USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 79 LYS NZ :NH3+ 170:sc= 1.57 (180deg=0.903) USER MOD Set 1.2: A 92 TYR OH : rot -22:sc= -0.78 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.337 K(o=0.65,f=-0.3) USER MOD Set 2.2: A 74 SER OG : rot -160:sc= 0.317 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0395 (180deg=-0.357) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 1.11 K(o=1.1,f=-0.23) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0206 (180deg=-0.223) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= 0.78 (180deg=-1.11!) USER MOD Single : A 14 TYR OH : rot 57:sc= 0.101 USER MOD Single : A 20 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.075) USER MOD Single : A 21 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6.8!) USER MOD Single : A 27 THR OG1 : rot -170:sc= 1.03 USER MOD Single : A 28 TYR OH : rot -32:sc= 0.427 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.059 F(o=-1.5!,f=-0.059) USER MOD Single : A 34 ASN : amide:sc= -0.0732 K(o=-0.073,f=-3) USER MOD Single : A 40 HIS : no HD1:sc=-0.00905 X(o=-0.009,f=-0.009) USER MOD Single : A 41 THR OG1 : rot 80:sc= -0.566 USER MOD Single : A 44 SER OG : rot 81:sc= 1.22 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.17 F(o=-1.3,f=-0.17) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.04) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 1.05 (180deg=0.886) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.111 F(o=-0.62,f=-0.11) USER MOD Single : A 68 ASN : amide:sc= 0.0294 X(o=0.029,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -142:sc= -0.527 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 80 HIS : no HE2:sc= 0.937 K(o=0.94,f=-5.9!) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.163 (180deg=-0.786) USER MOD Single : A 84 LYS NZ :NH3+ -143:sc= -0.0729 (180deg=-0.491) USER MOD Single : A 87 SER OG : rot 82:sc= 0.178 USER MOD Single : A 88 TYR OH : rot 60:sc= -0.264 USER MOD Single : A 89 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.93) USER MOD Single : A 97 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.53) USER MOD Single : A 98 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0.033) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc=-0.00165 X(o=-0.0016,f=-0.0016) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.674 -1.610 -2.676 1.00 0.00 N ATOM 2 CA MET A 1 26.437 -1.369 -4.120 1.00 0.00 C ATOM 3 C MET A 1 25.004 -0.916 -4.355 1.00 0.00 C ATOM 4 O MET A 1 24.093 -1.743 -4.424 1.00 0.00 O ATOM 5 CB MET A 1 26.706 -2.642 -4.930 1.00 0.00 C ATOM 6 CG MET A 1 28.126 -3.165 -4.805 1.00 0.00 C ATOM 7 SD MET A 1 28.362 -4.744 -5.644 1.00 0.00 S ATOM 8 CE MET A 1 30.084 -5.060 -5.266 1.00 0.00 C ATOM 0 H1 MET A 1 27.697 -1.634 -2.491 1.00 0.00 H new ATOM 0 H2 MET A 1 26.240 -0.845 -2.121 1.00 0.00 H new ATOM 0 H3 MET A 1 26.251 -2.520 -2.402 1.00 0.00 H new ATOM 0 HA MET A 1 27.121 -0.586 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.014 -3.419 -4.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.494 -2.443 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.817 -2.431 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.376 -3.278 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.388 -6.005 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.698 -4.254 -5.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.215 -5.113 -4.185 1.00 0.00 H new ATOM 20 N SER A 2 24.821 0.401 -4.463 1.00 0.00 N ATOM 21 CA SER A 2 23.507 1.009 -4.667 1.00 0.00 C ATOM 22 C SER A 2 22.645 0.886 -3.409 1.00 0.00 C ATOM 23 O SER A 2 22.875 0.024 -2.556 1.00 0.00 O ATOM 24 CB SER A 2 22.793 0.396 -5.879 1.00 0.00 C ATOM 25 OG SER A 2 21.581 1.078 -6.166 1.00 0.00 O ATOM 0 H SER A 2 25.583 1.077 -4.411 1.00 0.00 H new ATOM 0 HA SER A 2 23.661 2.069 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.449 0.436 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.583 -0.656 -5.686 1.00 0.00 H new ATOM 0 HG SER A 2 21.150 0.666 -6.944 1.00 0.00 H new ATOM 31 N ASN A 3 21.672 1.774 -3.289 1.00 0.00 N ATOM 32 CA ASN A 3 20.790 1.799 -2.130 1.00 0.00 C ATOM 33 C ASN A 3 19.363 2.089 -2.568 1.00 0.00 C ATOM 34 O ASN A 3 18.498 2.382 -1.744 1.00 0.00 O ATOM 35 CB ASN A 3 21.239 2.873 -1.129 1.00 0.00 C ATOM 36 CG ASN A 3 22.635 2.633 -0.582 1.00 0.00 C ATOM 37 OD1 ASN A 3 23.630 3.095 -1.146 1.00 0.00 O ATOM 38 ND2 ASN A 3 22.718 1.916 0.524 1.00 0.00 N ATOM 0 H ASN A 3 21.471 2.493 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 3 20.835 0.823 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.208 3.849 -1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.532 2.907 -0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 3 23.629 1.727 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 3 21.871 1.551 0.960 1.00 0.00 H new ATOM 45 N LEU A 4 19.122 2.002 -3.873 1.00 0.00 N ATOM 46 CA LEU A 4 17.845 2.398 -4.439 1.00 0.00 C ATOM 47 C LEU A 4 17.192 1.239 -5.176 1.00 0.00 C ATOM 48 O LEU A 4 17.426 0.072 -4.857 1.00 0.00 O ATOM 49 CB LEU A 4 18.026 3.586 -5.404 1.00 0.00 C ATOM 50 CG LEU A 4 18.381 4.935 -4.763 1.00 0.00 C ATOM 51 CD1 LEU A 4 17.449 5.244 -3.602 1.00 0.00 C ATOM 52 CD2 LEU A 4 19.835 4.966 -4.318 1.00 0.00 C ATOM 0 H LEU A 4 19.798 1.660 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 4 17.197 2.699 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 4 18.808 3.330 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.104 3.709 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 4 18.249 5.710 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 4 17.720 6.205 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 4 16.421 5.286 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 4 17.537 4.463 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 4 20.057 5.934 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.008 4.177 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 4 20.483 4.810 -5.181 1.00 0.00 H new ATOM 64 N GLU A 5 16.389 1.592 -6.175 1.00 0.00 N ATOM 65 CA GLU A 5 15.593 0.642 -6.952 1.00 0.00 C ATOM 66 C GLU A 5 14.483 0.019 -6.111 1.00 0.00 C ATOM 67 O GLU A 5 14.301 0.362 -4.943 1.00 0.00 O ATOM 68 CB GLU A 5 16.469 -0.438 -7.593 1.00 0.00 C ATOM 69 CG GLU A 5 17.243 0.064 -8.800 1.00 0.00 C ATOM 70 CD GLU A 5 16.329 0.632 -9.867 1.00 0.00 C ATOM 71 OE1 GLU A 5 15.859 -0.139 -10.726 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.070 1.855 -9.847 1.00 0.00 O ATOM 0 H GLU A 5 16.270 2.560 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 5 15.121 1.205 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.171 -0.817 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.841 -1.276 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.950 0.831 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.827 -0.754 -9.221 1.00 0.00 H new ATOM 79 N ILE A 6 13.730 -0.882 -6.724 1.00 0.00 N ATOM 80 CA ILE A 6 12.552 -1.450 -6.094 1.00 0.00 C ATOM 81 C ILE A 6 12.918 -2.618 -5.189 1.00 0.00 C ATOM 82 O ILE A 6 13.265 -3.700 -5.660 1.00 0.00 O ATOM 83 CB ILE A 6 11.528 -1.923 -7.148 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.176 -0.776 -8.103 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.273 -2.454 -6.470 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.238 -1.177 -9.224 1.00 0.00 C ATOM 0 H ILE A 6 13.917 -1.236 -7.662 1.00 0.00 H new ATOM 0 HA ILE A 6 12.103 -0.661 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 6 11.976 -2.731 -7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.719 0.032 -7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.095 -0.381 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.562 -2.783 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.534 -3.295 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.823 -1.664 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.036 -0.312 -9.856 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.700 -1.964 -9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.302 -1.544 -8.802 1.00 0.00 H new ATOM 98 N LYS A 7 12.853 -2.382 -3.890 1.00 0.00 N ATOM 99 CA LYS A 7 13.061 -3.431 -2.916 1.00 0.00 C ATOM 100 C LYS A 7 11.713 -4.058 -2.583 1.00 0.00 C ATOM 101 O LYS A 7 10.837 -3.403 -2.018 1.00 0.00 O ATOM 102 CB LYS A 7 13.725 -2.863 -1.657 1.00 0.00 C ATOM 103 CG LYS A 7 14.323 -3.923 -0.751 1.00 0.00 C ATOM 104 CD LYS A 7 15.467 -4.656 -1.434 1.00 0.00 C ATOM 105 CE LYS A 7 16.106 -5.679 -0.510 1.00 0.00 C ATOM 106 NZ LYS A 7 16.716 -5.052 0.695 1.00 0.00 N ATOM 0 H LYS A 7 12.656 -1.466 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 7 13.724 -4.193 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.509 -2.167 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.987 -2.291 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.683 -3.458 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.551 -4.637 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.097 -5.155 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.219 -3.937 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.353 -6.403 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.871 -6.230 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.336 -5.740 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.274 -4.222 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.965 -4.755 1.350 1.00 0.00 H new ATOM 120 N GLN A 8 11.537 -5.314 -2.962 1.00 0.00 N ATOM 121 CA GLN A 8 10.243 -5.968 -2.831 1.00 0.00 C ATOM 122 C GLN A 8 9.979 -6.413 -1.398 1.00 0.00 C ATOM 123 O GLN A 8 10.904 -6.562 -0.593 1.00 0.00 O ATOM 124 CB GLN A 8 10.143 -7.168 -3.779 1.00 0.00 C ATOM 125 CG GLN A 8 11.102 -8.298 -3.445 1.00 0.00 C ATOM 126 CD GLN A 8 11.001 -9.452 -4.421 1.00 0.00 C ATOM 127 OE1 GLN A 8 11.707 -9.493 -5.428 1.00 0.00 O ATOM 128 NE2 GLN A 8 10.121 -10.397 -4.131 1.00 0.00 N ATOM 0 H GLN A 8 12.270 -5.900 -3.361 1.00 0.00 H new ATOM 0 HA GLN A 8 9.482 -5.236 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.123 -7.552 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.335 -6.831 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.123 -7.916 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.896 -8.659 -2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.555 -10.325 -3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.009 -11.198 -4.753 1.00 0.00 H new ATOM 137 N GLY A 9 8.708 -6.603 -1.093 1.00 0.00 N ATOM 138 CA GLY A 9 8.296 -7.118 0.192 1.00 0.00 C ATOM 139 C GLY A 9 6.956 -7.807 0.080 1.00 0.00 C ATOM 140 O GLY A 9 6.357 -7.821 -0.998 1.00 0.00 O ATOM 0 H GLY A 9 7.937 -6.404 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.042 -7.819 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.234 -6.304 0.914 1.00 0.00 H new ATOM 144 N GLU A 10 6.471 -8.369 1.174 1.00 0.00 N ATOM 145 CA GLU A 10 5.203 -9.087 1.158 1.00 0.00 C ATOM 146 C GLU A 10 4.036 -8.117 1.000 1.00 0.00 C ATOM 147 O GLU A 10 3.665 -7.414 1.943 1.00 0.00 O ATOM 148 CB GLU A 10 5.010 -9.947 2.422 1.00 0.00 C ATOM 149 CG GLU A 10 6.147 -9.875 3.434 1.00 0.00 C ATOM 150 CD GLU A 10 6.244 -8.527 4.112 1.00 0.00 C ATOM 151 OE1 GLU A 10 5.453 -8.258 5.037 1.00 0.00 O ATOM 152 OE2 GLU A 10 7.096 -7.716 3.702 1.00 0.00 O ATOM 0 H GLU A 10 6.933 -8.344 2.083 1.00 0.00 H new ATOM 0 HA GLU A 10 5.227 -9.759 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.087 -9.640 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.879 -10.986 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.004 -10.647 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.089 -10.092 2.931 1.00 0.00 H new ATOM 159 N ASN A 11 3.496 -8.073 -0.218 1.00 0.00 N ATOM 160 CA ASN A 11 2.334 -7.245 -0.560 1.00 0.00 C ATOM 161 C ASN A 11 2.681 -5.758 -0.613 1.00 0.00 C ATOM 162 O ASN A 11 1.791 -4.907 -0.541 1.00 0.00 O ATOM 163 CB ASN A 11 1.159 -7.472 0.406 1.00 0.00 C ATOM 164 CG ASN A 11 0.538 -8.850 0.264 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.314 -9.076 -0.595 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.945 -9.777 1.118 1.00 0.00 N ATOM 0 H ASN A 11 3.855 -8.615 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 11 2.026 -7.560 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.506 -7.339 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.396 -6.714 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.550 -10.717 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.654 -9.551 1.816 1.00 0.00 H new ATOM 173 N LYS A 12 3.960 -5.433 -0.761 1.00 0.00 N ATOM 174 CA LYS A 12 4.350 -4.039 -0.927 1.00 0.00 C ATOM 175 C LYS A 12 5.689 -3.909 -1.636 1.00 0.00 C ATOM 176 O LYS A 12 6.554 -4.775 -1.523 1.00 0.00 O ATOM 177 CB LYS A 12 4.401 -3.295 0.420 1.00 0.00 C ATOM 178 CG LYS A 12 5.634 -3.571 1.277 1.00 0.00 C ATOM 179 CD LYS A 12 5.347 -4.557 2.397 1.00 0.00 C ATOM 180 CE LYS A 12 6.435 -4.507 3.462 1.00 0.00 C ATOM 181 NZ LYS A 12 6.162 -5.437 4.588 1.00 0.00 N ATOM 0 H LYS A 12 4.731 -6.101 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 12 3.582 -3.578 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.347 -2.224 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.514 -3.559 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.432 -3.963 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.995 -2.635 1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.381 -4.329 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.278 -5.566 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.395 -4.758 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.519 -3.490 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.339 -4.951 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.170 -5.747 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.786 -6.265 4.513 1.00 0.00 H new ATOM 195 N PHE A 13 5.835 -2.827 -2.384 1.00 0.00 N ATOM 196 CA PHE A 13 7.106 -2.461 -2.980 1.00 0.00 C ATOM 197 C PHE A 13 7.577 -1.162 -2.355 1.00 0.00 C ATOM 198 O PHE A 13 6.788 -0.237 -2.180 1.00 0.00 O ATOM 199 CB PHE A 13 6.983 -2.284 -4.497 1.00 0.00 C ATOM 200 CG PHE A 13 6.668 -3.546 -5.249 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.477 -4.664 -5.122 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.571 -3.608 -6.095 1.00 0.00 C ATOM 203 CE1 PHE A 13 7.197 -5.821 -5.823 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.287 -4.765 -6.796 1.00 0.00 C ATOM 205 CZ PHE A 13 6.100 -5.872 -6.659 1.00 0.00 C ATOM 0 H PHE A 13 5.075 -2.179 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 13 7.823 -3.260 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.204 -1.550 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.917 -1.872 -4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.336 -4.630 -4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.933 -2.744 -6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.836 -6.685 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.429 -4.803 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.878 -6.777 -7.205 1.00 0.00 H new ATOM 215 N TYR A 14 8.842 -1.094 -2.002 1.00 0.00 N ATOM 216 CA TYR A 14 9.379 0.095 -1.371 1.00 0.00 C ATOM 217 C TYR A 14 10.766 0.404 -1.902 1.00 0.00 C ATOM 218 O TYR A 14 11.519 -0.497 -2.265 1.00 0.00 O ATOM 219 CB TYR A 14 9.405 -0.063 0.156 1.00 0.00 C ATOM 220 CG TYR A 14 10.018 -1.356 0.646 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.250 -2.509 0.760 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.359 -1.427 0.994 1.00 0.00 C ATOM 223 CE1 TYR A 14 9.799 -3.693 1.207 1.00 0.00 C ATOM 224 CE2 TYR A 14 11.917 -2.609 1.443 1.00 0.00 C ATOM 225 CZ TYR A 14 11.133 -3.739 1.545 1.00 0.00 C ATOM 226 OH TYR A 14 11.684 -4.921 1.988 1.00 0.00 O ATOM 0 H TYR A 14 9.518 -1.845 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 14 8.726 0.933 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.959 0.772 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.384 0.005 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.204 -2.477 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.977 -0.545 0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.186 -4.578 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.962 -2.648 1.713 1.00 0.00 H new ATOM 0 HH TYR A 14 11.540 -5.621 1.317 1.00 0.00 H new ATOM 236 N ILE A 15 11.089 1.680 -1.971 1.00 0.00 N ATOM 237 CA ILE A 15 12.408 2.095 -2.392 1.00 0.00 C ATOM 238 C ILE A 15 13.180 2.662 -1.209 1.00 0.00 C ATOM 239 O ILE A 15 12.727 3.596 -0.526 1.00 0.00 O ATOM 240 CB ILE A 15 12.359 3.097 -3.570 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.818 2.387 -4.819 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.739 3.694 -3.836 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.858 3.217 -6.085 1.00 0.00 C ATOM 0 H ILE A 15 10.455 2.445 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 15 12.933 1.214 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 15 11.692 3.919 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.393 1.475 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.788 2.085 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.678 4.395 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.087 4.218 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.439 2.896 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.457 2.635 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.258 4.117 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.888 3.498 -6.304 1.00 0.00 H new ATOM 255 N GLY A 16 14.326 2.045 -0.969 1.00 0.00 N ATOM 256 CA GLY A 16 15.165 2.361 0.161 1.00 0.00 C ATOM 257 C GLY A 16 16.014 1.156 0.512 1.00 0.00 C ATOM 258 O GLY A 16 15.934 0.133 -0.171 1.00 0.00 O ATOM 0 H GLY A 16 14.698 1.304 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.803 3.213 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.551 2.648 1.015 1.00 0.00 H new ATOM 262 N ASP A 17 16.828 1.256 1.554 1.00 0.00 N ATOM 263 CA ASP A 17 17.655 0.124 1.970 1.00 0.00 C ATOM 264 C ASP A 17 16.808 -0.992 2.559 1.00 0.00 C ATOM 265 O ASP A 17 17.061 -2.177 2.316 1.00 0.00 O ATOM 266 CB ASP A 17 18.723 0.553 2.978 1.00 0.00 C ATOM 267 CG ASP A 17 19.874 1.272 2.313 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.698 0.598 1.658 1.00 0.00 O ATOM 269 OD2 ASP A 17 19.963 2.507 2.445 1.00 0.00 O ATOM 0 H ASP A 17 16.935 2.096 2.122 1.00 0.00 H new ATOM 0 HA ASP A 17 18.153 -0.252 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.273 1.204 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.099 -0.325 3.503 1.00 0.00 H new ATOM 274 N ASP A 18 15.802 -0.612 3.328 1.00 0.00 N ATOM 275 CA ASP A 18 14.917 -1.579 3.954 1.00 0.00 C ATOM 276 C ASP A 18 13.534 -0.969 4.137 1.00 0.00 C ATOM 277 O ASP A 18 13.254 0.105 3.607 1.00 0.00 O ATOM 278 CB ASP A 18 15.480 -2.025 5.302 1.00 0.00 C ATOM 279 CG ASP A 18 15.105 -3.454 5.633 1.00 0.00 C ATOM 280 OD1 ASP A 18 13.982 -3.685 6.118 1.00 0.00 O ATOM 281 OD2 ASP A 18 15.934 -4.353 5.388 1.00 0.00 O ATOM 0 H ASP A 18 15.578 0.361 3.534 1.00 0.00 H new ATOM 0 HA ASP A 18 14.838 -2.454 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.566 -1.929 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.110 -1.363 6.085 1.00 0.00 H new ATOM 286 N GLU A 19 12.678 -1.636 4.901 1.00 0.00 N ATOM 287 CA GLU A 19 11.307 -1.174 5.085 1.00 0.00 C ATOM 288 C GLU A 19 11.175 -0.284 6.316 1.00 0.00 C ATOM 289 O GLU A 19 10.161 0.386 6.503 1.00 0.00 O ATOM 290 CB GLU A 19 10.334 -2.361 5.144 1.00 0.00 C ATOM 291 CG GLU A 19 10.775 -3.514 6.038 1.00 0.00 C ATOM 292 CD GLU A 19 10.614 -3.232 7.518 1.00 0.00 C ATOM 293 OE1 GLU A 19 9.495 -3.410 8.038 1.00 0.00 O ATOM 294 OE2 GLU A 19 11.608 -2.864 8.179 1.00 0.00 O ATOM 0 H GLU A 19 12.907 -2.495 5.401 1.00 0.00 H new ATOM 0 HA GLU A 19 11.043 -0.566 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.366 -2.001 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.187 -2.741 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.198 -4.402 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.821 -3.743 5.832 1.00 0.00 H new ATOM 301 N ASN A 20 12.210 -0.268 7.145 1.00 0.00 N ATOM 302 CA ASN A 20 12.220 0.580 8.333 1.00 0.00 C ATOM 303 C ASN A 20 12.724 1.974 7.988 1.00 0.00 C ATOM 304 O ASN A 20 12.425 2.942 8.684 1.00 0.00 O ATOM 305 CB ASN A 20 13.072 -0.034 9.454 1.00 0.00 C ATOM 306 CG ASN A 20 14.494 -0.348 9.030 1.00 0.00 C ATOM 307 OD1 ASN A 20 15.380 0.504 9.093 1.00 0.00 O ATOM 308 ND2 ASN A 20 14.723 -1.582 8.611 1.00 0.00 N ATOM 0 H ASN A 20 13.052 -0.830 7.019 1.00 0.00 H new ATOM 0 HA ASN A 20 11.195 0.656 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 20 13.097 0.654 10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.595 -0.950 9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.663 -1.857 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.960 -2.258 8.574 1.00 0.00 H new ATOM 315 N ASN A 21 13.475 2.076 6.903 1.00 0.00 N ATOM 316 CA ASN A 21 13.982 3.363 6.453 1.00 0.00 C ATOM 317 C ASN A 21 13.582 3.606 5.001 1.00 0.00 C ATOM 318 O ASN A 21 14.252 4.331 4.270 1.00 0.00 O ATOM 319 CB ASN A 21 15.508 3.439 6.619 1.00 0.00 C ATOM 320 CG ASN A 21 16.272 2.491 5.707 1.00 0.00 C ATOM 321 OD1 ASN A 21 15.792 1.414 5.352 1.00 0.00 O ATOM 322 ND2 ASN A 21 17.479 2.886 5.336 1.00 0.00 N ATOM 0 H ASN A 21 13.747 1.285 6.319 1.00 0.00 H new ATOM 0 HA ASN A 21 13.540 4.145 7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 21 15.835 4.460 6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.763 3.216 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.048 2.291 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.841 3.786 5.652 1.00 0.00 H new ATOM 329 N ALA A 22 12.468 2.996 4.599 1.00 0.00 N ATOM 330 CA ALA A 22 11.943 3.156 3.249 1.00 0.00 C ATOM 331 C ALA A 22 11.568 4.608 2.985 1.00 0.00 C ATOM 332 O ALA A 22 10.759 5.189 3.707 1.00 0.00 O ATOM 333 CB ALA A 22 10.734 2.253 3.035 1.00 0.00 C ATOM 0 H ALA A 22 11.911 2.384 5.195 1.00 0.00 H new ATOM 0 HA ALA A 22 12.724 2.867 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.355 2.386 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.027 1.213 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.954 2.513 3.751 1.00 0.00 H new ATOM 339 N LEU A 23 12.162 5.189 1.953 1.00 0.00 N ATOM 340 CA LEU A 23 11.900 6.578 1.616 1.00 0.00 C ATOM 341 C LEU A 23 10.547 6.707 0.933 1.00 0.00 C ATOM 342 O LEU A 23 9.918 7.768 0.965 1.00 0.00 O ATOM 343 CB LEU A 23 13.011 7.131 0.722 1.00 0.00 C ATOM 344 CG LEU A 23 14.413 7.118 1.345 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.433 7.701 0.378 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.421 7.891 2.658 1.00 0.00 C ATOM 0 H LEU A 23 12.827 4.721 1.337 1.00 0.00 H new ATOM 0 HA LEU A 23 11.880 7.163 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.035 6.552 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.761 8.156 0.449 1.00 0.00 H new ATOM 0 HG LEU A 23 14.687 6.084 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.421 7.683 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.447 7.108 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.162 8.729 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.423 7.871 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.125 8.924 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.720 7.432 3.355 1.00 0.00 H new ATOM 358 N ALA A 24 10.112 5.623 0.303 1.00 0.00 N ATOM 359 CA ALA A 24 8.781 5.563 -0.288 1.00 0.00 C ATOM 360 C ALA A 24 8.321 4.118 -0.417 1.00 0.00 C ATOM 361 O ALA A 24 9.065 3.274 -0.924 1.00 0.00 O ATOM 362 CB ALA A 24 8.772 6.244 -1.648 1.00 0.00 C ATOM 0 H ALA A 24 10.663 4.772 0.188 1.00 0.00 H new ATOM 0 HA ALA A 24 8.089 6.090 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.771 6.190 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.062 7.288 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.477 5.742 -2.311 1.00 0.00 H new ATOM 368 N GLU A 25 7.113 3.825 0.051 1.00 0.00 N ATOM 369 CA GLU A 25 6.573 2.478 -0.070 1.00 0.00 C ATOM 370 C GLU A 25 5.146 2.509 -0.620 1.00 0.00 C ATOM 371 O GLU A 25 4.406 3.474 -0.426 1.00 0.00 O ATOM 372 CB GLU A 25 6.626 1.733 1.279 1.00 0.00 C ATOM 373 CG GLU A 25 5.460 2.001 2.227 1.00 0.00 C ATOM 374 CD GLU A 25 5.461 3.391 2.831 1.00 0.00 C ATOM 375 OE1 GLU A 25 4.853 4.301 2.236 1.00 0.00 O ATOM 376 OE2 GLU A 25 6.033 3.571 3.926 1.00 0.00 O ATOM 0 H GLU A 25 6.496 4.494 0.512 1.00 0.00 H new ATOM 0 HA GLU A 25 7.197 1.932 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.671 0.662 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.552 2.002 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.525 1.852 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.484 1.267 3.032 1.00 0.00 H new ATOM 383 N ILE A 26 4.779 1.456 -1.332 1.00 0.00 N ATOM 384 CA ILE A 26 3.434 1.320 -1.858 1.00 0.00 C ATOM 385 C ILE A 26 2.902 -0.084 -1.573 1.00 0.00 C ATOM 386 O ILE A 26 3.551 -1.086 -1.886 1.00 0.00 O ATOM 387 CB ILE A 26 3.378 1.632 -3.376 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.946 1.495 -3.903 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.326 0.733 -4.157 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.776 1.963 -5.334 1.00 0.00 C ATOM 0 H ILE A 26 5.400 0.679 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 26 2.799 2.050 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 26 3.701 2.663 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.641 0.451 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.276 2.067 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.265 0.975 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.346 0.889 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.046 -0.310 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.737 1.836 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.049 3.016 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.420 1.375 -5.988 1.00 0.00 H new ATOM 402 N THR A 27 1.736 -0.150 -0.953 1.00 0.00 N ATOM 403 CA THR A 27 1.139 -1.421 -0.572 1.00 0.00 C ATOM 404 C THR A 27 -0.025 -1.774 -1.489 1.00 0.00 C ATOM 405 O THR A 27 -0.817 -0.906 -1.854 1.00 0.00 O ATOM 406 CB THR A 27 0.637 -1.376 0.882 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.087 -0.160 1.103 1.00 0.00 O ATOM 408 CG2 THR A 27 1.788 -1.461 1.871 1.00 0.00 C ATOM 0 H THR A 27 1.180 0.667 -0.701 1.00 0.00 H new ATOM 0 HA THR A 27 1.912 -2.184 -0.664 1.00 0.00 H new ATOM 0 HB THR A 27 -0.014 -2.236 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.269 -0.057 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.397 -1.426 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.328 -2.396 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.465 -0.622 1.714 1.00 0.00 H new ATOM 416 N TYR A 28 -0.127 -3.045 -1.851 1.00 0.00 N ATOM 417 CA TYR A 28 -1.215 -3.516 -2.695 1.00 0.00 C ATOM 418 C TYR A 28 -1.443 -4.999 -2.445 1.00 0.00 C ATOM 419 O TYR A 28 -0.496 -5.743 -2.193 1.00 0.00 O ATOM 420 CB TYR A 28 -0.909 -3.264 -4.181 1.00 0.00 C ATOM 421 CG TYR A 28 0.074 -4.243 -4.789 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.435 -4.166 -4.510 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.365 -5.254 -5.634 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.326 -5.068 -5.059 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.520 -6.159 -6.185 1.00 0.00 C ATOM 426 CZ TYR A 28 1.864 -6.063 -5.894 1.00 0.00 C ATOM 427 OH TYR A 28 2.750 -6.967 -6.439 1.00 0.00 O ATOM 0 H TYR A 28 0.533 -3.771 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.120 -2.963 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.841 -3.306 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.514 -2.254 -4.293 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.800 -3.389 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.417 -5.334 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.380 -4.994 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.161 -6.938 -6.841 1.00 0.00 H new ATOM 0 HH TYR A 28 3.615 -6.530 -6.586 1.00 0.00 H new ATOM 437 N ARG A 29 -2.689 -5.428 -2.500 1.00 0.00 N ATOM 438 CA ARG A 29 -3.011 -6.823 -2.247 1.00 0.00 C ATOM 439 C ARG A 29 -4.227 -7.261 -3.050 1.00 0.00 C ATOM 440 O ARG A 29 -5.122 -6.459 -3.328 1.00 0.00 O ATOM 441 CB ARG A 29 -3.248 -7.048 -0.749 1.00 0.00 C ATOM 442 CG ARG A 29 -4.297 -6.123 -0.154 1.00 0.00 C ATOM 443 CD ARG A 29 -4.379 -6.260 1.355 1.00 0.00 C ATOM 444 NE ARG A 29 -4.892 -7.564 1.768 1.00 0.00 N ATOM 445 CZ ARG A 29 -5.520 -7.782 2.923 1.00 0.00 C ATOM 446 NH1 ARG A 29 -5.713 -6.781 3.772 1.00 0.00 N ATOM 447 NH2 ARG A 29 -5.946 -9.000 3.228 1.00 0.00 N ATOM 0 H ARG A 29 -3.492 -4.837 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.164 -7.430 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.554 -8.082 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.308 -6.908 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.060 -5.091 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.269 -6.347 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.389 -6.109 1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.023 -5.476 1.754 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.762 -8.354 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.381 -5.845 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.194 -6.948 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.793 -9.771 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.427 -9.166 4.112 1.00 0.00 H new ATOM 461 N PHE A 30 -4.239 -8.531 -3.435 1.00 0.00 N ATOM 462 CA PHE A 30 -5.367 -9.115 -4.149 1.00 0.00 C ATOM 463 C PHE A 30 -6.494 -9.399 -3.168 1.00 0.00 C ATOM 464 O PHE A 30 -6.420 -10.352 -2.391 1.00 0.00 O ATOM 465 CB PHE A 30 -4.955 -10.416 -4.847 1.00 0.00 C ATOM 466 CG PHE A 30 -3.849 -10.256 -5.853 1.00 0.00 C ATOM 467 CD1 PHE A 30 -2.523 -10.261 -5.451 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.137 -10.114 -7.201 1.00 0.00 C ATOM 469 CE1 PHE A 30 -1.504 -10.122 -6.374 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.123 -9.974 -8.129 1.00 0.00 C ATOM 471 CZ PHE A 30 -1.804 -9.979 -7.715 1.00 0.00 C ATOM 0 H PHE A 30 -3.472 -9.181 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.704 -8.407 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.641 -11.136 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.827 -10.838 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.283 -10.375 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.166 -10.113 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.475 -10.125 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.361 -9.861 -9.176 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.009 -9.871 -8.439 1.00 0.00 H new ATOM 481 N VAL A 31 -7.524 -8.570 -3.190 1.00 0.00 N ATOM 482 CA VAL A 31 -8.610 -8.683 -2.223 1.00 0.00 C ATOM 483 C VAL A 31 -9.567 -9.819 -2.574 1.00 0.00 C ATOM 484 O VAL A 31 -10.127 -10.463 -1.684 1.00 0.00 O ATOM 485 CB VAL A 31 -9.397 -7.361 -2.076 1.00 0.00 C ATOM 486 CG1 VAL A 31 -8.524 -6.291 -1.446 1.00 0.00 C ATOM 487 CG2 VAL A 31 -9.930 -6.884 -3.418 1.00 0.00 C ATOM 0 H VAL A 31 -7.634 -7.812 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.140 -8.909 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.249 -7.550 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.094 -5.367 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.199 -6.621 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.652 -6.116 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.479 -5.952 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.098 -6.718 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.596 -7.640 -3.834 1.00 0.00 H new ATOM 497 N ASP A 32 -9.743 -10.078 -3.864 1.00 0.00 N ATOM 498 CA ASP A 32 -10.626 -11.149 -4.302 1.00 0.00 C ATOM 499 C ASP A 32 -9.963 -12.006 -5.372 1.00 0.00 C ATOM 500 O ASP A 32 -9.401 -13.057 -5.073 1.00 0.00 O ATOM 501 CB ASP A 32 -11.961 -10.594 -4.816 1.00 0.00 C ATOM 502 CG ASP A 32 -12.825 -10.022 -3.705 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.522 -10.804 -3.026 1.00 0.00 O ATOM 504 OD2 ASP A 32 -12.821 -8.787 -3.512 1.00 0.00 O ATOM 0 H ASP A 32 -9.289 -9.565 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.828 -11.778 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.766 -9.817 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.508 -11.388 -5.324 1.00 0.00 H new ATOM 509 N ASN A 33 -10.012 -11.553 -6.617 1.00 0.00 N ATOM 510 CA ASN A 33 -9.432 -12.314 -7.720 1.00 0.00 C ATOM 511 C ASN A 33 -8.441 -11.471 -8.502 1.00 0.00 C ATOM 512 O ASN A 33 -7.245 -11.759 -8.529 1.00 0.00 O ATOM 513 CB ASN A 33 -10.525 -12.833 -8.663 1.00 0.00 C ATOM 514 CG ASN A 33 -11.330 -13.982 -8.075 1.00 0.00 C ATOM 515 OD1 ASN A 33 -10.696 -14.794 -7.241 1.00 0.00 O flip ATOM 516 ND2 ASN A 33 -12.511 -14.141 -8.375 1.00 0.00 N flip ATOM 0 H ASN A 33 -10.443 -10.670 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.905 -13.165 -7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.201 -12.014 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.065 -13.160 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.965 -13.495 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.038 -14.919 -7.978 1.00 0.00 H new ATOM 523 N ASN A 34 -8.943 -10.429 -9.138 1.00 0.00 N ATOM 524 CA ASN A 34 -8.119 -9.562 -9.968 1.00 0.00 C ATOM 525 C ASN A 34 -8.127 -8.149 -9.405 1.00 0.00 C ATOM 526 O ASN A 34 -7.502 -7.238 -9.943 1.00 0.00 O ATOM 527 CB ASN A 34 -8.630 -9.567 -11.414 1.00 0.00 C ATOM 528 CG ASN A 34 -10.076 -9.119 -11.524 1.00 0.00 C ATOM 529 OD1 ASN A 34 -10.362 -7.936 -11.660 1.00 0.00 O ATOM 530 ND2 ASN A 34 -11.004 -10.069 -11.483 1.00 0.00 N ATOM 0 H ASN A 34 -9.926 -10.159 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.095 -9.936 -9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.004 -8.912 -12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.532 -10.571 -11.826 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.990 -9.822 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.730 -11.045 -11.369 1.00 0.00 H new ATOM 537 N GLU A 35 -8.849 -7.983 -8.314 1.00 0.00 N ATOM 538 CA GLU A 35 -8.972 -6.703 -7.654 1.00 0.00 C ATOM 539 C GLU A 35 -7.807 -6.486 -6.695 1.00 0.00 C ATOM 540 O GLU A 35 -7.583 -7.289 -5.784 1.00 0.00 O ATOM 541 CB GLU A 35 -10.295 -6.631 -6.879 1.00 0.00 C ATOM 542 CG GLU A 35 -11.541 -6.848 -7.730 1.00 0.00 C ATOM 543 CD GLU A 35 -11.819 -8.308 -8.068 1.00 0.00 C ATOM 544 OE1 GLU A 35 -11.059 -9.200 -7.623 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.811 -8.568 -8.781 1.00 0.00 O ATOM 0 H GLU A 35 -9.367 -8.736 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.958 -5.922 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.278 -7.379 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.366 -5.656 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.403 -6.438 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.437 -6.285 -8.658 1.00 0.00 H new ATOM 552 N ILE A 36 -7.064 -5.412 -6.907 1.00 0.00 N ATOM 553 CA ILE A 36 -5.957 -5.064 -6.028 1.00 0.00 C ATOM 554 C ILE A 36 -6.169 -3.677 -5.433 1.00 0.00 C ATOM 555 O ILE A 36 -6.391 -2.705 -6.158 1.00 0.00 O ATOM 556 CB ILE A 36 -4.592 -5.119 -6.760 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.629 -4.298 -8.055 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.206 -6.563 -7.045 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.306 -4.263 -8.789 1.00 0.00 C ATOM 0 H ILE A 36 -7.207 -4.764 -7.682 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.935 -5.805 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.835 -4.680 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.391 -4.712 -8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.931 -3.278 -7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.245 -6.588 -7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.129 -7.111 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.967 -7.026 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.408 -3.665 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.545 -3.821 -8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.011 -5.278 -9.056 1.00 0.00 H new ATOM 571 N ASN A 37 -6.135 -3.588 -4.110 1.00 0.00 N ATOM 572 CA ASN A 37 -6.339 -2.311 -3.445 1.00 0.00 C ATOM 573 C ASN A 37 -5.022 -1.778 -2.898 1.00 0.00 C ATOM 574 O ASN A 37 -4.201 -2.532 -2.370 1.00 0.00 O ATOM 575 CB ASN A 37 -7.393 -2.424 -2.327 1.00 0.00 C ATOM 576 CG ASN A 37 -6.814 -2.749 -0.958 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.567 -3.908 -0.635 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.640 -1.728 -0.128 1.00 0.00 N ATOM 0 H ASN A 37 -5.970 -4.376 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.717 -1.604 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.942 -1.484 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.113 -3.196 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.290 -1.892 0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.857 -0.779 -0.434 1.00 0.00 H new ATOM 585 N ILE A 38 -4.815 -0.483 -3.067 1.00 0.00 N ATOM 586 CA ILE A 38 -3.634 0.182 -2.541 1.00 0.00 C ATOM 587 C ILE A 38 -3.960 0.840 -1.204 1.00 0.00 C ATOM 588 O ILE A 38 -4.639 1.868 -1.158 1.00 0.00 O ATOM 589 CB ILE A 38 -3.097 1.240 -3.528 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.762 0.589 -4.871 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.874 1.940 -2.950 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.317 1.574 -5.932 1.00 0.00 C ATOM 0 H ILE A 38 -5.455 0.133 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.859 -0.571 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.872 1.989 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.974 -0.149 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.638 0.051 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.510 2.682 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.144 2.433 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.091 1.206 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.097 1.039 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.112 2.298 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.422 2.095 -5.592 1.00 0.00 H new ATOM 604 N ASP A 39 -3.484 0.237 -0.123 1.00 0.00 N ATOM 605 CA ASP A 39 -3.838 0.673 1.224 1.00 0.00 C ATOM 606 C ASP A 39 -3.105 1.956 1.608 1.00 0.00 C ATOM 607 O ASP A 39 -3.725 2.943 1.995 1.00 0.00 O ATOM 608 CB ASP A 39 -3.524 -0.436 2.232 1.00 0.00 C ATOM 609 CG ASP A 39 -4.006 -0.109 3.632 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.213 -0.303 3.905 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.183 0.321 4.467 1.00 0.00 O ATOM 0 H ASP A 39 -2.848 -0.560 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.907 0.884 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.988 -1.365 1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.448 -0.607 2.254 1.00 0.00 H new ATOM 616 N HIS A 40 -1.787 1.938 1.488 1.00 0.00 N ATOM 617 CA HIS A 40 -0.966 3.084 1.866 1.00 0.00 C ATOM 618 C HIS A 40 0.158 3.310 0.858 1.00 0.00 C ATOM 619 O HIS A 40 0.744 2.356 0.341 1.00 0.00 O ATOM 620 CB HIS A 40 -0.380 2.870 3.270 1.00 0.00 C ATOM 621 CG HIS A 40 0.636 3.898 3.686 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.303 5.108 4.256 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.987 3.886 3.604 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.403 5.793 4.503 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.438 5.075 4.115 1.00 0.00 N ATOM 0 H HIS A 40 -1.259 1.142 1.131 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.600 3.971 1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.195 2.870 3.994 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.082 1.884 3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.597 3.087 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.448 6.776 4.948 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.415 5.358 4.184 1.00 0.00 H new ATOM 634 N THR A 41 0.442 4.575 0.580 1.00 0.00 N ATOM 635 CA THR A 41 1.567 4.948 -0.263 1.00 0.00 C ATOM 636 C THR A 41 2.190 6.246 0.241 1.00 0.00 C ATOM 637 O THR A 41 1.601 7.319 0.106 1.00 0.00 O ATOM 638 CB THR A 41 1.136 5.126 -1.731 1.00 0.00 C ATOM 639 OG1 THR A 41 0.446 3.953 -2.175 1.00 0.00 O ATOM 640 CG2 THR A 41 2.341 5.381 -2.627 1.00 0.00 C ATOM 0 H THR A 41 -0.098 5.366 0.930 1.00 0.00 H new ATOM 0 HA THR A 41 2.299 4.142 -0.214 1.00 0.00 H new ATOM 0 HB THR A 41 0.474 5.989 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.480 3.978 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.009 5.503 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.852 6.287 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.026 4.536 -2.564 1.00 0.00 H new ATOM 648 N GLY A 42 3.362 6.143 0.848 1.00 0.00 N ATOM 649 CA GLY A 42 4.032 7.313 1.371 1.00 0.00 C ATOM 650 C GLY A 42 5.300 7.624 0.611 1.00 0.00 C ATOM 651 O GLY A 42 6.295 6.914 0.735 1.00 0.00 O ATOM 0 H GLY A 42 3.863 5.265 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.359 8.169 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.269 7.155 2.423 1.00 0.00 H new ATOM 655 N VAL A 43 5.256 8.671 -0.198 1.00 0.00 N ATOM 656 CA VAL A 43 6.424 9.103 -0.950 1.00 0.00 C ATOM 657 C VAL A 43 6.961 10.403 -0.366 1.00 0.00 C ATOM 658 O VAL A 43 6.233 11.390 -0.267 1.00 0.00 O ATOM 659 CB VAL A 43 6.095 9.302 -2.446 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.338 9.708 -3.224 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.486 8.038 -3.034 1.00 0.00 C ATOM 0 H VAL A 43 4.422 9.238 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 43 7.180 8.322 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 43 5.364 10.106 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.082 9.842 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.729 10.643 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.095 8.929 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.261 8.199 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.192 7.214 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.567 7.795 -2.500 1.00 0.00 H new ATOM 671 N SER A 44 8.224 10.389 0.032 1.00 0.00 N ATOM 672 CA SER A 44 8.855 11.564 0.618 1.00 0.00 C ATOM 673 C SER A 44 9.065 12.662 -0.426 1.00 0.00 C ATOM 674 O SER A 44 9.221 12.384 -1.617 1.00 0.00 O ATOM 675 CB SER A 44 10.191 11.177 1.253 1.00 0.00 C ATOM 676 OG SER A 44 10.009 10.185 2.256 1.00 0.00 O ATOM 0 H SER A 44 8.834 9.575 -0.040 1.00 0.00 H new ATOM 0 HA SER A 44 8.191 11.957 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.868 10.803 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.660 12.059 1.689 1.00 0.00 H new ATOM 0 HG SER A 44 9.937 9.303 1.835 1.00 0.00 H new ATOM 682 N ASP A 45 9.062 13.909 0.030 1.00 0.00 N ATOM 683 CA ASP A 45 9.267 15.057 -0.849 1.00 0.00 C ATOM 684 C ASP A 45 10.620 15.694 -0.577 1.00 0.00 C ATOM 685 O ASP A 45 10.864 16.839 -0.956 1.00 0.00 O ATOM 686 CB ASP A 45 8.175 16.112 -0.643 1.00 0.00 C ATOM 687 CG ASP A 45 6.783 15.610 -0.964 1.00 0.00 C ATOM 688 OD1 ASP A 45 6.457 15.469 -2.159 1.00 0.00 O ATOM 689 OD2 ASP A 45 6.000 15.374 -0.020 1.00 0.00 O ATOM 0 H ASP A 45 8.919 14.153 1.010 1.00 0.00 H new ATOM 0 HA ASP A 45 9.225 14.696 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.200 16.452 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.394 16.977 -1.269 1.00 0.00 H new ATOM 694 N GLU A 46 11.507 14.932 0.051 1.00 0.00 N ATOM 695 CA GLU A 46 12.798 15.450 0.502 1.00 0.00 C ATOM 696 C GLU A 46 13.640 16.009 -0.648 1.00 0.00 C ATOM 697 O GLU A 46 14.480 16.881 -0.435 1.00 0.00 O ATOM 698 CB GLU A 46 13.576 14.364 1.246 1.00 0.00 C ATOM 699 CG GLU A 46 13.736 13.065 0.468 1.00 0.00 C ATOM 700 CD GLU A 46 14.553 12.039 1.222 1.00 0.00 C ATOM 701 OE1 GLU A 46 14.004 11.398 2.142 1.00 0.00 O ATOM 702 OE2 GLU A 46 15.752 11.879 0.909 1.00 0.00 O ATOM 0 H GLU A 46 11.356 13.945 0.262 1.00 0.00 H new ATOM 0 HA GLU A 46 12.590 16.278 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.565 14.748 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.069 14.150 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.751 12.652 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.214 13.274 -0.489 1.00 0.00 H new ATOM 709 N LEU A 47 13.416 15.514 -1.860 1.00 0.00 N ATOM 710 CA LEU A 47 14.161 15.994 -3.021 1.00 0.00 C ATOM 711 C LEU A 47 13.283 16.856 -3.924 1.00 0.00 C ATOM 712 O LEU A 47 13.682 17.216 -5.033 1.00 0.00 O ATOM 713 CB LEU A 47 14.738 14.821 -3.817 1.00 0.00 C ATOM 714 CG LEU A 47 15.784 13.982 -3.077 1.00 0.00 C ATOM 715 CD1 LEU A 47 16.309 12.876 -3.976 1.00 0.00 C ATOM 716 CD2 LEU A 47 16.929 14.861 -2.593 1.00 0.00 C ATOM 0 H LEU A 47 12.731 14.787 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 47 14.983 16.609 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.918 14.168 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.187 15.209 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 47 15.308 13.527 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.051 12.289 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.485 12.230 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.768 13.314 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.662 14.248 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.403 15.344 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.542 15.622 -1.915 1.00 0.00 H new ATOM 728 N GLY A 48 12.097 17.201 -3.432 1.00 0.00 N ATOM 729 CA GLY A 48 11.168 18.010 -4.204 1.00 0.00 C ATOM 730 C GLY A 48 10.735 17.332 -5.489 1.00 0.00 C ATOM 731 O GLY A 48 10.933 17.869 -6.579 1.00 0.00 O ATOM 0 H GLY A 48 11.760 16.933 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.289 18.226 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.634 18.966 -4.441 1.00 0.00 H new ATOM 735 N GLY A 49 10.148 16.152 -5.361 1.00 0.00 N ATOM 736 CA GLY A 49 9.747 15.398 -6.532 1.00 0.00 C ATOM 737 C GLY A 49 10.804 14.396 -6.946 1.00 0.00 C ATOM 738 O GLY A 49 11.915 14.774 -7.322 1.00 0.00 O ATOM 0 H GLY A 49 9.942 15.703 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.813 14.876 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.554 16.084 -7.357 1.00 0.00 H new ATOM 742 N GLN A 50 10.462 13.120 -6.866 1.00 0.00 N ATOM 743 CA GLN A 50 11.402 12.054 -7.179 1.00 0.00 C ATOM 744 C GLN A 50 10.796 11.091 -8.188 1.00 0.00 C ATOM 745 O GLN A 50 9.576 10.951 -8.271 1.00 0.00 O ATOM 746 CB GLN A 50 11.786 11.293 -5.905 1.00 0.00 C ATOM 747 CG GLN A 50 12.523 12.136 -4.877 1.00 0.00 C ATOM 748 CD GLN A 50 12.742 11.395 -3.574 1.00 0.00 C ATOM 749 OE1 GLN A 50 13.850 10.677 -3.475 1.00 0.00 O flip ATOM 750 NE2 GLN A 50 11.919 11.459 -2.667 1.00 0.00 N flip ATOM 0 H GLN A 50 9.536 12.796 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 50 12.297 12.502 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.882 10.891 -5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.411 10.442 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.487 12.441 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.956 13.046 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.077 12.023 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.077 10.948 -1.798 1.00 0.00 H new ATOM 759 N GLY A 51 11.653 10.418 -8.943 1.00 0.00 N ATOM 760 CA GLY A 51 11.193 9.414 -9.884 1.00 0.00 C ATOM 761 C GLY A 51 10.860 8.112 -9.184 1.00 0.00 C ATOM 762 O GLY A 51 10.432 7.141 -9.807 1.00 0.00 O ATOM 0 H GLY A 51 12.664 10.550 -8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.312 9.782 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.962 9.238 -10.636 1.00 0.00 H new ATOM 766 N VAL A 52 11.062 8.116 -7.871 1.00 0.00 N ATOM 767 CA VAL A 52 10.777 6.975 -7.011 1.00 0.00 C ATOM 768 C VAL A 52 9.311 6.562 -7.110 1.00 0.00 C ATOM 769 O VAL A 52 8.992 5.372 -7.172 1.00 0.00 O ATOM 770 CB VAL A 52 11.120 7.324 -5.541 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.707 6.213 -4.591 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.605 7.617 -5.401 1.00 0.00 C ATOM 0 H VAL A 52 11.433 8.922 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 52 11.393 6.139 -7.344 1.00 0.00 H new ATOM 0 HB VAL A 52 10.555 8.216 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.964 6.494 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.631 6.053 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.229 5.294 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.832 7.861 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.179 6.740 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.871 8.461 -6.038 1.00 0.00 H new ATOM 782 N GLY A 53 8.431 7.555 -7.157 1.00 0.00 N ATOM 783 CA GLY A 53 7.006 7.294 -7.144 1.00 0.00 C ATOM 784 C GLY A 53 6.522 6.542 -8.370 1.00 0.00 C ATOM 785 O GLY A 53 5.917 5.477 -8.247 1.00 0.00 O ATOM 0 H GLY A 53 8.682 8.542 -7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.757 6.719 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.471 8.241 -7.072 1.00 0.00 H new ATOM 789 N LYS A 54 6.794 7.083 -9.553 1.00 0.00 N ATOM 790 CA LYS A 54 6.263 6.512 -10.786 1.00 0.00 C ATOM 791 C LYS A 54 6.875 5.142 -11.077 1.00 0.00 C ATOM 792 O LYS A 54 6.253 4.320 -11.748 1.00 0.00 O ATOM 793 CB LYS A 54 6.478 7.460 -11.969 1.00 0.00 C ATOM 794 CG LYS A 54 5.487 7.227 -13.101 1.00 0.00 C ATOM 795 CD LYS A 54 5.599 8.285 -14.186 1.00 0.00 C ATOM 796 CE LYS A 54 4.381 8.264 -15.097 1.00 0.00 C ATOM 797 NZ LYS A 54 4.457 9.297 -16.164 1.00 0.00 N ATOM 0 H LYS A 54 7.375 7.911 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 54 5.190 6.377 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.392 8.490 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.492 7.335 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.659 6.243 -13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.473 7.225 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.699 9.270 -13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.500 8.113 -14.774 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.289 7.279 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.482 8.425 -14.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.531 9.384 -16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.721 10.211 -15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.172 9.019 -16.866 1.00 0.00 H new ATOM 811 N LYS A 55 8.079 4.892 -10.565 1.00 0.00 N ATOM 812 CA LYS A 55 8.696 3.576 -10.701 1.00 0.00 C ATOM 813 C LYS A 55 7.851 2.519 -9.995 1.00 0.00 C ATOM 814 O LYS A 55 7.535 1.478 -10.570 1.00 0.00 O ATOM 815 CB LYS A 55 10.120 3.561 -10.131 1.00 0.00 C ATOM 816 CG LYS A 55 11.171 4.164 -11.052 1.00 0.00 C ATOM 817 CD LYS A 55 12.578 3.914 -10.525 1.00 0.00 C ATOM 818 CE LYS A 55 13.638 4.414 -11.495 1.00 0.00 C ATOM 819 NZ LYS A 55 15.018 4.148 -11.003 1.00 0.00 N ATOM 0 H LYS A 55 8.641 5.576 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 55 8.751 3.347 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.126 4.105 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.398 2.531 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.073 3.735 -12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.001 5.236 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.700 4.412 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.718 2.847 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.499 3.932 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.509 5.485 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.692 4.249 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.256 4.828 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.071 3.181 -10.624 1.00 0.00 H new ATOM 833 N LEU A 56 7.470 2.810 -8.754 1.00 0.00 N ATOM 834 CA LEU A 56 6.655 1.891 -7.966 1.00 0.00 C ATOM 835 C LEU A 56 5.261 1.753 -8.565 1.00 0.00 C ATOM 836 O LEU A 56 4.734 0.646 -8.692 1.00 0.00 O ATOM 837 CB LEU A 56 6.564 2.370 -6.516 1.00 0.00 C ATOM 838 CG LEU A 56 7.893 2.403 -5.759 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.700 2.979 -4.365 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.496 1.008 -5.676 1.00 0.00 C ATOM 0 H LEU A 56 7.713 3.676 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 56 7.133 0.912 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.133 3.371 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.873 1.721 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 56 8.582 3.046 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.656 2.994 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.312 3.995 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.993 2.361 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.441 1.052 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.808 0.345 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.672 0.627 -6.682 1.00 0.00 H new ATOM 852 N LEU A 57 4.678 2.883 -8.948 1.00 0.00 N ATOM 853 CA LEU A 57 3.345 2.899 -9.540 1.00 0.00 C ATOM 854 C LEU A 57 3.296 2.085 -10.828 1.00 0.00 C ATOM 855 O LEU A 57 2.400 1.262 -11.011 1.00 0.00 O ATOM 856 CB LEU A 57 2.895 4.335 -9.818 1.00 0.00 C ATOM 857 CG LEU A 57 2.102 5.015 -8.695 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.902 5.065 -7.403 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.693 6.415 -9.117 1.00 0.00 C ATOM 0 H LEU A 57 5.109 3.803 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 57 2.664 2.443 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.778 4.938 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.284 4.336 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 57 1.206 4.423 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.311 5.553 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.148 4.051 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.822 5.627 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.131 6.888 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.584 7.005 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.070 6.359 -10.010 1.00 0.00 H new ATOM 871 N LYS A 58 4.268 2.302 -11.709 1.00 0.00 N ATOM 872 CA LYS A 58 4.284 1.624 -13.000 1.00 0.00 C ATOM 873 C LYS A 58 4.464 0.120 -12.821 1.00 0.00 C ATOM 874 O LYS A 58 3.913 -0.666 -13.588 1.00 0.00 O ATOM 875 CB LYS A 58 5.387 2.187 -13.901 1.00 0.00 C ATOM 876 CG LYS A 58 5.435 1.529 -15.274 1.00 0.00 C ATOM 877 CD LYS A 58 6.411 2.224 -16.208 1.00 0.00 C ATOM 878 CE LYS A 58 7.823 2.230 -15.649 1.00 0.00 C ATOM 879 NZ LYS A 58 8.797 2.764 -16.636 1.00 0.00 N ATOM 0 H LYS A 58 5.050 2.938 -11.554 1.00 0.00 H new ATOM 0 HA LYS A 58 3.323 1.802 -13.482 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.234 3.259 -14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.351 2.057 -13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.722 0.483 -15.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.439 1.542 -15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.406 1.723 -17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.083 3.250 -16.378 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.854 2.834 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.108 1.217 -15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.751 2.754 -16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.784 2.172 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.538 3.740 -16.886 1.00 0.00 H new ATOM 893 N ALA A 59 5.218 -0.273 -11.799 1.00 0.00 N ATOM 894 CA ALA A 59 5.424 -1.687 -11.500 1.00 0.00 C ATOM 895 C ALA A 59 4.091 -2.386 -11.254 1.00 0.00 C ATOM 896 O ALA A 59 3.846 -3.488 -11.750 1.00 0.00 O ATOM 897 CB ALA A 59 6.335 -1.846 -10.290 1.00 0.00 C ATOM 0 H ALA A 59 5.696 0.367 -11.164 1.00 0.00 H new ATOM 0 HA ALA A 59 5.902 -2.153 -12.362 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.479 -2.906 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.300 -1.383 -10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.879 -1.363 -9.426 1.00 0.00 H new ATOM 903 N VAL A 60 3.226 -1.723 -10.497 1.00 0.00 N ATOM 904 CA VAL A 60 1.902 -2.251 -10.201 1.00 0.00 C ATOM 905 C VAL A 60 1.027 -2.255 -11.457 1.00 0.00 C ATOM 906 O VAL A 60 0.357 -3.246 -11.756 1.00 0.00 O ATOM 907 CB VAL A 60 1.210 -1.431 -9.090 1.00 0.00 C ATOM 908 CG1 VAL A 60 -0.158 -2.009 -8.756 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.084 -1.374 -7.847 1.00 0.00 C ATOM 0 H VAL A 60 3.420 -0.815 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 60 2.029 -3.275 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 60 1.066 -0.416 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.623 -1.413 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.787 -1.992 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.044 -3.037 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.581 -0.792 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.263 -2.385 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.036 -0.904 -8.093 1.00 0.00 H new ATOM 919 N VAL A 61 1.059 -1.150 -12.196 1.00 0.00 N ATOM 920 CA VAL A 61 0.248 -1.002 -13.406 1.00 0.00 C ATOM 921 C VAL A 61 0.645 -2.026 -14.473 1.00 0.00 C ATOM 922 O VAL A 61 -0.213 -2.593 -15.154 1.00 0.00 O ATOM 923 CB VAL A 61 0.362 0.426 -13.992 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.489 0.572 -15.248 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.037 1.464 -12.954 1.00 0.00 C ATOM 0 H VAL A 61 1.639 -0.340 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.787 -1.180 -13.115 1.00 0.00 H new ATOM 0 HB VAL A 61 1.403 0.594 -14.268 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.390 1.585 -15.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.153 -0.142 -16.000 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.533 0.377 -15.004 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.050 2.461 -13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.068 1.291 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.621 1.384 -12.088 1.00 0.00 H new ATOM 935 N GLU A 62 1.944 -2.270 -14.607 1.00 0.00 N ATOM 936 CA GLU A 62 2.444 -3.224 -15.590 1.00 0.00 C ATOM 937 C GLU A 62 1.942 -4.627 -15.266 1.00 0.00 C ATOM 938 O GLU A 62 1.539 -5.383 -16.157 1.00 0.00 O ATOM 939 CB GLU A 62 3.974 -3.211 -15.617 1.00 0.00 C ATOM 940 CG GLU A 62 4.566 -4.014 -16.763 1.00 0.00 C ATOM 941 CD GLU A 62 6.074 -4.119 -16.687 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.762 -3.104 -16.930 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.581 -5.219 -16.386 1.00 0.00 O ATOM 0 H GLU A 62 2.669 -1.821 -14.048 1.00 0.00 H new ATOM 0 HA GLU A 62 2.073 -2.933 -16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.320 -2.180 -15.690 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.350 -3.607 -14.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.136 -5.016 -16.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.286 -3.550 -17.709 1.00 0.00 H new ATOM 950 N HIS A 63 1.939 -4.962 -13.982 1.00 0.00 N ATOM 951 CA HIS A 63 1.476 -6.269 -13.541 1.00 0.00 C ATOM 952 C HIS A 63 -0.039 -6.368 -13.689 1.00 0.00 C ATOM 953 O HIS A 63 -0.589 -7.458 -13.877 1.00 0.00 O ATOM 954 CB HIS A 63 1.885 -6.523 -12.091 1.00 0.00 C ATOM 955 CG HIS A 63 2.063 -7.975 -11.770 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.300 -8.566 -11.671 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.161 -8.956 -11.533 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.155 -9.846 -11.392 1.00 0.00 C ATOM 959 NE2 HIS A 63 1.866 -10.111 -11.302 1.00 0.00 N ATOM 0 H HIS A 63 2.251 -4.348 -13.230 1.00 0.00 H new ATOM 0 HA HIS A 63 1.941 -7.030 -14.167 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.817 -5.996 -11.886 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.129 -6.102 -11.429 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.086 -8.850 -11.527 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.956 -10.558 -11.259 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.460 -11.024 -11.095 1.00 0.00 H new ATOM 968 N ALA A 64 -0.705 -5.219 -13.607 1.00 0.00 N ATOM 969 CA ALA A 64 -2.146 -5.148 -13.813 1.00 0.00 C ATOM 970 C ALA A 64 -2.489 -5.453 -15.266 1.00 0.00 C ATOM 971 O ALA A 64 -3.497 -6.092 -15.553 1.00 0.00 O ATOM 972 CB ALA A 64 -2.681 -3.777 -13.418 1.00 0.00 C ATOM 0 H ALA A 64 -0.266 -4.322 -13.398 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.620 -5.896 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.758 -3.746 -13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.467 -3.592 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.201 -3.010 -14.026 1.00 0.00 H new ATOM 978 N ARG A 65 -1.634 -4.998 -16.176 1.00 0.00 N ATOM 979 CA ARG A 65 -1.794 -5.296 -17.598 1.00 0.00 C ATOM 980 C ARG A 65 -1.628 -6.788 -17.862 1.00 0.00 C ATOM 981 O ARG A 65 -2.262 -7.348 -18.757 1.00 0.00 O ATOM 982 CB ARG A 65 -0.773 -4.511 -18.426 1.00 0.00 C ATOM 983 CG ARG A 65 -1.298 -3.192 -18.954 1.00 0.00 C ATOM 984 CD ARG A 65 -2.429 -3.417 -19.944 1.00 0.00 C ATOM 985 NE ARG A 65 -2.959 -2.160 -20.457 1.00 0.00 N ATOM 986 CZ ARG A 65 -4.233 -1.798 -20.354 1.00 0.00 C ATOM 987 NH1 ARG A 65 -5.126 -2.643 -19.854 1.00 0.00 N ATOM 988 NH2 ARG A 65 -4.617 -0.607 -20.783 1.00 0.00 N ATOM 0 H ARG A 65 -0.822 -4.421 -15.956 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.800 -4.998 -17.892 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.109 -4.321 -17.814 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.451 -5.126 -19.267 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.651 -2.578 -18.125 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.491 -2.641 -19.437 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.070 -4.025 -20.774 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.229 -3.978 -19.461 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.314 -1.521 -20.922 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.834 -3.571 -19.548 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.104 -2.364 -19.775 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.935 0.032 -21.192 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.595 -0.328 -20.705 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.779 -7.415 -17.067 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.463 -8.826 -17.227 1.00 0.00 C ATOM 1004 C GLU A 66 -1.687 -9.718 -17.005 1.00 0.00 C ATOM 1005 O GLU A 66 -2.165 -10.368 -17.931 1.00 0.00 O ATOM 1006 CB GLU A 66 0.656 -9.206 -16.261 1.00 0.00 C ATOM 1007 CG GLU A 66 1.061 -10.665 -16.333 1.00 0.00 C ATOM 1008 CD GLU A 66 2.229 -10.980 -15.429 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.384 -10.811 -15.875 1.00 0.00 O ATOM 1010 OE2 GLU A 66 1.999 -11.386 -14.275 1.00 0.00 O ATOM 0 H GLU A 66 -0.290 -6.963 -16.294 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.135 -8.986 -18.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.528 -8.586 -16.469 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.338 -8.977 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.212 -11.290 -16.057 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.321 -10.917 -17.361 1.00 0.00 H new ATOM 1017 N ASN A 67 -2.198 -9.737 -15.782 1.00 0.00 N ATOM 1018 CA ASN A 67 -3.279 -10.658 -15.428 1.00 0.00 C ATOM 1019 C ASN A 67 -4.638 -9.970 -15.405 1.00 0.00 C ATOM 1020 O ASN A 67 -5.602 -10.517 -14.868 1.00 0.00 O ATOM 1021 CB ASN A 67 -3.002 -11.315 -14.072 1.00 0.00 C ATOM 1022 CG ASN A 67 -2.111 -12.539 -14.192 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.806 -12.348 -14.083 1.00 0.00 O flip ATOM 1024 ND2 ASN A 67 -2.597 -13.652 -14.376 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.888 -9.133 -15.021 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.311 -11.425 -16.202 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.530 -10.589 -13.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.947 -11.601 -13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.608 -13.760 -14.455 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.989 -14.468 -14.450 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.705 -8.785 -16.009 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.941 -8.004 -16.073 1.00 0.00 C ATOM 1033 C ASN A 68 -6.437 -7.697 -14.666 1.00 0.00 C ATOM 1034 O ASN A 68 -7.421 -8.267 -14.189 1.00 0.00 O ATOM 1035 CB ASN A 68 -7.025 -8.730 -16.889 1.00 0.00 C ATOM 1036 CG ASN A 68 -8.235 -7.855 -17.182 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -8.279 -7.153 -18.192 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -9.227 -7.892 -16.305 1.00 0.00 N ATOM 0 H ASN A 68 -3.909 -8.340 -16.466 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.724 -7.066 -16.583 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.595 -9.073 -17.830 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.348 -9.617 -16.345 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.062 -7.327 -16.456 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.155 -8.486 -15.479 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.715 -6.817 -13.992 1.00 0.00 N ATOM 1046 CA LEU A 69 -6.016 -6.474 -12.614 1.00 0.00 C ATOM 1047 C LEU A 69 -6.694 -5.113 -12.529 1.00 0.00 C ATOM 1048 O LEU A 69 -6.365 -4.192 -13.283 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.735 -6.470 -11.776 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.927 -7.770 -11.812 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.659 -7.631 -10.985 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.758 -8.936 -11.301 1.00 0.00 C ATOM 0 H LEU A 69 -4.911 -6.325 -14.381 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.699 -7.226 -12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.098 -5.655 -12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.998 -6.253 -10.741 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.652 -7.969 -12.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.097 -8.564 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.048 -6.823 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.922 -7.406 -9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.164 -9.849 -11.336 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.065 -8.741 -10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.642 -9.055 -11.927 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.642 -5.000 -11.613 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.366 -3.756 -11.397 1.00 0.00 C ATOM 1066 C LYS A 70 -7.762 -3.003 -10.220 1.00 0.00 C ATOM 1067 O LYS A 70 -7.787 -3.483 -9.083 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.848 -4.042 -11.140 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.522 -4.770 -12.288 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.912 -5.248 -11.910 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.525 -6.071 -13.030 1.00 0.00 C ATOM 1072 NZ LYS A 70 -13.777 -6.749 -12.607 1.00 0.00 N ATOM 0 H LYS A 70 -7.931 -5.763 -11.001 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.283 -3.139 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.945 -4.638 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.367 -3.101 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.587 -4.107 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.912 -5.623 -12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.860 -5.846 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.549 -4.391 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.734 -5.424 -13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.805 -6.817 -13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.160 -7.299 -13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.574 -7.387 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.474 -6.037 -12.311 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.215 -1.830 -10.499 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.512 -1.060 -9.487 1.00 0.00 C ATOM 1088 C ILE A 71 -7.452 -0.099 -8.769 1.00 0.00 C ATOM 1089 O ILE A 71 -8.025 0.809 -9.379 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.339 -0.261 -10.096 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.373 -1.205 -10.820 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.609 0.519 -9.011 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.185 -0.503 -11.445 1.00 0.00 C ATOM 0 H ILE A 71 -7.245 -1.391 -11.419 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.116 -1.777 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.739 0.448 -10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.011 -1.952 -10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.917 -1.740 -11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.785 1.077 -9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.301 1.213 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.218 -0.174 -8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.547 -1.236 -11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.536 0.224 -12.177 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.616 0.009 -10.669 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.616 -0.316 -7.474 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.390 0.582 -6.636 1.00 0.00 C ATOM 1107 C ILE A 72 -7.524 1.111 -5.497 1.00 0.00 C ATOM 1108 O ILE A 72 -6.945 0.344 -4.732 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.656 -0.099 -6.067 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.314 -1.452 -5.431 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.698 -0.268 -7.161 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.500 -2.153 -4.801 1.00 0.00 C ATOM 0 H ILE A 72 -7.219 -1.114 -6.978 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.718 1.412 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.069 0.541 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.883 -2.102 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.548 -1.301 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.585 -0.749 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.968 0.710 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.289 -0.886 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.177 -3.102 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.919 -1.525 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.259 -2.337 -5.561 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.412 2.424 -5.402 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.556 3.035 -4.401 1.00 0.00 C ATOM 1126 C ALA A 73 -7.355 3.480 -3.181 1.00 0.00 C ATOM 1127 O ALA A 73 -8.215 4.356 -3.276 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.805 4.212 -5.001 1.00 0.00 C ATOM 0 H ALA A 73 -7.902 3.086 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.837 2.285 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.166 4.662 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.191 3.866 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.518 4.953 -5.361 1.00 0.00 H new ATOM 1134 N SER A 74 -7.074 2.863 -2.043 1.00 0.00 N ATOM 1135 CA SER A 74 -7.688 3.258 -0.787 1.00 0.00 C ATOM 1136 C SER A 74 -6.984 4.497 -0.246 1.00 0.00 C ATOM 1137 O SER A 74 -7.608 5.382 0.339 1.00 0.00 O ATOM 1138 CB SER A 74 -7.595 2.115 0.226 1.00 0.00 C ATOM 1139 OG SER A 74 -8.084 0.900 -0.322 1.00 0.00 O ATOM 0 H SER A 74 -6.421 2.083 -1.965 1.00 0.00 H new ATOM 0 HA SER A 74 -8.740 3.487 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.558 1.985 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.166 2.370 1.119 1.00 0.00 H new ATOM 0 HG SER A 74 -8.312 0.282 0.404 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.672 4.546 -0.456 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.862 5.684 -0.051 1.00 0.00 C ATOM 1147 C CYS A 75 -5.196 6.904 -0.903 1.00 0.00 C ATOM 1148 O CYS A 75 -5.083 6.860 -2.128 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.377 5.340 -0.192 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.248 6.651 0.339 1.00 0.00 S ATOM 0 H CYS A 75 -5.145 3.800 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.080 5.916 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.169 4.441 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.170 5.100 -1.235 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.222 6.690 -0.459 1.00 0.00 H new ATOM 1156 N SER A 76 -5.598 7.988 -0.248 1.00 0.00 N ATOM 1157 CA SER A 76 -5.958 9.224 -0.936 1.00 0.00 C ATOM 1158 C SER A 76 -4.793 9.761 -1.766 1.00 0.00 C ATOM 1159 O SER A 76 -4.992 10.298 -2.858 1.00 0.00 O ATOM 1160 CB SER A 76 -6.409 10.269 0.085 1.00 0.00 C ATOM 1161 OG SER A 76 -5.526 10.310 1.195 1.00 0.00 O ATOM 0 H SER A 76 -5.683 8.036 0.767 1.00 0.00 H new ATOM 0 HA SER A 76 -6.778 9.008 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.450 11.250 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.418 10.037 0.427 1.00 0.00 H new ATOM 0 HG SER A 76 -5.834 10.987 1.833 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.582 9.603 -1.244 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.383 10.044 -1.944 1.00 0.00 C ATOM 1169 C PHE A 77 -2.243 9.301 -3.269 1.00 0.00 C ATOM 1170 O PHE A 77 -2.185 9.915 -4.334 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.144 9.810 -1.072 1.00 0.00 C ATOM 1172 CG PHE A 77 0.137 10.309 -1.683 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.434 11.661 -1.683 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.043 9.426 -2.251 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.610 12.125 -2.242 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.219 9.884 -2.809 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.504 11.236 -2.805 1.00 0.00 C ATOM 0 H PHE A 77 -3.405 9.172 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.470 11.111 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.291 10.301 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.048 8.743 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.260 12.361 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.826 8.368 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.829 13.182 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.916 9.186 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.424 11.597 -3.241 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.224 7.972 -3.193 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.094 7.128 -4.379 1.00 0.00 C ATOM 1189 C ALA A 78 -3.288 7.307 -5.311 1.00 0.00 C ATOM 1190 O ALA A 78 -3.163 7.191 -6.531 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.952 5.669 -3.974 1.00 0.00 C ATOM 0 H ALA A 78 -2.297 7.454 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.197 7.433 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.856 5.051 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.065 5.549 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.833 5.360 -3.412 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.440 7.599 -4.719 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.667 7.826 -5.470 1.00 0.00 C ATOM 1199 C LYS A 79 -5.505 9.003 -6.430 1.00 0.00 C ATOM 1200 O LYS A 79 -5.965 8.949 -7.568 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.833 8.064 -4.496 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.170 8.352 -5.163 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.440 9.846 -5.277 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.762 10.119 -5.972 1.00 0.00 C ATOM 1205 NZ LYS A 79 -9.714 9.778 -7.414 1.00 0.00 N ATOM 0 H LYS A 79 -4.549 7.685 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.886 6.942 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.942 7.186 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.580 8.901 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.183 7.904 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.970 7.882 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.451 10.292 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.631 10.322 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.551 9.542 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.021 11.172 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.674 9.817 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.105 10.458 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.330 8.819 -7.531 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.840 10.058 -5.974 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.619 11.232 -6.814 1.00 0.00 C ATOM 1221 C HIS A 80 -3.381 11.056 -7.691 1.00 0.00 C ATOM 1222 O HIS A 80 -3.264 11.689 -8.740 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.495 12.506 -5.975 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.774 12.932 -5.315 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -6.879 13.371 -6.017 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -6.117 12.990 -4.008 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -7.842 13.681 -5.171 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -7.405 13.460 -3.948 1.00 0.00 N ATOM 0 H HIS A 80 -4.447 10.126 -5.035 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.491 11.334 -7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.737 12.350 -5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.141 13.316 -6.613 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.941 13.444 -7.032 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.494 12.718 -3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.821 14.052 -5.435 1.00 0.00 H new ATOM 1237 N MET A 81 -2.465 10.191 -7.261 1.00 0.00 N ATOM 1238 CA MET A 81 -1.256 9.896 -8.032 1.00 0.00 C ATOM 1239 C MET A 81 -1.609 9.320 -9.398 1.00 0.00 C ATOM 1240 O MET A 81 -1.211 9.859 -10.430 1.00 0.00 O ATOM 1241 CB MET A 81 -0.363 8.910 -7.273 1.00 0.00 C ATOM 1242 CG MET A 81 0.332 9.519 -6.067 1.00 0.00 C ATOM 1243 SD MET A 81 1.653 10.663 -6.521 1.00 0.00 S ATOM 1244 CE MET A 81 2.812 9.539 -7.296 1.00 0.00 C ATOM 0 H MET A 81 -2.536 9.680 -6.381 1.00 0.00 H new ATOM 0 HA MET A 81 -0.715 10.831 -8.176 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.968 8.065 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.391 8.517 -7.955 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.403 10.044 -5.457 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.745 8.721 -5.451 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.810 9.977 -7.279 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.821 8.594 -6.753 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.511 9.361 -8.328 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.383 8.240 -9.398 1.00 0.00 N ATOM 1255 CA LEU A 82 -2.800 7.587 -10.636 1.00 0.00 C ATOM 1256 C LEU A 82 -3.807 8.456 -11.380 1.00 0.00 C ATOM 1257 O LEU A 82 -4.008 8.317 -12.585 1.00 0.00 O ATOM 1258 CB LEU A 82 -3.425 6.227 -10.321 1.00 0.00 C ATOM 1259 CG LEU A 82 -2.519 5.245 -9.575 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.296 4.001 -9.178 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -1.321 4.871 -10.432 1.00 0.00 C ATOM 0 H LEU A 82 -2.736 7.796 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.924 7.444 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.324 6.388 -9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.740 5.765 -11.257 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.157 5.730 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.636 3.314 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.125 4.282 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.685 3.514 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.687 4.172 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.665 4.404 -11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.750 5.768 -10.671 1.00 0.00 H new ATOM 1273 N GLU A 83 -4.418 9.362 -10.639 1.00 0.00 N ATOM 1274 CA GLU A 83 -5.463 10.232 -11.153 1.00 0.00 C ATOM 1275 C GLU A 83 -4.880 11.366 -11.994 1.00 0.00 C ATOM 1276 O GLU A 83 -5.541 11.897 -12.888 1.00 0.00 O ATOM 1277 CB GLU A 83 -6.237 10.795 -9.969 1.00 0.00 C ATOM 1278 CG GLU A 83 -7.316 11.794 -10.317 1.00 0.00 C ATOM 1279 CD GLU A 83 -7.851 12.458 -9.075 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -7.216 13.424 -8.601 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -8.878 11.994 -8.546 1.00 0.00 O ATOM 0 H GLU A 83 -4.202 9.517 -9.654 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.125 9.658 -11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.693 9.966 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.531 11.270 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.915 12.548 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.127 11.291 -10.844 1.00 0.00 H new ATOM 1288 N LYS A 84 -3.642 11.740 -11.710 1.00 0.00 N ATOM 1289 CA LYS A 84 -2.995 12.832 -12.427 1.00 0.00 C ATOM 1290 C LYS A 84 -2.181 12.311 -13.610 1.00 0.00 C ATOM 1291 O LYS A 84 -1.532 13.081 -14.319 1.00 0.00 O ATOM 1292 CB LYS A 84 -2.119 13.648 -11.472 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.930 14.464 -10.475 1.00 0.00 C ATOM 1294 CD LYS A 84 -3.703 15.572 -11.172 1.00 0.00 C ATOM 1295 CE LYS A 84 -4.726 16.216 -10.249 1.00 0.00 C ATOM 1296 NZ LYS A 84 -5.890 15.322 -9.994 1.00 0.00 N ATOM 0 H LYS A 84 -3.065 11.306 -10.990 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.770 13.486 -12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.457 12.974 -10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.485 14.319 -12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.623 13.811 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.264 14.896 -9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.007 16.331 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.209 15.166 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.250 16.470 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.076 17.149 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.760 15.890 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.972 14.630 -10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.752 14.820 -9.093 1.00 0.00 H new ATOM 1310 N GLU A 85 -2.229 11.003 -13.817 1.00 0.00 N ATOM 1311 CA GLU A 85 -1.594 10.388 -14.970 1.00 0.00 C ATOM 1312 C GLU A 85 -2.648 9.715 -15.840 1.00 0.00 C ATOM 1313 O GLU A 85 -3.191 8.665 -15.489 1.00 0.00 O ATOM 1314 CB GLU A 85 -0.520 9.384 -14.535 1.00 0.00 C ATOM 1315 CG GLU A 85 0.097 8.604 -15.688 1.00 0.00 C ATOM 1316 CD GLU A 85 0.666 9.495 -16.772 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -0.115 9.978 -17.619 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.896 9.703 -16.791 1.00 0.00 O ATOM 0 H GLU A 85 -2.704 10.346 -13.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.100 11.165 -15.554 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.270 9.918 -14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.959 8.681 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.888 7.962 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.660 7.951 -16.123 1.00 0.00 H new ATOM 1325 N ASP A 86 -2.935 10.328 -16.980 1.00 0.00 N ATOM 1326 CA ASP A 86 -3.967 9.832 -17.882 1.00 0.00 C ATOM 1327 C ASP A 86 -3.555 8.498 -18.492 1.00 0.00 C ATOM 1328 O ASP A 86 -4.401 7.691 -18.878 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.250 10.852 -18.986 1.00 0.00 C ATOM 1330 CG ASP A 86 -5.400 10.437 -19.883 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -6.567 10.590 -19.464 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -5.150 9.962 -21.010 1.00 0.00 O ATOM 0 H ASP A 86 -2.466 11.174 -17.304 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.878 9.681 -17.304 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.477 11.818 -18.534 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.353 10.986 -19.590 1.00 0.00 H new ATOM 1337 N SER A 87 -2.251 8.255 -18.541 1.00 0.00 N ATOM 1338 CA SER A 87 -1.727 7.012 -19.094 1.00 0.00 C ATOM 1339 C SER A 87 -2.027 5.826 -18.174 1.00 0.00 C ATOM 1340 O SER A 87 -1.901 4.669 -18.574 1.00 0.00 O ATOM 1341 CB SER A 87 -0.223 7.137 -19.333 1.00 0.00 C ATOM 1342 OG SER A 87 0.067 8.270 -20.140 1.00 0.00 O ATOM 0 H SER A 87 -1.537 8.902 -18.205 1.00 0.00 H new ATOM 0 HA SER A 87 -2.223 6.827 -20.047 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.296 7.223 -18.378 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.149 6.235 -19.818 1.00 0.00 H new ATOM 0 HG SER A 87 0.084 9.074 -19.581 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.434 6.118 -16.941 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.823 5.073 -15.998 1.00 0.00 C ATOM 1350 C TYR A 88 -4.344 4.994 -15.874 1.00 0.00 C ATOM 1351 O TYR A 88 -4.881 4.053 -15.282 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.205 5.313 -14.615 1.00 0.00 C ATOM 1353 CG TYR A 88 -0.695 5.174 -14.573 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.022 4.356 -15.473 1.00 0.00 C ATOM 1355 CD2 TYR A 88 0.054 5.863 -13.627 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.355 4.230 -15.430 1.00 0.00 C ATOM 1357 CE2 TYR A 88 1.430 5.743 -13.580 1.00 0.00 C ATOM 1358 CZ TYR A 88 2.075 4.926 -14.482 1.00 0.00 C ATOM 1359 OH TYR A 88 3.446 4.806 -14.432 1.00 0.00 O ATOM 0 H TYR A 88 -2.503 7.067 -16.573 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.447 4.127 -16.387 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.475 6.314 -14.278 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.643 4.609 -13.907 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.583 3.810 -16.217 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.448 6.503 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.864 3.590 -16.135 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.997 6.287 -12.839 1.00 0.00 H new ATOM 0 HH TYR A 88 3.831 5.099 -15.284 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.036 5.977 -16.442 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.492 6.033 -16.354 1.00 0.00 C ATOM 1371 C GLN A 89 -7.127 5.098 -17.375 1.00 0.00 C ATOM 1372 O GLN A 89 -7.561 5.521 -18.449 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.004 7.464 -16.551 1.00 0.00 C ATOM 1374 CG GLN A 89 -6.435 8.453 -15.550 1.00 0.00 C ATOM 1375 CD GLN A 89 -7.031 9.840 -15.692 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.198 10.000 -16.050 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -6.229 10.854 -15.422 1.00 0.00 N ATOM 0 H GLN A 89 -4.614 6.743 -16.967 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.779 5.706 -15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.755 7.795 -17.559 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.091 7.466 -16.474 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.617 8.086 -14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.354 8.512 -15.678 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.268 10.680 -15.128 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.571 11.811 -15.507 1.00 0.00 H new ATOM 1386 N ASP A 90 -7.132 3.819 -17.032 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.719 2.778 -17.865 1.00 0.00 C ATOM 1388 C ASP A 90 -7.903 1.521 -17.029 1.00 0.00 C ATOM 1389 O ASP A 90 -8.949 0.873 -17.073 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.828 2.485 -19.078 1.00 0.00 C ATOM 1391 CG ASP A 90 -7.412 1.435 -20.003 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -8.330 1.762 -20.782 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -6.945 0.282 -19.967 1.00 0.00 O ATOM 0 H ASP A 90 -6.727 3.471 -16.163 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.686 3.118 -18.235 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.671 3.407 -19.638 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.850 2.152 -18.731 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.874 1.198 -16.247 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.932 0.071 -15.323 1.00 0.00 C ATOM 1400 C VAL A 91 -7.332 0.539 -13.924 1.00 0.00 C ATOM 1401 O VAL A 91 -7.716 -0.262 -13.071 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.582 -0.678 -15.253 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -5.277 -1.354 -16.582 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.455 0.271 -14.868 1.00 0.00 C ATOM 0 H VAL A 91 -5.988 1.704 -16.237 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.687 -0.618 -15.702 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.659 -1.446 -14.483 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.323 -1.876 -16.514 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.066 -2.069 -16.816 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.223 -0.602 -17.369 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.515 -0.279 -14.825 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.378 1.064 -15.611 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.665 0.708 -13.892 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.233 1.844 -13.694 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.643 2.440 -12.431 1.00 0.00 C ATOM 1416 C TYR A 92 -9.110 2.859 -12.497 1.00 0.00 C ATOM 1417 O TYR A 92 -9.532 3.525 -13.444 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.752 3.647 -12.098 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.297 4.530 -10.990 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.257 4.128 -9.659 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -7.870 5.762 -11.284 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -7.772 4.931 -8.654 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.389 6.565 -10.288 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.339 6.147 -8.977 1.00 0.00 C ATOM 1425 OH TYR A 92 -8.867 6.945 -7.987 1.00 0.00 O ATOM 0 H TYR A 92 -6.869 2.512 -14.373 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.530 1.699 -11.640 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.764 3.288 -11.809 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.622 4.249 -12.997 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.818 3.175 -9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.910 6.097 -12.310 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.730 4.607 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.833 7.518 -10.536 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.084 6.396 -7.205 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.882 2.466 -11.494 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.294 2.805 -11.442 1.00 0.00 C ATOM 1437 C LEU A 93 -11.493 4.150 -10.755 1.00 0.00 C ATOM 1438 O LEU A 93 -11.631 4.234 -9.534 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.090 1.710 -10.725 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.046 0.332 -11.393 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.854 -0.678 -10.590 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.564 0.412 -12.825 1.00 0.00 C ATOM 0 H LEU A 93 -9.552 1.911 -10.704 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.666 2.880 -12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.712 1.615 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.130 2.028 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.008 -0.001 -11.421 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.811 -1.651 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.439 -0.759 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.891 -0.348 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.525 -0.577 -13.282 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.594 0.769 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.944 1.102 -13.398 1.00 0.00 H new ATOM 1454 N GLY A 94 -11.465 5.208 -11.552 1.00 0.00 N ATOM 1455 CA GLY A 94 -11.633 6.545 -11.021 1.00 0.00 C ATOM 1456 C GLY A 94 -13.077 6.992 -11.009 1.00 0.00 C ATOM 1457 O GLY A 94 -13.483 7.804 -11.841 1.00 0.00 O ATOM 0 H GLY A 94 -11.328 5.164 -12.562 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.238 6.580 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.046 7.244 -11.616 1.00 0.00 H new ATOM 1461 N LEU A 95 -13.850 6.459 -10.072 1.00 0.00 N ATOM 1462 CA LEU A 95 -15.245 6.839 -9.920 1.00 0.00 C ATOM 1463 C LEU A 95 -15.817 6.240 -8.638 1.00 0.00 C ATOM 1464 O LEU A 95 -15.232 5.319 -8.061 1.00 0.00 O ATOM 1465 CB LEU A 95 -16.060 6.361 -11.130 1.00 0.00 C ATOM 1466 CG LEU A 95 -17.497 6.878 -11.197 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -17.512 8.388 -11.372 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -18.254 6.206 -12.329 1.00 0.00 C ATOM 0 H LEU A 95 -13.531 5.758 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 95 -15.306 7.926 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.540 6.663 -12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -16.084 5.271 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 95 -17.993 6.634 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -18.543 8.739 -11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.006 8.857 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.998 8.652 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -19.275 6.587 -12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -17.758 6.419 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -18.274 5.129 -12.164 1.00 0.00 H new ATOM 1480 N GLU A 96 -16.936 6.785 -8.181 1.00 0.00 N ATOM 1481 CA GLU A 96 -17.669 6.215 -7.059 1.00 0.00 C ATOM 1482 C GLU A 96 -18.455 5.000 -7.534 1.00 0.00 C ATOM 1483 O GLU A 96 -18.516 4.728 -8.737 1.00 0.00 O ATOM 1484 CB GLU A 96 -18.641 7.242 -6.460 1.00 0.00 C ATOM 1485 CG GLU A 96 -17.979 8.479 -5.865 1.00 0.00 C ATOM 1486 CD GLU A 96 -17.333 9.374 -6.904 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -17.893 9.511 -8.013 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -16.257 9.937 -6.620 1.00 0.00 O ATOM 0 H GLU A 96 -17.358 7.627 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.953 5.924 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -19.337 7.558 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -19.230 6.754 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.725 9.053 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.223 8.167 -5.145 1.00 0.00 H new ATOM 1495 N HIS A 97 -19.068 4.269 -6.613 1.00 0.00 N ATOM 1496 CA HIS A 97 -19.923 3.164 -7.019 1.00 0.00 C ATOM 1497 C HIS A 97 -21.280 3.709 -7.468 1.00 0.00 C ATOM 1498 O HIS A 97 -22.261 3.727 -6.726 1.00 0.00 O ATOM 1499 CB HIS A 97 -20.035 2.070 -5.932 1.00 0.00 C ATOM 1500 CG HIS A 97 -20.774 2.442 -4.677 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -20.231 3.212 -3.673 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -22.013 2.101 -4.252 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -21.101 3.329 -2.690 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -22.191 2.664 -3.016 1.00 0.00 N ATOM 0 H HIS A 97 -18.993 4.415 -5.606 1.00 0.00 H new ATOM 0 HA HIS A 97 -19.464 2.660 -7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -20.526 1.202 -6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -19.027 1.760 -5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -22.729 1.496 -4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -20.947 3.877 -1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -23.030 2.582 -2.442 1.00 0.00 H new ATOM 1513 N HIS A 98 -21.300 4.194 -8.700 1.00 0.00 N ATOM 1514 CA HIS A 98 -22.466 4.867 -9.253 1.00 0.00 C ATOM 1515 C HIS A 98 -23.282 3.902 -10.107 1.00 0.00 C ATOM 1516 O HIS A 98 -24.316 4.266 -10.669 1.00 0.00 O ATOM 1517 CB HIS A 98 -22.014 6.063 -10.098 1.00 0.00 C ATOM 1518 CG HIS A 98 -22.984 7.206 -10.122 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -22.626 8.491 -9.781 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -24.291 7.264 -10.469 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -23.667 9.287 -9.915 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -24.690 8.567 -10.332 1.00 0.00 N ATOM 0 H HIS A 98 -20.511 4.133 -9.343 1.00 0.00 H new ATOM 0 HA HIS A 98 -23.094 5.219 -8.435 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -21.058 6.422 -9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -21.843 5.726 -11.120 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -24.905 6.437 -10.793 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -23.680 10.349 -9.717 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -25.627 8.923 -10.522 1.00 0.00 H new ATOM 1531 N HIS A 99 -22.802 2.672 -10.213 1.00 0.00 N ATOM 1532 CA HIS A 99 -23.496 1.648 -10.982 1.00 0.00 C ATOM 1533 C HIS A 99 -24.464 0.892 -10.085 1.00 0.00 C ATOM 1534 O HIS A 99 -24.065 0.309 -9.074 1.00 0.00 O ATOM 1535 CB HIS A 99 -22.502 0.676 -11.627 1.00 0.00 C ATOM 1536 CG HIS A 99 -21.683 1.284 -12.726 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -21.800 0.907 -14.044 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -20.712 2.228 -12.693 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -20.938 1.589 -14.773 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -20.264 2.400 -13.978 1.00 0.00 N ATOM 0 H HIS A 99 -21.935 2.358 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 99 -24.055 2.138 -11.779 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.832 0.293 -10.857 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -23.050 -0.178 -12.026 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -20.356 2.749 -11.817 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -20.806 1.499 -15.841 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -19.532 3.047 -14.271 1.00 0.00 H new ATOM 1549 N HIS A 100 -25.738 0.926 -10.441 1.00 0.00 N ATOM 1550 CA HIS A 100 -26.763 0.225 -9.682 1.00 0.00 C ATOM 1551 C HIS A 100 -26.843 -1.223 -10.140 1.00 0.00 C ATOM 1552 O HIS A 100 -26.489 -2.147 -9.408 1.00 0.00 O ATOM 1553 CB HIS A 100 -28.129 0.904 -9.856 1.00 0.00 C ATOM 1554 CG HIS A 100 -28.247 2.234 -9.170 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -29.117 2.463 -8.126 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -27.607 3.411 -9.389 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -29.010 3.720 -7.733 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -28.103 4.313 -8.483 1.00 0.00 N ATOM 0 H HIS A 100 -26.089 1.433 -11.254 1.00 0.00 H new ATOM 0 HA HIS A 100 -26.494 0.257 -8.626 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -28.322 1.038 -10.920 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -28.904 0.240 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -26.850 3.601 -10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -29.570 4.182 -6.934 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -27.816 5.288 -8.402 1.00 0.00 H new ATOM 1567 N HIS A 101 -27.315 -1.404 -11.364 1.00 0.00 N ATOM 1568 CA HIS A 101 -27.404 -2.722 -11.983 1.00 0.00 C ATOM 1569 C HIS A 101 -27.157 -2.587 -13.478 1.00 0.00 C ATOM 1570 O HIS A 101 -26.572 -3.464 -14.109 1.00 0.00 O ATOM 1571 CB HIS A 101 -28.773 -3.375 -11.738 1.00 0.00 C ATOM 1572 CG HIS A 101 -28.999 -3.828 -10.324 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -28.680 -5.089 -9.884 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -29.510 -3.177 -9.248 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -28.982 -5.198 -8.605 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -29.486 -4.053 -8.192 1.00 0.00 N ATOM 0 H HIS A 101 -27.647 -0.644 -11.957 1.00 0.00 H new ATOM 0 HA HIS A 101 -26.648 -3.364 -11.531 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -29.554 -2.665 -12.009 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -28.877 -4.233 -12.403 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -29.869 -2.159 -9.227 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -28.840 -6.079 -7.997 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -29.805 -3.851 -7.245 1.00 0.00 H new ATOM 1585 N HIS A 102 -27.622 -1.474 -14.034 1.00 0.00 N ATOM 1586 CA HIS A 102 -27.380 -1.142 -15.430 1.00 0.00 C ATOM 1587 C HIS A 102 -26.808 0.259 -15.519 1.00 0.00 C ATOM 1588 O HIS A 102 -27.577 1.221 -15.324 1.00 0.00 O ATOM 1589 CB HIS A 102 -28.670 -1.221 -16.252 1.00 0.00 C ATOM 1590 CG HIS A 102 -29.278 -2.583 -16.293 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -30.546 -2.851 -15.838 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -28.787 -3.757 -16.747 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -30.812 -4.129 -16.007 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -29.761 -4.705 -16.557 1.00 0.00 N ATOM 1595 OXT HIS A 102 -25.593 0.392 -15.749 1.00 0.00 O ATOM 0 H HIS A 102 -28.175 -0.780 -13.531 1.00 0.00 H new ATOM 0 HA HIS A 102 -26.673 -1.864 -15.838 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -29.396 -0.522 -15.838 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -28.460 -0.897 -17.271 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -27.810 -3.919 -17.179 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -31.735 -4.622 -15.740 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -29.685 -5.692 -16.801 1.00 0.00 H new TER 1604 HIS A 102