USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1100 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 83 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot -163:sc= 0.815 USER MOD Set 1.3: A 119 TYR OH : rot 150:sc= 0.81 USER MOD Set 2.1: A 82 THR OG1 : rot 75:sc= 1.19 USER MOD Set 2.2: A 99 ASN : amide:sc= 0.184 K(o=1.6,f=-0.13!) USER MOD Set 2.3: A 102 LYS NZ :NH3+ 153:sc= 0.264 (180deg=0) USER MOD Set 3.1: A 84 ASN : amide:sc= 0.262 K(o=0.38,f=-2.1!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -133:sc= 0.115 (180deg=-0.0551) USER MOD Set 4.1: A 48 ASN : amide:sc= -0.272 K(o=0.77,f=-2.7!) USER MOD Set 4.2: A 50 HIS : no HD1:sc= 1.04 K(o=0.77,f=-8.9!) USER MOD Set 5.1: A 40 TYR OH : rot 97:sc= 0.00107 USER MOD Set 5.2: A 110 THR OG1 : rot 79:sc= 0.553 USER MOD Set 6.1: A 38 SER OG : rot -104:sc= 1.3 USER MOD Set 6.2: A 39 HIS : no HD1:sc= 1.18 K(o=2.5,f=-6.8!) USER MOD Set 7.1: A 13 LYS NZ :NH3+ 140:sc= 2.33 (180deg=-0.122) USER MOD Set 7.2: A 14 GLN : amide:sc= 0.509 K(o=2.8,f=-9.1!) USER MOD Single : A 8 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.11) USER MOD Single : A 21 ASN : amide:sc= 0.016 X(o=0.016,f=-0.15) USER MOD Single : A 24 ASN : amide:sc= 0.296 K(o=0.3,f=-8.5!) USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00995 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.465 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.906 K(o=0.91,f=-4!) USER MOD Single : A 36 ASN : amide:sc= -0.744 K(o=-0.74,f=-4.3!) USER MOD Single : A 42 TYR OH : rot 20:sc= 1.16 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0593 F(o=-1.2,f=-0.059) USER MOD Single : A 57 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0392) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.933 K(o=-0.93,f=-8.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0532 (180deg=-0.324) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0266 (180deg=-0.231) USER MOD Single : A 77 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 81 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 75:sc= 1.04 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 94 GLN : amide:sc= -2! C(o=-2!,f=-8.5!) USER MOD Single : A 111 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9.5!) USER MOD Single : A 113 HIS : no HD1:sc=-0.00414 X(o=-0.0041,f=-0.0041) USER MOD Single : A 115 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.95) USER MOD Single : A 116 LYS NZ :NH3+ -151:sc= 1.62 (180deg=1.33) USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 50:sc= 0.635 USER MOD Single : A 124 ASN : amide:sc= -0.576 K(o=-0.58,f=-1.3) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 140:sc= -0.919 USER MOD Single : A 131 SER OG : rot 39:sc= 0.0613 USER MOD Single : A 133 GLN : amide:sc= -0.0974 K(o=-0.097,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.977 15.296 -15.276 1.00 0.00 N ATOM 2 CA ASP A 7 -5.793 13.863 -15.101 1.00 0.00 C ATOM 3 C ASP A 7 -5.647 13.538 -13.625 1.00 0.00 C ATOM 4 O ASP A 7 -4.576 13.717 -13.045 1.00 0.00 O ATOM 5 CB ASP A 7 -4.563 13.354 -15.858 1.00 0.00 C ATOM 6 CG ASP A 7 -4.660 13.535 -17.358 1.00 0.00 C ATOM 7 OD1 ASP A 7 -5.453 12.811 -18.000 1.00 0.00 O ATOM 8 OD2 ASP A 7 -3.922 14.383 -17.906 1.00 0.00 O ATOM 0 HA ASP A 7 -6.673 13.364 -15.508 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.679 13.877 -15.493 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.421 12.296 -15.636 1.00 0.00 H new ATOM 13 N GLN A 8 -6.729 13.061 -13.022 1.00 0.00 N ATOM 14 CA GLN A 8 -6.757 12.760 -11.595 1.00 0.00 C ATOM 15 C GLN A 8 -5.738 11.676 -11.255 1.00 0.00 C ATOM 16 O GLN A 8 -5.156 11.665 -10.169 1.00 0.00 O ATOM 17 CB GLN A 8 -8.171 12.328 -11.191 1.00 0.00 C ATOM 18 CG GLN A 8 -8.342 12.073 -9.705 1.00 0.00 C ATOM 19 CD GLN A 8 -9.787 11.824 -9.321 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.263 10.689 -9.333 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.499 12.887 -8.979 1.00 0.00 N ATOM 0 H GLN A 8 -7.608 12.873 -13.505 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.488 13.655 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.877 13.099 -11.500 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.432 11.421 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.739 11.212 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.964 12.929 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.068 13.812 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.478 12.781 -8.713 1.00 0.00 H new ATOM 30 N VAL A 9 -5.504 10.788 -12.209 1.00 0.00 N ATOM 31 CA VAL A 9 -4.545 9.701 -12.040 1.00 0.00 C ATOM 32 C VAL A 9 -3.133 10.241 -11.797 1.00 0.00 C ATOM 33 O VAL A 9 -2.376 9.682 -11.004 1.00 0.00 O ATOM 34 CB VAL A 9 -4.542 8.774 -13.277 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.533 7.645 -13.126 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.934 8.214 -13.522 1.00 0.00 C ATOM 0 H VAL A 9 -5.969 10.798 -13.117 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.853 9.127 -11.166 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.245 9.370 -14.140 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.558 7.013 -14.014 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.534 8.064 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.783 7.048 -12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.916 7.563 -14.396 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.255 7.643 -12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.631 9.034 -13.695 1.00 0.00 H new ATOM 46 N VAL A 10 -2.800 11.350 -12.455 1.00 0.00 N ATOM 47 CA VAL A 10 -1.465 11.934 -12.351 1.00 0.00 C ATOM 48 C VAL A 10 -1.174 12.398 -10.925 1.00 0.00 C ATOM 49 O VAL A 10 -0.117 12.097 -10.371 1.00 0.00 O ATOM 50 CB VAL A 10 -1.292 13.121 -13.328 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.031 13.838 -13.100 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.387 12.640 -14.766 1.00 0.00 C ATOM 0 H VAL A 10 -3.437 11.862 -13.066 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.754 11.153 -12.620 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.097 13.831 -13.137 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.122 14.667 -13.802 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.066 14.221 -12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.854 13.140 -13.254 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.263 13.486 -15.442 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.604 11.906 -14.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.362 12.182 -14.933 1.00 0.00 H new ATOM 62 N ILE A 11 -2.127 13.105 -10.329 1.00 0.00 N ATOM 63 CA ILE A 11 -1.952 13.642 -8.982 1.00 0.00 C ATOM 64 C ILE A 11 -1.772 12.512 -7.970 1.00 0.00 C ATOM 65 O ILE A 11 -0.816 12.512 -7.196 1.00 0.00 O ATOM 66 CB ILE A 11 -3.145 14.538 -8.547 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.171 15.857 -9.337 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.087 14.833 -7.052 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.637 15.719 -10.770 1.00 0.00 C ATOM 0 H ILE A 11 -3.028 13.320 -10.755 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.055 14.261 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.060 13.987 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.824 16.562 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.170 16.288 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.932 15.462 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.130 13.897 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.157 15.351 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.624 16.696 -11.252 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.972 15.042 -11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.651 15.320 -10.786 1.00 0.00 H new ATOM 81 N PHE A 12 -2.680 11.543 -8.000 1.00 0.00 N ATOM 82 CA PHE A 12 -2.660 10.443 -7.039 1.00 0.00 C ATOM 83 C PHE A 12 -1.410 9.580 -7.191 1.00 0.00 C ATOM 84 O PHE A 12 -0.750 9.257 -6.201 1.00 0.00 O ATOM 85 CB PHE A 12 -3.916 9.578 -7.185 1.00 0.00 C ATOM 86 CG PHE A 12 -5.152 10.188 -6.587 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.735 11.313 -7.148 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.732 9.627 -5.463 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.874 11.864 -6.597 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.873 10.174 -4.907 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.443 11.294 -5.477 1.00 0.00 C ATOM 0 H PHE A 12 -3.440 11.496 -8.679 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.643 10.884 -6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.093 9.388 -8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.736 8.612 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.294 11.763 -8.025 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.288 8.751 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.320 12.741 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.317 9.727 -4.030 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.335 11.724 -5.046 1.00 0.00 H new ATOM 101 N LYS A 13 -1.071 9.224 -8.426 1.00 0.00 N ATOM 102 CA LYS A 13 0.070 8.355 -8.667 1.00 0.00 C ATOM 103 C LYS A 13 1.356 9.042 -8.213 1.00 0.00 C ATOM 104 O LYS A 13 2.249 8.395 -7.676 1.00 0.00 O ATOM 105 CB LYS A 13 0.150 7.947 -10.150 1.00 0.00 C ATOM 106 CG LYS A 13 1.028 6.724 -10.421 1.00 0.00 C ATOM 107 CD LYS A 13 2.517 7.054 -10.411 1.00 0.00 C ATOM 108 CE LYS A 13 2.939 7.788 -11.671 1.00 0.00 C ATOM 109 NZ LYS A 13 4.345 8.267 -11.595 1.00 0.00 N ATOM 0 H LYS A 13 -1.566 9.522 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.058 7.443 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.857 7.744 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.533 8.789 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.824 5.962 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.761 6.297 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.748 7.666 -9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.093 6.133 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.828 7.126 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.276 8.637 -11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.809 8.129 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.355 9.278 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.856 7.729 -10.866 1.00 0.00 H new ATOM 123 N GLN A 14 1.428 10.355 -8.400 1.00 0.00 N ATOM 124 CA GLN A 14 2.607 11.115 -7.997 1.00 0.00 C ATOM 125 C GLN A 14 2.771 11.123 -6.480 1.00 0.00 C ATOM 126 O GLN A 14 3.890 11.200 -5.973 1.00 0.00 O ATOM 127 CB GLN A 14 2.536 12.544 -8.531 1.00 0.00 C ATOM 128 CG GLN A 14 3.586 12.841 -9.588 1.00 0.00 C ATOM 129 CD GLN A 14 3.482 11.925 -10.793 1.00 0.00 C ATOM 130 OE1 GLN A 14 4.098 10.861 -10.838 1.00 0.00 O ATOM 131 NE2 GLN A 14 2.705 12.334 -11.778 1.00 0.00 N ATOM 0 H GLN A 14 0.688 10.914 -8.826 1.00 0.00 H new ATOM 0 HA GLN A 14 3.480 10.624 -8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.546 12.719 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.657 13.241 -7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.484 13.876 -9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.578 12.742 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.211 13.223 -11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.599 11.761 -12.615 1.00 0.00 H new ATOM 140 N ILE A 15 1.659 11.036 -5.760 1.00 0.00 N ATOM 141 CA ILE A 15 1.699 10.948 -4.303 1.00 0.00 C ATOM 142 C ILE A 15 2.439 9.680 -3.884 1.00 0.00 C ATOM 143 O ILE A 15 3.357 9.720 -3.060 1.00 0.00 O ATOM 144 CB ILE A 15 0.280 10.943 -3.689 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.502 12.183 -4.134 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.357 10.885 -2.170 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.959 12.171 -3.721 1.00 0.00 C ATOM 0 H ILE A 15 0.720 11.024 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 15 2.223 11.829 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.244 10.056 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.024 13.070 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.443 12.268 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.651 10.882 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.877 9.976 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.900 11.755 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.444 13.081 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.454 11.304 -4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.029 12.119 -2.634 1.00 0.00 H new ATOM 159 N PHE A 16 2.052 8.561 -4.483 1.00 0.00 N ATOM 160 CA PHE A 16 2.704 7.284 -4.214 1.00 0.00 C ATOM 161 C PHE A 16 4.111 7.265 -4.809 1.00 0.00 C ATOM 162 O PHE A 16 5.030 6.669 -4.248 1.00 0.00 O ATOM 163 CB PHE A 16 1.881 6.125 -4.786 1.00 0.00 C ATOM 164 CG PHE A 16 0.548 5.931 -4.113 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.575 6.610 -4.557 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.421 5.066 -3.040 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.801 6.431 -3.943 1.00 0.00 C ATOM 168 CE2 PHE A 16 -0.801 4.882 -2.422 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.913 5.565 -2.874 1.00 0.00 C ATOM 0 H PHE A 16 1.290 8.511 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 16 2.776 7.162 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.718 6.299 -5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.458 5.205 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.492 7.288 -5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.287 4.529 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.668 6.967 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.887 4.204 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.869 5.422 -2.392 1.00 0.00 H new ATOM 179 N ASP A 17 4.267 7.941 -5.938 1.00 0.00 N ATOM 180 CA ASP A 17 5.541 7.999 -6.649 1.00 0.00 C ATOM 181 C ASP A 17 6.591 8.720 -5.812 1.00 0.00 C ATOM 182 O ASP A 17 7.774 8.374 -5.832 1.00 0.00 O ATOM 183 CB ASP A 17 5.356 8.722 -7.987 1.00 0.00 C ATOM 184 CG ASP A 17 6.453 8.405 -8.981 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.517 9.048 -8.937 1.00 0.00 O ATOM 186 OD2 ASP A 17 6.245 7.499 -9.818 1.00 0.00 O ATOM 0 H ASP A 17 3.517 8.465 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 17 5.883 6.981 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.393 8.444 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.329 9.798 -7.813 1.00 0.00 H new ATOM 191 N LYS A 18 6.146 9.717 -5.066 1.00 0.00 N ATOM 192 CA LYS A 18 7.030 10.490 -4.210 1.00 0.00 C ATOM 193 C LYS A 18 7.399 9.693 -2.960 1.00 0.00 C ATOM 194 O LYS A 18 8.577 9.553 -2.626 1.00 0.00 O ATOM 195 CB LYS A 18 6.350 11.802 -3.813 1.00 0.00 C ATOM 196 CG LYS A 18 7.274 12.831 -3.174 1.00 0.00 C ATOM 197 CD LYS A 18 7.584 13.972 -4.136 1.00 0.00 C ATOM 198 CE LYS A 18 8.603 13.577 -5.195 1.00 0.00 C ATOM 199 NZ LYS A 18 9.981 13.511 -4.636 1.00 0.00 N ATOM 0 H LYS A 18 5.170 10.012 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 18 7.944 10.711 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.896 12.243 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.540 11.580 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.809 13.229 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.202 12.349 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.663 14.293 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.961 14.826 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.334 12.608 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.576 14.297 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.672 13.527 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.142 14.328 -4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.093 12.632 -4.091 1.00 0.00 H new ATOM 213 N VAL A 19 6.391 9.145 -2.287 1.00 0.00 N ATOM 214 CA VAL A 19 6.605 8.454 -1.018 1.00 0.00 C ATOM 215 C VAL A 19 7.425 7.173 -1.197 1.00 0.00 C ATOM 216 O VAL A 19 8.143 6.760 -0.287 1.00 0.00 O ATOM 217 CB VAL A 19 5.267 8.128 -0.311 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.480 7.077 -1.077 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.505 7.685 1.126 1.00 0.00 C ATOM 0 H VAL A 19 5.420 9.166 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 19 7.172 9.139 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 19 4.672 9.041 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.546 6.870 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.262 7.445 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.067 6.161 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.550 7.462 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.131 6.793 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.005 8.483 1.675 1.00 0.00 H new ATOM 229 N ARG A 20 7.345 6.562 -2.379 1.00 0.00 N ATOM 230 CA ARG A 20 8.075 5.324 -2.639 1.00 0.00 C ATOM 231 C ARG A 20 9.574 5.585 -2.779 1.00 0.00 C ATOM 232 O ARG A 20 10.366 4.647 -2.868 1.00 0.00 O ATOM 233 CB ARG A 20 7.547 4.612 -3.892 1.00 0.00 C ATOM 234 CG ARG A 20 7.760 5.381 -5.184 1.00 0.00 C ATOM 235 CD ARG A 20 7.372 4.553 -6.401 1.00 0.00 C ATOM 236 NE ARG A 20 7.462 5.328 -7.639 1.00 0.00 N ATOM 237 CZ ARG A 20 8.479 5.264 -8.498 1.00 0.00 C ATOM 238 NH1 ARG A 20 9.509 4.458 -8.262 1.00 0.00 N ATOM 239 NH2 ARG A 20 8.463 6.012 -9.593 1.00 0.00 N ATOM 0 H ARG A 20 6.788 6.901 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 20 7.914 4.672 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.035 3.641 -3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.481 4.424 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.170 6.297 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.806 5.677 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.023 3.682 -6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.355 4.182 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 20 6.693 5.961 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.524 3.884 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.284 4.414 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.675 6.633 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.239 5.966 -10.253 1.00 0.00 H new ATOM 253 N ASN A 21 9.953 6.858 -2.803 1.00 0.00 N ATOM 254 CA ASN A 21 11.359 7.242 -2.880 1.00 0.00 C ATOM 255 C ASN A 21 11.773 8.038 -1.648 1.00 0.00 C ATOM 256 O ASN A 21 12.729 7.684 -0.958 1.00 0.00 O ATOM 257 CB ASN A 21 11.638 8.078 -4.137 1.00 0.00 C ATOM 258 CG ASN A 21 11.557 7.275 -5.420 1.00 0.00 C ATOM 259 OD1 ASN A 21 12.528 6.641 -5.830 1.00 0.00 O ATOM 260 ND2 ASN A 21 10.410 7.320 -6.083 1.00 0.00 N ATOM 0 H ASN A 21 9.304 7.644 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 21 11.942 6.323 -2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.923 8.900 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.630 8.523 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.311 6.818 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.627 7.857 -5.711 1.00 0.00 H new ATOM 267 N ASP A 22 11.032 9.105 -1.371 1.00 0.00 N ATOM 268 CA ASP A 22 11.380 10.043 -0.305 1.00 0.00 C ATOM 269 C ASP A 22 11.035 9.499 1.075 1.00 0.00 C ATOM 270 O ASP A 22 11.591 9.954 2.075 1.00 0.00 O ATOM 271 CB ASP A 22 10.647 11.370 -0.507 1.00 0.00 C ATOM 272 CG ASP A 22 11.134 12.139 -1.715 1.00 0.00 C ATOM 273 OD1 ASP A 22 10.787 11.755 -2.852 1.00 0.00 O ATOM 274 OD2 ASP A 22 11.858 13.137 -1.534 1.00 0.00 O ATOM 0 H ASP A 22 10.178 9.345 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 22 12.458 10.193 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.580 11.176 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.772 11.986 0.383 1.00 0.00 H new ATOM 279 N LEU A 23 10.104 8.544 1.122 1.00 0.00 N ATOM 280 CA LEU A 23 9.602 7.993 2.385 1.00 0.00 C ATOM 281 C LEU A 23 8.875 9.067 3.191 1.00 0.00 C ATOM 282 O LEU A 23 8.739 8.966 4.411 1.00 0.00 O ATOM 283 CB LEU A 23 10.740 7.387 3.217 1.00 0.00 C ATOM 284 CG LEU A 23 11.357 6.111 2.642 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.505 5.629 3.515 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.301 5.025 2.514 1.00 0.00 C ATOM 0 H LEU A 23 9.678 8.132 0.292 1.00 0.00 H new ATOM 0 HA LEU A 23 8.896 7.199 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.526 8.134 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.363 7.171 4.217 1.00 0.00 H new ATOM 0 HG LEU A 23 11.750 6.337 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.930 4.720 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.273 6.401 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.136 5.420 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.755 4.123 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.883 4.806 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.507 5.366 1.850 1.00 0.00 H new ATOM 298 N ASN A 24 8.391 10.083 2.491 1.00 0.00 N ATOM 299 CA ASN A 24 7.677 11.181 3.126 1.00 0.00 C ATOM 300 C ASN A 24 6.224 10.792 3.373 1.00 0.00 C ATOM 301 O ASN A 24 5.370 10.959 2.504 1.00 0.00 O ATOM 302 CB ASN A 24 7.739 12.438 2.246 1.00 0.00 C ATOM 303 CG ASN A 24 7.236 13.689 2.952 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.410 13.626 3.864 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.712 14.844 2.514 1.00 0.00 N ATOM 0 H ASN A 24 8.481 10.170 1.479 1.00 0.00 H new ATOM 0 HA ASN A 24 8.154 11.397 4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.768 12.599 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.146 12.273 1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.396 15.718 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.395 14.860 1.757 1.00 0.00 H new ATOM 312 N TYR A 25 5.956 10.253 4.553 1.00 0.00 N ATOM 313 CA TYR A 25 4.607 9.849 4.918 1.00 0.00 C ATOM 314 C TYR A 25 3.787 11.046 5.377 1.00 0.00 C ATOM 315 O TYR A 25 2.558 11.015 5.335 1.00 0.00 O ATOM 316 CB TYR A 25 4.635 8.781 6.014 1.00 0.00 C ATOM 317 CG TYR A 25 5.117 7.428 5.541 1.00 0.00 C ATOM 318 CD1 TYR A 25 4.344 6.661 4.680 1.00 0.00 C ATOM 319 CD2 TYR A 25 6.339 6.914 5.960 1.00 0.00 C ATOM 320 CE1 TYR A 25 4.773 5.421 4.248 1.00 0.00 C ATOM 321 CE2 TYR A 25 6.775 5.674 5.533 1.00 0.00 C ATOM 322 CZ TYR A 25 5.987 4.931 4.677 1.00 0.00 C ATOM 323 OH TYR A 25 6.413 3.694 4.249 1.00 0.00 O ATOM 0 H TYR A 25 6.657 10.085 5.275 1.00 0.00 H new ATOM 0 HA TYR A 25 4.136 9.425 4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.280 9.123 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.633 8.674 6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.391 7.040 4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.957 7.493 6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.159 4.838 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.727 5.288 5.867 1.00 0.00 H new ATOM 0 HH TYR A 25 7.289 3.496 4.641 1.00 0.00 H new ATOM 333 N GLN A 26 4.471 12.104 5.802 1.00 0.00 N ATOM 334 CA GLN A 26 3.800 13.319 6.249 1.00 0.00 C ATOM 335 C GLN A 26 2.953 13.899 5.122 1.00 0.00 C ATOM 336 O GLN A 26 1.759 14.147 5.288 1.00 0.00 O ATOM 337 CB GLN A 26 4.823 14.353 6.727 1.00 0.00 C ATOM 338 CG GLN A 26 4.196 15.659 7.195 1.00 0.00 C ATOM 339 CD GLN A 26 5.217 16.669 7.689 1.00 0.00 C ATOM 340 OE1 GLN A 26 6.413 16.641 7.116 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 4.924 17.482 8.569 1.00 0.00 N flip ATOM 0 H GLN A 26 5.489 12.144 5.846 1.00 0.00 H new ATOM 0 HA GLN A 26 3.148 13.065 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.405 13.926 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.520 14.564 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.629 16.097 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.487 15.448 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.993 17.470 8.984 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.613 18.166 8.881 1.00 0.00 H new ATOM 350 N TRP A 27 3.579 14.092 3.968 1.00 0.00 N ATOM 351 CA TRP A 27 2.885 14.615 2.802 1.00 0.00 C ATOM 352 C TRP A 27 1.976 13.543 2.201 1.00 0.00 C ATOM 353 O TRP A 27 0.897 13.841 1.687 1.00 0.00 O ATOM 354 CB TRP A 27 3.908 15.105 1.770 1.00 0.00 C ATOM 355 CG TRP A 27 3.297 15.672 0.522 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.676 16.880 0.386 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.263 15.054 -0.768 1.00 0.00 C ATOM 358 NE1 TRP A 27 2.252 17.045 -0.910 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.599 15.939 -1.638 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.728 13.837 -1.269 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.388 15.643 -2.981 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.519 13.544 -2.601 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.854 14.444 -3.445 1.00 0.00 C ATOM 0 H TRP A 27 4.568 13.893 3.816 1.00 0.00 H new ATOM 0 HA TRP A 27 2.261 15.457 3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.537 15.866 2.231 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.559 14.275 1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.538 17.599 1.180 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.758 17.861 -1.272 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.242 13.138 -0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.875 16.335 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.874 12.605 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.707 14.185 -4.483 1.00 0.00 H new ATOM 374 N PHE A 28 2.418 12.292 2.299 1.00 0.00 N ATOM 375 CA PHE A 28 1.668 11.154 1.777 1.00 0.00 C ATOM 376 C PHE A 28 0.286 11.061 2.422 1.00 0.00 C ATOM 377 O PHE A 28 -0.735 11.092 1.732 1.00 0.00 O ATOM 378 CB PHE A 28 2.461 9.864 2.017 1.00 0.00 C ATOM 379 CG PHE A 28 1.800 8.614 1.505 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.419 8.506 0.178 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.568 7.545 2.355 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.819 7.356 -0.293 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.970 6.390 1.888 1.00 0.00 C ATOM 384 CZ PHE A 28 0.595 6.295 0.563 1.00 0.00 C ATOM 0 H PHE A 28 3.302 12.040 2.740 1.00 0.00 H new ATOM 0 HA PHE A 28 1.523 11.294 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.438 9.961 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.634 9.754 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.593 9.331 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.857 7.615 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.525 7.285 -1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.796 5.562 2.559 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.127 5.393 0.196 1.00 0.00 H new ATOM 394 N TYR A 29 0.255 10.968 3.749 1.00 0.00 N ATOM 395 CA TYR A 29 -1.005 10.835 4.474 1.00 0.00 C ATOM 396 C TYR A 29 -1.821 12.120 4.407 1.00 0.00 C ATOM 397 O TYR A 29 -3.049 12.082 4.490 1.00 0.00 O ATOM 398 CB TYR A 29 -0.761 10.445 5.934 1.00 0.00 C ATOM 399 CG TYR A 29 -0.310 9.013 6.110 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.113 7.960 5.688 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.909 8.712 6.704 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.713 6.649 5.849 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.317 7.403 6.867 1.00 0.00 C ATOM 404 CZ TYR A 29 0.502 6.376 6.440 1.00 0.00 C ATOM 405 OH TYR A 29 0.904 5.070 6.604 1.00 0.00 O ATOM 0 H TYR A 29 1.085 10.982 4.342 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.574 10.041 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.008 11.109 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.679 10.601 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.066 8.171 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.547 9.514 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.348 5.842 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.270 7.185 7.327 1.00 0.00 H new ATOM 0 HH TYR A 29 1.784 5.050 7.035 1.00 0.00 H new ATOM 415 N SER A 30 -1.138 13.248 4.246 1.00 0.00 N ATOM 416 CA SER A 30 -1.806 14.536 4.127 1.00 0.00 C ATOM 417 C SER A 30 -2.764 14.521 2.942 1.00 0.00 C ATOM 418 O SER A 30 -3.954 14.802 3.089 1.00 0.00 O ATOM 419 CB SER A 30 -0.776 15.664 3.970 1.00 0.00 C ATOM 420 OG SER A 30 -1.396 16.941 3.992 1.00 0.00 O ATOM 0 H SER A 30 -0.120 13.295 4.195 1.00 0.00 H new ATOM 0 HA SER A 30 -2.377 14.718 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.041 15.601 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.236 15.537 3.032 1.00 0.00 H new ATOM 0 HG SER A 30 -0.714 17.638 3.892 1.00 0.00 H new ATOM 426 N GLU A 31 -2.252 14.159 1.772 1.00 0.00 N ATOM 427 CA GLU A 31 -3.075 14.108 0.573 1.00 0.00 C ATOM 428 C GLU A 31 -4.059 12.948 0.623 1.00 0.00 C ATOM 429 O GLU A 31 -5.175 13.058 0.112 1.00 0.00 O ATOM 430 CB GLU A 31 -2.207 14.014 -0.680 1.00 0.00 C ATOM 431 CG GLU A 31 -1.567 15.335 -1.065 1.00 0.00 C ATOM 432 CD GLU A 31 -2.594 16.434 -1.250 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.328 16.409 -2.263 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.674 17.329 -0.383 1.00 0.00 O ATOM 0 H GLU A 31 -1.276 13.898 1.629 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.648 15.035 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.425 13.273 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.816 13.657 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.855 15.631 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.002 15.208 -1.989 1.00 0.00 H new ATOM 441 N LEU A 32 -3.657 11.846 1.246 1.00 0.00 N ATOM 442 CA LEU A 32 -4.544 10.699 1.391 1.00 0.00 C ATOM 443 C LEU A 32 -5.822 11.100 2.110 1.00 0.00 C ATOM 444 O LEU A 32 -6.911 10.866 1.616 1.00 0.00 O ATOM 445 CB LEU A 32 -3.864 9.555 2.145 1.00 0.00 C ATOM 446 CG LEU A 32 -2.756 8.829 1.381 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.223 7.678 2.215 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.268 8.329 0.037 1.00 0.00 C ATOM 0 H LEU A 32 -2.731 11.723 1.655 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.790 10.348 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.444 9.952 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.624 8.827 2.427 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.943 9.530 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.434 7.165 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.821 8.063 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.031 6.978 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.464 7.816 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.096 7.638 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.611 9.175 -0.559 1.00 0.00 H new ATOM 460 N LYS A 33 -5.675 11.749 3.252 1.00 0.00 N ATOM 461 CA LYS A 33 -6.818 12.142 4.069 1.00 0.00 C ATOM 462 C LYS A 33 -7.621 13.269 3.398 1.00 0.00 C ATOM 463 O LYS A 33 -8.742 13.577 3.807 1.00 0.00 O ATOM 464 CB LYS A 33 -6.315 12.573 5.449 1.00 0.00 C ATOM 465 CG LYS A 33 -7.401 12.997 6.423 1.00 0.00 C ATOM 466 CD LYS A 33 -6.798 13.603 7.681 1.00 0.00 C ATOM 467 CE LYS A 33 -7.870 14.009 8.679 1.00 0.00 C ATOM 468 NZ LYS A 33 -7.289 14.698 9.864 1.00 0.00 N ATOM 0 H LYS A 33 -4.771 12.018 3.639 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.491 11.292 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.755 11.748 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.617 13.401 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.060 13.722 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.014 12.135 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.123 12.883 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.200 14.475 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.589 14.667 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.417 13.124 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.051 14.959 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.621 14.061 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.788 15.556 9.556 1.00 0.00 H new ATOM 482 N ARG A 34 -7.051 13.884 2.364 1.00 0.00 N ATOM 483 CA ARG A 34 -7.740 14.951 1.640 1.00 0.00 C ATOM 484 C ARG A 34 -8.588 14.395 0.500 1.00 0.00 C ATOM 485 O ARG A 34 -9.545 15.037 0.059 1.00 0.00 O ATOM 486 CB ARG A 34 -6.744 15.969 1.076 1.00 0.00 C ATOM 487 CG ARG A 34 -6.008 16.768 2.135 1.00 0.00 C ATOM 488 CD ARG A 34 -5.146 17.852 1.509 1.00 0.00 C ATOM 489 NE ARG A 34 -5.953 18.876 0.847 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.550 19.581 -0.210 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.367 19.343 -0.768 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.342 20.509 -0.730 1.00 0.00 N ATOM 0 H ARG A 34 -6.120 13.664 2.010 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.394 15.448 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.014 15.444 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.277 16.658 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.727 17.221 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.383 16.101 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.531 18.317 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.466 17.402 0.786 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.885 19.063 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.761 18.617 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.066 19.887 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.260 20.684 -0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.033 21.048 -1.539 1.00 0.00 H new ATOM 506 N HIS A 35 -8.245 13.206 0.019 1.00 0.00 N ATOM 507 CA HIS A 35 -8.919 12.639 -1.147 1.00 0.00 C ATOM 508 C HIS A 35 -9.489 11.264 -0.821 1.00 0.00 C ATOM 509 O HIS A 35 -10.674 11.001 -1.030 1.00 0.00 O ATOM 510 CB HIS A 35 -7.955 12.526 -2.336 1.00 0.00 C ATOM 511 CG HIS A 35 -7.204 13.788 -2.659 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.804 14.937 -3.131 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.884 14.072 -2.566 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.884 15.869 -3.312 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.709 15.368 -2.973 1.00 0.00 N ATOM 0 H HIS A 35 -7.510 12.618 0.413 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.735 13.310 -1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.235 11.734 -2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.520 12.220 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.109 13.399 -2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.062 16.870 -3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.819 15.865 -3.009 1.00 0.00 H new ATOM 524 N ASN A 36 -8.632 10.395 -0.306 1.00 0.00 N ATOM 525 CA ASN A 36 -9.031 9.055 0.093 1.00 0.00 C ATOM 526 C ASN A 36 -9.651 9.091 1.481 1.00 0.00 C ATOM 527 O ASN A 36 -8.954 8.999 2.488 1.00 0.00 O ATOM 528 CB ASN A 36 -7.830 8.105 0.102 1.00 0.00 C ATOM 529 CG ASN A 36 -8.189 6.732 0.636 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.281 6.224 0.390 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.279 6.137 1.392 1.00 0.00 N ATOM 0 H ASN A 36 -7.644 10.598 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.761 8.691 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.438 8.008 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.035 8.533 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.472 5.220 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.385 6.595 1.570 1.00 0.00 H new ATOM 538 N VAL A 37 -10.954 9.276 1.528 1.00 0.00 N ATOM 539 CA VAL A 37 -11.675 9.290 2.793 1.00 0.00 C ATOM 540 C VAL A 37 -12.024 7.861 3.230 1.00 0.00 C ATOM 541 O VAL A 37 -12.476 7.630 4.353 1.00 0.00 O ATOM 542 CB VAL A 37 -12.965 10.138 2.685 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.603 10.353 4.050 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.673 11.476 2.018 1.00 0.00 C ATOM 0 H VAL A 37 -11.540 9.419 0.706 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.026 9.741 3.543 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.674 9.587 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.507 10.952 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.859 9.388 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.901 10.873 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.592 12.058 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.939 12.024 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.279 11.305 1.016 1.00 0.00 H new ATOM 554 N SER A 38 -11.790 6.894 2.352 1.00 0.00 N ATOM 555 CA SER A 38 -12.146 5.519 2.652 1.00 0.00 C ATOM 556 C SER A 38 -10.915 4.609 2.663 1.00 0.00 C ATOM 557 O SER A 38 -10.210 4.519 3.671 1.00 0.00 O ATOM 558 CB SER A 38 -13.197 5.007 1.662 1.00 0.00 C ATOM 559 OG SER A 38 -13.710 3.748 2.068 1.00 0.00 O ATOM 0 H SER A 38 -11.360 7.036 1.438 1.00 0.00 H new ATOM 0 HA SER A 38 -12.576 5.497 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.011 5.728 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.755 4.920 0.670 1.00 0.00 H new ATOM 0 HG SER A 38 -13.320 3.041 1.513 1.00 0.00 H new ATOM 565 N HIS A 39 -10.628 3.958 1.536 1.00 0.00 N ATOM 566 CA HIS A 39 -9.581 2.945 1.494 1.00 0.00 C ATOM 567 C HIS A 39 -9.080 2.731 0.071 1.00 0.00 C ATOM 568 O HIS A 39 -9.850 2.816 -0.883 1.00 0.00 O ATOM 569 CB HIS A 39 -10.097 1.616 2.072 1.00 0.00 C ATOM 570 CG HIS A 39 -11.194 0.960 1.273 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.500 1.406 1.268 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.167 -0.124 0.462 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.228 0.622 0.492 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.442 -0.314 -0.010 1.00 0.00 N ATOM 0 H HIS A 39 -11.104 4.114 0.647 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.749 3.300 2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.260 0.922 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.461 1.794 3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.302 -0.728 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.286 0.728 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.735 -1.057 -0.645 1.00 0.00 H new ATOM 583 N TYR A 40 -7.796 2.437 -0.065 1.00 0.00 N ATOM 584 CA TYR A 40 -7.227 2.154 -1.373 1.00 0.00 C ATOM 585 C TYR A 40 -6.635 0.751 -1.405 1.00 0.00 C ATOM 586 O TYR A 40 -6.069 0.280 -0.416 1.00 0.00 O ATOM 587 CB TYR A 40 -6.173 3.202 -1.767 1.00 0.00 C ATOM 588 CG TYR A 40 -4.957 3.264 -0.866 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.833 2.491 -1.130 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.924 4.113 0.232 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.716 2.555 -0.323 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.809 4.182 1.047 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.707 3.403 0.762 1.00 0.00 C ATOM 594 OH TYR A 40 -1.595 3.473 1.569 1.00 0.00 O ATOM 0 H TYR A 40 -7.133 2.388 0.708 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.032 2.207 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.841 2.995 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.647 4.184 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.834 1.828 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.783 4.729 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.853 1.943 -0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.801 4.842 1.902 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.040 4.233 1.295 1.00 0.00 H new ATOM 604 N ILE A 41 -6.803 0.081 -2.535 1.00 0.00 N ATOM 605 CA ILE A 41 -6.280 -1.262 -2.726 1.00 0.00 C ATOM 606 C ILE A 41 -5.073 -1.220 -3.656 1.00 0.00 C ATOM 607 O ILE A 41 -5.209 -0.996 -4.859 1.00 0.00 O ATOM 608 CB ILE A 41 -7.350 -2.204 -3.314 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.647 -2.086 -2.507 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.846 -3.645 -3.313 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.833 -2.780 -3.141 1.00 0.00 C ATOM 0 H ILE A 41 -7.304 0.452 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.983 -1.648 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.551 -1.913 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.484 -2.503 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.885 -1.031 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.612 -4.299 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.941 -3.714 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.625 -3.952 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.711 -2.650 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.025 -2.348 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.618 -3.843 -3.249 1.00 0.00 H new ATOM 623 N TYR A 42 -3.901 -1.407 -3.084 1.00 0.00 N ATOM 624 CA TYR A 42 -2.648 -1.331 -3.818 1.00 0.00 C ATOM 625 C TYR A 42 -2.239 -2.724 -4.297 1.00 0.00 C ATOM 626 O TYR A 42 -1.861 -3.575 -3.494 1.00 0.00 O ATOM 627 CB TYR A 42 -1.579 -0.748 -2.885 1.00 0.00 C ATOM 628 CG TYR A 42 -0.337 -0.192 -3.552 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.507 -0.994 -4.309 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.008 1.142 -3.384 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.658 -0.479 -4.878 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.153 1.665 -3.955 1.00 0.00 C ATOM 633 CZ TYR A 42 1.975 0.849 -4.697 1.00 0.00 C ATOM 634 OH TYR A 42 3.127 1.367 -5.251 1.00 0.00 O ATOM 0 H TYR A 42 -3.787 -1.617 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.761 -0.692 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.036 0.047 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.273 -1.527 -2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.261 -2.035 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.631 1.784 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.306 -1.116 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.401 2.707 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 42 3.429 0.786 -5.980 1.00 0.00 H new ATOM 644 N TYR A 43 -2.350 -2.969 -5.594 1.00 0.00 N ATOM 645 CA TYR A 43 -1.916 -4.237 -6.168 1.00 0.00 C ATOM 646 C TYR A 43 -0.449 -4.156 -6.558 1.00 0.00 C ATOM 647 O TYR A 43 -0.098 -3.556 -7.574 1.00 0.00 O ATOM 648 CB TYR A 43 -2.777 -4.614 -7.378 1.00 0.00 C ATOM 649 CG TYR A 43 -4.208 -4.945 -7.020 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.553 -6.216 -6.586 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.209 -3.988 -7.109 1.00 0.00 C ATOM 652 CE1 TYR A 43 -5.855 -6.528 -6.251 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.514 -4.291 -6.778 1.00 0.00 C ATOM 654 CZ TYR A 43 -6.833 -5.563 -6.349 1.00 0.00 C ATOM 655 OH TYR A 43 -8.131 -5.868 -6.006 1.00 0.00 O ATOM 0 H TYR A 43 -2.736 -2.309 -6.269 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.037 -5.017 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.770 -3.789 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.329 -5.471 -7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.789 -6.975 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.963 -2.991 -7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.106 -7.523 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.282 -3.536 -6.854 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.697 -5.078 -6.131 1.00 0.00 H new ATOM 665 N LEU A 44 0.397 -4.777 -5.744 1.00 0.00 N ATOM 666 CA LEU A 44 1.850 -4.654 -5.868 1.00 0.00 C ATOM 667 C LEU A 44 2.376 -5.236 -7.181 1.00 0.00 C ATOM 668 O LEU A 44 3.408 -4.805 -7.684 1.00 0.00 O ATOM 669 CB LEU A 44 2.554 -5.352 -4.693 1.00 0.00 C ATOM 670 CG LEU A 44 2.321 -4.747 -3.299 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.938 -5.095 -2.767 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.394 -5.227 -2.333 1.00 0.00 C ATOM 0 H LEU A 44 0.098 -5.381 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 44 2.072 -3.587 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.232 -6.393 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.626 -5.354 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 44 2.381 -3.662 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.806 -4.652 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.179 -4.705 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.838 -6.178 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.219 -4.792 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.359 -6.314 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.375 -4.919 -2.696 1.00 0.00 H new ATOM 684 N ALA A 45 1.665 -6.205 -7.740 1.00 0.00 N ATOM 685 CA ALA A 45 2.145 -6.910 -8.927 1.00 0.00 C ATOM 686 C ALA A 45 1.984 -6.078 -10.198 1.00 0.00 C ATOM 687 O ALA A 45 2.503 -6.437 -11.255 1.00 0.00 O ATOM 688 CB ALA A 45 1.422 -8.241 -9.076 1.00 0.00 C ATOM 0 H ALA A 45 0.759 -6.522 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 45 3.211 -7.089 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.788 -8.757 -9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.608 -8.857 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.351 -8.064 -9.175 1.00 0.00 H new ATOM 694 N THR A 46 1.269 -4.971 -10.100 1.00 0.00 N ATOM 695 CA THR A 46 0.997 -4.146 -11.265 1.00 0.00 C ATOM 696 C THR A 46 1.133 -2.660 -10.926 1.00 0.00 C ATOM 697 O THR A 46 1.014 -1.797 -11.800 1.00 0.00 O ATOM 698 CB THR A 46 -0.430 -4.430 -11.791 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.637 -5.846 -11.870 1.00 0.00 O ATOM 700 CG2 THR A 46 -0.659 -3.812 -13.163 1.00 0.00 C ATOM 0 H THR A 46 0.867 -4.623 -9.229 1.00 0.00 H new ATOM 0 HA THR A 46 1.726 -4.394 -12.036 1.00 0.00 H new ATOM 0 HB THR A 46 -1.138 -3.980 -11.095 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.541 -6.026 -12.202 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.672 -4.034 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.525 -2.732 -13.102 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.056 -4.227 -13.873 1.00 0.00 H new ATOM 708 N GLU A 47 1.418 -2.371 -9.653 1.00 0.00 N ATOM 709 CA GLU A 47 1.359 -1.004 -9.137 1.00 0.00 C ATOM 710 C GLU A 47 -0.023 -0.423 -9.404 1.00 0.00 C ATOM 711 O GLU A 47 -0.188 0.769 -9.661 1.00 0.00 O ATOM 712 CB GLU A 47 2.445 -0.126 -9.766 1.00 0.00 C ATOM 713 CG GLU A 47 3.853 -0.574 -9.425 1.00 0.00 C ATOM 714 CD GLU A 47 4.069 -0.693 -7.934 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.780 -1.768 -7.370 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.524 0.288 -7.316 1.00 0.00 O ATOM 0 H GLU A 47 1.692 -3.068 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 47 1.540 -1.027 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.323 -0.130 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.308 0.903 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.050 -1.536 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.569 0.137 -9.838 1.00 0.00 H new ATOM 723 N ASN A 48 -1.016 -1.295 -9.326 1.00 0.00 N ATOM 724 CA ASN A 48 -2.387 -0.939 -9.628 1.00 0.00 C ATOM 725 C ASN A 48 -3.111 -0.548 -8.350 1.00 0.00 C ATOM 726 O ASN A 48 -3.548 -1.404 -7.584 1.00 0.00 O ATOM 727 CB ASN A 48 -3.091 -2.115 -10.312 1.00 0.00 C ATOM 728 CG ASN A 48 -4.472 -1.764 -10.829 1.00 0.00 C ATOM 729 OD1 ASN A 48 -5.367 -2.607 -10.863 1.00 0.00 O ATOM 730 ND2 ASN A 48 -4.655 -0.525 -11.250 1.00 0.00 N ATOM 0 H ASN A 48 -0.890 -2.269 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.399 -0.087 -10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.477 -2.465 -11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.173 -2.941 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.562 -0.240 -11.619 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.889 0.147 -11.206 1.00 0.00 H new ATOM 737 N VAL A 49 -3.206 0.746 -8.104 1.00 0.00 N ATOM 738 CA VAL A 49 -3.812 1.240 -6.881 1.00 0.00 C ATOM 739 C VAL A 49 -5.260 1.641 -7.125 1.00 0.00 C ATOM 740 O VAL A 49 -5.552 2.440 -8.012 1.00 0.00 O ATOM 741 CB VAL A 49 -3.036 2.447 -6.314 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.458 2.730 -4.881 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.534 2.217 -6.399 1.00 0.00 C ATOM 0 H VAL A 49 -2.871 1.474 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.777 0.431 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.277 3.320 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.899 3.585 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.525 2.952 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.253 1.857 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.010 3.082 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.269 1.330 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.246 2.074 -7.441 1.00 0.00 H new ATOM 753 N HIS A 50 -6.166 1.057 -6.359 1.00 0.00 N ATOM 754 CA HIS A 50 -7.582 1.381 -6.461 1.00 0.00 C ATOM 755 C HIS A 50 -8.023 2.210 -5.260 1.00 0.00 C ATOM 756 O HIS A 50 -8.313 1.662 -4.198 1.00 0.00 O ATOM 757 CB HIS A 50 -8.434 0.107 -6.542 1.00 0.00 C ATOM 758 CG HIS A 50 -8.262 -0.671 -7.811 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.314 -1.026 -8.625 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.152 -1.179 -8.396 1.00 0.00 C ATOM 761 CE1 HIS A 50 -8.861 -1.719 -9.653 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.553 -1.823 -9.538 1.00 0.00 N ATOM 0 H HIS A 50 -5.946 0.352 -5.655 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.727 1.958 -7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.185 -0.537 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.484 0.379 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.139 -1.093 -8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.460 -2.130 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.937 -2.305 -10.193 1.00 0.00 H new ATOM 771 N ILE A 51 -8.052 3.524 -5.422 1.00 0.00 N ATOM 772 CA ILE A 51 -8.454 4.413 -4.338 1.00 0.00 C ATOM 773 C ILE A 51 -9.963 4.601 -4.347 1.00 0.00 C ATOM 774 O ILE A 51 -10.493 5.384 -5.136 1.00 0.00 O ATOM 775 CB ILE A 51 -7.779 5.808 -4.420 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.251 5.697 -4.383 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.263 6.702 -3.288 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.632 5.342 -5.715 1.00 0.00 C ATOM 0 H ILE A 51 -7.803 3.999 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.129 3.937 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.062 6.254 -5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.836 6.645 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.969 4.942 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.779 7.676 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.343 6.827 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.014 6.244 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.549 5.282 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.018 4.379 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.882 6.109 -6.448 1.00 0.00 H new ATOM 790 N VAL A 52 -10.657 3.858 -3.500 1.00 0.00 N ATOM 791 CA VAL A 52 -12.097 3.992 -3.395 1.00 0.00 C ATOM 792 C VAL A 52 -12.433 5.250 -2.607 1.00 0.00 C ATOM 793 O VAL A 52 -12.106 5.362 -1.424 1.00 0.00 O ATOM 794 CB VAL A 52 -12.749 2.766 -2.719 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.267 2.871 -2.779 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.272 1.472 -3.366 1.00 0.00 C ATOM 0 H VAL A 52 -10.247 3.160 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.498 4.060 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.445 2.751 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.711 1.999 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.590 3.775 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.588 2.914 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.745 0.623 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.540 1.473 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.189 1.393 -3.266 1.00 0.00 H new ATOM 806 N LEU A 53 -13.072 6.197 -3.277 1.00 0.00 N ATOM 807 CA LEU A 53 -13.400 7.481 -2.678 1.00 0.00 C ATOM 808 C LEU A 53 -14.524 7.349 -1.662 1.00 0.00 C ATOM 809 O LEU A 53 -15.063 6.266 -1.444 1.00 0.00 O ATOM 810 CB LEU A 53 -13.803 8.483 -3.762 1.00 0.00 C ATOM 811 CG LEU A 53 -12.713 8.816 -4.782 1.00 0.00 C ATOM 812 CD1 LEU A 53 -13.209 9.859 -5.769 1.00 0.00 C ATOM 813 CD2 LEU A 53 -11.451 9.297 -4.081 1.00 0.00 C ATOM 0 H LEU A 53 -13.376 6.098 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.511 7.841 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.668 8.088 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.121 9.407 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.470 7.908 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.421 10.084 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.082 9.475 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.481 10.768 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.688 9.529 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.676 10.192 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.084 8.516 -3.416 1.00 0.00 H new ATOM 825 N LYS A 54 -14.881 8.476 -1.062 1.00 0.00 N ATOM 826 CA LYS A 54 -15.946 8.533 -0.072 1.00 0.00 C ATOM 827 C LYS A 54 -17.302 8.263 -0.721 1.00 0.00 C ATOM 828 O LYS A 54 -18.249 7.845 -0.055 1.00 0.00 O ATOM 829 CB LYS A 54 -15.940 9.916 0.586 1.00 0.00 C ATOM 830 CG LYS A 54 -17.014 10.116 1.643 1.00 0.00 C ATOM 831 CD LYS A 54 -17.045 11.556 2.114 1.00 0.00 C ATOM 832 CE LYS A 54 -18.142 11.788 3.140 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.275 13.224 3.479 1.00 0.00 N ATOM 0 H LYS A 54 -14.440 9.377 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.776 7.765 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.964 10.083 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.064 10.673 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.987 9.841 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.825 9.456 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.080 11.818 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.200 12.215 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.090 11.416 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.923 11.219 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.032 13.346 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.378 13.572 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.509 13.763 2.621 1.00 0.00 H new ATOM 847 N ASN A 55 -17.383 8.478 -2.029 1.00 0.00 N ATOM 848 CA ASN A 55 -18.648 8.356 -2.732 1.00 0.00 C ATOM 849 C ASN A 55 -18.515 7.463 -3.960 1.00 0.00 C ATOM 850 O ASN A 55 -18.624 7.927 -5.098 1.00 0.00 O ATOM 851 CB ASN A 55 -19.174 9.739 -3.129 1.00 0.00 C ATOM 852 CG ASN A 55 -20.602 9.703 -3.648 1.00 0.00 C ATOM 853 OD1 ASN A 55 -21.409 8.782 -3.138 1.00 0.00 O flip ATOM 854 ND2 ASN A 55 -20.983 10.512 -4.491 1.00 0.00 N flip ATOM 0 H ASN A 55 -16.591 8.736 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.364 7.889 -2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.123 10.403 -2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.525 10.163 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -20.334 11.207 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.948 10.489 -4.821 1.00 0.00 H new ATOM 861 N ASP A 56 -18.189 6.198 -3.706 1.00 0.00 N ATOM 862 CA ASP A 56 -18.307 5.118 -4.695 1.00 0.00 C ATOM 863 C ASP A 56 -17.183 5.106 -5.733 1.00 0.00 C ATOM 864 O ASP A 56 -16.576 4.061 -5.977 1.00 0.00 O ATOM 865 CB ASP A 56 -19.670 5.174 -5.393 1.00 0.00 C ATOM 866 CG ASP A 56 -19.875 4.038 -6.371 1.00 0.00 C ATOM 867 OD1 ASP A 56 -20.240 2.927 -5.928 1.00 0.00 O ATOM 868 OD2 ASP A 56 -19.701 4.252 -7.588 1.00 0.00 O ATOM 0 H ASP A 56 -17.832 5.886 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.216 4.188 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.459 5.147 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.764 6.123 -5.921 1.00 0.00 H new ATOM 873 N ASN A 57 -16.915 6.252 -6.347 1.00 0.00 N ATOM 874 CA ASN A 57 -15.927 6.335 -7.423 1.00 0.00 C ATOM 875 C ASN A 57 -14.558 5.873 -6.943 1.00 0.00 C ATOM 876 O ASN A 57 -14.154 6.151 -5.815 1.00 0.00 O ATOM 877 CB ASN A 57 -15.841 7.762 -7.974 1.00 0.00 C ATOM 878 CG ASN A 57 -14.870 7.883 -9.140 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.675 6.940 -9.907 1.00 0.00 O ATOM 880 ND2 ASN A 57 -14.248 9.043 -9.281 1.00 0.00 N ATOM 0 H ASN A 57 -17.366 7.138 -6.120 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.252 5.672 -8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.832 8.083 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.531 8.437 -7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.584 9.176 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.433 9.804 -8.627 1.00 0.00 H new ATOM 887 N THR A 58 -13.856 5.157 -7.800 1.00 0.00 N ATOM 888 CA THR A 58 -12.560 4.615 -7.449 1.00 0.00 C ATOM 889 C THR A 58 -11.481 5.107 -8.408 1.00 0.00 C ATOM 890 O THR A 58 -11.598 4.946 -9.627 1.00 0.00 O ATOM 891 CB THR A 58 -12.589 3.076 -7.465 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.688 2.597 -6.675 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.288 2.500 -6.925 1.00 0.00 C ATOM 0 H THR A 58 -14.164 4.937 -8.747 1.00 0.00 H new ATOM 0 HA THR A 58 -12.324 4.961 -6.443 1.00 0.00 H new ATOM 0 HB THR A 58 -12.711 2.751 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.700 1.617 -6.692 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.335 1.411 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.456 2.840 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.140 2.836 -5.899 1.00 0.00 H new ATOM 901 N VAL A 59 -10.441 5.715 -7.854 1.00 0.00 N ATOM 902 CA VAL A 59 -9.305 6.156 -8.642 1.00 0.00 C ATOM 903 C VAL A 59 -8.420 4.962 -8.960 1.00 0.00 C ATOM 904 O VAL A 59 -7.897 4.308 -8.056 1.00 0.00 O ATOM 905 CB VAL A 59 -8.467 7.223 -7.902 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.419 7.820 -8.831 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.366 8.308 -7.325 1.00 0.00 C ATOM 0 H VAL A 59 -10.363 5.914 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.690 6.606 -9.557 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.949 6.740 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.839 8.569 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.754 7.032 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.912 8.287 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.756 9.049 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.917 8.791 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.069 7.862 -6.621 1.00 0.00 H new ATOM 917 N LEU A 60 -8.281 4.659 -10.238 1.00 0.00 N ATOM 918 CA LEU A 60 -7.498 3.514 -10.665 1.00 0.00 C ATOM 919 C LEU A 60 -6.136 3.979 -11.174 1.00 0.00 C ATOM 920 O LEU A 60 -6.033 4.578 -12.246 1.00 0.00 O ATOM 921 CB LEU A 60 -8.267 2.734 -11.746 1.00 0.00 C ATOM 922 CG LEU A 60 -7.720 1.344 -12.103 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.809 0.499 -12.747 1.00 0.00 C ATOM 924 CD2 LEU A 60 -6.529 1.448 -13.045 1.00 0.00 C ATOM 0 H LEU A 60 -8.701 5.191 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.331 2.846 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.300 2.621 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.287 3.337 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.390 0.868 -11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.408 -0.484 -12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.641 0.386 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.159 0.988 -13.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.163 0.449 -13.280 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.835 1.948 -13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.735 2.022 -12.566 1.00 0.00 H new ATOM 936 N LEU A 61 -5.100 3.721 -10.391 1.00 0.00 N ATOM 937 CA LEU A 61 -3.744 4.097 -10.765 1.00 0.00 C ATOM 938 C LEU A 61 -2.993 2.895 -11.310 1.00 0.00 C ATOM 939 O LEU A 61 -3.180 1.773 -10.839 1.00 0.00 O ATOM 940 CB LEU A 61 -2.977 4.645 -9.557 1.00 0.00 C ATOM 941 CG LEU A 61 -3.672 5.754 -8.774 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.819 6.165 -7.586 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.946 6.952 -9.667 1.00 0.00 C ATOM 0 H LEU A 61 -5.172 3.251 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.815 4.869 -11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.772 3.819 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.013 5.020 -9.902 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.627 5.375 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.323 6.957 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.667 5.306 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.853 6.527 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.442 7.731 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.005 7.336 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.588 6.650 -10.494 1.00 0.00 H new ATOM 955 N LYS A 62 -2.152 3.129 -12.298 1.00 0.00 N ATOM 956 CA LYS A 62 -1.249 2.104 -12.782 1.00 0.00 C ATOM 957 C LYS A 62 0.171 2.654 -12.830 1.00 0.00 C ATOM 958 O LYS A 62 0.465 3.576 -13.589 1.00 0.00 O ATOM 959 CB LYS A 62 -1.687 1.561 -14.152 1.00 0.00 C ATOM 960 CG LYS A 62 -2.052 2.621 -15.181 1.00 0.00 C ATOM 961 CD LYS A 62 -2.346 1.984 -16.531 1.00 0.00 C ATOM 962 CE LYS A 62 -2.824 2.999 -17.561 1.00 0.00 C ATOM 963 NZ LYS A 62 -4.182 3.522 -17.252 1.00 0.00 N ATOM 0 H LYS A 62 -2.075 4.023 -12.783 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.277 1.263 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.882 0.947 -14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.546 0.906 -14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.923 3.180 -14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.234 3.334 -15.281 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.447 1.491 -16.901 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.105 1.211 -16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.119 3.829 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.832 2.536 -18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.512 4.116 -18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.839 2.726 -17.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.146 4.089 -16.381 1.00 0.00 H new ATOM 977 N GLY A 63 1.025 2.112 -11.969 1.00 0.00 N ATOM 978 CA GLY A 63 2.400 2.570 -11.873 1.00 0.00 C ATOM 979 C GLY A 63 3.184 2.339 -13.138 1.00 0.00 C ATOM 980 O GLY A 63 3.603 3.286 -13.806 1.00 0.00 O ATOM 0 H GLY A 63 0.786 1.355 -11.329 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.408 3.634 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.892 2.056 -11.047 1.00 0.00 H new ATOM 984 N LEU A 64 3.395 1.074 -13.455 1.00 0.00 N ATOM 985 CA LEU A 64 4.113 0.704 -14.657 1.00 0.00 C ATOM 986 C LEU A 64 3.288 -0.289 -15.466 1.00 0.00 C ATOM 987 O LEU A 64 2.352 0.097 -16.161 1.00 0.00 O ATOM 988 CB LEU A 64 5.492 0.116 -14.311 1.00 0.00 C ATOM 989 CG LEU A 64 6.444 1.060 -13.573 1.00 0.00 C ATOM 990 CD1 LEU A 64 7.711 0.323 -13.167 1.00 0.00 C ATOM 991 CD2 LEU A 64 6.783 2.267 -14.436 1.00 0.00 C ATOM 0 H LEU A 64 3.077 0.284 -12.893 1.00 0.00 H new ATOM 0 HA LEU A 64 4.275 1.598 -15.259 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.345 -0.774 -13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.972 -0.207 -15.235 1.00 0.00 H new ATOM 0 HG LEU A 64 5.944 1.415 -12.672 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.378 1.008 -12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.454 -0.507 -12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.210 -0.060 -14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.461 2.925 -13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.262 1.933 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.869 2.809 -14.679 1.00 0.00 H new ATOM 1003 N LYS A 65 3.604 -1.570 -15.314 1.00 0.00 N ATOM 1004 CA LYS A 65 2.934 -2.638 -16.057 1.00 0.00 C ATOM 1005 C LYS A 65 3.068 -3.964 -15.314 1.00 0.00 C ATOM 1006 O LYS A 65 2.106 -4.459 -14.732 1.00 0.00 O ATOM 1007 CB LYS A 65 3.512 -2.796 -17.476 1.00 0.00 C ATOM 1008 CG LYS A 65 3.153 -1.670 -18.440 1.00 0.00 C ATOM 1009 CD LYS A 65 1.654 -1.581 -18.689 1.00 0.00 C ATOM 1010 CE LYS A 65 1.129 -2.798 -19.429 1.00 0.00 C ATOM 1011 NZ LYS A 65 -0.336 -2.712 -19.666 1.00 0.00 N ATOM 0 H LYS A 65 4.328 -1.900 -14.676 1.00 0.00 H new ATOM 0 HA LYS A 65 1.883 -2.362 -16.141 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.598 -2.863 -17.406 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.160 -3.739 -17.894 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.509 -0.722 -18.037 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.668 -1.827 -19.388 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.133 -1.483 -17.737 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.435 -0.683 -19.266 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.646 -2.894 -20.384 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.352 -3.697 -18.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.656 -3.561 -20.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.832 -2.646 -18.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.546 -1.868 -20.236 1.00 0.00 H new ATOM 1025 N ASN A 66 4.271 -4.527 -15.327 1.00 0.00 N ATOM 1026 CA ASN A 66 4.523 -5.810 -14.681 1.00 0.00 C ATOM 1027 C ASN A 66 5.554 -5.652 -13.574 1.00 0.00 C ATOM 1028 O ASN A 66 6.724 -5.378 -13.835 1.00 0.00 O ATOM 1029 CB ASN A 66 5.004 -6.842 -15.709 1.00 0.00 C ATOM 1030 CG ASN A 66 5.203 -8.240 -15.123 1.00 0.00 C ATOM 1031 OD1 ASN A 66 5.557 -8.407 -13.956 1.00 0.00 O ATOM 1032 ND2 ASN A 66 4.972 -9.261 -15.936 1.00 0.00 N ATOM 0 H ASN A 66 5.088 -4.115 -15.778 1.00 0.00 H new ATOM 0 HA ASN A 66 3.590 -6.164 -14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.280 -6.897 -16.522 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.944 -6.501 -16.142 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.087 -10.217 -15.599 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.680 -9.091 -16.898 1.00 0.00 H new ATOM 1039 N ILE A 67 5.100 -5.809 -12.343 1.00 0.00 N ATOM 1040 CA ILE A 67 5.978 -5.773 -11.182 1.00 0.00 C ATOM 1041 C ILE A 67 5.662 -6.990 -10.308 1.00 0.00 C ATOM 1042 O ILE A 67 5.560 -6.907 -9.083 1.00 0.00 O ATOM 1043 CB ILE A 67 5.824 -4.455 -10.360 1.00 0.00 C ATOM 1044 CG1 ILE A 67 5.903 -3.208 -11.261 1.00 0.00 C ATOM 1045 CG2 ILE A 67 6.903 -4.359 -9.285 1.00 0.00 C ATOM 1046 CD1 ILE A 67 4.600 -2.855 -11.950 1.00 0.00 C ATOM 0 H ILE A 67 4.117 -5.964 -12.118 1.00 0.00 H new ATOM 0 HA ILE A 67 7.013 -5.801 -11.524 1.00 0.00 H new ATOM 0 HB ILE A 67 4.840 -4.487 -9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.224 -2.358 -10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.670 -3.369 -12.019 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.777 -3.433 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.818 -5.208 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.886 -4.367 -9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.742 -1.966 -12.564 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.286 -3.686 -12.582 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.833 -2.659 -11.200 1.00 0.00 H new ATOM 1058 N VAL A 68 5.497 -8.133 -10.961 1.00 0.00 N ATOM 1059 CA VAL A 68 5.117 -9.353 -10.268 1.00 0.00 C ATOM 1060 C VAL A 68 6.291 -9.941 -9.490 1.00 0.00 C ATOM 1061 O VAL A 68 7.055 -10.765 -10.002 1.00 0.00 O ATOM 1062 CB VAL A 68 4.545 -10.416 -11.237 1.00 0.00 C ATOM 1063 CG1 VAL A 68 4.081 -11.651 -10.474 1.00 0.00 C ATOM 1064 CG2 VAL A 68 3.399 -9.837 -12.054 1.00 0.00 C ATOM 0 H VAL A 68 5.621 -8.239 -11.968 1.00 0.00 H new ATOM 0 HA VAL A 68 4.332 -9.077 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 68 5.341 -10.713 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.683 -12.384 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.924 -12.084 -9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.304 -11.369 -9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.011 -10.600 -12.729 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.605 -9.507 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.759 -8.988 -12.635 1.00 0.00 H new ATOM 1074 N SER A 69 6.460 -9.457 -8.272 1.00 0.00 N ATOM 1075 CA SER A 69 7.383 -10.051 -7.324 1.00 0.00 C ATOM 1076 C SER A 69 6.591 -10.805 -6.262 1.00 0.00 C ATOM 1077 O SER A 69 7.150 -11.468 -5.386 1.00 0.00 O ATOM 1078 CB SER A 69 8.245 -8.961 -6.689 1.00 0.00 C ATOM 1079 OG SER A 69 7.448 -7.862 -6.277 1.00 0.00 O ATOM 0 H SER A 69 5.962 -8.642 -7.914 1.00 0.00 H new ATOM 0 HA SER A 69 8.043 -10.752 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.781 -9.369 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.996 -8.623 -7.403 1.00 0.00 H new ATOM 0 HG SER A 69 8.020 -7.177 -5.872 1.00 0.00 H new ATOM 1085 N VAL A 70 5.272 -10.697 -6.372 1.00 0.00 N ATOM 1086 CA VAL A 70 4.356 -11.349 -5.454 1.00 0.00 C ATOM 1087 C VAL A 70 4.384 -12.856 -5.663 1.00 0.00 C ATOM 1088 O VAL A 70 4.344 -13.339 -6.798 1.00 0.00 O ATOM 1089 CB VAL A 70 2.909 -10.841 -5.642 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.983 -11.444 -4.597 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.856 -9.321 -5.592 1.00 0.00 C ATOM 0 H VAL A 70 4.811 -10.154 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 70 4.682 -11.108 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 70 2.567 -11.161 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.970 -11.071 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.988 -12.530 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.326 -11.163 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.827 -8.988 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.226 -8.976 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.478 -8.909 -6.387 1.00 0.00 H new ATOM 1101 N LYS A 71 4.464 -13.596 -4.572 1.00 0.00 N ATOM 1102 CA LYS A 71 4.478 -15.044 -4.640 1.00 0.00 C ATOM 1103 C LYS A 71 3.235 -15.608 -3.970 1.00 0.00 C ATOM 1104 O LYS A 71 2.638 -14.962 -3.109 1.00 0.00 O ATOM 1105 CB LYS A 71 5.738 -15.606 -3.981 1.00 0.00 C ATOM 1106 CG LYS A 71 7.019 -14.976 -4.499 1.00 0.00 C ATOM 1107 CD LYS A 71 8.235 -15.825 -4.176 1.00 0.00 C ATOM 1108 CE LYS A 71 8.183 -17.165 -4.894 1.00 0.00 C ATOM 1109 NZ LYS A 71 8.105 -17.005 -6.371 1.00 0.00 N ATOM 0 H LYS A 71 4.520 -13.216 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 71 4.481 -15.341 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.676 -15.452 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.778 -16.682 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.947 -14.840 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.140 -13.986 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.140 -15.291 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.291 -15.989 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.069 -17.747 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.319 -17.730 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.342 -17.907 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.141 -16.722 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.778 -16.273 -6.677 1.00 0.00 H new ATOM 1123 N PHE A 72 2.846 -16.805 -4.371 1.00 0.00 N ATOM 1124 CA PHE A 72 1.672 -17.451 -3.806 1.00 0.00 C ATOM 1125 C PHE A 72 2.039 -18.140 -2.498 1.00 0.00 C ATOM 1126 O PHE A 72 2.184 -19.363 -2.437 1.00 0.00 O ATOM 1127 CB PHE A 72 1.068 -18.453 -4.793 1.00 0.00 C ATOM 1128 CG PHE A 72 0.618 -17.832 -6.085 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -0.624 -17.222 -6.178 1.00 0.00 C ATOM 1130 CD2 PHE A 72 1.434 -17.857 -7.203 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -1.043 -16.649 -7.363 1.00 0.00 C ATOM 1132 CE2 PHE A 72 1.020 -17.288 -8.392 1.00 0.00 C ATOM 1133 CZ PHE A 72 -0.220 -16.683 -8.472 1.00 0.00 C ATOM 0 H PHE A 72 3.326 -17.351 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 72 0.920 -16.688 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.805 -19.226 -5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.218 -18.946 -4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.271 -17.195 -5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.405 -18.326 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.012 -16.175 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.665 -17.316 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.545 -16.237 -9.400 1.00 0.00 H new ATOM 1143 N SER A 73 2.222 -17.334 -1.465 1.00 0.00 N ATOM 1144 CA SER A 73 2.636 -17.824 -0.162 1.00 0.00 C ATOM 1145 C SER A 73 1.779 -17.210 0.937 1.00 0.00 C ATOM 1146 O SER A 73 1.044 -16.251 0.698 1.00 0.00 O ATOM 1147 CB SER A 73 4.113 -17.489 0.072 1.00 0.00 C ATOM 1148 OG SER A 73 4.933 -18.066 -0.934 1.00 0.00 O ATOM 0 H SER A 73 2.088 -16.324 -1.507 1.00 0.00 H new ATOM 0 HA SER A 73 2.505 -18.906 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.247 -16.407 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.422 -17.855 1.051 1.00 0.00 H new ATOM 0 HG SER A 73 5.870 -17.837 -0.763 1.00 0.00 H new ATOM 1154 N LYS A 74 1.862 -17.782 2.131 1.00 0.00 N ATOM 1155 CA LYS A 74 1.149 -17.259 3.286 1.00 0.00 C ATOM 1156 C LYS A 74 2.072 -17.213 4.495 1.00 0.00 C ATOM 1157 O LYS A 74 2.265 -18.223 5.174 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.076 -18.125 3.611 1.00 0.00 C ATOM 1159 CG LYS A 74 -1.035 -18.303 2.447 1.00 0.00 C ATOM 1160 CD LYS A 74 -2.275 -19.076 2.862 1.00 0.00 C ATOM 1161 CE LYS A 74 -3.134 -19.430 1.660 1.00 0.00 C ATOM 1162 NZ LYS A 74 -2.468 -20.426 0.778 1.00 0.00 N ATOM 0 H LYS A 74 2.420 -18.614 2.324 1.00 0.00 H new ATOM 0 HA LYS A 74 0.812 -16.250 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.264 -19.107 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.614 -17.676 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.326 -17.326 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.531 -18.829 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.981 -19.988 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.858 -18.482 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.090 -19.828 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.350 -18.527 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.170 -20.843 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.724 -19.956 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.044 -21.176 1.360 1.00 0.00 H new ATOM 1176 N ASP A 75 2.673 -16.059 4.745 1.00 0.00 N ATOM 1177 CA ASP A 75 3.502 -15.886 5.931 1.00 0.00 C ATOM 1178 C ASP A 75 3.260 -14.515 6.544 1.00 0.00 C ATOM 1179 O ASP A 75 3.150 -13.518 5.834 1.00 0.00 O ATOM 1180 CB ASP A 75 4.987 -16.057 5.610 1.00 0.00 C ATOM 1181 CG ASP A 75 5.835 -16.090 6.866 1.00 0.00 C ATOM 1182 OD1 ASP A 75 6.223 -15.015 7.364 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.099 -17.193 7.380 1.00 0.00 O ATOM 0 H ASP A 75 2.604 -15.234 4.149 1.00 0.00 H new ATOM 0 HA ASP A 75 3.222 -16.659 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.133 -16.980 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.317 -15.239 4.970 1.00 0.00 H new ATOM 1188 N ARG A 76 3.162 -14.477 7.862 1.00 0.00 N ATOM 1189 CA ARG A 76 2.842 -13.246 8.569 1.00 0.00 C ATOM 1190 C ARG A 76 4.090 -12.597 9.159 1.00 0.00 C ATOM 1191 O ARG A 76 4.137 -11.383 9.354 1.00 0.00 O ATOM 1192 CB ARG A 76 1.839 -13.537 9.685 1.00 0.00 C ATOM 1193 CG ARG A 76 0.531 -14.133 9.194 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.341 -14.577 10.354 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.622 -15.112 9.902 1.00 0.00 N ATOM 1196 CZ ARG A 76 -2.029 -16.361 10.131 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.231 -17.226 10.743 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -3.233 -16.745 9.730 1.00 0.00 N ATOM 0 H ARG A 76 3.300 -15.287 8.467 1.00 0.00 H new ATOM 0 HA ARG A 76 2.407 -12.551 7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.294 -14.222 10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.627 -12.612 10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.004 -13.397 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.737 -14.984 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.185 -15.336 10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.516 -13.732 11.020 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.243 -14.493 9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.299 -16.937 11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.549 -18.180 10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.844 -16.086 9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.548 -17.700 9.903 1.00 0.00 H new ATOM 1212 N HIS A 77 5.112 -13.400 9.427 1.00 0.00 N ATOM 1213 CA HIS A 77 6.285 -12.906 10.134 1.00 0.00 C ATOM 1214 C HIS A 77 7.274 -12.247 9.186 1.00 0.00 C ATOM 1215 O HIS A 77 8.058 -11.403 9.606 1.00 0.00 O ATOM 1216 CB HIS A 77 6.968 -14.020 10.924 1.00 0.00 C ATOM 1217 CG HIS A 77 6.214 -14.440 12.150 1.00 0.00 C ATOM 1218 ND1 HIS A 77 6.238 -13.728 13.330 1.00 0.00 N ATOM 1219 CD2 HIS A 77 5.411 -15.504 12.377 1.00 0.00 C ATOM 1220 CE1 HIS A 77 5.486 -14.336 14.225 1.00 0.00 C ATOM 1221 NE2 HIS A 77 4.970 -15.417 13.672 1.00 0.00 N ATOM 0 H HIS A 77 5.152 -14.386 9.168 1.00 0.00 H new ATOM 0 HA HIS A 77 5.937 -12.150 10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.099 -14.886 10.275 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.964 -13.687 11.217 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.757 -12.864 13.486 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.163 -16.280 11.668 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.320 -14.005 15.240 1.00 0.00 H new ATOM 1230 N LEU A 78 7.246 -12.630 7.917 1.00 0.00 N ATOM 1231 CA LEU A 78 8.063 -11.960 6.912 1.00 0.00 C ATOM 1232 C LEU A 78 7.597 -10.513 6.766 1.00 0.00 C ATOM 1233 O LEU A 78 8.400 -9.604 6.567 1.00 0.00 O ATOM 1234 CB LEU A 78 7.989 -12.695 5.569 1.00 0.00 C ATOM 1235 CG LEU A 78 8.853 -12.106 4.447 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.304 -11.986 4.887 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.749 -12.965 3.196 1.00 0.00 C ATOM 0 H LEU A 78 6.672 -13.394 7.560 1.00 0.00 H new ATOM 0 HA LEU A 78 9.104 -11.970 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.285 -13.732 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.951 -12.706 5.237 1.00 0.00 H new ATOM 0 HG LEU A 78 8.483 -11.106 4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.897 -11.566 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.367 -11.333 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.689 -12.973 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.367 -12.536 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.094 -13.975 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.711 -13.001 2.865 1.00 0.00 H new ATOM 1249 N ILE A 79 6.292 -10.312 6.892 1.00 0.00 N ATOM 1250 CA ILE A 79 5.720 -8.975 6.930 1.00 0.00 C ATOM 1251 C ILE A 79 6.152 -8.267 8.212 1.00 0.00 C ATOM 1252 O ILE A 79 6.645 -7.139 8.187 1.00 0.00 O ATOM 1253 CB ILE A 79 4.177 -9.033 6.887 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.710 -9.831 5.667 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.583 -7.629 6.871 1.00 0.00 C ATOM 1256 CD1 ILE A 79 2.225 -10.119 5.668 1.00 0.00 C ATOM 0 H ILE A 79 5.607 -11.064 6.970 1.00 0.00 H new ATOM 0 HA ILE A 79 6.078 -8.428 6.058 1.00 0.00 H new ATOM 0 HB ILE A 79 3.826 -9.538 7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.965 -9.279 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.255 -10.774 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.495 -7.694 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.889 -7.094 7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.939 -7.093 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.964 -10.687 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.967 -10.698 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.672 -9.180 5.675 1.00 0.00 H new ATOM 1268 N GLU A 80 5.981 -8.975 9.324 1.00 0.00 N ATOM 1269 CA GLU A 80 6.313 -8.469 10.651 1.00 0.00 C ATOM 1270 C GLU A 80 7.775 -8.019 10.738 1.00 0.00 C ATOM 1271 O GLU A 80 8.065 -6.903 11.173 1.00 0.00 O ATOM 1272 CB GLU A 80 6.033 -9.568 11.676 1.00 0.00 C ATOM 1273 CG GLU A 80 6.376 -9.200 13.107 1.00 0.00 C ATOM 1274 CD GLU A 80 6.203 -10.372 14.045 1.00 0.00 C ATOM 1275 OE1 GLU A 80 7.071 -11.271 14.045 1.00 0.00 O ATOM 1276 OE2 GLU A 80 5.204 -10.405 14.790 1.00 0.00 O ATOM 0 H GLU A 80 5.605 -9.923 9.329 1.00 0.00 H new ATOM 0 HA GLU A 80 5.697 -7.594 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.977 -9.832 11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.598 -10.458 11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.406 -8.846 13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.740 -8.377 13.433 1.00 0.00 H new ATOM 1283 N THR A 81 8.690 -8.884 10.316 1.00 0.00 N ATOM 1284 CA THR A 81 10.118 -8.591 10.380 1.00 0.00 C ATOM 1285 C THR A 81 10.490 -7.407 9.498 1.00 0.00 C ATOM 1286 O THR A 81 11.293 -6.563 9.888 1.00 0.00 O ATOM 1287 CB THR A 81 10.966 -9.810 9.970 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.403 -10.422 8.804 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.042 -10.825 11.097 1.00 0.00 C ATOM 0 H THR A 81 8.467 -9.799 9.924 1.00 0.00 H new ATOM 0 HA THR A 81 10.333 -8.340 11.419 1.00 0.00 H new ATOM 0 HB THR A 81 11.977 -9.466 9.750 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.694 -11.044 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.646 -11.675 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.497 -10.363 11.973 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.038 -11.167 11.347 1.00 0.00 H new ATOM 1297 N THR A 82 9.902 -7.343 8.311 1.00 0.00 N ATOM 1298 CA THR A 82 10.172 -6.247 7.393 1.00 0.00 C ATOM 1299 C THR A 82 9.597 -4.938 7.936 1.00 0.00 C ATOM 1300 O THR A 82 10.200 -3.875 7.787 1.00 0.00 O ATOM 1301 CB THR A 82 9.597 -6.543 5.998 1.00 0.00 C ATOM 1302 OG1 THR A 82 10.080 -7.814 5.548 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.999 -5.472 4.996 1.00 0.00 C ATOM 0 H THR A 82 9.238 -8.034 7.963 1.00 0.00 H new ATOM 0 HA THR A 82 11.253 -6.143 7.302 1.00 0.00 H new ATOM 0 HB THR A 82 8.510 -6.553 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.614 -8.530 6.029 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.577 -5.710 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.623 -4.504 5.327 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.086 -5.433 4.922 1.00 0.00 H new ATOM 1311 N SER A 83 8.444 -5.025 8.589 1.00 0.00 N ATOM 1312 CA SER A 83 7.838 -3.864 9.221 1.00 0.00 C ATOM 1313 C SER A 83 8.703 -3.421 10.399 1.00 0.00 C ATOM 1314 O SER A 83 8.891 -2.226 10.636 1.00 0.00 O ATOM 1315 CB SER A 83 6.413 -4.192 9.683 1.00 0.00 C ATOM 1316 OG SER A 83 5.662 -3.013 9.919 1.00 0.00 O ATOM 0 H SER A 83 7.912 -5.889 8.693 1.00 0.00 H new ATOM 0 HA SER A 83 7.777 -3.048 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.914 -4.798 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.453 -4.789 10.594 1.00 0.00 H new ATOM 0 HG SER A 83 4.758 -3.254 10.210 1.00 0.00 H new ATOM 1322 N ASN A 84 9.246 -4.396 11.121 1.00 0.00 N ATOM 1323 CA ASN A 84 10.175 -4.117 12.208 1.00 0.00 C ATOM 1324 C ASN A 84 11.446 -3.477 11.660 1.00 0.00 C ATOM 1325 O ASN A 84 12.024 -2.591 12.281 1.00 0.00 O ATOM 1326 CB ASN A 84 10.539 -5.399 12.957 1.00 0.00 C ATOM 1327 CG ASN A 84 11.453 -5.137 14.141 1.00 0.00 C ATOM 1328 OD1 ASN A 84 11.307 -4.137 14.845 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.428 -6.007 14.342 1.00 0.00 N ATOM 0 H ASN A 84 9.058 -5.387 10.972 1.00 0.00 H new ATOM 0 HA ASN A 84 9.687 -3.431 12.900 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.627 -5.884 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.027 -6.092 12.271 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.092 -5.862 15.102 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.516 -6.824 13.737 1.00 0.00 H new ATOM 1336 N LYS A 85 11.868 -3.935 10.489 1.00 0.00 N ATOM 1337 CA LYS A 85 13.062 -3.415 9.833 1.00 0.00 C ATOM 1338 C LYS A 85 12.843 -1.965 9.403 1.00 0.00 C ATOM 1339 O LYS A 85 13.769 -1.152 9.410 1.00 0.00 O ATOM 1340 CB LYS A 85 13.408 -4.288 8.626 1.00 0.00 C ATOM 1341 CG LYS A 85 14.789 -4.030 8.049 1.00 0.00 C ATOM 1342 CD LYS A 85 15.143 -5.065 6.998 1.00 0.00 C ATOM 1343 CE LYS A 85 16.597 -4.959 6.572 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.994 -6.081 5.686 1.00 0.00 N ATOM 0 H LYS A 85 11.395 -4.674 9.968 1.00 0.00 H new ATOM 0 HA LYS A 85 13.895 -3.439 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.338 -5.336 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.664 -4.123 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.822 -3.034 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.530 -4.050 8.848 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.951 -6.063 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.499 -4.936 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.756 -4.013 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.235 -4.950 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.993 -5.974 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.866 -6.982 6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.402 -6.074 4.831 1.00 0.00 H new ATOM 1358 N LEU A 86 11.606 -1.656 9.033 1.00 0.00 N ATOM 1359 CA LEU A 86 11.206 -0.292 8.707 1.00 0.00 C ATOM 1360 C LEU A 86 11.302 0.593 9.949 1.00 0.00 C ATOM 1361 O LEU A 86 11.751 1.735 9.883 1.00 0.00 O ATOM 1362 CB LEU A 86 9.771 -0.294 8.164 1.00 0.00 C ATOM 1363 CG LEU A 86 9.181 1.074 7.818 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.900 1.688 6.630 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.691 0.949 7.539 1.00 0.00 C ATOM 0 H LEU A 86 10.854 -2.341 8.951 1.00 0.00 H new ATOM 0 HA LEU A 86 11.874 0.107 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.744 -0.916 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.125 -0.769 8.902 1.00 0.00 H new ATOM 0 HG LEU A 86 9.320 1.736 8.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.463 2.660 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.956 1.812 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.798 1.033 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.283 1.930 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.534 0.271 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.187 0.557 8.422 1.00 0.00 H new ATOM 1377 N LYS A 87 10.892 0.037 11.082 1.00 0.00 N ATOM 1378 CA LYS A 87 10.926 0.746 12.356 1.00 0.00 C ATOM 1379 C LYS A 87 12.354 0.854 12.893 1.00 0.00 C ATOM 1380 O LYS A 87 12.742 1.883 13.449 1.00 0.00 O ATOM 1381 CB LYS A 87 10.031 0.022 13.370 1.00 0.00 C ATOM 1382 CG LYS A 87 10.088 0.601 14.775 1.00 0.00 C ATOM 1383 CD LYS A 87 9.147 -0.127 15.720 1.00 0.00 C ATOM 1384 CE LYS A 87 9.532 -1.591 15.900 1.00 0.00 C ATOM 1385 NZ LYS A 87 10.833 -1.747 16.604 1.00 0.00 N ATOM 0 H LYS A 87 10.528 -0.914 11.145 1.00 0.00 H new ATOM 0 HA LYS A 87 10.553 1.758 12.198 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.000 0.055 13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.321 -1.028 13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.108 0.536 15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.826 1.659 14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.152 0.370 16.690 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.129 -0.065 15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.752 -2.103 16.463 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.589 -2.073 14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.423 -2.436 16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.322 -0.830 16.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.665 -2.085 17.573 1.00 0.00 H new ATOM 1399 N SER A 88 13.123 -0.215 12.731 1.00 0.00 N ATOM 1400 CA SER A 88 14.482 -0.268 13.250 1.00 0.00 C ATOM 1401 C SER A 88 15.431 0.580 12.411 1.00 0.00 C ATOM 1402 O SER A 88 16.179 1.404 12.943 1.00 0.00 O ATOM 1403 CB SER A 88 14.971 -1.718 13.295 1.00 0.00 C ATOM 1404 OG SER A 88 14.114 -2.518 14.095 1.00 0.00 O ATOM 0 H SER A 88 12.826 -1.060 12.242 1.00 0.00 H new ATOM 0 HA SER A 88 14.472 0.140 14.261 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.014 -2.123 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.984 -1.752 13.695 1.00 0.00 H new ATOM 0 HG SER A 88 13.284 -2.699 13.606 1.00 0.00 H new ATOM 1410 N ARG A 89 15.412 0.378 11.102 1.00 0.00 N ATOM 1411 CA ARG A 89 16.299 1.121 10.230 1.00 0.00 C ATOM 1412 C ARG A 89 15.535 2.269 9.569 1.00 0.00 C ATOM 1413 O ARG A 89 15.620 3.408 10.027 1.00 0.00 O ATOM 1414 CB ARG A 89 16.906 0.183 9.170 1.00 0.00 C ATOM 1415 CG ARG A 89 18.273 0.620 8.646 1.00 0.00 C ATOM 1416 CD ARG A 89 18.232 2.009 8.036 1.00 0.00 C ATOM 1417 NE ARG A 89 19.530 2.442 7.529 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.354 3.246 8.197 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.064 3.607 9.444 1.00 0.00 N ATOM 1420 NH2 ARG A 89 21.467 3.680 7.626 1.00 0.00 N ATOM 0 H ARG A 89 14.799 -0.286 10.628 1.00 0.00 H new ATOM 0 HA ARG A 89 17.114 1.542 10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.997 -0.816 9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.215 0.109 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 89 18.996 0.604 9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.620 -0.094 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.506 2.022 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.884 2.720 8.785 1.00 0.00 H new ATOM 0 HE ARG A 89 19.823 2.110 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.211 3.268 9.888 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.695 4.223 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.694 3.398 6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 89 22.097 4.296 8.140 1.00 0.00 H new ATOM 1434 N GLU A 90 14.758 1.923 8.538 1.00 0.00 N ATOM 1435 CA GLU A 90 13.992 2.873 7.710 1.00 0.00 C ATOM 1436 C GLU A 90 13.813 2.273 6.324 1.00 0.00 C ATOM 1437 O GLU A 90 12.806 2.510 5.660 1.00 0.00 O ATOM 1438 CB GLU A 90 14.676 4.249 7.574 1.00 0.00 C ATOM 1439 CG GLU A 90 16.019 4.219 6.858 1.00 0.00 C ATOM 1440 CD GLU A 90 16.696 5.573 6.834 1.00 0.00 C ATOM 1441 OE1 GLU A 90 17.401 5.911 7.809 1.00 0.00 O ATOM 1442 OE2 GLU A 90 16.523 6.310 5.841 1.00 0.00 O ATOM 0 H GLU A 90 14.638 0.953 8.245 1.00 0.00 H new ATOM 0 HA GLU A 90 13.036 3.039 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.007 4.921 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.819 4.670 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.673 3.499 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.874 3.871 5.835 1.00 0.00 H new ATOM 1449 N ILE A 91 14.820 1.482 5.920 1.00 0.00 N ATOM 1450 CA ILE A 91 14.873 0.816 4.613 1.00 0.00 C ATOM 1451 C ILE A 91 14.314 1.695 3.489 1.00 0.00 C ATOM 1452 O ILE A 91 14.715 2.850 3.339 1.00 0.00 O ATOM 1453 CB ILE A 91 14.185 -0.579 4.635 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.734 -0.495 5.133 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.992 -1.532 5.503 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.000 -1.819 5.110 1.00 0.00 C ATOM 0 H ILE A 91 15.633 1.285 6.504 1.00 0.00 H new ATOM 0 HA ILE A 91 15.929 0.652 4.399 1.00 0.00 H new ATOM 0 HB ILE A 91 14.152 -0.956 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.732 -0.107 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.190 0.222 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.509 -2.509 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.998 -1.631 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.048 -1.140 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.983 -1.678 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.969 -2.200 4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.519 -2.534 5.748 1.00 0.00 H new ATOM 1468 N THR A 92 13.423 1.143 2.686 1.00 0.00 N ATOM 1469 CA THR A 92 12.791 1.887 1.619 1.00 0.00 C ATOM 1470 C THR A 92 11.394 1.325 1.387 1.00 0.00 C ATOM 1471 O THR A 92 11.140 0.154 1.681 1.00 0.00 O ATOM 1472 CB THR A 92 13.625 1.811 0.320 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.975 2.208 0.592 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.053 2.711 -0.767 1.00 0.00 C ATOM 0 H THR A 92 13.120 0.172 2.756 1.00 0.00 H new ATOM 0 HA THR A 92 12.724 2.936 1.906 1.00 0.00 H new ATOM 0 HB THR A 92 13.595 0.781 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.503 2.158 -0.232 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.666 2.631 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.033 2.403 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.051 3.744 -0.420 1.00 0.00 H new ATOM 1482 N PHE A 93 10.492 2.157 0.875 1.00 0.00 N ATOM 1483 CA PHE A 93 9.115 1.748 0.619 1.00 0.00 C ATOM 1484 C PHE A 93 9.080 0.535 -0.310 1.00 0.00 C ATOM 1485 O PHE A 93 8.214 -0.328 -0.192 1.00 0.00 O ATOM 1486 CB PHE A 93 8.330 2.916 0.009 1.00 0.00 C ATOM 1487 CG PHE A 93 6.849 2.690 -0.080 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.058 2.731 1.056 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.245 2.444 -1.302 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.695 2.532 0.978 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.880 2.247 -1.389 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.104 2.289 -0.247 1.00 0.00 C ATOM 0 H PHE A 93 10.693 3.126 0.628 1.00 0.00 H new ATOM 0 HA PHE A 93 8.650 1.466 1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.513 3.811 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.716 3.114 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.514 2.921 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.848 2.406 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.091 2.566 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.421 2.060 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.037 2.132 -0.312 1.00 0.00 H new ATOM 1502 N GLN A 94 10.046 0.473 -1.220 1.00 0.00 N ATOM 1503 CA GLN A 94 10.164 -0.653 -2.136 1.00 0.00 C ATOM 1504 C GLN A 94 10.516 -1.932 -1.386 1.00 0.00 C ATOM 1505 O GLN A 94 9.867 -2.958 -1.565 1.00 0.00 O ATOM 1506 CB GLN A 94 11.221 -0.365 -3.200 1.00 0.00 C ATOM 1507 CG GLN A 94 10.894 0.837 -4.071 1.00 0.00 C ATOM 1508 CD GLN A 94 9.541 0.717 -4.742 1.00 0.00 C ATOM 1509 OE1 GLN A 94 9.069 -0.379 -5.032 1.00 0.00 O ATOM 1510 NE2 GLN A 94 8.906 1.849 -4.990 1.00 0.00 N ATOM 0 H GLN A 94 10.760 1.192 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 94 9.199 -0.793 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.181 -0.199 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.334 -1.244 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.914 1.740 -3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.665 0.950 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.332 2.740 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.990 1.832 -5.438 1.00 0.00 H new ATOM 1519 N GLU A 95 11.535 -1.848 -0.533 1.00 0.00 N ATOM 1520 CA GLU A 95 12.004 -2.995 0.247 1.00 0.00 C ATOM 1521 C GLU A 95 10.883 -3.562 1.115 1.00 0.00 C ATOM 1522 O GLU A 95 10.708 -4.780 1.207 1.00 0.00 O ATOM 1523 CB GLU A 95 13.190 -2.577 1.123 1.00 0.00 C ATOM 1524 CG GLU A 95 13.778 -3.703 1.965 1.00 0.00 C ATOM 1525 CD GLU A 95 14.305 -4.852 1.133 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.922 -4.598 0.079 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.113 -6.018 1.534 1.00 0.00 O ATOM 0 H GLU A 95 12.057 -0.989 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 95 12.323 -3.775 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.973 -2.171 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.871 -1.773 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.586 -3.306 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.014 -4.076 2.647 1.00 0.00 H new ATOM 1534 N TYR A 96 10.122 -2.671 1.739 1.00 0.00 N ATOM 1535 CA TYR A 96 9.006 -3.072 2.585 1.00 0.00 C ATOM 1536 C TYR A 96 7.990 -3.891 1.788 1.00 0.00 C ATOM 1537 O TYR A 96 7.559 -4.960 2.219 1.00 0.00 O ATOM 1538 CB TYR A 96 8.342 -1.831 3.197 1.00 0.00 C ATOM 1539 CG TYR A 96 7.238 -2.136 4.189 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.500 -2.814 5.372 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.931 -1.735 3.944 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.492 -3.087 6.278 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.918 -2.002 4.848 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.205 -2.677 6.013 1.00 0.00 C ATOM 1545 OH TYR A 96 4.199 -2.942 6.917 1.00 0.00 O ATOM 0 H TYR A 96 10.259 -1.662 1.674 1.00 0.00 H new ATOM 0 HA TYR A 96 9.385 -3.700 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.106 -1.234 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.932 -1.219 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.509 -3.134 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.701 -1.205 3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.714 -3.620 7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.907 -1.682 4.641 1.00 0.00 H new ATOM 0 HH TYR A 96 3.329 -2.845 6.476 1.00 0.00 H new ATOM 1555 N ARG A 97 7.630 -3.401 0.606 1.00 0.00 N ATOM 1556 CA ARG A 97 6.672 -4.098 -0.246 1.00 0.00 C ATOM 1557 C ARG A 97 7.275 -5.380 -0.799 1.00 0.00 C ATOM 1558 O ARG A 97 6.588 -6.386 -0.953 1.00 0.00 O ATOM 1559 CB ARG A 97 6.237 -3.215 -1.414 1.00 0.00 C ATOM 1560 CG ARG A 97 5.676 -1.868 -1.005 1.00 0.00 C ATOM 1561 CD ARG A 97 5.089 -1.142 -2.202 1.00 0.00 C ATOM 1562 NE ARG A 97 6.021 -1.082 -3.324 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.664 -1.315 -4.586 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.432 -1.706 -4.861 1.00 0.00 N ATOM 1565 NH2 ARG A 97 6.541 -1.189 -5.568 1.00 0.00 N ATOM 0 H ARG A 97 7.985 -2.528 0.217 1.00 0.00 H new ATOM 0 HA ARG A 97 5.805 -4.338 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.092 -3.055 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.484 -3.747 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.907 -2.005 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.463 -1.262 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.175 -1.646 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.810 -0.130 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 97 6.995 -0.850 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.756 -1.829 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.157 -1.885 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.501 -0.911 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.258 -1.370 -6.531 1.00 0.00 H new ATOM 1579 N ARG A 98 8.566 -5.324 -1.090 1.00 0.00 N ATOM 1580 CA ARG A 98 9.287 -6.430 -1.709 1.00 0.00 C ATOM 1581 C ARG A 98 9.165 -7.710 -0.886 1.00 0.00 C ATOM 1582 O ARG A 98 8.931 -8.790 -1.429 1.00 0.00 O ATOM 1583 CB ARG A 98 10.757 -6.038 -1.878 1.00 0.00 C ATOM 1584 CG ARG A 98 11.616 -7.086 -2.555 1.00 0.00 C ATOM 1585 CD ARG A 98 13.022 -6.560 -2.791 1.00 0.00 C ATOM 1586 NE ARG A 98 13.907 -7.569 -3.372 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.771 -7.321 -4.356 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.821 -6.119 -4.918 1.00 0.00 N ATOM 1589 NH2 ARG A 98 15.578 -8.281 -4.793 1.00 0.00 N ATOM 0 H ARG A 98 9.147 -4.507 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 98 8.845 -6.631 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.809 -5.116 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.177 -5.822 -0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.657 -7.983 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.166 -7.373 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.977 -5.696 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.441 -6.215 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 98 13.860 -8.519 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.196 -5.380 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.484 -5.935 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.537 -9.211 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.238 -8.089 -5.546 1.00 0.00 H new ATOM 1603 N ASN A 99 9.313 -7.590 0.426 1.00 0.00 N ATOM 1604 CA ASN A 99 9.204 -8.752 1.300 1.00 0.00 C ATOM 1605 C ASN A 99 7.750 -9.097 1.579 1.00 0.00 C ATOM 1606 O ASN A 99 7.418 -10.258 1.785 1.00 0.00 O ATOM 1607 CB ASN A 99 9.960 -8.539 2.611 1.00 0.00 C ATOM 1608 CG ASN A 99 11.461 -8.643 2.435 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.951 -9.383 1.577 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.195 -7.912 3.252 1.00 0.00 N ATOM 0 H ASN A 99 9.507 -6.711 0.905 1.00 0.00 H new ATOM 0 HA ASN A 99 9.662 -9.592 0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.711 -7.558 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.630 -9.278 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.213 -7.944 3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.745 -7.315 3.946 1.00 0.00 H new ATOM 1617 N LEU A 100 6.880 -8.094 1.577 1.00 0.00 N ATOM 1618 CA LEU A 100 5.454 -8.342 1.754 1.00 0.00 C ATOM 1619 C LEU A 100 4.898 -9.132 0.576 1.00 0.00 C ATOM 1620 O LEU A 100 4.151 -10.092 0.758 1.00 0.00 O ATOM 1621 CB LEU A 100 4.686 -7.028 1.926 1.00 0.00 C ATOM 1622 CG LEU A 100 4.447 -6.598 3.379 1.00 0.00 C ATOM 1623 CD1 LEU A 100 5.760 -6.464 4.137 1.00 0.00 C ATOM 1624 CD2 LEU A 100 3.678 -5.288 3.418 1.00 0.00 C ATOM 0 H LEU A 100 7.132 -7.113 1.456 1.00 0.00 H new ATOM 0 HA LEU A 100 5.325 -8.933 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.233 -6.236 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.721 -7.122 1.428 1.00 0.00 H new ATOM 0 HG LEU A 100 3.855 -7.372 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.558 -6.158 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.278 -7.423 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.386 -5.715 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.514 -4.993 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.251 -4.514 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.716 -5.416 2.921 1.00 0.00 H new ATOM 1636 N ALA A 101 5.283 -8.741 -0.631 1.00 0.00 N ATOM 1637 CA ALA A 101 4.882 -9.458 -1.834 1.00 0.00 C ATOM 1638 C ALA A 101 5.469 -10.866 -1.832 1.00 0.00 C ATOM 1639 O ALA A 101 4.834 -11.823 -2.276 1.00 0.00 O ATOM 1640 CB ALA A 101 5.330 -8.699 -3.072 1.00 0.00 C ATOM 0 H ALA A 101 5.875 -7.928 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 101 3.795 -9.536 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.024 -9.245 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.872 -7.710 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.415 -8.597 -3.063 1.00 0.00 H new ATOM 1646 N LYS A 102 6.682 -10.972 -1.303 1.00 0.00 N ATOM 1647 CA LYS A 102 7.369 -12.249 -1.168 1.00 0.00 C ATOM 1648 C LYS A 102 6.663 -13.131 -0.134 1.00 0.00 C ATOM 1649 O LYS A 102 6.738 -14.359 -0.189 1.00 0.00 O ATOM 1650 CB LYS A 102 8.820 -11.997 -0.747 1.00 0.00 C ATOM 1651 CG LYS A 102 9.704 -13.233 -0.739 1.00 0.00 C ATOM 1652 CD LYS A 102 11.086 -12.919 -0.180 1.00 0.00 C ATOM 1653 CE LYS A 102 11.788 -11.833 -0.983 1.00 0.00 C ATOM 1654 NZ LYS A 102 13.109 -11.475 -0.401 1.00 0.00 N ATOM 0 H LYS A 102 7.216 -10.175 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 102 7.353 -12.769 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.256 -11.260 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.823 -11.558 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.236 -14.014 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.799 -13.622 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.994 -12.601 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.694 -13.824 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.924 -12.172 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.156 -10.945 -1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.733 -11.116 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.981 -10.741 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.538 -12.318 0.032 1.00 0.00 H new ATOM 1668 N ALA A 103 5.976 -12.487 0.804 1.00 0.00 N ATOM 1669 CA ALA A 103 5.255 -13.189 1.858 1.00 0.00 C ATOM 1670 C ALA A 103 3.875 -13.623 1.382 1.00 0.00 C ATOM 1671 O ALA A 103 3.210 -14.431 2.031 1.00 0.00 O ATOM 1672 CB ALA A 103 5.132 -12.309 3.094 1.00 0.00 C ATOM 0 H ALA A 103 5.904 -11.471 0.855 1.00 0.00 H new ATOM 0 HA ALA A 103 5.823 -14.083 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.591 -12.848 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.127 -12.050 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.590 -11.398 2.840 1.00 0.00 H new ATOM 1678 N GLY A 104 3.448 -13.074 0.251 1.00 0.00 N ATOM 1679 CA GLY A 104 2.173 -13.462 -0.320 1.00 0.00 C ATOM 1680 C GLY A 104 1.158 -12.335 -0.343 1.00 0.00 C ATOM 1681 O GLY A 104 0.001 -12.553 -0.701 1.00 0.00 O ATOM 0 H GLY A 104 3.960 -12.369 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.332 -13.819 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.766 -14.297 0.251 1.00 0.00 H new ATOM 1685 N VAL A 105 1.580 -11.135 0.032 1.00 0.00 N ATOM 1686 CA VAL A 105 0.685 -9.983 0.028 1.00 0.00 C ATOM 1687 C VAL A 105 0.491 -9.468 -1.391 1.00 0.00 C ATOM 1688 O VAL A 105 1.421 -8.952 -2.013 1.00 0.00 O ATOM 1689 CB VAL A 105 1.212 -8.842 0.923 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.278 -7.639 0.874 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.381 -9.324 2.354 1.00 0.00 C ATOM 0 H VAL A 105 2.531 -10.933 0.341 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.271 -10.316 0.432 1.00 0.00 H new ATOM 0 HB VAL A 105 2.186 -8.533 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.670 -6.848 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.206 -7.276 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.711 -7.932 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.753 -8.507 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.419 -9.662 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.092 -10.150 2.378 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.721 -9.628 -1.894 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.058 -9.208 -3.243 1.00 0.00 C ATOM 1703 C PHE A 106 -1.967 -7.983 -3.201 1.00 0.00 C ATOM 1704 O PHE A 106 -1.934 -7.137 -4.098 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.744 -10.361 -3.986 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.141 -10.038 -5.398 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.181 -9.933 -6.388 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.472 -9.848 -5.734 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.537 -9.644 -7.689 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.835 -9.558 -7.036 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.866 -9.455 -8.015 1.00 0.00 C ATOM 0 H PHE A 106 -1.495 -10.050 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.145 -8.940 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.073 -11.220 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.633 -10.658 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.140 -10.079 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.233 -9.927 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.777 -9.566 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.875 -9.412 -7.287 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.147 -9.227 -9.033 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.765 -7.884 -2.146 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.712 -6.790 -2.011 1.00 0.00 C ATOM 1723 C ARG A 107 -3.387 -5.940 -0.790 1.00 0.00 C ATOM 1724 O ARG A 107 -3.652 -6.332 0.348 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.148 -7.316 -1.916 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.570 -8.152 -3.113 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.046 -8.508 -3.057 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.437 -9.385 -4.163 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.683 -9.498 -4.627 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.653 -8.745 -4.120 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -8.959 -10.357 -5.603 1.00 0.00 N ATOM 0 H ARG A 107 -2.774 -8.549 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.629 -6.168 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.247 -7.916 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.830 -6.471 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.363 -7.603 -4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.976 -9.065 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.266 -8.999 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.641 -7.595 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.710 -9.946 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.446 -8.080 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.605 -8.832 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.217 -10.933 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.913 -10.440 -5.955 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.789 -4.791 -1.044 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.453 -3.842 0.002 1.00 0.00 C ATOM 1747 C TRP A 108 -3.643 -2.915 0.239 1.00 0.00 C ATOM 1748 O TRP A 108 -3.805 -1.909 -0.450 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.214 -3.047 -0.432 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.669 -2.082 0.580 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.345 -1.102 1.247 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.696 -1.975 0.990 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.489 -0.412 2.066 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.771 -0.925 1.924 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.863 -2.671 0.665 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.962 -0.557 2.535 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 3.048 -2.299 1.269 1.00 0.00 C ATOM 1758 CH2 TRP A 108 3.088 -1.251 2.195 1.00 0.00 C ATOM 0 H TRP A 108 -2.522 -4.489 -1.981 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.229 -4.360 0.934 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.426 -3.753 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.460 -2.493 -1.338 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.401 -0.899 1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -0.749 0.359 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.839 -3.484 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.997 0.249 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.958 -2.825 1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.030 -0.985 2.651 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.494 -3.270 1.187 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.693 -2.488 1.455 1.00 0.00 C ATOM 1771 C VAL A 109 -5.514 -1.616 2.691 1.00 0.00 C ATOM 1772 O VAL A 109 -5.578 -2.100 3.821 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.932 -3.388 1.647 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.191 -2.550 1.828 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.092 -4.341 0.472 1.00 0.00 C ATOM 0 H VAL A 109 -4.379 -4.090 1.782 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.853 -1.853 0.583 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.782 -3.977 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.050 -3.208 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.081 -1.914 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.344 -1.928 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.971 -4.966 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.212 -3.768 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.207 -4.973 0.393 1.00 0.00 H new ATOM 1785 N THR A 110 -5.273 -0.335 2.478 1.00 0.00 N ATOM 1786 CA THR A 110 -5.149 0.604 3.581 1.00 0.00 C ATOM 1787 C THR A 110 -6.418 1.438 3.711 1.00 0.00 C ATOM 1788 O THR A 110 -6.791 2.175 2.794 1.00 0.00 O ATOM 1789 CB THR A 110 -3.927 1.530 3.410 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.736 0.741 3.328 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.807 2.505 4.572 1.00 0.00 C ATOM 0 H THR A 110 -5.159 0.080 1.553 1.00 0.00 H new ATOM 0 HA THR A 110 -5.003 0.022 4.491 1.00 0.00 H new ATOM 0 HB THR A 110 -4.061 2.103 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.652 0.369 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.937 3.144 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.705 3.121 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.694 1.949 5.503 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.086 1.301 4.844 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.327 2.014 5.095 1.00 0.00 C ATOM 1801 C ASN A 111 -8.072 3.141 6.090 1.00 0.00 C ATOM 1802 O ASN A 111 -7.879 2.891 7.281 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.389 1.037 5.624 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.796 1.610 5.606 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.002 2.802 5.799 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.778 0.749 5.363 1.00 0.00 N ATOM 0 H ASN A 111 -6.787 0.698 5.610 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.699 2.450 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.367 0.128 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.134 0.751 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.745 1.073 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.565 -0.236 5.207 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.054 4.378 5.598 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.727 5.526 6.440 1.00 0.00 C ATOM 1815 C ILE A 112 -8.882 5.806 7.400 1.00 0.00 C ATOM 1816 O ILE A 112 -8.682 6.286 8.511 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.386 6.795 5.595 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.374 7.674 6.330 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.625 7.615 5.265 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.009 7.043 6.476 1.00 0.00 C ATOM 0 H ILE A 112 -8.261 4.610 4.627 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.833 5.280 7.014 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.955 6.444 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.272 8.618 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.763 7.909 7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.338 8.487 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.323 7.005 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -9.102 7.942 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.347 7.727 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.096 6.113 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.597 6.834 5.489 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.087 5.434 6.971 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.292 5.576 7.782 1.00 0.00 C ATOM 1834 C HIS A 113 -11.227 4.642 8.985 1.00 0.00 C ATOM 1835 O HIS A 113 -11.922 4.834 9.985 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.519 5.224 6.936 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.830 5.389 7.646 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.556 4.320 8.121 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.547 6.497 7.955 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.663 4.758 8.689 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.681 6.072 8.604 1.00 0.00 N ATOM 0 H HIS A 113 -10.254 5.026 6.051 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.365 6.606 8.132 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.522 5.850 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.429 4.191 6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.278 7.519 7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.425 4.144 9.146 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.419 6.678 8.963 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.389 3.630 8.867 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.321 2.570 9.847 1.00 0.00 C ATOM 1852 C GLU A 114 -8.983 2.597 10.582 1.00 0.00 C ATOM 1853 O GLU A 114 -8.802 1.904 11.588 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.524 1.240 9.122 1.00 0.00 C ATOM 1855 CG GLU A 114 -10.888 0.076 10.020 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.052 0.387 10.932 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.151 0.686 10.420 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -11.873 0.329 12.164 1.00 0.00 O ATOM 0 H GLU A 114 -9.738 3.522 8.089 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.100 2.703 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.309 1.365 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.609 0.993 8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.134 -0.789 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.022 -0.198 10.623 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.055 3.419 10.078 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.702 3.519 10.633 1.00 0.00 C ATOM 1867 C GLN A 115 -5.983 2.166 10.614 1.00 0.00 C ATOM 1868 O GLN A 115 -5.086 1.922 11.421 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.731 4.060 12.070 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.796 5.577 12.173 1.00 0.00 C ATOM 1871 CD GLN A 115 -8.113 6.164 11.706 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -9.168 5.544 11.821 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -8.058 7.375 11.177 1.00 0.00 N ATOM 0 H GLN A 115 -8.220 4.030 9.278 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.152 4.215 10.000 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.592 3.636 12.587 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.841 3.711 12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.625 5.870 13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.987 6.007 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.163 7.857 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.911 7.827 10.847 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.351 1.306 9.674 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.811 -0.047 9.638 1.00 0.00 C ATOM 1884 C LYS A 116 -5.375 -0.440 8.229 1.00 0.00 C ATOM 1885 O LYS A 116 -6.009 -0.065 7.239 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.856 -1.046 10.147 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.293 -0.797 11.585 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.397 -1.749 12.014 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.948 -1.376 13.385 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.608 -0.038 13.383 1.00 0.00 N ATOM 0 H LYS A 116 -7.017 1.519 8.931 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.934 -0.069 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.731 -1.005 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.449 -2.054 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.437 -0.911 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.640 0.231 11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.202 -1.731 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.012 -2.768 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.665 -2.132 13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.137 -1.378 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.527 0.390 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.145 0.576 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.613 -0.147 13.137 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.279 -1.179 8.154 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.822 -1.769 6.907 1.00 0.00 C ATOM 1906 C ARG A 117 -4.159 -3.251 6.894 1.00 0.00 C ATOM 1907 O ARG A 117 -3.728 -4.004 7.772 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.312 -1.605 6.728 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.847 -0.187 6.448 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.358 -0.168 6.146 1.00 0.00 C ATOM 1911 NE ARG A 117 0.155 1.176 5.880 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.444 1.443 5.658 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.332 0.454 5.644 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.851 2.691 5.453 1.00 0.00 N ATOM 0 H ARG A 117 -3.683 -1.386 8.955 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.326 -1.253 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.814 -1.963 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.987 -2.246 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.401 0.224 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.058 0.448 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.183 -0.597 6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.160 -0.804 5.283 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.508 1.951 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.028 -0.507 5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.317 0.656 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.176 3.456 5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.838 2.884 5.284 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.932 -3.663 5.910 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.280 -5.061 5.745 1.00 0.00 C ATOM 1930 C TYR A 118 -4.477 -5.661 4.601 1.00 0.00 C ATOM 1931 O TYR A 118 -4.699 -5.334 3.435 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.777 -5.217 5.472 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.664 -4.794 6.620 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.897 -5.647 7.690 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.275 -3.546 6.630 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.716 -5.273 8.738 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.093 -3.163 7.677 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.310 -4.030 8.726 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.130 -3.656 9.765 1.00 0.00 O ATOM 0 H TYR A 118 -5.335 -3.044 5.206 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.042 -5.589 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.037 -4.630 4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.984 -6.260 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.430 -6.621 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.109 -2.865 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.889 -5.950 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.560 -2.189 7.673 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.837 -4.099 10.589 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.529 -6.518 4.942 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.701 -7.164 3.941 1.00 0.00 C ATOM 1951 C TYR A 119 -3.342 -8.470 3.490 1.00 0.00 C ATOM 1952 O TYR A 119 -3.331 -9.466 4.219 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.289 -7.419 4.483 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.542 -6.153 4.860 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.272 -5.172 3.911 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.103 -5.941 6.162 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.410 -4.017 4.251 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.582 -4.790 6.508 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.838 -3.832 5.549 1.00 0.00 C ATOM 1960 OH TYR A 119 1.525 -2.688 5.892 1.00 0.00 O ATOM 0 H TYR A 119 -3.315 -6.781 5.904 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.619 -6.499 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.357 -8.065 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.713 -7.960 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.600 -5.314 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -0.300 -6.688 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.606 -3.263 3.503 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.915 -4.642 7.525 1.00 0.00 H new ATOM 0 HH TYR A 119 1.346 -2.467 6.830 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.920 -8.449 2.296 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.589 -9.618 1.743 1.00 0.00 C ATOM 1972 C TYR A 120 -3.693 -10.330 0.736 1.00 0.00 C ATOM 1973 O TYR A 120 -2.945 -9.691 -0.008 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.898 -9.224 1.056 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.015 -8.832 2.000 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.883 -9.788 2.502 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.213 -7.510 2.372 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.915 -9.443 3.352 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.246 -7.155 3.220 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.094 -8.126 3.708 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.126 -7.778 4.553 1.00 0.00 O ATOM 0 H TYR A 120 -3.938 -7.629 1.689 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.807 -10.292 2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.702 -8.391 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.236 -10.059 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.750 -10.823 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.550 -6.746 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.579 -10.204 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.388 -6.121 3.499 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.112 -6.810 4.705 1.00 0.00 H new ATOM 1991 N THR A 121 -3.772 -11.649 0.716 1.00 0.00 N ATOM 1992 CA THR A 121 -3.064 -12.437 -0.277 1.00 0.00 C ATOM 1993 C THR A 121 -3.847 -12.433 -1.594 1.00 0.00 C ATOM 1994 O THR A 121 -4.906 -11.804 -1.687 1.00 0.00 O ATOM 1995 CB THR A 121 -2.832 -13.889 0.215 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.996 -14.604 -0.704 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.148 -14.634 0.390 1.00 0.00 C ATOM 0 H THR A 121 -4.321 -12.198 1.378 1.00 0.00 H new ATOM 0 HA THR A 121 -2.085 -11.986 -0.440 1.00 0.00 H new ATOM 0 HB THR A 121 -2.337 -13.830 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.195 -14.074 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.949 -15.648 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.765 -14.115 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.674 -14.673 -0.564 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.328 -13.123 -2.604 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.967 -13.178 -3.917 1.00 0.00 C ATOM 2007 C PHE A 122 -5.397 -13.702 -3.807 1.00 0.00 C ATOM 2008 O PHE A 122 -6.297 -13.245 -4.514 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.156 -14.072 -4.860 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.738 -14.189 -6.245 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.534 -13.191 -7.182 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.490 -15.297 -6.605 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -4.066 -13.294 -8.454 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -5.025 -15.407 -7.877 1.00 0.00 C ATOM 2015 CZ PHE A 122 -4.814 -14.402 -8.800 1.00 0.00 C ATOM 0 H PHE A 122 -2.461 -13.656 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.001 -12.166 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.142 -13.678 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.080 -15.068 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.952 -12.321 -6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.660 -16.083 -5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.897 -12.509 -9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.606 -16.277 -8.147 1.00 0.00 H new ATOM 0 HZ PHE A 122 -5.234 -14.482 -9.792 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.600 -14.640 -2.889 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.903 -15.278 -2.701 1.00 0.00 C ATOM 2027 C ASP A 123 -7.824 -14.410 -1.836 1.00 0.00 C ATOM 2028 O ASP A 123 -8.858 -14.870 -1.350 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.709 -16.661 -2.063 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.970 -17.505 -2.072 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.441 -17.873 -3.169 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -8.478 -17.829 -0.981 1.00 0.00 O ATOM 0 H ASP A 123 -4.874 -14.979 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.379 -15.394 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.920 -17.192 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.371 -16.535 -1.034 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.432 -13.150 -1.642 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.225 -12.180 -0.877 1.00 0.00 C ATOM 2039 C ASN A 124 -8.379 -12.635 0.576 1.00 0.00 C ATOM 2040 O ASN A 124 -9.314 -12.259 1.275 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.594 -11.963 -1.548 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.355 -10.766 -0.996 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.090 -9.624 -1.371 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -11.336 -11.020 -0.143 1.00 0.00 N ATOM 0 H ASN A 124 -6.559 -12.772 -2.009 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.700 -11.225 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.448 -11.828 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.200 -12.860 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -11.902 -10.256 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.526 -11.980 0.145 1.00 0.00 H new ATOM 2051 N SER A 125 -7.438 -13.443 1.030 1.00 0.00 N ATOM 2052 CA SER A 125 -7.421 -13.883 2.410 1.00 0.00 C ATOM 2053 C SER A 125 -6.518 -12.966 3.231 1.00 0.00 C ATOM 2054 O SER A 125 -5.397 -12.661 2.817 1.00 0.00 O ATOM 2055 CB SER A 125 -6.934 -15.327 2.482 1.00 0.00 C ATOM 2056 OG SER A 125 -7.663 -16.142 1.578 1.00 0.00 O ATOM 0 H SER A 125 -6.675 -13.808 0.460 1.00 0.00 H new ATOM 0 HA SER A 125 -8.429 -13.836 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.871 -15.371 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.050 -15.706 3.497 1.00 0.00 H new ATOM 0 HG SER A 125 -7.338 -17.065 1.635 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.020 -12.515 4.372 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.283 -11.586 5.221 1.00 0.00 C ATOM 2064 C LEU A 126 -5.109 -12.291 5.894 1.00 0.00 C ATOM 2065 O LEU A 126 -5.298 -13.259 6.631 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.220 -10.988 6.273 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.583 -9.972 7.221 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.053 -8.776 6.449 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.592 -9.526 8.264 1.00 0.00 C ATOM 0 H LEU A 126 -7.937 -12.778 4.733 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.888 -10.782 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.054 -10.508 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.637 -11.801 6.867 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.744 -10.449 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.604 -8.065 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.301 -9.109 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.873 -8.294 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.127 -8.802 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.447 -9.066 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.927 -10.389 8.839 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.903 -11.808 5.629 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.701 -12.393 6.209 1.00 0.00 C ATOM 2083 C LEU A 127 -2.263 -11.630 7.450 1.00 0.00 C ATOM 2084 O LEU A 127 -2.023 -12.227 8.500 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.564 -12.415 5.181 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.740 -13.420 4.043 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.591 -13.310 3.053 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.824 -14.835 4.599 1.00 0.00 C ATOM 0 H LEU A 127 -3.730 -11.012 5.015 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.937 -13.417 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.463 -11.418 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.631 -12.635 5.699 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.669 -13.193 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.733 -14.033 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.566 -12.303 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.350 -13.515 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.949 -15.541 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.908 -15.068 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.675 -14.910 5.276 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.174 -10.313 7.340 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.667 -9.498 8.436 1.00 0.00 C ATOM 2102 C PHE A 128 -2.489 -8.221 8.577 1.00 0.00 C ATOM 2103 O PHE A 128 -2.956 -7.658 7.585 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.190 -9.158 8.194 1.00 0.00 C ATOM 2105 CG PHE A 128 0.525 -8.624 9.402 1.00 0.00 C ATOM 2106 CD1 PHE A 128 1.048 -9.490 10.348 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.685 -7.261 9.583 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.717 -9.005 11.455 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.351 -6.768 10.688 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.870 -7.641 11.624 1.00 0.00 C ATOM 0 H PHE A 128 -2.444 -9.787 6.509 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.753 -10.064 9.363 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.325 -10.054 7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.125 -8.422 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.932 -10.556 10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.284 -6.575 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.120 -9.690 12.187 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.466 -5.702 10.820 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.395 -7.259 12.487 1.00 0.00 H new ATOM 2120 N THR A 129 -2.678 -7.780 9.812 1.00 0.00 N ATOM 2121 CA THR A 129 -3.390 -6.543 10.087 1.00 0.00 C ATOM 2122 C THR A 129 -2.535 -5.630 10.962 1.00 0.00 C ATOM 2123 O THR A 129 -2.107 -6.026 12.048 1.00 0.00 O ATOM 2124 CB THR A 129 -4.733 -6.815 10.797 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.469 -7.811 10.078 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.569 -5.545 10.905 1.00 0.00 C ATOM 0 H THR A 129 -2.345 -8.266 10.645 1.00 0.00 H new ATOM 0 HA THR A 129 -3.593 -6.058 9.132 1.00 0.00 H new ATOM 0 HB THR A 129 -4.516 -7.170 11.804 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.901 -8.420 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.509 -5.770 11.410 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.021 -4.796 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.777 -5.160 9.907 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.279 -4.420 10.488 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.495 -3.467 11.256 1.00 0.00 C ATOM 2136 C GLU A 130 -2.212 -2.126 11.326 1.00 0.00 C ATOM 2137 O GLU A 130 -2.892 -1.725 10.383 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.099 -3.299 10.645 1.00 0.00 C ATOM 2139 CG GLU A 130 0.829 -2.423 11.477 1.00 0.00 C ATOM 2140 CD GLU A 130 0.971 -2.915 12.904 1.00 0.00 C ATOM 2141 OE1 GLU A 130 0.107 -2.579 13.746 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.941 -3.641 13.192 1.00 0.00 O ATOM 0 H GLU A 130 -2.600 -4.077 9.583 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.380 -3.852 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.356 -4.282 10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.197 -2.867 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.812 -2.393 11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.448 -1.402 11.485 1.00 0.00 H new ATOM 2149 N SER A 131 -2.061 -1.447 12.449 1.00 0.00 N ATOM 2150 CA SER A 131 -2.730 -0.179 12.679 1.00 0.00 C ATOM 2151 C SER A 131 -1.783 0.990 12.438 1.00 0.00 C ATOM 2152 O SER A 131 -0.694 1.042 13.008 1.00 0.00 O ATOM 2153 CB SER A 131 -3.264 -0.151 14.112 1.00 0.00 C ATOM 2154 OG SER A 131 -2.270 -0.587 15.030 1.00 0.00 O ATOM 0 H SER A 131 -1.474 -1.757 13.224 1.00 0.00 H new ATOM 0 HA SER A 131 -3.559 -0.080 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.582 0.860 14.367 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.143 -0.791 14.190 1.00 0.00 H new ATOM 0 HG SER A 131 -1.397 -0.234 14.759 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.198 1.928 11.590 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.396 3.117 11.325 1.00 0.00 C ATOM 2162 C ILE A 132 -1.680 4.187 12.374 1.00 0.00 C ATOM 2163 O ILE A 132 -1.100 5.272 12.359 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.655 3.684 9.914 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.144 3.986 9.717 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.153 2.713 8.854 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.479 4.524 8.344 1.00 0.00 C ATOM 0 H ILE A 132 -3.079 1.888 11.078 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.348 2.823 11.377 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.106 4.620 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.716 3.075 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.461 4.709 10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.342 3.126 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.082 2.555 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.675 1.761 8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.550 4.714 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.935 5.453 8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.194 3.793 7.587 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.592 3.856 13.274 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.842 4.638 14.468 1.00 0.00 C ATOM 2181 C GLN A 133 -3.271 3.681 15.564 1.00 0.00 C ATOM 2182 O GLN A 133 -4.088 2.790 15.323 1.00 0.00 O ATOM 2183 CB GLN A 133 -3.923 5.698 14.238 1.00 0.00 C ATOM 2184 CG GLN A 133 -3.990 6.729 15.355 1.00 0.00 C ATOM 2185 CD GLN A 133 -5.176 7.666 15.236 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -5.666 7.940 14.142 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.639 8.171 16.370 1.00 0.00 N ATOM 0 H GLN A 133 -3.183 3.029 13.193 1.00 0.00 H new ATOM 0 HA GLN A 133 -1.933 5.171 14.748 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -3.731 6.206 13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -4.892 5.207 14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -4.038 6.213 16.314 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -3.071 7.315 15.354 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -5.203 7.917 17.257 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -6.431 8.813 16.356 1.00 0.00 H new TER 2196 GLN A 133