USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= -4.06! C(o=-4!,f=-9.9!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0453 USER MOD Set 2.1: A 73 SER OG : rot 140:sc= 0.12! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -0.39 K(o=-0.27,f=-7.3!) USER MOD Single : A 11 SER OG : rot -60:sc= -2.07! USER MOD Single : A 17 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.32) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 120:sc= -1.03 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 34:sc= -2.65! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 37 SER OG : rot 34:sc= 0.165 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.67! C(o=-8.7!,f=-8.2!) USER MOD Single : A 45 SER OG : rot -112:sc= -0.809! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 138:sc= -5.22! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 176:sc= -0.0349 (180deg=-0.0785) USER MOD Single : A 60 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.9!) USER MOD Single : A 68 SER OG : rot 11:sc= 0.421! USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= -0.225 (180deg=-0.387) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 36:sc= 1.2 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 79 ASN : amide:sc= -2.99! C(o=-3!,f=-1.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 88:sc= 1.8 USER MOD Single : A 97 TYR OH : rot -100:sc= -4.03 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00284 USER MOD Single : A 100 ASN : amide:sc= -7.14! C(o=-7.1!,f=-19!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 89:sc= 1.16 USER MOD Single : A 108 ASN : amide:sc= -4.91! C(o=-4.9!,f=-4.2!) USER MOD Single : A 109 SER OG : rot -96:sc= -4.09! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -30.912 3.620 3.280 1.00 0.00 N ATOM 26 CA ARG A 8 -29.513 3.750 2.899 1.00 0.00 C ATOM 27 C ARG A 8 -29.077 2.647 1.935 1.00 0.00 C ATOM 28 O ARG A 8 -29.908 1.991 1.308 1.00 0.00 O ATOM 29 CB ARG A 8 -28.631 3.739 4.146 1.00 0.00 C ATOM 30 CG ARG A 8 -29.290 4.341 5.377 1.00 0.00 C ATOM 31 CD ARG A 8 -28.292 5.113 6.222 1.00 0.00 C ATOM 32 NE ARG A 8 -28.888 6.303 6.819 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.255 7.089 7.683 1.00 0.00 C ATOM 34 NH1 ARG A 8 -28.865 8.155 8.183 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.011 6.810 8.047 1.00 0.00 N ATOM 0 HA ARG A 8 -29.399 4.701 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.345 2.711 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -27.713 4.287 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.099 5.005 5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.738 3.548 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -27.907 4.466 7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.442 5.404 5.604 1.00 0.00 H new ATOM 0 HE ARG A 8 -29.844 6.545 6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.822 8.373 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.377 8.757 8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.539 5.991 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.526 7.414 8.710 1.00 0.00 H new ATOM 49 N CYS A 9 -27.768 2.455 1.822 1.00 0.00 N ATOM 50 CA CYS A 9 -27.214 1.443 0.930 1.00 0.00 C ATOM 51 C CYS A 9 -26.817 0.191 1.693 1.00 0.00 C ATOM 52 O CYS A 9 -26.807 0.192 2.921 1.00 0.00 O ATOM 53 CB CYS A 9 -25.993 1.999 0.203 1.00 0.00 C ATOM 54 SG CYS A 9 -26.357 2.685 -1.446 1.00 0.00 S ATOM 0 H CYS A 9 -27.069 2.988 2.338 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.986 1.178 0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.541 2.778 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.253 1.206 0.099 1.00 0.00 H new ATOM 59 N PRO A 10 -26.459 -0.885 0.958 1.00 0.00 N ATOM 60 CA PRO A 10 -26.036 -2.162 1.551 1.00 0.00 C ATOM 61 C PRO A 10 -24.927 -1.999 2.601 1.00 0.00 C ATOM 62 O PRO A 10 -24.867 -1.001 3.312 1.00 0.00 O ATOM 63 CB PRO A 10 -25.520 -2.953 0.345 1.00 0.00 C ATOM 64 CG PRO A 10 -26.263 -2.406 -0.821 1.00 0.00 C ATOM 65 CD PRO A 10 -26.500 -0.953 -0.522 1.00 0.00 C ATOM 0 HA PRO A 10 -26.852 -2.647 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -24.444 -2.827 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -25.705 -4.021 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.689 -2.526 -1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -27.206 -2.933 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.734 -0.322 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.461 -0.616 -0.911 1.00 0.00 H new ATOM 73 N SER A 11 -24.044 -2.991 2.691 1.00 0.00 N ATOM 74 CA SER A 11 -22.974 -2.991 3.688 1.00 0.00 C ATOM 75 C SER A 11 -22.386 -1.637 3.947 1.00 0.00 C ATOM 76 O SER A 11 -22.838 -1.001 4.903 1.00 0.00 O ATOM 77 CB SER A 11 -21.954 -4.080 3.388 1.00 0.00 C ATOM 78 OG SER A 11 -20.877 -4.045 4.306 1.00 0.00 O ATOM 0 H SER A 11 -24.048 -3.810 2.082 1.00 0.00 H new ATOM 0 HA SER A 11 -23.424 -3.246 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.438 -5.056 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.574 -3.956 2.374 1.00 0.00 H new ATOM 0 HG SER A 11 -20.431 -3.174 4.254 1.00 0.00 H new ATOM 84 N PRO A 12 -21.410 -1.102 3.216 1.00 0.00 N ATOM 85 CA PRO A 12 -20.687 -1.668 2.054 1.00 0.00 C ATOM 86 C PRO A 12 -19.619 -2.704 2.398 1.00 0.00 C ATOM 87 O PRO A 12 -19.069 -2.716 3.500 1.00 0.00 O ATOM 88 CB PRO A 12 -19.959 -0.435 1.532 1.00 0.00 C ATOM 89 CG PRO A 12 -19.653 0.315 2.781 1.00 0.00 C ATOM 90 CD PRO A 12 -20.894 0.181 3.593 1.00 0.00 C ATOM 0 HA PRO A 12 -21.377 -2.182 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.053 -0.700 0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -20.582 0.146 0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.790 -0.105 3.298 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.423 1.360 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.681 0.229 4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -21.604 0.978 3.374 1.00 0.00 H new ATOM 98 N ARG A 13 -19.301 -3.538 1.412 1.00 0.00 N ATOM 99 CA ARG A 13 -18.287 -4.571 1.558 1.00 0.00 C ATOM 100 C ARG A 13 -17.005 -3.990 2.111 1.00 0.00 C ATOM 101 O ARG A 13 -16.750 -2.795 2.001 1.00 0.00 O ATOM 102 CB ARG A 13 -18.028 -5.243 0.207 1.00 0.00 C ATOM 103 CG ARG A 13 -16.810 -6.150 0.181 1.00 0.00 C ATOM 104 CD ARG A 13 -17.050 -7.436 0.953 1.00 0.00 C ATOM 105 NE ARG A 13 -17.769 -8.426 0.157 1.00 0.00 N ATOM 106 CZ ARG A 13 -18.183 -9.594 0.634 1.00 0.00 C ATOM 107 NH1 ARG A 13 -17.951 -9.916 1.900 1.00 0.00 N ATOM 108 NH2 ARG A 13 -18.830 -10.443 -0.153 1.00 0.00 N ATOM 0 H ARG A 13 -19.740 -3.515 0.492 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.652 -5.319 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.906 -5.826 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.907 -4.470 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.555 -6.388 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.956 -5.624 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.094 -7.852 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.618 -7.216 1.857 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.964 -8.208 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.454 -9.266 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.270 -10.814 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.011 -10.199 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.147 -11.340 0.216 1.00 0.00 H new ATOM 122 N ASP A 14 -16.214 -4.850 2.721 1.00 0.00 N ATOM 123 CA ASP A 14 -14.951 -4.444 3.308 1.00 0.00 C ATOM 124 C ASP A 14 -13.779 -4.991 2.510 1.00 0.00 C ATOM 125 O ASP A 14 -13.958 -5.618 1.466 1.00 0.00 O ATOM 126 CB ASP A 14 -14.869 -4.931 4.753 1.00 0.00 C ATOM 127 CG ASP A 14 -14.719 -3.792 5.742 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.615 -3.625 6.596 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.704 -3.068 5.665 1.00 0.00 O ATOM 0 H ASP A 14 -16.425 -5.843 2.824 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.899 -3.355 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.767 -5.500 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.024 -5.611 4.856 1.00 0.00 H new ATOM 134 N ILE A 15 -12.580 -4.750 3.014 1.00 0.00 N ATOM 135 CA ILE A 15 -11.367 -5.218 2.360 1.00 0.00 C ATOM 136 C ILE A 15 -10.487 -5.987 3.341 1.00 0.00 C ATOM 137 O ILE A 15 -10.483 -5.706 4.539 1.00 0.00 O ATOM 138 CB ILE A 15 -10.570 -4.046 1.760 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.306 -4.551 1.064 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.218 -3.041 2.841 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.839 -3.649 -0.057 1.00 0.00 C ATOM 0 H ILE A 15 -12.419 -4.231 3.877 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.668 -5.884 1.552 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.193 -3.551 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.508 -4.647 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.493 -5.548 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.654 -2.217 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.133 -2.656 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.614 -3.527 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.938 -4.066 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.621 -3.573 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.621 -2.658 0.341 1.00 0.00 H new ATOM 153 N ASP A 16 -9.766 -6.977 2.828 1.00 0.00 N ATOM 154 CA ASP A 16 -8.907 -7.812 3.661 1.00 0.00 C ATOM 155 C ASP A 16 -7.548 -7.159 3.886 1.00 0.00 C ATOM 156 O ASP A 16 -7.010 -7.187 4.993 1.00 0.00 O ATOM 157 CB ASP A 16 -8.721 -9.187 3.015 1.00 0.00 C ATOM 158 CG ASP A 16 -8.421 -10.271 4.032 1.00 0.00 C ATOM 159 OD1 ASP A 16 -8.468 -9.978 5.245 1.00 0.00 O ATOM 160 OD2 ASP A 16 -8.141 -11.415 3.615 1.00 0.00 O ATOM 0 H ASP A 16 -9.759 -7.222 1.838 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.393 -7.929 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.623 -9.451 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.908 -9.138 2.291 1.00 0.00 H new ATOM 165 N ASN A 17 -6.991 -6.582 2.827 1.00 0.00 N ATOM 166 CA ASN A 17 -5.685 -5.938 2.910 1.00 0.00 C ATOM 167 C ASN A 17 -5.830 -4.423 2.960 1.00 0.00 C ATOM 168 O ASN A 17 -5.044 -3.692 2.357 1.00 0.00 O ATOM 169 CB ASN A 17 -4.811 -6.343 1.719 1.00 0.00 C ATOM 170 CG ASN A 17 -5.053 -7.775 1.276 1.00 0.00 C ATOM 171 OD1 ASN A 17 -4.953 -8.094 0.091 1.00 0.00 O ATOM 172 ND2 ASN A 17 -5.384 -8.644 2.226 1.00 0.00 N ATOM 0 H ASN A 17 -7.422 -6.547 1.903 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.203 -6.270 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.007 -5.670 0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.761 -6.222 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.566 -9.618 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.456 -8.337 3.196 1.00 0.00 H new ATOM 179 N GLY A 18 -6.837 -3.960 3.689 1.00 0.00 N ATOM 180 CA GLY A 18 -7.067 -2.532 3.809 1.00 0.00 C ATOM 181 C GLY A 18 -8.194 -2.197 4.768 1.00 0.00 C ATOM 182 O GLY A 18 -8.723 -3.074 5.450 1.00 0.00 O ATOM 0 H GLY A 18 -7.498 -4.546 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.151 -2.048 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.298 -2.122 2.826 1.00 0.00 H new ATOM 186 N GLN A 19 -8.561 -0.920 4.814 1.00 0.00 N ATOM 187 CA GLN A 19 -9.634 -0.456 5.686 1.00 0.00 C ATOM 188 C GLN A 19 -10.501 0.569 4.963 1.00 0.00 C ATOM 189 O GLN A 19 -9.992 1.425 4.237 1.00 0.00 O ATOM 190 CB GLN A 19 -9.064 0.164 6.967 1.00 0.00 C ATOM 191 CG GLN A 19 -7.705 -0.387 7.371 1.00 0.00 C ATOM 192 CD GLN A 19 -7.511 -0.418 8.875 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.324 -1.482 9.466 1.00 0.00 O ATOM 194 NE2 GLN A 19 -7.553 0.752 9.501 1.00 0.00 N ATOM 0 H GLN A 19 -8.128 -0.185 4.254 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.246 -1.317 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.981 1.242 6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.768 -0.001 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.593 -1.396 6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.922 0.222 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.711 1.609 8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.428 0.794 10.512 1.00 0.00 H new ATOM 203 N LEU A 20 -11.810 0.485 5.176 1.00 0.00 N ATOM 204 CA LEU A 20 -12.747 1.387 4.534 1.00 0.00 C ATOM 205 C LEU A 20 -12.912 2.687 5.307 1.00 0.00 C ATOM 206 O LEU A 20 -12.834 2.712 6.535 1.00 0.00 O ATOM 207 CB LEU A 20 -14.106 0.714 4.433 1.00 0.00 C ATOM 208 CG LEU A 20 -14.351 -0.071 3.155 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.745 -0.645 3.184 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.330 -1.182 2.993 1.00 0.00 C ATOM 0 H LEU A 20 -12.243 -0.203 5.792 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.349 1.622 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.223 0.040 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.878 1.478 4.524 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.249 0.602 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.925 -1.209 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.848 -1.306 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.470 0.165 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.529 -1.727 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.329 -0.753 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.398 -1.865 3.840 1.00 0.00 H new ATOM 222 N ASP A 21 -13.221 3.749 4.576 1.00 0.00 N ATOM 223 CA ASP A 21 -13.511 5.042 5.178 1.00 0.00 C ATOM 224 C ASP A 21 -14.922 5.471 4.791 1.00 0.00 C ATOM 225 O ASP A 21 -15.110 6.351 3.951 1.00 0.00 O ATOM 226 CB ASP A 21 -12.491 6.090 4.732 1.00 0.00 C ATOM 227 CG ASP A 21 -11.872 6.826 5.904 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.415 7.881 6.296 1.00 0.00 O ATOM 229 OD2 ASP A 21 -10.847 6.346 6.433 1.00 0.00 O ATOM 0 H ASP A 21 -13.277 3.739 3.558 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.444 4.953 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.704 5.605 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.976 6.808 4.071 1.00 0.00 H new ATOM 234 N ILE A 22 -15.910 4.803 5.379 1.00 0.00 N ATOM 235 CA ILE A 22 -17.311 5.059 5.058 1.00 0.00 C ATOM 236 C ILE A 22 -17.760 6.424 5.556 1.00 0.00 C ATOM 237 O ILE A 22 -18.121 6.587 6.722 1.00 0.00 O ATOM 238 CB ILE A 22 -18.246 3.985 5.654 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.572 2.605 5.627 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.564 3.960 4.894 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.518 1.448 5.878 1.00 0.00 C ATOM 0 H ILE A 22 -15.766 4.078 6.082 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.379 5.028 3.971 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.451 4.237 6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.094 2.465 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.782 2.584 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.217 3.199 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.046 4.935 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.375 3.728 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.963 0.510 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.978 1.560 6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.294 1.440 5.113 1.00 0.00 H new ATOM 253 N GLY A 23 -17.756 7.399 4.656 1.00 0.00 N ATOM 254 CA GLY A 23 -18.205 8.730 5.007 1.00 0.00 C ATOM 255 C GLY A 23 -19.699 8.909 4.794 1.00 0.00 C ATOM 256 O GLY A 23 -20.216 10.020 4.913 1.00 0.00 O ATOM 0 H GLY A 23 -17.450 7.291 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.963 8.929 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.664 9.463 4.408 1.00 0.00 H new ATOM 260 N GLY A 24 -20.396 7.815 4.477 1.00 0.00 N ATOM 261 CA GLY A 24 -21.828 7.892 4.256 1.00 0.00 C ATOM 262 C GLY A 24 -22.353 6.728 3.439 1.00 0.00 C ATOM 263 O GLY A 24 -21.744 6.330 2.446 1.00 0.00 O ATOM 0 H GLY A 24 -19.994 6.884 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.340 7.917 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.064 8.826 3.745 1.00 0.00 H new ATOM 267 N VAL A 25 -23.490 6.184 3.859 1.00 0.00 N ATOM 268 CA VAL A 25 -24.103 5.057 3.169 1.00 0.00 C ATOM 269 C VAL A 25 -25.433 5.454 2.539 1.00 0.00 C ATOM 270 O VAL A 25 -26.305 4.612 2.325 1.00 0.00 O ATOM 271 CB VAL A 25 -24.337 3.874 4.126 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.014 3.235 4.517 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.103 4.331 5.358 1.00 0.00 C ATOM 0 H VAL A 25 -24.007 6.507 4.677 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.409 4.752 2.386 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.937 3.124 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.199 2.401 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.507 2.872 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.386 3.974 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.260 3.483 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -24.531 5.100 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.068 4.739 5.056 1.00 0.00 H new ATOM 283 N ASP A 26 -25.584 6.740 2.243 1.00 0.00 N ATOM 284 CA ASP A 26 -26.812 7.243 1.636 1.00 0.00 C ATOM 285 C ASP A 26 -26.636 7.450 0.136 1.00 0.00 C ATOM 286 O ASP A 26 -25.576 7.877 -0.322 1.00 0.00 O ATOM 287 CB ASP A 26 -27.244 8.560 2.289 1.00 0.00 C ATOM 288 CG ASP A 26 -26.070 9.432 2.693 1.00 0.00 C ATOM 289 OD1 ASP A 26 -25.837 10.460 2.023 1.00 0.00 O ATOM 290 OD2 ASP A 26 -25.385 9.086 3.678 1.00 0.00 O ATOM 0 H ASP A 26 -24.874 7.452 2.413 1.00 0.00 H new ATOM 0 HA ASP A 26 -27.588 6.495 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -27.879 9.112 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -27.848 8.342 3.170 1.00 0.00 H new ATOM 295 N PHE A 27 -27.687 7.151 -0.623 1.00 0.00 N ATOM 296 CA PHE A 27 -27.662 7.316 -2.075 1.00 0.00 C ATOM 297 C PHE A 27 -27.104 8.680 -2.452 1.00 0.00 C ATOM 298 O PHE A 27 -27.828 9.674 -2.498 1.00 0.00 O ATOM 299 CB PHE A 27 -29.070 7.147 -2.649 1.00 0.00 C ATOM 300 CG PHE A 27 -29.170 7.459 -4.115 1.00 0.00 C ATOM 301 CD1 PHE A 27 -30.270 8.136 -4.617 1.00 0.00 C ATOM 302 CD2 PHE A 27 -28.169 7.070 -4.991 1.00 0.00 C ATOM 303 CE1 PHE A 27 -30.369 8.422 -5.965 1.00 0.00 C ATOM 304 CE2 PHE A 27 -28.263 7.354 -6.341 1.00 0.00 C ATOM 305 CZ PHE A 27 -29.365 8.031 -6.828 1.00 0.00 C ATOM 0 H PHE A 27 -28.569 6.792 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 27 -27.012 6.549 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -29.399 6.121 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -29.755 7.795 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -31.059 8.444 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -27.307 6.540 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -31.231 8.951 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -27.476 7.047 -7.014 1.00 0.00 H new ATOM 0 HZ PHE A 27 -29.441 8.254 -7.882 1.00 0.00 H new ATOM 315 N GLY A 28 -25.804 8.716 -2.699 1.00 0.00 N ATOM 316 CA GLY A 28 -25.147 9.956 -3.046 1.00 0.00 C ATOM 317 C GLY A 28 -23.848 10.159 -2.287 1.00 0.00 C ATOM 318 O GLY A 28 -23.131 11.129 -2.531 1.00 0.00 O ATOM 0 H GLY A 28 -25.190 7.903 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -24.944 9.968 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -25.819 10.789 -2.839 1.00 0.00 H new ATOM 322 N SER A 29 -23.542 9.252 -1.357 1.00 0.00 N ATOM 323 CA SER A 29 -22.312 9.343 -0.591 1.00 0.00 C ATOM 324 C SER A 29 -21.219 8.530 -1.269 1.00 0.00 C ATOM 325 O SER A 29 -21.332 8.186 -2.446 1.00 0.00 O ATOM 326 CB SER A 29 -22.539 8.841 0.837 1.00 0.00 C ATOM 327 OG SER A 29 -22.254 9.855 1.785 1.00 0.00 O ATOM 0 H SER A 29 -24.130 8.452 -1.122 1.00 0.00 H new ATOM 0 HA SER A 29 -21.999 10.386 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 29 -23.572 8.513 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 29 -21.906 7.974 1.026 1.00 0.00 H new ATOM 0 HG SER A 29 -23.058 10.046 2.311 1.00 0.00 H new ATOM 333 N SER A 30 -20.169 8.216 -0.528 1.00 0.00 N ATOM 334 CA SER A 30 -19.072 7.434 -1.075 1.00 0.00 C ATOM 335 C SER A 30 -18.135 6.966 0.024 1.00 0.00 C ATOM 336 O SER A 30 -17.993 7.618 1.059 1.00 0.00 O ATOM 337 CB SER A 30 -18.295 8.254 -2.108 1.00 0.00 C ATOM 338 OG SER A 30 -18.347 9.637 -1.806 1.00 0.00 O ATOM 0 H SER A 30 -20.053 8.488 0.448 1.00 0.00 H new ATOM 0 HA SER A 30 -19.497 6.557 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.257 7.923 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 -18.709 8.080 -3.101 1.00 0.00 H new ATOM 0 HG SER A 30 -17.842 10.138 -2.480 1.00 0.00 H new ATOM 344 N ILE A 31 -17.507 5.826 -0.208 1.00 0.00 N ATOM 345 CA ILE A 31 -16.567 5.265 0.749 1.00 0.00 C ATOM 346 C ILE A 31 -15.140 5.481 0.262 1.00 0.00 C ATOM 347 O ILE A 31 -14.916 5.735 -0.920 1.00 0.00 O ATOM 348 CB ILE A 31 -16.796 3.752 0.986 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.211 3.319 0.595 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.554 3.406 2.438 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.354 1.825 0.478 1.00 0.00 C ATOM 0 H ILE A 31 -17.631 5.269 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.730 5.781 1.695 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.088 3.218 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.917 3.690 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.477 3.780 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.719 2.339 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.527 3.657 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.241 3.972 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.378 1.578 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.670 1.453 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.117 1.361 1.435 1.00 0.00 H new ATOM 363 N THR A 32 -14.181 5.403 1.175 1.00 0.00 N ATOM 364 CA THR A 32 -12.779 5.578 0.818 1.00 0.00 C ATOM 365 C THR A 32 -11.960 4.382 1.279 1.00 0.00 C ATOM 366 O THR A 32 -11.840 4.124 2.477 1.00 0.00 O ATOM 367 CB THR A 32 -12.222 6.865 1.427 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.205 7.885 1.430 1.00 0.00 O ATOM 369 CG2 THR A 32 -11.009 7.394 0.694 1.00 0.00 C ATOM 0 H THR A 32 -14.347 5.220 2.165 1.00 0.00 H new ATOM 0 HA THR A 32 -12.711 5.652 -0.267 1.00 0.00 H new ATOM 0 HB THR A 32 -11.926 6.602 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.830 8.700 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.663 8.308 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.215 6.648 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.274 7.608 -0.341 1.00 0.00 H new ATOM 377 N TYR A 33 -11.410 3.644 0.322 1.00 0.00 N ATOM 378 CA TYR A 33 -10.640 2.452 0.634 1.00 0.00 C ATOM 379 C TYR A 33 -9.161 2.757 0.794 1.00 0.00 C ATOM 380 O TYR A 33 -8.626 3.668 0.162 1.00 0.00 O ATOM 381 CB TYR A 33 -10.839 1.405 -0.455 1.00 0.00 C ATOM 382 CG TYR A 33 -12.103 0.611 -0.277 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.052 -0.755 -0.057 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.343 1.235 -0.293 1.00 0.00 C ATOM 385 CE1 TYR A 33 -13.207 -1.493 0.109 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.506 0.506 -0.130 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.432 -0.857 0.078 1.00 0.00 C ATOM 388 OH TYR A 33 -15.586 -1.586 0.249 1.00 0.00 O ATOM 0 H TYR A 33 -11.484 3.852 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.002 2.066 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.859 1.898 -1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.986 0.726 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.094 -1.251 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.400 2.304 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -13.153 -2.561 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.466 0.999 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.418 -2.322 0.873 1.00 0.00 H new ATOM 398 N SER A 34 -8.506 1.974 1.639 1.00 0.00 N ATOM 399 CA SER A 34 -7.079 2.140 1.887 1.00 0.00 C ATOM 400 C SER A 34 -6.454 0.825 2.338 1.00 0.00 C ATOM 401 O SER A 34 -7.095 0.030 3.019 1.00 0.00 O ATOM 402 CB SER A 34 -6.847 3.218 2.947 1.00 0.00 C ATOM 403 OG SER A 34 -6.341 4.406 2.364 1.00 0.00 O ATOM 0 H SER A 34 -8.940 1.216 2.166 1.00 0.00 H new ATOM 0 HA SER A 34 -6.605 2.449 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.783 3.432 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.147 2.850 3.697 1.00 0.00 H new ATOM 0 HG SER A 34 -6.203 5.080 3.062 1.00 0.00 H new ATOM 409 N CYS A 35 -5.206 0.595 1.949 1.00 0.00 N ATOM 410 CA CYS A 35 -4.511 -0.627 2.326 1.00 0.00 C ATOM 411 C CYS A 35 -4.183 -0.621 3.816 1.00 0.00 C ATOM 412 O CYS A 35 -4.299 0.408 4.481 1.00 0.00 O ATOM 413 CB CYS A 35 -3.233 -0.778 1.504 1.00 0.00 C ATOM 414 SG CYS A 35 -3.489 -1.520 -0.140 1.00 0.00 S ATOM 0 H CYS A 35 -4.658 1.236 1.375 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.165 -1.475 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.775 0.203 1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.526 -1.392 2.062 1.00 0.00 H new ATOM 419 N ASN A 36 -3.784 -1.776 4.338 1.00 0.00 N ATOM 420 CA ASN A 36 -3.454 -1.897 5.754 1.00 0.00 C ATOM 421 C ASN A 36 -2.176 -1.132 6.085 1.00 0.00 C ATOM 422 O ASN A 36 -2.226 0.019 6.520 1.00 0.00 O ATOM 423 CB ASN A 36 -3.300 -3.369 6.140 1.00 0.00 C ATOM 424 CG ASN A 36 -4.454 -3.868 6.988 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.527 -3.590 8.185 1.00 0.00 O ATOM 426 ND2 ASN A 36 -5.365 -4.611 6.370 1.00 0.00 N ATOM 0 H ASN A 36 -3.681 -2.639 3.804 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.272 -1.463 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.229 -3.973 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.367 -3.503 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.164 -4.975 6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.266 -4.817 5.376 1.00 0.00 H new ATOM 433 N SER A 37 -1.032 -1.777 5.880 1.00 0.00 N ATOM 434 CA SER A 37 0.257 -1.152 6.152 1.00 0.00 C ATOM 435 C SER A 37 1.345 -1.759 5.276 1.00 0.00 C ATOM 436 O SER A 37 1.435 -2.979 5.134 1.00 0.00 O ATOM 437 CB SER A 37 0.627 -1.310 7.629 1.00 0.00 C ATOM 438 OG SER A 37 0.190 -0.195 8.387 1.00 0.00 O ATOM 0 H SER A 37 -0.972 -2.732 5.527 1.00 0.00 H new ATOM 0 HA SER A 37 0.175 -0.090 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.177 -2.221 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.707 -1.419 7.727 1.00 0.00 H new ATOM 0 HG SER A 37 -0.647 0.148 8.011 1.00 0.00 H new ATOM 444 N GLY A 38 2.168 -0.900 4.686 1.00 0.00 N ATOM 445 CA GLY A 38 3.225 -1.371 3.812 1.00 0.00 C ATOM 446 C GLY A 38 2.674 -2.003 2.551 1.00 0.00 C ATOM 447 O GLY A 38 3.317 -2.859 1.942 1.00 0.00 O ATOM 0 H GLY A 38 2.122 0.113 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.875 -0.537 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.839 -2.097 4.344 1.00 0.00 H new ATOM 451 N TYR A 39 1.474 -1.585 2.165 1.00 0.00 N ATOM 452 CA TYR A 39 0.820 -2.119 0.977 1.00 0.00 C ATOM 453 C TYR A 39 0.564 -1.021 -0.049 1.00 0.00 C ATOM 454 O TYR A 39 0.719 0.165 0.243 1.00 0.00 O ATOM 455 CB TYR A 39 -0.506 -2.779 1.361 1.00 0.00 C ATOM 456 CG TYR A 39 -0.409 -4.271 1.580 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.696 -4.832 2.208 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.426 -5.119 1.163 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.788 -6.196 2.406 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.344 -6.484 1.360 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.235 -7.018 1.982 1.00 0.00 C ATOM 462 OH TYR A 39 -0.149 -8.376 2.181 1.00 0.00 O ATOM 0 H TYR A 39 0.933 -0.876 2.660 1.00 0.00 H new ATOM 0 HA TYR A 39 1.483 -2.861 0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.882 -2.312 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.238 -2.584 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.496 -4.191 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.296 -4.704 0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.657 -6.617 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.144 -7.129 1.029 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.952 -8.810 1.825 1.00 0.00 H new ATOM 472 N HIS A 40 0.157 -1.425 -1.248 1.00 0.00 N ATOM 473 CA HIS A 40 -0.160 -0.475 -2.305 1.00 0.00 C ATOM 474 C HIS A 40 -1.474 -0.851 -2.980 1.00 0.00 C ATOM 475 O HIS A 40 -1.583 -1.900 -3.615 1.00 0.00 O ATOM 476 CB HIS A 40 0.973 -0.403 -3.336 1.00 0.00 C ATOM 477 CG HIS A 40 1.030 -1.572 -4.272 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.222 -1.437 -5.631 1.00 0.00 N ATOM 479 CD2 HIS A 40 0.924 -2.901 -4.039 1.00 0.00 C ATOM 480 CE1 HIS A 40 1.229 -2.632 -6.194 1.00 0.00 C ATOM 481 NE2 HIS A 40 1.050 -3.537 -5.250 1.00 0.00 N ATOM 0 H HIS A 40 0.039 -2.404 -1.511 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.269 0.511 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.859 0.510 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.924 -0.328 -2.809 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.340 -0.552 -6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.769 -3.373 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.359 -2.834 -7.247 1.00 0.00 H new ATOM 490 N LEU A 41 -2.475 -0.001 -2.807 1.00 0.00 N ATOM 491 CA LEU A 41 -3.789 -0.236 -3.382 1.00 0.00 C ATOM 492 C LEU A 41 -3.810 0.145 -4.856 1.00 0.00 C ATOM 493 O LEU A 41 -3.501 1.280 -5.218 1.00 0.00 O ATOM 494 CB LEU A 41 -4.840 0.567 -2.615 1.00 0.00 C ATOM 495 CG LEU A 41 -6.223 0.605 -3.259 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.304 0.631 -2.190 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.344 1.810 -4.176 1.00 0.00 C ATOM 0 H LEU A 41 -2.400 0.863 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.019 -1.298 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.934 0.149 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.481 1.590 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.356 -0.296 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.285 0.658 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.225 -0.263 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.178 1.516 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.335 1.825 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.195 2.723 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.588 1.749 -4.959 1.00 0.00 H new ATOM 509 N ILE A 42 -4.161 -0.814 -5.706 1.00 0.00 N ATOM 510 CA ILE A 42 -4.201 -0.575 -7.144 1.00 0.00 C ATOM 511 C ILE A 42 -5.605 -0.215 -7.605 1.00 0.00 C ATOM 512 O ILE A 42 -6.593 -0.544 -6.947 1.00 0.00 O ATOM 513 CB ILE A 42 -3.706 -1.793 -7.953 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.640 -2.567 -7.173 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.152 -1.337 -9.292 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.497 -1.699 -6.696 1.00 0.00 C ATOM 0 H ILE A 42 -4.421 -1.760 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.529 0.263 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.551 -2.459 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.106 -3.046 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.244 -3.362 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.805 -2.203 -9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.934 -0.827 -9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.319 -0.654 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.778 -2.311 -6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.006 -1.240 -7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.882 -0.919 -6.039 1.00 0.00 H new ATOM 528 N GLY A 43 -5.683 0.464 -8.742 1.00 0.00 N ATOM 529 CA GLY A 43 -6.967 0.875 -9.275 1.00 0.00 C ATOM 530 C GLY A 43 -7.559 2.039 -8.506 1.00 0.00 C ATOM 531 O GLY A 43 -6.858 2.998 -8.185 1.00 0.00 O ATOM 0 H GLY A 43 -4.878 0.738 -9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.851 1.155 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.658 0.032 -9.245 1.00 0.00 H new ATOM 535 N GLU A 44 -8.849 1.952 -8.200 1.00 0.00 N ATOM 536 CA GLU A 44 -9.528 3.001 -7.454 1.00 0.00 C ATOM 537 C GLU A 44 -9.362 2.793 -5.954 1.00 0.00 C ATOM 538 O GLU A 44 -8.649 1.891 -5.519 1.00 0.00 O ATOM 539 CB GLU A 44 -11.014 3.018 -7.809 1.00 0.00 C ATOM 540 CG GLU A 44 -11.673 1.657 -7.692 1.00 0.00 C ATOM 541 CD GLU A 44 -12.304 1.199 -8.992 1.00 0.00 C ATOM 542 OE1 GLU A 44 -11.929 0.113 -9.483 1.00 0.00 O ATOM 543 OE2 GLU A 44 -13.173 1.925 -9.518 1.00 0.00 O ATOM 0 H GLU A 44 -9.444 1.165 -8.458 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.080 3.957 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.529 3.721 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.133 3.386 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.931 0.924 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.437 1.693 -6.915 1.00 0.00 H new ATOM 550 N SER A 45 -10.043 3.623 -5.173 1.00 0.00 N ATOM 551 CA SER A 45 -9.989 3.539 -3.718 1.00 0.00 C ATOM 552 C SER A 45 -11.182 4.249 -3.102 1.00 0.00 C ATOM 553 O SER A 45 -11.113 4.737 -1.974 1.00 0.00 O ATOM 554 CB SER A 45 -8.692 4.161 -3.197 1.00 0.00 C ATOM 555 OG SER A 45 -8.110 3.359 -2.186 1.00 0.00 O ATOM 0 H SER A 45 -10.644 4.368 -5.526 1.00 0.00 H new ATOM 0 HA SER A 45 -10.018 2.487 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.987 4.282 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.896 5.157 -2.803 1.00 0.00 H new ATOM 0 HG SER A 45 -8.164 3.826 -1.326 1.00 0.00 H new ATOM 561 N LYS A 46 -12.277 4.306 -3.849 1.00 0.00 N ATOM 562 CA LYS A 46 -13.476 4.969 -3.371 1.00 0.00 C ATOM 563 C LYS A 46 -14.729 4.356 -3.982 1.00 0.00 C ATOM 564 O LYS A 46 -14.823 4.185 -5.197 1.00 0.00 O ATOM 565 CB LYS A 46 -13.411 6.460 -3.694 1.00 0.00 C ATOM 566 CG LYS A 46 -12.936 7.310 -2.531 1.00 0.00 C ATOM 567 CD LYS A 46 -12.043 8.447 -2.999 1.00 0.00 C ATOM 568 CE LYS A 46 -12.774 9.779 -2.967 1.00 0.00 C ATOM 569 NZ LYS A 46 -11.880 10.912 -3.329 1.00 0.00 N ATOM 0 H LYS A 46 -12.357 3.903 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.529 4.835 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.742 6.611 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.399 6.800 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.797 7.717 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.391 6.686 -1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.158 8.501 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.696 8.245 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.617 9.747 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.184 9.944 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.417 11.802 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.089 10.959 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.509 10.768 -4.290 1.00 0.00 H new ATOM 583 N SER A 47 -15.688 4.028 -3.126 1.00 0.00 N ATOM 584 CA SER A 47 -16.946 3.447 -3.568 1.00 0.00 C ATOM 585 C SER A 47 -18.033 4.505 -3.586 1.00 0.00 C ATOM 586 O SER A 47 -17.923 5.526 -2.907 1.00 0.00 O ATOM 587 CB SER A 47 -17.337 2.283 -2.648 1.00 0.00 C ATOM 588 OG SER A 47 -18.618 2.462 -2.087 1.00 0.00 O ATOM 0 H SER A 47 -15.616 4.156 -2.117 1.00 0.00 H new ATOM 0 HA SER A 47 -16.825 3.063 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.315 1.351 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 47 -16.601 2.189 -1.849 1.00 0.00 H new ATOM 0 HG SER A 47 -19.106 1.612 -2.108 1.00 0.00 H new ATOM 594 N TYR A 48 -19.093 4.258 -4.344 1.00 0.00 N ATOM 595 CA TYR A 48 -20.178 5.242 -4.414 1.00 0.00 C ATOM 596 C TYR A 48 -21.546 4.604 -4.228 1.00 0.00 C ATOM 597 O TYR A 48 -21.948 3.724 -4.986 1.00 0.00 O ATOM 598 CB TYR A 48 -20.128 6.027 -5.729 1.00 0.00 C ATOM 599 CG TYR A 48 -18.733 6.162 -6.290 1.00 0.00 C ATOM 600 CD1 TYR A 48 -18.428 5.719 -7.569 1.00 0.00 C ATOM 601 CD2 TYR A 48 -17.714 6.698 -5.518 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.146 5.830 -8.073 1.00 0.00 C ATOM 603 CE2 TYR A 48 -16.430 6.812 -6.012 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.150 6.377 -7.291 1.00 0.00 C ATOM 605 OH TYR A 48 -14.872 6.489 -7.788 1.00 0.00 O ATOM 0 H TYR A 48 -19.229 3.416 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.026 5.936 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -20.762 5.531 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -20.545 7.021 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.204 5.281 -8.180 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.928 7.032 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.925 5.490 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.649 7.239 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.292 6.896 -7.111 1.00 0.00 H new ATOM 615 N CYS A 49 -22.260 5.075 -3.213 1.00 0.00 N ATOM 616 CA CYS A 49 -23.596 4.586 -2.923 1.00 0.00 C ATOM 617 C CYS A 49 -24.583 5.153 -3.928 1.00 0.00 C ATOM 618 O CYS A 49 -25.226 6.173 -3.682 1.00 0.00 O ATOM 619 CB CYS A 49 -23.994 4.970 -1.498 1.00 0.00 C ATOM 620 SG CYS A 49 -25.762 4.759 -1.116 1.00 0.00 S ATOM 0 H CYS A 49 -21.931 5.800 -2.575 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.607 3.499 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.412 4.370 -0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -23.722 6.012 -1.328 1.00 0.00 H new ATOM 625 N GLU A 50 -24.671 4.498 -5.071 1.00 0.00 N ATOM 626 CA GLU A 50 -25.555 4.952 -6.138 1.00 0.00 C ATOM 627 C GLU A 50 -26.817 4.104 -6.220 1.00 0.00 C ATOM 628 O GLU A 50 -27.027 3.196 -5.416 1.00 0.00 O ATOM 629 CB GLU A 50 -24.824 4.929 -7.481 1.00 0.00 C ATOM 630 CG GLU A 50 -24.475 6.314 -8.003 1.00 0.00 C ATOM 631 CD GLU A 50 -23.233 6.314 -8.873 1.00 0.00 C ATOM 632 OE1 GLU A 50 -23.192 7.094 -9.848 1.00 0.00 O ATOM 633 OE2 GLU A 50 -22.302 5.536 -8.579 1.00 0.00 O ATOM 0 H GLU A 50 -24.144 3.652 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 50 -25.851 5.975 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.909 4.346 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.446 4.418 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.316 6.704 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.324 6.988 -7.160 1.00 0.00 H new ATOM 640 N LEU A 51 -27.659 4.422 -7.196 1.00 0.00 N ATOM 641 CA LEU A 51 -28.916 3.712 -7.392 1.00 0.00 C ATOM 642 C LEU A 51 -28.728 2.511 -8.314 1.00 0.00 C ATOM 643 O LEU A 51 -27.946 2.561 -9.264 1.00 0.00 O ATOM 644 CB LEU A 51 -29.965 4.658 -7.977 1.00 0.00 C ATOM 645 CG LEU A 51 -29.714 5.065 -9.427 1.00 0.00 C ATOM 646 CD1 LEU A 51 -29.124 6.465 -9.498 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.000 4.984 -10.235 1.00 0.00 C ATOM 0 H LEU A 51 -27.492 5.172 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 51 -29.257 3.349 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.943 4.181 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.007 5.557 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.994 4.369 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -28.953 6.735 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -29.818 7.175 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -28.178 6.489 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -30.801 5.278 -11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -31.378 3.962 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.744 5.654 -9.804 1.00 0.00 H new ATOM 709 N MET A 57 -30.513 0.625 -4.101 1.00 0.00 N ATOM 710 CA MET A 57 -29.294 1.147 -3.508 1.00 0.00 C ATOM 711 C MET A 57 -28.133 0.215 -3.809 1.00 0.00 C ATOM 712 O MET A 57 -28.138 -0.951 -3.416 1.00 0.00 O ATOM 713 CB MET A 57 -29.444 1.322 -1.991 1.00 0.00 C ATOM 714 CG MET A 57 -30.826 0.974 -1.449 1.00 0.00 C ATOM 715 SD MET A 57 -31.025 -0.790 -1.134 1.00 0.00 S ATOM 716 CE MET A 57 -30.775 -0.850 0.639 1.00 0.00 C ATOM 0 HA MET A 57 -29.097 2.126 -3.944 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.704 0.698 -1.491 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.216 2.356 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 57 -30.999 1.526 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.584 1.300 -2.161 1.00 0.00 H new ATOM 0 HE1 MET A 57 -30.937 -1.867 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 57 -29.756 -0.542 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 57 -31.479 -0.177 1.129 1.00 0.00 H new ATOM 726 N VAL A 58 -27.159 0.730 -4.537 1.00 0.00 N ATOM 727 CA VAL A 58 -26.001 -0.055 -4.922 1.00 0.00 C ATOM 728 C VAL A 58 -24.716 0.654 -4.539 1.00 0.00 C ATOM 729 O VAL A 58 -24.708 1.856 -4.273 1.00 0.00 O ATOM 730 CB VAL A 58 -25.989 -0.333 -6.434 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.884 -1.517 -6.768 1.00 0.00 C ATOM 732 CG2 VAL A 58 -26.423 0.905 -7.196 1.00 0.00 C ATOM 0 H VAL A 58 -27.147 1.692 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 58 -26.066 -1.003 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.972 -0.585 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.862 -1.698 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.526 -2.403 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.906 -1.300 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.411 0.697 -8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -27.432 1.184 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -25.739 1.725 -6.978 1.00 0.00 H new ATOM 742 N TRP A 59 -23.630 -0.096 -4.527 1.00 0.00 N ATOM 743 CA TRP A 59 -22.337 0.443 -4.152 1.00 0.00 C ATOM 744 C TRP A 59 -21.352 0.401 -5.314 1.00 0.00 C ATOM 745 O TRP A 59 -20.992 -0.673 -5.797 1.00 0.00 O ATOM 746 CB TRP A 59 -21.774 -0.361 -2.988 1.00 0.00 C ATOM 747 CG TRP A 59 -22.314 0.036 -1.651 1.00 0.00 C ATOM 748 CD1 TRP A 59 -23.142 -0.699 -0.852 1.00 0.00 C ATOM 749 CD2 TRP A 59 -22.012 1.231 -0.926 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.384 -0.026 0.323 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.707 1.166 0.295 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.231 2.357 -1.199 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.637 2.179 1.244 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.165 3.367 -0.257 1.00 0.00 C ATOM 755 CH2 TRP A 59 -21.862 3.273 0.949 1.00 0.00 C ATOM 0 H TRP A 59 -23.618 -1.086 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.477 1.485 -3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.986 -1.417 -3.154 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.690 -0.252 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.548 -1.667 -1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.970 -0.359 1.089 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.688 2.437 -2.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.173 2.108 2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.565 4.242 -0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.790 4.078 1.665 1.00 0.00 H new ATOM 766 N ASN A 60 -20.891 1.572 -5.736 1.00 0.00 N ATOM 767 CA ASN A 60 -19.900 1.663 -6.800 1.00 0.00 C ATOM 768 C ASN A 60 -18.547 1.199 -6.278 1.00 0.00 C ATOM 769 O ASN A 60 -18.376 1.068 -5.070 1.00 0.00 O ATOM 770 CB ASN A 60 -19.806 3.091 -7.318 1.00 0.00 C ATOM 771 CG ASN A 60 -20.756 3.352 -8.470 1.00 0.00 C ATOM 772 OD1 ASN A 60 -20.391 3.983 -9.463 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.983 2.858 -8.349 1.00 0.00 N ATOM 0 H ASN A 60 -21.188 2.471 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 60 -20.204 1.020 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.025 3.784 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.784 3.291 -7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.664 2.995 -9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.244 2.341 -7.509 1.00 0.00 H new ATOM 780 N PRO A 61 -17.589 0.931 -7.191 1.00 0.00 N ATOM 781 CA PRO A 61 -16.246 0.446 -6.897 1.00 0.00 C ATOM 782 C PRO A 61 -15.810 0.596 -5.443 1.00 0.00 C ATOM 783 O PRO A 61 -15.325 1.645 -5.028 1.00 0.00 O ATOM 784 CB PRO A 61 -15.412 1.306 -7.838 1.00 0.00 C ATOM 785 CG PRO A 61 -16.324 1.618 -8.999 1.00 0.00 C ATOM 786 CD PRO A 61 -17.707 1.119 -8.632 1.00 0.00 C ATOM 0 HA PRO A 61 -16.151 -0.630 -7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.076 2.218 -7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.519 0.776 -8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.342 2.690 -9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -15.969 1.132 -9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.482 1.841 -8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.955 0.190 -9.146 1.00 0.00 H new ATOM 794 N GLU A 62 -15.923 -0.502 -4.696 1.00 0.00 N ATOM 795 CA GLU A 62 -15.619 -0.502 -3.270 1.00 0.00 C ATOM 796 C GLU A 62 -14.232 -1.048 -2.939 1.00 0.00 C ATOM 797 O GLU A 62 -13.401 -0.326 -2.411 1.00 0.00 O ATOM 798 CB GLU A 62 -16.668 -1.322 -2.514 1.00 0.00 C ATOM 799 CG GLU A 62 -18.059 -1.276 -3.130 1.00 0.00 C ATOM 800 CD GLU A 62 -19.057 -2.135 -2.379 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.950 -2.223 -1.137 1.00 0.00 O ATOM 802 OE2 GLU A 62 -19.946 -2.721 -3.032 1.00 0.00 O ATOM 0 H GLU A 62 -16.225 -1.406 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.636 0.542 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.338 -2.360 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.725 -0.960 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.412 -0.245 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.005 -1.610 -4.166 1.00 0.00 H new ATOM 809 N ALA A 63 -14.030 -2.347 -3.142 1.00 0.00 N ATOM 810 CA ALA A 63 -12.795 -3.010 -2.747 1.00 0.00 C ATOM 811 C ALA A 63 -11.856 -3.258 -3.924 1.00 0.00 C ATOM 812 O ALA A 63 -11.726 -4.385 -4.402 1.00 0.00 O ATOM 813 CB ALA A 63 -13.111 -4.324 -2.049 1.00 0.00 C ATOM 0 H ALA A 63 -14.713 -2.964 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.278 -2.339 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.182 -4.813 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.713 -4.129 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.665 -4.973 -2.728 1.00 0.00 H new ATOM 819 N PRO A 64 -11.151 -2.211 -4.370 1.00 0.00 N ATOM 820 CA PRO A 64 -10.134 -2.313 -5.429 1.00 0.00 C ATOM 821 C PRO A 64 -9.060 -3.345 -5.080 1.00 0.00 C ATOM 822 O PRO A 64 -9.305 -4.261 -4.295 1.00 0.00 O ATOM 823 CB PRO A 64 -9.540 -0.898 -5.460 1.00 0.00 C ATOM 824 CG PRO A 64 -9.853 -0.359 -4.117 1.00 0.00 C ATOM 825 CD PRO A 64 -11.212 -0.853 -3.818 1.00 0.00 C ATOM 0 HA PRO A 64 -10.544 -2.639 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.466 -0.918 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.987 -0.293 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.134 -0.706 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.818 0.730 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.424 -0.853 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.983 -0.249 -4.296 1.00 0.00 H new ATOM 833 N ILE A 65 -7.863 -3.179 -5.637 1.00 0.00 N ATOM 834 CA ILE A 65 -6.764 -4.099 -5.368 1.00 0.00 C ATOM 835 C ILE A 65 -5.892 -3.604 -4.220 1.00 0.00 C ATOM 836 O ILE A 65 -5.956 -2.437 -3.831 1.00 0.00 O ATOM 837 CB ILE A 65 -5.873 -4.299 -6.605 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.717 -4.316 -7.879 1.00 0.00 C ATOM 839 CG2 ILE A 65 -5.070 -5.580 -6.479 1.00 0.00 C ATOM 840 CD1 ILE A 65 -7.559 -5.564 -8.032 1.00 0.00 C ATOM 0 H ILE A 65 -7.631 -2.418 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.222 -5.050 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.178 -3.462 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.371 -3.444 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.058 -4.224 -8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.445 -5.706 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.438 -5.528 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.749 -6.428 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -8.131 -5.506 -8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.910 -6.439 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.243 -5.647 -7.188 1.00 0.00 H new ATOM 852 N CYS A 66 -5.060 -4.499 -3.702 1.00 0.00 N ATOM 853 CA CYS A 66 -4.152 -4.172 -2.610 1.00 0.00 C ATOM 854 C CYS A 66 -3.077 -5.245 -2.464 1.00 0.00 C ATOM 855 O CYS A 66 -3.371 -6.439 -2.508 1.00 0.00 O ATOM 856 CB CYS A 66 -4.925 -4.033 -1.298 1.00 0.00 C ATOM 857 SG CYS A 66 -5.235 -2.311 -0.792 1.00 0.00 S ATOM 0 H CYS A 66 -4.996 -5.465 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.671 -3.222 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.880 -4.549 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.370 -4.538 -0.507 1.00 0.00 H new ATOM 862 N GLU A 67 -1.832 -4.813 -2.295 1.00 0.00 N ATOM 863 CA GLU A 67 -0.715 -5.740 -2.148 1.00 0.00 C ATOM 864 C GLU A 67 0.424 -5.103 -1.360 1.00 0.00 C ATOM 865 O GLU A 67 0.364 -3.927 -1.005 1.00 0.00 O ATOM 866 CB GLU A 67 -0.209 -6.181 -3.523 1.00 0.00 C ATOM 867 CG GLU A 67 0.009 -7.680 -3.640 1.00 0.00 C ATOM 868 CD GLU A 67 1.158 -8.032 -4.564 1.00 0.00 C ATOM 869 OE1 GLU A 67 1.073 -9.074 -5.248 1.00 0.00 O ATOM 870 OE2 GLU A 67 2.144 -7.266 -4.603 1.00 0.00 O ATOM 0 H GLU A 67 -1.571 -3.828 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.071 -6.611 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.925 -5.866 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.729 -5.668 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.204 -8.093 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.904 -8.149 -4.007 1.00 0.00 H new ATOM 877 N SER A 68 1.465 -5.886 -1.097 1.00 0.00 N ATOM 878 CA SER A 68 2.621 -5.398 -0.353 1.00 0.00 C ATOM 879 C SER A 68 3.615 -4.703 -1.275 1.00 0.00 C ATOM 880 O SER A 68 4.094 -5.287 -2.247 1.00 0.00 O ATOM 881 CB SER A 68 3.306 -6.553 0.381 1.00 0.00 C ATOM 882 OG SER A 68 4.102 -7.319 -0.504 1.00 0.00 O ATOM 0 H SER A 68 1.532 -6.861 -1.388 1.00 0.00 H new ATOM 0 HA SER A 68 2.267 -4.670 0.378 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.927 -6.159 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.553 -7.192 0.843 1.00 0.00 H new ATOM 0 HG SER A 68 4.178 -6.852 -1.362 1.00 0.00 H new ATOM 888 N VAL A 69 3.919 -3.452 -0.955 1.00 0.00 N ATOM 889 CA VAL A 69 4.855 -2.661 -1.743 1.00 0.00 C ATOM 890 C VAL A 69 6.203 -3.365 -1.871 1.00 0.00 C ATOM 891 O VAL A 69 7.055 -3.262 -0.989 1.00 0.00 O ATOM 892 CB VAL A 69 5.077 -1.273 -1.121 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.180 -1.383 0.388 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.964 -0.318 -1.517 1.00 0.00 C ATOM 0 H VAL A 69 3.529 -2.961 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 69 4.413 -2.545 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 69 6.015 -0.871 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.337 -0.393 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.258 -1.808 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.019 -2.028 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.143 0.657 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.941 -0.216 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.008 -0.709 -1.169 1.00 0.00 H new ATOM 904 N LYS A 70 6.392 -4.070 -2.980 1.00 0.00 N ATOM 905 CA LYS A 70 7.632 -4.800 -3.223 1.00 0.00 C ATOM 906 C LYS A 70 8.757 -3.864 -3.657 1.00 0.00 C ATOM 907 O LYS A 70 8.631 -3.143 -4.646 1.00 0.00 O ATOM 908 CB LYS A 70 7.411 -5.869 -4.294 1.00 0.00 C ATOM 909 CG LYS A 70 7.164 -7.257 -3.728 1.00 0.00 C ATOM 910 CD LYS A 70 8.342 -8.182 -3.988 1.00 0.00 C ATOM 911 CE LYS A 70 8.221 -9.470 -3.192 1.00 0.00 C ATOM 912 NZ LYS A 70 9.552 -9.997 -2.780 1.00 0.00 N ATOM 0 H LYS A 70 5.702 -4.152 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 70 7.926 -5.274 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.560 -5.581 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.283 -5.902 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.985 -7.187 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.264 -7.678 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.397 -8.414 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.270 -7.675 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.611 -9.293 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.704 -10.219 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.422 -10.786 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.067 -10.332 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.097 -9.241 -2.318 1.00 0.00 H new ATOM 926 N CYS A 71 9.865 -3.899 -2.921 1.00 0.00 N ATOM 927 CA CYS A 71 11.033 -3.083 -3.247 1.00 0.00 C ATOM 928 C CYS A 71 12.115 -3.951 -3.870 1.00 0.00 C ATOM 929 O CYS A 71 12.506 -4.971 -3.308 1.00 0.00 O ATOM 930 CB CYS A 71 11.599 -2.368 -2.006 1.00 0.00 C ATOM 931 SG CYS A 71 10.602 -2.518 -0.482 1.00 0.00 S ATOM 0 H CYS A 71 9.979 -4.484 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 71 10.712 -2.321 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.596 -2.761 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.714 -1.310 -2.240 1.00 0.00 H new ATOM 936 N GLN A 72 12.580 -3.554 -5.045 1.00 0.00 N ATOM 937 CA GLN A 72 13.611 -4.294 -5.743 1.00 0.00 C ATOM 938 C GLN A 72 14.970 -4.044 -5.093 1.00 0.00 C ATOM 939 O GLN A 72 15.048 -3.780 -3.893 1.00 0.00 O ATOM 940 CB GLN A 72 13.611 -3.872 -7.208 1.00 0.00 C ATOM 941 CG GLN A 72 14.047 -2.437 -7.402 1.00 0.00 C ATOM 942 CD GLN A 72 13.801 -1.931 -8.809 1.00 0.00 C ATOM 943 OE1 GLN A 72 14.702 -1.931 -9.648 1.00 0.00 O ATOM 944 NE2 GLN A 72 12.574 -1.496 -9.072 1.00 0.00 N ATOM 0 H GLN A 72 12.256 -2.720 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 72 13.411 -5.364 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.275 -4.528 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.610 -4.002 -7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.514 -1.802 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.109 -2.351 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.859 -1.515 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.346 -1.143 -10.001 1.00 0.00 H new ATOM 953 N SER A 73 16.037 -4.131 -5.876 1.00 0.00 N ATOM 954 CA SER A 73 17.379 -3.920 -5.354 1.00 0.00 C ATOM 955 C SER A 73 17.487 -2.563 -4.663 1.00 0.00 C ATOM 956 O SER A 73 16.958 -1.566 -5.153 1.00 0.00 O ATOM 957 CB SER A 73 18.406 -4.014 -6.483 1.00 0.00 C ATOM 958 OG SER A 73 19.597 -3.322 -6.149 1.00 0.00 O ATOM 0 H SER A 73 15.999 -4.346 -6.872 1.00 0.00 H new ATOM 0 HA SER A 73 17.584 -4.698 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.634 -5.061 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.984 -3.598 -7.398 1.00 0.00 H new ATOM 0 HG SER A 73 20.372 -3.840 -6.451 1.00 0.00 H new ATOM 964 N PRO A 74 18.177 -2.504 -3.510 1.00 0.00 N ATOM 965 CA PRO A 74 18.347 -1.256 -2.760 1.00 0.00 C ATOM 966 C PRO A 74 19.052 -0.181 -3.586 1.00 0.00 C ATOM 967 O PRO A 74 19.696 -0.481 -4.591 1.00 0.00 O ATOM 968 CB PRO A 74 19.206 -1.659 -1.555 1.00 0.00 C ATOM 969 CG PRO A 74 19.076 -3.142 -1.455 1.00 0.00 C ATOM 970 CD PRO A 74 18.842 -3.641 -2.851 1.00 0.00 C ATOM 0 HA PRO A 74 17.388 -0.821 -2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.246 -1.364 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.858 -1.172 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.978 -3.583 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.249 -3.416 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.777 -3.903 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.216 -4.533 -2.860 1.00 0.00 H new ATOM 978 N PRO A 75 18.929 1.094 -3.175 1.00 0.00 N ATOM 979 CA PRO A 75 19.538 2.215 -3.886 1.00 0.00 C ATOM 980 C PRO A 75 20.963 1.924 -4.336 1.00 0.00 C ATOM 981 O PRO A 75 21.639 1.057 -3.783 1.00 0.00 O ATOM 982 CB PRO A 75 19.534 3.331 -2.846 1.00 0.00 C ATOM 983 CG PRO A 75 18.372 3.032 -1.962 1.00 0.00 C ATOM 984 CD PRO A 75 18.170 1.538 -1.993 1.00 0.00 C ATOM 0 HA PRO A 75 18.996 2.453 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.466 3.347 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.430 4.309 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.562 3.375 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.478 3.550 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.540 1.067 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.114 1.281 -2.078 1.00 0.00 H new ATOM 992 N SER A 76 21.416 2.669 -5.337 1.00 0.00 N ATOM 993 CA SER A 76 22.769 2.523 -5.850 1.00 0.00 C ATOM 994 C SER A 76 23.590 3.766 -5.532 1.00 0.00 C ATOM 995 O SER A 76 23.628 4.714 -6.317 1.00 0.00 O ATOM 996 CB SER A 76 22.746 2.283 -7.361 1.00 0.00 C ATOM 997 OG SER A 76 22.301 3.436 -8.054 1.00 0.00 O ATOM 0 H SER A 76 20.862 3.383 -5.810 1.00 0.00 H new ATOM 0 HA SER A 76 23.230 1.661 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.744 2.011 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.091 1.442 -7.589 1.00 0.00 H new ATOM 0 HG SER A 76 22.631 4.239 -7.599 1.00 0.00 H new ATOM 1003 N ILE A 77 24.237 3.759 -4.373 1.00 0.00 N ATOM 1004 CA ILE A 77 25.035 4.899 -3.940 1.00 0.00 C ATOM 1005 C ILE A 77 26.282 5.055 -4.797 1.00 0.00 C ATOM 1006 O ILE A 77 26.635 4.165 -5.571 1.00 0.00 O ATOM 1007 CB ILE A 77 25.458 4.769 -2.465 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.368 3.554 -2.270 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.234 4.673 -1.572 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.186 3.611 -0.999 1.00 0.00 C ATOM 0 H ILE A 77 24.225 2.978 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 77 24.404 5.781 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 77 26.019 5.661 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.758 2.651 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.042 3.474 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.548 4.582 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 77 23.626 5.570 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.647 3.798 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 77 27.807 2.718 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 77 27.822 4.496 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 77 26.519 3.660 -0.139 1.00 0.00 H new ATOM 1022 N SER A 78 26.943 6.196 -4.654 1.00 0.00 N ATOM 1023 CA SER A 78 28.155 6.474 -5.410 1.00 0.00 C ATOM 1024 C SER A 78 29.378 5.919 -4.696 1.00 0.00 C ATOM 1025 O SER A 78 29.536 6.088 -3.487 1.00 0.00 O ATOM 1026 CB SER A 78 28.317 7.978 -5.629 1.00 0.00 C ATOM 1027 OG SER A 78 27.798 8.713 -4.534 1.00 0.00 O ATOM 0 H SER A 78 26.659 6.944 -4.021 1.00 0.00 H new ATOM 0 HA SER A 78 28.067 5.983 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.372 8.217 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 78 27.804 8.272 -6.544 1.00 0.00 H new ATOM 0 HG SER A 78 27.916 9.672 -4.699 1.00 0.00 H new ATOM 1033 N ASN A 79 30.240 5.253 -5.453 1.00 0.00 N ATOM 1034 CA ASN A 79 31.453 4.669 -4.896 1.00 0.00 C ATOM 1035 C ASN A 79 31.109 3.518 -3.959 1.00 0.00 C ATOM 1036 O ASN A 79 31.853 3.220 -3.025 1.00 0.00 O ATOM 1037 CB ASN A 79 32.284 5.721 -4.147 1.00 0.00 C ATOM 1038 CG ASN A 79 32.032 7.135 -4.613 1.00 0.00 C ATOM 1039 OD1 ASN A 79 32.026 8.074 -3.817 1.00 0.00 O ATOM 1040 ND2 ASN A 79 31.831 7.297 -5.907 1.00 0.00 N ATOM 0 H ASN A 79 30.122 5.104 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 79 32.049 4.288 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.064 5.654 -3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.342 5.490 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 79 31.662 8.230 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 79 31.845 6.490 -6.530 1.00 0.00 H new ATOM 1047 N GLY A 80 29.981 2.868 -4.223 1.00 0.00 N ATOM 1048 CA GLY A 80 29.565 1.751 -3.396 1.00 0.00 C ATOM 1049 C GLY A 80 28.440 0.943 -4.009 1.00 0.00 C ATOM 1050 O GLY A 80 28.153 1.065 -5.200 1.00 0.00 O ATOM 0 H GLY A 80 29.350 3.093 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.420 1.098 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.247 2.126 -2.423 1.00 0.00 H new ATOM 1054 N ARG A 81 27.821 0.095 -3.194 1.00 0.00 N ATOM 1055 CA ARG A 81 26.738 -0.763 -3.656 1.00 0.00 C ATOM 1056 C ARG A 81 26.054 -1.449 -2.485 1.00 0.00 C ATOM 1057 O ARG A 81 26.362 -1.182 -1.324 1.00 0.00 O ATOM 1058 CB ARG A 81 27.274 -1.816 -4.628 1.00 0.00 C ATOM 1059 CG ARG A 81 28.600 -2.428 -4.205 1.00 0.00 C ATOM 1060 CD ARG A 81 29.497 -2.679 -5.403 1.00 0.00 C ATOM 1061 NE ARG A 81 30.397 -3.808 -5.191 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.981 -5.060 -5.027 1.00 0.00 C ATOM 1063 NH1 ARG A 81 28.685 -5.338 -5.046 1.00 0.00 N ATOM 1064 NH2 ARG A 81 30.861 -6.035 -4.842 1.00 0.00 N ATOM 0 H ARG A 81 28.053 -0.016 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 81 26.007 -0.138 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.535 -2.611 -4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 81 27.392 -1.361 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 81 29.103 -1.762 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.419 -3.366 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.881 -2.868 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 30.083 -1.783 -5.610 1.00 0.00 H new ATOM 0 HE ARG A 81 31.400 -3.627 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 81 28.005 -4.591 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 81 28.368 -6.299 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 81 31.859 -5.825 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 81 30.540 -6.995 -4.716 1.00 0.00 H new ATOM 1078 N HIS A 82 25.133 -2.346 -2.802 1.00 0.00 N ATOM 1079 CA HIS A 82 24.406 -3.086 -1.781 1.00 0.00 C ATOM 1080 C HIS A 82 24.912 -4.522 -1.684 1.00 0.00 C ATOM 1081 O HIS A 82 25.724 -4.959 -2.499 1.00 0.00 O ATOM 1082 CB HIS A 82 22.911 -3.080 -2.089 1.00 0.00 C ATOM 1083 CG HIS A 82 22.595 -3.449 -3.504 1.00 0.00 C ATOM 1084 ND1 HIS A 82 22.667 -4.743 -3.978 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.216 -2.685 -4.557 1.00 0.00 C ATOM 1086 CE1 HIS A 82 22.341 -4.759 -5.258 1.00 0.00 C ATOM 1087 NE2 HIS A 82 22.064 -3.524 -5.633 1.00 0.00 N ATOM 0 H HIS A 82 24.871 -2.580 -3.760 1.00 0.00 H new ATOM 0 HA HIS A 82 24.575 -2.596 -0.822 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.407 -3.776 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.509 -2.089 -1.881 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.931 -5.559 -3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.062 -1.616 -4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.307 -5.634 -5.890 1.00 0.00 H new ATOM 1096 N ASN A 83 24.432 -5.249 -0.680 1.00 0.00 N ATOM 1097 CA ASN A 83 24.839 -6.637 -0.479 1.00 0.00 C ATOM 1098 C ASN A 83 23.686 -7.607 -0.735 1.00 0.00 C ATOM 1099 O ASN A 83 23.847 -8.819 -0.587 1.00 0.00 O ATOM 1100 CB ASN A 83 25.361 -6.834 0.945 1.00 0.00 C ATOM 1101 CG ASN A 83 26.490 -5.886 1.287 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.022 -5.194 0.419 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.862 -5.850 2.560 1.00 0.00 N ATOM 0 H ASN A 83 23.762 -4.902 0.006 1.00 0.00 H new ATOM 0 HA ASN A 83 25.631 -6.851 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.543 -6.689 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.706 -7.861 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.618 -5.231 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.392 -6.442 3.245 1.00 0.00 H new ATOM 1165 N PHE A 88 14.166 -9.160 -4.956 1.00 0.00 N ATOM 1166 CA PHE A 88 13.131 -8.261 -4.471 1.00 0.00 C ATOM 1167 C PHE A 88 13.072 -8.247 -2.948 1.00 0.00 C ATOM 1168 O PHE A 88 13.708 -9.062 -2.280 1.00 0.00 O ATOM 1169 CB PHE A 88 11.775 -8.668 -5.043 1.00 0.00 C ATOM 1170 CG PHE A 88 11.401 -7.905 -6.276 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.572 -6.802 -6.191 1.00 0.00 C ATOM 1172 CD2 PHE A 88 11.888 -8.283 -7.515 1.00 0.00 C ATOM 1173 CE1 PHE A 88 10.228 -6.091 -7.321 1.00 0.00 C ATOM 1174 CE2 PHE A 88 11.549 -7.576 -8.650 1.00 0.00 C ATOM 1175 CZ PHE A 88 10.717 -6.477 -8.554 1.00 0.00 C ATOM 0 HA PHE A 88 13.378 -7.254 -4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.790 -9.733 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.008 -8.517 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.190 -6.494 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.540 -9.140 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.577 -5.233 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.933 -7.881 -9.612 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.450 -5.921 -9.441 1.00 0.00 H new ATOM 1185 N TYR A 89 12.305 -7.305 -2.411 1.00 0.00 N ATOM 1186 CA TYR A 89 12.155 -7.158 -0.969 1.00 0.00 C ATOM 1187 C TYR A 89 10.771 -6.615 -0.631 1.00 0.00 C ATOM 1188 O TYR A 89 10.056 -6.129 -1.507 1.00 0.00 O ATOM 1189 CB TYR A 89 13.235 -6.222 -0.420 1.00 0.00 C ATOM 1190 CG TYR A 89 14.645 -6.678 -0.724 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.416 -7.295 0.252 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.204 -6.495 -1.984 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.705 -7.715 -0.017 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.493 -6.909 -2.260 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.239 -7.519 -1.273 1.00 0.00 C ATOM 1196 OH TYR A 89 18.521 -7.937 -1.544 1.00 0.00 O ATOM 0 H TYR A 89 11.774 -6.627 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 89 12.267 -8.138 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.087 -5.226 -0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.115 -6.137 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.002 -7.449 1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.621 -6.021 -2.760 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.291 -8.194 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.914 -6.756 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 89 18.744 -7.725 -2.474 1.00 0.00 H new ATOM 1206 N THR A 90 10.393 -6.699 0.641 1.00 0.00 N ATOM 1207 CA THR A 90 9.085 -6.222 1.076 1.00 0.00 C ATOM 1208 C THR A 90 9.207 -5.230 2.227 1.00 0.00 C ATOM 1209 O THR A 90 10.309 -4.895 2.660 1.00 0.00 O ATOM 1210 CB THR A 90 8.205 -7.399 1.496 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.963 -8.365 2.203 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.547 -8.094 0.327 1.00 0.00 C ATOM 0 H THR A 90 10.971 -7.091 1.385 1.00 0.00 H new ATOM 0 HA THR A 90 8.623 -5.708 0.233 1.00 0.00 H new ATOM 0 HB THR A 90 7.428 -6.971 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.382 -9.109 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.936 -8.920 0.692 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.916 -7.385 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.313 -8.479 -0.346 1.00 0.00 H new ATOM 1220 N ASP A 91 8.062 -4.760 2.712 1.00 0.00 N ATOM 1221 CA ASP A 91 8.026 -3.805 3.808 1.00 0.00 C ATOM 1222 C ASP A 91 8.522 -4.438 5.095 1.00 0.00 C ATOM 1223 O ASP A 91 7.775 -5.109 5.808 1.00 0.00 O ATOM 1224 CB ASP A 91 6.611 -3.264 4.004 1.00 0.00 C ATOM 1225 CG ASP A 91 5.606 -4.362 4.294 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.130 -4.442 5.445 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.297 -5.142 3.369 1.00 0.00 O ATOM 0 H ASP A 91 7.143 -5.028 2.359 1.00 0.00 H new ATOM 0 HA ASP A 91 8.687 -2.977 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.610 -2.548 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.305 -2.723 3.109 1.00 0.00 H new ATOM 1232 N GLY A 92 9.794 -4.220 5.376 1.00 0.00 N ATOM 1233 CA GLY A 92 10.393 -4.750 6.584 1.00 0.00 C ATOM 1234 C GLY A 92 11.644 -5.568 6.318 1.00 0.00 C ATOM 1235 O GLY A 92 12.016 -6.419 7.125 1.00 0.00 O ATOM 0 H GLY A 92 10.429 -3.682 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.641 -3.925 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.663 -5.372 7.102 1.00 0.00 H new ATOM 1239 N SER A 93 12.298 -5.309 5.189 1.00 0.00 N ATOM 1240 CA SER A 93 13.521 -6.022 4.838 1.00 0.00 C ATOM 1241 C SER A 93 14.735 -5.123 5.033 1.00 0.00 C ATOM 1242 O SER A 93 14.610 -3.899 5.069 1.00 0.00 O ATOM 1243 CB SER A 93 13.455 -6.509 3.389 1.00 0.00 C ATOM 1244 OG SER A 93 12.114 -6.711 2.978 1.00 0.00 O ATOM 0 H SER A 93 12.002 -4.613 4.504 1.00 0.00 H new ATOM 0 HA SER A 93 13.617 -6.886 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.933 -5.779 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.013 -7.440 3.289 1.00 0.00 H new ATOM 0 HG SER A 93 11.751 -5.873 2.622 1.00 0.00 H new ATOM 1250 N VAL A 94 15.910 -5.728 5.169 1.00 0.00 N ATOM 1251 CA VAL A 94 17.131 -4.962 5.368 1.00 0.00 C ATOM 1252 C VAL A 94 18.248 -5.442 4.448 1.00 0.00 C ATOM 1253 O VAL A 94 18.255 -6.586 3.994 1.00 0.00 O ATOM 1254 CB VAL A 94 17.610 -5.030 6.833 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.545 -4.470 7.761 1.00 0.00 C ATOM 1256 CG2 VAL A 94 18.925 -4.282 7.011 1.00 0.00 C ATOM 0 H VAL A 94 16.041 -6.739 5.145 1.00 0.00 H new ATOM 0 HA VAL A 94 16.893 -3.927 5.123 1.00 0.00 H new ATOM 0 HB VAL A 94 17.781 -6.075 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 94 16.896 -4.524 8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.345 -3.431 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.630 -5.053 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.241 -4.345 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.687 -4.729 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.789 -3.236 6.736 1.00 0.00 H new ATOM 1266 N VAL A 95 19.194 -4.549 4.191 1.00 0.00 N ATOM 1267 CA VAL A 95 20.340 -4.855 3.347 1.00 0.00 C ATOM 1268 C VAL A 95 21.540 -4.021 3.763 1.00 0.00 C ATOM 1269 O VAL A 95 21.391 -2.900 4.247 1.00 0.00 O ATOM 1270 CB VAL A 95 20.043 -4.582 1.862 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.182 -5.075 0.984 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.732 -5.226 1.450 1.00 0.00 C ATOM 0 H VAL A 95 19.189 -3.598 4.559 1.00 0.00 H new ATOM 0 HA VAL A 95 20.556 -5.916 3.473 1.00 0.00 H new ATOM 0 HB VAL A 95 19.952 -3.504 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.950 -4.871 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.102 -4.559 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.311 -6.148 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.541 -5.021 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.791 -6.303 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.921 -4.817 2.052 1.00 0.00 H new ATOM 1282 N THR A 96 22.730 -4.570 3.574 1.00 0.00 N ATOM 1283 CA THR A 96 23.947 -3.859 3.919 1.00 0.00 C ATOM 1284 C THR A 96 24.624 -3.322 2.669 1.00 0.00 C ATOM 1285 O THR A 96 24.657 -3.983 1.632 1.00 0.00 O ATOM 1286 CB THR A 96 24.905 -4.767 4.690 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.516 -6.124 4.569 1.00 0.00 O ATOM 1288 CG2 THR A 96 24.981 -4.438 6.165 1.00 0.00 C ATOM 0 H THR A 96 22.877 -5.502 3.185 1.00 0.00 H new ATOM 0 HA THR A 96 23.678 -3.018 4.559 1.00 0.00 H new ATOM 0 HB THR A 96 25.886 -4.598 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 96 25.142 -6.689 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.678 -5.119 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.327 -3.412 6.292 1.00 0.00 H new ATOM 0 HG23 THR A 96 23.993 -4.546 6.613 1.00 0.00 H new ATOM 1296 N TYR A 97 25.137 -2.108 2.769 1.00 0.00 N ATOM 1297 CA TYR A 97 25.802 -1.467 1.648 1.00 0.00 C ATOM 1298 C TYR A 97 27.309 -1.665 1.728 1.00 0.00 C ATOM 1299 O TYR A 97 27.852 -1.957 2.793 1.00 0.00 O ATOM 1300 CB TYR A 97 25.457 0.019 1.624 1.00 0.00 C ATOM 1301 CG TYR A 97 24.219 0.336 0.822 1.00 0.00 C ATOM 1302 CD1 TYR A 97 23.072 -0.434 0.952 1.00 0.00 C ATOM 1303 CD2 TYR A 97 24.195 1.408 -0.058 1.00 0.00 C ATOM 1304 CE1 TYR A 97 21.935 -0.148 0.224 1.00 0.00 C ATOM 1305 CE2 TYR A 97 23.060 1.705 -0.787 1.00 0.00 C ATOM 1306 CZ TYR A 97 21.933 0.923 -0.644 1.00 0.00 C ATOM 1307 OH TYR A 97 20.801 1.215 -1.367 1.00 0.00 O ATOM 0 H TYR A 97 25.105 -1.545 3.619 1.00 0.00 H new ATOM 0 HA TYR A 97 25.452 -1.927 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.317 0.368 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.300 0.573 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.069 -1.271 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 97 25.077 2.020 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 97 21.052 -0.760 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 97 23.055 2.545 -1.465 1.00 0.00 H new ATOM 0 HH TYR A 97 20.897 0.869 -2.279 1.00 0.00 H new ATOM 1317 N SER A 98 27.978 -1.530 0.591 1.00 0.00 N ATOM 1318 CA SER A 98 29.424 -1.725 0.539 1.00 0.00 C ATOM 1319 C SER A 98 30.076 -0.827 -0.508 1.00 0.00 C ATOM 1320 O SER A 98 29.626 -0.763 -1.650 1.00 0.00 O ATOM 1321 CB SER A 98 29.741 -3.194 0.236 1.00 0.00 C ATOM 1322 OG SER A 98 29.986 -3.399 -1.146 1.00 0.00 O ATOM 0 H SER A 98 27.549 -1.288 -0.302 1.00 0.00 H new ATOM 0 HA SER A 98 29.833 -1.454 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.613 -3.505 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.908 -3.820 0.556 1.00 0.00 H new ATOM 0 HG SER A 98 30.187 -4.345 -1.306 1.00 0.00 H new ATOM 1328 N CYS A 99 31.163 -0.165 -0.120 1.00 0.00 N ATOM 1329 CA CYS A 99 31.895 0.697 -1.038 1.00 0.00 C ATOM 1330 C CYS A 99 32.614 -0.137 -2.094 1.00 0.00 C ATOM 1331 O CYS A 99 32.833 -1.333 -1.907 1.00 0.00 O ATOM 1332 CB CYS A 99 32.905 1.550 -0.273 1.00 0.00 C ATOM 1333 SG CYS A 99 32.150 2.724 0.898 1.00 0.00 S ATOM 0 H CYS A 99 31.554 -0.210 0.821 1.00 0.00 H new ATOM 0 HA CYS A 99 31.181 1.354 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.580 0.892 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.511 2.106 -0.988 1.00 0.00 H new ATOM 1338 N ASN A 100 32.977 0.496 -3.205 1.00 0.00 N ATOM 1339 CA ASN A 100 33.680 -0.203 -4.279 1.00 0.00 C ATOM 1340 C ASN A 100 35.185 0.027 -4.187 1.00 0.00 C ATOM 1341 O ASN A 100 35.910 -0.775 -3.598 1.00 0.00 O ATOM 1342 CB ASN A 100 33.168 0.232 -5.660 1.00 0.00 C ATOM 1343 CG ASN A 100 32.646 1.656 -5.693 1.00 0.00 C ATOM 1344 OD1 ASN A 100 33.286 2.575 -5.182 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.483 1.844 -6.308 1.00 0.00 N ATOM 0 H ASN A 100 32.799 1.484 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 100 33.479 -1.267 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.976 0.133 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.373 -0.445 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 100 31.085 2.781 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 100 30.988 1.051 -6.717 1.00 0.00 H new ATOM 1352 N SER A 101 35.648 1.131 -4.766 1.00 0.00 N ATOM 1353 CA SER A 101 37.071 1.468 -4.762 1.00 0.00 C ATOM 1354 C SER A 101 37.702 1.232 -3.391 1.00 0.00 C ATOM 1355 O SER A 101 38.894 0.943 -3.288 1.00 0.00 O ATOM 1356 CB SER A 101 37.266 2.926 -5.180 1.00 0.00 C ATOM 1357 OG SER A 101 38.241 3.038 -6.202 1.00 0.00 O ATOM 0 H SER A 101 35.058 1.810 -5.246 1.00 0.00 H new ATOM 0 HA SER A 101 37.569 0.814 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.319 3.337 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 101 37.570 3.517 -4.316 1.00 0.00 H new ATOM 0 HG SER A 101 38.346 3.980 -6.453 1.00 0.00 H new ATOM 1363 N GLY A 102 36.896 1.357 -2.341 1.00 0.00 N ATOM 1364 CA GLY A 102 37.396 1.146 -0.994 1.00 0.00 C ATOM 1365 C GLY A 102 37.103 2.313 -0.071 1.00 0.00 C ATOM 1366 O GLY A 102 37.910 2.645 0.797 1.00 0.00 O ATOM 0 H GLY A 102 35.907 1.600 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.948 0.241 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.473 0.980 -1.032 1.00 0.00 H new ATOM 1370 N TYR A 103 35.941 2.930 -0.253 1.00 0.00 N ATOM 1371 CA TYR A 103 35.537 4.062 0.564 1.00 0.00 C ATOM 1372 C TYR A 103 35.047 3.599 1.932 1.00 0.00 C ATOM 1373 O TYR A 103 35.137 2.419 2.269 1.00 0.00 O ATOM 1374 CB TYR A 103 34.436 4.847 -0.152 1.00 0.00 C ATOM 1375 CG TYR A 103 34.960 5.761 -1.237 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.063 5.324 -2.551 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.365 7.058 -0.944 1.00 0.00 C ATOM 1378 CE1 TYR A 103 35.548 6.155 -3.544 1.00 0.00 C ATOM 1379 CE2 TYR A 103 35.847 7.895 -1.932 1.00 0.00 C ATOM 1380 CZ TYR A 103 35.937 7.439 -3.230 1.00 0.00 C ATOM 1381 OH TYR A 103 36.419 8.270 -4.216 1.00 0.00 O ATOM 0 H TYR A 103 35.261 2.661 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 103 36.402 4.708 0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 103 33.726 4.146 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 103 33.888 5.441 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 103 34.759 4.318 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 103 35.302 7.417 0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 103 35.622 5.799 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 103 36.152 8.902 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 103 36.647 9.140 -3.828 1.00 0.00 H new ATOM 1391 N SER A 104 34.535 4.539 2.716 1.00 0.00 N ATOM 1392 CA SER A 104 34.028 4.236 4.047 1.00 0.00 C ATOM 1393 C SER A 104 32.518 4.434 4.109 1.00 0.00 C ATOM 1394 O SER A 104 32.030 5.563 4.106 1.00 0.00 O ATOM 1395 CB SER A 104 34.714 5.119 5.092 1.00 0.00 C ATOM 1396 OG SER A 104 35.951 5.615 4.610 1.00 0.00 O ATOM 0 H SER A 104 34.460 5.521 2.451 1.00 0.00 H new ATOM 0 HA SER A 104 34.250 3.191 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 104 34.062 5.952 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 104 34.879 4.546 6.004 1.00 0.00 H new ATOM 0 HG SER A 104 35.803 6.462 4.139 1.00 0.00 H new ATOM 1402 N LEU A 105 31.788 3.326 4.167 1.00 0.00 N ATOM 1403 CA LEU A 105 30.332 3.353 4.234 1.00 0.00 C ATOM 1404 C LEU A 105 29.843 4.386 5.244 1.00 0.00 C ATOM 1405 O LEU A 105 30.114 4.283 6.440 1.00 0.00 O ATOM 1406 CB LEU A 105 29.805 1.967 4.603 1.00 0.00 C ATOM 1407 CG LEU A 105 28.882 1.328 3.565 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.554 1.282 2.201 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.568 2.085 3.491 1.00 0.00 C ATOM 0 H LEU A 105 32.187 2.387 4.169 1.00 0.00 H new ATOM 0 HA LEU A 105 29.951 3.637 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 105 30.654 1.304 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.268 2.039 5.549 1.00 0.00 H new ATOM 0 HG LEU A 105 28.674 0.303 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.879 0.823 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.795 2.295 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.470 0.694 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 105 26.921 1.619 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.079 2.061 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.760 3.120 3.207 1.00 0.00 H new ATOM 1421 N ILE A 106 29.122 5.381 4.746 1.00 0.00 N ATOM 1422 CA ILE A 106 28.596 6.445 5.581 1.00 0.00 C ATOM 1423 C ILE A 106 27.096 6.290 5.778 1.00 0.00 C ATOM 1424 O ILE A 106 26.415 5.696 4.950 1.00 0.00 O ATOM 1425 CB ILE A 106 28.871 7.815 4.950 1.00 0.00 C ATOM 1426 CG1 ILE A 106 30.362 7.978 4.671 1.00 0.00 C ATOM 1427 CG2 ILE A 106 28.367 8.922 5.854 1.00 0.00 C ATOM 1428 CD1 ILE A 106 31.227 7.815 5.900 1.00 0.00 C ATOM 0 H ILE A 106 28.888 5.471 3.757 1.00 0.00 H new ATOM 0 HA ILE A 106 29.097 6.379 6.547 1.00 0.00 H new ATOM 0 HB ILE A 106 28.336 7.880 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 106 30.666 7.246 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 106 30.537 8.964 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.569 9.889 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 106 27.293 8.809 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.876 8.866 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 106 32.274 7.944 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 106 30.950 8.564 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 106 31.081 6.819 6.318 1.00 0.00 H new ATOM 1440 N GLY A 107 26.581 6.845 6.865 1.00 0.00 N ATOM 1441 CA GLY A 107 25.158 6.750 7.132 1.00 0.00 C ATOM 1442 C GLY A 107 24.697 5.321 7.268 1.00 0.00 C ATOM 1443 O GLY A 107 23.620 4.956 6.803 1.00 0.00 O ATOM 0 H GLY A 107 27.118 7.357 7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 107 24.925 7.294 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.606 7.233 6.326 1.00 0.00 H new ATOM 1447 N ASN A 108 25.552 4.528 7.883 1.00 0.00 N ATOM 1448 CA ASN A 108 25.310 3.106 8.129 1.00 0.00 C ATOM 1449 C ASN A 108 24.896 2.357 6.866 1.00 0.00 C ATOM 1450 O ASN A 108 23.873 2.648 6.249 1.00 0.00 O ATOM 1451 CB ASN A 108 24.271 2.917 9.231 1.00 0.00 C ATOM 1452 CG ASN A 108 22.908 3.467 8.865 1.00 0.00 C ATOM 1453 OD1 ASN A 108 22.061 2.754 8.328 1.00 0.00 O ATOM 1454 ND2 ASN A 108 22.692 4.746 9.150 1.00 0.00 N ATOM 0 H ASN A 108 26.453 4.852 8.235 1.00 0.00 H new ATOM 0 HA ASN A 108 26.256 2.677 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.179 1.855 9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.621 3.406 10.140 1.00 0.00 H new ATOM 0 HD21 ASN A 108 21.795 5.175 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 108 23.423 5.300 9.596 1.00 0.00 H new ATOM 1461 N SER A 109 25.698 1.362 6.513 1.00 0.00 N ATOM 1462 CA SER A 109 25.450 0.542 5.338 1.00 0.00 C ATOM 1463 C SER A 109 24.049 -0.062 5.369 1.00 0.00 C ATOM 1464 O SER A 109 23.462 -0.355 4.327 1.00 0.00 O ATOM 1465 CB SER A 109 26.500 -0.567 5.255 1.00 0.00 C ATOM 1466 OG SER A 109 26.030 -1.772 5.839 1.00 0.00 O ATOM 0 H SER A 109 26.536 1.102 7.032 1.00 0.00 H new ATOM 0 HA SER A 109 25.520 1.177 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.762 -0.745 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.410 -0.247 5.762 1.00 0.00 H new ATOM 0 HG SER A 109 26.347 -1.832 6.764 1.00 0.00 H new ATOM 1472 N GLY A 110 23.528 -0.258 6.573 1.00 0.00 N ATOM 1473 CA GLY A 110 22.205 -0.838 6.729 1.00 0.00 C ATOM 1474 C GLY A 110 21.121 -0.008 6.070 1.00 0.00 C ATOM 1475 O GLY A 110 21.115 1.218 6.178 1.00 0.00 O ATOM 0 H GLY A 110 23.998 -0.025 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.200 -1.841 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.982 -0.943 7.791 1.00 0.00 H new ATOM 1479 N VAL A 111 20.200 -0.681 5.386 1.00 0.00 N ATOM 1480 CA VAL A 111 19.102 -0.006 4.704 1.00 0.00 C ATOM 1481 C VAL A 111 17.783 -0.722 4.971 1.00 0.00 C ATOM 1482 O VAL A 111 17.723 -1.948 4.940 1.00 0.00 O ATOM 1483 CB VAL A 111 19.336 0.060 3.187 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.460 1.127 2.555 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.802 0.313 2.876 1.00 0.00 C ATOM 0 H VAL A 111 20.193 -1.696 5.290 1.00 0.00 H new ATOM 0 HA VAL A 111 19.056 1.010 5.097 1.00 0.00 H new ATOM 0 HB VAL A 111 19.061 -0.904 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.641 1.157 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.411 0.893 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.698 2.098 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.943 0.356 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.110 1.260 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.406 -0.495 3.289 1.00 0.00 H new ATOM 1495 N LEU A 112 16.730 0.045 5.234 1.00 0.00 N ATOM 1496 CA LEU A 112 15.421 -0.535 5.516 1.00 0.00 C ATOM 1497 C LEU A 112 14.535 -0.541 4.277 1.00 0.00 C ATOM 1498 O LEU A 112 14.298 0.500 3.665 1.00 0.00 O ATOM 1499 CB LEU A 112 14.722 0.239 6.638 1.00 0.00 C ATOM 1500 CG LEU A 112 13.242 -0.109 6.847 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.597 0.871 7.815 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.097 -1.536 7.351 1.00 0.00 C ATOM 0 H LEU A 112 16.756 1.064 5.258 1.00 0.00 H new ATOM 0 HA LEU A 112 15.583 -1.566 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.257 0.058 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.802 1.305 6.427 1.00 0.00 H new ATOM 0 HG LEU A 112 12.729 -0.031 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.548 0.610 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.111 0.825 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.670 1.881 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.041 -1.766 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.523 -2.225 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.623 -1.642 8.300 1.00 0.00 H new ATOM 1514 N CYS A 113 14.020 -1.716 3.934 1.00 0.00 N ATOM 1515 CA CYS A 113 13.105 -1.845 2.812 1.00 0.00 C ATOM 1516 C CYS A 113 11.674 -1.677 3.297 1.00 0.00 C ATOM 1517 O CYS A 113 11.098 -2.592 3.890 1.00 0.00 O ATOM 1518 CB CYS A 113 13.262 -3.204 2.137 1.00 0.00 C ATOM 1519 SG CYS A 113 12.029 -3.533 0.835 1.00 0.00 S ATOM 0 H CYS A 113 14.222 -2.591 4.418 1.00 0.00 H new ATOM 0 HA CYS A 113 13.340 -1.068 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.260 -3.269 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.192 -3.985 2.895 1.00 0.00 H new ATOM 1524 N SER A 114 11.124 -0.491 3.087 1.00 0.00 N ATOM 1525 CA SER A 114 9.772 -0.191 3.532 1.00 0.00 C ATOM 1526 C SER A 114 9.042 0.680 2.520 1.00 0.00 C ATOM 1527 O SER A 114 9.664 1.341 1.688 1.00 0.00 O ATOM 1528 CB SER A 114 9.807 0.508 4.892 1.00 0.00 C ATOM 1529 OG SER A 114 9.089 -0.231 5.864 1.00 0.00 O ATOM 0 H SER A 114 11.593 0.280 2.611 1.00 0.00 H new ATOM 0 HA SER A 114 9.231 -1.133 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.841 0.631 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.380 1.507 4.802 1.00 0.00 H new ATOM 0 HG SER A 114 9.128 0.236 6.725 1.00 0.00 H new ATOM 1535 N GLY A 115 7.718 0.669 2.596 1.00 0.00 N ATOM 1536 CA GLY A 115 6.911 1.459 1.682 1.00 0.00 C ATOM 1537 C GLY A 115 7.346 1.306 0.237 1.00 0.00 C ATOM 1538 O GLY A 115 7.242 2.245 -0.552 1.00 0.00 O ATOM 0 H GLY A 115 7.185 0.126 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.866 1.162 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.971 2.510 1.966 1.00 0.00 H new ATOM 1542 N GLY A 116 7.845 0.123 -0.106 1.00 0.00 N ATOM 1543 CA GLY A 116 8.296 -0.128 -1.462 1.00 0.00 C ATOM 1544 C GLY A 116 9.570 0.620 -1.809 1.00 0.00 C ATOM 1545 O GLY A 116 10.013 0.599 -2.957 1.00 0.00 O ATOM 0 H GLY A 116 7.945 -0.667 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.462 -1.197 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.510 0.160 -2.160 1.00 0.00 H new ATOM 1549 N GLU A 117 10.162 1.284 -0.820 1.00 0.00 N ATOM 1550 CA GLU A 117 11.396 2.023 -1.032 1.00 0.00 C ATOM 1551 C GLU A 117 12.427 1.650 0.020 1.00 0.00 C ATOM 1552 O GLU A 117 12.173 0.810 0.883 1.00 0.00 O ATOM 1553 CB GLU A 117 11.133 3.529 -0.991 1.00 0.00 C ATOM 1554 CG GLU A 117 10.803 4.053 0.397 1.00 0.00 C ATOM 1555 CD GLU A 117 11.809 5.075 0.890 1.00 0.00 C ATOM 1556 OE1 GLU A 117 12.423 5.759 0.045 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.983 5.191 2.122 1.00 0.00 O ATOM 0 H GLU A 117 9.805 1.323 0.135 1.00 0.00 H new ATOM 0 HA GLU A 117 11.785 1.760 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.011 4.053 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.308 3.764 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.810 4.503 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.766 3.218 1.097 1.00 0.00 H new ATOM 1564 N TRP A 118 13.587 2.284 -0.050 1.00 0.00 N ATOM 1565 CA TRP A 118 14.657 2.010 0.890 1.00 0.00 C ATOM 1566 C TRP A 118 14.990 3.248 1.711 1.00 0.00 C ATOM 1567 O TRP A 118 15.308 4.304 1.164 1.00 0.00 O ATOM 1568 CB TRP A 118 15.887 1.523 0.136 1.00 0.00 C ATOM 1569 CG TRP A 118 15.687 0.183 -0.500 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.175 -0.065 -1.741 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.973 -1.092 0.080 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.142 -1.416 -1.974 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.623 -2.069 -0.871 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.496 -1.504 1.308 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.778 -3.429 -0.632 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.650 -2.857 1.546 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.297 -3.807 0.576 1.00 0.00 C ATOM 0 H TRP A 118 13.809 2.992 -0.750 1.00 0.00 H new ATOM 0 HA TRP A 118 14.328 1.232 1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.147 2.250 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.731 1.471 0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 118 14.844 0.692 -2.437 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.813 -1.862 -2.830 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.775 -0.779 2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.498 -4.162 -1.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.048 -3.188 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.438 -4.857 0.787 1.00 0.00 H new ATOM 1588 N SER A 119 14.896 3.112 3.027 1.00 0.00 N ATOM 1589 CA SER A 119 15.166 4.221 3.930 1.00 0.00 C ATOM 1590 C SER A 119 16.526 4.070 4.600 1.00 0.00 C ATOM 1591 O SER A 119 17.023 2.959 4.782 1.00 0.00 O ATOM 1592 CB SER A 119 14.070 4.313 4.995 1.00 0.00 C ATOM 1593 OG SER A 119 13.152 3.240 4.876 1.00 0.00 O ATOM 0 H SER A 119 14.634 2.243 3.493 1.00 0.00 H new ATOM 0 HA SER A 119 15.176 5.138 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.521 4.302 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.541 5.261 4.896 1.00 0.00 H new ATOM 0 HG SER A 119 12.463 3.321 5.568 1.00 0.00 H new ATOM 1599 N ASP A 120 17.117 5.200 4.967 1.00 0.00 N ATOM 1600 CA ASP A 120 18.413 5.212 5.633 1.00 0.00 C ATOM 1601 C ASP A 120 19.539 4.729 4.716 1.00 0.00 C ATOM 1602 O ASP A 120 20.413 3.979 5.149 1.00 0.00 O ATOM 1603 CB ASP A 120 18.363 4.339 6.887 1.00 0.00 C ATOM 1604 CG ASP A 120 18.910 5.049 8.110 1.00 0.00 C ATOM 1605 OD1 ASP A 120 19.268 4.358 9.087 1.00 0.00 O ATOM 1606 OD2 ASP A 120 18.980 6.296 8.090 1.00 0.00 O ATOM 0 H ASP A 120 16.716 6.125 4.813 1.00 0.00 H new ATOM 0 HA ASP A 120 18.628 6.245 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.332 4.038 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.934 3.427 6.714 1.00 0.00 H new ATOM 1611 N PRO A 121 19.560 5.172 3.445 1.00 0.00 N ATOM 1612 CA PRO A 121 20.620 4.797 2.506 1.00 0.00 C ATOM 1613 C PRO A 121 21.947 5.445 2.883 1.00 0.00 C ATOM 1614 O PRO A 121 21.979 6.591 3.331 1.00 0.00 O ATOM 1615 CB PRO A 121 20.119 5.330 1.164 1.00 0.00 C ATOM 1616 CG PRO A 121 19.218 6.461 1.522 1.00 0.00 C ATOM 1617 CD PRO A 121 18.580 6.086 2.833 1.00 0.00 C ATOM 0 HA PRO A 121 20.808 3.723 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.945 5.665 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.586 4.560 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.778 7.392 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.463 6.617 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.403 6.961 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.616 5.600 2.685 1.00 0.00 H new ATOM 1625 N PRO A 122 23.062 4.716 2.731 1.00 0.00 N ATOM 1626 CA PRO A 122 24.376 5.210 3.105 1.00 0.00 C ATOM 1627 C PRO A 122 25.115 5.891 1.970 1.00 0.00 C ATOM 1628 O PRO A 122 24.559 6.153 0.904 1.00 0.00 O ATOM 1629 CB PRO A 122 25.104 3.933 3.497 1.00 0.00 C ATOM 1630 CG PRO A 122 24.507 2.869 2.634 1.00 0.00 C ATOM 1631 CD PRO A 122 23.130 3.332 2.233 1.00 0.00 C ATOM 0 HA PRO A 122 24.312 5.970 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 122 26.177 4.022 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 122 24.965 3.708 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 122 25.126 2.698 1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.452 1.924 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 122 22.993 3.289 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.354 2.709 2.678 1.00 0.00 H new ATOM 1639 N THR A 123 26.384 6.158 2.222 1.00 0.00 N ATOM 1640 CA THR A 123 27.257 6.787 1.242 1.00 0.00 C ATOM 1641 C THR A 123 28.633 6.136 1.271 1.00 0.00 C ATOM 1642 O THR A 123 28.816 5.083 1.883 1.00 0.00 O ATOM 1643 CB THR A 123 27.377 8.287 1.519 1.00 0.00 C ATOM 1644 OG1 THR A 123 26.398 8.703 2.455 1.00 0.00 O ATOM 1645 CG2 THR A 123 27.222 9.141 0.280 1.00 0.00 C ATOM 0 H THR A 123 26.840 5.946 3.110 1.00 0.00 H new ATOM 0 HA THR A 123 26.823 6.650 0.251 1.00 0.00 H new ATOM 0 HB THR A 123 28.384 8.428 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 123 26.492 9.664 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 123 27.318 10.193 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 123 27.996 8.879 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 123 26.240 8.967 -0.161 1.00 0.00 H new ATOM 1653 N CYS A 124 29.597 6.761 0.612 1.00 0.00 N ATOM 1654 CA CYS A 124 30.951 6.230 0.573 1.00 0.00 C ATOM 1655 C CYS A 124 31.976 7.354 0.551 1.00 0.00 C ATOM 1656 O CYS A 124 32.306 7.891 -0.507 1.00 0.00 O ATOM 1657 CB CYS A 124 31.129 5.322 -0.645 1.00 0.00 C ATOM 1658 SG CYS A 124 30.594 3.604 -0.366 1.00 0.00 S ATOM 0 H CYS A 124 29.468 7.633 0.099 1.00 0.00 H new ATOM 0 HA CYS A 124 31.113 5.642 1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 124 30.566 5.737 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.179 5.323 -0.937 1.00 0.00 H new ATOM 1663 N GLN A 125 32.471 7.707 1.731 1.00 0.00 N ATOM 1664 CA GLN A 125 33.454 8.768 1.862 1.00 0.00 C ATOM 1665 C GLN A 125 34.751 8.235 2.457 1.00 0.00 C ATOM 1666 O GLN A 125 34.764 7.201 3.126 1.00 0.00 O ATOM 1667 CB GLN A 125 32.904 9.892 2.739 1.00 0.00 C ATOM 1668 CG GLN A 125 32.012 10.868 1.991 1.00 0.00 C ATOM 1669 CD GLN A 125 30.811 11.302 2.807 1.00 0.00 C ATOM 1670 OE1 GLN A 125 30.953 11.811 3.919 1.00 0.00 O ATOM 1671 NE2 GLN A 125 29.619 11.100 2.259 1.00 0.00 N ATOM 0 H GLN A 125 32.204 7.270 2.613 1.00 0.00 H new ATOM 0 HA GLN A 125 33.665 9.160 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.339 9.455 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 125 33.738 10.439 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 125 32.594 11.746 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 125 31.670 10.406 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 125 29.548 10.675 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 125 28.774 11.370 2.762 1.00 0.00 H new ATOM 1680 N ILE A 126 35.836 8.953 2.213 1.00 0.00 N ATOM 1681 CA ILE A 126 37.146 8.561 2.714 1.00 0.00 C ATOM 1682 C ILE A 126 37.410 9.155 4.094 1.00 0.00 C ATOM 1683 O ILE A 126 38.232 10.059 4.246 1.00 0.00 O ATOM 1684 CB ILE A 126 38.263 9.005 1.752 1.00 0.00 C ATOM 1685 CG1 ILE A 126 38.016 8.431 0.356 1.00 0.00 C ATOM 1686 CG2 ILE A 126 39.624 8.579 2.279 1.00 0.00 C ATOM 1687 CD1 ILE A 126 38.234 6.936 0.264 1.00 0.00 C ATOM 0 H ILE A 126 35.836 9.815 1.668 1.00 0.00 H new ATOM 0 HA ILE A 126 37.147 7.473 2.788 1.00 0.00 H new ATOM 0 HB ILE A 126 38.254 10.093 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 126 36.993 8.659 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 126 38.676 8.930 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 126 40.400 8.902 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 126 39.796 9.035 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 126 39.653 7.494 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 126 38.040 6.602 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 126 39.264 6.701 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 126 37.555 6.427 0.948 1.00 0.00 H new