM 1673 CG LEU A 109 11.079 -8.877 -3.519 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.862 -9.813 -3.393 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.893 -9.252 -4.765 1.00 0.00 C ATOM 0 H LEU A 109 11.868 -7.118 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 109 9.209 -7.963 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.508 -6.757 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.985 -7.175 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 109 11.701 -8.996 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.202 -10.847 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.307 -9.568 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.214 -9.687 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 109 12.199 -10.296 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.281 -9.109 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.777 -8.618 -4.826 1.00 0.00 H new ATOM 1687 N ARG A 110 9.330 -4.940 -5.763 1.00 0.00 N ATOM 1688 CA ARG A 110 8.538 -3.662 -5.759 1.00 0.00 C ATOM 1689 C ARG A 110 7.343 -3.868 -6.686 1.00 0.00 C ATOM 1690 O ARG A 110 6.243 -3.427 -6.408 1.00 0.00 O ATOM 1691 CB ARG A 110 9.392 -2.484 -6.254 1.00 0.00 C ATOM 1692 CG ARG A 110 8.629 -1.159 -6.074 1.00 0.00 C ATOM 1693 CD ARG A 110 9.239 -0.062 -6.979 1.00 0.00 C ATOM 1694 NE ARG A 110 9.388 1.215 -6.210 1.00 0.00 N ATOM 1695 CZ ARG A 110 8.413 1.687 -5.477 1.00 0.00 C ATOM 1696 NH1 ARG A 110 7.245 1.108 -5.475 1.00 0.00 N ATOM 1697 NH2 ARG A 110 8.602 2.765 -4.767 1.00 0.00 N ATOM 0 H ARG A 110 10.002 -5.031 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 110 8.213 -3.425 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.331 -2.449 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.646 -2.626 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.577 -1.301 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.672 -0.845 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.210 -0.386 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.601 0.100 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 110 10.269 1.727 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.085 0.280 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.491 1.483 -4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.507 3.236 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.845 3.137 -4.194 1.00 0.00 H new ATOM 1711 N ARG A 111 7.527 -4.593 -7.746 1.00 0.00 N ATOM 1712 CA ARG A 111 6.379 -4.883 -8.650 1.00 0.00 C ATOM 1713 C ARG A 111 5.601 -6.053 -8.047 1.00 0.00 C ATOM 1714 O ARG A 111 4.399 -6.155 -8.201 1.00 0.00 O ATOM 1715 CB ARG A 111 6.874 -5.234 -10.049 1.00 0.00 C ATOM 1716 CG ARG A 111 8.052 -6.202 -9.938 1.00 0.00 C ATOM 1717 CD ARG A 111 8.471 -6.649 -11.333 1.00 0.00 C ATOM 1718 NE ARG A 111 7.464 -7.605 -11.873 1.00 0.00 N ATOM 1719 CZ ARG A 111 7.451 -7.888 -13.147 1.00 0.00 C ATOM 1720 NH1 ARG A 111 8.323 -7.337 -13.946 1.00 0.00 N ATOM 1721 NH2 ARG A 111 6.566 -8.721 -13.621 1.00 0.00 N ATOM 0 H ARG A 111 8.419 -4.999 -8.029 1.00 0.00 H new ATOM 0 HA ARG A 111 5.737 -4.007 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.070 -5.686 -10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.179 -4.331 -10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.888 -5.719 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.772 -7.066 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.558 -5.785 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.453 -7.121 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 111 6.785 -8.038 -11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.014 -6.685 -13.575 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.313 -7.558 -14.942 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.884 -9.151 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.556 -8.942 -14.617 1.00 0.00 H new ATOM 1735 N GLU A 112 6.263 -6.918 -7.331 1.00 0.00 N ATOM 1736 CA GLU A 112 5.538 -8.051 -6.694 1.00 0.00 C ATOM 1737 C GLU A 112 4.872 -7.547 -5.408 1.00 0.00 C ATOM 1738 O GLU A 112 3.687 -7.715 -5.206 1.00 0.00 O ATOM 1739 CB GLU A 112 6.522 -9.174 -6.356 1.00 0.00 C ATOM 1740 CG GLU A 112 5.744 -10.456 -6.051 1.00 0.00 C ATOM 1741 CD GLU A 112 5.176 -11.028 -7.351 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.936 -11.629 -8.093 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.991 -10.855 -7.583 1.00 0.00 O ATOM 0 H GLU A 112 7.268 -6.890 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 112 4.783 -8.438 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.204 -9.339 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.132 -8.892 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.398 -11.186 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.936 -10.246 -5.350 1.00 0.00 H new ATOM 1750 N TYR A 113 5.628 -6.925 -4.538 1.00 0.00 N ATOM 1751 CA TYR A 113 5.036 -6.411 -3.266 1.00 0.00 C ATOM 1752 C TYR A 113 3.861 -5.489 -3.577 1.00 0.00 C ATOM 1753 O TYR A 113 2.989 -5.304 -2.760 1.00 0.00 O ATOM 1754 CB TYR A 113 6.077 -5.621 -2.473 1.00 0.00 C ATOM 1755 CG TYR A 113 5.454 -5.095 -1.203 1.00 0.00 C ATOM 1756 CD1 TYR A 113 4.721 -3.902 -1.227 1.00 0.00 C ATOM 1757 CD2 TYR A 113 5.616 -5.793 0.000 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.149 -3.408 -0.049 1.00 0.00 C ATOM 1759 CE2 TYR A 113 5.045 -5.298 1.178 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.311 -4.105 1.153 1.00 0.00 C ATOM 1761 OH TYR A 113 3.748 -3.615 2.315 1.00 0.00 O ATOM 0 H TYR A 113 6.626 -6.752 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 113 4.699 -7.264 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.928 -6.259 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.456 -4.794 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.597 -3.363 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 113 6.181 -6.713 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.583 -2.489 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 113 5.170 -5.836 2.106 1.00 0.00 H new ATOM 0 HH TYR A 113 2.792 -3.454 2.173 1.00 0.00 H new ATOM 1771 N GLN A 114 3.812 -4.925 -4.754 1.00 0.00 N ATOM 1772 CA GLN A 114 2.672 -4.035 -5.102 1.00 0.00 C ATOM 1773 C GLN A 114 1.487 -4.911 -5.517 1.00 0.00 C ATOM 1774 O GLN A 114 0.342 -4.590 -5.267 1.00 0.00 O ATOM 1775 CB GLN A 114 3.091 -3.109 -6.258 1.00 0.00 C ATOM 1776 CG GLN A 114 1.854 -2.512 -6.955 1.00 0.00 C ATOM 1777 CD GLN A 114 1.328 -3.491 -8.010 1.00 0.00 C ATOM 1778 OE1 GLN A 114 0.188 -3.905 -7.958 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.120 -3.881 -8.972 1.00 0.00 N ATOM 0 H GLN A 114 4.512 -5.043 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 114 2.386 -3.419 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.722 -2.306 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.687 -3.667 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 114 1.077 -2.303 -6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.112 -1.563 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.078 -3.534 -9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.781 -4.533 -9.679 1.00 0.00 H new ATOM 1788 N GLN A 115 1.760 -6.022 -6.142 1.00 0.00 N ATOM 1789 CA GLN A 115 0.666 -6.931 -6.569 1.00 0.00 C ATOM 1790 C GLN A 115 0.038 -7.575 -5.331 1.00 0.00 C ATOM 1791 O GLN A 115 -1.148 -7.843 -5.290 1.00 0.00 O ATOM 1792 CB GLN A 115 1.245 -8.016 -7.478 1.00 0.00 C ATOM 1793 CG GLN A 115 0.107 -8.800 -8.126 1.00 0.00 C ATOM 1794 CD GLN A 115 -0.547 -7.946 -9.213 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -1.633 -7.433 -9.026 1.00 0.00 O ATOM 1796 NE2 GLN A 115 0.071 -7.770 -10.348 1.00 0.00 N ATOM 0 H GLN A 115 2.701 -6.339 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.096 -6.371 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.873 -7.565 -8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.881 -8.688 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.488 -9.726 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.631 -9.078 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.982 -8.201 -10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -0.357 -7.202 -11.079 1.00 0.00 H new ATOM 1805 N LEU A 116 0.819 -7.804 -4.309 1.00 0.00 N ATOM 1806 CA LEU A 116 0.264 -8.409 -3.065 1.00 0.00 C ATOM 1807 C LEU A 116 -0.296 -7.285 -2.194 1.00 0.00 C ATOM 1808 O LEU A 116 -1.116 -7.500 -1.322 1.00 0.00 O ATOM 1809 CB LEU A 116 1.377 -9.140 -2.307 1.00 0.00 C ATOM 1810 CG LEU A 116 2.164 -10.033 -3.273 1.00 0.00 C ATOM 1811 CD1 LEU A 116 3.303 -10.720 -2.516 1.00 0.00 C ATOM 1812 CD2 LEU A 116 1.232 -11.094 -3.872 1.00 0.00 C ATOM 0 H LEU A 116 1.818 -7.598 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.522 -9.122 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.046 -8.418 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.949 -9.743 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 116 2.576 -9.422 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.864 -11.356 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.967 -9.965 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.890 -11.329 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.795 -11.727 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.816 -11.706 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.422 -10.604 -4.412 1.00 0.00 H new ATOM 1824 N TRP A 117 0.139 -6.081 -2.445 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.359 -4.919 -1.663 1.00 0.00 C ATOM 1826 C TRP A 117 -1.823 -4.664 -2.022 1.00 0.00 C ATOM 1827 O TRP A 117 -2.666 -4.492 -1.160 1.00 0.00 O ATOM 1828 CB TRP A 117 0.472 -3.681 -2.012 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.017 -2.516 -1.214 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -0.796 -1.517 -1.689 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.227 -2.214 0.189 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.046 -0.622 -0.664 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.436 -1.008 0.513 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.954 -2.866 1.202 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.381 -0.467 1.798 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 1.012 -2.324 2.496 1.00 0.00 C ATOM 1837 CH2 TRP A 117 0.346 -1.127 2.793 1.00 0.00 C ATOM 0 H TRP A 117 0.824 -5.853 -3.165 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.273 -5.128 -0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.525 -3.865 -1.801 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.394 -3.465 -3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.162 -1.432 -2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -1.612 0.220 -0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.470 -3.789 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -0.896 0.455 2.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.573 -2.832 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 117 0.394 -0.715 3.790 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.146 -4.660 -3.287 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.558 -4.436 -3.683 1.00 0.00 C ATOM 1850 C LEU A 118 -4.358 -5.703 -3.395 1.00 0.00 C ATOM 1851 O LEU A 118 -5.544 -5.649 -3.142 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.630 -4.092 -5.172 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.791 -2.838 -5.454 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.630 -2.674 -6.966 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.479 -1.587 -4.869 1.00 0.00 C ATOM 0 H LEU A 118 -1.493 -4.802 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.976 -3.605 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.263 -4.928 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.666 -3.922 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.813 -2.949 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.035 -1.785 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.128 -3.551 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.612 -2.569 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.871 -0.707 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.462 -1.466 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.591 -1.704 -3.791 1.00 0.00 H new ATOM 1867 N ALA A 119 -3.719 -6.843 -3.381 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.467 -8.086 -3.052 1.00 0.00 C ATOM 1869 C ALA A 119 -4.888 -7.984 -1.588 1.00 0.00 C ATOM 1870 O ALA A 119 -5.838 -8.606 -1.156 1.00 0.00 O ATOM 1871 CB ALA A 119 -3.584 -9.317 -3.271 1.00 0.00 C ATOM 0 H ALA A 119 -2.726 -6.965 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.339 -8.193 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.147 -10.217 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.270 -9.359 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.705 -9.253 -2.630 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.220 -7.148 -0.836 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.608 -6.933 0.589 1.00 0.00 C ATOM 1879 C ALA A 120 -5.445 -5.662 0.650 1.00 0.00 C ATOM 1880 O ALA A 120 -5.990 -5.330 1.675 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.369 -6.739 1.463 1.00 0.00 C ATOM 0 H ALA A 120 -3.418 -6.602 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.160 -7.800 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.674 -6.584 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.737 -7.625 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.811 -5.870 1.115 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.560 -4.959 -0.457 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.383 -3.707 -0.493 1.00 0.00 C ATOM 1889 C PHE A 121 -7.679 -3.978 -1.275 1.00 0.00 C ATOM 1890 O PHE A 121 -8.628 -3.224 -1.192 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.581 -2.562 -1.147 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.944 -1.236 -0.514 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -7.003 -0.479 -1.030 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.221 -0.767 0.590 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.338 0.746 -0.443 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.557 0.459 1.177 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.615 1.215 0.661 1.00 0.00 C ATOM 0 H PHE A 121 -5.115 -5.203 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.636 -3.405 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.513 -2.746 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.787 -2.530 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.561 -0.841 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.404 -1.351 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.154 1.330 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.999 0.821 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.874 2.160 1.114 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.741 -5.065 -2.002 1.00 0.00 N ATOM 1908 CA ALA A 122 -8.991 -5.412 -2.755 1.00 0.00 C ATOM 1909 C ALA A 122 -9.718 -6.517 -1.987 1.00 0.00 C ATOM 1910 O ALA A 122 -10.905 -6.720 -2.153 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.642 -5.877 -4.181 1.00 0.00 C ATOM 0 H ALA A 122 -6.977 -5.732 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.636 -4.537 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.558 -6.126 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.120 -5.078 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.001 -6.757 -4.130 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.032 -7.200 -1.119 1.00 0.00 N ATOM 1918 CA ALA A 123 -9.697 -8.254 -0.306 1.00 0.00 C ATOM 1919 C ALA A 123 -10.068 -7.612 1.027 1.00 0.00 C ATOM 1920 O ALA A 123 -10.522 -8.253 1.949 1.00 0.00 O ATOM 1921 CB ALA A 123 -8.716 -9.405 -0.063 1.00 0.00 C ATOM 0 H ALA A 123 -8.036 -7.075 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.578 -8.648 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -9.202 -10.178 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.405 -9.826 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.842 -9.032 0.471 1.00 0.00 H new ATOM 1927 N LEU A 124 -9.834 -6.334 1.131 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.114 -5.613 2.400 1.00 0.00 C ATOM 1929 C LEU A 124 -11.533 -5.958 2.915 1.00 0.00 C ATOM 1930 O LEU A 124 -11.668 -6.510 3.988 1.00 0.00 O ATOM 1931 CB LEU A 124 -9.988 -4.100 2.147 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.628 -3.534 2.633 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.385 -2.159 1.983 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.591 -3.376 4.165 1.00 0.00 C ATOM 0 H LEU A 124 -9.457 -5.754 0.382 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.396 -5.918 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.102 -3.901 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.799 -3.580 2.657 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.850 -4.240 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.430 -1.759 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.368 -2.267 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.186 -1.476 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.622 -2.977 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.379 -2.692 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -8.745 -4.347 4.635 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.568 -5.602 2.142 1.00 0.00 N ATOM 1947 CA PRO A 125 -13.965 -5.862 2.550 1.00 0.00 C ATOM 1948 C PRO A 125 -14.139 -7.336 2.856 1.00 0.00 C ATOM 1949 O PRO A 125 -14.572 -7.713 3.926 1.00 0.00 O ATOM 1950 CB PRO A 125 -14.822 -5.425 1.341 1.00 0.00 C ATOM 1951 CG PRO A 125 -13.841 -5.145 0.179 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.454 -4.949 0.811 1.00 0.00 C ATOM 0 HA PRO A 125 -14.255 -5.321 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.533 -6.205 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.403 -4.534 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.831 -5.975 -0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.142 -4.257 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.672 -5.409 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.204 -3.892 0.905 1.00 0.00 H new ATOM 1960 N GLY A 126 -13.828 -8.173 1.913 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.003 -9.629 2.132 1.00 0.00 C ATOM 1962 C GLY A 126 -12.732 -10.282 2.686 1.00 0.00 C ATOM 1963 O GLY A 126 -12.256 -11.265 2.154 1.00 0.00 O ATOM 0 H GLY A 126 -13.460 -7.911 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.828 -9.795 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -14.276 -10.107 1.191 1.00 0.00 H new ATOM 1967 N SER A 127 -12.262 -9.805 3.820 1.00 0.00 N ATOM 1968 CA SER A 127 -11.089 -10.472 4.504 1.00 0.00 C ATOM 1969 C SER A 127 -10.384 -9.544 5.512 1.00 0.00 C ATOM 1970 O SER A 127 -9.556 -9.993 6.277 1.00 0.00 O ATOM 1971 CB SER A 127 -10.077 -11.004 3.475 1.00 0.00 C ATOM 1972 OG SER A 127 -10.408 -12.348 3.149 1.00 0.00 O ATOM 0 H SER A 127 -12.634 -8.987 4.303 1.00 0.00 H new ATOM 0 HA SER A 127 -11.498 -11.311 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.092 -10.385 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.066 -10.953 3.880 1.00 0.00 H new ATOM 0 HG SER A 127 -11.006 -12.359 2.373 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.694 -8.281 5.541 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.024 -7.377 6.521 1.00 0.00 C ATOM 1980 C ALA A 128 -10.547 -5.966 6.293 1.00 0.00 C ATOM 1981 O ALA A 128 -10.034 -5.262 5.468 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.504 -7.404 6.295 1.00 0.00 C ATOM 0 H ALA A 128 -11.379 -7.834 4.932 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.234 -7.702 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.018 -6.743 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.134 -8.420 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.281 -7.068 5.282 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.558 -5.559 7.019 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.120 -4.195 6.831 1.00 0.00 C ATOM 1990 C LYS A 129 -13.365 -4.055 7.700 1.00 0.00 C ATOM 1991 O LYS A 129 -13.796 -4.972 8.370 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.555 -4.043 5.363 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.215 -2.674 5.076 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.227 -2.381 3.558 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.091 -1.411 3.186 1.00 0.00 C ATOM 1996 NZ LYS A 129 -12.534 -0.011 3.439 1.00 0.00 N ATOM 0 H LYS A 129 -12.018 -6.119 7.737 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.375 -3.445 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.686 -4.166 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.255 -4.839 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.235 -2.669 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -12.673 -1.886 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.115 -3.311 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.187 -1.952 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -11.200 -1.634 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -11.821 -1.535 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -12.209 0.601 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -13.572 0.020 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -12.131 0.324 4.337 1.00 0.00 H new ATOM 2010 N ASP A 130 -13.956 -2.923 7.629 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.211 -2.638 8.354 1.00 0.00 C ATOM 2012 C ASP A 130 -16.069 -1.755 7.437 1.00 0.00 C ATOM 2013 O ASP A 130 -16.163 -0.571 7.660 1.00 0.00 O ATOM 2014 CB ASP A 130 -14.895 -1.877 9.643 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.181 -1.683 10.449 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -16.893 -2.656 10.633 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -16.431 -0.564 10.868 1.00 0.00 O ATOM 0 H ASP A 130 -13.610 -2.141 7.073 1.00 0.00 H new ATOM 0 HA ASP A 130 -15.732 -3.560 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.163 -2.428 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.451 -0.910 9.407 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.666 -2.348 6.414 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.497 -1.596 5.450 1.00 0.00 C ATOM 2024 C PRO A 131 -18.763 -1.120 6.166 1.00 0.00 C ATOM 2025 O PRO A 131 -19.654 -0.545 5.574 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.779 -2.582 4.294 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.067 -3.919 4.667 1.00 0.00 C ATOM 2028 CD PRO A 131 -16.592 -3.797 6.136 1.00 0.00 C ATOM 0 HA PRO A 131 -17.018 -0.702 5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.851 -2.735 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.400 -2.191 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -17.749 -4.762 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.221 -4.101 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.231 -4.366 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.578 -4.177 6.261 1.00 0.00 H new ATOM 2036 N SER A 132 -18.789 -1.275 7.459 1.00 0.00 N ATOM 2037 CA SER A 132 -19.919 -0.751 8.262 1.00 0.00 C ATOM 2038 C SER A 132 -19.525 0.680 8.621 1.00 0.00 C ATOM 2039 O SER A 132 -20.121 1.322 9.461 1.00 0.00 O ATOM 2040 CB SER A 132 -20.076 -1.581 9.537 1.00 0.00 C ATOM 2041 OG SER A 132 -18.990 -1.307 10.413 1.00 0.00 O ATOM 0 H SER A 132 -18.064 -1.749 7.998 1.00 0.00 H new ATOM 0 HA SER A 132 -20.864 -0.793 7.720 1.00 0.00 H new ATOM 0 HB2 SER A 132 -21.021 -1.343 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 132 -20.102 -2.643 9.292 1.00 0.00 H new ATOM 0 HG SER A 132 -18.499 -2.135 10.594 1.00 0.00 H new ATOM 2047 N TRP A 133 -18.504 1.160 7.943 1.00 0.00 N ATOM 2048 CA TRP A 133 -17.980 2.546 8.158 1.00 0.00 C ATOM 2049 C TRP A 133 -16.723 2.721 7.296 1.00 0.00 C ATOM 2050 O TRP A 133 -16.562 3.702 6.599 1.00 0.00 O ATOM 2051 CB TRP A 133 -17.599 2.750 9.631 1.00 0.00 C ATOM 2052 CG TRP A 133 -16.995 4.106 9.806 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -17.688 5.268 9.807 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -15.597 4.462 10.008 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -16.804 6.315 9.996 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -15.504 5.869 10.126 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -14.412 3.710 10.100 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -14.280 6.507 10.328 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -13.178 4.349 10.303 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -13.112 5.745 10.417 1.00 0.00 C ATOM 0 H TRP A 133 -18.001 0.631 7.231 1.00 0.00 H new ATOM 0 HA TRP A 133 -18.747 3.271 7.886 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -18.481 2.649 10.263 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -16.892 1.982 9.945 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -18.756 5.363 9.681 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -17.079 7.296 10.035 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -14.451 2.634 10.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -14.235 7.583 10.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -12.274 3.762 10.372 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -12.160 6.231 10.573 1.00 0.00 H new ATOM 2071 N ALA A 134 -15.852 1.738 7.341 1.00 0.00 N ATOM 2072 CA ALA A 134 -14.588 1.761 6.532 1.00 0.00 C ATOM 2073 C ALA A 134 -14.054 3.194 6.410 1.00 0.00 C ATOM 2074 O ALA A 134 -14.337 3.827 5.406 1.00 0.00 O ATOM 2075 CB ALA A 134 -14.874 1.187 5.135 1.00 0.00 C ATOM 2076 OXT ALA A 134 -13.373 3.632 7.322 1.00 0.00 O ATOM 0 H ALA A 134 -15.967 0.904 7.916 1.00 0.00 H new ATOM 0 HA ALA A 134 -13.832 1.155 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.960 1.201 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -15.230 0.161 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -15.635 1.792 4.642 1.00 0.00 H new TER 2082 ALA A 134