USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1014 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: B 20 SER OG : rot 180:sc= -0.107 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -160:sc= 0.0786 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 60:sc= 0.779 USER MOD Set 2.2: B 18 THR OG1 : rot 82:sc= 0.891 USER MOD Set 3.1: A 77 ASN : amide:sc= -3.15! C(o=-4.9!,f=-7.5!) USER MOD Set 3.2: A 84 CYS SG : rot -67:sc= -1.77! USER MOD Set 4.1: A 75 GLN :FLIP amide:sc= -1.84! C(o=-8.3!,f=-2.8!) USER MOD Set 4.2: A 88 LYS NZ :NH3+ 147:sc= -0.932! (180deg=0) USER MOD Set 5.1: A 45 HIS : no HE2:sc= -6.26! C(o=-6.3!,f=-27!) USER MOD Set 5.2: A 46 THR OG1 : rot 57:sc= 1.11 USER MOD Set 5.3: A 52 LYS NZ :NH3+ -121:sc= -1.12 (180deg=-3.64!) USER MOD Set 6.1: A 19 SER OG : rot 20:sc= -0.458 USER MOD Set 6.2: A 22 HIS :FLIP no HE2:sc= -2.66 F(o=-11,f=-6.8) USER MOD Set 6.3: A 26 CYS SG : rot 162:sc= -0.311 USER MOD Set 6.4: A 31 CYS SG : rot 166:sc= -3.15! USER MOD Set 6.5: A 36 CYS SG : rot 141:sc= -0.261! USER MOD Single : A 1 ALA N :NH3+ -164:sc= -0.0289 (180deg=-0.325) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.197 USER MOD Single : A 8 SER OG : rot 150:sc= -0.13 USER MOD Single : A 14 GLN : amide:sc=-0.00197 X(o=-0.002,f=-0.26) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 25 GLN : amide:sc= -1.72 K(o=-1.7,f=-5.9!) USER MOD Single : A 28 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.3) USER MOD Single : A 30 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.261 K(o=0.26,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 0.811 (180deg=-7.12!) USER MOD Single : A 39 MET CE :methyl -149:sc= -0.134 (180deg=-2.05) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -2.41! (180deg=-2.46!) USER MOD Single : A 44 GLN : amide:sc= -5.13! C(o=-5.1!,f=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0231 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 86:sc= 0.777 USER MOD Single : A 54 ASN : amide:sc= -0.0255 K(o=-0.025,f=-1.8!) USER MOD Single : A 57 CYS SG : rot 90:sc= -4.01 USER MOD Single : A 60 CYS SG : rot -110:sc= -3.75! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc=-0.00625 K(o=-0.0063,f=-1.9) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 74 CYS SG : rot -84:sc= -0.249 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.102 (180deg=-0.769) USER MOD Single : B 1 MET N :NH3+ -163:sc= -0.0375 (180deg=-0.356) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 6 SER OG : rot 180:sc= -0.0271 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 29 ASN : amide:sc= -3.02! C(o=-3!,f=-3.3!) USER MOD Single : B 30 ASN : amide:sc= -2.75 X(o=-2.7,f=-2.8!) USER MOD Single : B 33 SER OG : rot 180:sc= -0.0112 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.513 1.354 20.369 1.00 0.00 N ATOM 2 CA ALA A 1 -17.576 -0.005 20.975 1.00 0.00 C ATOM 3 C ALA A 1 -17.301 -1.052 19.900 1.00 0.00 C ATOM 4 O ALA A 1 -16.819 -2.146 20.194 1.00 0.00 O ATOM 5 CB ALA A 1 -18.965 -0.229 21.576 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.428 2.066 21.122 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.687 1.416 19.740 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.379 1.531 19.822 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.826 -0.092 21.761 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.013 -1.223 22.020 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.154 0.521 22.344 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.718 -0.145 20.793 1.00 0.00 H new ATOM 13 N THR A 2 -17.614 -0.710 18.654 1.00 0.00 N ATOM 14 CA THR A 2 -17.401 -1.631 17.544 1.00 0.00 C ATOM 15 C THR A 2 -15.912 -1.882 17.326 1.00 0.00 C ATOM 16 O THR A 2 -15.512 -2.991 16.972 1.00 0.00 O ATOM 17 CB THR A 2 -18.009 -1.055 16.265 1.00 0.00 C ATOM 18 OG1 THR A 2 -17.420 0.209 15.993 1.00 0.00 O ATOM 19 CG2 THR A 2 -19.518 -0.888 16.444 1.00 0.00 C ATOM 0 H THR A 2 -18.013 0.191 18.389 1.00 0.00 H new ATOM 0 HA THR A 2 -17.885 -2.576 17.788 1.00 0.00 H new ATOM 0 HB THR A 2 -17.818 -1.734 15.434 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.806 0.580 15.173 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.949 -0.477 15.531 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.969 -1.858 16.654 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.713 -0.210 17.275 1.00 0.00 H new ATOM 27 N GLN A 3 -15.106 -0.836 17.529 1.00 0.00 N ATOM 28 CA GLN A 3 -13.650 -0.918 17.347 1.00 0.00 C ATOM 29 C GLN A 3 -13.122 -2.324 17.634 1.00 0.00 C ATOM 30 O GLN A 3 -13.480 -2.939 18.638 1.00 0.00 O ATOM 31 CB GLN A 3 -12.962 0.076 18.285 1.00 0.00 C ATOM 32 CG GLN A 3 -13.323 1.506 17.872 1.00 0.00 C ATOM 33 CD GLN A 3 -12.681 2.503 18.831 1.00 0.00 C ATOM 34 OE1 GLN A 3 -11.936 2.111 19.729 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.924 3.777 18.692 1.00 0.00 N ATOM 0 H GLN A 3 -15.438 0.083 17.821 1.00 0.00 H new ATOM 0 HA GLN A 3 -13.430 -0.677 16.307 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.272 -0.105 19.314 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.881 -0.062 18.248 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.982 1.696 16.854 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.406 1.632 17.874 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.542 4.100 17.947 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.496 4.450 19.328 1.00 0.00 H new ATOM 44 N SER A 4 -12.278 -2.823 16.739 1.00 0.00 N ATOM 45 CA SER A 4 -11.709 -4.158 16.893 1.00 0.00 C ATOM 46 C SER A 4 -10.576 -4.349 15.892 1.00 0.00 C ATOM 47 O SER A 4 -10.259 -3.431 15.135 1.00 0.00 O ATOM 48 CB SER A 4 -12.808 -5.211 16.676 1.00 0.00 C ATOM 49 OG SER A 4 -12.689 -5.766 15.372 1.00 0.00 O ATOM 0 H SER A 4 -11.973 -2.326 15.902 1.00 0.00 H new ATOM 0 HA SER A 4 -11.307 -4.274 17.899 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.724 -5.998 17.426 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.791 -4.756 16.800 1.00 0.00 H new ATOM 0 HG SER A 4 -13.390 -6.438 15.237 1.00 0.00 H new ATOM 55 N PRO A 5 -9.969 -5.506 15.853 1.00 0.00 N ATOM 56 CA PRO A 5 -8.865 -5.777 14.899 1.00 0.00 C ATOM 57 C PRO A 5 -9.354 -5.503 13.499 1.00 0.00 C ATOM 58 O PRO A 5 -8.618 -5.017 12.642 1.00 0.00 O ATOM 59 CB PRO A 5 -8.542 -7.261 15.124 1.00 0.00 C ATOM 60 CG PRO A 5 -8.971 -7.493 16.527 1.00 0.00 C ATOM 61 CD PRO A 5 -10.250 -6.679 16.683 1.00 0.00 C ATOM 0 HA PRO A 5 -7.981 -5.156 15.042 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.083 -7.901 14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.480 -7.467 14.988 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.150 -8.551 16.716 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.207 -7.168 17.233 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.126 -7.225 16.334 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.437 -6.408 17.722 1.00 0.00 H new ATOM 69 N GLY A 6 -10.630 -5.785 13.300 1.00 0.00 N ATOM 70 CA GLY A 6 -11.257 -5.542 12.024 1.00 0.00 C ATOM 71 C GLY A 6 -11.132 -4.061 11.699 1.00 0.00 C ATOM 72 O GLY A 6 -10.965 -3.670 10.546 1.00 0.00 O ATOM 0 H GLY A 6 -11.247 -6.182 14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.781 -6.142 11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.306 -5.836 12.055 1.00 0.00 H new ATOM 76 N ASP A 7 -11.171 -3.247 12.750 1.00 0.00 N ATOM 77 CA ASP A 7 -11.026 -1.806 12.603 1.00 0.00 C ATOM 78 C ASP A 7 -9.547 -1.470 12.495 1.00 0.00 C ATOM 79 O ASP A 7 -9.161 -0.476 11.880 1.00 0.00 O ATOM 80 CB ASP A 7 -11.645 -1.080 13.799 1.00 0.00 C ATOM 81 CG ASP A 7 -11.734 0.415 13.512 1.00 0.00 C ATOM 82 OD1 ASP A 7 -11.010 0.877 12.645 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.526 1.077 14.163 1.00 0.00 O ATOM 0 H ASP A 7 -11.302 -3.562 13.711 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.546 -1.479 11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.638 -1.479 14.003 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.043 -1.252 14.691 1.00 0.00 H new ATOM 88 N SER A 8 -8.725 -2.337 13.078 1.00 0.00 N ATOM 89 CA SER A 8 -7.285 -2.167 13.025 1.00 0.00 C ATOM 90 C SER A 8 -6.800 -2.487 11.623 1.00 0.00 C ATOM 91 O SER A 8 -5.875 -1.857 11.108 1.00 0.00 O ATOM 92 CB SER A 8 -6.595 -3.070 14.056 1.00 0.00 C ATOM 93 OG SER A 8 -5.274 -2.592 14.286 1.00 0.00 O ATOM 0 H SER A 8 -9.035 -3.162 13.591 1.00 0.00 H new ATOM 0 HA SER A 8 -7.034 -1.135 13.268 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.160 -3.076 14.988 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.565 -4.098 13.695 1.00 0.00 H new ATOM 0 HG SER A 8 -5.005 -2.803 15.204 1.00 0.00 H new ATOM 99 N ARG A 9 -7.459 -3.456 11.001 1.00 0.00 N ATOM 100 CA ARG A 9 -7.124 -3.841 9.646 1.00 0.00 C ATOM 101 C ARG A 9 -7.546 -2.736 8.698 1.00 0.00 C ATOM 102 O ARG A 9 -6.862 -2.431 7.719 1.00 0.00 O ATOM 103 CB ARG A 9 -7.795 -5.167 9.263 1.00 0.00 C ATOM 104 CG ARG A 9 -7.153 -6.313 10.046 1.00 0.00 C ATOM 105 CD ARG A 9 -7.774 -7.640 9.606 1.00 0.00 C ATOM 106 NE ARG A 9 -7.186 -8.748 10.354 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.691 -9.140 11.521 1.00 0.00 C ATOM 108 NH1 ARG A 9 -8.729 -8.531 12.024 1.00 0.00 N ATOM 109 NH2 ARG A 9 -7.147 -10.136 12.162 1.00 0.00 N ATOM 0 H ARG A 9 -8.226 -3.985 11.416 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.046 -3.990 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.863 -5.121 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.692 -5.342 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.077 -6.328 9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.303 -6.166 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.852 -7.616 9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.614 -7.788 8.538 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.372 -9.231 9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.156 -7.752 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.114 -8.834 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.336 -10.613 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.532 -10.438 13.057 1.00 0.00 H new ATOM 123 N ARG A 10 -8.667 -2.122 9.029 1.00 0.00 N ATOM 124 CA ARG A 10 -9.186 -1.009 8.238 1.00 0.00 C ATOM 125 C ARG A 10 -8.301 0.211 8.443 1.00 0.00 C ATOM 126 O ARG A 10 -8.059 0.994 7.524 1.00 0.00 O ATOM 127 CB ARG A 10 -10.634 -0.690 8.619 1.00 0.00 C ATOM 128 CG ARG A 10 -11.566 -1.812 8.126 1.00 0.00 C ATOM 129 CD ARG A 10 -11.667 -1.811 6.592 1.00 0.00 C ATOM 130 NE ARG A 10 -12.950 -2.377 6.181 1.00 0.00 N ATOM 131 CZ ARG A 10 -13.243 -2.564 4.899 1.00 0.00 C ATOM 132 NH1 ARG A 10 -12.378 -2.238 3.977 1.00 0.00 N ATOM 133 NH2 ARG A 10 -14.396 -3.074 4.560 1.00 0.00 N ATOM 0 H ARG A 10 -9.238 -2.370 9.837 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.176 -1.292 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.719 -0.584 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.933 0.262 8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.192 -2.777 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.558 -1.682 8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.569 -0.794 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.849 -2.391 6.164 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.634 -2.634 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.477 -1.840 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.603 -2.382 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.072 -3.329 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.621 -3.217 3.575 1.00 0.00 H new ATOM 147 N LEU A 11 -7.802 0.346 9.660 1.00 0.00 N ATOM 148 CA LEU A 11 -6.910 1.443 9.997 1.00 0.00 C ATOM 149 C LEU A 11 -5.521 1.123 9.469 1.00 0.00 C ATOM 150 O LEU A 11 -4.731 2.022 9.180 1.00 0.00 O ATOM 151 CB LEU A 11 -6.870 1.658 11.523 1.00 0.00 C ATOM 152 CG LEU A 11 -8.067 2.528 11.977 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.436 2.224 13.440 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.702 4.015 11.860 1.00 0.00 C ATOM 0 H LEU A 11 -7.999 -0.291 10.432 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.273 2.363 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.898 0.695 12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.934 2.141 11.804 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.918 2.298 11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.280 2.846 13.739 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.708 1.173 13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.582 2.437 14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.548 4.624 12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.840 4.229 12.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.459 4.249 10.824 1.00 0.00 H new ATOM 166 N SER A 12 -5.233 -0.172 9.333 1.00 0.00 N ATOM 167 CA SER A 12 -3.939 -0.588 8.820 1.00 0.00 C ATOM 168 C SER A 12 -3.792 -0.129 7.380 1.00 0.00 C ATOM 169 O SER A 12 -2.771 0.452 7.004 1.00 0.00 O ATOM 170 CB SER A 12 -3.798 -2.107 8.898 1.00 0.00 C ATOM 171 OG SER A 12 -2.525 -2.485 8.389 1.00 0.00 O ATOM 0 H SER A 12 -5.869 -0.934 9.568 1.00 0.00 H new ATOM 0 HA SER A 12 -3.156 -0.135 9.428 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.904 -2.442 9.930 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.590 -2.588 8.324 1.00 0.00 H new ATOM 0 HG SER A 12 -1.820 -2.061 8.922 1.00 0.00 H new ATOM 177 N ILE A 13 -4.821 -0.383 6.572 1.00 0.00 N ATOM 178 CA ILE A 13 -4.772 0.026 5.182 1.00 0.00 C ATOM 179 C ILE A 13 -4.886 1.546 5.052 1.00 0.00 C ATOM 180 O ILE A 13 -4.336 2.122 4.126 1.00 0.00 O ATOM 181 CB ILE A 13 -5.877 -0.649 4.361 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.250 -0.190 4.849 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.771 -2.170 4.476 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.343 -0.862 4.019 1.00 0.00 C ATOM 0 H ILE A 13 -5.678 -0.860 6.854 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.806 -0.290 4.788 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.755 -0.364 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.374 -0.440 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.332 0.894 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.562 -2.635 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.801 -2.496 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.875 -2.464 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.321 -0.532 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.223 -0.590 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.266 -1.944 4.124 1.00 0.00 H new ATOM 196 N GLN A 14 -5.616 2.187 5.972 1.00 0.00 N ATOM 197 CA GLN A 14 -5.804 3.620 5.939 1.00 0.00 C ATOM 198 C GLN A 14 -4.454 4.330 6.042 1.00 0.00 C ATOM 199 O GLN A 14 -4.202 5.312 5.353 1.00 0.00 O ATOM 200 CB GLN A 14 -6.707 4.033 7.113 1.00 0.00 C ATOM 201 CG GLN A 14 -7.427 5.330 6.762 1.00 0.00 C ATOM 202 CD GLN A 14 -8.237 5.831 7.953 1.00 0.00 C ATOM 203 OE1 GLN A 14 -7.683 6.058 9.028 1.00 0.00 O ATOM 204 NE2 GLN A 14 -9.521 6.027 7.823 1.00 0.00 N ATOM 0 H GLN A 14 -6.084 1.721 6.749 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.274 3.905 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.432 3.247 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.111 4.167 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.701 6.087 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.086 5.168 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.978 5.838 6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.067 6.369 8.614 1.00 0.00 H new ATOM 213 N ARG A 15 -3.591 3.805 6.902 1.00 0.00 N ATOM 214 CA ARG A 15 -2.262 4.363 7.094 1.00 0.00 C ATOM 215 C ARG A 15 -1.405 4.054 5.881 1.00 0.00 C ATOM 216 O ARG A 15 -0.633 4.895 5.413 1.00 0.00 O ATOM 217 CB ARG A 15 -1.621 3.779 8.359 1.00 0.00 C ATOM 218 CG ARG A 15 -2.363 4.304 9.591 1.00 0.00 C ATOM 219 CD ARG A 15 -1.760 3.691 10.856 1.00 0.00 C ATOM 220 NE ARG A 15 -2.478 4.159 12.035 1.00 0.00 N ATOM 221 CZ ARG A 15 -2.172 3.714 13.250 1.00 0.00 C ATOM 222 NH1 ARG A 15 -1.207 2.850 13.403 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.836 4.141 14.289 1.00 0.00 N ATOM 0 H ARG A 15 -3.791 2.989 7.480 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.339 5.444 7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.662 2.690 8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.568 4.057 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.294 5.391 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.422 4.054 9.523 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.808 2.603 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.706 3.960 10.932 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.229 4.840 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.688 2.516 12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.972 2.508 14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.591 4.817 14.170 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.600 3.799 15.221 1.00 0.00 H new ATOM 237 N ALA A 16 -1.574 2.847 5.351 1.00 0.00 N ATOM 238 CA ALA A 16 -0.839 2.449 4.170 1.00 0.00 C ATOM 239 C ALA A 16 -1.364 3.254 3.003 1.00 0.00 C ATOM 240 O ALA A 16 -0.604 3.717 2.160 1.00 0.00 O ATOM 241 CB ALA A 16 -1.019 0.952 3.903 1.00 0.00 C ATOM 0 H ALA A 16 -2.208 2.139 5.720 1.00 0.00 H new ATOM 0 HA ALA A 16 0.226 2.635 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.459 0.672 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.650 0.383 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.076 0.734 3.751 1.00 0.00 H new ATOM 247 N ILE A 17 -2.680 3.427 2.994 1.00 0.00 N ATOM 248 CA ILE A 17 -3.343 4.196 1.964 1.00 0.00 C ATOM 249 C ILE A 17 -2.919 5.648 2.071 1.00 0.00 C ATOM 250 O ILE A 17 -2.533 6.261 1.087 1.00 0.00 O ATOM 251 CB ILE A 17 -4.858 4.064 2.164 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.334 2.660 1.663 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.637 5.215 1.466 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.129 2.762 0.352 1.00 0.00 C ATOM 0 H ILE A 17 -3.308 3.039 3.698 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.072 3.828 0.974 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.074 4.148 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.468 2.014 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.953 2.192 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.706 5.084 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.320 6.172 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.431 5.197 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.441 1.766 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.009 3.386 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.501 3.206 -0.421 1.00 0.00 H new ATOM 266 N GLN A 18 -2.972 6.192 3.282 1.00 0.00 N ATOM 267 CA GLN A 18 -2.576 7.575 3.471 1.00 0.00 C ATOM 268 C GLN A 18 -1.198 7.802 2.872 1.00 0.00 C ATOM 269 O GLN A 18 -0.931 8.862 2.324 1.00 0.00 O ATOM 270 CB GLN A 18 -2.589 7.942 4.965 1.00 0.00 C ATOM 271 CG GLN A 18 -4.015 8.310 5.403 1.00 0.00 C ATOM 272 CD GLN A 18 -4.080 8.434 6.921 1.00 0.00 C ATOM 273 OE1 GLN A 18 -3.067 8.276 7.603 1.00 0.00 O ATOM 274 NE2 GLN A 18 -5.220 8.707 7.495 1.00 0.00 N ATOM 0 H GLN A 18 -3.278 5.708 4.126 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.291 8.221 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.223 7.103 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.916 8.780 5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.315 9.250 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.717 7.549 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.058 8.838 6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.273 8.790 8.510 1.00 0.00 H new ATOM 283 N SER A 19 -0.331 6.799 2.943 1.00 0.00 N ATOM 284 CA SER A 19 1.001 6.935 2.361 1.00 0.00 C ATOM 285 C SER A 19 0.978 6.526 0.900 1.00 0.00 C ATOM 286 O SER A 19 1.596 7.178 0.070 1.00 0.00 O ATOM 287 CB SER A 19 2.024 6.100 3.132 1.00 0.00 C ATOM 288 OG SER A 19 3.330 6.576 2.843 1.00 0.00 O ATOM 0 H SER A 19 -0.519 5.900 3.387 1.00 0.00 H new ATOM 0 HA SER A 19 1.299 7.981 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.830 6.163 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.937 5.050 2.854 1.00 0.00 H new ATOM 0 HG SER A 19 3.275 7.488 2.488 1.00 0.00 H new ATOM 294 N LEU A 20 0.261 5.459 0.571 1.00 0.00 N ATOM 295 CA LEU A 20 0.190 5.047 -0.829 1.00 0.00 C ATOM 296 C LEU A 20 -0.504 6.133 -1.647 1.00 0.00 C ATOM 297 O LEU A 20 0.023 6.593 -2.661 1.00 0.00 O ATOM 298 CB LEU A 20 -0.540 3.689 -0.930 1.00 0.00 C ATOM 299 CG LEU A 20 -1.360 3.521 -2.235 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.429 3.464 -3.451 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.156 2.216 -2.149 1.00 0.00 C ATOM 0 H LEU A 20 -0.263 4.879 1.226 1.00 0.00 H new ATOM 0 HA LEU A 20 1.193 4.916 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.194 2.886 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.207 3.580 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.032 4.372 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.022 3.346 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.147 4.387 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.251 2.618 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.738 2.084 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.469 1.378 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.828 2.256 -1.292 1.00 0.00 H new ATOM 313 N VAL A 21 -1.683 6.550 -1.188 1.00 0.00 N ATOM 314 CA VAL A 21 -2.417 7.593 -1.879 1.00 0.00 C ATOM 315 C VAL A 21 -1.575 8.871 -1.883 1.00 0.00 C ATOM 316 O VAL A 21 -1.516 9.576 -2.864 1.00 0.00 O ATOM 317 CB VAL A 21 -3.808 7.835 -1.227 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.316 9.264 -1.496 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.829 6.834 -1.798 1.00 0.00 C ATOM 0 H VAL A 21 -2.140 6.184 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.603 7.280 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.698 7.699 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.290 9.398 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.611 9.985 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.407 9.422 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.803 7.006 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.907 6.969 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.501 5.817 -1.583 1.00 0.00 H new ATOM 329 N HIS A 22 -0.923 9.191 -0.779 1.00 0.00 N ATOM 330 CA HIS A 22 -0.111 10.400 -0.751 1.00 0.00 C ATOM 331 C HIS A 22 1.178 10.223 -1.553 1.00 0.00 C ATOM 332 O HIS A 22 1.607 11.124 -2.265 1.00 0.00 O ATOM 333 CB HIS A 22 0.196 10.800 0.689 1.00 0.00 C ATOM 334 CG HIS A 22 0.802 12.173 0.721 1.00 0.00 C ATOM 335 ND1 HIS A 22 1.983 12.651 1.234 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 0.139 13.275 0.204 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 2.053 14.027 1.040 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 0.916 14.351 0.416 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.936 8.651 0.086 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.682 11.201 -1.220 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.718 10.783 1.283 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.881 10.080 1.137 1.00 0.00 H new ATOM 0 HD1 HIS A 22 2.699 12.084 1.688 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.826 13.270 -0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.854 14.691 1.331 1.00 0.00 H new ATOM 346 N ALA A 23 1.796 9.063 -1.416 1.00 0.00 N ATOM 347 CA ALA A 23 3.052 8.776 -2.113 1.00 0.00 C ATOM 348 C ALA A 23 2.871 8.532 -3.615 1.00 0.00 C ATOM 349 O ALA A 23 3.814 8.728 -4.382 1.00 0.00 O ATOM 350 CB ALA A 23 3.722 7.549 -1.498 1.00 0.00 C ATOM 0 H ALA A 23 1.454 8.301 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 23 3.674 9.664 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.655 7.343 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.931 7.738 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.058 6.689 -1.587 1.00 0.00 H new ATOM 356 N ALA A 24 1.687 8.088 -4.049 1.00 0.00 N ATOM 357 CA ALA A 24 1.471 7.817 -5.467 1.00 0.00 C ATOM 358 C ALA A 24 0.875 9.027 -6.156 1.00 0.00 C ATOM 359 O ALA A 24 0.703 9.046 -7.374 1.00 0.00 O ATOM 360 CB ALA A 24 0.532 6.630 -5.619 1.00 0.00 C ATOM 0 H ALA A 24 0.880 7.913 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 24 2.431 7.590 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.370 6.427 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.974 5.754 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.422 6.858 -5.143 1.00 0.00 H new ATOM 366 N GLN A 25 0.529 10.024 -5.356 1.00 0.00 N ATOM 367 CA GLN A 25 -0.086 11.229 -5.859 1.00 0.00 C ATOM 368 C GLN A 25 0.695 12.466 -5.450 1.00 0.00 C ATOM 369 O GLN A 25 0.726 13.451 -6.188 1.00 0.00 O ATOM 370 CB GLN A 25 -1.496 11.246 -5.307 1.00 0.00 C ATOM 371 CG GLN A 25 -2.163 9.880 -5.600 1.00 0.00 C ATOM 372 CD GLN A 25 -3.665 10.048 -5.773 1.00 0.00 C ATOM 373 OE1 GLN A 25 -4.117 10.801 -6.635 1.00 0.00 O ATOM 374 NE2 GLN A 25 -4.470 9.398 -4.981 1.00 0.00 N ATOM 0 H GLN A 25 0.668 10.015 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.096 11.239 -6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.479 11.435 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.070 12.052 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.733 9.445 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.960 9.187 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.091 8.775 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.479 9.512 -5.074 1.00 0.00 H new ATOM 383 N CYS A 26 1.373 12.402 -4.312 1.00 0.00 N ATOM 384 CA CYS A 26 2.204 13.521 -3.879 1.00 0.00 C ATOM 385 C CYS A 26 3.648 13.180 -4.198 1.00 0.00 C ATOM 386 O CYS A 26 4.405 12.731 -3.337 1.00 0.00 O ATOM 387 CB CYS A 26 2.031 13.786 -2.377 1.00 0.00 C ATOM 388 SG CYS A 26 2.472 15.505 -2.023 1.00 0.00 S ATOM 0 H CYS A 26 1.366 11.602 -3.680 1.00 0.00 H new ATOM 0 HA CYS A 26 1.905 14.429 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.001 13.593 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.662 13.110 -1.801 1.00 0.00 H new ATOM 0 HG CYS A 26 1.976 15.852 -0.872 1.00 0.00 H new ATOM 394 N ARG A 27 4.014 13.385 -5.456 1.00 0.00 N ATOM 395 CA ARG A 27 5.362 13.090 -5.915 1.00 0.00 C ATOM 396 C ARG A 27 6.264 14.278 -5.595 1.00 0.00 C ATOM 397 O ARG A 27 6.902 14.867 -6.467 1.00 0.00 O ATOM 398 CB ARG A 27 5.314 12.782 -7.425 1.00 0.00 C ATOM 399 CG ARG A 27 6.708 12.408 -7.979 1.00 0.00 C ATOM 400 CD ARG A 27 7.029 10.939 -7.677 1.00 0.00 C ATOM 401 NE ARG A 27 8.378 10.625 -8.125 1.00 0.00 N ATOM 402 CZ ARG A 27 8.991 9.515 -7.731 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.380 8.680 -6.935 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.205 9.261 -8.134 1.00 0.00 N ATOM 0 H ARG A 27 3.394 13.755 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 27 5.772 12.217 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.619 11.963 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.931 13.650 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.736 12.579 -9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.467 13.051 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.938 10.750 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.310 10.290 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 27 8.861 11.269 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.432 8.880 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.850 7.827 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.684 9.915 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.675 8.408 -7.831 1.00 0.00 H new ATOM 418 N ASN A 28 6.284 14.640 -4.322 1.00 0.00 N ATOM 419 CA ASN A 28 7.096 15.762 -3.876 1.00 0.00 C ATOM 420 C ASN A 28 8.579 15.433 -4.011 1.00 0.00 C ATOM 421 O ASN A 28 9.374 16.283 -4.410 1.00 0.00 O ATOM 422 CB ASN A 28 6.776 16.088 -2.418 1.00 0.00 C ATOM 423 CG ASN A 28 7.580 17.302 -1.972 1.00 0.00 C ATOM 424 OD1 ASN A 28 8.418 17.201 -1.077 1.00 0.00 O ATOM 425 ND2 ASN A 28 7.373 18.455 -2.551 1.00 0.00 N ATOM 0 H ASN A 28 5.752 14.178 -3.584 1.00 0.00 H new ATOM 0 HA ASN A 28 6.867 16.626 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.710 16.285 -2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.010 15.232 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.907 19.274 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.678 18.536 -3.293 1.00 0.00 H new ATOM 432 N ALA A 29 8.931 14.193 -3.644 1.00 0.00 N ATOM 433 CA ALA A 29 10.318 13.707 -3.681 1.00 0.00 C ATOM 434 C ALA A 29 10.967 13.869 -2.310 1.00 0.00 C ATOM 435 O ALA A 29 11.643 12.966 -1.819 1.00 0.00 O ATOM 436 CB ALA A 29 11.156 14.448 -4.736 1.00 0.00 C ATOM 0 H ALA A 29 8.262 13.498 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 29 10.287 12.652 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.174 14.059 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.715 14.298 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.173 15.513 -4.504 1.00 0.00 H new ATOM 442 N ASN A 30 10.753 15.033 -1.702 1.00 0.00 N ATOM 443 CA ASN A 30 11.316 15.325 -0.387 1.00 0.00 C ATOM 444 C ASN A 30 10.313 14.989 0.710 1.00 0.00 C ATOM 445 O ASN A 30 10.503 15.376 1.863 1.00 0.00 O ATOM 446 CB ASN A 30 11.677 16.807 -0.296 1.00 0.00 C ATOM 447 CG ASN A 30 12.837 17.120 -1.236 1.00 0.00 C ATOM 448 OD1 ASN A 30 13.569 16.216 -1.642 1.00 0.00 O ATOM 449 ND2 ASN A 30 13.048 18.352 -1.607 1.00 0.00 N ATOM 0 H ASN A 30 10.194 15.789 -2.099 1.00 0.00 H new ATOM 0 HA ASN A 30 12.210 14.717 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.812 17.417 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.949 17.061 0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.821 18.570 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.440 19.098 -1.269 1.00 0.00 H new ATOM 456 N CYS A 31 9.239 14.282 0.337 1.00 0.00 N ATOM 457 CA CYS A 31 8.188 13.900 1.289 1.00 0.00 C ATOM 458 C CYS A 31 8.772 13.668 2.684 1.00 0.00 C ATOM 459 O CYS A 31 9.683 12.857 2.856 1.00 0.00 O ATOM 460 CB CYS A 31 7.488 12.630 0.800 1.00 0.00 C ATOM 461 SG CYS A 31 5.873 12.487 1.603 1.00 0.00 S ATOM 0 H CYS A 31 9.075 13.963 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 31 7.466 14.714 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.367 12.662 -0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.098 11.755 1.026 1.00 0.00 H new ATOM 0 HG CYS A 31 5.157 11.596 0.983 1.00 0.00 H new ATOM 467 N SER A 32 8.267 14.404 3.674 1.00 0.00 N ATOM 468 CA SER A 32 8.773 14.289 5.033 1.00 0.00 C ATOM 469 C SER A 32 8.125 13.145 5.780 1.00 0.00 C ATOM 470 O SER A 32 8.284 13.036 6.993 1.00 0.00 O ATOM 471 CB SER A 32 8.524 15.577 5.796 1.00 0.00 C ATOM 472 OG SER A 32 7.141 15.901 5.742 1.00 0.00 O ATOM 0 H SER A 32 7.513 15.081 3.557 1.00 0.00 H new ATOM 0 HA SER A 32 9.843 14.094 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.842 15.465 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.115 16.386 5.367 1.00 0.00 H new ATOM 0 HG SER A 32 6.980 16.732 6.236 1.00 0.00 H new ATOM 478 N LEU A 33 7.408 12.285 5.064 1.00 0.00 N ATOM 479 CA LEU A 33 6.770 11.135 5.685 1.00 0.00 C ATOM 480 C LEU A 33 7.606 9.892 5.383 1.00 0.00 C ATOM 481 O LEU A 33 7.542 9.366 4.274 1.00 0.00 O ATOM 482 CB LEU A 33 5.344 10.968 5.136 1.00 0.00 C ATOM 483 CG LEU A 33 4.432 12.124 5.653 1.00 0.00 C ATOM 484 CD1 LEU A 33 3.606 12.721 4.504 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.462 11.603 6.730 1.00 0.00 C ATOM 0 H LEU A 33 7.256 12.364 4.058 1.00 0.00 H new ATOM 0 HA LEU A 33 6.706 11.279 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.363 10.969 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.937 10.006 5.447 1.00 0.00 H new ATOM 0 HG LEU A 33 5.080 12.891 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.978 13.525 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.277 13.117 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.977 11.946 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.833 12.422 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.834 10.819 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.031 11.199 7.567 1.00 0.00 H new ATOM 497 N PRO A 34 8.404 9.412 6.311 1.00 0.00 N ATOM 498 CA PRO A 34 9.251 8.222 6.052 1.00 0.00 C ATOM 499 C PRO A 34 8.450 7.123 5.364 1.00 0.00 C ATOM 500 O PRO A 34 8.990 6.321 4.602 1.00 0.00 O ATOM 501 CB PRO A 34 9.719 7.798 7.449 1.00 0.00 C ATOM 502 CG PRO A 34 9.738 9.065 8.238 1.00 0.00 C ATOM 503 CD PRO A 34 8.602 9.928 7.680 1.00 0.00 C ATOM 0 HA PRO A 34 10.086 8.428 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.042 7.066 7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.706 7.338 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.591 8.866 9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.698 9.572 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.696 9.831 8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.869 10.985 7.674 1.00 0.00 H new ATOM 511 N SER A 35 7.149 7.118 5.627 1.00 0.00 N ATOM 512 CA SER A 35 6.261 6.142 5.017 1.00 0.00 C ATOM 513 C SER A 35 6.179 6.376 3.516 1.00 0.00 C ATOM 514 O SER A 35 6.056 5.431 2.739 1.00 0.00 O ATOM 515 CB SER A 35 4.863 6.240 5.636 1.00 0.00 C ATOM 516 OG SER A 35 4.871 5.615 6.914 1.00 0.00 O ATOM 0 H SER A 35 6.689 7.776 6.256 1.00 0.00 H new ATOM 0 HA SER A 35 6.660 5.144 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.567 7.285 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.131 5.759 4.987 1.00 0.00 H new ATOM 0 HG SER A 35 3.979 5.677 7.314 1.00 0.00 H new ATOM 522 N CYS A 36 6.246 7.635 3.105 1.00 0.00 N ATOM 523 CA CYS A 36 6.177 7.945 1.683 1.00 0.00 C ATOM 524 C CYS A 36 7.438 7.469 0.964 1.00 0.00 C ATOM 525 O CYS A 36 7.362 6.736 -0.019 1.00 0.00 O ATOM 526 CB CYS A 36 5.992 9.450 1.486 1.00 0.00 C ATOM 527 SG CYS A 36 4.229 9.852 1.541 1.00 0.00 S ATOM 0 H CYS A 36 6.346 8.443 3.720 1.00 0.00 H new ATOM 0 HA CYS A 36 5.322 7.422 1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.525 9.998 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.417 9.758 0.530 1.00 0.00 H new ATOM 0 HG CYS A 36 4.059 10.969 2.183 1.00 0.00 H new ATOM 533 N GLN A 37 8.590 7.898 1.460 1.00 0.00 N ATOM 534 CA GLN A 37 9.855 7.528 0.856 1.00 0.00 C ATOM 535 C GLN A 37 9.975 6.033 0.701 1.00 0.00 C ATOM 536 O GLN A 37 10.513 5.539 -0.289 1.00 0.00 O ATOM 537 CB GLN A 37 11.000 7.992 1.742 1.00 0.00 C ATOM 538 CG GLN A 37 10.976 9.519 1.850 1.00 0.00 C ATOM 539 CD GLN A 37 12.198 10.017 2.618 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.073 9.227 2.972 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.309 11.288 2.897 1.00 0.00 N ATOM 0 H GLN A 37 8.671 8.502 2.278 1.00 0.00 H new ATOM 0 HA GLN A 37 9.899 8.000 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.911 7.545 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.952 7.661 1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.960 9.960 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.065 9.840 2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.582 11.940 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.122 11.628 3.410 1.00 0.00 H new ATOM 550 N LYS A 38 9.482 5.314 1.692 1.00 0.00 N ATOM 551 CA LYS A 38 9.548 3.877 1.666 1.00 0.00 C ATOM 552 C LYS A 38 8.482 3.342 0.713 1.00 0.00 C ATOM 553 O LYS A 38 8.671 2.306 0.076 1.00 0.00 O ATOM 554 CB LYS A 38 9.441 3.327 3.122 1.00 0.00 C ATOM 555 CG LYS A 38 8.551 2.069 3.227 1.00 0.00 C ATOM 556 CD LYS A 38 7.103 2.521 3.406 1.00 0.00 C ATOM 557 CE LYS A 38 6.149 1.340 3.250 1.00 0.00 C ATOM 558 NZ LYS A 38 4.783 1.758 3.666 1.00 0.00 N ATOM 0 H LYS A 38 9.034 5.706 2.520 1.00 0.00 H new ATOM 0 HA LYS A 38 10.506 3.528 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.440 3.091 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.038 4.105 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.650 1.458 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.863 1.452 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.976 2.971 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.863 3.289 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.139 0.999 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.487 0.501 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.465 1.165 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.801 2.754 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.127 1.648 2.866 1.00 0.00 H new ATOM 572 N MET A 39 7.364 4.065 0.599 1.00 0.00 N ATOM 573 CA MET A 39 6.307 3.639 -0.300 1.00 0.00 C ATOM 574 C MET A 39 6.707 3.939 -1.725 1.00 0.00 C ATOM 575 O MET A 39 6.386 3.184 -2.642 1.00 0.00 O ATOM 576 CB MET A 39 4.957 4.303 0.034 1.00 0.00 C ATOM 577 CG MET A 39 4.170 3.516 1.110 1.00 0.00 C ATOM 578 SD MET A 39 3.957 1.772 0.640 1.00 0.00 S ATOM 579 CE MET A 39 3.087 2.050 -0.921 1.00 0.00 C ATOM 0 H MET A 39 7.176 4.928 1.109 1.00 0.00 H new ATOM 0 HA MET A 39 6.171 2.565 -0.175 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.131 5.320 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.356 4.377 -0.872 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.696 3.575 2.063 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.193 3.976 1.256 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.401 1.224 -1.108 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.525 2.982 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.810 2.112 -1.734 1.00 0.00 H new ATOM 589 N LYS A 40 7.435 5.023 -1.921 1.00 0.00 N ATOM 590 CA LYS A 40 7.874 5.331 -3.253 1.00 0.00 C ATOM 591 C LYS A 40 8.810 4.242 -3.672 1.00 0.00 C ATOM 592 O LYS A 40 8.735 3.725 -4.767 1.00 0.00 O ATOM 593 CB LYS A 40 8.560 6.689 -3.337 1.00 0.00 C ATOM 594 CG LYS A 40 7.522 7.795 -3.115 1.00 0.00 C ATOM 595 CD LYS A 40 8.187 9.169 -3.241 1.00 0.00 C ATOM 596 CE LYS A 40 7.161 10.261 -2.934 1.00 0.00 C ATOM 597 NZ LYS A 40 7.796 11.599 -3.104 1.00 0.00 N ATOM 0 H LYS A 40 7.723 5.680 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 40 7.011 5.388 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.348 6.758 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.035 6.810 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.718 7.703 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.071 7.689 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.029 9.242 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.585 9.301 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.303 10.166 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.789 10.150 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.315 12.291 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.800 11.543 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.716 11.897 -4.097 1.00 0.00 H new ATOM 611 N ARG A 41 9.656 3.863 -2.748 1.00 0.00 N ATOM 612 CA ARG A 41 10.592 2.797 -2.974 1.00 0.00 C ATOM 613 C ARG A 41 9.828 1.577 -3.453 1.00 0.00 C ATOM 614 O ARG A 41 10.278 0.883 -4.340 1.00 0.00 O ATOM 615 CB ARG A 41 11.322 2.510 -1.658 1.00 0.00 C ATOM 616 CG ARG A 41 12.720 1.943 -1.935 1.00 0.00 C ATOM 617 CD ARG A 41 13.451 1.739 -0.610 1.00 0.00 C ATOM 618 NE ARG A 41 13.792 3.029 -0.016 1.00 0.00 N ATOM 619 CZ ARG A 41 14.882 3.692 -0.390 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.667 3.195 -1.308 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.169 4.841 0.158 1.00 0.00 N ATOM 0 H ARG A 41 9.714 4.285 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 41 11.327 3.067 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.403 3.426 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.747 1.801 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.642 0.997 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.282 2.625 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.823 1.170 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.357 1.155 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 41 13.183 3.428 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.444 2.298 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.503 3.704 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.557 5.232 0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.006 5.349 -0.130 1.00 0.00 H new ATOM 635 N VAL A 42 8.657 1.359 -2.851 1.00 0.00 N ATOM 636 CA VAL A 42 7.778 0.242 -3.208 1.00 0.00 C ATOM 637 C VAL A 42 7.123 0.462 -4.578 1.00 0.00 C ATOM 638 O VAL A 42 7.111 -0.439 -5.418 1.00 0.00 O ATOM 639 CB VAL A 42 6.694 0.054 -2.121 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.632 -0.940 -2.604 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.353 -0.501 -0.856 1.00 0.00 C ATOM 0 H VAL A 42 8.291 1.950 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 42 8.386 -0.661 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 42 6.221 1.014 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.873 -1.066 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.165 -0.561 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.101 -1.902 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.598 -0.638 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.821 -1.460 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.111 0.199 -0.504 1.00 0.00 H new ATOM 651 N VAL A 43 6.580 1.660 -4.800 1.00 0.00 N ATOM 652 CA VAL A 43 5.934 1.974 -6.073 1.00 0.00 C ATOM 653 C VAL A 43 6.989 2.160 -7.157 1.00 0.00 C ATOM 654 O VAL A 43 6.947 1.514 -8.204 1.00 0.00 O ATOM 655 CB VAL A 43 5.085 3.240 -5.942 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.439 3.563 -7.292 1.00 0.00 C ATOM 657 CG2 VAL A 43 3.990 3.009 -4.900 1.00 0.00 C ATOM 0 H VAL A 43 6.575 2.421 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 43 5.281 1.146 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 43 5.717 4.072 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.834 4.465 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.217 3.723 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.806 2.731 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.383 3.909 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.359 2.178 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.446 2.775 -3.938 1.00 0.00 H new ATOM 667 N GLN A 44 7.950 3.031 -6.874 1.00 0.00 N ATOM 668 CA GLN A 44 9.039 3.291 -7.795 1.00 0.00 C ATOM 669 C GLN A 44 9.670 1.964 -8.203 1.00 0.00 C ATOM 670 O GLN A 44 10.125 1.811 -9.336 1.00 0.00 O ATOM 671 CB GLN A 44 10.089 4.206 -7.136 1.00 0.00 C ATOM 672 CG GLN A 44 9.477 5.581 -6.862 1.00 0.00 C ATOM 673 CD GLN A 44 9.221 6.307 -8.181 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.158 6.572 -8.934 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.004 6.638 -8.510 1.00 0.00 N ATOM 0 H GLN A 44 7.993 3.569 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 44 8.656 3.798 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.439 3.761 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.957 4.307 -7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.543 5.470 -6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.148 6.170 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.229 6.418 -7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.827 7.117 -9.393 1.00 0.00 H new ATOM 684 N HIS A 45 9.673 0.987 -7.283 1.00 0.00 N ATOM 685 CA HIS A 45 10.229 -0.328 -7.594 1.00 0.00 C ATOM 686 C HIS A 45 9.197 -1.183 -8.307 1.00 0.00 C ATOM 687 O HIS A 45 9.508 -1.865 -9.284 1.00 0.00 O ATOM 688 CB HIS A 45 10.664 -1.033 -6.300 1.00 0.00 C ATOM 689 CG HIS A 45 10.653 -2.522 -6.472 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.214 -3.154 -7.566 1.00 0.00 N ATOM 691 CD2 HIS A 45 10.094 -3.511 -5.708 1.00 0.00 C ATOM 692 CE1 HIS A 45 10.982 -4.469 -7.426 1.00 0.00 C ATOM 693 NE2 HIS A 45 10.305 -4.736 -6.314 1.00 0.00 N ATOM 0 H HIS A 45 9.303 1.084 -6.337 1.00 0.00 H new ATOM 0 HA HIS A 45 11.093 -0.192 -8.245 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.664 -0.703 -6.020 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.996 -0.752 -5.486 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.711 -2.705 -8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.569 -3.358 -4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.306 -5.219 -8.132 1.00 0.00 H new ATOM 701 N THR A 46 7.986 -1.184 -7.784 1.00 0.00 N ATOM 702 CA THR A 46 6.949 -2.015 -8.361 1.00 0.00 C ATOM 703 C THR A 46 6.885 -1.853 -9.864 1.00 0.00 C ATOM 704 O THR A 46 6.647 -2.819 -10.588 1.00 0.00 O ATOM 705 CB THR A 46 5.590 -1.687 -7.728 1.00 0.00 C ATOM 706 OG1 THR A 46 5.580 -2.128 -6.377 1.00 0.00 O ATOM 707 CG2 THR A 46 4.453 -2.370 -8.500 1.00 0.00 C ATOM 0 H THR A 46 7.700 -0.630 -6.977 1.00 0.00 H new ATOM 0 HA THR A 46 7.196 -3.055 -8.149 1.00 0.00 H new ATOM 0 HB THR A 46 5.437 -0.609 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.325 -1.715 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.498 -2.124 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.454 -2.021 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.598 -3.450 -8.482 1.00 0.00 H new ATOM 715 N LYS A 47 7.084 -0.639 -10.335 1.00 0.00 N ATOM 716 CA LYS A 47 7.028 -0.392 -11.764 1.00 0.00 C ATOM 717 C LYS A 47 8.329 -0.798 -12.449 1.00 0.00 C ATOM 718 O LYS A 47 8.322 -1.170 -13.623 1.00 0.00 O ATOM 719 CB LYS A 47 6.743 1.082 -12.045 1.00 0.00 C ATOM 720 CG LYS A 47 5.392 1.477 -11.433 1.00 0.00 C ATOM 721 CD LYS A 47 4.852 2.723 -12.136 1.00 0.00 C ATOM 722 CE LYS A 47 5.779 3.912 -11.883 1.00 0.00 C ATOM 723 NZ LYS A 47 5.139 5.155 -12.404 1.00 0.00 N ATOM 0 H LYS A 47 7.283 0.181 -9.762 1.00 0.00 H new ATOM 0 HA LYS A 47 6.218 -0.999 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.537 1.701 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.732 1.261 -13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.683 0.655 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.508 1.671 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.769 2.538 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.850 2.950 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.979 4.012 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.739 3.750 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.767 5.966 -12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.970 5.057 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.233 5.310 -11.917 1.00 0.00 H new ATOM 737 N GLY A 48 9.450 -0.727 -11.726 1.00 0.00 N ATOM 738 CA GLY A 48 10.728 -1.094 -12.312 1.00 0.00 C ATOM 739 C GLY A 48 10.609 -2.416 -13.052 1.00 0.00 C ATOM 740 O GLY A 48 11.351 -2.674 -14.000 1.00 0.00 O ATOM 0 H GLY A 48 9.493 -0.424 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.059 -0.314 -12.998 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.484 -1.173 -11.531 1.00 0.00 H new ATOM 744 N CYS A 49 9.659 -3.249 -12.621 1.00 0.00 N ATOM 745 CA CYS A 49 9.440 -4.555 -13.266 1.00 0.00 C ATOM 746 C CYS A 49 8.076 -4.581 -13.975 1.00 0.00 C ATOM 747 O CYS A 49 7.075 -4.120 -13.426 1.00 0.00 O ATOM 748 CB CYS A 49 9.551 -5.665 -12.220 1.00 0.00 C ATOM 749 SG CYS A 49 8.867 -7.201 -12.886 1.00 0.00 S ATOM 0 H CYS A 49 9.034 -3.051 -11.839 1.00 0.00 H new ATOM 0 HA CYS A 49 10.205 -4.720 -14.025 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.594 -5.811 -11.940 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.015 -5.380 -11.315 1.00 0.00 H new ATOM 0 HG CYS A 49 8.965 -8.142 -11.995 1.00 0.00 H new ATOM 755 N LYS A 50 8.049 -5.108 -15.207 1.00 0.00 N ATOM 756 CA LYS A 50 6.810 -5.172 -15.988 1.00 0.00 C ATOM 757 C LYS A 50 5.958 -6.383 -15.602 1.00 0.00 C ATOM 758 O LYS A 50 4.731 -6.291 -15.541 1.00 0.00 O ATOM 759 CB LYS A 50 7.148 -5.230 -17.484 1.00 0.00 C ATOM 760 CG LYS A 50 7.938 -3.978 -17.906 1.00 0.00 C ATOM 761 CD LYS A 50 6.991 -2.790 -18.135 1.00 0.00 C ATOM 762 CE LYS A 50 7.802 -1.573 -18.581 1.00 0.00 C ATOM 763 NZ LYS A 50 6.879 -0.435 -18.852 1.00 0.00 N ATOM 0 H LYS A 50 8.866 -5.493 -15.680 1.00 0.00 H new ATOM 0 HA LYS A 50 6.229 -4.275 -15.771 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.733 -6.125 -17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.230 -5.302 -18.068 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.667 -3.725 -17.136 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.497 -4.185 -18.819 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.248 -3.043 -18.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.447 -2.562 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.520 -1.297 -17.808 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.375 -1.812 -19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.429 0.394 -19.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.211 -0.701 -19.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.352 -0.202 -17.986 1.00 0.00 H new ATOM 777 N ARG A 51 6.608 -7.509 -15.333 1.00 0.00 N ATOM 778 CA ARG A 51 5.893 -8.717 -14.942 1.00 0.00 C ATOM 779 C ARG A 51 5.219 -8.495 -13.605 1.00 0.00 C ATOM 780 O ARG A 51 4.086 -8.919 -13.379 1.00 0.00 O ATOM 781 CB ARG A 51 6.865 -9.903 -14.851 1.00 0.00 C ATOM 782 CG ARG A 51 6.161 -11.134 -14.220 1.00 0.00 C ATOM 783 CD ARG A 51 6.554 -11.281 -12.739 1.00 0.00 C ATOM 784 NE ARG A 51 7.953 -11.679 -12.633 1.00 0.00 N ATOM 785 CZ ARG A 51 8.322 -12.943 -12.827 1.00 0.00 C ATOM 786 NH1 ARG A 51 7.428 -13.842 -13.138 1.00 0.00 N ATOM 787 NH2 ARG A 51 9.577 -13.282 -12.716 1.00 0.00 N ATOM 0 H ARG A 51 7.622 -7.611 -15.378 1.00 0.00 H new ATOM 0 HA ARG A 51 5.137 -8.944 -15.694 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.233 -10.157 -15.845 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.732 -9.625 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.080 -11.025 -14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.435 -12.037 -14.766 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.395 -10.338 -12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.918 -12.024 -12.257 1.00 0.00 H new ATOM 0 HE ARG A 51 8.659 -10.978 -12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.448 -13.575 -13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.710 -14.811 -13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.276 -12.578 -12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.859 -14.251 -12.865 1.00 0.00 H new ATOM 801 N LYS A 52 5.933 -7.815 -12.730 1.00 0.00 N ATOM 802 CA LYS A 52 5.439 -7.509 -11.422 1.00 0.00 C ATOM 803 C LYS A 52 4.251 -6.574 -11.517 1.00 0.00 C ATOM 804 O LYS A 52 3.243 -6.751 -10.835 1.00 0.00 O ATOM 805 CB LYS A 52 6.564 -6.858 -10.624 1.00 0.00 C ATOM 806 CG LYS A 52 6.021 -6.324 -9.313 1.00 0.00 C ATOM 807 CD LYS A 52 7.168 -5.925 -8.386 1.00 0.00 C ATOM 808 CE LYS A 52 6.593 -5.436 -7.050 1.00 0.00 C ATOM 809 NZ LYS A 52 7.703 -4.995 -6.156 1.00 0.00 N ATOM 0 H LYS A 52 6.872 -7.463 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 52 5.111 -8.421 -10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.354 -7.584 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.010 -6.048 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.380 -5.463 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.403 -7.082 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.830 -6.775 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.767 -5.139 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.901 -4.611 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.025 -6.235 -6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.685 -5.554 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.614 -5.136 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.585 -3.987 -5.927 1.00 0.00 H new ATOM 823 N THR A 53 4.400 -5.562 -12.352 1.00 0.00 N ATOM 824 CA THR A 53 3.360 -4.567 -12.516 1.00 0.00 C ATOM 825 C THR A 53 2.023 -5.215 -12.863 1.00 0.00 C ATOM 826 O THR A 53 0.981 -4.563 -12.813 1.00 0.00 O ATOM 827 CB THR A 53 3.777 -3.557 -13.606 1.00 0.00 C ATOM 828 OG1 THR A 53 4.724 -2.650 -13.063 1.00 0.00 O ATOM 829 CG2 THR A 53 2.566 -2.765 -14.140 1.00 0.00 C ATOM 0 H THR A 53 5.230 -5.409 -12.925 1.00 0.00 H new ATOM 0 HA THR A 53 3.231 -4.040 -11.571 1.00 0.00 H new ATOM 0 HB THR A 53 4.211 -4.114 -14.436 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.623 -3.033 -13.136 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.899 -2.064 -14.906 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.841 -3.456 -14.571 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.101 -2.215 -13.322 1.00 0.00 H new ATOM 837 N ASN A 54 2.053 -6.492 -13.225 1.00 0.00 N ATOM 838 CA ASN A 54 0.830 -7.205 -13.591 1.00 0.00 C ATOM 839 C ASN A 54 0.295 -8.025 -12.420 1.00 0.00 C ATOM 840 O ASN A 54 -0.641 -8.806 -12.590 1.00 0.00 O ATOM 841 CB ASN A 54 1.111 -8.136 -14.770 1.00 0.00 C ATOM 842 CG ASN A 54 1.397 -7.316 -16.023 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.091 -6.125 -16.069 1.00 0.00 O ATOM 844 ND2 ASN A 54 1.966 -7.887 -17.049 1.00 0.00 N ATOM 0 H ASN A 54 2.903 -7.054 -13.274 1.00 0.00 H new ATOM 0 HA ASN A 54 0.078 -6.466 -13.867 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.962 -8.778 -14.543 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.256 -8.790 -14.940 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.158 -7.346 -17.892 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.219 -8.874 -17.008 1.00 0.00 H new ATOM 851 N GLY A 55 0.895 -7.869 -11.234 1.00 0.00 N ATOM 852 CA GLY A 55 0.459 -8.634 -10.069 1.00 0.00 C ATOM 853 C GLY A 55 1.452 -9.751 -9.792 1.00 0.00 C ATOM 854 O GLY A 55 1.288 -10.530 -8.852 1.00 0.00 O ATOM 0 H GLY A 55 1.671 -7.230 -11.061 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.380 -7.980 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.533 -9.051 -10.245 1.00 0.00 H new ATOM 858 N GLY A 56 2.475 -9.833 -10.639 1.00 0.00 N ATOM 859 CA GLY A 56 3.485 -10.868 -10.508 1.00 0.00 C ATOM 860 C GLY A 56 3.869 -11.092 -9.054 1.00 0.00 C ATOM 861 O GLY A 56 3.730 -12.203 -8.544 1.00 0.00 O ATOM 0 H GLY A 56 2.622 -9.194 -11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.111 -11.799 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.370 -10.589 -11.080 1.00 0.00 H new ATOM 865 N CYS A 57 4.394 -10.055 -8.388 1.00 0.00 N ATOM 866 CA CYS A 57 4.826 -10.205 -7.019 1.00 0.00 C ATOM 867 C CYS A 57 3.690 -9.931 -6.024 1.00 0.00 C ATOM 868 O CYS A 57 2.700 -9.284 -6.370 1.00 0.00 O ATOM 869 CB CYS A 57 6.001 -9.243 -6.768 1.00 0.00 C ATOM 870 SG CYS A 57 7.400 -10.128 -6.025 1.00 0.00 S ATOM 0 H CYS A 57 4.523 -9.122 -8.780 1.00 0.00 H new ATOM 0 HA CYS A 57 5.140 -11.237 -6.863 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.311 -8.785 -7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.683 -8.435 -6.109 1.00 0.00 H new ATOM 0 HG CYS A 57 8.172 -10.586 -6.965 1.00 0.00 H new ATOM 876 N PRO A 58 3.827 -10.377 -4.791 1.00 0.00 N ATOM 877 CA PRO A 58 2.802 -10.132 -3.731 1.00 0.00 C ATOM 878 C PRO A 58 2.608 -8.635 -3.486 1.00 0.00 C ATOM 879 O PRO A 58 1.512 -8.188 -3.149 1.00 0.00 O ATOM 880 CB PRO A 58 3.381 -10.828 -2.482 1.00 0.00 C ATOM 881 CG PRO A 58 4.365 -11.811 -3.017 1.00 0.00 C ATOM 882 CD PRO A 58 4.957 -11.159 -4.255 1.00 0.00 C ATOM 0 HA PRO A 58 1.819 -10.515 -4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.860 -10.111 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.599 -11.324 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.139 -12.032 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.881 -12.756 -3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.807 -10.523 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.311 -11.900 -4.972 1.00 0.00 H new ATOM 890 N ILE A 59 3.680 -7.865 -3.679 1.00 0.00 N ATOM 891 CA ILE A 59 3.605 -6.424 -3.499 1.00 0.00 C ATOM 892 C ILE A 59 2.649 -5.856 -4.520 1.00 0.00 C ATOM 893 O ILE A 59 1.775 -5.057 -4.192 1.00 0.00 O ATOM 894 CB ILE A 59 5.015 -5.767 -3.635 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.708 -5.740 -2.259 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.924 -4.331 -4.213 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.044 -4.993 -2.346 1.00 0.00 C ATOM 0 H ILE A 59 4.597 -8.214 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 59 3.241 -6.205 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 59 5.602 -6.366 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.060 -5.255 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.876 -6.759 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.925 -3.907 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.464 -4.365 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.319 -3.711 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.520 -4.983 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.696 -5.495 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.867 -3.969 -2.674 1.00 0.00 H new ATOM 909 N CYS A 60 2.820 -6.270 -5.763 1.00 0.00 N ATOM 910 CA CYS A 60 1.970 -5.786 -6.813 1.00 0.00 C ATOM 911 C CYS A 60 0.593 -6.405 -6.701 1.00 0.00 C ATOM 912 O CYS A 60 -0.418 -5.721 -6.831 1.00 0.00 O ATOM 913 CB CYS A 60 2.608 -6.078 -8.161 1.00 0.00 C ATOM 914 SG CYS A 60 2.033 -4.857 -9.367 1.00 0.00 S ATOM 0 H CYS A 60 3.535 -6.934 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 60 1.852 -4.706 -6.719 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.694 -6.042 -8.078 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.347 -7.084 -8.491 1.00 0.00 H new ATOM 0 HG CYS A 60 1.243 -5.433 -10.224 1.00 0.00 H new ATOM 920 N LYS A 61 0.554 -7.697 -6.432 1.00 0.00 N ATOM 921 CA LYS A 61 -0.726 -8.369 -6.286 1.00 0.00 C ATOM 922 C LYS A 61 -1.497 -7.742 -5.130 1.00 0.00 C ATOM 923 O LYS A 61 -2.689 -7.454 -5.244 1.00 0.00 O ATOM 924 CB LYS A 61 -0.515 -9.858 -6.026 1.00 0.00 C ATOM 925 CG LYS A 61 -1.798 -10.618 -6.362 1.00 0.00 C ATOM 926 CD LYS A 61 -1.681 -12.063 -5.887 1.00 0.00 C ATOM 927 CE LYS A 61 -0.582 -12.785 -6.670 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.744 -14.258 -6.506 1.00 0.00 N ATOM 0 H LYS A 61 1.374 -8.292 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.297 -8.256 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.311 -10.231 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.245 -10.022 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.652 -10.137 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.976 -10.592 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.455 -12.087 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.633 -12.577 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.636 -12.517 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.399 -12.474 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.002 -14.751 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.672 -14.505 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.675 -14.547 -6.868 1.00 0.00 H new ATOM 942 N GLN A 62 -0.799 -7.524 -4.022 1.00 0.00 N ATOM 943 CA GLN A 62 -1.412 -6.918 -2.847 1.00 0.00 C ATOM 944 C GLN A 62 -1.761 -5.454 -3.118 1.00 0.00 C ATOM 945 O GLN A 62 -2.835 -4.984 -2.739 1.00 0.00 O ATOM 946 CB GLN A 62 -0.456 -7.004 -1.652 1.00 0.00 C ATOM 947 CG GLN A 62 -1.130 -6.425 -0.404 1.00 0.00 C ATOM 948 CD GLN A 62 -0.214 -6.591 0.805 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.556 -7.549 0.874 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.250 -5.708 1.765 1.00 0.00 N ATOM 0 H GLN A 62 0.188 -7.757 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.328 -7.463 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.173 -8.042 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.461 -6.456 -1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.355 -5.370 -0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.079 -6.931 -0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.889 -4.915 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.361 -5.810 2.575 1.00 0.00 H new ATOM 959 N LEU A 63 -0.842 -4.736 -3.766 1.00 0.00 N ATOM 960 CA LEU A 63 -1.064 -3.321 -4.069 1.00 0.00 C ATOM 961 C LEU A 63 -2.239 -3.156 -5.025 1.00 0.00 C ATOM 962 O LEU A 63 -3.082 -2.279 -4.837 1.00 0.00 O ATOM 963 CB LEU A 63 0.201 -2.697 -4.663 1.00 0.00 C ATOM 964 CG LEU A 63 0.020 -1.188 -4.855 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.201 -0.481 -3.499 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.287 -0.641 -5.516 1.00 0.00 C ATOM 0 H LEU A 63 0.053 -5.105 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.302 -2.803 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.049 -2.886 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.429 -3.166 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.855 -1.003 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.327 0.589 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.095 -0.882 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.662 -0.651 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.185 0.434 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.146 -0.839 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.434 -1.128 -6.480 1.00 0.00 H new ATOM 978 N ILE A 64 -2.309 -4.016 -6.037 1.00 0.00 N ATOM 979 CA ILE A 64 -3.414 -3.952 -6.986 1.00 0.00 C ATOM 980 C ILE A 64 -4.731 -4.170 -6.244 1.00 0.00 C ATOM 981 O ILE A 64 -5.721 -3.487 -6.501 1.00 0.00 O ATOM 982 CB ILE A 64 -3.230 -4.996 -8.099 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.080 -4.555 -9.014 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.515 -5.132 -8.924 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.703 -5.695 -9.965 1.00 0.00 C ATOM 0 H ILE A 64 -1.627 -4.752 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.431 -2.968 -7.455 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.001 -5.961 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.376 -3.676 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.216 -4.269 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.367 -5.875 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.332 -5.446 -8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.760 -4.171 -9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.886 -5.374 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.388 -6.563 -9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.566 -5.960 -10.576 1.00 0.00 H new ATOM 997 N ALA A 65 -4.732 -5.117 -5.317 1.00 0.00 N ATOM 998 CA ALA A 65 -5.924 -5.399 -4.533 1.00 0.00 C ATOM 999 C ALA A 65 -6.245 -4.215 -3.628 1.00 0.00 C ATOM 1000 O ALA A 65 -7.387 -3.758 -3.568 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.713 -6.654 -3.685 1.00 0.00 C ATOM 0 H ALA A 65 -3.926 -5.699 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.759 -5.567 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.612 -6.855 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.506 -7.503 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.871 -6.500 -3.011 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.224 -3.696 -2.954 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.420 -2.541 -2.090 1.00 0.00 C ATOM 1009 C LEU A 66 -5.946 -1.407 -2.950 1.00 0.00 C ATOM 1010 O LEU A 66 -6.869 -0.683 -2.572 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.091 -2.147 -1.425 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.238 -0.823 -0.663 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.381 -0.920 0.352 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -2.928 -0.530 0.076 1.00 0.00 C ATOM 0 H LEU A 66 -4.268 -4.051 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.131 -2.770 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.774 -2.933 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.313 -2.052 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.461 -0.023 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.475 0.026 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.313 -1.136 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.169 -1.719 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.020 0.409 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.717 -1.338 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.113 -0.453 -0.644 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.365 -1.299 -4.134 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.776 -0.299 -5.095 1.00 0.00 C ATOM 1028 C ALA A 67 -7.208 -0.571 -5.526 1.00 0.00 C ATOM 1029 O ALA A 67 -7.979 0.355 -5.756 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.867 -0.352 -6.319 1.00 0.00 C ATOM 0 H ALA A 67 -4.602 -1.898 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.708 0.687 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.182 0.403 -7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.838 -0.159 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.931 -1.339 -6.777 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.562 -1.853 -5.636 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.916 -2.210 -6.044 1.00 0.00 C ATOM 1038 C ALA A 68 -9.927 -1.533 -5.127 1.00 0.00 C ATOM 1039 O ALA A 68 -10.881 -0.908 -5.591 1.00 0.00 O ATOM 1040 CB ALA A 68 -9.108 -3.727 -5.995 1.00 0.00 C ATOM 0 H ALA A 68 -6.944 -2.643 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.072 -1.871 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.124 -3.975 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.398 -4.206 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.940 -4.082 -4.978 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.704 -1.650 -3.823 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.598 -1.026 -2.854 1.00 0.00 C ATOM 1048 C TYR A 69 -10.598 0.496 -3.027 1.00 0.00 C ATOM 1049 O TYR A 69 -11.651 1.132 -2.974 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.169 -1.383 -1.429 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.449 -2.845 -1.167 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.748 -3.263 -0.850 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.412 -3.781 -1.240 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.007 -4.617 -0.607 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.671 -5.136 -0.998 1.00 0.00 C ATOM 1056 CZ TYR A 69 -10.970 -5.554 -0.681 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.227 -6.889 -0.442 1.00 0.00 O ATOM 0 H TYR A 69 -8.923 -2.164 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.606 -1.401 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.107 -1.176 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.707 -0.765 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.549 -2.541 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.410 -3.458 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.008 -4.939 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.870 -5.858 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.398 -7.404 -0.535 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.413 1.077 -3.229 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.304 2.525 -3.404 1.00 0.00 C ATOM 1069 C HIS A 70 -9.949 2.978 -4.715 1.00 0.00 C ATOM 1070 O HIS A 70 -10.697 3.956 -4.744 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.833 2.943 -3.385 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.739 4.435 -3.537 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.517 5.304 -2.787 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.960 5.229 -4.342 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.195 6.558 -3.156 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.250 6.568 -4.100 1.00 0.00 N ATOM 0 H HIS A 70 -8.527 0.574 -3.275 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.833 3.003 -2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.366 2.631 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.292 2.449 -4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.233 4.869 -5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.646 7.447 -2.740 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.831 7.383 -4.548 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.652 2.264 -5.795 1.00 0.00 N ATOM 1085 CA ALA A 71 -10.204 2.604 -7.104 1.00 0.00 C ATOM 1086 C ALA A 71 -11.723 2.485 -7.086 1.00 0.00 C ATOM 1087 O ALA A 71 -12.415 3.116 -7.884 1.00 0.00 O ATOM 1088 CB ALA A 71 -9.623 1.690 -8.187 1.00 0.00 C ATOM 0 H ALA A 71 -9.036 1.451 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.932 3.635 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.046 1.958 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.540 1.807 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.869 0.653 -7.958 1.00 0.00 H new ATOM 1094 N LYS A 72 -12.238 1.689 -6.153 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.678 1.523 -6.021 1.00 0.00 C ATOM 1096 C LYS A 72 -14.271 2.750 -5.338 1.00 0.00 C ATOM 1097 O LYS A 72 -15.172 3.393 -5.879 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.995 0.255 -5.211 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.924 -0.978 -6.129 1.00 0.00 C ATOM 1100 CD LYS A 72 -14.009 -2.278 -5.308 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.867 -3.476 -6.246 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.905 -4.733 -5.448 1.00 0.00 N ATOM 0 H LYS A 72 -11.684 1.154 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.120 1.417 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.286 0.150 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.988 0.334 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.739 -0.946 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.993 -0.961 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.223 -2.297 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.961 -2.326 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.672 -3.474 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.930 -3.411 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.809 -5.551 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.123 -4.733 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.810 -4.794 -4.940 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.757 3.084 -4.157 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.251 4.243 -3.447 1.00 0.00 C ATOM 1118 C HIS A 73 -14.023 5.495 -4.276 1.00 0.00 C ATOM 1119 O HIS A 73 -14.927 6.316 -4.425 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.562 4.365 -2.083 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.116 5.545 -1.333 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -13.525 6.797 -1.388 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -15.201 5.678 -0.502 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -14.249 7.622 -0.610 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.282 6.991 -0.046 1.00 0.00 N ATOM 0 H HIS A 73 -13.011 2.573 -3.684 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.322 4.126 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.714 3.453 -1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.487 4.481 -2.218 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.887 4.885 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.022 8.667 -0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.980 7.386 0.584 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.833 5.621 -4.857 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.557 6.762 -5.708 1.00 0.00 C ATOM 1135 C CYS A 74 -13.232 6.513 -7.045 1.00 0.00 C ATOM 1136 O CYS A 74 -12.755 5.718 -7.853 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.051 6.933 -5.900 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.734 8.442 -6.848 1.00 0.00 S ATOM 0 H CYS A 74 -12.063 4.960 -4.755 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.939 7.675 -5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.554 6.987 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.639 6.069 -6.422 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.850 8.189 -8.118 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.365 7.170 -7.256 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.126 6.982 -8.485 1.00 0.00 C ATOM 1146 C GLN A 75 -14.544 7.851 -9.591 1.00 0.00 C ATOM 1147 O GLN A 75 -15.003 7.844 -10.732 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.599 7.348 -8.232 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.499 6.839 -9.369 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.504 5.315 -9.395 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.471 4.691 -10.541 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -17.543 4.675 -8.345 1.00 0.00 N flip ATOM 0 H GLN A 75 -14.775 7.833 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.067 5.939 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.926 6.918 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.698 8.430 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.515 7.211 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -17.144 7.225 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.569 5.164 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.550 3.655 -8.369 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.520 8.602 -9.231 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.848 9.499 -10.172 1.00 0.00 C ATOM 1163 C GLU A 76 -11.462 8.998 -10.489 1.00 0.00 C ATOM 1164 O GLU A 76 -10.772 8.446 -9.632 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.766 10.910 -9.580 1.00 0.00 C ATOM 1166 CG GLU A 76 -12.089 11.852 -10.579 1.00 0.00 C ATOM 1167 CD GLU A 76 -12.130 13.284 -10.055 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.894 13.537 -9.140 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.396 14.107 -10.578 1.00 0.00 O ATOM 0 H GLU A 76 -13.128 8.613 -8.289 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.427 9.527 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.766 11.274 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.204 10.891 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.056 11.544 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.592 11.795 -11.544 1.00 0.00 H new ATOM 1176 N ASN A 77 -11.052 9.204 -11.733 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.738 8.780 -12.156 1.00 0.00 C ATOM 1178 C ASN A 77 -8.727 9.816 -11.699 1.00 0.00 C ATOM 1179 O ASN A 77 -8.443 10.775 -12.417 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.697 8.632 -13.685 1.00 0.00 C ATOM 1181 CG ASN A 77 -8.259 8.478 -14.172 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -7.532 7.599 -13.707 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -7.806 9.291 -15.086 1.00 0.00 N ATOM 0 H ASN A 77 -11.609 9.658 -12.456 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.499 7.812 -11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.284 7.765 -13.988 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.153 9.505 -14.152 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.846 9.200 -15.419 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.412 10.017 -15.468 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.205 9.634 -10.486 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.244 10.586 -9.931 1.00 0.00 C ATOM 1192 C LYS A 78 -6.266 11.053 -11.015 1.00 0.00 C ATOM 1193 O LYS A 78 -6.234 12.242 -11.320 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.490 9.955 -8.745 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.399 9.799 -7.515 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.583 11.159 -6.815 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.333 10.978 -5.498 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.677 12.318 -4.951 1.00 0.00 N ATOM 0 H LYS A 78 -8.428 8.847 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.786 11.458 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.102 8.979 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.632 10.575 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.368 9.403 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.964 9.080 -6.821 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.610 11.614 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.134 11.839 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.238 10.392 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.718 10.427 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.189 12.205 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.805 12.860 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.278 12.826 -5.630 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.525 10.098 -11.609 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.567 10.361 -12.713 1.00 0.00 C ATOM 1214 C CYS A 79 -3.120 9.966 -12.369 1.00 0.00 C ATOM 1215 O CYS A 79 -2.482 9.269 -13.159 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.613 11.812 -13.233 1.00 0.00 C ATOM 1217 SG CYS A 79 -3.457 11.981 -14.617 1.00 0.00 S ATOM 0 H CYS A 79 -5.571 9.115 -11.339 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.907 9.711 -13.520 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.624 12.065 -13.554 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.349 12.506 -12.435 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.490 13.201 -15.064 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.571 10.372 -11.243 1.00 0.00 N ATOM 1224 CA PRO A 80 -1.176 10.016 -10.879 1.00 0.00 C ATOM 1225 C PRO A 80 -1.069 8.591 -10.340 1.00 0.00 C ATOM 1226 O PRO A 80 0.028 8.120 -10.064 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.816 11.040 -9.808 1.00 0.00 C ATOM 1228 CG PRO A 80 -2.107 11.314 -9.116 1.00 0.00 C ATOM 1229 CD PRO A 80 -3.192 11.189 -10.191 1.00 0.00 C ATOM 0 HA PRO A 80 -0.505 10.039 -11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.069 10.648 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.399 11.946 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.275 10.604 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.109 12.310 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.090 10.713 -9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.490 12.166 -10.571 1.00 0.00 H new ATOM 1237 N VAL A 81 -2.216 7.914 -10.193 1.00 0.00 N ATOM 1238 CA VAL A 81 -2.239 6.533 -9.696 1.00 0.00 C ATOM 1239 C VAL A 81 -2.317 5.562 -10.889 1.00 0.00 C ATOM 1240 O VAL A 81 -3.375 5.443 -11.509 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.458 6.313 -8.791 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.295 4.988 -8.042 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.555 7.451 -7.773 1.00 0.00 C ATOM 0 H VAL A 81 -3.135 8.299 -10.410 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.330 6.350 -9.123 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.362 6.290 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.159 4.826 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.220 4.171 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.390 5.022 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.422 7.292 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.651 7.472 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.661 8.401 -8.298 1.00 0.00 H new ATOM 1253 N PRO A 82 -1.242 4.883 -11.246 1.00 0.00 N ATOM 1254 CA PRO A 82 -1.240 3.941 -12.415 1.00 0.00 C ATOM 1255 C PRO A 82 -2.375 2.917 -12.384 1.00 0.00 C ATOM 1256 O PRO A 82 -3.067 2.706 -13.381 1.00 0.00 O ATOM 1257 CB PRO A 82 0.112 3.219 -12.283 1.00 0.00 C ATOM 1258 CG PRO A 82 0.996 4.174 -11.561 1.00 0.00 C ATOM 1259 CD PRO A 82 0.088 4.935 -10.599 1.00 0.00 C ATOM 0 HA PRO A 82 -1.383 4.482 -13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.007 2.285 -11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.521 2.967 -13.261 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.783 3.647 -11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.487 4.855 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.071 4.470 -9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.425 5.962 -10.461 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.524 2.263 -11.250 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.536 1.220 -11.098 1.00 0.00 C ATOM 1269 C PHE A 83 -4.941 1.747 -11.382 1.00 0.00 C ATOM 1270 O PHE A 83 -5.717 1.104 -12.090 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.482 0.646 -9.675 1.00 0.00 C ATOM 1272 CG PHE A 83 -2.056 0.690 -9.168 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -1.028 0.096 -9.912 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.763 1.333 -7.959 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.294 0.149 -9.446 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.445 1.384 -7.494 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.584 0.792 -8.236 1.00 0.00 C ATOM 0 H PHE A 83 -1.961 2.430 -10.416 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.317 0.438 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.132 1.220 -9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.849 -0.380 -9.671 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.253 -0.402 -10.843 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.556 1.790 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.088 -0.306 -10.020 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.221 1.881 -6.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.601 0.831 -7.875 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.275 2.908 -10.835 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.601 3.466 -11.059 1.00 0.00 C ATOM 1289 C CYS A 84 -6.854 3.593 -12.556 1.00 0.00 C ATOM 1290 O CYS A 84 -7.905 3.208 -13.056 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.738 4.833 -10.366 1.00 0.00 C ATOM 1292 SG CYS A 84 -6.087 6.153 -11.428 1.00 0.00 S ATOM 0 H CYS A 84 -4.662 3.471 -10.246 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.346 2.797 -10.629 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.786 5.027 -10.136 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.200 4.822 -9.418 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.800 6.016 -11.551 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.865 4.114 -13.264 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.971 4.269 -14.707 1.00 0.00 C ATOM 1300 C LEU A 85 -6.112 2.900 -15.370 1.00 0.00 C ATOM 1301 O LEU A 85 -6.794 2.745 -16.368 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.717 4.977 -15.252 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.800 6.498 -14.990 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.394 7.114 -15.006 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.646 7.186 -16.074 1.00 0.00 C ATOM 0 H LEU A 85 -4.983 4.436 -12.866 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.852 4.870 -14.933 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.825 4.568 -14.777 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.622 4.790 -16.322 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.262 6.647 -14.014 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.464 8.186 -14.820 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.785 6.650 -14.230 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.933 6.944 -15.979 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.694 8.256 -15.874 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.191 7.020 -17.051 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.654 6.770 -16.067 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.449 1.906 -14.811 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.497 0.568 -15.373 1.00 0.00 C ATOM 1319 C ASN A 86 -6.887 -0.038 -15.247 1.00 0.00 C ATOM 1320 O ASN A 86 -7.320 -0.791 -16.114 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.476 -0.325 -14.678 1.00 0.00 C ATOM 1322 CG ASN A 86 -3.066 0.188 -14.956 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.200 0.127 -14.084 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -2.782 0.696 -16.126 1.00 0.00 N ATOM 0 H ASN A 86 -4.874 1.997 -13.974 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.256 0.640 -16.434 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.663 -0.339 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.576 -1.351 -15.032 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.842 1.042 -16.317 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.501 0.746 -16.848 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.573 0.279 -14.149 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.914 -0.254 -13.903 1.00 0.00 C ATOM 1333 C ILE A 87 -10.007 0.712 -14.360 1.00 0.00 C ATOM 1334 O ILE A 87 -10.920 0.324 -15.089 1.00 0.00 O ATOM 1335 CB ILE A 87 -9.066 -0.550 -12.412 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -8.058 -1.632 -12.020 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.484 -1.045 -12.126 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.980 -1.734 -10.498 1.00 0.00 C ATOM 0 H ILE A 87 -7.225 0.899 -13.418 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.030 -1.169 -14.484 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.883 0.357 -11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.356 -2.591 -12.444 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.076 -1.394 -12.429 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.588 -1.255 -11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.202 -0.279 -12.417 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.674 -1.955 -12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.261 -2.505 -10.221 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.662 -0.777 -10.085 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.961 -1.993 -10.100 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.927 1.964 -13.916 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.947 2.953 -14.286 1.00 0.00 C ATOM 1352 C LYS A 88 -10.877 3.351 -15.762 1.00 0.00 C ATOM 1353 O LYS A 88 -11.913 3.516 -16.407 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.867 4.206 -13.385 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.509 3.944 -12.007 1.00 0.00 C ATOM 1356 CD LYS A 88 -13.044 3.993 -12.108 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.647 3.828 -10.715 1.00 0.00 C ATOM 1358 NZ LYS A 88 -15.129 3.749 -10.831 1.00 0.00 N ATOM 0 H LYS A 88 -9.185 2.317 -13.312 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.911 2.470 -14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.825 4.497 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.372 5.040 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.194 2.970 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.162 4.688 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.361 4.940 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.402 3.203 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.258 2.926 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.364 4.668 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.502 3.121 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.537 4.699 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.384 3.372 -11.766 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.672 3.517 -16.301 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.537 3.909 -17.708 1.00 0.00 C ATOM 1374 C GLN A 89 -9.665 2.691 -18.614 1.00 0.00 C ATOM 1375 O GLN A 89 -10.094 2.812 -19.760 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.181 4.585 -17.954 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.261 5.492 -19.183 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.887 6.087 -19.467 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.881 5.379 -19.417 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.784 7.352 -19.766 1.00 0.00 N ATOM 0 H GLN A 89 -8.792 3.391 -15.802 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.335 4.615 -17.938 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.893 5.169 -17.080 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.410 3.829 -18.100 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.608 4.923 -20.046 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.986 6.288 -19.014 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.619 7.936 -19.807 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.868 7.757 -19.959 1.00 0.00 H new ATOM 1389 N LYS A 90 -9.261 1.529 -18.084 1.00 0.00 N ATOM 1390 CA LYS A 90 -9.299 0.256 -18.830 1.00 0.00 C ATOM 1391 C LYS A 90 -10.287 0.305 -20.003 1.00 0.00 C ATOM 1392 O LYS A 90 -11.458 0.537 -19.755 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.689 -0.900 -17.875 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.870 -2.162 -18.193 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.178 -3.246 -17.162 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.306 -4.471 -17.440 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.635 -5.548 -16.466 1.00 0.00 N ATOM 1398 OXT LYS A 90 -9.853 0.110 -21.127 1.00 0.00 O ATOM 0 H LYS A 90 -8.901 1.441 -17.134 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.303 0.086 -19.239 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.518 -0.599 -16.841 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.753 -1.116 -17.972 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.109 -2.520 -19.194 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.805 -1.929 -18.183 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.989 -2.871 -16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.232 -3.518 -17.208 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.471 -4.824 -18.458 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.252 -4.205 -17.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.042 -6.381 -16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.456 -5.208 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.637 -5.808 -16.562 1.00 0.00 H new TER 1412 LYS A 90 ATOM 1413 N MET B 1 -9.715 -23.158 13.635 1.00 0.00 N ATOM 1414 CA MET B 1 -10.791 -24.105 13.225 1.00 0.00 C ATOM 1415 C MET B 1 -10.481 -25.489 13.783 1.00 0.00 C ATOM 1416 O MET B 1 -11.199 -25.998 14.644 1.00 0.00 O ATOM 1417 CB MET B 1 -10.859 -24.165 11.698 1.00 0.00 C ATOM 1418 CG MET B 1 -11.309 -22.809 11.152 1.00 0.00 C ATOM 1419 SD MET B 1 -11.492 -22.913 9.352 1.00 0.00 S ATOM 1420 CE MET B 1 -9.735 -23.058 8.935 1.00 0.00 C ATOM 0 H1 MET B 1 -10.049 -22.180 13.515 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.471 -23.321 14.633 1.00 0.00 H new ATOM 0 H3 MET B 1 -8.874 -23.311 13.043 1.00 0.00 H new ATOM 0 HA MET B 1 -11.751 -23.765 13.614 1.00 0.00 H new ATOM 0 HB2 MET B 1 -9.883 -24.427 11.290 1.00 0.00 H new ATOM 0 HB3 MET B 1 -11.555 -24.944 11.385 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.255 -22.517 11.608 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.580 -22.041 11.410 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.574 -22.715 7.913 1.00 0.00 H new ATOM 0 HE2 MET B 1 -9.147 -22.447 9.620 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.425 -24.100 9.021 1.00 0.00 H new ATOM 1432 N GLU B 2 -9.409 -26.092 13.284 1.00 0.00 N ATOM 1433 CA GLU B 2 -9.012 -27.418 13.736 1.00 0.00 C ATOM 1434 C GLU B 2 -8.556 -27.369 15.190 1.00 0.00 C ATOM 1435 O GLU B 2 -8.772 -28.320 15.941 1.00 0.00 O ATOM 1436 CB GLU B 2 -7.884 -27.959 12.852 1.00 0.00 C ATOM 1437 CG GLU B 2 -7.579 -29.408 13.239 1.00 0.00 C ATOM 1438 CD GLU B 2 -6.537 -29.993 12.291 1.00 0.00 C ATOM 1439 OE1 GLU B 2 -6.313 -29.398 11.250 1.00 0.00 O ATOM 1440 OE2 GLU B 2 -5.980 -31.027 12.618 1.00 0.00 O ATOM 0 H GLU B 2 -8.803 -25.687 12.571 1.00 0.00 H new ATOM 0 HA GLU B 2 -9.872 -28.083 13.661 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -8.173 -27.905 11.802 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.991 -27.345 12.968 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.213 -29.450 14.265 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.492 -30.003 13.201 1.00 0.00 H new ATOM 1447 N GLU B 3 -7.946 -26.246 15.585 1.00 0.00 N ATOM 1448 CA GLU B 3 -7.477 -26.061 16.965 1.00 0.00 C ATOM 1449 C GLU B 3 -6.531 -24.856 17.038 1.00 0.00 C ATOM 1450 O GLU B 3 -6.639 -24.035 17.949 1.00 0.00 O ATOM 1451 CB GLU B 3 -6.760 -27.337 17.511 1.00 0.00 C ATOM 1452 CG GLU B 3 -7.599 -27.991 18.619 1.00 0.00 C ATOM 1453 CD GLU B 3 -6.996 -29.339 19.000 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -7.274 -30.306 18.310 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -6.267 -29.385 19.976 1.00 0.00 O ATOM 0 H GLU B 3 -7.765 -25.452 14.971 1.00 0.00 H new ATOM 0 HA GLU B 3 -8.351 -25.880 17.591 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -6.601 -28.047 16.700 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -5.777 -27.071 17.900 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -7.635 -27.339 19.492 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -8.626 -28.125 18.278 1.00 0.00 H new ATOM 1462 N PRO B 4 -5.613 -24.737 16.112 1.00 0.00 N ATOM 1463 CA PRO B 4 -4.638 -23.609 16.097 1.00 0.00 C ATOM 1464 C PRO B 4 -5.339 -22.261 16.122 1.00 0.00 C ATOM 1465 O PRO B 4 -4.840 -21.321 16.728 1.00 0.00 O ATOM 1466 CB PRO B 4 -3.854 -23.809 14.789 1.00 0.00 C ATOM 1467 CG PRO B 4 -4.011 -25.261 14.469 1.00 0.00 C ATOM 1468 CD PRO B 4 -5.398 -25.653 14.980 1.00 0.00 C ATOM 0 HA PRO B 4 -3.993 -23.610 16.975 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -4.251 -23.183 13.990 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -2.804 -23.542 14.912 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -3.925 -25.436 13.397 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -3.234 -25.854 14.952 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.160 -25.528 14.211 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -5.431 -26.696 15.295 1.00 0.00 H new ATOM 1476 N GLN B 5 -6.480 -22.203 15.425 1.00 0.00 N ATOM 1477 CA GLN B 5 -7.308 -20.996 15.294 1.00 0.00 C ATOM 1478 C GLN B 5 -6.857 -20.188 14.085 1.00 0.00 C ATOM 1479 O GLN B 5 -5.866 -19.464 14.166 1.00 0.00 O ATOM 1480 CB GLN B 5 -7.257 -20.091 16.537 1.00 0.00 C ATOM 1481 CG GLN B 5 -7.783 -20.850 17.752 1.00 0.00 C ATOM 1482 CD GLN B 5 -7.650 -19.985 19.000 1.00 0.00 C ATOM 1483 OE1 GLN B 5 -7.225 -18.833 18.915 1.00 0.00 O ATOM 1484 NE2 GLN B 5 -7.992 -20.472 20.162 1.00 0.00 N ATOM 0 H GLN B 5 -6.861 -23.007 14.927 1.00 0.00 H new ATOM 0 HA GLN B 5 -8.336 -21.339 15.175 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -6.233 -19.763 16.717 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -7.854 -19.195 16.370 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -8.827 -21.123 17.597 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -7.226 -21.778 17.881 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -8.344 -21.427 20.231 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -7.907 -19.898 21.001 1.00 0.00 H new ATOM 1493 N SER B 6 -7.586 -20.336 12.970 1.00 0.00 N ATOM 1494 CA SER B 6 -7.274 -19.638 11.711 1.00 0.00 C ATOM 1495 C SER B 6 -6.361 -18.429 11.923 1.00 0.00 C ATOM 1496 O SER B 6 -6.725 -17.473 12.606 1.00 0.00 O ATOM 1497 CB SER B 6 -8.574 -19.166 11.058 1.00 0.00 C ATOM 1498 OG SER B 6 -8.270 -18.473 9.853 1.00 0.00 O ATOM 0 H SER B 6 -8.406 -20.940 12.913 1.00 0.00 H new ATOM 0 HA SER B 6 -6.748 -20.345 11.070 1.00 0.00 H new ATOM 0 HB2 SER B 6 -9.219 -20.019 10.848 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.120 -18.513 11.739 1.00 0.00 H new ATOM 0 HG SER B 6 -9.101 -18.170 9.431 1.00 0.00 H new ATOM 1504 N ASP B 7 -5.170 -18.488 11.329 1.00 0.00 N ATOM 1505 CA ASP B 7 -4.191 -17.404 11.443 1.00 0.00 C ATOM 1506 C ASP B 7 -4.241 -16.458 10.236 1.00 0.00 C ATOM 1507 O ASP B 7 -3.983 -15.262 10.381 1.00 0.00 O ATOM 1508 CB ASP B 7 -2.783 -17.987 11.576 1.00 0.00 C ATOM 1509 CG ASP B 7 -2.798 -19.178 12.529 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -3.124 -20.265 12.083 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -2.485 -18.983 13.692 1.00 0.00 O ATOM 0 H ASP B 7 -4.858 -19.276 10.762 1.00 0.00 H new ATOM 0 HA ASP B 7 -4.442 -16.827 12.333 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -2.416 -18.298 10.598 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -2.098 -17.224 11.946 1.00 0.00 H new ATOM 1516 N PRO B 8 -4.560 -16.948 9.059 1.00 0.00 N ATOM 1517 CA PRO B 8 -4.626 -16.096 7.831 1.00 0.00 C ATOM 1518 C PRO B 8 -5.545 -14.884 8.006 1.00 0.00 C ATOM 1519 O PRO B 8 -5.297 -13.826 7.428 1.00 0.00 O ATOM 1520 CB PRO B 8 -5.164 -17.052 6.751 1.00 0.00 C ATOM 1521 CG PRO B 8 -4.788 -18.415 7.229 1.00 0.00 C ATOM 1522 CD PRO B 8 -4.879 -18.355 8.752 1.00 0.00 C ATOM 0 HA PRO B 8 -3.655 -15.668 7.581 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.244 -16.956 6.639 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -4.723 -16.838 5.778 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -5.461 -19.171 6.826 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -3.781 -18.680 6.907 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.873 -18.628 9.106 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -4.174 -19.039 9.224 1.00 0.00 H new ATOM 1530 N SER B 9 -6.608 -15.040 8.798 1.00 0.00 N ATOM 1531 CA SER B 9 -7.553 -13.940 9.030 1.00 0.00 C ATOM 1532 C SER B 9 -7.312 -13.281 10.377 1.00 0.00 C ATOM 1533 O SER B 9 -7.680 -12.127 10.596 1.00 0.00 O ATOM 1534 CB SER B 9 -8.987 -14.461 8.963 1.00 0.00 C ATOM 1535 OG SER B 9 -9.215 -15.046 7.688 1.00 0.00 O ATOM 0 H SER B 9 -6.837 -15.906 9.286 1.00 0.00 H new ATOM 0 HA SER B 9 -7.397 -13.194 8.251 1.00 0.00 H new ATOM 0 HB2 SER B 9 -9.156 -15.197 9.749 1.00 0.00 H new ATOM 0 HB3 SER B 9 -9.691 -13.646 9.133 1.00 0.00 H new ATOM 0 HG SER B 9 -10.134 -15.383 7.642 1.00 0.00 H new ATOM 1541 N VAL B 10 -6.689 -14.023 11.267 1.00 0.00 N ATOM 1542 CA VAL B 10 -6.381 -13.521 12.608 1.00 0.00 C ATOM 1543 C VAL B 10 -4.934 -13.060 12.662 1.00 0.00 C ATOM 1544 O VAL B 10 -4.044 -13.824 13.034 1.00 0.00 O ATOM 1545 CB VAL B 10 -6.584 -14.630 13.633 1.00 0.00 C ATOM 1546 CG1 VAL B 10 -6.384 -14.073 15.045 1.00 0.00 C ATOM 1547 CG2 VAL B 10 -7.999 -15.199 13.504 1.00 0.00 C ATOM 0 H VAL B 10 -6.381 -14.980 11.095 1.00 0.00 H new ATOM 0 HA VAL B 10 -7.044 -12.686 12.834 1.00 0.00 H new ATOM 0 HB VAL B 10 -5.857 -15.422 13.451 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -6.530 -14.870 15.774 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -5.374 -13.675 15.140 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -7.106 -13.277 15.228 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -8.141 -15.992 14.238 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -8.727 -14.407 13.680 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -8.138 -15.604 12.502 1.00 0.00 H new ATOM 1557 N GLU B 11 -4.702 -11.815 12.260 1.00 0.00 N ATOM 1558 CA GLU B 11 -3.355 -11.252 12.230 1.00 0.00 C ATOM 1559 C GLU B 11 -3.189 -10.180 13.314 1.00 0.00 C ATOM 1560 O GLU B 11 -3.531 -9.020 13.089 1.00 0.00 O ATOM 1561 CB GLU B 11 -3.123 -10.636 10.851 1.00 0.00 C ATOM 1562 CG GLU B 11 -3.301 -11.722 9.779 1.00 0.00 C ATOM 1563 CD GLU B 11 -3.508 -11.077 8.413 1.00 0.00 C ATOM 1564 OE1 GLU B 11 -4.575 -10.526 8.196 1.00 0.00 O ATOM 1565 OE2 GLU B 11 -2.597 -11.141 7.605 1.00 0.00 O ATOM 0 H GLU B 11 -5.432 -11.174 11.949 1.00 0.00 H new ATOM 0 HA GLU B 11 -2.627 -12.040 12.422 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -3.826 -9.820 10.680 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -2.121 -10.211 10.793 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -2.424 -12.369 9.756 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -4.155 -12.352 10.026 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.684 -10.534 14.478 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.496 -9.558 15.598 1.00 0.00 C ATOM 1574 C PRO B 12 -1.899 -8.228 15.115 1.00 0.00 C ATOM 1575 O PRO B 12 -0.708 -8.165 14.827 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.523 -10.289 16.529 1.00 0.00 C ATOM 1577 CG PRO B 12 -1.849 -11.733 16.341 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.231 -11.887 14.866 1.00 0.00 C ATOM 0 HA PRO B 12 -3.437 -9.283 16.074 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.486 -10.078 16.267 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.658 -9.982 17.566 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -0.995 -12.362 16.591 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.670 -12.036 16.991 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -1.382 -12.213 14.265 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.020 -12.627 14.732 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.679 -7.171 15.016 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.158 -5.844 14.554 1.00 0.00 C ATOM 1588 C PRO B 13 -0.981 -5.350 15.403 1.00 0.00 C ATOM 1589 O PRO B 13 -1.131 -5.091 16.597 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.370 -4.898 14.688 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.574 -5.789 14.708 1.00 0.00 C ATOM 1592 CD PRO B 13 -4.122 -7.114 15.320 1.00 0.00 C ATOM 0 HA PRO B 13 -1.767 -5.897 13.538 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.306 -4.305 15.600 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.415 -4.197 13.855 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.377 -5.344 15.296 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.962 -5.939 13.701 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.305 -7.141 16.394 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.656 -7.958 14.884 1.00 0.00 H new ATOM 1600 N LEU B 14 0.186 -5.204 14.771 1.00 0.00 N ATOM 1601 CA LEU B 14 1.384 -4.721 15.466 1.00 0.00 C ATOM 1602 C LEU B 14 1.672 -3.280 15.063 1.00 0.00 C ATOM 1603 O LEU B 14 2.765 -2.770 15.301 1.00 0.00 O ATOM 1604 CB LEU B 14 2.596 -5.589 15.109 1.00 0.00 C ATOM 1605 CG LEU B 14 2.271 -7.067 15.338 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.488 -7.915 14.961 1.00 0.00 C ATOM 1607 CD2 LEU B 14 1.913 -7.309 16.812 1.00 0.00 C ATOM 0 H LEU B 14 0.328 -5.412 13.783 1.00 0.00 H new ATOM 0 HA LEU B 14 1.204 -4.776 16.540 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.875 -5.427 14.068 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.453 -5.299 15.717 1.00 0.00 H new ATOM 0 HG LEU B 14 1.419 -7.346 14.718 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.261 -8.969 15.123 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.733 -7.753 13.911 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.338 -7.628 15.580 1.00 0.00 H new ATOM 0 HD21 LEU B 14 1.684 -8.364 16.962 1.00 0.00 H new ATOM 0 HD22 LEU B 14 2.757 -7.028 17.442 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.044 -6.707 17.079 1.00 0.00 H new ATOM 1619 N SER B 15 0.685 -2.644 14.425 1.00 0.00 N ATOM 1620 CA SER B 15 0.819 -1.264 13.949 1.00 0.00 C ATOM 1621 C SER B 15 1.411 -1.254 12.543 1.00 0.00 C ATOM 1622 O SER B 15 1.125 -0.364 11.742 1.00 0.00 O ATOM 1623 CB SER B 15 1.703 -0.432 14.895 1.00 0.00 C ATOM 1624 OG SER B 15 1.333 0.937 14.792 1.00 0.00 O ATOM 0 H SER B 15 -0.222 -3.067 14.225 1.00 0.00 H new ATOM 0 HA SER B 15 -0.174 -0.815 13.929 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.584 -0.778 15.922 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.754 -0.558 14.636 1.00 0.00 H new ATOM 0 HG SER B 15 1.891 1.473 15.393 1.00 0.00 H new ATOM 1630 N GLN B 16 2.232 -2.262 12.250 1.00 0.00 N ATOM 1631 CA GLN B 16 2.866 -2.391 10.941 1.00 0.00 C ATOM 1632 C GLN B 16 2.302 -3.613 10.240 1.00 0.00 C ATOM 1633 O GLN B 16 2.990 -4.280 9.465 1.00 0.00 O ATOM 1634 CB GLN B 16 4.380 -2.551 11.112 1.00 0.00 C ATOM 1635 CG GLN B 16 4.969 -1.261 11.684 1.00 0.00 C ATOM 1636 CD GLN B 16 6.473 -1.416 11.886 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.053 -2.426 11.487 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.142 -0.473 12.491 1.00 0.00 N ATOM 0 H GLN B 16 2.474 -3.004 12.906 1.00 0.00 H new ATOM 0 HA GLN B 16 2.668 -1.498 10.348 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.595 -3.387 11.777 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.843 -2.780 10.152 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.769 -0.430 11.008 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.489 -1.023 12.633 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.660 0.363 12.821 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.147 -0.572 12.634 1.00 0.00 H new ATOM 1647 N GLU B 17 1.044 -3.910 10.541 1.00 0.00 N ATOM 1648 CA GLU B 17 0.384 -5.068 9.966 1.00 0.00 C ATOM 1649 C GLU B 17 0.608 -5.130 8.458 1.00 0.00 C ATOM 1650 O GLU B 17 1.154 -6.107 7.944 1.00 0.00 O ATOM 1651 CB GLU B 17 -1.116 -5.014 10.270 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.805 -6.263 9.715 1.00 0.00 C ATOM 1653 CD GLU B 17 -3.267 -6.289 10.152 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.738 -5.274 10.637 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.893 -7.325 9.997 1.00 0.00 O ATOM 0 H GLU B 17 0.464 -3.365 11.179 1.00 0.00 H new ATOM 0 HA GLU B 17 0.812 -5.966 10.412 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.276 -4.948 11.346 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.554 -4.119 9.827 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.742 -6.270 8.627 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.295 -7.158 10.070 1.00 0.00 H new ATOM 1662 N THR B 18 0.184 -4.085 7.751 1.00 0.00 N ATOM 1663 CA THR B 18 0.352 -4.043 6.301 1.00 0.00 C ATOM 1664 C THR B 18 1.770 -3.677 5.916 1.00 0.00 C ATOM 1665 O THR B 18 2.402 -4.389 5.132 1.00 0.00 O ATOM 1666 CB THR B 18 -0.621 -3.038 5.684 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.928 -3.282 6.185 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.615 -3.187 4.163 1.00 0.00 C ATOM 0 H THR B 18 -0.273 -3.266 8.152 1.00 0.00 H new ATOM 0 HA THR B 18 0.140 -5.041 5.917 1.00 0.00 H new ATOM 0 HB THR B 18 -0.315 -2.025 5.945 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.026 -2.859 7.064 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.309 -2.470 3.724 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.389 -2.999 3.783 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.921 -4.198 3.895 1.00 0.00 H new ATOM 1676 N PHE B 19 2.263 -2.562 6.459 1.00 0.00 N ATOM 1677 CA PHE B 19 3.614 -2.102 6.150 1.00 0.00 C ATOM 1678 C PHE B 19 4.550 -3.288 5.985 1.00 0.00 C ATOM 1679 O PHE B 19 5.223 -3.435 4.947 1.00 0.00 O ATOM 1680 CB PHE B 19 4.112 -1.193 7.280 1.00 0.00 C ATOM 1681 CG PHE B 19 3.333 0.100 7.249 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.076 0.173 7.859 1.00 0.00 C ATOM 1683 CD2 PHE B 19 3.865 1.223 6.607 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.350 1.370 7.827 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.141 2.419 6.575 1.00 0.00 C ATOM 1686 CZ PHE B 19 1.883 2.493 7.185 1.00 0.00 C ATOM 0 H PHE B 19 1.750 -1.967 7.109 1.00 0.00 H new ATOM 0 HA PHE B 19 3.597 -1.542 5.215 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.985 -1.686 8.244 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.177 -0.994 7.162 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.665 -0.694 8.355 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.835 1.166 6.136 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.379 1.426 8.297 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.552 3.286 6.080 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.324 3.417 7.160 1.00 0.00 H new ATOM 1696 N SER B 20 4.580 -4.133 7.026 1.00 0.00 N ATOM 1697 CA SER B 20 5.421 -5.325 7.043 1.00 0.00 C ATOM 1698 C SER B 20 5.560 -5.903 5.648 1.00 0.00 C ATOM 1699 O SER B 20 6.652 -5.975 5.100 1.00 0.00 O ATOM 1700 CB SER B 20 4.791 -6.377 7.956 1.00 0.00 C ATOM 1701 OG SER B 20 5.612 -7.538 7.968 1.00 0.00 O ATOM 0 H SER B 20 4.024 -4.005 7.871 1.00 0.00 H new ATOM 0 HA SER B 20 6.409 -5.047 7.411 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.684 -5.982 8.966 1.00 0.00 H new ATOM 0 HB3 SER B 20 3.790 -6.628 7.605 1.00 0.00 H new ATOM 0 HG SER B 20 5.213 -8.215 8.554 1.00 0.00 H new ATOM 1707 N ASP B 21 4.436 -6.305 5.089 1.00 0.00 N ATOM 1708 CA ASP B 21 4.411 -6.890 3.761 1.00 0.00 C ATOM 1709 C ASP B 21 4.882 -5.921 2.673 1.00 0.00 C ATOM 1710 O ASP B 21 5.633 -6.304 1.779 1.00 0.00 O ATOM 1711 CB ASP B 21 2.981 -7.338 3.449 1.00 0.00 C ATOM 1712 CG ASP B 21 2.624 -8.570 4.274 1.00 0.00 C ATOM 1713 OD1 ASP B 21 3.515 -9.118 4.903 1.00 0.00 O ATOM 1714 OD2 ASP B 21 1.463 -8.946 4.269 1.00 0.00 O ATOM 0 H ASP B 21 3.522 -6.237 5.536 1.00 0.00 H new ATOM 0 HA ASP B 21 5.102 -7.733 3.760 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.283 -6.530 3.668 1.00 0.00 H new ATOM 0 HB3 ASP B 21 2.886 -7.563 2.387 1.00 0.00 H new ATOM 1719 N LEU B 22 4.403 -4.689 2.714 1.00 0.00 N ATOM 1720 CA LEU B 22 4.746 -3.724 1.677 1.00 0.00 C ATOM 1721 C LEU B 22 6.209 -3.796 1.252 1.00 0.00 C ATOM 1722 O LEU B 22 6.498 -4.147 0.110 1.00 0.00 O ATOM 1723 CB LEU B 22 4.445 -2.305 2.149 1.00 0.00 C ATOM 1724 CG LEU B 22 2.989 -2.193 2.614 1.00 0.00 C ATOM 1725 CD1 LEU B 22 2.669 -0.726 2.966 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.028 -2.675 1.509 1.00 0.00 C ATOM 0 H LEU B 22 3.784 -4.334 3.443 1.00 0.00 H new ATOM 0 HA LEU B 22 4.133 -3.981 0.813 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.116 -2.037 2.965 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.630 -1.599 1.339 1.00 0.00 H new ATOM 0 HG LEU B 22 2.856 -2.822 3.494 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.633 -0.649 3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.331 -0.391 3.765 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.817 -0.100 2.086 1.00 0.00 H new ATOM 0 HD21 LEU B 22 0.999 -2.588 1.858 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.162 -2.062 0.618 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.243 -3.716 1.269 1.00 0.00 H new ATOM 1738 N TRP B 23 7.134 -3.407 2.130 1.00 0.00 N ATOM 1739 CA TRP B 23 8.561 -3.388 1.738 1.00 0.00 C ATOM 1740 C TRP B 23 9.312 -4.706 2.008 1.00 0.00 C ATOM 1741 O TRP B 23 10.406 -4.897 1.474 1.00 0.00 O ATOM 1742 CB TRP B 23 9.288 -2.190 2.407 1.00 0.00 C ATOM 1743 CG TRP B 23 9.938 -2.602 3.690 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.255 -2.862 3.855 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.316 -2.807 4.978 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.475 -3.219 5.175 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.304 -3.202 5.907 1.00 0.00 C ATOM 1748 CE3 TRP B 23 7.998 -2.690 5.417 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 9.984 -3.475 7.235 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.668 -2.963 6.745 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.658 -3.358 7.656 1.00 0.00 C ATOM 0 H TRP B 23 6.941 -3.109 3.086 1.00 0.00 H new ATOM 0 HA TRP B 23 8.572 -3.268 0.655 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.040 -1.791 1.726 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.574 -1.389 2.598 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.010 -2.801 3.085 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.388 -3.464 5.559 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.227 -2.386 4.724 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.753 -3.774 7.931 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.643 -2.869 7.073 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.395 -3.571 8.682 1.00 0.00 H new ATOM 1762 N LYS B 24 8.772 -5.605 2.838 1.00 0.00 N ATOM 1763 CA LYS B 24 9.498 -6.858 3.127 1.00 0.00 C ATOM 1764 C LYS B 24 9.127 -8.001 2.176 1.00 0.00 C ATOM 1765 O LYS B 24 9.852 -8.994 2.110 1.00 0.00 O ATOM 1766 CB LYS B 24 9.269 -7.310 4.574 1.00 0.00 C ATOM 1767 CG LYS B 24 9.747 -6.206 5.536 1.00 0.00 C ATOM 1768 CD LYS B 24 9.906 -6.757 6.969 1.00 0.00 C ATOM 1769 CE LYS B 24 8.546 -6.817 7.690 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.533 -7.999 8.599 1.00 0.00 N ATOM 0 H LYS B 24 7.872 -5.502 3.307 1.00 0.00 H new ATOM 0 HA LYS B 24 10.553 -6.629 2.975 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.212 -7.519 4.739 1.00 0.00 H new ATOM 0 HB3 LYS B 24 9.811 -8.236 4.768 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.698 -5.803 5.189 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.032 -5.383 5.535 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.347 -7.753 6.933 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.593 -6.125 7.532 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.380 -5.902 8.259 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.737 -6.891 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.550 -8.251 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 8.997 -8.803 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.043 -7.768 9.476 1.00 0.00 H new ATOM 1784 N LEU B 25 8.024 -7.876 1.430 1.00 0.00 N ATOM 1785 CA LEU B 25 7.626 -8.936 0.488 1.00 0.00 C ATOM 1786 C LEU B 25 7.964 -8.536 -0.945 1.00 0.00 C ATOM 1787 O LEU B 25 7.307 -8.971 -1.890 1.00 0.00 O ATOM 1788 CB LEU B 25 6.122 -9.242 0.599 1.00 0.00 C ATOM 1789 CG LEU B 25 5.824 -10.108 1.843 1.00 0.00 C ATOM 1790 CD1 LEU B 25 4.301 -10.347 1.952 1.00 0.00 C ATOM 1791 CD2 LEU B 25 6.560 -11.471 1.753 1.00 0.00 C ATOM 0 H LEU B 25 7.400 -7.070 1.456 1.00 0.00 H new ATOM 0 HA LEU B 25 8.184 -9.835 0.749 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.561 -8.309 0.658 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.785 -9.761 -0.299 1.00 0.00 H new ATOM 0 HG LEU B 25 6.179 -9.580 2.728 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.090 -10.958 2.830 1.00 0.00 H new ATOM 0 HD12 LEU B 25 3.788 -9.390 2.045 1.00 0.00 H new ATOM 0 HD13 LEU B 25 3.949 -10.862 1.058 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.336 -12.065 2.639 1.00 0.00 H new ATOM 0 HD22 LEU B 25 6.227 -12.006 0.864 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.635 -11.301 1.692 1.00 0.00 H new ATOM 1803 N LEU B 26 8.996 -7.715 -1.105 1.00 0.00 N ATOM 1804 CA LEU B 26 9.408 -7.280 -2.431 1.00 0.00 C ATOM 1805 C LEU B 26 10.191 -8.397 -3.135 1.00 0.00 C ATOM 1806 O LEU B 26 10.844 -9.203 -2.472 1.00 0.00 O ATOM 1807 CB LEU B 26 10.213 -5.956 -2.308 1.00 0.00 C ATOM 1808 CG LEU B 26 11.750 -6.191 -2.281 1.00 0.00 C ATOM 1809 CD1 LEU B 26 12.338 -6.022 -3.689 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.412 -5.169 -1.345 1.00 0.00 C ATOM 0 H LEU B 26 9.557 -7.341 -0.340 1.00 0.00 H new ATOM 0 HA LEU B 26 8.537 -7.075 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU B 26 9.963 -5.304 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU B 26 9.913 -5.436 -1.399 1.00 0.00 H new ATOM 0 HG LEU B 26 11.941 -7.204 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.415 -6.189 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU B 26 11.879 -6.744 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU B 26 12.138 -5.012 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.489 -5.336 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.207 -4.160 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.011 -5.284 -0.338 1.00 0.00 H new ATOM 1822 N PRO B 27 10.128 -8.473 -4.449 1.00 0.00 N ATOM 1823 CA PRO B 27 10.834 -9.525 -5.222 1.00 0.00 C ATOM 1824 C PRO B 27 12.166 -9.900 -4.587 1.00 0.00 C ATOM 1825 O PRO B 27 12.296 -11.002 -4.071 1.00 0.00 O ATOM 1826 CB PRO B 27 11.018 -8.888 -6.603 1.00 0.00 C ATOM 1827 CG PRO B 27 9.850 -7.957 -6.759 1.00 0.00 C ATOM 1828 CD PRO B 27 9.378 -7.576 -5.336 1.00 0.00 C ATOM 0 HA PRO B 27 10.280 -10.463 -5.261 1.00 0.00 H new ATOM 0 HB2 PRO B 27 11.964 -8.349 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.028 -9.644 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO B 27 10.138 -7.068 -7.320 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.046 -8.438 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO B 27 9.590 -6.530 -5.114 1.00 0.00 H new ATOM 0 HD3 PRO B 27 8.303 -7.714 -5.224 1.00 0.00 H new ATOM 1836 N GLU B 28 13.118 -8.957 -4.600 1.00 0.00 N ATOM 1837 CA GLU B 28 14.450 -9.156 -3.996 1.00 0.00 C ATOM 1838 C GLU B 28 15.460 -8.170 -4.586 1.00 0.00 C ATOM 1839 O GLU B 28 16.061 -8.463 -5.615 1.00 0.00 O ATOM 1840 CB GLU B 28 14.983 -10.586 -4.217 1.00 0.00 C ATOM 1841 CG GLU B 28 16.388 -10.717 -3.630 1.00 0.00 C ATOM 1842 CD GLU B 28 16.819 -12.178 -3.666 1.00 0.00 C ATOM 1843 OE1 GLU B 28 16.161 -12.952 -4.343 1.00 0.00 O ATOM 1844 OE2 GLU B 28 17.793 -12.504 -3.009 1.00 0.00 O ATOM 0 H GLU B 28 12.992 -8.039 -5.026 1.00 0.00 H new ATOM 0 HA GLU B 28 14.332 -8.987 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.315 -11.308 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU B 28 15.002 -10.815 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU B 28 17.089 -10.106 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU B 28 16.401 -10.348 -2.604 1.00 0.00 H new ATOM 1851 N ASN B 29 15.630 -7.020 -3.909 1.00 0.00 N ATOM 1852 CA ASN B 29 16.570 -5.954 -4.316 1.00 0.00 C ATOM 1853 C ASN B 29 15.832 -4.791 -4.955 1.00 0.00 C ATOM 1854 O ASN B 29 15.891 -4.618 -6.173 1.00 0.00 O ATOM 1855 CB ASN B 29 17.649 -6.443 -5.292 1.00 0.00 C ATOM 1856 CG ASN B 29 18.369 -7.658 -4.717 1.00 0.00 C ATOM 1857 OD1 ASN B 29 18.592 -7.731 -3.509 1.00 0.00 O ATOM 1858 ND2 ASN B 29 18.755 -8.618 -5.512 1.00 0.00 N ATOM 0 H ASN B 29 15.115 -6.800 -3.056 1.00 0.00 H new ATOM 0 HA ASN B 29 17.062 -5.632 -3.398 1.00 0.00 H new ATOM 0 HB2 ASN B 29 17.194 -6.700 -6.249 1.00 0.00 H new ATOM 0 HB3 ASN B 29 18.365 -5.644 -5.484 1.00 0.00 H new ATOM 0 HD21 ASN B 29 19.242 -9.430 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN B 29 18.570 -8.557 -6.513 1.00 0.00 H new ATOM 1865 N ASN B 30 15.136 -3.999 -4.124 1.00 0.00 N ATOM 1866 CA ASN B 30 14.374 -2.836 -4.604 1.00 0.00 C ATOM 1867 C ASN B 30 14.984 -2.269 -5.884 1.00 0.00 C ATOM 1868 O ASN B 30 16.190 -2.028 -5.951 1.00 0.00 O ATOM 1869 CB ASN B 30 14.380 -1.744 -3.530 1.00 0.00 C ATOM 1870 CG ASN B 30 13.492 -2.150 -2.360 1.00 0.00 C ATOM 1871 OD1 ASN B 30 12.272 -1.995 -2.423 1.00 0.00 O ATOM 1872 ND2 ASN B 30 14.033 -2.668 -1.292 1.00 0.00 N ATOM 0 H ASN B 30 15.085 -4.143 -3.116 1.00 0.00 H new ATOM 0 HA ASN B 30 13.355 -3.161 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN B 30 15.398 -1.573 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN B 30 14.027 -0.804 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN B 30 13.445 -2.946 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN B 30 15.044 -2.795 -1.243 1.00 0.00 H new ATOM 1879 N VAL B 31 14.153 -2.069 -6.898 1.00 0.00 N ATOM 1880 CA VAL B 31 14.631 -1.540 -8.182 1.00 0.00 C ATOM 1881 C VAL B 31 14.348 -0.041 -8.276 1.00 0.00 C ATOM 1882 O VAL B 31 13.235 0.405 -8.022 1.00 0.00 O ATOM 1883 CB VAL B 31 13.954 -2.289 -9.339 1.00 0.00 C ATOM 1884 CG1 VAL B 31 14.663 -1.966 -10.655 1.00 0.00 C ATOM 1885 CG2 VAL B 31 14.044 -3.794 -9.070 1.00 0.00 C ATOM 0 H VAL B 31 13.152 -2.261 -6.864 1.00 0.00 H new ATOM 0 HA VAL B 31 15.708 -1.690 -8.249 1.00 0.00 H new ATOM 0 HB VAL B 31 12.911 -1.982 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL B 31 14.177 -2.501 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL B 31 14.611 -0.894 -10.843 1.00 0.00 H new ATOM 0 HG13 VAL B 31 15.707 -2.273 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL B 31 13.567 -4.338 -9.885 1.00 0.00 H new ATOM 0 HG22 VAL B 31 15.091 -4.089 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL B 31 13.539 -4.027 -8.133 1.00 0.00 H new ATOM 1895 N LEU B 32 15.366 0.744 -8.619 1.00 0.00 N ATOM 1896 CA LEU B 32 15.213 2.195 -8.719 1.00 0.00 C ATOM 1897 C LEU B 32 15.089 2.617 -10.175 1.00 0.00 C ATOM 1898 O LEU B 32 15.002 3.810 -10.467 1.00 0.00 O ATOM 1899 CB LEU B 32 16.432 2.881 -8.098 1.00 0.00 C ATOM 1900 CG LEU B 32 16.561 2.496 -6.616 1.00 0.00 C ATOM 1901 CD1 LEU B 32 17.936 2.935 -6.108 1.00 0.00 C ATOM 1902 CD2 LEU B 32 15.469 3.183 -5.777 1.00 0.00 C ATOM 0 H LEU B 32 16.303 0.402 -8.832 1.00 0.00 H new ATOM 0 HA LEU B 32 14.309 2.489 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU B 32 17.335 2.591 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU B 32 16.337 3.963 -8.193 1.00 0.00 H new ATOM 0 HG LEU B 32 16.446 1.416 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU B 32 18.038 2.666 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU B 32 18.714 2.437 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU B 32 18.037 4.015 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU B 32 15.579 2.896 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU B 32 15.566 4.265 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU B 32 14.487 2.875 -6.136 1.00 0.00 H new ATOM 1914 N SER B 33 15.082 1.621 -11.073 1.00 0.00 N ATOM 1915 CA SER B 33 14.968 1.846 -12.524 1.00 0.00 C ATOM 1916 C SER B 33 14.378 3.221 -12.840 1.00 0.00 C ATOM 1917 O SER B 33 13.169 3.353 -13.033 1.00 0.00 O ATOM 1918 CB SER B 33 14.077 0.768 -13.141 1.00 0.00 C ATOM 1919 OG SER B 33 13.753 1.135 -14.477 1.00 0.00 O ATOM 0 H SER B 33 15.155 0.637 -10.815 1.00 0.00 H new ATOM 0 HA SER B 33 15.972 1.800 -12.946 1.00 0.00 H new ATOM 0 HB2 SER B 33 14.589 -0.194 -13.130 1.00 0.00 H new ATOM 0 HB3 SER B 33 13.167 0.651 -12.553 1.00 0.00 H new ATOM 0 HG SER B 33 13.183 0.445 -14.877 1.00 0.00 H new ATOM 1925 N PRO B 34 15.199 4.243 -12.883 1.00 0.00 N ATOM 1926 CA PRO B 34 14.727 5.630 -13.165 1.00 0.00 C ATOM 1927 C PRO B 34 14.039 5.726 -14.525 1.00 0.00 C ATOM 1928 O PRO B 34 14.439 5.062 -15.480 1.00 0.00 O ATOM 1929 CB PRO B 34 16.015 6.483 -13.125 1.00 0.00 C ATOM 1930 CG PRO B 34 17.015 5.654 -12.380 1.00 0.00 C ATOM 1931 CD PRO B 34 16.655 4.199 -12.669 1.00 0.00 C ATOM 0 HA PRO B 34 13.981 5.966 -12.444 1.00 0.00 H new ATOM 0 HB2 PRO B 34 16.366 6.713 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO B 34 15.841 7.435 -12.623 1.00 0.00 H new ATOM 0 HG2 PRO B 34 18.030 5.878 -12.709 1.00 0.00 H new ATOM 0 HG3 PRO B 34 16.974 5.861 -11.311 1.00 0.00 H new ATOM 0 HD2 PRO B 34 17.179 3.822 -13.548 1.00 0.00 H new ATOM 0 HD3 PRO B 34 16.919 3.547 -11.837 1.00 0.00 H new ATOM 1939 N LEU B 35 12.993 6.547 -14.589 1.00 0.00 N ATOM 1940 CA LEU B 35 12.229 6.739 -15.823 1.00 0.00 C ATOM 1941 C LEU B 35 12.395 8.175 -16.327 1.00 0.00 C ATOM 1942 O LEU B 35 11.578 9.039 -16.011 1.00 0.00 O ATOM 1943 CB LEU B 35 10.744 6.474 -15.551 1.00 0.00 C ATOM 1944 CG LEU B 35 10.558 5.074 -14.949 1.00 0.00 C ATOM 1945 CD1 LEU B 35 9.096 4.897 -14.526 1.00 0.00 C ATOM 1946 CD2 LEU B 35 10.923 4.000 -15.988 1.00 0.00 C ATOM 0 H LEU B 35 12.653 7.093 -13.798 1.00 0.00 H new ATOM 0 HA LEU B 35 12.599 6.046 -16.579 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.352 7.227 -14.867 1.00 0.00 H new ATOM 0 HB3 LEU B 35 10.176 6.558 -16.478 1.00 0.00 H new ATOM 0 HG LEU B 35 11.210 4.966 -14.082 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.959 3.904 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.838 5.652 -13.783 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.449 5.009 -15.396 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.788 3.010 -15.551 1.00 0.00 H new ATOM 0 HD22 LEU B 35 10.277 4.103 -16.860 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.963 4.124 -16.290 1.00 0.00 H new ATOM 1958 N PRO B 36 13.422 8.451 -17.098 1.00 0.00 N ATOM 1959 CA PRO B 36 13.661 9.823 -17.632 1.00 0.00 C ATOM 1960 C PRO B 36 12.452 10.319 -18.403 1.00 0.00 C ATOM 1961 O PRO B 36 12.194 9.813 -19.488 1.00 0.00 O ATOM 1962 CB PRO B 36 14.871 9.664 -18.573 1.00 0.00 C ATOM 1963 CG PRO B 36 15.531 8.384 -18.167 1.00 0.00 C ATOM 1964 CD PRO B 36 14.449 7.502 -17.540 1.00 0.00 C ATOM 0 HA PRO B 36 13.840 10.549 -16.839 1.00 0.00 H new ATOM 0 HB2 PRO B 36 14.555 9.628 -19.616 1.00 0.00 H new ATOM 0 HB3 PRO B 36 15.556 10.506 -18.476 1.00 0.00 H new ATOM 0 HG2 PRO B 36 15.979 7.891 -19.030 1.00 0.00 H new ATOM 0 HG3 PRO B 36 16.335 8.573 -17.455 1.00 0.00 H new ATOM 0 HD2 PRO B 36 14.049 6.789 -18.261 1.00 0.00 H new ATOM 0 HD3 PRO B 36 14.842 6.923 -16.704 1.00 0.00 H new ATOM 1972 N SER B 37 11.743 11.303 -17.825 1.00 0.00 N ATOM 1973 CA SER B 37 10.537 11.907 -18.425 1.00 0.00 C ATOM 1974 C SER B 37 10.336 11.480 -19.875 1.00 0.00 C ATOM 1975 O SER B 37 10.434 12.294 -20.794 1.00 0.00 O ATOM 1976 CB SER B 37 10.643 13.432 -18.357 1.00 0.00 C ATOM 1977 OG SER B 37 10.801 13.832 -17.002 1.00 0.00 O ATOM 0 H SER B 37 11.991 11.706 -16.921 1.00 0.00 H new ATOM 0 HA SER B 37 9.677 11.556 -17.855 1.00 0.00 H new ATOM 0 HB2 SER B 37 11.490 13.776 -18.951 1.00 0.00 H new ATOM 0 HB3 SER B 37 9.749 13.889 -18.781 1.00 0.00 H new ATOM 0 HG SER B 37 10.871 14.808 -16.955 1.00 0.00 H new ATOM 1983 N GLN B 38 10.069 10.189 -20.068 1.00 0.00 N ATOM 1984 CA GLN B 38 9.873 9.638 -21.401 1.00 0.00 C ATOM 1985 C GLN B 38 8.389 9.499 -21.687 1.00 0.00 C ATOM 1986 O GLN B 38 7.650 8.900 -20.906 1.00 0.00 O ATOM 1987 CB GLN B 38 10.555 8.265 -21.499 1.00 0.00 C ATOM 1988 CG GLN B 38 10.427 7.709 -22.923 1.00 0.00 C ATOM 1989 CD GLN B 38 11.187 8.597 -23.903 1.00 0.00 C ATOM 1990 OE1 GLN B 38 12.282 9.067 -23.595 1.00 0.00 O ATOM 1991 NE2 GLN B 38 10.669 8.855 -25.072 1.00 0.00 N ATOM 0 H GLN B 38 9.984 9.507 -19.314 1.00 0.00 H new ATOM 0 HA GLN B 38 10.315 10.310 -22.136 1.00 0.00 H new ATOM 0 HB2 GLN B 38 11.607 8.354 -21.229 1.00 0.00 H new ATOM 0 HB3 GLN B 38 10.101 7.574 -20.789 1.00 0.00 H new ATOM 0 HG2 GLN B 38 10.819 6.693 -22.962 1.00 0.00 H new ATOM 0 HG3 GLN B 38 9.376 7.656 -23.208 1.00 0.00 H new ATOM 0 HE21 GLN B 38 9.761 8.464 -25.325 1.00 0.00 H new ATOM 0 HE22 GLN B 38 11.172 9.447 -25.733 1.00 0.00 H new ATOM 2000 N ALA B 39 7.956 10.057 -22.812 1.00 0.00 N ATOM 2001 CA ALA B 39 6.550 9.994 -23.199 1.00 0.00 C ATOM 2002 C ALA B 39 6.343 8.934 -24.274 1.00 0.00 C ATOM 2003 O ALA B 39 6.834 9.130 -25.374 1.00 0.00 O ATOM 2004 CB ALA B 39 6.099 11.356 -23.729 1.00 0.00 C ATOM 2005 OXT ALA B 39 5.698 7.940 -23.982 1.00 0.00 O ATOM 0 H ALA B 39 8.555 10.556 -23.470 1.00 0.00 H new ATOM 0 HA ALA B 39 5.957 9.729 -22.323 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.049 11.305 -24.017 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.226 12.109 -22.951 1.00 0.00 H new ATOM 0 HB3 ALA B 39 6.700 11.626 -24.597 1.00 0.00 H new TER 2011 ALA B 39