USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.8) USER MOD Set 1.2: A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.15 (180deg=-0.293) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.6!) USER MOD Single : A 19 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -6.07! C(o=-6.7!,f=-6.1!) USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 34 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= -8.93! C(o=-8.9!,f=-13!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -133:sc= -0.025 (180deg=-1.76!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0733 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 33:sc= 0.537 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.128) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0306 F(o=-1.8!,f=-0.031) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.63 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= -0.0455 (180deg=-0.549) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -129:sc= 0 (180deg=-0.00327) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.22) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.109 (180deg=-0.485) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.0457 K(o=0.046,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.483 -18.057 33.721 1.00 0.00 N ATOM 2 CA MET A 1 0.449 -17.929 32.714 1.00 0.00 C ATOM 3 C MET A 1 1.029 -17.309 31.451 1.00 0.00 C ATOM 4 O MET A 1 0.587 -17.613 30.346 1.00 0.00 O ATOM 5 CB MET A 1 -0.690 -17.073 33.262 1.00 0.00 C ATOM 6 CG MET A 1 -0.169 -15.672 33.572 1.00 0.00 C ATOM 7 SD MET A 1 0.601 -15.518 35.202 1.00 0.00 S ATOM 8 CE MET A 1 1.121 -13.787 35.115 1.00 0.00 C ATOM 0 H1 MET A 1 1.352 -18.948 34.241 1.00 0.00 H new ATOM 0 H2 MET A 1 2.416 -18.058 33.262 1.00 0.00 H new ATOM 0 H3 MET A 1 1.423 -17.257 34.383 1.00 0.00 H new ATOM 0 HA MET A 1 0.058 -18.915 32.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.501 -17.019 32.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.100 -17.528 34.164 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.557 -15.389 32.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.995 -14.965 33.503 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.621 -13.510 36.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.809 -13.655 34.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.247 -13.152 34.970 1.00 0.00 H new ATOM 20 N SER A 2 2.025 -16.436 31.619 1.00 0.00 N ATOM 21 CA SER A 2 2.661 -15.778 30.495 1.00 0.00 C ATOM 22 C SER A 2 1.610 -15.094 29.633 1.00 0.00 C ATOM 23 O SER A 2 0.435 -15.059 29.993 1.00 0.00 O ATOM 24 CB SER A 2 3.441 -16.808 29.681 1.00 0.00 C ATOM 25 OG SER A 2 4.594 -16.202 29.140 1.00 0.00 O ATOM 0 H SER A 2 2.403 -16.173 32.529 1.00 0.00 H new ATOM 0 HA SER A 2 3.353 -15.018 30.858 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.722 -17.650 30.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.816 -17.205 28.881 1.00 0.00 H new ATOM 0 HG SER A 2 5.097 -16.862 28.619 1.00 0.00 H new ATOM 31 N SER A 3 2.036 -14.548 28.492 1.00 0.00 N ATOM 32 CA SER A 3 1.131 -13.870 27.586 1.00 0.00 C ATOM 33 C SER A 3 1.125 -14.577 26.238 1.00 0.00 C ATOM 34 O SER A 3 2.125 -14.566 25.522 1.00 0.00 O ATOM 35 CB SER A 3 1.563 -12.416 27.431 1.00 0.00 C ATOM 36 OG SER A 3 0.427 -11.607 27.221 1.00 0.00 O ATOM 0 H SER A 3 3.007 -14.567 28.180 1.00 0.00 H new ATOM 0 HA SER A 3 0.119 -13.894 27.991 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.097 -12.087 28.323 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.252 -12.318 26.592 1.00 0.00 H new ATOM 0 HG SER A 3 0.705 -10.672 27.123 1.00 0.00 H new ATOM 42 N ASP A 4 -0.007 -15.192 25.890 1.00 0.00 N ATOM 43 CA ASP A 4 -0.140 -15.898 24.632 1.00 0.00 C ATOM 44 C ASP A 4 -1.608 -15.984 24.241 1.00 0.00 C ATOM 45 O ASP A 4 -2.395 -16.644 24.915 1.00 0.00 O ATOM 46 CB ASP A 4 0.466 -17.293 24.767 1.00 0.00 C ATOM 47 CG ASP A 4 -0.365 -18.158 25.705 1.00 0.00 C ATOM 48 OD1 ASP A 4 -0.562 -17.718 26.858 1.00 0.00 O ATOM 49 OD2 ASP A 4 -0.786 -19.244 25.251 1.00 0.00 O ATOM 0 H ASP A 4 -0.845 -15.210 26.472 1.00 0.00 H new ATOM 0 HA ASP A 4 0.393 -15.358 23.849 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.524 -17.765 23.786 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.486 -17.216 25.145 1.00 0.00 H new ATOM 54 N GLY A 5 -1.976 -15.313 23.147 1.00 0.00 N ATOM 55 CA GLY A 5 -3.346 -15.319 22.677 1.00 0.00 C ATOM 56 C GLY A 5 -3.628 -14.069 21.855 1.00 0.00 C ATOM 57 O GLY A 5 -3.220 -12.971 22.226 1.00 0.00 O ATOM 0 H GLY A 5 -1.337 -14.761 22.576 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.526 -16.208 22.073 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.029 -15.366 23.526 1.00 0.00 H new ATOM 61 N GLY A 6 -4.328 -14.238 20.730 1.00 0.00 N ATOM 62 CA GLY A 6 -4.657 -13.125 19.864 1.00 0.00 C ATOM 63 C GLY A 6 -5.934 -13.421 19.089 1.00 0.00 C ATOM 64 O GLY A 6 -6.091 -14.506 18.535 1.00 0.00 O ATOM 0 H GLY A 6 -4.674 -15.141 20.405 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.784 -12.219 20.457 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.837 -12.940 19.170 1.00 0.00 H new ATOM 68 N PRO A 7 -6.847 -12.448 19.050 1.00 0.00 N ATOM 69 CA PRO A 7 -8.116 -12.546 18.362 1.00 0.00 C ATOM 70 C PRO A 7 -7.888 -12.488 16.858 1.00 0.00 C ATOM 71 O PRO A 7 -7.385 -11.491 16.344 1.00 0.00 O ATOM 72 CB PRO A 7 -8.916 -11.338 18.842 1.00 0.00 C ATOM 73 CG PRO A 7 -7.829 -10.304 19.129 1.00 0.00 C ATOM 74 CD PRO A 7 -6.694 -11.159 19.690 1.00 0.00 C ATOM 0 HA PRO A 7 -8.639 -13.480 18.568 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.616 -10.989 18.083 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.501 -11.568 19.733 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.528 -9.772 18.227 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.163 -9.553 19.845 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.721 -10.720 19.467 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.763 -11.246 20.774 1.00 0.00 H new ATOM 82 N VAL A 8 -8.256 -13.560 16.155 1.00 0.00 N ATOM 83 CA VAL A 8 -8.089 -13.626 14.717 1.00 0.00 C ATOM 84 C VAL A 8 -8.974 -12.584 14.047 1.00 0.00 C ATOM 85 O VAL A 8 -10.177 -12.531 14.304 1.00 0.00 O ATOM 86 CB VAL A 8 -8.442 -15.029 14.229 1.00 0.00 C ATOM 87 CG1 VAL A 8 -9.901 -15.329 14.555 1.00 0.00 C ATOM 88 CG2 VAL A 8 -8.230 -15.109 12.719 1.00 0.00 C ATOM 0 H VAL A 8 -8.673 -14.394 16.568 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.052 -13.415 14.457 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.803 -15.759 14.725 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.153 -16.331 14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.052 -15.271 15.633 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.542 -14.600 14.059 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.482 -16.110 12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.870 -14.379 12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.187 -14.895 12.486 1.00 0.00 H new ATOM 98 N LEU A 9 -8.376 -11.757 13.190 1.00 0.00 N ATOM 99 CA LEU A 9 -9.105 -10.701 12.486 1.00 0.00 C ATOM 100 C LEU A 9 -8.628 -10.543 11.039 1.00 0.00 C ATOM 101 O LEU A 9 -7.637 -9.869 10.767 1.00 0.00 O ATOM 102 CB LEU A 9 -8.944 -9.376 13.236 1.00 0.00 C ATOM 103 CG LEU A 9 -9.863 -8.238 12.747 1.00 0.00 C ATOM 104 CD1 LEU A 9 -11.052 -8.044 13.683 1.00 0.00 C ATOM 105 CD2 LEU A 9 -9.087 -6.934 12.605 1.00 0.00 C ATOM 0 H LEU A 9 -7.382 -11.798 12.965 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.157 -10.985 12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.136 -9.549 14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.908 -9.049 13.149 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.244 -8.525 11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.680 -7.235 13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.634 -8.964 13.727 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.692 -7.794 14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.758 -6.147 12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.667 -6.654 13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.281 -7.067 11.883 1.00 0.00 H new ATOM 117 N GLY A 10 -9.349 -11.180 10.113 1.00 0.00 N ATOM 118 CA GLY A 10 -9.005 -11.119 8.707 1.00 0.00 C ATOM 119 C GLY A 10 -10.267 -11.093 7.856 1.00 0.00 C ATOM 120 O GLY A 10 -11.239 -11.781 8.158 1.00 0.00 O ATOM 0 H GLY A 10 -10.174 -11.742 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.407 -10.229 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.394 -11.980 8.437 1.00 0.00 H new ATOM 124 N GLY A 11 -10.248 -10.295 6.786 1.00 0.00 N ATOM 125 CA GLY A 11 -11.389 -10.184 5.899 1.00 0.00 C ATOM 126 C GLY A 11 -11.107 -9.169 4.801 1.00 0.00 C ATOM 127 O GLY A 11 -9.954 -8.827 4.547 1.00 0.00 O ATOM 0 H GLY A 11 -9.450 -9.719 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.611 -11.156 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.270 -9.882 6.465 1.00 0.00 H new ATOM 131 N VAL A 12 -12.168 -8.687 4.148 1.00 0.00 N ATOM 132 CA VAL A 12 -12.033 -7.715 3.082 1.00 0.00 C ATOM 133 C VAL A 12 -13.003 -6.565 3.307 1.00 0.00 C ATOM 134 O VAL A 12 -14.214 -6.770 3.350 1.00 0.00 O ATOM 135 CB VAL A 12 -12.299 -8.393 1.740 1.00 0.00 C ATOM 136 CG1 VAL A 12 -11.952 -7.432 0.607 1.00 0.00 C ATOM 137 CG2 VAL A 12 -11.439 -9.648 1.625 1.00 0.00 C ATOM 0 H VAL A 12 -13.130 -8.961 4.347 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.020 -7.313 3.077 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.352 -8.667 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.142 -7.916 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.567 -6.536 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.899 -7.157 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.629 -10.132 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.386 -9.375 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.687 -10.335 2.434 1.00 0.00 H new ATOM 147 N GLU A 13 -12.468 -5.350 3.451 1.00 0.00 N ATOM 148 CA GLU A 13 -13.289 -4.176 3.669 1.00 0.00 C ATOM 149 C GLU A 13 -12.421 -2.927 3.673 1.00 0.00 C ATOM 150 O GLU A 13 -11.234 -2.992 3.991 1.00 0.00 O ATOM 151 CB GLU A 13 -14.036 -4.319 4.993 1.00 0.00 C ATOM 152 CG GLU A 13 -15.535 -4.171 4.750 1.00 0.00 C ATOM 153 CD GLU A 13 -16.321 -5.195 5.555 1.00 0.00 C ATOM 154 OE1 GLU A 13 -16.350 -6.363 5.112 1.00 0.00 O ATOM 155 OE2 GLU A 13 -16.877 -4.791 6.599 1.00 0.00 O ATOM 0 H GLU A 13 -11.466 -5.162 3.419 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.016 -4.083 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.823 -5.290 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.695 -3.562 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.854 -3.165 5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.749 -4.295 3.688 1.00 0.00 H new ATOM 162 N PRO A 14 -13.015 -1.785 3.319 1.00 0.00 N ATOM 163 CA PRO A 14 -12.351 -0.501 3.266 1.00 0.00 C ATOM 164 C PRO A 14 -12.084 -0.006 4.681 1.00 0.00 C ATOM 165 O PRO A 14 -12.745 -0.432 5.624 1.00 0.00 O ATOM 166 CB PRO A 14 -13.330 0.417 2.540 1.00 0.00 C ATOM 167 CG PRO A 14 -14.689 -0.172 2.916 1.00 0.00 C ATOM 168 CD PRO A 14 -14.407 -1.673 2.941 1.00 0.00 C ATOM 0 HA PRO A 14 -11.388 -0.542 2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.233 1.452 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.170 0.408 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.034 0.192 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.457 0.084 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.052 -2.184 3.655 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.589 -2.125 1.966 1.00 0.00 H new ATOM 176 N VAL A 15 -11.109 0.896 4.826 1.00 0.00 N ATOM 177 CA VAL A 15 -10.759 1.441 6.121 1.00 0.00 C ATOM 178 C VAL A 15 -9.816 2.623 5.944 1.00 0.00 C ATOM 179 O VAL A 15 -9.704 3.172 4.851 1.00 0.00 O ATOM 180 CB VAL A 15 -10.109 0.353 6.972 1.00 0.00 C ATOM 181 CG1 VAL A 15 -8.649 0.191 6.562 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.183 0.749 8.444 1.00 0.00 C ATOM 0 H VAL A 15 -10.552 1.259 4.053 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.658 1.791 6.628 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.635 -0.590 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.185 -0.586 7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.595 -0.090 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.122 1.133 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.719 -0.027 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.656 1.691 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.226 0.866 8.737 1.00 0.00 H new ATOM 192 N GLY A 16 -9.136 3.013 7.024 1.00 0.00 N ATOM 193 CA GLY A 16 -8.209 4.126 6.979 1.00 0.00 C ATOM 194 C GLY A 16 -8.162 4.830 8.327 1.00 0.00 C ATOM 195 O GLY A 16 -9.197 5.212 8.869 1.00 0.00 O ATOM 0 H GLY A 16 -9.216 2.568 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.214 3.769 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.513 4.830 6.204 1.00 0.00 H new ATOM 199 N ASN A 17 -6.954 5.001 8.869 1.00 0.00 N ATOM 200 CA ASN A 17 -6.777 5.656 10.150 1.00 0.00 C ATOM 201 C ASN A 17 -5.296 5.742 10.489 1.00 0.00 C ATOM 202 O ASN A 17 -4.753 4.857 11.146 1.00 0.00 O ATOM 203 CB ASN A 17 -7.535 4.881 11.224 1.00 0.00 C ATOM 204 CG ASN A 17 -7.984 5.807 12.346 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.323 6.962 12.101 1.00 0.00 O ATOM 206 ND2 ASN A 17 -7.990 5.295 13.579 1.00 0.00 N ATOM 0 H ASN A 17 -6.086 4.691 8.432 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.175 6.670 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.403 4.392 10.781 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.898 4.095 11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.285 5.870 14.368 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.699 4.329 13.732 1.00 0.00 H new ATOM 213 N GLU A 18 -4.643 6.815 10.038 1.00 0.00 N ATOM 214 CA GLU A 18 -3.230 7.011 10.297 1.00 0.00 C ATOM 215 C GLU A 18 -2.911 6.644 11.740 1.00 0.00 C ATOM 216 O GLU A 18 -1.810 6.186 12.039 1.00 0.00 O ATOM 217 CB GLU A 18 -2.859 8.464 10.015 1.00 0.00 C ATOM 218 CG GLU A 18 -3.597 9.376 10.990 1.00 0.00 C ATOM 219 CD GLU A 18 -3.421 10.838 10.606 1.00 0.00 C ATOM 220 OE1 GLU A 18 -3.916 11.201 9.517 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.795 11.565 11.407 1.00 0.00 O ATOM 0 H GLU A 18 -5.078 7.558 9.491 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.645 6.365 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.782 8.602 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.119 8.724 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.657 9.123 10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.222 9.214 12.001 1.00 0.00 H new ATOM 228 N ASN A 19 -3.880 6.845 12.635 1.00 0.00 N ATOM 229 CA ASN A 19 -3.698 6.535 14.039 1.00 0.00 C ATOM 230 C ASN A 19 -3.155 5.121 14.191 1.00 0.00 C ATOM 231 O ASN A 19 -2.508 4.804 15.187 1.00 0.00 O ATOM 232 CB ASN A 19 -5.032 6.683 14.767 1.00 0.00 C ATOM 233 CG ASN A 19 -4.995 7.858 15.733 1.00 0.00 C ATOM 234 OD1 ASN A 19 -5.192 7.683 16.934 1.00 0.00 O ATOM 235 ND2 ASN A 19 -4.740 9.058 15.208 1.00 0.00 N ATOM 0 H ASN A 19 -4.799 7.223 12.403 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.979 7.227 14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.833 6.828 14.042 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.258 5.766 15.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.702 9.880 15.810 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.583 9.153 14.205 1.00 0.00 H new ATOM 242 N ASP A 20 -3.421 4.270 13.197 1.00 0.00 N ATOM 243 CA ASP A 20 -2.960 2.896 13.224 1.00 0.00 C ATOM 244 C ASP A 20 -1.584 2.803 12.581 1.00 0.00 C ATOM 245 O ASP A 20 -1.475 2.538 11.382 1.00 0.00 O ATOM 246 CB ASP A 20 -3.961 2.010 12.490 1.00 0.00 C ATOM 247 CG ASP A 20 -5.229 1.826 13.311 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.134 1.992 14.547 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.270 1.523 12.689 1.00 0.00 O ATOM 0 H ASP A 20 -3.956 4.518 12.364 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.882 2.554 14.256 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.209 2.455 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.511 1.038 12.286 1.00 0.00 H new ATOM 254 N LEU A 21 -0.536 3.020 13.376 1.00 0.00 N ATOM 255 CA LEU A 21 0.841 2.973 12.884 1.00 0.00 C ATOM 256 C LEU A 21 1.055 1.830 11.888 1.00 0.00 C ATOM 257 O LEU A 21 1.817 1.967 10.931 1.00 0.00 O ATOM 258 CB LEU A 21 1.803 2.822 14.065 1.00 0.00 C ATOM 259 CG LEU A 21 1.849 1.411 14.688 1.00 0.00 C ATOM 260 CD1 LEU A 21 3.285 0.973 14.962 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.029 1.355 15.971 1.00 0.00 C ATOM 0 H LEU A 21 -0.616 3.232 14.371 1.00 0.00 H new ATOM 0 HA LEU A 21 1.040 3.907 12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.806 3.090 13.734 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.521 3.536 14.839 1.00 0.00 H new ATOM 0 HG LEU A 21 1.413 0.721 13.966 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.284 -0.025 15.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.845 0.958 14.027 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.753 1.673 15.654 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.078 0.350 16.390 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.430 2.068 16.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.009 1.606 15.751 1.00 0.00 H new ATOM 273 N HIS A 22 0.375 0.705 12.132 1.00 0.00 N ATOM 274 CA HIS A 22 0.465 -0.474 11.270 1.00 0.00 C ATOM 275 C HIS A 22 0.146 -0.099 9.810 1.00 0.00 C ATOM 276 O HIS A 22 1.005 -0.261 8.943 1.00 0.00 O ATOM 277 CB HIS A 22 -0.474 -1.576 11.774 1.00 0.00 C ATOM 278 CG HIS A 22 -0.697 -2.666 10.768 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.980 -2.609 9.445 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 -0.626 -4.006 11.086 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -1.074 -3.904 8.994 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.855 -4.727 10.001 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.250 0.588 12.929 1.00 0.00 H new ATOM 0 HA HIS A 22 1.485 -0.856 11.304 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.060 -2.009 12.684 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.434 -1.133 12.040 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.416 -4.404 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.292 -4.200 7.978 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.861 -5.746 9.952 1.00 0.00 H new ATOM 291 N LEU A 23 -1.071 0.379 9.548 1.00 0.00 N ATOM 292 CA LEU A 23 -1.493 0.743 8.196 1.00 0.00 C ATOM 293 C LEU A 23 -0.514 1.714 7.532 1.00 0.00 C ATOM 294 O LEU A 23 -0.013 1.463 6.438 1.00 0.00 O ATOM 295 CB LEU A 23 -2.891 1.364 8.244 1.00 0.00 C ATOM 296 CG LEU A 23 -3.790 0.848 9.387 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.243 1.272 9.185 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.698 -0.669 9.510 1.00 0.00 C ATOM 0 H LEU A 23 -1.786 0.524 10.261 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.510 -0.167 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.790 2.445 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.390 1.174 7.294 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.429 1.295 10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.850 0.893 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.304 2.360 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.613 0.866 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.341 -1.008 10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.020 -1.130 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.667 -0.955 9.719 1.00 0.00 H new ATOM 310 N VAL A 24 -0.251 2.835 8.210 1.00 0.00 N ATOM 311 CA VAL A 24 0.653 3.844 7.697 1.00 0.00 C ATOM 312 C VAL A 24 1.987 3.205 7.337 1.00 0.00 C ATOM 313 O VAL A 24 2.526 3.453 6.261 1.00 0.00 O ATOM 314 CB VAL A 24 0.843 4.936 8.746 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.144 5.684 8.474 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.328 5.913 8.679 1.00 0.00 C ATOM 0 H VAL A 24 -0.658 3.058 9.118 1.00 0.00 H new ATOM 0 HA VAL A 24 0.232 4.292 6.797 1.00 0.00 H new ATOM 0 HB VAL A 24 0.885 4.484 9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.279 6.464 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.981 4.987 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.103 6.136 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.194 6.694 9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.369 6.364 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.258 5.380 8.874 1.00 0.00 H new ATOM 326 N ASP A 25 2.519 2.380 8.242 1.00 0.00 N ATOM 327 CA ASP A 25 3.785 1.711 8.016 1.00 0.00 C ATOM 328 C ASP A 25 3.836 1.174 6.592 1.00 0.00 C ATOM 329 O ASP A 25 4.842 1.339 5.903 1.00 0.00 O ATOM 330 CB ASP A 25 3.950 0.581 9.027 1.00 0.00 C ATOM 331 CG ASP A 25 5.345 -0.023 8.945 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.572 -0.796 7.989 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.156 0.299 9.839 1.00 0.00 O ATOM 0 H ASP A 25 2.084 2.164 9.139 1.00 0.00 H new ATOM 0 HA ASP A 25 4.604 2.418 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.772 0.960 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.204 -0.191 8.840 1.00 0.00 H new ATOM 338 N LEU A 26 2.753 0.532 6.157 1.00 0.00 N ATOM 339 CA LEU A 26 2.674 -0.045 4.815 1.00 0.00 C ATOM 340 C LEU A 26 2.875 1.011 3.725 1.00 0.00 C ATOM 341 O LEU A 26 3.691 0.843 2.822 1.00 0.00 O ATOM 342 CB LEU A 26 1.319 -0.735 4.631 1.00 0.00 C ATOM 343 CG LEU A 26 0.993 -1.815 5.683 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.650 -3.148 5.022 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.152 -1.995 6.655 1.00 0.00 C ATOM 0 H LEU A 26 1.912 0.398 6.719 1.00 0.00 H new ATOM 0 HA LEU A 26 3.478 -0.774 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.536 0.023 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.291 -1.192 3.642 1.00 0.00 H new ATOM 0 HG LEU A 26 0.120 -1.475 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.425 -3.888 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.218 -3.021 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.498 -3.488 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.897 -2.762 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.043 -2.299 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.346 -1.053 7.169 1.00 0.00 H new ATOM 357 N ALA A 27 2.112 2.102 3.820 1.00 0.00 N ATOM 358 CA ALA A 27 2.193 3.178 2.854 1.00 0.00 C ATOM 359 C ALA A 27 3.566 3.832 2.926 1.00 0.00 C ATOM 360 O ALA A 27 4.249 3.957 1.912 1.00 0.00 O ATOM 361 CB ALA A 27 1.093 4.197 3.136 1.00 0.00 C ATOM 0 H ALA A 27 1.431 2.256 4.563 1.00 0.00 H new ATOM 0 HA ALA A 27 2.053 2.782 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.153 5.007 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.120 3.712 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.219 4.600 4.141 1.00 0.00 H new ATOM 367 N ARG A 28 3.967 4.252 4.128 1.00 0.00 N ATOM 368 CA ARG A 28 5.253 4.891 4.325 1.00 0.00 C ATOM 369 C ARG A 28 6.370 3.935 3.929 1.00 0.00 C ATOM 370 O ARG A 28 7.470 4.368 3.595 1.00 0.00 O ATOM 371 CB ARG A 28 5.391 5.310 5.786 1.00 0.00 C ATOM 372 CG ARG A 28 4.853 6.727 5.961 1.00 0.00 C ATOM 373 CD ARG A 28 5.239 7.251 7.342 1.00 0.00 C ATOM 374 NE ARG A 28 4.229 8.178 7.853 1.00 0.00 N ATOM 375 CZ ARG A 28 4.285 9.500 7.639 1.00 0.00 C ATOM 376 NH1 ARG A 28 5.294 10.023 6.929 1.00 0.00 N ATOM 377 NH2 ARG A 28 3.330 10.300 8.133 1.00 0.00 N ATOM 0 H ARG A 28 3.411 4.157 4.978 1.00 0.00 H new ATOM 0 HA ARG A 28 5.324 5.779 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.843 4.620 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.437 5.266 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.257 7.379 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.769 6.732 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.353 6.416 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.205 7.754 7.287 1.00 0.00 H new ATOM 0 HE ARG A 28 3.450 7.803 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.020 9.415 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.336 11.029 6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.560 9.903 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.373 11.306 7.970 1.00 0.00 H new ATOM 391 N PHE A 29 6.084 2.632 3.969 1.00 0.00 N ATOM 392 CA PHE A 29 7.064 1.626 3.615 1.00 0.00 C ATOM 393 C PHE A 29 7.293 1.634 2.110 1.00 0.00 C ATOM 394 O PHE A 29 8.433 1.644 1.653 1.00 0.00 O ATOM 395 CB PHE A 29 6.577 0.257 4.080 1.00 0.00 C ATOM 396 CG PHE A 29 7.261 -0.895 3.386 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.652 -0.888 3.222 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.506 -1.971 2.901 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.287 -1.955 2.576 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.141 -3.037 2.255 1.00 0.00 C ATOM 401 CZ PHE A 29 8.531 -3.030 2.093 1.00 0.00 C ATOM 0 H PHE A 29 5.177 2.257 4.245 1.00 0.00 H new ATOM 0 HA PHE A 29 8.011 1.847 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.737 0.170 5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.503 0.186 3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.235 -0.059 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.433 -1.977 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.360 -1.949 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.558 -3.866 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.021 -3.854 1.595 1.00 0.00 H new ATOM 411 N ALA A 30 6.202 1.630 1.340 1.00 0.00 N ATOM 412 CA ALA A 30 6.288 1.636 -0.107 1.00 0.00 C ATOM 413 C ALA A 30 7.191 2.773 -0.565 1.00 0.00 C ATOM 414 O ALA A 30 8.268 2.533 -1.107 1.00 0.00 O ATOM 415 CB ALA A 30 4.889 1.786 -0.697 1.00 0.00 C ATOM 0 H ALA A 30 5.249 1.623 1.704 1.00 0.00 H new ATOM 0 HA ALA A 30 6.716 0.696 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.952 1.791 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.266 0.952 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.448 2.722 -0.355 1.00 0.00 H new ATOM 421 N VAL A 31 6.750 4.013 -0.346 1.00 0.00 N ATOM 422 CA VAL A 31 7.518 5.179 -0.737 1.00 0.00 C ATOM 423 C VAL A 31 8.980 4.980 -0.362 1.00 0.00 C ATOM 424 O VAL A 31 9.873 5.356 -1.118 1.00 0.00 O ATOM 425 CB VAL A 31 6.946 6.416 -0.051 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.867 7.607 -0.300 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.562 6.717 -0.616 1.00 0.00 C ATOM 0 H VAL A 31 5.860 4.228 0.103 1.00 0.00 H new ATOM 0 HA VAL A 31 7.456 5.318 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 31 6.869 6.234 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.459 8.491 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.856 7.393 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.944 7.789 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.153 7.601 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.638 6.899 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.904 5.867 -0.438 1.00 0.00 H new ATOM 437 N THR A 32 9.223 4.389 0.811 1.00 0.00 N ATOM 438 CA THR A 32 10.573 4.146 1.274 1.00 0.00 C ATOM 439 C THR A 32 11.260 3.137 0.364 1.00 0.00 C ATOM 440 O THR A 32 12.175 3.486 -0.378 1.00 0.00 O ATOM 441 CB THR A 32 10.532 3.636 2.712 1.00 0.00 C ATOM 442 OG1 THR A 32 10.177 4.693 3.575 1.00 0.00 O ATOM 443 CG2 THR A 32 11.907 3.101 3.102 1.00 0.00 C ATOM 0 H THR A 32 8.495 4.073 1.451 1.00 0.00 H new ATOM 0 HA THR A 32 11.142 5.075 1.246 1.00 0.00 H new ATOM 0 HB THR A 32 9.795 2.837 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.203 4.803 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.878 2.737 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.182 2.284 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.644 3.900 3.021 1.00 0.00 H new ATOM 451 N GLU A 33 10.815 1.879 0.425 1.00 0.00 N ATOM 452 CA GLU A 33 11.387 0.828 -0.392 1.00 0.00 C ATOM 453 C GLU A 33 11.654 1.350 -1.797 1.00 0.00 C ATOM 454 O GLU A 33 12.748 1.160 -2.328 1.00 0.00 O ATOM 455 CB GLU A 33 10.432 -0.361 -0.430 1.00 0.00 C ATOM 456 CG GLU A 33 11.040 -1.477 -1.275 1.00 0.00 C ATOM 457 CD GLU A 33 11.793 -2.470 -0.401 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.908 -2.111 0.035 1.00 0.00 O ATOM 459 OE2 GLU A 33 11.239 -3.569 -0.187 1.00 0.00 O ATOM 0 H GLU A 33 10.058 1.572 1.036 1.00 0.00 H new ATOM 0 HA GLU A 33 12.335 0.504 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.241 -0.720 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.472 -0.057 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.253 -1.993 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.717 -1.051 -2.015 1.00 0.00 H new ATOM 466 N HIS A 34 10.653 2.006 -2.391 1.00 0.00 N ATOM 467 CA HIS A 34 10.770 2.575 -3.735 1.00 0.00 C ATOM 468 C HIS A 34 11.935 3.580 -3.794 1.00 0.00 C ATOM 469 O HIS A 34 12.802 3.454 -4.656 1.00 0.00 O ATOM 470 CB HIS A 34 9.450 3.236 -4.151 1.00 0.00 C ATOM 471 CG HIS A 34 9.412 3.615 -5.601 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.264 3.561 -6.362 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.391 4.046 -6.432 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.536 3.941 -7.598 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.819 4.241 -7.666 1.00 0.00 N ATOM 0 H HIS A 34 9.743 2.157 -1.955 1.00 0.00 H new ATOM 0 HA HIS A 34 10.983 1.771 -4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.627 2.554 -3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.290 4.128 -3.545 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.346 3.272 -6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.427 4.206 -6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.829 3.996 -8.413 1.00 0.00 H new ATOM 484 N ASN A 35 11.943 4.569 -2.896 1.00 0.00 N ATOM 485 CA ASN A 35 12.988 5.574 -2.878 1.00 0.00 C ATOM 486 C ASN A 35 14.328 4.921 -2.573 1.00 0.00 C ATOM 487 O ASN A 35 15.380 5.515 -2.804 1.00 0.00 O ATOM 488 CB ASN A 35 12.652 6.633 -1.832 1.00 0.00 C ATOM 489 CG ASN A 35 11.450 7.460 -2.264 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.611 6.988 -3.028 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.367 8.699 -1.772 1.00 0.00 N ATOM 0 H ASN A 35 11.232 4.688 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 35 13.055 6.053 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.443 6.153 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.512 7.285 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.582 9.298 -2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.089 9.046 -1.141 1.00 0.00 H new ATOM 498 N LYS A 36 14.290 3.693 -2.051 1.00 0.00 N ATOM 499 CA LYS A 36 15.499 2.966 -1.718 1.00 0.00 C ATOM 500 C LYS A 36 16.178 2.481 -2.990 1.00 0.00 C ATOM 501 O LYS A 36 17.365 2.726 -3.197 1.00 0.00 O ATOM 502 CB LYS A 36 15.151 1.791 -0.810 1.00 0.00 C ATOM 503 CG LYS A 36 16.092 1.782 0.392 1.00 0.00 C ATOM 504 CD LYS A 36 15.422 2.483 1.570 1.00 0.00 C ATOM 505 CE LYS A 36 16.412 3.445 2.220 1.00 0.00 C ATOM 506 NZ LYS A 36 15.766 4.228 3.285 1.00 0.00 N ATOM 0 H LYS A 36 13.427 3.187 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 36 16.189 3.625 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.117 1.870 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.237 0.854 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.345 0.756 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.026 2.284 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.540 3.026 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.082 1.747 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.251 2.885 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.819 4.118 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.461 4.874 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.981 4.779 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.399 3.585 4.015 1.00 0.00 H new ATOM 520 N LYS A 37 15.421 1.790 -3.846 1.00 0.00 N ATOM 521 CA LYS A 37 15.952 1.274 -5.091 1.00 0.00 C ATOM 522 C LYS A 37 15.776 2.307 -6.196 1.00 0.00 C ATOM 523 O LYS A 37 16.148 2.064 -7.342 1.00 0.00 O ATOM 524 CB LYS A 37 15.238 -0.027 -5.448 1.00 0.00 C ATOM 525 CG LYS A 37 13.746 0.243 -5.617 1.00 0.00 C ATOM 526 CD LYS A 37 13.050 -1.026 -6.102 1.00 0.00 C ATOM 527 CE LYS A 37 11.894 -0.652 -7.025 1.00 0.00 C ATOM 528 NZ LYS A 37 10.738 -0.172 -6.254 1.00 0.00 N ATOM 0 H LYS A 37 14.435 1.579 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 37 17.017 1.070 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.650 -0.440 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.398 -0.769 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.315 0.567 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.591 1.051 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.759 -1.663 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.680 -1.598 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.216 0.121 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.604 -1.518 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.874 -0.638 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.875 -0.396 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.646 0.857 -6.370 1.00 0.00 H new ATOM 542 N ALA A 38 15.207 3.462 -5.848 1.00 0.00 N ATOM 543 CA ALA A 38 14.982 4.524 -6.808 1.00 0.00 C ATOM 544 C ALA A 38 15.654 5.803 -6.328 1.00 0.00 C ATOM 545 O ALA A 38 15.376 6.883 -6.843 1.00 0.00 O ATOM 546 CB ALA A 38 13.483 4.736 -6.989 1.00 0.00 C ATOM 0 H ALA A 38 14.895 3.679 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 38 15.415 4.248 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.313 5.535 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.027 3.815 -7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.036 5.010 -6.033 1.00 0.00 H new ATOM 552 N ASN A 39 16.542 5.677 -5.339 1.00 0.00 N ATOM 553 CA ASN A 39 17.247 6.822 -4.798 1.00 0.00 C ATOM 554 C ASN A 39 16.287 7.990 -4.626 1.00 0.00 C ATOM 555 O ASN A 39 16.612 9.123 -4.973 1.00 0.00 O ATOM 556 CB ASN A 39 18.394 7.198 -5.731 1.00 0.00 C ATOM 557 CG ASN A 39 19.616 6.329 -5.469 1.00 0.00 C ATOM 558 OD1 ASN A 39 20.513 6.722 -4.727 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.648 5.141 -6.080 1.00 0.00 N ATOM 0 H ASN A 39 16.784 4.788 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 39 17.657 6.571 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.077 7.083 -6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.653 8.248 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.442 4.516 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.879 4.859 -6.687 1.00 0.00 H new ATOM 566 N SER A 40 15.099 7.710 -4.086 1.00 0.00 N ATOM 567 CA SER A 40 14.098 8.735 -3.868 1.00 0.00 C ATOM 568 C SER A 40 13.624 9.286 -5.206 1.00 0.00 C ATOM 569 O SER A 40 14.390 9.327 -6.169 1.00 0.00 O ATOM 570 CB SER A 40 14.689 9.846 -3.005 1.00 0.00 C ATOM 571 OG SER A 40 15.623 9.294 -2.105 1.00 0.00 O ATOM 0 H SER A 40 14.814 6.775 -3.793 1.00 0.00 H new ATOM 0 HA SER A 40 13.240 8.307 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.172 10.593 -3.635 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.897 10.356 -2.457 1.00 0.00 H new ATOM 0 HG SER A 40 16.005 10.007 -1.551 1.00 0.00 H new ATOM 577 N LEU A 41 12.361 9.710 -5.263 1.00 0.00 N ATOM 578 CA LEU A 41 11.773 10.252 -6.488 1.00 0.00 C ATOM 579 C LEU A 41 10.529 11.097 -6.200 1.00 0.00 C ATOM 580 O LEU A 41 10.008 11.778 -7.084 1.00 0.00 O ATOM 581 CB LEU A 41 11.418 9.105 -7.438 1.00 0.00 C ATOM 582 CG LEU A 41 9.934 8.682 -7.416 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.663 7.557 -8.411 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.510 8.257 -6.014 1.00 0.00 C ATOM 0 H LEU A 41 11.722 9.688 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 41 12.511 10.905 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.683 9.398 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.032 8.240 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 41 9.343 9.549 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.609 7.282 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.912 7.893 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.274 6.691 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.460 7.964 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.119 7.413 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.647 9.090 -5.324 1.00 0.00 H new ATOM 596 N LEU A 42 10.058 11.038 -4.954 1.00 0.00 N ATOM 597 CA LEU A 42 8.868 11.775 -4.534 1.00 0.00 C ATOM 598 C LEU A 42 8.991 12.292 -3.097 1.00 0.00 C ATOM 599 O LEU A 42 10.020 12.119 -2.447 1.00 0.00 O ATOM 600 CB LEU A 42 7.635 10.876 -4.660 1.00 0.00 C ATOM 601 CG LEU A 42 7.441 9.876 -3.502 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.478 8.757 -3.891 1.00 0.00 C ATOM 603 CD2 LEU A 42 8.777 9.289 -3.060 1.00 0.00 C ATOM 0 H LEU A 42 10.487 10.483 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 42 8.765 12.642 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.749 11.507 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.703 10.319 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 42 7.007 10.425 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.362 8.069 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.508 9.184 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.875 8.218 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.613 8.587 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.241 8.769 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.433 10.091 -2.723 1.00 0.00 H new ATOM 615 N GLU A 43 7.926 12.934 -2.613 1.00 0.00 N ATOM 616 CA GLU A 43 7.910 13.478 -1.270 1.00 0.00 C ATOM 617 C GLU A 43 6.575 13.177 -0.604 1.00 0.00 C ATOM 618 O GLU A 43 5.747 14.069 -0.432 1.00 0.00 O ATOM 619 CB GLU A 43 8.158 14.983 -1.329 1.00 0.00 C ATOM 620 CG GLU A 43 8.723 15.457 0.007 1.00 0.00 C ATOM 621 CD GLU A 43 9.893 16.408 -0.206 1.00 0.00 C ATOM 622 OE1 GLU A 43 11.008 15.894 -0.432 1.00 0.00 O ATOM 623 OE2 GLU A 43 9.648 17.632 -0.137 1.00 0.00 O ATOM 0 H GLU A 43 7.065 13.086 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 43 8.699 13.015 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.855 15.216 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.228 15.507 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.942 15.957 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.049 14.598 0.594 1.00 0.00 H new ATOM 630 N PHE A 44 6.367 11.913 -0.227 1.00 0.00 N ATOM 631 CA PHE A 44 5.137 11.501 0.417 1.00 0.00 C ATOM 632 C PHE A 44 4.773 12.491 1.515 1.00 0.00 C ATOM 633 O PHE A 44 5.595 12.800 2.374 1.00 0.00 O ATOM 634 CB PHE A 44 5.309 10.097 0.990 1.00 0.00 C ATOM 635 CG PHE A 44 4.252 9.726 2.002 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.296 10.269 3.292 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.228 8.838 1.651 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.314 9.926 4.229 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.246 8.495 2.589 1.00 0.00 C ATOM 640 CZ PHE A 44 2.291 9.039 3.878 1.00 0.00 C ATOM 0 H PHE A 44 7.043 11.161 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 44 4.328 11.484 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.288 9.375 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.291 10.022 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.087 10.952 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.195 8.417 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.346 10.346 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.455 7.812 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.535 8.774 4.602 1.00 0.00 H new ATOM 650 N GLU A 45 3.534 12.989 1.485 1.00 0.00 N ATOM 651 CA GLU A 45 3.070 13.939 2.476 1.00 0.00 C ATOM 652 C GLU A 45 2.234 13.224 3.528 1.00 0.00 C ATOM 653 O GLU A 45 2.445 13.407 4.725 1.00 0.00 O ATOM 654 CB GLU A 45 2.256 15.032 1.790 1.00 0.00 C ATOM 655 CG GLU A 45 1.406 15.759 2.827 1.00 0.00 C ATOM 656 CD GLU A 45 1.489 17.268 2.636 1.00 0.00 C ATOM 657 OE1 GLU A 45 2.605 17.802 2.820 1.00 0.00 O ATOM 658 OE2 GLU A 45 0.437 17.857 2.310 1.00 0.00 O ATOM 0 H GLU A 45 2.839 12.744 0.780 1.00 0.00 H new ATOM 0 HA GLU A 45 3.925 14.398 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.921 15.737 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.618 14.597 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.369 15.434 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.744 15.496 3.829 1.00 0.00 H new ATOM 665 N LYS A 46 1.280 12.405 3.077 1.00 0.00 N ATOM 666 CA LYS A 46 0.419 11.668 3.979 1.00 0.00 C ATOM 667 C LYS A 46 -0.472 10.722 3.185 1.00 0.00 C ATOM 668 O LYS A 46 -0.281 10.549 1.981 1.00 0.00 O ATOM 669 CB LYS A 46 -0.423 12.647 4.792 1.00 0.00 C ATOM 670 CG LYS A 46 -1.373 13.395 3.862 1.00 0.00 C ATOM 671 CD LYS A 46 -2.299 14.284 4.687 1.00 0.00 C ATOM 672 CE LYS A 46 -3.675 14.336 4.029 1.00 0.00 C ATOM 673 NZ LYS A 46 -3.983 15.695 3.557 1.00 0.00 N ATOM 0 H LYS A 46 1.091 12.242 2.088 1.00 0.00 H new ATOM 0 HA LYS A 46 1.026 11.076 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.990 12.111 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.223 13.353 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.805 14.000 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.959 12.686 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.384 13.896 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.883 15.288 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.708 13.640 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.435 14.014 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.924 15.704 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.974 16.353 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.269 15.991 2.861 1.00 0.00 H new ATOM 687 N LEU A 47 -1.445 10.111 3.863 1.00 0.00 N ATOM 688 CA LEU A 47 -2.365 9.167 3.228 1.00 0.00 C ATOM 689 C LEU A 47 -3.794 9.714 3.168 1.00 0.00 C ATOM 690 O LEU A 47 -4.064 10.831 3.603 1.00 0.00 O ATOM 691 CB LEU A 47 -2.346 7.839 3.990 1.00 0.00 C ATOM 692 CG LEU A 47 -2.143 7.969 5.514 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.358 7.454 6.280 1.00 0.00 C ATOM 694 CD2 LEU A 47 -0.887 7.230 5.961 1.00 0.00 C ATOM 0 H LEU A 47 -1.616 10.255 4.858 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.030 9.012 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.285 7.318 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.550 7.215 3.584 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.022 9.029 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.184 7.559 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.238 8.031 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.521 6.403 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.766 7.337 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.977 6.173 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.018 7.651 5.455 1.00 0.00 H new ATOM 706 N VAL A 48 -4.706 8.909 2.617 1.00 0.00 N ATOM 707 CA VAL A 48 -6.095 9.300 2.490 1.00 0.00 C ATOM 708 C VAL A 48 -6.993 8.182 2.998 1.00 0.00 C ATOM 709 O VAL A 48 -7.886 8.418 3.808 1.00 0.00 O ATOM 710 CB VAL A 48 -6.401 9.620 1.031 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.755 10.318 0.935 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.317 10.536 0.472 1.00 0.00 C ATOM 0 H VAL A 48 -4.497 7.980 2.253 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.283 10.191 3.090 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.427 8.695 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.973 10.547 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.531 9.664 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.729 11.243 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.536 10.765 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.289 11.461 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.350 10.038 0.539 1.00 0.00 H new ATOM 722 N SER A 49 -6.754 6.958 2.519 1.00 0.00 N ATOM 723 CA SER A 49 -7.540 5.811 2.927 1.00 0.00 C ATOM 724 C SER A 49 -6.737 4.535 2.720 1.00 0.00 C ATOM 725 O SER A 49 -5.626 4.575 2.199 1.00 0.00 O ATOM 726 CB SER A 49 -8.836 5.772 2.122 1.00 0.00 C ATOM 727 OG SER A 49 -9.834 6.499 2.803 1.00 0.00 O ATOM 0 H SER A 49 -6.018 6.745 1.846 1.00 0.00 H new ATOM 0 HA SER A 49 -7.787 5.892 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.674 6.196 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.157 4.740 1.978 1.00 0.00 H new ATOM 0 HG SER A 49 -9.424 7.251 3.280 1.00 0.00 H new ATOM 733 N VAL A 50 -7.305 3.399 3.131 1.00 0.00 N ATOM 734 CA VAL A 50 -6.644 2.118 2.989 1.00 0.00 C ATOM 735 C VAL A 50 -7.670 0.997 3.069 1.00 0.00 C ATOM 736 O VAL A 50 -8.687 1.129 3.745 1.00 0.00 O ATOM 737 CB VAL A 50 -5.592 1.965 4.084 1.00 0.00 C ATOM 738 CG1 VAL A 50 -6.273 1.965 5.449 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.842 0.650 3.889 1.00 0.00 C ATOM 0 H VAL A 50 -8.226 3.350 3.566 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.151 2.065 2.018 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.889 2.796 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.521 1.856 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.808 2.904 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.977 1.135 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.091 0.540 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.545 -0.181 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.354 0.651 2.914 1.00 0.00 H new ATOM 749 N LYS A 51 -7.401 -0.111 2.373 1.00 0.00 N ATOM 750 CA LYS A 51 -8.301 -1.247 2.369 1.00 0.00 C ATOM 751 C LYS A 51 -7.536 -2.516 2.718 1.00 0.00 C ATOM 752 O LYS A 51 -6.318 -2.485 2.882 1.00 0.00 O ATOM 753 CB LYS A 51 -8.957 -1.372 0.997 1.00 0.00 C ATOM 754 CG LYS A 51 -9.491 -0.010 0.564 1.00 0.00 C ATOM 755 CD LYS A 51 -9.912 -0.070 -0.902 1.00 0.00 C ATOM 756 CE LYS A 51 -10.629 1.223 -1.279 1.00 0.00 C ATOM 757 NZ LYS A 51 -9.716 2.374 -1.209 1.00 0.00 N ATOM 0 H LYS A 51 -6.562 -0.237 1.806 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.079 -1.099 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.234 -1.740 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.769 -2.098 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.340 0.274 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.725 0.753 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.037 -0.212 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.568 -0.924 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.034 1.137 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.473 1.383 -0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.175 3.207 -1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.482 2.572 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.844 2.158 -1.733 1.00 0.00 H new ATOM 771 N GLN A 52 -8.255 -3.635 2.831 1.00 0.00 N ATOM 772 CA GLN A 52 -7.642 -4.906 3.159 1.00 0.00 C ATOM 773 C GLN A 52 -8.324 -6.024 2.383 1.00 0.00 C ATOM 774 O GLN A 52 -9.543 -6.024 2.230 1.00 0.00 O ATOM 775 CB GLN A 52 -7.752 -5.148 4.663 1.00 0.00 C ATOM 776 CG GLN A 52 -9.223 -5.240 5.058 1.00 0.00 C ATOM 777 CD GLN A 52 -9.368 -5.673 6.510 1.00 0.00 C ATOM 778 OE1 GLN A 52 -8.384 -6.422 7.013 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.352 -5.334 7.165 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.265 -3.677 2.698 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.588 -4.889 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.234 -6.068 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.268 -4.338 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.704 -4.273 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.734 -5.951 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.078 -4.761 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.442 -5.626 8.138 1.00 0.00 H new ATOM 788 N GLN A 53 -7.532 -6.981 1.892 1.00 0.00 N ATOM 789 CA GLN A 53 -8.060 -8.097 1.135 1.00 0.00 C ATOM 790 C GLN A 53 -7.571 -9.407 1.736 1.00 0.00 C ATOM 791 O GLN A 53 -6.603 -9.422 2.494 1.00 0.00 O ATOM 792 CB GLN A 53 -7.623 -7.973 -0.321 1.00 0.00 C ATOM 793 CG GLN A 53 -8.678 -8.605 -1.225 1.00 0.00 C ATOM 794 CD GLN A 53 -9.292 -7.565 -2.152 1.00 0.00 C ATOM 795 OE1 GLN A 53 -9.792 -6.540 -1.693 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.254 -7.832 -3.459 1.00 0.00 N ATOM 0 H GLN A 53 -6.519 -6.996 2.011 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.149 -8.087 1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.486 -6.924 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.662 -8.466 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.227 -9.403 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.458 -9.061 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.828 -8.697 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.651 -7.171 -4.126 1.00 0.00 H new ATOM 805 N VAL A 54 -8.243 -10.509 1.395 1.00 0.00 N ATOM 806 CA VAL A 54 -7.874 -11.817 1.900 1.00 0.00 C ATOM 807 C VAL A 54 -7.659 -12.775 0.738 1.00 0.00 C ATOM 808 O VAL A 54 -8.575 -13.020 -0.045 1.00 0.00 O ATOM 809 CB VAL A 54 -8.971 -12.329 2.829 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.287 -12.418 2.063 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.590 -13.712 3.349 1.00 0.00 C ATOM 0 H VAL A 54 -9.048 -10.513 0.768 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.943 -11.746 2.463 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.086 -11.643 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.070 -12.784 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.559 -11.430 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.174 -13.104 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.373 -14.079 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.475 -14.397 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.650 -13.648 3.897 1.00 0.00 H new ATOM 821 N VAL A 55 -6.445 -13.319 0.627 1.00 0.00 N ATOM 822 CA VAL A 55 -6.117 -14.248 -0.437 1.00 0.00 C ATOM 823 C VAL A 55 -5.003 -15.178 0.019 1.00 0.00 C ATOM 824 O VAL A 55 -5.174 -15.932 0.975 1.00 0.00 O ATOM 825 CB VAL A 55 -5.695 -13.467 -1.679 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.815 -12.513 -2.085 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.432 -12.669 -1.373 1.00 0.00 C ATOM 0 H VAL A 55 -5.675 -13.126 1.268 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.991 -14.852 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.496 -14.162 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.514 -11.955 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.717 -13.084 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.014 -11.818 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.130 -12.111 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.630 -11.974 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.632 -13.351 -1.084 1.00 0.00 H new ATOM 837 N ALA A 56 -3.860 -15.126 -0.668 1.00 0.00 N ATOM 838 CA ALA A 56 -2.726 -15.964 -0.332 1.00 0.00 C ATOM 839 C ALA A 56 -1.982 -15.372 0.856 1.00 0.00 C ATOM 840 O ALA A 56 -0.841 -15.742 1.125 1.00 0.00 O ATOM 841 CB ALA A 56 -1.805 -16.081 -1.543 1.00 0.00 C ATOM 0 H ALA A 56 -3.703 -14.506 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.073 -16.960 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.952 -16.711 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.352 -16.526 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.453 -15.090 -1.829 1.00 0.00 H new ATOM 847 N GLY A 57 -2.633 -14.450 1.570 1.00 0.00 N ATOM 848 CA GLY A 57 -2.028 -13.814 2.724 1.00 0.00 C ATOM 849 C GLY A 57 -2.894 -12.657 3.204 1.00 0.00 C ATOM 850 O GLY A 57 -4.108 -12.795 3.324 1.00 0.00 O ATOM 0 H GLY A 57 -3.580 -14.133 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.905 -14.542 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.033 -13.450 2.467 1.00 0.00 H new ATOM 854 N THR A 58 -2.263 -11.514 3.477 1.00 0.00 N ATOM 855 CA THR A 58 -2.977 -10.342 3.941 1.00 0.00 C ATOM 856 C THR A 58 -2.642 -9.147 3.061 1.00 0.00 C ATOM 857 O THR A 58 -1.540 -8.602 3.143 1.00 0.00 O ATOM 858 CB THR A 58 -2.606 -10.063 5.395 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.952 -11.176 6.190 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.362 -8.832 5.887 1.00 0.00 C ATOM 0 H THR A 58 -1.256 -11.383 3.382 1.00 0.00 H new ATOM 0 HA THR A 58 -4.051 -10.521 3.880 1.00 0.00 H new ATOM 0 HB THR A 58 -1.533 -9.883 5.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.712 -10.998 7.124 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.097 -8.633 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.095 -7.972 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.435 -9.011 5.814 1.00 0.00 H new ATOM 868 N LEU A 59 -3.593 -8.742 2.220 1.00 0.00 N ATOM 869 CA LEU A 59 -3.401 -7.614 1.309 1.00 0.00 C ATOM 870 C LEU A 59 -4.043 -6.331 1.843 1.00 0.00 C ATOM 871 O LEU A 59 -4.988 -6.372 2.627 1.00 0.00 O ATOM 872 CB LEU A 59 -3.987 -7.957 -0.064 1.00 0.00 C ATOM 873 CG LEU A 59 -3.282 -7.279 -1.257 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.564 -5.779 -1.289 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.779 -7.530 -1.216 1.00 0.00 C ATOM 0 H LEU A 59 -4.511 -9.182 2.151 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.330 -7.434 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.945 -9.037 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.040 -7.675 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.685 -7.721 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.053 -5.331 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.637 -5.612 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.203 -5.321 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.305 -7.042 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.368 -7.126 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.588 -8.602 -1.260 1.00 0.00 H new ATOM 887 N TYR A 60 -3.510 -5.186 1.409 1.00 0.00 N ATOM 888 CA TYR A 60 -4.015 -3.898 1.839 1.00 0.00 C ATOM 889 C TYR A 60 -3.817 -2.870 0.735 1.00 0.00 C ATOM 890 O TYR A 60 -2.703 -2.685 0.247 1.00 0.00 O ATOM 891 CB TYR A 60 -3.291 -3.470 3.113 1.00 0.00 C ATOM 892 CG TYR A 60 -3.554 -4.378 4.290 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.833 -4.436 4.857 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.519 -5.162 4.815 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.076 -5.277 5.949 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.763 -6.003 5.906 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.041 -6.061 6.474 1.00 0.00 C ATOM 898 OH TYR A 60 -4.278 -6.881 7.539 1.00 0.00 O ATOM 0 H TYR A 60 -2.726 -5.134 0.758 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.082 -3.973 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.219 -3.441 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.596 -2.456 3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.632 -3.832 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.533 -5.117 4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.062 -5.321 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.965 -6.608 6.310 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.211 -7.180 7.521 1.00 0.00 H new ATOM 908 N TYR A 61 -4.902 -2.200 0.340 1.00 0.00 N ATOM 909 CA TYR A 61 -4.841 -1.198 -0.704 1.00 0.00 C ATOM 910 C TYR A 61 -4.810 0.193 -0.085 1.00 0.00 C ATOM 911 O TYR A 61 -5.852 0.749 0.253 1.00 0.00 O ATOM 912 CB TYR A 61 -6.048 -1.352 -1.626 1.00 0.00 C ATOM 913 CG TYR A 61 -6.115 -2.696 -2.311 1.00 0.00 C ATOM 914 CD1 TYR A 61 -5.214 -3.005 -3.337 1.00 0.00 C ATOM 915 CD2 TYR A 61 -7.079 -3.633 -1.920 1.00 0.00 C ATOM 916 CE1 TYR A 61 -5.277 -4.250 -3.972 1.00 0.00 C ATOM 917 CE2 TYR A 61 -7.143 -4.879 -2.556 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.241 -5.188 -3.582 1.00 0.00 C ATOM 919 OH TYR A 61 -6.303 -6.401 -4.201 1.00 0.00 O ATOM 0 H TYR A 61 -5.832 -2.340 0.734 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.932 -1.333 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.959 -1.202 -1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.019 -0.568 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.470 -2.282 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.773 -3.395 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.582 -4.488 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.888 -5.601 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.639 -7.073 -3.571 1.00 0.00 H new ATOM 929 N PHE A 62 -3.607 0.753 0.064 1.00 0.00 N ATOM 930 CA PHE A 62 -3.448 2.073 0.640 1.00 0.00 C ATOM 931 C PHE A 62 -3.594 3.131 -0.443 1.00 0.00 C ATOM 932 O PHE A 62 -3.178 2.922 -1.580 1.00 0.00 O ATOM 933 CB PHE A 62 -2.081 2.171 1.313 1.00 0.00 C ATOM 934 CG PHE A 62 -1.920 1.240 2.491 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.547 -0.093 2.283 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.149 1.709 3.790 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.399 -0.957 3.374 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.002 0.844 4.882 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.627 -0.489 4.674 1.00 0.00 C ATOM 0 H PHE A 62 -2.733 0.305 -0.210 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.221 2.243 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.307 1.951 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.922 3.196 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.373 -0.455 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.439 2.737 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.109 -1.985 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.178 1.205 5.884 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.514 -1.156 5.516 1.00 0.00 H new ATOM 949 N THR A 63 -4.187 4.273 -0.088 1.00 0.00 N ATOM 950 CA THR A 63 -4.383 5.356 -1.030 1.00 0.00 C ATOM 951 C THR A 63 -3.845 6.656 -0.448 1.00 0.00 C ATOM 952 O THR A 63 -4.613 7.508 -0.009 1.00 0.00 O ATOM 953 CB THR A 63 -5.868 5.484 -1.356 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.342 4.262 -1.878 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.070 6.589 -2.388 1.00 0.00 C ATOM 0 H THR A 63 -4.538 4.464 0.851 1.00 0.00 H new ATOM 0 HA THR A 63 -3.839 5.142 -1.950 1.00 0.00 H new ATOM 0 HB THR A 63 -6.418 5.730 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.296 4.343 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.131 6.680 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.704 7.534 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.519 6.344 -3.296 1.00 0.00 H new ATOM 963 N ILE A 64 -2.518 6.803 -0.445 1.00 0.00 N ATOM 964 CA ILE A 64 -1.881 7.994 0.080 1.00 0.00 C ATOM 965 C ILE A 64 -1.498 8.921 -1.066 1.00 0.00 C ATOM 966 O ILE A 64 -1.343 8.475 -2.201 1.00 0.00 O ATOM 967 CB ILE A 64 -0.650 7.596 0.890 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.556 7.483 -0.037 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.901 6.252 1.567 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.284 6.417 -1.096 1.00 0.00 C ATOM 0 H ILE A 64 -1.868 6.103 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.573 8.525 0.734 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.453 8.354 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.753 8.443 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.446 7.223 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.023 5.967 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.762 6.334 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.098 5.494 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.145 6.335 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.108 5.458 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.596 6.696 -1.676 1.00 0.00 H new ATOM 982 N GLU A 65 -1.344 10.212 -0.766 1.00 0.00 N ATOM 983 CA GLU A 65 -0.979 11.190 -1.772 1.00 0.00 C ATOM 984 C GLU A 65 0.435 11.692 -1.520 1.00 0.00 C ATOM 985 O GLU A 65 0.788 12.022 -0.390 1.00 0.00 O ATOM 986 CB GLU A 65 -1.976 12.344 -1.742 1.00 0.00 C ATOM 987 CG GLU A 65 -1.320 13.598 -2.311 1.00 0.00 C ATOM 988 CD GLU A 65 -0.798 14.493 -1.196 1.00 0.00 C ATOM 989 OE1 GLU A 65 -1.639 14.939 -0.386 1.00 0.00 O ATOM 990 OE2 GLU A 65 0.432 14.713 -1.173 1.00 0.00 O ATOM 0 H GLU A 65 -1.468 10.597 0.170 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.006 10.728 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.862 12.088 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.307 12.526 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.499 13.316 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.041 14.148 -2.916 1.00 0.00 H new ATOM 997 N VAL A 66 1.246 11.749 -2.579 1.00 0.00 N ATOM 998 CA VAL A 66 2.615 12.210 -2.470 1.00 0.00 C ATOM 999 C VAL A 66 2.891 13.261 -3.535 1.00 0.00 C ATOM 1000 O VAL A 66 2.271 13.251 -4.597 1.00 0.00 O ATOM 1001 CB VAL A 66 3.564 11.024 -2.622 1.00 0.00 C ATOM 1002 CG1 VAL A 66 2.994 9.818 -1.880 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.720 10.684 -4.101 1.00 0.00 C ATOM 0 H VAL A 66 0.968 11.478 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 66 2.774 12.662 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 66 4.537 11.281 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.671 8.971 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.882 10.061 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.021 9.560 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.398 9.837 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.747 10.427 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.127 11.545 -4.631 1.00 0.00 H new ATOM 1013 N LYS A 67 3.825 14.172 -3.249 1.00 0.00 N ATOM 1014 CA LYS A 67 4.176 15.223 -4.184 1.00 0.00 C ATOM 1015 C LYS A 67 5.663 15.156 -4.503 1.00 0.00 C ATOM 1016 O LYS A 67 6.500 15.310 -3.618 1.00 0.00 O ATOM 1017 CB LYS A 67 3.813 16.578 -3.583 1.00 0.00 C ATOM 1018 CG LYS A 67 4.328 16.652 -2.148 1.00 0.00 C ATOM 1019 CD LYS A 67 3.178 16.393 -1.180 1.00 0.00 C ATOM 1020 CE LYS A 67 2.895 17.658 -0.376 1.00 0.00 C ATOM 1021 NZ LYS A 67 2.002 18.565 -1.116 1.00 0.00 N ATOM 0 H LYS A 67 4.348 14.196 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 67 3.620 15.090 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.248 17.380 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.732 16.718 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.118 15.917 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.764 17.633 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.286 16.092 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.431 15.572 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.440 17.392 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.832 18.168 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.825 19.418 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.449 18.835 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.100 18.084 -1.308 1.00 0.00 H new ATOM 1035 N GLU A 68 5.989 14.924 -5.777 1.00 0.00 N ATOM 1036 CA GLU A 68 7.371 14.839 -6.206 1.00 0.00 C ATOM 1037 C GLU A 68 7.810 16.166 -6.811 1.00 0.00 C ATOM 1038 O GLU A 68 7.279 16.593 -7.832 1.00 0.00 O ATOM 1039 CB GLU A 68 7.518 13.708 -7.220 1.00 0.00 C ATOM 1040 CG GLU A 68 8.697 14.003 -8.143 1.00 0.00 C ATOM 1041 CD GLU A 68 9.917 14.438 -7.345 1.00 0.00 C ATOM 1042 OE1 GLU A 68 9.935 14.144 -6.131 1.00 0.00 O ATOM 1043 OE2 GLU A 68 10.809 15.056 -7.965 1.00 0.00 O ATOM 0 H GLU A 68 5.307 14.793 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 68 8.009 14.627 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.674 12.761 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.603 13.606 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.938 13.115 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.423 14.785 -8.851 1.00 0.00 H new ATOM 1050 N GLY A 69 8.785 16.817 -6.173 1.00 0.00 N ATOM 1051 CA GLY A 69 9.289 18.089 -6.652 1.00 0.00 C ATOM 1052 C GLY A 69 8.174 19.124 -6.671 1.00 0.00 C ATOM 1053 O GLY A 69 7.728 19.582 -5.621 1.00 0.00 O ATOM 0 H GLY A 69 9.236 16.477 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.101 18.431 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.702 17.971 -7.654 1.00 0.00 H new ATOM 1057 N ASP A 70 7.724 19.494 -7.872 1.00 0.00 N ATOM 1058 CA ASP A 70 6.666 20.472 -8.024 1.00 0.00 C ATOM 1059 C ASP A 70 5.402 19.790 -8.528 1.00 0.00 C ATOM 1060 O ASP A 70 4.657 20.365 -9.318 1.00 0.00 O ATOM 1061 CB ASP A 70 7.117 21.560 -8.995 1.00 0.00 C ATOM 1062 CG ASP A 70 8.224 22.408 -8.386 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.028 22.856 -7.235 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.246 22.591 -9.082 1.00 0.00 O ATOM 0 H ASP A 70 8.083 19.124 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 70 6.448 20.931 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.470 21.104 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.270 22.194 -9.256 1.00 0.00 H new ATOM 1069 N ALA A 71 5.162 18.560 -8.069 1.00 0.00 N ATOM 1070 CA ALA A 71 3.992 17.807 -8.474 1.00 0.00 C ATOM 1071 C ALA A 71 3.376 17.119 -7.264 1.00 0.00 C ATOM 1072 O ALA A 71 4.074 16.813 -6.299 1.00 0.00 O ATOM 1073 CB ALA A 71 4.390 16.783 -9.534 1.00 0.00 C ATOM 0 H ALA A 71 5.771 18.070 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 71 3.249 18.482 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.511 16.216 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.808 17.298 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.135 16.103 -9.121 1.00 0.00 H new ATOM 1079 N LYS A 72 2.065 16.877 -7.318 1.00 0.00 N ATOM 1080 CA LYS A 72 1.364 16.228 -6.227 1.00 0.00 C ATOM 1081 C LYS A 72 0.230 15.374 -6.777 1.00 0.00 C ATOM 1082 O LYS A 72 -0.566 15.838 -7.589 1.00 0.00 O ATOM 1083 CB LYS A 72 0.827 17.286 -5.268 1.00 0.00 C ATOM 1084 CG LYS A 72 -0.187 18.164 -5.997 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.255 19.531 -5.321 1.00 0.00 C ATOM 1086 CE LYS A 72 -1.386 20.349 -5.939 1.00 0.00 C ATOM 1087 NZ LYS A 72 -0.928 21.701 -6.291 1.00 0.00 N ATOM 0 H LYS A 72 1.473 17.124 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 72 2.051 15.579 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.359 16.808 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.646 17.897 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.099 18.277 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.169 17.691 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.421 19.411 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.694 20.055 -5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.759 19.844 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.218 20.414 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.715 22.236 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.594 22.188 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.150 21.636 -6.978 1.00 0.00 H new ATOM 1101 N LYS A 73 0.159 14.118 -6.330 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.875 13.205 -6.777 1.00 0.00 C ATOM 1103 C LYS A 73 -1.021 12.061 -5.784 1.00 0.00 C ATOM 1104 O LYS A 73 -0.346 12.040 -4.754 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.519 12.676 -8.165 1.00 0.00 C ATOM 1106 CG LYS A 73 0.933 12.207 -8.172 1.00 0.00 C ATOM 1107 CD LYS A 73 1.604 12.650 -9.469 1.00 0.00 C ATOM 1108 CE LYS A 73 1.169 11.731 -10.607 1.00 0.00 C ATOM 1109 NZ LYS A 73 -0.019 12.263 -11.290 1.00 0.00 N ATOM 0 H LYS A 73 0.812 13.717 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.828 13.730 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.180 11.852 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.664 13.456 -8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.464 12.621 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.976 11.122 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.334 13.681 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.688 12.621 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.985 11.620 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.953 10.738 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.060 11.887 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.874 11.978 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.036 13.301 -11.324 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.902 11.110 -6.096 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.151 9.960 -5.227 1.00 0.00 C ATOM 1125 C LEU A 74 -1.397 8.714 -5.697 1.00 0.00 C ATOM 1126 O LEU A 74 -0.983 8.618 -6.850 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.654 9.672 -5.176 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.557 10.892 -5.450 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -3.954 12.171 -4.875 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.810 11.056 -6.944 1.00 0.00 C ATOM 0 H LEU A 74 -2.459 11.114 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.785 10.208 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.886 8.895 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.899 9.270 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.510 10.711 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.615 13.012 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.835 12.064 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.981 12.352 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.449 11.923 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.861 11.200 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.301 10.163 -7.330 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.220 7.758 -4.782 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.518 6.529 -5.089 1.00 0.00 C ATOM 1144 C TYR A 75 -1.136 5.373 -4.315 1.00 0.00 C ATOM 1145 O TYR A 75 -1.163 5.389 -3.087 1.00 0.00 O ATOM 1146 CB TYR A 75 0.959 6.686 -4.737 1.00 0.00 C ATOM 1147 CG TYR A 75 1.699 7.633 -5.651 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.408 9.003 -5.625 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.676 7.142 -6.526 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.093 9.880 -6.474 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.361 8.019 -7.374 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.070 9.388 -7.348 1.00 0.00 C ATOM 1153 OH TYR A 75 3.738 10.244 -8.175 1.00 0.00 O ATOM 0 H TYR A 75 -1.558 7.821 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.604 6.314 -6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.044 7.044 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.439 5.708 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.655 9.383 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.901 6.086 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.868 10.936 -6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.114 7.640 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 75 4.382 9.741 -8.715 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.635 4.368 -5.038 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.248 3.212 -4.415 1.00 0.00 C ATOM 1165 C GLU A 76 -1.172 2.249 -3.933 1.00 0.00 C ATOM 1166 O GLU A 76 -0.722 1.388 -4.687 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.176 2.529 -5.416 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.811 3.581 -6.320 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.127 3.079 -6.897 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -6.081 2.942 -6.101 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.154 2.840 -8.124 1.00 0.00 O ATOM 0 H GLU A 76 -1.622 4.339 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.834 3.529 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.617 1.810 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.950 1.972 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.983 4.496 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.126 3.831 -7.130 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.760 2.396 -2.672 1.00 0.00 N ATOM 1179 CA ALA A 77 0.260 1.543 -2.096 1.00 0.00 C ATOM 1180 C ALA A 77 -0.354 0.211 -1.687 1.00 0.00 C ATOM 1181 O ALA A 77 -1.163 0.155 -0.763 1.00 0.00 O ATOM 1182 CB ALA A 77 0.886 2.242 -0.892 1.00 0.00 C ATOM 0 H ALA A 77 -1.124 3.104 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 77 1.039 1.351 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.653 1.601 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.336 3.182 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.116 2.442 -0.147 1.00 0.00 H new ATOM 1188 N LYS A 78 0.032 -0.863 -2.380 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.482 -2.186 -2.086 1.00 0.00 C ATOM 1190 C LYS A 78 0.618 -3.044 -1.477 1.00 0.00 C ATOM 1191 O LYS A 78 1.610 -3.348 -2.136 1.00 0.00 O ATOM 1192 CB LYS A 78 -1.016 -2.820 -3.367 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.511 -4.231 -3.067 1.00 0.00 C ATOM 1194 CD LYS A 78 -0.690 -5.239 -3.866 1.00 0.00 C ATOM 1195 CE LYS A 78 -1.539 -6.476 -4.149 1.00 0.00 C ATOM 1196 NZ LYS A 78 -1.404 -6.898 -5.552 1.00 0.00 N ATOM 0 H LYS A 78 0.701 -0.833 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.297 -2.112 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.828 -2.217 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.233 -2.851 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.424 -4.439 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.566 -4.320 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.356 -4.792 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.205 -5.518 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.235 -7.289 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.585 -6.262 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.991 -7.740 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.717 -6.128 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.409 -7.124 -5.752 1.00 0.00 H new ATOM 1210 N VAL A 79 0.439 -3.436 -0.213 1.00 0.00 N ATOM 1211 CA VAL A 79 1.413 -4.257 0.479 1.00 0.00 C ATOM 1212 C VAL A 79 0.835 -5.643 0.726 1.00 0.00 C ATOM 1213 O VAL A 79 -0.376 -5.836 0.650 1.00 0.00 O ATOM 1214 CB VAL A 79 1.796 -3.587 1.795 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.722 -4.508 2.584 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.512 -2.271 1.507 1.00 0.00 C ATOM 0 H VAL A 79 -0.378 -3.192 0.347 1.00 0.00 H new ATOM 0 HA VAL A 79 2.308 -4.363 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 79 0.896 -3.391 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.996 -4.030 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.211 -5.448 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.622 -4.705 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.786 -1.792 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.412 -2.466 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.851 -1.613 0.944 1.00 0.00 H new ATOM 1226 N TRP A 80 1.706 -6.610 1.024 1.00 0.00 N ATOM 1227 CA TRP A 80 1.276 -7.969 1.281 1.00 0.00 C ATOM 1228 C TRP A 80 2.064 -8.550 2.446 1.00 0.00 C ATOM 1229 O TRP A 80 3.161 -9.073 2.259 1.00 0.00 O ATOM 1230 CB TRP A 80 1.471 -8.810 0.023 1.00 0.00 C ATOM 1231 CG TRP A 80 0.773 -10.133 0.035 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.337 -10.423 0.748 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.115 -11.356 -0.685 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.703 -11.733 0.520 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.160 -12.356 -0.357 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.135 -11.723 -1.582 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.213 -13.648 -0.888 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.196 -13.017 -2.120 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.240 -13.979 -1.776 1.00 0.00 C ATOM 0 H TRP A 80 2.714 -6.467 1.091 1.00 0.00 H new ATOM 0 HA TRP A 80 0.219 -7.975 1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.120 -8.238 -0.836 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.538 -8.980 -0.121 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.858 -9.735 1.397 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.512 -12.185 0.947 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.884 -10.996 -1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.531 -14.382 -0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.989 -13.273 -2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.296 -14.973 -2.195 1.00 0.00 H new ATOM 1250 N GLU A 81 1.501 -8.458 3.653 1.00 0.00 N ATOM 1251 CA GLU A 81 2.152 -8.974 4.840 1.00 0.00 C ATOM 1252 C GLU A 81 1.440 -10.233 5.316 1.00 0.00 C ATOM 1253 O GLU A 81 0.346 -10.545 4.852 1.00 0.00 O ATOM 1254 CB GLU A 81 2.147 -7.905 5.928 1.00 0.00 C ATOM 1255 CG GLU A 81 1.004 -6.927 5.674 1.00 0.00 C ATOM 1256 CD GLU A 81 0.910 -5.899 6.793 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.986 -5.462 7.253 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.236 -5.572 7.167 1.00 0.00 O ATOM 0 H GLU A 81 0.592 -8.028 3.825 1.00 0.00 H new ATOM 0 HA GLU A 81 3.185 -9.232 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.032 -8.369 6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.099 -7.374 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.158 -6.420 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.064 -7.473 5.596 1.00 0.00 H new ATOM 1265 N LYS A 82 2.065 -10.955 6.249 1.00 0.00 N ATOM 1266 CA LYS A 82 1.490 -12.173 6.785 1.00 0.00 C ATOM 1267 C LYS A 82 1.842 -12.307 8.259 1.00 0.00 C ATOM 1268 O LYS A 82 3.011 -12.447 8.612 1.00 0.00 O ATOM 1269 CB LYS A 82 2.010 -13.370 5.994 1.00 0.00 C ATOM 1270 CG LYS A 82 2.051 -13.020 4.509 1.00 0.00 C ATOM 1271 CD LYS A 82 2.875 -14.064 3.762 1.00 0.00 C ATOM 1272 CE LYS A 82 2.120 -14.510 2.512 1.00 0.00 C ATOM 1273 NZ LYS A 82 3.025 -15.160 1.552 1.00 0.00 N ATOM 0 H LYS A 82 2.972 -10.709 6.645 1.00 0.00 H new ATOM 0 HA LYS A 82 0.404 -12.137 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.006 -13.644 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.366 -14.234 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.039 -12.983 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.486 -12.030 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.844 -13.648 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.068 -14.920 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.324 -15.200 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.645 -13.648 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.487 -15.454 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.770 -14.492 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.459 -15.995 1.995 1.00 0.00 H new ATOM 1287 N PRO A 83 0.824 -12.263 9.123 1.00 0.00 N ATOM 1288 CA PRO A 83 0.967 -12.376 10.558 1.00 0.00 C ATOM 1289 C PRO A 83 1.310 -13.812 10.926 1.00 0.00 C ATOM 1290 O PRO A 83 2.203 -14.053 11.736 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.397 -11.978 11.118 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.357 -12.406 10.010 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.562 -12.100 8.742 1.00 0.00 C ATOM 0 HA PRO A 83 1.763 -11.747 10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.612 -12.486 12.058 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.457 -10.907 11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.614 -13.463 10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.292 -11.848 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.832 -12.779 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.758 -11.088 8.387 1.00 0.00 H new ATOM 1301 N TRP A 84 0.597 -14.769 10.329 1.00 0.00 N ATOM 1302 CA TRP A 84 0.832 -16.174 10.599 1.00 0.00 C ATOM 1303 C TRP A 84 2.325 -16.468 10.551 1.00 0.00 C ATOM 1304 O TRP A 84 2.770 -17.517 11.013 1.00 0.00 O ATOM 1305 CB TRP A 84 0.082 -17.020 9.574 1.00 0.00 C ATOM 1306 CG TRP A 84 0.686 -17.036 8.207 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.731 -17.801 7.824 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.304 -16.263 7.027 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.020 -17.558 6.497 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.170 -16.615 5.957 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.684 -15.301 6.753 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 1.062 -16.046 4.685 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.801 -14.723 5.481 1.00 0.00 C ATOM 1314 CH2 TRP A 84 0.068 -15.092 4.447 1.00 0.00 C ATOM 0 H TRP A 84 -0.147 -14.588 9.655 1.00 0.00 H new ATOM 0 HA TRP A 84 0.466 -16.422 11.595 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.025 -18.044 9.942 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.941 -16.651 9.499 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.259 -18.496 8.459 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.769 -18.018 5.980 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.365 -15.002 7.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.738 -16.340 3.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.569 -13.986 5.297 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.029 -14.642 3.470 1.00 0.00 H new ATOM 1325 N MET A 85 3.099 -15.536 9.990 1.00 0.00 N ATOM 1326 CA MET A 85 4.535 -15.701 9.885 1.00 0.00 C ATOM 1327 C MET A 85 5.219 -14.345 9.973 1.00 0.00 C ATOM 1328 O MET A 85 6.410 -14.227 9.694 1.00 0.00 O ATOM 1329 CB MET A 85 4.871 -16.390 8.565 1.00 0.00 C ATOM 1330 CG MET A 85 4.564 -15.447 7.406 1.00 0.00 C ATOM 1331 SD MET A 85 4.703 -16.219 5.774 1.00 0.00 S ATOM 1332 CE MET A 85 6.507 -16.291 5.642 1.00 0.00 C ATOM 0 H MET A 85 2.746 -14.661 9.603 1.00 0.00 H new ATOM 0 HA MET A 85 4.894 -16.321 10.707 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.923 -16.673 8.548 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.292 -17.308 8.464 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.554 -15.056 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.243 -14.596 7.453 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.820 -15.859 4.692 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.955 -15.729 6.461 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.834 -17.329 5.693 1.00 0.00 H new ATOM 1342 N ASP A 86 4.461 -13.318 10.364 1.00 0.00 N ATOM 1343 CA ASP A 86 4.995 -11.976 10.487 1.00 0.00 C ATOM 1344 C ASP A 86 5.915 -11.679 9.311 1.00 0.00 C ATOM 1345 O ASP A 86 7.132 -11.813 9.424 1.00 0.00 O ATOM 1346 CB ASP A 86 5.747 -11.848 11.809 1.00 0.00 C ATOM 1347 CG ASP A 86 4.904 -12.366 12.966 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.716 -13.601 13.023 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.463 -11.518 13.771 1.00 0.00 O ATOM 0 H ASP A 86 3.472 -13.400 10.600 1.00 0.00 H new ATOM 0 HA ASP A 86 4.180 -11.252 10.477 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.681 -12.407 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.009 -10.804 11.983 1.00 0.00 H new ATOM 1354 N PHE A 87 5.332 -11.274 8.181 1.00 0.00 N ATOM 1355 CA PHE A 87 6.103 -10.961 6.994 1.00 0.00 C ATOM 1356 C PHE A 87 5.438 -9.825 6.232 1.00 0.00 C ATOM 1357 O PHE A 87 4.292 -9.476 6.506 1.00 0.00 O ATOM 1358 CB PHE A 87 6.215 -12.207 6.120 1.00 0.00 C ATOM 1359 CG PHE A 87 6.635 -11.911 4.700 1.00 0.00 C ATOM 1360 CD1 PHE A 87 5.671 -11.595 3.736 1.00 0.00 C ATOM 1361 CD2 PHE A 87 7.990 -11.954 4.347 1.00 0.00 C ATOM 1362 CE1 PHE A 87 6.060 -11.323 2.419 1.00 0.00 C ATOM 1363 CE2 PHE A 87 8.378 -11.681 3.030 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.413 -11.366 2.066 1.00 0.00 C ATOM 0 H PHE A 87 4.325 -11.157 8.071 1.00 0.00 H new ATOM 0 HA PHE A 87 7.105 -10.642 7.279 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.935 -12.892 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.253 -12.719 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.626 -11.561 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.735 -12.198 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.315 -11.080 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.423 -11.713 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.713 -11.156 1.050 1.00 0.00 H new ATOM 1374 N LYS A 88 6.161 -9.247 5.269 1.00 0.00 N ATOM 1375 CA LYS A 88 5.638 -8.155 4.474 1.00 0.00 C ATOM 1376 C LYS A 88 6.486 -7.975 3.221 1.00 0.00 C ATOM 1377 O LYS A 88 7.687 -8.230 3.238 1.00 0.00 O ATOM 1378 CB LYS A 88 5.629 -6.877 5.307 1.00 0.00 C ATOM 1379 CG LYS A 88 7.061 -6.506 5.685 1.00 0.00 C ATOM 1380 CD LYS A 88 7.165 -4.995 5.866 1.00 0.00 C ATOM 1381 CE LYS A 88 8.223 -4.680 6.919 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.479 -3.234 6.994 1.00 0.00 N ATOM 0 H LYS A 88 7.112 -9.525 5.028 1.00 0.00 H new ATOM 0 HA LYS A 88 4.616 -8.381 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.169 -6.066 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.030 -7.020 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.348 -7.014 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.751 -6.838 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.427 -4.522 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.201 -4.587 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.893 -5.045 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.148 -5.204 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.202 -3.047 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.816 -2.893 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.600 -2.739 7.247 1.00 0.00 H new ATOM 1396 N GLU A 89 5.853 -7.533 2.132 1.00 0.00 N ATOM 1397 CA GLU A 89 6.550 -7.321 0.879 1.00 0.00 C ATOM 1398 C GLU A 89 5.771 -6.345 0.009 1.00 0.00 C ATOM 1399 O GLU A 89 4.639 -6.627 -0.383 1.00 0.00 O ATOM 1400 CB GLU A 89 6.730 -8.658 0.165 1.00 0.00 C ATOM 1401 CG GLU A 89 7.523 -8.446 -1.120 1.00 0.00 C ATOM 1402 CD GLU A 89 8.955 -8.935 -0.962 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.168 -10.148 -1.180 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.810 -8.089 -0.625 1.00 0.00 O ATOM 0 H GLU A 89 4.857 -7.317 2.101 1.00 0.00 H new ATOM 0 HA GLU A 89 7.533 -6.893 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.251 -9.362 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.758 -9.094 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.042 -8.978 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.523 -7.388 -1.382 1.00 0.00 H new ATOM 1411 N LEU A 90 6.380 -5.198 -0.291 1.00 0.00 N ATOM 1412 CA LEU A 90 5.743 -4.166 -1.109 1.00 0.00 C ATOM 1413 C LEU A 90 5.496 -4.642 -2.543 1.00 0.00 C ATOM 1414 O LEU A 90 6.399 -5.144 -3.209 1.00 0.00 O ATOM 1415 CB LEU A 90 6.616 -2.907 -1.120 1.00 0.00 C ATOM 1416 CG LEU A 90 5.912 -1.635 -1.637 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.184 -1.900 -2.952 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.939 -1.091 -0.598 1.00 0.00 C ATOM 0 H LEU A 90 7.321 -4.959 0.023 1.00 0.00 H new ATOM 0 HA LEU A 90 4.772 -3.942 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.973 -2.721 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.494 -3.096 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 90 6.683 -0.886 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.698 -0.985 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.900 -2.230 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.433 -2.675 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.456 -0.195 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.183 -1.845 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.482 -0.844 0.315 1.00 0.00 H new ATOM 1430 N GLN A 91 4.256 -4.481 -3.007 1.00 0.00 N ATOM 1431 CA GLN A 91 3.881 -4.894 -4.344 1.00 0.00 C ATOM 1432 C GLN A 91 3.993 -3.713 -5.300 1.00 0.00 C ATOM 1433 O GLN A 91 4.509 -3.853 -6.406 1.00 0.00 O ATOM 1434 CB GLN A 91 2.457 -5.442 -4.326 1.00 0.00 C ATOM 1435 CG GLN A 91 2.424 -6.750 -3.542 1.00 0.00 C ATOM 1436 CD GLN A 91 2.956 -7.901 -4.385 1.00 0.00 C ATOM 1437 OE1 GLN A 91 2.504 -8.111 -5.508 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.920 -8.647 -3.839 1.00 0.00 N ATOM 0 H GLN A 91 3.497 -4.065 -2.467 1.00 0.00 H new ATOM 0 HA GLN A 91 4.554 -5.679 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.783 -4.716 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.107 -5.608 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.022 -6.651 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.403 -6.965 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.262 -8.432 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.314 -9.431 -4.359 1.00 0.00 H new ATOM 1447 N GLU A 92 3.507 -2.547 -4.867 1.00 0.00 N ATOM 1448 CA GLU A 92 3.557 -1.351 -5.685 1.00 0.00 C ATOM 1449 C GLU A 92 2.651 -0.280 -5.094 1.00 0.00 C ATOM 1450 O GLU A 92 1.574 -0.584 -4.584 1.00 0.00 O ATOM 1451 CB GLU A 92 3.131 -1.693 -7.110 1.00 0.00 C ATOM 1452 CG GLU A 92 4.351 -1.663 -8.026 1.00 0.00 C ATOM 1453 CD GLU A 92 4.162 -2.599 -9.212 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.484 -3.795 -9.047 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.701 -2.099 -10.260 1.00 0.00 O ATOM 0 H GLU A 92 3.076 -2.414 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 92 4.576 -0.964 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.668 -2.679 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.383 -0.980 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.518 -0.647 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.239 -1.954 -7.465 1.00 0.00 H new ATOM 1462 N PHE A 93 3.091 0.978 -5.164 1.00 0.00 N ATOM 1463 CA PHE A 93 2.321 2.086 -4.637 1.00 0.00 C ATOM 1464 C PHE A 93 2.299 3.226 -5.646 1.00 0.00 C ATOM 1465 O PHE A 93 3.197 4.064 -5.661 1.00 0.00 O ATOM 1466 CB PHE A 93 2.930 2.546 -3.315 1.00 0.00 C ATOM 1467 CG PHE A 93 3.988 3.610 -3.477 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.277 3.259 -3.894 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.679 4.951 -3.213 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.257 4.247 -4.047 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.659 5.938 -3.365 1.00 0.00 C ATOM 1472 CZ PHE A 93 5.949 5.586 -3.782 1.00 0.00 C ATOM 0 H PHE A 93 3.981 1.246 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 93 1.295 1.766 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.137 2.928 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.366 1.686 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.516 2.226 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.684 5.223 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.251 3.976 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.421 6.971 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.706 6.348 -3.899 1.00 0.00 H new ATOM 1482 N LYS A 94 1.266 3.254 -6.493 1.00 0.00 N ATOM 1483 CA LYS A 94 1.133 4.289 -7.499 1.00 0.00 C ATOM 1484 C LYS A 94 -0.312 4.370 -7.970 1.00 0.00 C ATOM 1485 O LYS A 94 -1.070 3.414 -7.824 1.00 0.00 O ATOM 1486 CB LYS A 94 2.066 3.984 -8.668 1.00 0.00 C ATOM 1487 CG LYS A 94 1.810 2.563 -9.164 1.00 0.00 C ATOM 1488 CD LYS A 94 3.135 1.812 -9.260 1.00 0.00 C ATOM 1489 CE LYS A 94 3.718 1.985 -10.660 1.00 0.00 C ATOM 1490 NZ LYS A 94 4.223 3.353 -10.856 1.00 0.00 N ATOM 0 H LYS A 94 0.513 2.566 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 94 1.409 5.253 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.901 4.698 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.105 4.090 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.134 2.045 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.323 2.589 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.834 2.190 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.982 0.754 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.526 1.270 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.954 1.765 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.846 3.377 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.423 4.001 -11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.758 3.650 -10.015 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.691 5.517 -8.537 1.00 0.00 N ATOM 1505 CA PRO A 95 -2.022 5.776 -9.044 1.00 0.00 C ATOM 1506 C PRO A 95 -2.240 4.988 -10.328 1.00 0.00 C ATOM 1507 O PRO A 95 -3.290 5.102 -10.958 1.00 0.00 O ATOM 1508 CB PRO A 95 -2.053 7.279 -9.314 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.598 7.591 -9.657 1.00 0.00 C ATOM 1510 CD PRO A 95 0.174 6.662 -8.724 1.00 0.00 C ATOM 0 HA PRO A 95 -2.807 5.478 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.725 7.529 -10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.392 7.840 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.377 7.388 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.355 8.638 -9.477 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.129 6.368 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.394 7.150 -7.774 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.246 4.185 -10.714 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.332 3.386 -11.919 1.00 0.00 C ATOM 1520 C VAL A 96 -1.902 4.224 -13.054 1.00 0.00 C ATOM 1521 O VAL A 96 -3.097 4.162 -13.335 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.209 2.164 -11.656 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.370 1.365 -12.945 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.553 1.288 -10.592 1.00 0.00 C ATOM 0 H VAL A 96 -0.371 4.077 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.337 3.048 -12.208 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.189 2.489 -11.307 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.996 0.493 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.838 1.991 -13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.391 1.040 -13.296 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.178 0.415 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.573 0.964 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.439 1.859 -9.670 1.00 0.00 H new ATOM 1534 N ASP A 97 -1.043 5.008 -13.709 1.00 0.00 N ATOM 1535 CA ASP A 97 -1.464 5.854 -14.808 1.00 0.00 C ATOM 1536 C ASP A 97 -1.701 5.005 -16.048 1.00 0.00 C ATOM 1537 O ASP A 97 -1.466 3.798 -16.031 1.00 0.00 O ATOM 1538 CB ASP A 97 -0.397 6.912 -15.072 1.00 0.00 C ATOM 1539 CG ASP A 97 -0.790 8.246 -14.455 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -0.851 8.299 -13.207 1.00 0.00 O ATOM 1541 OD2 ASP A 97 -1.022 9.189 -15.241 1.00 0.00 O ATOM 0 H ASP A 97 -0.049 5.069 -13.490 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.397 6.355 -14.551 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.557 6.583 -14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.256 7.031 -16.146 1.00 0.00 H new ATOM 1546 N ALA A 98 -2.168 5.637 -17.127 1.00 0.00 N ATOM 1547 CA ALA A 98 -2.436 4.939 -18.368 1.00 0.00 C ATOM 1548 C ALA A 98 -1.612 5.551 -19.492 1.00 0.00 C ATOM 1549 O ALA A 98 -1.396 6.761 -19.518 1.00 0.00 O ATOM 1550 CB ALA A 98 -3.927 5.018 -18.684 1.00 0.00 C ATOM 0 H ALA A 98 -2.367 6.637 -17.157 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.155 3.891 -18.268 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.129 4.493 -19.618 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.495 4.555 -17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.223 6.062 -18.783 1.00 0.00 H new ATOM 1556 N SER A 99 -1.153 4.711 -20.423 1.00 0.00 N ATOM 1557 CA SER A 99 -0.358 5.174 -21.543 1.00 0.00 C ATOM 1558 C SER A 99 0.060 3.991 -22.404 1.00 0.00 C ATOM 1559 O SER A 99 -0.256 3.940 -23.590 1.00 0.00 O ATOM 1560 CB SER A 99 0.865 5.923 -21.022 1.00 0.00 C ATOM 1561 OG SER A 99 1.073 7.081 -21.799 1.00 0.00 O ATOM 0 H SER A 99 -1.324 3.705 -20.415 1.00 0.00 H new ATOM 0 HA SER A 99 -0.949 5.853 -22.157 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.720 6.195 -19.976 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.744 5.280 -21.065 1.00 0.00 H new ATOM 0 HG SER A 99 1.857 7.563 -21.464 1.00 0.00 H new ATOM 1567 N ALA A 100 0.773 3.036 -21.800 1.00 0.00 N ATOM 1568 CA ALA A 100 1.231 1.859 -22.512 1.00 0.00 C ATOM 1569 C ALA A 100 2.147 2.272 -23.654 1.00 0.00 C ATOM 1570 O ALA A 100 2.440 3.454 -23.823 1.00 0.00 O ATOM 1571 CB ALA A 100 0.026 1.083 -23.038 1.00 0.00 C ATOM 0 H ALA A 100 1.042 3.063 -20.816 1.00 0.00 H new ATOM 0 HA ALA A 100 1.794 1.215 -21.836 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.369 0.198 -23.574 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.605 0.780 -22.202 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.548 1.717 -23.714 1.00 0.00 H new ATOM 1577 N ASN A 101 2.601 1.293 -24.441 1.00 0.00 N ATOM 1578 CA ASN A 101 3.481 1.560 -25.562 1.00 0.00 C ATOM 1579 C ASN A 101 2.950 0.874 -26.813 1.00 0.00 C ATOM 1580 O ASN A 101 2.044 0.048 -26.735 1.00 0.00 O ATOM 1581 CB ASN A 101 4.887 1.068 -25.230 1.00 0.00 C ATOM 1582 CG ASN A 101 5.934 1.857 -26.003 1.00 0.00 C ATOM 1583 OD1 ASN A 101 6.147 1.612 -27.188 1.00 0.00 O ATOM 1584 ND2 ASN A 101 6.586 2.807 -25.330 1.00 0.00 N ATOM 0 H ASN A 101 2.368 0.308 -24.315 1.00 0.00 H new ATOM 0 HA ASN A 101 3.520 2.633 -25.751 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.068 1.167 -24.160 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.973 0.008 -25.471 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.297 3.368 -25.799 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.373 2.973 -24.346 1.00 0.00 H new ATOM 1591 N ALA A 102 3.520 1.219 -27.969 1.00 0.00 N ATOM 1592 CA ALA A 102 3.105 0.638 -29.230 1.00 0.00 C ATOM 1593 C ALA A 102 3.646 -0.779 -29.347 1.00 0.00 C ATOM 1594 O ALA A 102 2.920 -1.744 -29.118 1.00 0.00 O ATOM 1595 CB ALA A 102 3.608 1.506 -30.379 1.00 0.00 C ATOM 1596 OXT ALA A 102 4.816 -0.975 -29.674 1.00 0.00 O ATOM 0 H ALA A 102 4.273 1.902 -28.049 1.00 0.00 H new ATOM 0 HA ALA A 102 2.017 0.595 -29.275 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.296 1.070 -31.328 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.192 2.509 -30.287 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.696 1.560 -30.345 1.00 0.00 H new TER 1602 ALA A 102