USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1091 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 NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 151 ZNZN :(H bumps) USER MOD Set 1.1: A 87 SER OG : rot 180:sc= -0.0176 USER MOD Set 1.2: A 126 MET CE :methyl 159:sc= -1.53 (180deg=-2.6) USER MOD Set 2.1: A 11 TYR OH : rot 56:sc= -2.6! USER MOD Set 2.2: A 45 THR OG1 : rot 150:sc= -0.463 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-1.9!) USER MOD Single : A 6 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.95) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.9!) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0694 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.3) USER MOD Single : A 21 HIS : no HE2:sc= 0.0809 K(o=0.081,f=-0.57) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0.0199 K(o=0.02,f=-0.66) USER MOD Single : A 29 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.67) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot -92:sc= 0.0873 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.6 F(o=-2.1,f=-1.6) USER MOD Single : A 43 SER OG : rot -150:sc= -0.0658 USER MOD Single : A 44 THR OG1 : rot 11:sc= 0.0384 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 21:sc= 0.199 USER MOD Single : A 63 TYR OH : rot -86:sc= 0.621 USER MOD Single : A 65 CYS SG : rot 98:sc= 0.87 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0.157 K(o=0.16,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 123:sc= 0.982 USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= 0.439 (180deg=0.203) USER MOD Single : A 94 TYR OH : rot -75:sc= 0.0144 USER MOD Single : A 95 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.7) USER MOD Single : A 96 SER OG : rot 180:sc= -0.181 USER MOD Single : A 97 HIS : no HE2:sc= -0.743 X(o=-0.74,f=-0.52) USER MOD Single : A 102 THR OG1 : rot 54:sc= 0.12 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -50:sc= -4.32! USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.606 3.352 18.482 1.00 0.00 N ATOM 2 CA GLY A 1 3.018 2.930 18.689 1.00 0.00 C ATOM 3 C GLY A 1 3.775 3.864 19.615 1.00 0.00 C ATOM 4 O GLY A 1 4.397 4.823 19.158 1.00 0.00 O ATOM 0 H1 GLY A 1 1.133 2.682 17.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.110 3.366 19.396 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.586 4.303 18.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.035 1.922 19.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.526 2.888 17.726 1.00 0.00 H new ATOM 10 N PRO A 2 3.739 3.608 20.935 1.00 0.00 N ATOM 11 CA PRO A 2 4.434 4.443 21.920 1.00 0.00 C ATOM 12 C PRO A 2 5.904 4.648 21.573 1.00 0.00 C ATOM 13 O PRO A 2 6.465 5.719 21.806 1.00 0.00 O ATOM 14 CB PRO A 2 4.296 3.649 23.220 1.00 0.00 C ATOM 15 CG PRO A 2 3.074 2.821 23.032 1.00 0.00 C ATOM 16 CD PRO A 2 3.022 2.486 21.568 1.00 0.00 C ATOM 0 HA PRO A 2 4.013 5.447 21.972 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.172 3.026 23.398 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.196 4.312 24.080 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.119 1.916 23.638 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.182 3.367 23.339 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.504 1.531 21.357 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.995 2.411 21.209 1.00 0.00 H new ATOM 24 N TYR A 3 6.525 3.614 21.014 1.00 0.00 N ATOM 25 CA TYR A 3 7.931 3.681 20.634 1.00 0.00 C ATOM 26 C TYR A 3 8.299 2.528 19.704 1.00 0.00 C ATOM 27 O TYR A 3 8.593 2.737 18.527 1.00 0.00 O ATOM 28 CB TYR A 3 8.819 3.650 21.879 1.00 0.00 C ATOM 29 CG TYR A 3 10.278 3.926 21.590 1.00 0.00 C ATOM 30 CD1 TYR A 3 11.117 2.917 21.133 1.00 0.00 C ATOM 31 CD2 TYR A 3 10.815 5.193 21.774 1.00 0.00 C ATOM 32 CE1 TYR A 3 12.450 3.165 20.869 1.00 0.00 C ATOM 33 CE2 TYR A 3 12.148 5.449 21.511 1.00 0.00 C ATOM 34 CZ TYR A 3 12.961 4.431 21.059 1.00 0.00 C ATOM 35 OH TYR A 3 14.289 4.681 20.797 1.00 0.00 O ATOM 0 H TYR A 3 6.076 2.720 20.814 1.00 0.00 H new ATOM 0 HA TYR A 3 8.094 4.619 20.103 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.453 4.387 22.594 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.730 2.673 22.354 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.721 1.924 20.982 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.181 5.992 22.129 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.089 2.370 20.515 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.550 6.440 21.659 1.00 0.00 H new ATOM 0 HH TYR A 3 14.487 5.623 20.982 1.00 0.00 H new ATOM 45 N GLY A 4 8.279 1.313 20.241 1.00 0.00 N ATOM 46 CA GLY A 4 8.613 0.146 19.446 1.00 0.00 C ATOM 47 C GLY A 4 7.427 -0.375 18.659 1.00 0.00 C ATOM 48 O GLY A 4 6.767 -1.328 19.074 1.00 0.00 O ATOM 0 H GLY A 4 8.038 1.116 21.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.420 0.397 18.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.986 -0.642 20.101 1.00 0.00 H new ATOM 52 N HIS A 5 7.156 0.250 17.517 1.00 0.00 N ATOM 53 CA HIS A 5 6.042 -0.156 16.669 1.00 0.00 C ATOM 54 C HIS A 5 6.536 -0.592 15.294 1.00 0.00 C ATOM 55 O HIS A 5 7.681 -0.335 14.924 1.00 0.00 O ATOM 56 CB HIS A 5 5.042 0.992 16.523 1.00 0.00 C ATOM 57 CG HIS A 5 5.626 2.217 15.891 1.00 0.00 C ATOM 58 ND1 HIS A 5 6.074 2.252 14.588 1.00 0.00 N ATOM 59 CD2 HIS A 5 5.835 3.459 16.392 1.00 0.00 C ATOM 60 CE1 HIS A 5 6.534 3.460 14.314 1.00 0.00 C ATOM 61 NE2 HIS A 5 6.399 4.211 15.391 1.00 0.00 N ATOM 0 H HIS A 5 7.693 1.039 17.158 1.00 0.00 H new ATOM 0 HA HIS A 5 5.547 -1.003 17.143 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.196 0.653 15.925 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.653 1.251 17.507 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.602 3.794 17.392 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.950 3.779 13.370 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.670 5.191 15.467 1.00 0.00 H new ATOM 70 N GLN A 6 5.664 -1.253 14.540 1.00 0.00 N ATOM 71 CA GLN A 6 6.011 -1.725 13.204 1.00 0.00 C ATOM 72 C GLN A 6 4.923 -1.357 12.199 1.00 0.00 C ATOM 73 O GLN A 6 4.067 -2.178 11.866 1.00 0.00 O ATOM 74 CB GLN A 6 6.227 -3.241 13.215 1.00 0.00 C ATOM 75 CG GLN A 6 7.666 -3.650 12.949 1.00 0.00 C ATOM 76 CD GLN A 6 7.786 -5.090 12.486 1.00 0.00 C ATOM 77 OE1 GLN A 6 6.941 -5.587 11.741 1.00 0.00 O ATOM 78 NE2 GLN A 6 8.839 -5.768 12.928 1.00 0.00 N ATOM 0 H GLN A 6 4.712 -1.474 14.831 1.00 0.00 H new ATOM 0 HA GLN A 6 6.938 -1.238 12.901 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.918 -3.637 14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.583 -3.697 12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.093 -2.992 12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.253 -3.514 13.858 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.515 -5.316 13.544 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.972 -6.741 12.651 1.00 0.00 H new ATOM 87 N SER A 7 4.961 -0.119 11.719 1.00 0.00 N ATOM 88 CA SER A 7 3.980 0.358 10.753 1.00 0.00 C ATOM 89 C SER A 7 4.656 0.778 9.451 1.00 0.00 C ATOM 90 O SER A 7 5.783 1.272 9.457 1.00 0.00 O ATOM 91 CB SER A 7 3.191 1.535 11.333 1.00 0.00 C ATOM 92 OG SER A 7 2.197 1.979 10.427 1.00 0.00 O ATOM 0 H SER A 7 5.662 0.573 11.984 1.00 0.00 H new ATOM 0 HA SER A 7 3.293 -0.461 10.538 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.724 1.237 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.871 2.355 11.562 1.00 0.00 H new ATOM 0 HG SER A 7 1.706 2.730 10.822 1.00 0.00 H new ATOM 98 N GLY A 8 3.960 0.576 8.337 1.00 0.00 N ATOM 99 CA GLY A 8 4.511 0.937 7.044 1.00 0.00 C ATOM 100 C GLY A 8 4.133 -0.050 5.958 1.00 0.00 C ATOM 101 O GLY A 8 3.821 0.341 4.834 1.00 0.00 O ATOM 0 H GLY A 8 3.025 0.169 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.159 1.930 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.597 0.993 7.118 1.00 0.00 H new ATOM 105 N ALA A 9 4.164 -1.336 6.294 1.00 0.00 N ATOM 106 CA ALA A 9 3.823 -2.384 5.340 1.00 0.00 C ATOM 107 C ALA A 9 2.581 -3.149 5.787 1.00 0.00 C ATOM 108 O ALA A 9 2.021 -2.877 6.848 1.00 0.00 O ATOM 109 CB ALA A 9 4.996 -3.336 5.160 1.00 0.00 C ATOM 0 H ALA A 9 4.422 -1.677 7.220 1.00 0.00 H new ATOM 0 HA ALA A 9 3.603 -1.913 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.727 -4.114 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.859 -2.784 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.243 -3.794 6.118 1.00 0.00 H new ATOM 115 N VAL A 10 2.156 -4.105 4.968 1.00 0.00 N ATOM 116 CA VAL A 10 0.979 -4.909 5.275 1.00 0.00 C ATOM 117 C VAL A 10 1.358 -6.370 5.502 1.00 0.00 C ATOM 118 O VAL A 10 1.681 -7.089 4.556 1.00 0.00 O ATOM 119 CB VAL A 10 -0.065 -4.830 4.144 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.321 -5.605 4.513 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.399 -3.381 3.826 1.00 0.00 C ATOM 0 H VAL A 10 2.610 -4.342 4.086 1.00 0.00 H new ATOM 0 HA VAL A 10 0.545 -4.502 6.188 1.00 0.00 H new ATOM 0 HB VAL A 10 0.363 -5.286 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.044 -5.535 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.066 -6.651 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.754 -5.185 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.138 -3.345 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.804 -2.897 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.505 -2.860 3.510 1.00 0.00 H new ATOM 131 N TYR A 11 1.315 -6.806 6.758 1.00 0.00 N ATOM 132 CA TYR A 11 1.654 -8.185 7.094 1.00 0.00 C ATOM 133 C TYR A 11 0.391 -9.037 7.197 1.00 0.00 C ATOM 134 O TYR A 11 -0.453 -8.808 8.063 1.00 0.00 O ATOM 135 CB TYR A 11 2.419 -8.216 8.421 1.00 0.00 C ATOM 136 CG TYR A 11 2.777 -9.606 8.904 1.00 0.00 C ATOM 137 CD1 TYR A 11 1.798 -10.482 9.360 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.098 -10.037 8.914 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.126 -11.748 9.806 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.432 -11.301 9.360 1.00 0.00 C ATOM 141 CZ TYR A 11 3.444 -12.152 9.804 1.00 0.00 C ATOM 142 OH TYR A 11 3.775 -13.411 10.249 1.00 0.00 O ATOM 0 H TYR A 11 1.050 -6.228 7.556 1.00 0.00 H new ATOM 0 HA TYR A 11 2.283 -8.597 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.335 -7.635 8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.818 -7.723 9.185 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.765 -10.168 9.366 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.876 -9.373 8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.354 -12.418 10.154 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.464 -11.621 9.361 1.00 0.00 H new ATOM 0 HH TYR A 11 3.265 -14.080 9.746 1.00 0.00 H new ATOM 152 N VAL A 12 0.272 -10.023 6.312 1.00 0.00 N ATOM 153 CA VAL A 12 -0.885 -10.910 6.311 1.00 0.00 C ATOM 154 C VAL A 12 -0.477 -12.371 6.504 1.00 0.00 C ATOM 155 O VAL A 12 0.138 -12.974 5.626 1.00 0.00 O ATOM 156 CB VAL A 12 -1.704 -10.765 5.014 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.983 -11.582 5.095 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.016 -9.299 4.752 1.00 0.00 C ATOM 0 H VAL A 12 0.961 -10.227 5.588 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.509 -10.612 7.154 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.112 -11.147 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.548 -11.467 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.735 -12.633 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.585 -11.233 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.595 -9.209 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.592 -8.895 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.085 -8.741 4.650 1.00 0.00 H new ATOM 168 N GLY A 13 -0.835 -12.935 7.654 1.00 0.00 N ATOM 169 CA GLY A 13 -0.511 -14.324 7.940 1.00 0.00 C ATOM 170 C GLY A 13 0.954 -14.657 7.718 1.00 0.00 C ATOM 171 O GLY A 13 1.837 -14.001 8.269 1.00 0.00 O ATOM 0 H GLY A 13 -1.345 -12.455 8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.774 -14.546 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.123 -14.970 7.310 1.00 0.00 H new ATOM 175 N ASN A 14 1.209 -15.688 6.912 1.00 0.00 N ATOM 176 CA ASN A 14 2.575 -16.118 6.621 1.00 0.00 C ATOM 177 C ASN A 14 3.141 -15.400 5.396 1.00 0.00 C ATOM 178 O ASN A 14 4.133 -15.835 4.816 1.00 0.00 O ATOM 179 CB ASN A 14 2.617 -17.631 6.400 1.00 0.00 C ATOM 180 CG ASN A 14 1.590 -18.097 5.386 1.00 0.00 C ATOM 181 OD1 ASN A 14 1.465 -17.525 4.305 1.00 0.00 O ATOM 182 ND2 ASN A 14 0.848 -19.142 5.735 1.00 0.00 N ATOM 0 H ASN A 14 0.487 -16.240 6.449 1.00 0.00 H new ATOM 0 HA ASN A 14 3.193 -15.859 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.613 -17.918 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.443 -18.139 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.140 -19.501 5.095 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.987 -19.585 6.643 1.00 0.00 H new ATOM 189 N TYR A 15 2.510 -14.293 5.018 1.00 0.00 N ATOM 190 CA TYR A 15 2.952 -13.500 3.877 1.00 0.00 C ATOM 191 C TYR A 15 3.052 -12.033 4.284 1.00 0.00 C ATOM 192 O TYR A 15 2.255 -11.555 5.091 1.00 0.00 O ATOM 193 CB TYR A 15 1.965 -13.629 2.713 1.00 0.00 C ATOM 194 CG TYR A 15 2.071 -14.919 1.925 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.270 -15.613 1.823 1.00 0.00 C ATOM 196 CD2 TYR A 15 0.959 -15.437 1.280 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.351 -16.787 1.100 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.032 -16.609 0.557 1.00 0.00 C ATOM 199 CZ TYR A 15 2.230 -17.281 0.469 1.00 0.00 C ATOM 200 OH TYR A 15 2.309 -18.451 -0.250 1.00 0.00 O ATOM 0 H TYR A 15 1.685 -13.923 5.490 1.00 0.00 H new ATOM 0 HA TYR A 15 3.927 -13.868 3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.951 -13.542 3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.117 -12.791 2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.151 -15.229 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.017 -14.913 1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.290 -17.316 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.154 -16.997 0.063 1.00 0.00 H new ATOM 0 HH TYR A 15 1.431 -18.661 -0.631 1.00 0.00 H new ATOM 210 N LYS A 16 4.017 -11.319 3.727 1.00 0.00 N ATOM 211 CA LYS A 16 4.189 -9.907 4.043 1.00 0.00 C ATOM 212 C LYS A 16 4.471 -9.105 2.782 1.00 0.00 C ATOM 213 O LYS A 16 5.506 -9.290 2.140 1.00 0.00 O ATOM 214 CB LYS A 16 5.328 -9.721 5.048 1.00 0.00 C ATOM 215 CG LYS A 16 5.377 -8.333 5.662 1.00 0.00 C ATOM 216 CD LYS A 16 6.464 -7.479 5.028 1.00 0.00 C ATOM 217 CE LYS A 16 6.870 -6.330 5.936 1.00 0.00 C ATOM 218 NZ LYS A 16 8.019 -6.692 6.811 1.00 0.00 N ATOM 0 H LYS A 16 4.691 -11.690 3.057 1.00 0.00 H new ATOM 0 HA LYS A 16 3.263 -9.542 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.223 -10.458 5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.277 -9.923 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.411 -7.845 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.556 -8.415 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.335 -8.098 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.109 -7.084 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.135 -5.464 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.021 -6.038 6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.265 -5.881 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.758 -7.502 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.838 -6.946 6.222 1.00 0.00 H new ATOM 232 N VAL A 17 3.551 -8.212 2.421 1.00 0.00 N ATOM 233 CA VAL A 17 3.733 -7.400 1.226 1.00 0.00 C ATOM 234 C VAL A 17 4.207 -5.993 1.586 1.00 0.00 C ATOM 235 O VAL A 17 3.542 -5.267 2.327 1.00 0.00 O ATOM 236 CB VAL A 17 2.439 -7.337 0.359 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.534 -8.527 0.647 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.670 -6.036 0.561 1.00 0.00 C ATOM 0 H VAL A 17 2.686 -8.036 2.932 1.00 0.00 H new ATOM 0 HA VAL A 17 4.505 -7.883 0.627 1.00 0.00 H new ATOM 0 HB VAL A 17 2.758 -7.374 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.638 -8.460 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.064 -9.451 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.251 -8.522 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.777 -6.040 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.380 -5.944 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.303 -5.193 0.284 1.00 0.00 H new ATOM 248 N VAL A 18 5.366 -5.623 1.054 1.00 0.00 N ATOM 249 CA VAL A 18 5.948 -4.312 1.303 1.00 0.00 C ATOM 250 C VAL A 18 6.503 -3.710 0.015 1.00 0.00 C ATOM 251 O VAL A 18 6.752 -4.427 -0.956 1.00 0.00 O ATOM 252 CB VAL A 18 7.070 -4.388 2.360 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.217 -5.255 1.868 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.562 -2.995 2.721 1.00 0.00 C ATOM 0 H VAL A 18 5.924 -6.219 0.443 1.00 0.00 H new ATOM 0 HA VAL A 18 5.152 -3.672 1.683 1.00 0.00 H new ATOM 0 HB VAL A 18 6.660 -4.848 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.996 -5.294 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.852 -6.263 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.626 -4.831 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.353 -3.070 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.951 -2.504 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.736 -2.411 3.126 1.00 0.00 H new ATOM 264 N ASN A 19 6.709 -2.397 0.011 1.00 0.00 N ATOM 265 CA ASN A 19 7.252 -1.718 -1.160 1.00 0.00 C ATOM 266 C ASN A 19 8.620 -2.294 -1.517 1.00 0.00 C ATOM 267 O ASN A 19 9.413 -2.619 -0.634 1.00 0.00 O ATOM 268 CB ASN A 19 7.366 -0.214 -0.899 1.00 0.00 C ATOM 269 CG ASN A 19 6.924 0.613 -2.091 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.798 0.479 -2.571 1.00 0.00 O ATOM 271 ND2 ASN A 19 7.811 1.474 -2.575 1.00 0.00 N ATOM 0 H ASN A 19 6.509 -1.784 0.802 1.00 0.00 H new ATOM 0 HA ASN A 19 6.574 -1.876 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.759 0.049 -0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.399 0.032 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.571 2.058 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.733 1.552 -2.146 1.00 0.00 H new ATOM 278 N ARG A 20 8.888 -2.433 -2.811 1.00 0.00 N ATOM 279 CA ARG A 20 10.158 -2.986 -3.269 1.00 0.00 C ATOM 280 C ARG A 20 11.339 -2.187 -2.723 1.00 0.00 C ATOM 281 O ARG A 20 12.300 -2.755 -2.205 1.00 0.00 O ATOM 282 CB ARG A 20 10.208 -3.015 -4.799 1.00 0.00 C ATOM 283 CG ARG A 20 10.084 -1.645 -5.443 1.00 0.00 C ATOM 284 CD ARG A 20 11.448 -1.020 -5.686 1.00 0.00 C ATOM 285 NE ARG A 20 11.958 -1.322 -7.022 1.00 0.00 N ATOM 286 CZ ARG A 20 13.250 -1.307 -7.346 1.00 0.00 C ATOM 287 NH1 ARG A 20 14.168 -0.997 -6.437 1.00 0.00 N ATOM 288 NH2 ARG A 20 13.625 -1.600 -8.584 1.00 0.00 N ATOM 0 H ARG A 20 8.246 -2.172 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 20 10.232 -4.006 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.147 -3.470 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.405 -3.653 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.549 -1.733 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.492 -0.992 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.379 0.060 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.152 -1.384 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 20 11.284 -1.558 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.885 -0.769 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.156 -0.988 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.924 -1.836 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.614 -1.589 -8.833 1.00 0.00 H new ATOM 302 N HIS A 21 11.262 -0.868 -2.830 1.00 0.00 N ATOM 303 CA HIS A 21 12.329 -0.010 -2.337 1.00 0.00 C ATOM 304 C HIS A 21 12.418 -0.059 -0.813 1.00 0.00 C ATOM 305 O HIS A 21 13.360 0.472 -0.223 1.00 0.00 O ATOM 306 CB HIS A 21 12.111 1.432 -2.800 1.00 0.00 C ATOM 307 CG HIS A 21 13.382 2.150 -3.130 1.00 0.00 C ATOM 308 ND1 HIS A 21 14.596 1.835 -2.555 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.628 3.171 -3.984 1.00 0.00 C ATOM 310 CE1 HIS A 21 15.532 2.633 -3.039 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.970 3.452 -3.908 1.00 0.00 N ATOM 0 H HIS A 21 10.477 -0.371 -3.251 1.00 0.00 H new ATOM 0 HA HIS A 21 13.269 -0.379 -2.747 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.465 1.430 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.585 1.981 -2.019 1.00 0.00 H new ATOM 0 HD1 HIS A 21 14.748 1.100 -1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 21 12.903 3.672 -4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 21 16.578 2.617 -2.769 1.00 0.00 H new ATOM 320 N LEU A 22 11.430 -0.685 -0.173 1.00 0.00 N ATOM 321 CA LEU A 22 11.409 -0.778 1.281 1.00 0.00 C ATOM 322 C LEU A 22 11.538 -2.221 1.775 1.00 0.00 C ATOM 323 O LEU A 22 11.496 -2.462 2.982 1.00 0.00 O ATOM 324 CB LEU A 22 10.122 -0.160 1.828 1.00 0.00 C ATOM 325 CG LEU A 22 10.283 0.619 3.137 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.178 2.115 2.887 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.245 0.174 4.158 1.00 0.00 C ATOM 0 H LEU A 22 10.640 -1.132 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 22 12.273 -0.226 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.709 0.509 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.393 -0.955 1.983 1.00 0.00 H new ATOM 0 HG LEU A 22 11.273 0.407 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.295 2.650 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.961 2.424 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.203 2.345 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.376 0.739 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.245 0.353 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.369 -0.889 4.363 1.00 0.00 H new ATOM 339 N ALA A 23 11.693 -3.186 0.864 1.00 0.00 N ATOM 340 CA ALA A 23 11.820 -4.578 1.282 1.00 0.00 C ATOM 341 C ALA A 23 13.275 -4.930 1.573 1.00 0.00 C ATOM 342 O ALA A 23 14.167 -4.634 0.779 1.00 0.00 O ATOM 343 CB ALA A 23 11.239 -5.507 0.228 1.00 0.00 C ATOM 0 H ALA A 23 11.733 -3.032 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 23 11.253 -4.709 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.343 -6.541 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.184 -5.277 0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.774 -5.370 -0.712 1.00 0.00 H new ATOM 349 N THR A 24 13.506 -5.564 2.720 1.00 0.00 N ATOM 350 CA THR A 24 14.852 -5.955 3.120 1.00 0.00 C ATOM 351 C THR A 24 15.325 -7.159 2.315 1.00 0.00 C ATOM 352 O THR A 24 14.521 -7.856 1.697 1.00 0.00 O ATOM 353 CB THR A 24 14.892 -6.277 4.614 1.00 0.00 C ATOM 354 OG1 THR A 24 14.146 -7.447 4.895 1.00 0.00 O ATOM 355 CG2 THR A 24 14.343 -5.164 5.481 1.00 0.00 C ATOM 0 H THR A 24 12.778 -5.817 3.388 1.00 0.00 H new ATOM 0 HA THR A 24 15.522 -5.119 2.921 1.00 0.00 H new ATOM 0 HB THR A 24 15.947 -6.415 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.185 -7.637 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.401 -5.457 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.929 -4.258 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.303 -4.974 5.214 1.00 0.00 H new ATOM 363 N HIS A 25 16.631 -7.403 2.328 1.00 0.00 N ATOM 364 CA HIS A 25 17.207 -8.521 1.588 1.00 0.00 C ATOM 365 C HIS A 25 16.518 -9.829 1.958 1.00 0.00 C ATOM 366 O HIS A 25 16.424 -10.744 1.140 1.00 0.00 O ATOM 367 CB HIS A 25 18.707 -8.626 1.865 1.00 0.00 C ATOM 368 CG HIS A 25 19.038 -8.785 3.316 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.154 -7.719 4.182 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.279 -9.894 4.054 1.00 0.00 C ATOM 371 CE1 HIS A 25 19.452 -8.165 5.390 1.00 0.00 C ATOM 372 NE2 HIS A 25 19.532 -9.482 5.338 1.00 0.00 N ATOM 0 H HIS A 25 17.311 -6.842 2.842 1.00 0.00 H new ATOM 0 HA HIS A 25 17.054 -8.337 0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 25 19.111 -9.475 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.202 -7.733 1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 25 19.273 -10.914 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 25 19.604 -7.556 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 25 19.747 -10.094 6.125 1.00 0.00 H new ATOM 381 N VAL A 26 16.030 -9.908 3.189 1.00 0.00 N ATOM 382 CA VAL A 26 15.342 -11.102 3.656 1.00 0.00 C ATOM 383 C VAL A 26 14.004 -11.272 2.940 1.00 0.00 C ATOM 384 O VAL A 26 13.566 -12.395 2.684 1.00 0.00 O ATOM 385 CB VAL A 26 15.096 -11.053 5.176 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.512 -12.370 5.666 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.384 -10.724 5.917 1.00 0.00 C ATOM 0 H VAL A 26 16.098 -9.161 3.880 1.00 0.00 H new ATOM 0 HA VAL A 26 15.987 -11.951 3.430 1.00 0.00 H new ATOM 0 HB VAL A 26 14.374 -10.263 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.345 -12.316 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.565 -12.558 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.207 -13.180 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.189 -10.694 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.131 -11.489 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.755 -9.753 5.588 1.00 0.00 H new ATOM 397 N ASP A 27 13.365 -10.153 2.608 1.00 0.00 N ATOM 398 CA ASP A 27 12.091 -10.185 1.912 1.00 0.00 C ATOM 399 C ASP A 27 12.291 -10.713 0.506 1.00 0.00 C ATOM 400 O ASP A 27 11.523 -11.546 0.025 1.00 0.00 O ATOM 401 CB ASP A 27 11.470 -8.786 1.865 1.00 0.00 C ATOM 402 CG ASP A 27 10.614 -8.492 3.082 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.860 -9.392 3.510 1.00 0.00 O ATOM 404 OD2 ASP A 27 10.697 -7.362 3.608 1.00 0.00 O ATOM 0 H ASP A 27 13.712 -9.216 2.812 1.00 0.00 H new ATOM 0 HA ASP A 27 11.412 -10.845 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.263 -8.042 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.862 -8.691 0.965 1.00 0.00 H new ATOM 409 N TRP A 28 13.341 -10.225 -0.145 1.00 0.00 N ATOM 410 CA TRP A 28 13.656 -10.651 -1.495 1.00 0.00 C ATOM 411 C TRP A 28 14.241 -12.059 -1.501 1.00 0.00 C ATOM 412 O TRP A 28 14.071 -12.809 -2.463 1.00 0.00 O ATOM 413 CB TRP A 28 14.613 -9.666 -2.166 1.00 0.00 C ATOM 414 CG TRP A 28 14.074 -8.270 -2.206 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.969 -7.412 -1.155 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.555 -7.573 -3.344 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.430 -6.221 -1.566 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.161 -6.295 -2.902 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.385 -7.899 -4.693 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.609 -5.347 -3.752 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.835 -6.954 -5.541 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.452 -5.691 -5.068 1.00 0.00 C ATOM 0 H TRP A 28 13.985 -9.536 0.243 1.00 0.00 H new ATOM 0 HA TRP A 28 12.728 -10.668 -2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.563 -9.669 -1.632 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.818 -10.001 -3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.268 -7.637 -0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.258 -5.411 -0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.677 -8.870 -5.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.314 -4.374 -3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.698 -7.193 -6.585 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.025 -4.975 -5.755 1.00 0.00 H new ATOM 433 N GLN A 29 14.926 -12.417 -0.419 1.00 0.00 N ATOM 434 CA GLN A 29 15.530 -13.739 -0.299 1.00 0.00 C ATOM 435 C GLN A 29 14.459 -14.822 -0.363 1.00 0.00 C ATOM 436 O GLN A 29 14.624 -15.834 -1.044 1.00 0.00 O ATOM 437 CB GLN A 29 16.312 -13.853 1.012 1.00 0.00 C ATOM 438 CG GLN A 29 17.779 -14.201 0.819 1.00 0.00 C ATOM 439 CD GLN A 29 18.485 -13.251 -0.128 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.640 -13.540 -1.314 1.00 0.00 O ATOM 441 NE2 GLN A 29 18.920 -12.110 0.394 1.00 0.00 N ATOM 0 H GLN A 29 15.076 -11.810 0.387 1.00 0.00 H new ATOM 0 HA GLN A 29 16.219 -13.877 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.239 -12.909 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.846 -14.614 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.282 -14.185 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.860 -15.218 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.770 -11.912 1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.405 -11.432 -0.194 1.00 0.00 H new ATOM 450 N ASN A 30 13.361 -14.598 0.349 1.00 0.00 N ATOM 451 CA ASN A 30 12.256 -15.549 0.374 1.00 0.00 C ATOM 452 C ASN A 30 11.004 -14.933 -0.242 1.00 0.00 C ATOM 453 O ASN A 30 9.885 -15.218 0.186 1.00 0.00 O ATOM 454 CB ASN A 30 11.972 -15.995 1.811 1.00 0.00 C ATOM 455 CG ASN A 30 12.035 -17.502 1.972 1.00 0.00 C ATOM 456 OD1 ASN A 30 11.297 -18.238 1.318 1.00 0.00 O ATOM 457 ND2 ASN A 30 12.921 -17.967 2.845 1.00 0.00 N ATOM 0 H ASN A 30 13.212 -13.765 0.918 1.00 0.00 H new ATOM 0 HA ASN A 30 12.539 -16.421 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.694 -15.530 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.985 -15.641 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.010 -18.972 2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.513 -17.319 3.365 1.00 0.00 H new ATOM 464 N CYS A 31 11.201 -14.083 -1.246 1.00 0.00 N ATOM 465 CA CYS A 31 10.088 -13.425 -1.918 1.00 0.00 C ATOM 466 C CYS A 31 9.322 -14.402 -2.799 1.00 0.00 C ATOM 467 O CYS A 31 9.888 -15.023 -3.697 1.00 0.00 O ATOM 468 CB CYS A 31 10.586 -12.254 -2.764 1.00 0.00 C ATOM 469 SG CYS A 31 11.683 -12.734 -4.119 1.00 0.00 S ATOM 0 H CYS A 31 12.121 -13.835 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 31 9.415 -13.050 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.726 -11.727 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.111 -11.551 -2.118 1.00 0.00 H new ATOM 0 HG CYS A 31 12.918 -12.689 -3.714 1.00 0.00 H new ATOM 475 N VAL A 32 8.028 -14.523 -2.538 1.00 0.00 N ATOM 476 CA VAL A 32 7.174 -15.411 -3.308 1.00 0.00 C ATOM 477 C VAL A 32 6.649 -14.706 -4.556 1.00 0.00 C ATOM 478 O VAL A 32 6.569 -15.305 -5.629 1.00 0.00 O ATOM 479 CB VAL A 32 5.981 -15.916 -2.469 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.446 -16.920 -1.425 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.260 -14.756 -1.802 1.00 0.00 C ATOM 0 H VAL A 32 7.547 -14.015 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 32 7.781 -16.267 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 32 5.282 -16.414 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.590 -17.264 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.913 -17.771 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.168 -16.446 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.423 -15.136 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.951 -14.227 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.888 -14.072 -2.565 1.00 0.00 H new ATOM 491 N TRP A 33 6.290 -13.431 -4.411 1.00 0.00 N ATOM 492 CA TRP A 33 5.772 -12.652 -5.537 1.00 0.00 C ATOM 493 C TRP A 33 6.323 -11.223 -5.522 1.00 0.00 C ATOM 494 O TRP A 33 6.636 -10.681 -4.463 1.00 0.00 O ATOM 495 CB TRP A 33 4.237 -12.657 -5.502 1.00 0.00 C ATOM 496 CG TRP A 33 3.590 -11.458 -6.131 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.056 -11.370 -7.385 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.404 -10.178 -5.526 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.550 -10.109 -7.593 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.754 -9.358 -6.464 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.728 -9.649 -4.277 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.423 -8.032 -6.187 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.400 -8.336 -4.004 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.754 -7.543 -4.957 1.00 0.00 C ATOM 0 H TRP A 33 6.347 -12.918 -3.532 1.00 0.00 H new ATOM 0 HA TRP A 33 6.104 -13.113 -6.467 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.879 -13.553 -6.008 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.911 -12.726 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.034 -12.173 -8.107 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.097 -9.785 -8.447 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.227 -10.256 -3.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 1.923 -7.415 -6.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.646 -7.915 -3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.511 -6.519 -4.714 1.00 0.00 H new ATOM 515 N GLU A 34 6.439 -10.621 -6.706 1.00 0.00 N ATOM 516 CA GLU A 34 6.953 -9.255 -6.827 1.00 0.00 C ATOM 517 C GLU A 34 6.435 -8.580 -8.098 1.00 0.00 C ATOM 518 O GLU A 34 6.742 -9.014 -9.209 1.00 0.00 O ATOM 519 CB GLU A 34 8.486 -9.251 -6.838 1.00 0.00 C ATOM 520 CG GLU A 34 9.120 -10.348 -5.997 1.00 0.00 C ATOM 521 CD GLU A 34 10.622 -10.432 -6.184 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.063 -11.051 -7.175 1.00 0.00 O ATOM 523 OE2 GLU A 34 11.357 -9.875 -5.341 1.00 0.00 O ATOM 0 H GLU A 34 6.185 -11.056 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 34 6.598 -8.695 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.831 -9.353 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.838 -8.284 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.898 -10.168 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.671 -11.306 -6.258 1.00 0.00 H new ATOM 530 N ASP A 35 5.655 -7.513 -7.931 1.00 0.00 N ATOM 531 CA ASP A 35 5.106 -6.777 -9.069 1.00 0.00 C ATOM 532 C ASP A 35 5.805 -5.430 -9.240 1.00 0.00 C ATOM 533 O ASP A 35 5.635 -4.523 -8.424 1.00 0.00 O ATOM 534 CB ASP A 35 3.604 -6.560 -8.894 1.00 0.00 C ATOM 535 CG ASP A 35 2.784 -7.697 -9.470 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.321 -8.452 -10.309 1.00 0.00 O ATOM 537 OD2 ASP A 35 1.604 -7.833 -9.083 1.00 0.00 O ATOM 0 H ASP A 35 5.389 -7.139 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 35 5.278 -7.374 -9.964 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.376 -6.453 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.316 -5.627 -9.378 1.00 0.00 H new ATOM 542 N TYR A 36 6.590 -5.306 -10.305 1.00 0.00 N ATOM 543 CA TYR A 36 7.316 -4.071 -10.582 1.00 0.00 C ATOM 544 C TYR A 36 6.361 -2.918 -10.883 1.00 0.00 C ATOM 545 O TYR A 36 6.672 -1.757 -10.614 1.00 0.00 O ATOM 546 CB TYR A 36 8.273 -4.272 -11.758 1.00 0.00 C ATOM 547 CG TYR A 36 9.159 -3.077 -12.031 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.398 -2.952 -11.416 1.00 0.00 C ATOM 549 CD2 TYR A 36 8.754 -2.075 -12.904 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.210 -1.861 -11.663 1.00 0.00 C ATOM 551 CE2 TYR A 36 9.562 -0.981 -13.155 1.00 0.00 C ATOM 552 CZ TYR A 36 10.788 -0.879 -12.533 1.00 0.00 C ATOM 553 OH TYR A 36 11.593 0.208 -12.782 1.00 0.00 O ATOM 0 H TYR A 36 6.740 -6.046 -10.991 1.00 0.00 H new ATOM 0 HA TYR A 36 7.888 -3.815 -9.690 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.901 -5.141 -11.560 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.693 -4.495 -12.653 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.732 -3.720 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.794 -2.151 -13.394 1.00 0.00 H new ATOM 0 HE1 TYR A 36 12.171 -1.779 -11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 36 9.234 -0.209 -13.836 1.00 0.00 H new ATOM 0 HH TYR A 36 11.148 0.806 -13.419 1.00 0.00 H new ATOM 563 N ASN A 37 5.201 -3.240 -11.446 1.00 0.00 N ATOM 564 CA ASN A 37 4.210 -2.228 -11.786 1.00 0.00 C ATOM 565 C ASN A 37 3.691 -1.525 -10.536 1.00 0.00 C ATOM 566 O ASN A 37 3.279 -0.369 -10.594 1.00 0.00 O ATOM 567 CB ASN A 37 3.048 -2.862 -12.554 1.00 0.00 C ATOM 568 CG ASN A 37 3.084 -2.531 -14.033 1.00 0.00 C ATOM 569 OD1 ASN A 37 3.243 -1.250 -14.350 1.00 0.00 O flip ATOM 570 ND2 ASN A 37 2.971 -3.415 -14.882 1.00 0.00 N flip ATOM 0 H ASN A 37 4.925 -4.195 -11.676 1.00 0.00 H new ATOM 0 HA ASN A 37 4.692 -1.483 -12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.079 -3.944 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.105 -2.517 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.851 -4.386 -14.594 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.998 -3.176 -15.873 1.00 0.00 H new ATOM 577 N ARG A 38 3.713 -2.222 -9.407 1.00 0.00 N ATOM 578 CA ARG A 38 3.243 -1.641 -8.153 1.00 0.00 C ATOM 579 C ARG A 38 4.364 -1.554 -7.120 1.00 0.00 C ATOM 580 O ARG A 38 4.123 -1.204 -5.964 1.00 0.00 O ATOM 581 CB ARG A 38 2.069 -2.446 -7.589 1.00 0.00 C ATOM 582 CG ARG A 38 2.291 -3.951 -7.592 1.00 0.00 C ATOM 583 CD ARG A 38 1.138 -4.683 -8.262 1.00 0.00 C ATOM 584 NE ARG A 38 1.179 -4.559 -9.720 1.00 0.00 N ATOM 585 CZ ARG A 38 0.118 -4.714 -10.509 1.00 0.00 C ATOM 586 NH1 ARG A 38 -1.074 -4.983 -9.989 1.00 0.00 N ATOM 587 NH2 ARG A 38 0.247 -4.596 -11.823 1.00 0.00 N ATOM 0 H ARG A 38 4.048 -3.182 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 38 2.905 -0.628 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.876 -2.120 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.175 -2.220 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.221 -4.182 -8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.402 -4.306 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.170 -5.737 -7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.193 -4.286 -7.891 1.00 0.00 H new ATOM 0 HE ARG A 38 2.074 -4.341 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.181 -5.072 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.882 -5.100 -10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.159 -4.387 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.566 -4.715 -12.428 1.00 0.00 H new ATOM 601 N ASP A 39 5.591 -1.873 -7.535 1.00 0.00 N ATOM 602 CA ASP A 39 6.739 -1.826 -6.633 1.00 0.00 C ATOM 603 C ASP A 39 6.417 -2.524 -5.314 1.00 0.00 C ATOM 604 O ASP A 39 6.709 -2.006 -4.235 1.00 0.00 O ATOM 605 CB ASP A 39 7.148 -0.375 -6.370 1.00 0.00 C ATOM 606 CG ASP A 39 7.909 0.232 -7.533 1.00 0.00 C ATOM 607 OD1 ASP A 39 8.840 -0.426 -8.041 1.00 0.00 O ATOM 608 OD2 ASP A 39 7.573 1.366 -7.934 1.00 0.00 O ATOM 0 H ASP A 39 5.813 -2.165 -8.487 1.00 0.00 H new ATOM 0 HA ASP A 39 7.569 -2.348 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.257 0.221 -6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.766 -0.332 -5.473 1.00 0.00 H new ATOM 613 N LEU A 40 5.800 -3.696 -5.411 1.00 0.00 N ATOM 614 CA LEU A 40 5.421 -4.461 -4.230 1.00 0.00 C ATOM 615 C LEU A 40 5.821 -5.927 -4.372 1.00 0.00 C ATOM 616 O LEU A 40 5.882 -6.461 -5.479 1.00 0.00 O ATOM 617 CB LEU A 40 3.911 -4.346 -4.007 1.00 0.00 C ATOM 618 CG LEU A 40 3.381 -5.024 -2.743 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.742 -4.211 -1.509 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.873 -5.217 -2.836 1.00 0.00 C ATOM 0 H LEU A 40 5.552 -4.137 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 40 5.949 -4.051 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.646 -3.289 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.400 -4.773 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 40 3.849 -6.005 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.356 -4.709 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.826 -4.124 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.303 -3.217 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.511 -5.701 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.388 -4.247 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.639 -5.841 -3.698 1.00 0.00 H new ATOM 632 N LEU A 41 6.086 -6.573 -3.240 1.00 0.00 N ATOM 633 CA LEU A 41 6.472 -7.984 -3.232 1.00 0.00 C ATOM 634 C LEU A 41 5.989 -8.684 -1.970 1.00 0.00 C ATOM 635 O LEU A 41 5.767 -8.049 -0.943 1.00 0.00 O ATOM 636 CB LEU A 41 7.997 -8.161 -3.394 1.00 0.00 C ATOM 637 CG LEU A 41 8.927 -7.562 -2.311 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.776 -6.452 -2.907 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.170 -7.045 -1.096 1.00 0.00 C ATOM 0 H LEU A 41 6.041 -6.144 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 41 5.987 -8.449 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.203 -9.230 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.282 -7.727 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 41 9.567 -8.373 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.426 -6.038 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.384 -6.854 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.128 -5.667 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.877 -6.638 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.476 -6.263 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.614 -7.863 -0.638 1.00 0.00 H new ATOM 651 N VAL A 42 5.825 -9.999 -2.053 1.00 0.00 N ATOM 652 CA VAL A 42 5.373 -10.777 -0.909 1.00 0.00 C ATOM 653 C VAL A 42 6.433 -11.787 -0.506 1.00 0.00 C ATOM 654 O VAL A 42 6.967 -12.513 -1.346 1.00 0.00 O ATOM 655 CB VAL A 42 4.038 -11.521 -1.188 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.754 -12.587 -0.128 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.880 -10.538 -1.261 1.00 0.00 C ATOM 0 H VAL A 42 5.998 -10.546 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 42 5.200 -10.070 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 42 4.141 -12.021 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.812 -13.086 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.561 -13.320 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.686 -12.116 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.955 -11.080 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.795 -10.005 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.059 -9.824 -2.064 1.00 0.00 H new ATOM 667 N SER A 43 6.710 -11.831 0.789 1.00 0.00 N ATOM 668 CA SER A 43 7.685 -12.753 1.345 1.00 0.00 C ATOM 669 C SER A 43 7.020 -13.594 2.425 1.00 0.00 C ATOM 670 O SER A 43 5.999 -13.195 2.986 1.00 0.00 O ATOM 671 CB SER A 43 8.876 -11.988 1.921 1.00 0.00 C ATOM 672 OG SER A 43 9.517 -12.727 2.946 1.00 0.00 O ATOM 0 H SER A 43 6.265 -11.229 1.482 1.00 0.00 H new ATOM 0 HA SER A 43 8.054 -13.407 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.590 -11.770 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.538 -11.030 2.317 1.00 0.00 H new ATOM 0 HG SER A 43 9.917 -12.109 3.593 1.00 0.00 H new ATOM 678 N THR A 44 7.580 -14.759 2.704 1.00 0.00 N ATOM 679 CA THR A 44 7.005 -15.642 3.709 1.00 0.00 C ATOM 680 C THR A 44 7.706 -15.496 5.051 1.00 0.00 C ATOM 681 O THR A 44 8.933 -15.554 5.141 1.00 0.00 O ATOM 682 CB THR A 44 7.052 -17.084 3.222 1.00 0.00 C ATOM 683 OG1 THR A 44 8.370 -17.601 3.279 1.00 0.00 O ATOM 684 CG2 THR A 44 6.560 -17.218 1.803 1.00 0.00 C ATOM 0 H THR A 44 8.424 -15.114 2.255 1.00 0.00 H new ATOM 0 HA THR A 44 5.964 -15.355 3.859 1.00 0.00 H new ATOM 0 HB THR A 44 6.397 -17.648 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.941 -16.987 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.611 -18.263 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.528 -16.872 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.185 -16.616 1.143 1.00 0.00 H new ATOM 692 N THR A 45 6.905 -15.292 6.090 1.00 0.00 N ATOM 693 CA THR A 45 7.417 -15.118 7.442 1.00 0.00 C ATOM 694 C THR A 45 6.843 -16.176 8.380 1.00 0.00 C ATOM 695 O THR A 45 5.891 -16.875 8.035 1.00 0.00 O ATOM 696 CB THR A 45 7.080 -13.710 7.956 1.00 0.00 C ATOM 697 OG1 THR A 45 6.890 -13.714 9.361 1.00 0.00 O ATOM 698 CG2 THR A 45 5.833 -13.110 7.329 1.00 0.00 C ATOM 0 H THR A 45 5.889 -15.243 6.019 1.00 0.00 H new ATOM 0 HA THR A 45 8.500 -15.237 7.418 1.00 0.00 H new ATOM 0 HB THR A 45 7.937 -13.099 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.150 -12.844 9.729 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.660 -12.116 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.968 -13.036 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.975 -13.747 7.545 1.00 0.00 H new ATOM 706 N THR A 46 7.431 -16.287 9.568 1.00 0.00 N ATOM 707 CA THR A 46 6.979 -17.259 10.557 1.00 0.00 C ATOM 708 C THR A 46 6.418 -16.558 11.790 1.00 0.00 C ATOM 709 O THR A 46 6.628 -17.002 12.919 1.00 0.00 O ATOM 710 CB THR A 46 8.131 -18.182 10.959 1.00 0.00 C ATOM 711 OG1 THR A 46 8.899 -18.547 9.826 1.00 0.00 O ATOM 712 CG2 THR A 46 7.671 -19.457 11.631 1.00 0.00 C ATOM 0 H THR A 46 8.221 -15.716 9.868 1.00 0.00 H new ATOM 0 HA THR A 46 6.185 -17.856 10.108 1.00 0.00 H new ATOM 0 HB THR A 46 8.724 -17.609 11.672 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.632 -19.136 10.103 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.538 -20.065 11.890 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.117 -19.211 12.537 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.027 -20.014 10.951 1.00 0.00 H new ATOM 720 N ALA A 47 5.704 -15.461 11.567 1.00 0.00 N ATOM 721 CA ALA A 47 5.113 -14.696 12.659 1.00 0.00 C ATOM 722 C ALA A 47 3.591 -14.767 12.618 1.00 0.00 C ATOM 723 O ALA A 47 3.016 -15.565 11.878 1.00 0.00 O ATOM 724 CB ALA A 47 5.578 -13.249 12.599 1.00 0.00 C ATOM 0 H ALA A 47 5.520 -15.081 10.639 1.00 0.00 H new ATOM 0 HA ALA A 47 5.445 -15.135 13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.130 -12.688 13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.664 -13.212 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.274 -12.808 11.650 1.00 0.00 H new ATOM 730 N HIS A 48 2.942 -13.927 13.418 1.00 0.00 N ATOM 731 CA HIS A 48 1.486 -13.894 13.474 1.00 0.00 C ATOM 732 C HIS A 48 0.938 -12.717 12.672 1.00 0.00 C ATOM 733 O HIS A 48 1.543 -11.646 12.629 1.00 0.00 O ATOM 734 CB HIS A 48 1.012 -13.804 14.925 1.00 0.00 C ATOM 735 CG HIS A 48 1.110 -15.100 15.668 1.00 0.00 C ATOM 736 ND1 HIS A 48 1.996 -15.309 16.703 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.426 -16.259 15.519 1.00 0.00 C ATOM 738 CE1 HIS A 48 1.855 -16.541 17.159 1.00 0.00 C ATOM 739 NE2 HIS A 48 0.908 -17.137 16.459 1.00 0.00 N ATOM 0 H HIS A 48 3.403 -13.260 14.037 1.00 0.00 H new ATOM 0 HA HIS A 48 1.109 -14.817 13.034 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.603 -13.051 15.446 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.023 -13.463 14.940 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.352 -16.456 14.797 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.418 -16.985 17.967 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.586 -18.095 16.594 1.00 0.00 H new ATOM 748 N GLY A 49 -0.212 -12.924 12.037 1.00 0.00 N ATOM 749 CA GLY A 49 -0.822 -11.872 11.245 1.00 0.00 C ATOM 750 C GLY A 49 -2.040 -11.269 11.919 1.00 0.00 C ATOM 751 O GLY A 49 -2.937 -11.991 12.354 1.00 0.00 O ATOM 0 H GLY A 49 -0.732 -13.801 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.087 -11.088 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.110 -12.274 10.273 1.00 0.00 H new ATOM 755 N CYS A 50 -2.069 -9.944 12.005 1.00 0.00 N ATOM 756 CA CYS A 50 -3.185 -9.242 12.631 1.00 0.00 C ATOM 757 C CYS A 50 -3.957 -8.416 11.606 1.00 0.00 C ATOM 758 O CYS A 50 -5.169 -8.238 11.724 1.00 0.00 O ATOM 759 CB CYS A 50 -2.678 -8.335 13.753 1.00 0.00 C ATOM 760 SG CYS A 50 -2.027 -9.226 15.184 1.00 0.00 S ATOM 0 H CYS A 50 -1.333 -9.334 11.649 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.860 -9.989 13.050 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.897 -7.686 13.356 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.493 -7.690 14.080 1.00 0.00 H new ATOM 0 HG CYS A 50 -1.621 -8.374 16.078 1.00 0.00 H new ATOM 766 N ASP A 51 -3.246 -7.913 10.601 1.00 0.00 N ATOM 767 CA ASP A 51 -3.867 -7.105 9.557 1.00 0.00 C ATOM 768 C ASP A 51 -4.762 -7.960 8.666 1.00 0.00 C ATOM 769 O ASP A 51 -4.372 -9.044 8.234 1.00 0.00 O ATOM 770 CB ASP A 51 -2.794 -6.416 8.713 1.00 0.00 C ATOM 771 CG ASP A 51 -1.789 -5.661 9.559 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.213 -4.791 10.349 1.00 0.00 O ATOM 773 OD2 ASP A 51 -0.578 -5.938 9.432 1.00 0.00 O ATOM 0 H ASP A 51 -2.242 -8.050 10.488 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.485 -6.346 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.272 -7.162 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.271 -5.725 8.017 1.00 0.00 H new ATOM 778 N THR A 52 -5.962 -7.459 8.391 1.00 0.00 N ATOM 779 CA THR A 52 -6.914 -8.170 7.546 1.00 0.00 C ATOM 780 C THR A 52 -7.250 -7.348 6.308 1.00 0.00 C ATOM 781 O THR A 52 -7.798 -6.250 6.411 1.00 0.00 O ATOM 782 CB THR A 52 -8.191 -8.483 8.330 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.892 -9.227 9.498 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.205 -9.272 7.529 1.00 0.00 C ATOM 0 H THR A 52 -6.298 -6.562 8.742 1.00 0.00 H new ATOM 0 HA THR A 52 -6.456 -9.107 7.228 1.00 0.00 H new ATOM 0 HB THR A 52 -8.623 -7.514 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.720 -9.416 9.987 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.086 -9.461 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.493 -8.703 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.767 -10.222 7.222 1.00 0.00 H new ATOM 792 N ILE A 53 -6.913 -7.881 5.138 1.00 0.00 N ATOM 793 CA ILE A 53 -7.174 -7.187 3.882 1.00 0.00 C ATOM 794 C ILE A 53 -8.641 -7.275 3.494 1.00 0.00 C ATOM 795 O ILE A 53 -9.277 -8.318 3.648 1.00 0.00 O ATOM 796 CB ILE A 53 -6.327 -7.739 2.716 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.962 -8.248 3.217 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.173 -6.671 1.639 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.764 -7.735 2.437 1.00 0.00 C ATOM 0 H ILE A 53 -6.460 -8.789 5.033 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.897 -6.147 4.057 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.842 -8.594 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.846 -7.963 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.961 -9.337 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.574 -7.066 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.157 -6.386 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.678 -5.797 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.849 -8.147 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.850 -8.042 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.732 -6.647 2.493 1.00 0.00 H new ATOM 811 N ALA A 54 -9.170 -6.169 2.990 1.00 0.00 N ATOM 812 CA ALA A 54 -10.563 -6.106 2.576 1.00 0.00 C ATOM 813 C ALA A 54 -10.709 -6.342 1.076 1.00 0.00 C ATOM 814 O ALA A 54 -10.479 -5.439 0.272 1.00 0.00 O ATOM 815 CB ALA A 54 -11.153 -4.759 2.955 1.00 0.00 C ATOM 0 H ALA A 54 -8.652 -5.300 2.858 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.107 -6.897 3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.196 -4.718 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.092 -4.626 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.594 -3.965 2.460 1.00 0.00 H new ATOM 821 N ARG A 55 -11.110 -7.554 0.706 1.00 0.00 N ATOM 822 CA ARG A 55 -11.304 -7.897 -0.699 1.00 0.00 C ATOM 823 C ARG A 55 -12.652 -7.375 -1.186 1.00 0.00 C ATOM 824 O ARG A 55 -13.511 -8.142 -1.622 1.00 0.00 O ATOM 825 CB ARG A 55 -11.221 -9.412 -0.898 1.00 0.00 C ATOM 826 CG ARG A 55 -11.104 -9.829 -2.354 1.00 0.00 C ATOM 827 CD ARG A 55 -9.727 -9.514 -2.915 1.00 0.00 C ATOM 828 NE ARG A 55 -9.707 -9.558 -4.376 1.00 0.00 N ATOM 829 CZ ARG A 55 -9.706 -10.685 -5.084 1.00 0.00 C ATOM 830 NH1 ARG A 55 -9.726 -11.862 -4.471 1.00 0.00 N ATOM 831 NH2 ARG A 55 -9.685 -10.635 -6.409 1.00 0.00 N ATOM 0 H ARG A 55 -11.307 -8.314 1.358 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.512 -7.428 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.361 -9.796 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.108 -9.876 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.299 -10.898 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.864 -9.315 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.416 -8.525 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.003 -10.227 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.693 -8.673 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.742 -11.906 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.725 -12.722 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.670 -9.733 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.684 -11.498 -6.952 1.00 0.00 H new ATOM 845 N CYS A 56 -12.829 -6.064 -1.090 1.00 0.00 N ATOM 846 CA CYS A 56 -14.072 -5.416 -1.501 1.00 0.00 C ATOM 847 C CYS A 56 -13.819 -4.383 -2.594 1.00 0.00 C ATOM 848 O CYS A 56 -12.703 -3.888 -2.750 1.00 0.00 O ATOM 849 CB CYS A 56 -14.745 -4.735 -0.298 1.00 0.00 C ATOM 850 SG CYS A 56 -13.612 -4.344 1.079 1.00 0.00 S ATOM 0 H CYS A 56 -12.123 -5.423 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.732 -6.188 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.218 -3.813 -0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.539 -5.383 0.074 1.00 0.00 H new ATOM 855 N GLN A 57 -14.869 -4.053 -3.336 1.00 0.00 N ATOM 856 CA GLN A 57 -14.771 -3.065 -4.404 1.00 0.00 C ATOM 857 C GLN A 57 -15.227 -1.695 -3.905 1.00 0.00 C ATOM 858 O GLN A 57 -15.549 -0.809 -4.697 1.00 0.00 O ATOM 859 CB GLN A 57 -15.615 -3.494 -5.608 1.00 0.00 C ATOM 860 CG GLN A 57 -14.848 -3.486 -6.920 1.00 0.00 C ATOM 861 CD GLN A 57 -14.479 -2.086 -7.372 1.00 0.00 C ATOM 862 OE1 GLN A 57 -15.296 -1.168 -7.316 1.00 0.00 O ATOM 863 NE2 GLN A 57 -13.241 -1.917 -7.822 1.00 0.00 N ATOM 0 H GLN A 57 -15.799 -4.455 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.728 -2.996 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.004 -4.496 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.474 -2.829 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.940 -4.079 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.450 -3.966 -7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.597 -2.707 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.935 -0.997 -8.139 1.00 0.00 H new ATOM 872 N CYS A 58 -15.249 -1.531 -2.584 1.00 0.00 N ATOM 873 CA CYS A 58 -15.662 -0.277 -1.969 1.00 0.00 C ATOM 874 C CYS A 58 -14.804 0.883 -2.465 1.00 0.00 C ATOM 875 O CYS A 58 -13.575 0.813 -2.439 1.00 0.00 O ATOM 876 CB CYS A 58 -15.559 -0.384 -0.445 1.00 0.00 C ATOM 877 SG CYS A 58 -13.864 -0.675 0.158 1.00 0.00 S ATOM 0 H CYS A 58 -14.984 -2.257 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.697 -0.084 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -15.941 0.534 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.201 -1.196 -0.103 1.00 0.00 H new ATOM 882 N THR A 59 -15.459 1.947 -2.916 1.00 0.00 N ATOM 883 CA THR A 59 -14.753 3.121 -3.418 1.00 0.00 C ATOM 884 C THR A 59 -14.525 4.147 -2.309 1.00 0.00 C ATOM 885 O THR A 59 -14.154 5.290 -2.577 1.00 0.00 O ATOM 886 CB THR A 59 -15.538 3.761 -4.564 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.093 2.768 -5.408 1.00 0.00 O ATOM 888 CG2 THR A 59 -14.698 4.679 -5.425 1.00 0.00 C ATOM 0 H THR A 59 -16.476 2.021 -2.945 1.00 0.00 H new ATOM 0 HA THR A 59 -13.780 2.794 -3.786 1.00 0.00 H new ATOM 0 HB THR A 59 -16.318 4.352 -4.085 1.00 0.00 H new ATOM 0 HG1 THR A 59 -16.593 3.197 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.316 5.100 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.296 5.486 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.877 4.114 -5.865 1.00 0.00 H new ATOM 896 N THR A 60 -14.750 3.736 -1.062 1.00 0.00 N ATOM 897 CA THR A 60 -14.567 4.625 0.079 1.00 0.00 C ATOM 898 C THR A 60 -13.711 3.964 1.153 1.00 0.00 C ATOM 899 O THR A 60 -13.961 2.824 1.546 1.00 0.00 O ATOM 900 CB THR A 60 -15.923 5.024 0.664 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.521 3.930 1.334 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.903 5.516 -0.379 1.00 0.00 C ATOM 0 H THR A 60 -15.059 2.795 -0.819 1.00 0.00 H new ATOM 0 HA THR A 60 -14.052 5.520 -0.269 1.00 0.00 H new ATOM 0 HB THR A 60 -15.711 5.841 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.831 3.278 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.844 5.782 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.491 6.392 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.081 4.729 -1.112 1.00 0.00 H new ATOM 910 N GLY A 61 -12.703 4.687 1.624 1.00 0.00 N ATOM 911 CA GLY A 61 -11.824 4.157 2.649 1.00 0.00 C ATOM 912 C GLY A 61 -11.185 5.251 3.481 1.00 0.00 C ATOM 913 O GLY A 61 -11.661 6.387 3.492 1.00 0.00 O ATOM 0 H GLY A 61 -12.478 5.632 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.390 3.491 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.044 3.557 2.181 1.00 0.00 H new ATOM 917 N VAL A 62 -10.106 4.913 4.177 1.00 0.00 N ATOM 918 CA VAL A 62 -9.408 5.883 5.011 1.00 0.00 C ATOM 919 C VAL A 62 -7.896 5.713 4.908 1.00 0.00 C ATOM 920 O VAL A 62 -7.376 4.595 4.952 1.00 0.00 O ATOM 921 CB VAL A 62 -9.837 5.768 6.488 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.545 4.376 7.029 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.155 6.833 7.336 1.00 0.00 C ATOM 0 H VAL A 62 -9.697 3.979 4.181 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.680 6.872 4.642 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.913 5.933 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.856 4.318 8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.093 3.636 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.476 4.175 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.474 6.731 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.074 6.710 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.429 7.822 6.968 1.00 0.00 H new ATOM 933 N TYR A 63 -7.197 6.836 4.774 1.00 0.00 N ATOM 934 CA TYR A 63 -5.745 6.826 4.669 1.00 0.00 C ATOM 935 C TYR A 63 -5.110 7.407 5.928 1.00 0.00 C ATOM 936 O TYR A 63 -5.435 8.518 6.344 1.00 0.00 O ATOM 937 CB TYR A 63 -5.291 7.610 3.432 1.00 0.00 C ATOM 938 CG TYR A 63 -5.481 9.109 3.538 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.551 9.899 4.204 1.00 0.00 C ATOM 940 CD2 TYR A 63 -6.584 9.736 2.967 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.715 11.268 4.301 1.00 0.00 C ATOM 942 CE2 TYR A 63 -6.753 11.105 3.059 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.816 11.865 3.727 1.00 0.00 C ATOM 944 OH TYR A 63 -5.982 13.228 3.820 1.00 0.00 O ATOM 0 H TYR A 63 -7.615 7.765 4.736 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.417 5.792 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.237 7.401 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.841 7.247 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.685 9.435 4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.320 9.144 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.984 11.867 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.614 11.577 2.610 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.439 13.445 4.659 1.00 0.00 H new ATOM 954 N PHE A 64 -4.208 6.645 6.535 1.00 0.00 N ATOM 955 CA PHE A 64 -3.534 7.084 7.751 1.00 0.00 C ATOM 956 C PHE A 64 -2.043 7.287 7.504 1.00 0.00 C ATOM 957 O PHE A 64 -1.385 6.449 6.887 1.00 0.00 O ATOM 958 CB PHE A 64 -3.749 6.061 8.873 1.00 0.00 C ATOM 959 CG PHE A 64 -2.887 6.294 10.085 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.575 5.851 10.111 1.00 0.00 C ATOM 961 CD2 PHE A 64 -3.390 6.956 11.194 1.00 0.00 C ATOM 962 CE1 PHE A 64 -0.780 6.064 11.221 1.00 0.00 C ATOM 963 CE2 PHE A 64 -2.599 7.171 12.307 1.00 0.00 C ATOM 964 CZ PHE A 64 -1.292 6.724 12.320 1.00 0.00 C ATOM 0 H PHE A 64 -3.927 5.721 6.206 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.963 8.039 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.796 6.082 9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.549 5.063 8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.169 5.333 9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.411 7.308 11.188 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.242 5.714 11.229 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.002 7.688 13.165 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.672 6.891 13.188 1.00 0.00 H new ATOM 974 N CYS A 65 -1.516 8.403 7.999 1.00 0.00 N ATOM 975 CA CYS A 65 -0.097 8.712 7.838 1.00 0.00 C ATOM 976 C CYS A 65 0.265 8.946 6.371 1.00 0.00 C ATOM 977 O CYS A 65 1.434 8.862 5.995 1.00 0.00 O ATOM 978 CB CYS A 65 0.760 7.580 8.410 1.00 0.00 C ATOM 979 SG CYS A 65 1.485 7.947 10.026 1.00 0.00 S ATOM 0 H CYS A 65 -2.047 9.106 8.513 1.00 0.00 H new ATOM 0 HA CYS A 65 0.104 9.632 8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.148 6.682 8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.562 7.355 7.707 1.00 0.00 H new ATOM 0 HG CYS A 65 0.755 7.414 10.960 1.00 0.00 H new ATOM 985 N ALA A 66 -0.736 9.241 5.547 1.00 0.00 N ATOM 986 CA ALA A 66 -0.502 9.487 4.127 1.00 0.00 C ATOM 987 C ALA A 66 -0.278 10.971 3.861 1.00 0.00 C ATOM 988 O ALA A 66 0.644 11.351 3.139 1.00 0.00 O ATOM 989 CB ALA A 66 -1.671 8.971 3.303 1.00 0.00 C ATOM 0 H ALA A 66 -1.712 9.315 5.835 1.00 0.00 H new ATOM 0 HA ALA A 66 0.400 8.950 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.483 9.161 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.785 7.899 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.584 9.483 3.607 1.00 0.00 H new ATOM 995 N SER A 67 -1.123 11.803 4.458 1.00 0.00 N ATOM 996 CA SER A 67 -1.018 13.250 4.298 1.00 0.00 C ATOM 997 C SER A 67 -0.680 13.907 5.632 1.00 0.00 C ATOM 998 O SER A 67 0.093 14.862 5.691 1.00 0.00 O ATOM 999 CB SER A 67 -2.326 13.821 3.747 1.00 0.00 C ATOM 1000 OG SER A 67 -2.154 15.156 3.303 1.00 0.00 O ATOM 0 H SER A 67 -1.890 11.501 5.058 1.00 0.00 H new ATOM 0 HA SER A 67 -0.217 13.463 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.677 13.202 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.095 13.788 4.519 1.00 0.00 H new ATOM 0 HG SER A 67 -3.004 15.497 2.954 1.00 0.00 H new ATOM 1006 N LYS A 68 -1.266 13.376 6.700 1.00 0.00 N ATOM 1007 CA LYS A 68 -1.036 13.889 8.044 1.00 0.00 C ATOM 1008 C LYS A 68 -0.629 12.752 8.976 1.00 0.00 C ATOM 1009 O LYS A 68 -0.426 11.626 8.529 1.00 0.00 O ATOM 1010 CB LYS A 68 -2.298 14.577 8.568 1.00 0.00 C ATOM 1011 CG LYS A 68 -2.399 16.044 8.177 1.00 0.00 C ATOM 1012 CD LYS A 68 -2.033 16.957 9.335 1.00 0.00 C ATOM 1013 CE LYS A 68 -1.409 18.255 8.845 1.00 0.00 C ATOM 1014 NZ LYS A 68 -1.792 19.413 9.698 1.00 0.00 N ATOM 0 H LYS A 68 -1.908 12.585 6.659 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.228 14.620 8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.173 14.048 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.321 14.497 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.738 16.243 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.414 16.264 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.925 17.179 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.336 16.444 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.324 18.155 8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.721 18.442 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.346 20.278 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.826 19.525 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.472 19.247 10.673 1.00 0.00 H new ATOM 1028 N SER A 69 -0.514 13.043 10.268 1.00 0.00 N ATOM 1029 CA SER A 69 -0.136 12.024 11.245 1.00 0.00 C ATOM 1030 C SER A 69 -1.374 11.377 11.863 1.00 0.00 C ATOM 1031 O SER A 69 -1.351 10.937 13.012 1.00 0.00 O ATOM 1032 CB SER A 69 0.735 12.637 12.344 1.00 0.00 C ATOM 1033 OG SER A 69 1.500 13.721 11.844 1.00 0.00 O ATOM 0 H SER A 69 -0.676 13.970 10.662 1.00 0.00 H new ATOM 0 HA SER A 69 0.435 11.254 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.104 12.981 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.400 11.876 12.752 1.00 0.00 H new ATOM 0 HG SER A 69 2.046 14.096 12.566 1.00 0.00 H new ATOM 1039 N LYS A 70 -2.455 11.334 11.091 1.00 0.00 N ATOM 1040 CA LYS A 70 -3.716 10.759 11.544 1.00 0.00 C ATOM 1041 C LYS A 70 -4.418 10.027 10.405 1.00 0.00 C ATOM 1042 O LYS A 70 -4.000 10.112 9.246 1.00 0.00 O ATOM 1043 CB LYS A 70 -4.640 11.848 12.095 1.00 0.00 C ATOM 1044 CG LYS A 70 -4.002 12.715 13.171 1.00 0.00 C ATOM 1045 CD LYS A 70 -3.877 14.165 12.722 1.00 0.00 C ATOM 1046 CE LYS A 70 -2.424 14.585 12.569 1.00 0.00 C ATOM 1047 NZ LYS A 70 -2.112 15.802 13.366 1.00 0.00 N ATOM 0 H LYS A 70 -2.482 11.695 10.137 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.490 10.047 12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.963 12.486 11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.534 11.378 12.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.600 12.666 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.015 12.323 13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.396 14.298 11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.369 14.814 13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.775 13.768 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.210 14.775 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.112 16.056 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.714 16.589 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.292 15.613 14.373 1.00 0.00 H new ATOM 1061 N HIS A 71 -5.489 9.313 10.741 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.261 8.582 9.745 1.00 0.00 C ATOM 1063 C HIS A 71 -7.262 9.528 9.091 1.00 0.00 C ATOM 1064 O HIS A 71 -7.891 10.342 9.768 1.00 0.00 O ATOM 1065 CB HIS A 71 -6.992 7.404 10.394 1.00 0.00 C ATOM 1066 CG HIS A 71 -7.989 7.816 11.433 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -7.632 8.184 12.713 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -9.338 7.917 11.377 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -8.718 8.493 13.399 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -9.765 8.340 12.611 1.00 0.00 N ATOM 0 H HIS A 71 -5.840 9.226 11.695 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.585 8.188 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.503 6.833 9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.259 6.739 10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.962 7.704 10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.744 8.816 14.429 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.735 8.509 12.876 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.385 9.445 7.770 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.286 10.329 7.037 1.00 0.00 C ATOM 1081 C TYR A 72 -9.204 9.556 6.091 1.00 0.00 C ATOM 1082 O TYR A 72 -8.739 8.969 5.114 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.468 11.330 6.220 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.069 12.580 6.975 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.119 12.535 7.988 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.637 13.807 6.660 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -5.746 13.681 8.668 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.271 14.956 7.334 1.00 0.00 C ATOM 1089 CZ TYR A 72 -6.326 14.888 8.336 1.00 0.00 C ATOM 1090 OH TYR A 72 -5.959 16.030 9.010 1.00 0.00 O ATOM 0 H TYR A 72 -6.876 8.780 7.188 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.907 10.844 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.566 10.835 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.045 11.620 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.665 11.591 8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.377 13.864 5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.006 13.631 9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.723 15.903 7.077 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.459 16.794 8.655 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.527 9.572 6.340 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.493 8.897 5.473 1.00 0.00 C ATOM 1102 C PRO A 73 -11.602 9.622 4.137 1.00 0.00 C ATOM 1103 O PRO A 73 -11.924 10.810 4.097 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.819 8.986 6.245 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.464 9.485 7.608 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.190 10.263 7.452 1.00 0.00 C ATOM 0 HA PRO A 73 -11.210 7.869 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.515 9.663 5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.306 8.012 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.257 10.115 8.011 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.331 8.656 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.381 11.311 7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.588 10.241 8.360 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.309 8.924 3.046 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.357 9.543 1.728 1.00 0.00 C ATOM 1116 C VAL A 74 -11.864 8.585 0.655 1.00 0.00 C ATOM 1117 O VAL A 74 -11.708 7.369 0.764 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.959 10.064 1.318 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.095 8.944 0.753 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -10.077 11.201 0.319 1.00 0.00 C ATOM 0 H VAL A 74 -11.039 7.940 3.047 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.058 10.374 1.802 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.472 10.444 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.119 9.342 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.968 8.167 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.579 8.520 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.081 11.550 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.595 10.849 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.639 12.021 0.766 1.00 0.00 H new ATOM 1130 N SER A 75 -12.443 9.153 -0.397 1.00 0.00 N ATOM 1131 CA SER A 75 -12.942 8.370 -1.516 1.00 0.00 C ATOM 1132 C SER A 75 -11.876 8.314 -2.602 1.00 0.00 C ATOM 1133 O SER A 75 -11.282 9.336 -2.946 1.00 0.00 O ATOM 1134 CB SER A 75 -14.232 8.980 -2.068 1.00 0.00 C ATOM 1135 OG SER A 75 -15.050 9.478 -1.025 1.00 0.00 O ATOM 0 H SER A 75 -12.578 10.159 -0.496 1.00 0.00 H new ATOM 0 HA SER A 75 -13.167 7.360 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.989 9.787 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.780 8.227 -2.635 1.00 0.00 H new ATOM 0 HG SER A 75 -15.867 9.864 -1.405 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.618 7.125 -3.129 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.598 6.969 -4.160 1.00 0.00 C ATOM 1143 C PHE A 76 -11.079 6.092 -5.307 1.00 0.00 C ATOM 1144 O PHE A 76 -12.050 5.347 -5.179 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.300 6.380 -3.576 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.386 5.963 -2.132 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.372 5.091 -1.698 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.473 6.447 -1.209 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.446 4.714 -0.371 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.540 6.073 0.117 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.529 5.206 0.538 1.00 0.00 C ATOM 0 H PHE A 76 -12.094 6.263 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.396 7.967 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.011 5.515 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.505 7.118 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.090 4.702 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.698 7.126 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.220 4.035 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.820 6.457 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.586 4.913 1.576 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.365 6.181 -6.423 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.674 5.396 -7.608 1.00 0.00 C ATOM 1163 C GLU A 77 -9.568 4.376 -7.838 1.00 0.00 C ATOM 1164 O GLU A 77 -8.456 4.546 -7.338 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.822 6.303 -8.831 1.00 0.00 C ATOM 1166 CG GLU A 77 -9.756 7.382 -8.922 1.00 0.00 C ATOM 1167 CD GLU A 77 -9.892 8.232 -10.170 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -10.958 8.860 -10.346 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -8.934 8.271 -10.971 1.00 0.00 O ATOM 0 H GLU A 77 -9.559 6.797 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.620 4.877 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.786 5.692 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.804 6.776 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.817 8.023 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.771 6.916 -8.910 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.875 3.313 -8.573 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.883 2.284 -8.826 1.00 0.00 C ATOM 1178 C GLY A 78 -8.333 2.305 -10.241 1.00 0.00 C ATOM 1179 O GLY A 78 -8.548 1.359 -11.000 1.00 0.00 O ATOM 0 H GLY A 78 -10.788 3.145 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.059 2.405 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.327 1.308 -8.632 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.605 3.367 -10.631 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.025 3.467 -11.971 1.00 0.00 C ATOM 1185 C PRO A 79 -5.919 2.439 -12.192 1.00 0.00 C ATOM 1186 O PRO A 79 -5.046 2.247 -11.338 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.453 4.886 -12.018 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.234 5.263 -10.596 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.286 4.541 -9.800 1.00 0.00 C ATOM 0 HA PRO A 79 -7.763 3.272 -12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.521 4.917 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.144 5.573 -12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.234 4.978 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.318 6.342 -10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.915 4.248 -8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.164 5.166 -9.636 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.968 1.777 -13.342 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.975 0.773 -13.664 1.00 0.00 C ATOM 1199 C GLY A 80 -3.566 1.326 -13.658 1.00 0.00 C ATOM 1200 O GLY A 80 -2.856 1.219 -12.659 1.00 0.00 O ATOM 0 H GLY A 80 -6.680 1.919 -14.058 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.044 -0.044 -12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.193 0.354 -14.646 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.155 1.914 -14.774 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.817 2.475 -14.887 1.00 0.00 C ATOM 1206 C LEU A 81 -1.807 3.977 -14.623 1.00 0.00 C ATOM 1207 O LEU A 81 -2.456 4.747 -15.331 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.233 2.194 -16.266 1.00 0.00 C ATOM 1209 CG LEU A 81 0.263 1.873 -16.276 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.015 2.721 -15.259 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.494 0.393 -16.014 1.00 0.00 C ATOM 0 H LEU A 81 -3.728 2.014 -15.612 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.202 1.993 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.773 1.358 -16.710 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.409 3.061 -16.903 1.00 0.00 H new ATOM 0 HG LEU A 81 0.651 2.114 -17.266 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.075 2.470 -15.289 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.885 3.776 -15.498 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.624 2.524 -14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.564 0.184 -16.025 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.082 0.127 -15.040 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.002 -0.195 -16.789 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.049 4.387 -13.612 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.931 5.798 -13.267 1.00 0.00 C ATOM 1225 C VAL A 82 0.532 6.227 -13.280 1.00 0.00 C ATOM 1226 O VAL A 82 1.361 5.652 -12.574 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.546 6.104 -11.882 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.471 7.593 -11.580 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.987 5.619 -11.826 1.00 0.00 C ATOM 0 H VAL A 82 -0.507 3.761 -13.017 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.485 6.362 -14.017 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.971 5.573 -11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.909 7.788 -10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.429 7.913 -11.582 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.022 8.147 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.408 5.841 -10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.571 6.125 -12.594 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.016 4.543 -11.998 1.00 0.00 H new ATOM 1239 N GLU A 83 0.845 7.232 -14.091 1.00 0.00 N ATOM 1240 CA GLU A 83 2.213 7.726 -14.196 1.00 0.00 C ATOM 1241 C GLU A 83 2.599 8.500 -12.942 1.00 0.00 C ATOM 1242 O GLU A 83 2.119 9.609 -12.711 1.00 0.00 O ATOM 1243 CB GLU A 83 2.364 8.618 -15.430 1.00 0.00 C ATOM 1244 CG GLU A 83 3.702 8.461 -16.133 1.00 0.00 C ATOM 1245 CD GLU A 83 4.020 9.626 -17.048 1.00 0.00 C ATOM 1246 OE1 GLU A 83 3.430 9.697 -18.146 1.00 0.00 O ATOM 1247 OE2 GLU A 83 4.860 10.468 -16.667 1.00 0.00 O ATOM 0 H GLU A 83 0.172 7.719 -14.683 1.00 0.00 H new ATOM 0 HA GLU A 83 2.880 6.870 -14.297 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.564 8.389 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.239 9.659 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.491 8.364 -15.387 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.697 7.539 -16.714 1.00 0.00 H new ATOM 1254 N VAL A 84 3.463 7.901 -12.131 1.00 0.00 N ATOM 1255 CA VAL A 84 3.907 8.526 -10.895 1.00 0.00 C ATOM 1256 C VAL A 84 4.927 9.631 -11.157 1.00 0.00 C ATOM 1257 O VAL A 84 5.970 9.396 -11.770 1.00 0.00 O ATOM 1258 CB VAL A 84 4.508 7.492 -9.924 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.520 6.367 -9.663 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.825 6.944 -10.454 1.00 0.00 C ATOM 0 H VAL A 84 3.869 6.982 -12.309 1.00 0.00 H new ATOM 0 HA VAL A 84 3.023 8.969 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 84 4.713 7.995 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.962 5.647 -8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.610 6.776 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.278 5.870 -10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.227 6.217 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.657 6.461 -11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.536 7.761 -10.577 1.00 0.00 H new ATOM 1270 N GLN A 85 4.610 10.829 -10.677 1.00 0.00 N ATOM 1271 CA GLN A 85 5.479 11.994 -10.837 1.00 0.00 C ATOM 1272 C GLN A 85 6.736 11.850 -9.988 1.00 0.00 C ATOM 1273 O GLN A 85 6.717 11.204 -8.940 1.00 0.00 O ATOM 1274 CB GLN A 85 4.739 13.278 -10.448 1.00 0.00 C ATOM 1275 CG GLN A 85 3.255 13.258 -10.775 1.00 0.00 C ATOM 1276 CD GLN A 85 2.668 14.649 -10.904 1.00 0.00 C ATOM 1277 OE1 GLN A 85 2.025 14.974 -11.904 1.00 0.00 O ATOM 1278 NE2 GLN A 85 2.885 15.480 -9.891 1.00 0.00 N ATOM 0 H GLN A 85 3.747 11.021 -10.168 1.00 0.00 H new ATOM 0 HA GLN A 85 5.767 12.055 -11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.863 13.447 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.202 14.122 -10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.099 12.714 -11.707 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.722 12.714 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.423 15.169 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.514 16.429 -9.922 1.00 0.00 H new ATOM 1287 N GLU A 86 7.833 12.450 -10.444 1.00 0.00 N ATOM 1288 CA GLU A 86 9.091 12.373 -9.713 1.00 0.00 C ATOM 1289 C GLU A 86 8.987 13.137 -8.399 1.00 0.00 C ATOM 1290 O GLU A 86 9.049 14.366 -8.375 1.00 0.00 O ATOM 1291 CB GLU A 86 10.236 12.944 -10.554 1.00 0.00 C ATOM 1292 CG GLU A 86 11.574 12.964 -9.832 1.00 0.00 C ATOM 1293 CD GLU A 86 12.649 13.690 -10.616 1.00 0.00 C ATOM 1294 OE1 GLU A 86 13.198 13.092 -11.565 1.00 0.00 O ATOM 1295 OE2 GLU A 86 12.943 14.857 -10.280 1.00 0.00 O ATOM 0 H GLU A 86 7.875 12.990 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 86 9.299 11.324 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.334 12.355 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.981 13.960 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.451 13.444 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.896 11.940 -9.643 1.00 0.00 H new ATOM 1302 N SER A 87 8.821 12.397 -7.309 1.00 0.00 N ATOM 1303 CA SER A 87 8.701 13.003 -5.987 1.00 0.00 C ATOM 1304 C SER A 87 9.374 12.146 -4.921 1.00 0.00 C ATOM 1305 O SER A 87 9.687 10.979 -5.154 1.00 0.00 O ATOM 1306 CB SER A 87 7.228 13.211 -5.632 1.00 0.00 C ATOM 1307 OG SER A 87 6.438 13.369 -6.798 1.00 0.00 O ATOM 0 H SER A 87 8.766 11.378 -7.314 1.00 0.00 H new ATOM 0 HA SER A 87 9.205 13.969 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.866 12.359 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.125 14.091 -4.997 1.00 0.00 H new ATOM 0 HG SER A 87 5.501 13.499 -6.543 1.00 0.00 H new ATOM 1313 N GLU A 88 9.578 12.734 -3.744 1.00 0.00 N ATOM 1314 CA GLU A 88 10.199 12.036 -2.623 1.00 0.00 C ATOM 1315 C GLU A 88 11.560 11.453 -3.008 1.00 0.00 C ATOM 1316 O GLU A 88 12.599 12.054 -2.737 1.00 0.00 O ATOM 1317 CB GLU A 88 9.270 10.932 -2.106 1.00 0.00 C ATOM 1318 CG GLU A 88 9.582 10.490 -0.685 1.00 0.00 C ATOM 1319 CD GLU A 88 8.536 10.947 0.313 1.00 0.00 C ATOM 1320 OE1 GLU A 88 8.199 12.149 0.311 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.054 10.102 1.097 1.00 0.00 O ATOM 0 H GLU A 88 9.320 13.700 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 88 10.365 12.762 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.240 11.286 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.340 10.070 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.656 9.403 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.555 10.884 -0.392 1.00 0.00 H new ATOM 1328 N TYR A 89 11.549 10.281 -3.637 1.00 0.00 N ATOM 1329 CA TYR A 89 12.782 9.624 -4.052 1.00 0.00 C ATOM 1330 C TYR A 89 12.530 8.686 -5.230 1.00 0.00 C ATOM 1331 O TYR A 89 13.294 7.749 -5.462 1.00 0.00 O ATOM 1332 CB TYR A 89 13.380 8.836 -2.884 1.00 0.00 C ATOM 1333 CG TYR A 89 12.352 8.072 -2.078 1.00 0.00 C ATOM 1334 CD1 TYR A 89 11.495 7.163 -2.688 1.00 0.00 C ATOM 1335 CD2 TYR A 89 12.239 8.260 -0.705 1.00 0.00 C ATOM 1336 CE1 TYR A 89 10.554 6.465 -1.954 1.00 0.00 C ATOM 1337 CE2 TYR A 89 11.301 7.564 0.035 1.00 0.00 C ATOM 1338 CZ TYR A 89 10.463 6.669 -0.593 1.00 0.00 C ATOM 1339 OH TYR A 89 9.528 5.976 0.141 1.00 0.00 O ATOM 0 H TYR A 89 10.699 9.768 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 89 13.486 10.394 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 89 14.120 8.135 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.908 9.525 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.566 6.999 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.894 8.961 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.894 5.764 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.226 7.721 1.101 1.00 0.00 H new ATOM 0 HH TYR A 89 9.596 6.234 1.084 1.00 0.00 H new ATOM 1349 N TYR A 90 11.454 8.940 -5.971 1.00 0.00 N ATOM 1350 CA TYR A 90 11.110 8.111 -7.118 1.00 0.00 C ATOM 1351 C TYR A 90 11.015 8.952 -8.390 1.00 0.00 C ATOM 1352 O TYR A 90 10.389 10.014 -8.392 1.00 0.00 O ATOM 1353 CB TYR A 90 9.784 7.389 -6.872 1.00 0.00 C ATOM 1354 CG TYR A 90 9.723 6.008 -7.485 1.00 0.00 C ATOM 1355 CD1 TYR A 90 10.416 4.944 -6.919 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.974 5.767 -8.629 1.00 0.00 C ATOM 1357 CE1 TYR A 90 10.363 3.681 -7.477 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.915 4.507 -9.193 1.00 0.00 C ATOM 1359 CZ TYR A 90 9.612 3.467 -8.614 1.00 0.00 C ATOM 1360 OH TYR A 90 9.557 2.212 -9.173 1.00 0.00 O ATOM 0 H TYR A 90 10.809 9.711 -5.797 1.00 0.00 H new ATOM 0 HA TYR A 90 11.900 7.372 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.618 7.308 -5.798 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.971 7.993 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.005 5.107 -6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.428 6.579 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.907 2.865 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.326 4.337 -10.082 1.00 0.00 H new ATOM 0 HH TYR A 90 8.623 1.922 -9.234 1.00 0.00 H new ATOM 1370 N PRO A 91 11.637 8.483 -9.490 1.00 0.00 N ATOM 1371 CA PRO A 91 11.628 9.184 -10.776 1.00 0.00 C ATOM 1372 C PRO A 91 10.365 8.900 -11.585 1.00 0.00 C ATOM 1373 O PRO A 91 9.788 7.819 -11.483 1.00 0.00 O ATOM 1374 CB PRO A 91 12.852 8.606 -11.480 1.00 0.00 C ATOM 1375 CG PRO A 91 12.947 7.208 -10.975 1.00 0.00 C ATOM 1376 CD PRO A 91 12.405 7.223 -9.566 1.00 0.00 C ATOM 0 HA PRO A 91 11.648 10.267 -10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.735 8.630 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.751 9.175 -11.244 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.372 6.528 -11.604 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.980 6.860 -10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.771 6.357 -9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.208 7.200 -8.829 1.00 0.00 H new ATOM 1384 N LYS A 92 9.941 9.883 -12.383 1.00 0.00 N ATOM 1385 CA LYS A 92 8.742 9.752 -13.216 1.00 0.00 C ATOM 1386 C LYS A 92 8.645 8.361 -13.838 1.00 0.00 C ATOM 1387 O LYS A 92 9.203 8.107 -14.905 1.00 0.00 O ATOM 1388 CB LYS A 92 8.747 10.811 -14.321 1.00 0.00 C ATOM 1389 CG LYS A 92 8.646 12.235 -13.801 1.00 0.00 C ATOM 1390 CD LYS A 92 7.248 12.800 -13.986 1.00 0.00 C ATOM 1391 CE LYS A 92 7.138 13.603 -15.273 1.00 0.00 C ATOM 1392 NZ LYS A 92 6.653 12.769 -16.408 1.00 0.00 N ATOM 0 H LYS A 92 10.413 10.783 -12.470 1.00 0.00 H new ATOM 0 HA LYS A 92 7.874 9.901 -12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.662 10.711 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.915 10.621 -14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.911 12.257 -12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.366 12.865 -14.323 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.524 11.985 -14.001 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.996 13.435 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.457 14.441 -15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.112 14.025 -15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.151 13.371 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.463 12.315 -16.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.006 12.038 -16.050 1.00 0.00 H new ATOM 1406 N ARG A 93 7.942 7.462 -13.156 1.00 0.00 N ATOM 1407 CA ARG A 93 7.786 6.092 -13.637 1.00 0.00 C ATOM 1408 C ARG A 93 6.314 5.707 -13.777 1.00 0.00 C ATOM 1409 O ARG A 93 5.419 6.509 -13.514 1.00 0.00 O ATOM 1410 CB ARG A 93 8.491 5.118 -12.690 1.00 0.00 C ATOM 1411 CG ARG A 93 9.364 4.098 -13.404 1.00 0.00 C ATOM 1412 CD ARG A 93 10.394 4.774 -14.295 1.00 0.00 C ATOM 1413 NE ARG A 93 11.654 4.037 -14.329 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.617 4.255 -15.222 1.00 0.00 C ATOM 1415 NH1 ARG A 93 12.468 5.186 -16.155 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.733 3.540 -15.181 1.00 0.00 N ATOM 0 H ARG A 93 7.472 7.656 -12.271 1.00 0.00 H new ATOM 0 HA ARG A 93 8.243 6.035 -14.625 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.107 5.685 -11.992 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.741 4.592 -12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.871 3.473 -12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.738 3.439 -14.005 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.997 4.861 -15.307 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.576 5.787 -13.936 1.00 0.00 H new ATOM 0 HE ARG A 93 11.805 3.312 -13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.612 5.740 -16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.209 5.348 -16.836 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.853 2.823 -14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.471 3.707 -15.865 1.00 0.00 H new ATOM 1430 N TYR A 94 6.081 4.466 -14.195 1.00 0.00 N ATOM 1431 CA TYR A 94 4.730 3.951 -14.375 1.00 0.00 C ATOM 1432 C TYR A 94 4.366 2.969 -13.265 1.00 0.00 C ATOM 1433 O TYR A 94 5.139 2.068 -12.942 1.00 0.00 O ATOM 1434 CB TYR A 94 4.613 3.269 -15.738 1.00 0.00 C ATOM 1435 CG TYR A 94 4.334 4.237 -16.860 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.333 5.069 -17.343 1.00 0.00 C ATOM 1437 CD2 TYR A 94 3.071 4.329 -17.426 1.00 0.00 C ATOM 1438 CE1 TYR A 94 5.084 5.963 -18.362 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.811 5.221 -18.444 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.821 6.038 -18.910 1.00 0.00 C ATOM 1441 OH TYR A 94 3.566 6.930 -19.927 1.00 0.00 O ATOM 0 H TYR A 94 6.817 3.795 -14.416 1.00 0.00 H new ATOM 0 HA TYR A 94 4.034 4.788 -14.329 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.538 2.733 -15.950 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.816 2.527 -15.699 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.322 5.015 -16.914 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.278 3.691 -17.063 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.874 6.601 -18.729 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.822 5.280 -18.875 1.00 0.00 H new ATOM 0 HH TYR A 94 3.508 7.837 -19.560 1.00 0.00 H new ATOM 1451 N GLN A 95 3.182 3.150 -12.682 1.00 0.00 N ATOM 1452 CA GLN A 95 2.718 2.279 -11.605 1.00 0.00 C ATOM 1453 C GLN A 95 1.315 1.750 -11.897 1.00 0.00 C ATOM 1454 O GLN A 95 0.387 2.527 -12.120 1.00 0.00 O ATOM 1455 CB GLN A 95 2.728 3.034 -10.273 1.00 0.00 C ATOM 1456 CG GLN A 95 3.737 2.492 -9.272 1.00 0.00 C ATOM 1457 CD GLN A 95 5.129 3.052 -9.487 1.00 0.00 C ATOM 1458 OE1 GLN A 95 5.571 3.945 -8.762 1.00 0.00 O ATOM 1459 NE2 GLN A 95 5.831 2.529 -10.486 1.00 0.00 N ATOM 0 H GLN A 95 2.528 3.890 -12.937 1.00 0.00 H new ATOM 0 HA GLN A 95 3.398 1.429 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.946 4.085 -10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.732 2.989 -9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.405 2.731 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.771 1.405 -9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.426 1.791 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.775 2.866 -10.677 1.00 0.00 H new ATOM 1468 N SER A 96 1.163 0.425 -11.899 1.00 0.00 N ATOM 1469 CA SER A 96 -0.135 -0.188 -12.175 1.00 0.00 C ATOM 1470 C SER A 96 -0.880 -0.544 -10.887 1.00 0.00 C ATOM 1471 O SER A 96 -0.273 -0.731 -9.834 1.00 0.00 O ATOM 1472 CB SER A 96 0.045 -1.442 -13.031 1.00 0.00 C ATOM 1473 OG SER A 96 -1.068 -1.641 -13.885 1.00 0.00 O ATOM 0 H SER A 96 1.916 -0.238 -11.714 1.00 0.00 H new ATOM 0 HA SER A 96 -0.734 0.543 -12.718 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.953 -1.352 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.172 -2.311 -12.386 1.00 0.00 H new ATOM 0 HG SER A 96 -0.927 -2.448 -14.423 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.205 -0.642 -10.995 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.056 -0.984 -9.857 1.00 0.00 C ATOM 1481 C HIS A 97 -2.862 -0.006 -8.699 1.00 0.00 C ATOM 1482 O HIS A 97 -2.530 -0.409 -7.581 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.769 -2.415 -9.396 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.005 -3.226 -9.162 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.336 -4.331 -9.919 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -4.995 -3.090 -8.248 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.475 -4.837 -9.482 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -5.895 -4.103 -8.468 1.00 0.00 N ATOM 0 H HIS A 97 -2.714 -0.488 -11.865 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.094 -0.913 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.154 -2.913 -10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.186 -2.382 -8.476 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.787 -4.700 -10.695 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.064 -2.326 -7.487 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.977 -5.704 -9.885 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.077 1.281 -8.964 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.925 2.297 -7.928 1.00 0.00 C ATOM 1499 C VAL A 98 -4.206 3.109 -7.753 1.00 0.00 C ATOM 1500 O VAL A 98 -4.830 3.523 -8.727 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.741 3.244 -8.233 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.028 4.126 -9.435 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.405 4.103 -7.029 1.00 0.00 C ATOM 0 H VAL A 98 -3.354 1.641 -9.877 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.716 1.771 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.881 2.616 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.174 4.778 -9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.204 3.501 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.912 4.732 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.569 4.759 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.272 4.705 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.132 3.463 -6.190 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.590 3.335 -6.500 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.789 4.103 -6.190 1.00 0.00 C ATOM 1515 C LEU A 99 -5.406 5.515 -5.771 1.00 0.00 C ATOM 1516 O LEU A 99 -4.353 5.721 -5.172 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.590 3.425 -5.077 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.836 1.929 -5.276 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.695 1.117 -4.681 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.164 1.521 -4.653 1.00 0.00 C ATOM 0 H LEU A 99 -4.085 2.995 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.412 4.151 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.065 3.569 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.553 3.927 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.880 1.726 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.887 0.055 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.760 1.390 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.619 1.324 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.324 0.453 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.147 1.738 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.973 2.079 -5.124 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.249 6.490 -6.095 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.949 7.874 -5.745 1.00 0.00 C ATOM 1534 C LEU A 100 -7.139 8.589 -5.113 1.00 0.00 C ATOM 1535 O LEU A 100 -8.284 8.424 -5.537 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.464 8.636 -6.979 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.943 8.780 -7.079 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.550 9.444 -8.387 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.407 9.576 -5.898 1.00 0.00 C ATOM 0 H LEU A 100 -7.130 6.352 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.157 7.852 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.827 8.126 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.911 9.630 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.503 7.783 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.465 9.536 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.901 8.838 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.001 10.435 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.324 9.670 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.858 10.568 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.654 9.061 -4.970 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.844 9.393 -4.094 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.860 10.161 -3.381 1.00 0.00 C ATOM 1553 C ALA A 101 -7.306 11.515 -2.965 1.00 0.00 C ATOM 1554 O ALA A 101 -6.109 11.656 -2.737 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.339 9.407 -2.154 1.00 0.00 C ATOM 0 H ALA A 101 -5.897 9.530 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.704 10.311 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.096 9.997 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.768 8.452 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.497 9.230 -1.484 1.00 0.00 H new ATOM 1561 N THR A 102 -8.175 12.509 -2.865 1.00 0.00 N ATOM 1562 CA THR A 102 -7.752 13.848 -2.475 1.00 0.00 C ATOM 1563 C THR A 102 -8.280 14.213 -1.091 1.00 0.00 C ATOM 1564 O THR A 102 -9.421 13.902 -0.748 1.00 0.00 O ATOM 1565 CB THR A 102 -8.229 14.867 -3.506 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.121 16.186 -2.999 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.665 14.653 -3.931 1.00 0.00 C ATOM 0 H THR A 102 -9.174 12.416 -3.047 1.00 0.00 H new ATOM 0 HA THR A 102 -6.663 13.862 -2.434 1.00 0.00 H new ATOM 0 HB THR A 102 -7.583 14.727 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.203 16.345 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.944 15.409 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.770 13.662 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.318 14.733 -3.062 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.441 14.877 -0.302 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.836 15.277 1.038 1.00 0.00 C ATOM 1577 C GLY A 103 -7.515 16.729 1.327 1.00 0.00 C ATOM 1578 O GLY A 103 -8.384 17.596 1.231 1.00 0.00 O ATOM 0 H GLY A 103 -6.493 15.146 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.906 15.113 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.330 14.644 1.767 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.263 16.996 1.685 1.00 0.00 N ATOM 1583 CA PHE A 104 -5.828 18.353 1.990 1.00 0.00 C ATOM 1584 C PHE A 104 -4.642 18.752 1.117 1.00 0.00 C ATOM 1585 O PHE A 104 -3.920 17.897 0.604 1.00 0.00 O ATOM 1586 CB PHE A 104 -5.453 18.469 3.471 1.00 0.00 C ATOM 1587 CG PHE A 104 -6.365 19.372 4.252 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -7.735 19.170 4.243 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -5.850 20.422 4.994 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -8.576 19.998 4.960 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -6.687 21.255 5.714 1.00 0.00 C ATOM 1592 CZ PHE A 104 -8.051 21.042 5.697 1.00 0.00 C ATOM 0 H PHE A 104 -5.532 16.290 1.771 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.654 19.031 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.467 17.476 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.431 18.841 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.151 18.355 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.784 20.592 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.643 19.830 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.274 22.071 6.289 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.707 21.691 6.259 1.00 0.00 H new ATOM 1602 N SER A 105 -4.447 20.057 0.951 1.00 0.00 N ATOM 1603 CA SER A 105 -3.349 20.569 0.140 1.00 0.00 C ATOM 1604 C SER A 105 -2.039 20.544 0.921 1.00 0.00 C ATOM 1605 O SER A 105 -1.729 21.479 1.660 1.00 0.00 O ATOM 1606 CB SER A 105 -3.653 21.993 -0.325 1.00 0.00 C ATOM 1607 OG SER A 105 -3.150 22.221 -1.631 1.00 0.00 O ATOM 0 H SER A 105 -5.035 20.778 1.368 1.00 0.00 H new ATOM 0 HA SER A 105 -3.243 19.925 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.730 22.161 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.210 22.708 0.369 1.00 0.00 H new ATOM 0 HG SER A 105 -3.359 23.138 -1.906 1.00 0.00 H new ATOM 1613 N GLU A 106 -1.275 19.471 0.753 1.00 0.00 N ATOM 1614 CA GLU A 106 0.001 19.326 1.443 1.00 0.00 C ATOM 1615 C GLU A 106 0.765 18.108 0.924 1.00 0.00 C ATOM 1616 O GLU A 106 0.163 17.141 0.458 1.00 0.00 O ATOM 1617 CB GLU A 106 -0.225 19.203 2.952 1.00 0.00 C ATOM 1618 CG GLU A 106 0.222 20.426 3.736 1.00 0.00 C ATOM 1619 CD GLU A 106 0.100 20.234 5.235 1.00 0.00 C ATOM 1620 OE1 GLU A 106 0.846 19.399 5.789 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -0.742 20.917 5.855 1.00 0.00 O ATOM 0 H GLU A 106 -1.517 18.689 0.145 1.00 0.00 H new ATOM 0 HA GLU A 106 0.599 20.215 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.285 19.029 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.312 18.329 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.258 20.655 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.376 21.286 3.434 1.00 0.00 H new ATOM 1628 N PRO A 107 2.107 18.141 1.002 1.00 0.00 N ATOM 1629 CA PRO A 107 2.949 17.033 0.538 1.00 0.00 C ATOM 1630 C PRO A 107 2.529 15.696 1.140 1.00 0.00 C ATOM 1631 O PRO A 107 2.174 14.764 0.419 1.00 0.00 O ATOM 1632 CB PRO A 107 4.347 17.422 1.023 1.00 0.00 C ATOM 1633 CG PRO A 107 4.310 18.906 1.137 1.00 0.00 C ATOM 1634 CD PRO A 107 2.905 19.255 1.545 1.00 0.00 C ATOM 0 HA PRO A 107 2.881 16.893 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.577 16.957 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.114 17.098 0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.030 19.259 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.569 19.377 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 107 2.807 19.329 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.592 20.213 1.130 1.00 0.00 H new ATOM 1642 N GLY A 108 2.569 15.612 2.465 1.00 0.00 N ATOM 1643 CA GLY A 108 2.188 14.387 3.144 1.00 0.00 C ATOM 1644 C GLY A 108 3.333 13.774 3.926 1.00 0.00 C ATOM 1645 O GLY A 108 3.240 13.602 5.142 1.00 0.00 O ATOM 0 H GLY A 108 2.859 16.371 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.360 14.594 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.827 13.666 2.410 1.00 0.00 H new ATOM 1649 N ASP A 109 4.414 13.444 3.230 1.00 0.00 N ATOM 1650 CA ASP A 109 5.581 12.845 3.866 1.00 0.00 C ATOM 1651 C ASP A 109 5.223 11.510 4.513 1.00 0.00 C ATOM 1652 O ASP A 109 4.049 11.153 4.613 1.00 0.00 O ATOM 1653 CB ASP A 109 6.160 13.795 4.918 1.00 0.00 C ATOM 1654 CG ASP A 109 7.637 13.556 5.163 1.00 0.00 C ATOM 1655 OD1 ASP A 109 8.439 13.810 4.240 1.00 0.00 O ATOM 1656 OD2 ASP A 109 7.991 13.114 6.276 1.00 0.00 O ATOM 0 H ASP A 109 4.507 13.581 2.224 1.00 0.00 H new ATOM 0 HA ASP A 109 6.331 12.666 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.010 14.825 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.615 13.672 5.854 1.00 0.00 H new ATOM 1661 N ALA A 110 6.242 10.777 4.949 1.00 0.00 N ATOM 1662 CA ALA A 110 6.035 9.482 5.586 1.00 0.00 C ATOM 1663 C ALA A 110 5.360 8.505 4.631 1.00 0.00 C ATOM 1664 O ALA A 110 5.190 8.795 3.447 1.00 0.00 O ATOM 1665 CB ALA A 110 5.208 9.641 6.853 1.00 0.00 C ATOM 0 H ALA A 110 7.220 11.058 4.873 1.00 0.00 H new ATOM 0 HA ALA A 110 7.011 9.076 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.062 8.666 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.730 10.299 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.239 10.073 6.603 1.00 0.00 H new ATOM 1671 N GLY A 111 4.977 7.344 5.154 1.00 0.00 N ATOM 1672 CA GLY A 111 4.324 6.342 4.333 1.00 0.00 C ATOM 1673 C GLY A 111 3.475 5.388 5.150 1.00 0.00 C ATOM 1674 O GLY A 111 3.917 4.880 6.181 1.00 0.00 O ATOM 0 H GLY A 111 5.107 7.080 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.698 6.837 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.079 5.776 3.787 1.00 0.00 H new ATOM 1678 N GLY A 112 2.253 5.143 4.688 1.00 0.00 N ATOM 1679 CA GLY A 112 1.360 4.245 5.394 1.00 0.00 C ATOM 1680 C GLY A 112 0.596 3.332 4.454 1.00 0.00 C ATOM 1681 O GLY A 112 0.988 3.147 3.302 1.00 0.00 O ATOM 0 H GLY A 112 1.866 5.551 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.936 3.641 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.653 4.829 5.983 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.498 2.760 4.946 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.318 1.863 4.141 1.00 0.00 C ATOM 1687 C ILE A 113 -2.775 2.312 4.128 1.00 0.00 C ATOM 1688 O ILE A 113 -3.279 2.843 5.117 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.246 0.414 4.662 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.692 0.352 6.123 1.00 0.00 C ATOM 1691 CG2 ILE A 113 0.165 -0.135 4.509 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -1.658 -1.044 6.707 1.00 0.00 C ATOM 0 H ILE A 113 -0.837 2.902 5.898 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.920 1.898 3.127 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.921 -0.203 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.050 1.002 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.705 0.746 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.199 -1.159 4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.448 -0.122 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.859 0.482 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.987 -1.012 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.322 -1.693 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.641 -1.433 6.660 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.448 2.092 3.003 1.00 0.00 N ATOM 1705 CA LEU A 114 -4.850 2.472 2.869 1.00 0.00 C ATOM 1706 C LEU A 114 -5.754 1.347 3.358 1.00 0.00 C ATOM 1707 O LEU A 114 -5.803 0.272 2.761 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.167 2.813 1.408 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.655 2.838 1.040 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.447 3.666 2.039 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -6.844 3.379 -0.370 1.00 0.00 C ATOM 0 H LEU A 114 -3.047 1.654 2.174 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.033 3.354 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.739 3.789 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.665 2.088 0.768 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.031 1.816 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.500 3.668 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.340 3.235 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.070 4.689 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.906 3.390 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.447 4.393 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.314 2.742 -1.078 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.467 1.600 4.452 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.366 0.604 5.020 1.00 0.00 C ATOM 1725 C ARG A 115 -8.806 1.100 5.027 1.00 0.00 C ATOM 1726 O ARG A 115 -9.070 2.261 5.337 1.00 0.00 O ATOM 1727 CB ARG A 115 -6.932 0.247 6.443 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.812 1.452 7.365 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.442 1.524 8.024 1.00 0.00 C ATOM 1730 NE ARG A 115 -5.539 1.722 9.467 1.00 0.00 N ATOM 1731 CZ ARG A 115 -5.817 2.891 10.040 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -6.025 3.970 9.294 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -5.887 2.983 11.360 1.00 0.00 N ATOM 0 H ARG A 115 -6.439 2.484 4.960 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.315 -0.287 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.650 -0.454 6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.971 -0.266 6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.990 2.364 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.583 1.400 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.893 0.605 7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.870 2.341 7.584 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.384 0.916 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.972 3.905 8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.238 4.863 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.728 2.158 11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.100 3.879 11.798 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.737 0.209 4.701 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.151 0.558 4.691 1.00 0.00 C ATOM 1749 C CYS A 116 -11.852 -0.052 5.899 1.00 0.00 C ATOM 1750 O CYS A 116 -11.295 -0.912 6.581 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.817 0.094 3.389 1.00 0.00 C ATOM 1752 SG CYS A 116 -11.961 -1.716 3.209 1.00 0.00 S ATOM 0 H CYS A 116 -9.537 -0.757 4.441 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.239 1.643 4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -12.814 0.532 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.247 0.485 2.546 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.072 0.399 6.166 1.00 0.00 N ATOM 1758 CA GLU A 117 -13.841 -0.103 7.302 1.00 0.00 C ATOM 1759 C GLU A 117 -13.993 -1.622 7.243 1.00 0.00 C ATOM 1760 O GLU A 117 -14.279 -2.265 8.253 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.220 0.556 7.340 1.00 0.00 C ATOM 1762 CG GLU A 117 -15.188 2.012 7.774 1.00 0.00 C ATOM 1763 CD GLU A 117 -14.527 2.202 9.125 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -13.283 2.300 9.170 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -15.254 2.254 10.139 1.00 0.00 O ATOM 0 H GLU A 117 -13.551 1.110 5.613 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.295 0.149 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.672 0.491 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.862 -0.003 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.654 2.599 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.207 2.398 7.814 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.811 -2.190 6.054 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.938 -3.630 5.867 1.00 0.00 C ATOM 1774 C HIS A 118 -12.598 -4.348 6.054 1.00 0.00 C ATOM 1775 O HIS A 118 -12.567 -5.544 6.342 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.509 -3.927 4.477 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.631 -3.015 4.078 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.517 -2.081 3.070 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.893 -2.896 4.556 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -16.657 -1.427 2.945 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.509 -1.903 3.834 1.00 0.00 N ATOM 0 H HIS A 118 -13.575 -1.674 5.206 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.621 -4.007 6.628 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.709 -3.848 3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.864 -4.957 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.333 -3.474 5.355 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -16.858 -0.637 2.236 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.469 -1.585 3.964 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.493 -3.619 5.896 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.177 -4.227 6.059 1.00 0.00 C ATOM 1791 C GLY A 119 -9.057 -3.391 5.470 1.00 0.00 C ATOM 1792 O GLY A 119 -9.086 -2.162 5.530 1.00 0.00 O ATOM 0 H GLY A 119 -11.483 -2.627 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.985 -4.384 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.176 -5.209 5.586 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.066 -4.072 4.905 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.915 -3.411 4.298 1.00 0.00 C ATOM 1798 C VAL A 120 -7.056 -3.346 2.781 1.00 0.00 C ATOM 1799 O VAL A 120 -7.431 -4.328 2.142 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.594 -4.136 4.634 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.406 -3.237 4.349 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.578 -4.612 6.080 1.00 0.00 C ATOM 0 H VAL A 120 -8.037 -5.090 4.854 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.886 -2.403 4.712 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.521 -5.016 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.484 -3.765 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.401 -2.964 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.478 -2.335 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.635 -5.119 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.683 -3.756 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.405 -5.303 6.245 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.750 -2.189 2.207 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.840 -2.009 0.763 1.00 0.00 C ATOM 1814 C ILE A 121 -5.479 -2.201 0.103 1.00 0.00 C ATOM 1815 O ILE A 121 -5.271 -3.154 -0.650 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.370 -0.612 0.395 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.655 -0.301 1.181 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.590 -0.510 -1.112 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.936 -0.472 0.387 1.00 0.00 C ATOM 0 H ILE A 121 -6.438 -1.363 2.718 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.538 -2.763 0.399 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.627 0.135 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -8.696 -0.949 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.603 0.725 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.965 0.483 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.646 -0.680 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.316 -1.260 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.791 -0.232 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.922 0.196 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.017 -1.504 0.044 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.556 -1.286 0.384 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.231 -1.369 -0.196 1.00 0.00 C ATOM 1833 C GLY A 122 -2.179 -0.661 0.636 1.00 0.00 C ATOM 1834 O GLY A 122 -2.334 -0.511 1.848 1.00 0.00 O ATOM 0 H GLY A 122 -4.704 -0.489 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.954 -2.417 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.249 -0.935 -1.196 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.107 -0.221 -0.019 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.025 0.477 0.670 1.00 0.00 C ATOM 1840 C LEU A 123 0.339 1.773 -0.051 1.00 0.00 C ATOM 1841 O LEU A 123 -0.039 1.986 -1.203 1.00 0.00 O ATOM 1842 CB LEU A 123 1.205 -0.432 0.817 1.00 0.00 C ATOM 1843 CG LEU A 123 2.068 -0.617 -0.439 1.00 0.00 C ATOM 1844 CD1 LEU A 123 1.204 -0.895 -1.657 1.00 0.00 C ATOM 1845 CD2 LEU A 123 2.947 0.603 -0.671 1.00 0.00 C ATOM 0 H LEU A 123 -0.965 -0.335 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.376 0.737 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.836 -0.029 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.867 -1.414 1.148 1.00 0.00 H new ATOM 0 HG LEU A 123 2.714 -1.480 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.840 -1.022 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.626 -1.805 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.525 -0.058 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.551 0.452 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.319 1.484 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 123 3.602 0.748 0.188 1.00 0.00 H new ATOM 1857 N VAL A 124 1.066 2.641 0.646 1.00 0.00 N ATOM 1858 CA VAL A 124 1.476 3.929 0.096 1.00 0.00 C ATOM 1859 C VAL A 124 2.288 3.779 -1.189 1.00 0.00 C ATOM 1860 O VAL A 124 3.403 3.257 -1.175 1.00 0.00 O ATOM 1861 CB VAL A 124 2.304 4.731 1.121 1.00 0.00 C ATOM 1862 CG1 VAL A 124 3.599 4.004 1.455 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.591 6.134 0.602 1.00 0.00 C ATOM 0 H VAL A 124 1.385 2.474 1.600 1.00 0.00 H new ATOM 0 HA VAL A 124 0.557 4.467 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 124 1.719 4.820 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.167 4.587 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.369 3.026 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.190 3.878 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.176 6.682 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.152 6.069 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.651 6.656 0.424 1.00 0.00 H new ATOM 1873 N THR A 125 1.729 4.268 -2.294 1.00 0.00 N ATOM 1874 CA THR A 125 2.410 4.217 -3.583 1.00 0.00 C ATOM 1875 C THR A 125 3.011 5.588 -3.898 1.00 0.00 C ATOM 1876 O THR A 125 4.171 5.846 -3.579 1.00 0.00 O ATOM 1877 CB THR A 125 1.446 3.766 -4.693 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.330 2.356 -4.706 1.00 0.00 O ATOM 1879 CG2 THR A 125 1.869 4.194 -6.086 1.00 0.00 C ATOM 0 H THR A 125 0.807 4.703 -2.321 1.00 0.00 H new ATOM 0 HA THR A 125 3.215 3.484 -3.532 1.00 0.00 H new ATOM 0 HB THR A 125 0.499 4.251 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.224 1.954 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.139 3.839 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.926 5.282 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.846 3.770 -6.316 1.00 0.00 H new ATOM 1887 N MET A 126 2.224 6.469 -4.517 1.00 0.00 N ATOM 1888 CA MET A 126 2.711 7.804 -4.848 1.00 0.00 C ATOM 1889 C MET A 126 1.677 8.876 -4.519 1.00 0.00 C ATOM 1890 O MET A 126 0.515 8.775 -4.907 1.00 0.00 O ATOM 1891 CB MET A 126 3.099 7.877 -6.323 1.00 0.00 C ATOM 1892 CG MET A 126 4.593 8.011 -6.539 1.00 0.00 C ATOM 1893 SD MET A 126 5.068 9.665 -7.072 1.00 0.00 S ATOM 1894 CE MET A 126 6.587 9.871 -6.156 1.00 0.00 C ATOM 0 H MET A 126 1.260 6.284 -4.795 1.00 0.00 H new ATOM 0 HA MET A 126 3.594 7.996 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.744 6.980 -6.831 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.594 8.726 -6.784 1.00 0.00 H new ATOM 0 HG2 MET A 126 5.114 7.768 -5.613 1.00 0.00 H new ATOM 0 HG3 MET A 126 4.915 7.286 -7.286 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.195 10.643 -6.628 1.00 0.00 H new ATOM 0 HE2 MET A 126 6.357 10.165 -5.132 1.00 0.00 H new ATOM 0 HE3 MET A 126 7.138 8.930 -6.148 1.00 0.00 H new ATOM 1904 N GLY A 127 2.111 9.907 -3.801 1.00 0.00 N ATOM 1905 CA GLY A 127 1.214 10.985 -3.433 1.00 0.00 C ATOM 1906 C GLY A 127 1.511 12.271 -4.177 1.00 0.00 C ATOM 1907 O GLY A 127 2.659 12.544 -4.524 1.00 0.00 O ATOM 0 H GLY A 127 3.069 10.014 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.186 10.682 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.289 11.165 -2.361 1.00 0.00 H new ATOM 1911 N GLY A 128 0.472 13.065 -4.420 1.00 0.00 N ATOM 1912 CA GLY A 128 0.647 14.323 -5.123 1.00 0.00 C ATOM 1913 C GLY A 128 0.580 15.518 -4.196 1.00 0.00 C ATOM 1914 O GLY A 128 0.817 15.397 -2.994 1.00 0.00 O ATOM 0 H GLY A 128 -0.488 12.859 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.609 14.318 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.122 14.418 -5.889 1.00 0.00 H new ATOM 1918 N GLU A 129 0.255 16.678 -4.757 1.00 0.00 N ATOM 1919 CA GLU A 129 0.156 17.904 -3.976 1.00 0.00 C ATOM 1920 C GLU A 129 -1.081 17.889 -3.080 1.00 0.00 C ATOM 1921 O GLU A 129 -1.161 18.637 -2.106 1.00 0.00 O ATOM 1922 CB GLU A 129 0.106 19.118 -4.905 1.00 0.00 C ATOM 1923 CG GLU A 129 -1.007 19.045 -5.938 1.00 0.00 C ATOM 1924 CD GLU A 129 -0.669 19.795 -7.211 1.00 0.00 C ATOM 1925 OE1 GLU A 129 -0.164 20.933 -7.112 1.00 0.00 O ATOM 1926 OE2 GLU A 129 -0.911 19.245 -8.306 1.00 0.00 O ATOM 0 H GLU A 129 0.056 16.794 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 129 1.039 17.970 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.024 20.019 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.063 19.212 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -1.207 18.001 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.922 19.455 -5.511 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.043 17.033 -3.413 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.258 16.943 -2.623 1.00 0.00 C ATOM 1935 C GLY A 130 -3.993 15.627 -2.813 1.00 0.00 C ATOM 1936 O GLY A 130 -5.166 15.510 -2.454 1.00 0.00 O ATOM 0 H GLY A 130 -2.003 16.402 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.009 17.065 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.921 17.765 -2.891 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.308 14.633 -3.373 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.912 13.325 -3.601 1.00 0.00 C ATOM 1942 C VAL A 131 -3.059 12.218 -2.987 1.00 0.00 C ATOM 1943 O VAL A 131 -1.861 12.396 -2.765 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.115 13.029 -5.104 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.335 12.145 -5.313 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.244 14.316 -5.907 1.00 0.00 C ATOM 0 H VAL A 131 -2.337 14.709 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.890 13.348 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.234 12.497 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.463 11.947 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.197 11.203 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.221 12.651 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.386 14.075 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.101 14.885 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.338 14.910 -5.790 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.686 11.079 -2.707 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.987 9.947 -2.109 1.00 0.00 C ATOM 1958 C VAL A 132 -2.989 8.738 -3.040 1.00 0.00 C ATOM 1959 O VAL A 132 -4.045 8.203 -3.366 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.642 9.545 -0.771 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.632 10.711 0.206 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.067 9.053 -0.996 1.00 0.00 C ATOM 0 H VAL A 132 -4.677 10.916 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.958 10.262 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.059 8.731 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.099 10.405 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.603 11.017 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.187 11.547 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.511 8.775 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.658 9.847 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.052 8.185 -1.656 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.803 8.298 -3.449 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.707 7.142 -4.325 1.00 0.00 C ATOM 1974 C GLY A 133 -1.357 5.880 -3.563 1.00 0.00 C ATOM 1975 O GLY A 133 -0.265 5.767 -3.006 1.00 0.00 O ATOM 0 H GLY A 133 -0.910 8.718 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.655 7.001 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.950 7.327 -5.088 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.288 4.933 -3.526 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.074 3.680 -2.812 1.00 0.00 C ATOM 1981 C PHE A 134 -2.126 2.485 -3.759 1.00 0.00 C ATOM 1982 O PHE A 134 -2.986 2.413 -4.632 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.128 3.516 -1.714 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.115 4.628 -0.708 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -1.990 4.857 0.065 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.219 5.451 -0.539 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -1.961 5.884 0.986 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.196 6.478 0.385 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.066 6.695 1.147 1.00 0.00 C ATOM 0 H PHE A 134 -3.197 5.009 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.081 3.715 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.115 3.462 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.963 2.569 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.123 4.224 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.105 5.287 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.075 6.053 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.062 7.111 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.046 7.498 1.868 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.212 1.541 -3.569 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.175 0.343 -4.398 1.00 0.00 C ATOM 2001 C ALA A 135 -2.070 -0.728 -3.790 1.00 0.00 C ATOM 2002 O ALA A 135 -1.825 -1.196 -2.680 1.00 0.00 O ATOM 2003 CB ALA A 135 0.254 -0.159 -4.545 1.00 0.00 C ATOM 0 H ALA A 135 -0.489 1.582 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.547 0.584 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.263 -1.054 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.865 0.614 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.659 -0.397 -3.561 1.00 0.00 H new ATOM 2009 N ASP A 136 -3.125 -1.086 -4.511 1.00 0.00 N ATOM 2010 CA ASP A 136 -4.085 -2.073 -4.026 1.00 0.00 C ATOM 2011 C ASP A 136 -3.483 -3.470 -3.926 1.00 0.00 C ATOM 2012 O ASP A 136 -2.703 -3.892 -4.780 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.311 -2.105 -4.939 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.608 -2.215 -4.161 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.590 -2.799 -3.057 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.642 -1.716 -4.655 1.00 0.00 O ATOM 0 H ASP A 136 -3.339 -0.708 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.377 -1.769 -3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.331 -1.201 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.229 -2.949 -5.624 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.878 -4.187 -2.875 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.415 -5.550 -2.644 1.00 0.00 C ATOM 2023 C VAL A 137 -4.351 -6.554 -3.322 1.00 0.00 C ATOM 2024 O VAL A 137 -4.250 -7.760 -3.106 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.339 -5.861 -1.131 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.811 -7.267 -0.883 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.475 -4.833 -0.414 1.00 0.00 C ATOM 0 H VAL A 137 -4.524 -3.840 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.416 -5.639 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.350 -5.806 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.769 -7.456 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.474 -7.993 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.811 -7.360 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.434 -5.070 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.467 -4.852 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.904 -3.840 -0.548 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.264 -6.041 -4.146 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.222 -6.879 -4.858 1.00 0.00 C ATOM 2039 C ARG A 138 -5.546 -7.700 -5.956 1.00 0.00 C ATOM 2040 O ARG A 138 -6.180 -8.553 -6.579 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.325 -6.009 -5.464 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.928 -5.014 -4.483 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.265 -5.499 -3.948 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.327 -5.391 -4.946 1.00 0.00 N ATOM 2045 CZ ARG A 138 -11.473 -6.064 -4.887 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -11.713 -6.895 -3.879 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -12.385 -5.906 -5.836 1.00 0.00 N ATOM 0 H ARG A 138 -5.359 -5.043 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.656 -7.574 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.919 -5.465 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.116 -6.654 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.239 -4.856 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.060 -4.051 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.172 -6.537 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.535 -4.917 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.181 -4.762 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -11.017 -7.020 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -12.594 -7.408 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -12.208 -5.268 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -13.263 -6.422 -5.790 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.261 -7.443 -6.197 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.521 -8.165 -7.225 1.00 0.00 C ATOM 2063 C ASP A 139 -2.698 -9.303 -6.625 1.00 0.00 C ATOM 2064 O ASP A 139 -1.854 -9.889 -7.304 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.603 -7.207 -7.984 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.560 -6.574 -7.082 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -0.506 -7.206 -6.860 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -1.798 -5.447 -6.599 1.00 0.00 O ATOM 0 H ASP A 139 -3.715 -6.743 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 139 -4.246 -8.597 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.105 -7.746 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -3.202 -6.424 -8.448 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.940 -9.612 -5.354 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.212 -10.677 -4.678 1.00 0.00 C ATOM 2075 C LEU A 140 -2.733 -10.865 -3.258 1.00 0.00 C ATOM 2076 O LEU A 140 -1.962 -10.944 -2.307 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.701 -10.379 -4.666 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.245 -9.115 -3.912 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.330 -8.050 -3.873 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.195 -9.464 -2.502 1.00 0.00 C ATOM 0 H LEU A 140 -3.634 -9.140 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.373 -11.604 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.190 -11.237 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.363 -10.298 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 140 0.602 -8.703 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.964 -7.177 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.593 -7.762 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.211 -8.447 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.513 -8.558 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.637 -9.916 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.025 -10.169 -2.544 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.054 -10.931 -3.127 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.690 -11.102 -1.827 1.00 0.00 C ATOM 2094 C LEU A 141 -4.382 -12.465 -1.210 1.00 0.00 C ATOM 2095 O LEU A 141 -4.622 -12.678 -0.023 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.203 -10.913 -1.941 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.789 -9.855 -1.004 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.168 -9.945 0.384 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.598 -8.462 -1.588 1.00 0.00 C ATOM 0 H LEU A 141 -4.706 -10.868 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.278 -10.338 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.445 -10.642 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.691 -11.867 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.857 -10.047 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.604 -9.181 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.363 -10.930 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.092 -9.788 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.021 -7.722 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.534 -8.266 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.102 -8.399 -2.552 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.867 -13.390 -2.016 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.546 -14.731 -1.529 1.00 0.00 C ATOM 2113 C TRP A 142 -2.618 -14.680 -0.313 1.00 0.00 C ATOM 2114 O TRP A 142 -1.406 -14.859 -0.431 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.918 -15.581 -2.641 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.764 -14.927 -3.337 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.818 -13.904 -4.241 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.379 -15.265 -3.197 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.552 -13.579 -4.661 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.347 -14.400 -4.036 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.317 -16.212 -2.441 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.733 -14.455 -4.138 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.694 -16.265 -2.544 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.390 -15.390 -3.387 1.00 0.00 C ATOM 0 H TRP A 142 -3.664 -13.238 -3.004 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.482 -15.197 -1.219 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.582 -16.526 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.685 -15.819 -3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.724 -13.422 -4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.319 -12.845 -5.330 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.212 -16.890 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.272 -13.782 -4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.242 -16.993 -1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.466 -15.455 -3.445 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.212 -14.451 0.855 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.474 -14.389 2.113 1.00 0.00 C ATOM 2137 C LEU A 143 -3.360 -14.867 3.261 1.00 0.00 C ATOM 2138 O LEU A 143 -2.925 -15.634 4.119 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.982 -12.961 2.402 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.083 -12.330 1.332 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.926 -11.641 0.277 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.116 -11.339 1.964 1.00 0.00 C ATOM 0 H LEU A 143 -4.216 -14.303 0.956 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.604 -15.040 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.852 -12.320 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.438 -12.970 3.346 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.505 -13.122 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.275 -11.197 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.584 -12.370 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.526 -10.860 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.514 -10.901 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.678 -10.550 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.510 -11.855 2.692 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.609 -14.408 3.259 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.572 -14.785 4.289 1.00 0.00 C ATOM 2156 C GLU A 144 -6.995 -14.724 3.737 1.00 0.00 C ATOM 2157 O GLU A 144 -7.195 -14.566 2.533 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.439 -13.862 5.503 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.553 -14.428 6.602 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.791 -13.760 7.942 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -5.927 -13.298 8.183 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -3.842 -13.700 8.753 1.00 0.00 O ATOM 0 H GLU A 144 -4.978 -13.772 2.552 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.362 -15.808 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -5.034 -12.904 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.431 -13.667 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.735 -15.499 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.507 -14.306 6.320 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.980 -14.852 4.621 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.380 -14.811 4.215 1.00 0.00 C ATOM 2171 C ASP A 145 -9.708 -13.489 3.523 1.00 0.00 C ATOM 2172 O ASP A 145 -9.361 -12.416 4.017 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.290 -15.006 5.429 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.790 -16.431 5.553 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -10.032 -17.360 5.202 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -11.940 -16.620 6.003 1.00 0.00 O ATOM 0 H ASP A 145 -7.834 -14.985 5.622 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.552 -15.622 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.747 -14.734 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -11.142 -14.330 5.353 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.377 -13.577 2.378 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.752 -12.390 1.614 1.00 0.00 C ATOM 2183 C ASP A 146 -12.169 -11.942 1.960 1.00 0.00 C ATOM 2184 O ASP A 146 -12.999 -12.749 2.382 1.00 0.00 O ATOM 2185 CB ASP A 146 -10.646 -12.670 0.114 1.00 0.00 C ATOM 2186 CG ASP A 146 -11.361 -13.945 -0.289 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -12.606 -13.979 -0.206 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -10.675 -14.909 -0.688 1.00 0.00 O ATOM 0 H ASP A 146 -10.671 -14.458 1.957 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.063 -11.587 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.066 -11.831 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -9.595 -12.742 -0.166 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.440 -10.653 1.778 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.757 -10.101 2.071 1.00 0.00 C ATOM 2195 C ALA A 147 -14.776 -10.527 1.021 1.00 0.00 C ATOM 2196 O ALA A 147 -14.438 -10.706 -0.149 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.684 -8.583 2.155 1.00 0.00 C ATOM 0 H ALA A 147 -11.765 -9.972 1.429 1.00 0.00 H new ATOM 0 HA ALA A 147 -14.083 -10.492 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.674 -8.183 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.993 -8.295 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -13.333 -8.182 1.204 1.00 0.00 H new ATOM 2203 N MET A 148 -16.025 -10.687 1.446 1.00 0.00 N ATOM 2204 CA MET A 148 -17.094 -11.093 0.540 1.00 0.00 C ATOM 2205 C MET A 148 -18.302 -10.172 0.678 1.00 0.00 C ATOM 2206 O MET A 148 -18.907 -10.079 1.747 1.00 0.00 O ATOM 2207 CB MET A 148 -17.503 -12.542 0.819 1.00 0.00 C ATOM 2208 CG MET A 148 -17.021 -13.522 -0.237 1.00 0.00 C ATOM 2209 SD MET A 148 -18.230 -13.780 -1.550 1.00 0.00 S ATOM 2210 CE MET A 148 -17.215 -14.573 -2.794 1.00 0.00 C ATOM 0 H MET A 148 -16.322 -10.542 2.411 1.00 0.00 H new ATOM 0 HA MET A 148 -16.721 -11.020 -0.482 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.108 -12.842 1.789 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.589 -12.598 0.886 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.092 -13.154 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.795 -14.478 0.236 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.822 -14.796 -3.671 1.00 0.00 H new ATOM 0 HE2 MET A 148 -16.400 -13.907 -3.077 1.00 0.00 H new ATOM 0 HE3 MET A 148 -16.804 -15.499 -2.392 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.650 -9.493 -0.411 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.786 -8.580 -0.412 1.00 0.00 C ATOM 2222 C GLU A 149 -20.868 -9.059 -1.375 1.00 0.00 C ATOM 2223 O GLU A 149 -21.595 -8.254 -1.958 1.00 0.00 O ATOM 2224 CB GLU A 149 -19.333 -7.170 -0.797 1.00 0.00 C ATOM 2225 CG GLU A 149 -20.104 -6.068 -0.088 1.00 0.00 C ATOM 2226 CD GLU A 149 -19.443 -5.632 1.205 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -18.572 -4.738 1.154 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -19.795 -6.185 2.268 1.00 0.00 O ATOM 0 H GLU A 149 -18.161 -9.558 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.204 -8.558 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -18.272 -7.064 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -19.443 -7.044 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -20.196 -5.209 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -21.115 -6.416 0.125 1.00 0.00 H new ATOM 2235 N GLN A 150 -20.969 -10.374 -1.537 1.00 0.00 N ATOM 2236 CA GLN A 150 -21.963 -10.960 -2.430 1.00 0.00 C ATOM 2237 C GLN A 150 -21.763 -10.473 -3.861 1.00 0.00 C ATOM 2238 O GLN A 150 -22.710 -10.597 -4.665 1.00 0.00 O ATOM 2239 CB GLN A 150 -23.374 -10.614 -1.953 1.00 0.00 C ATOM 2240 CG GLN A 150 -24.449 -11.522 -2.526 1.00 0.00 C ATOM 2241 CD GLN A 150 -25.497 -11.907 -1.499 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -26.039 -11.054 -0.797 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -25.787 -13.200 -1.406 1.00 0.00 N ATOM 2244 OXT GLN A 150 -20.660 -9.971 -4.166 1.00 0.00 O ATOM 0 H GLN A 150 -20.375 -11.054 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 150 -21.837 -12.043 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -23.405 -10.670 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -23.598 -9.583 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -24.934 -11.021 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -23.984 -12.425 -2.921 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -25.313 -13.873 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -26.483 -13.519 -0.733 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -13.790 -2.194 1.888 1.00 0.00 ZN