USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 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 117 LYS NZ :NH3+ 179:sc= -1 (180deg=-1.02) USER MOD Set 1.2: B 126 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= 0.87 F(o=-1.8,f=1.9) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 154:sc= 1.01 (180deg=0) USER MOD Set 3.1: A 13 HIS : no HD1:sc= -2.94 K(o=-1.7,f=-5.9!) USER MOD Set 3.2: B 102 SER OG : rot -71:sc= 1.27 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= -0.958 USER MOD Set 4.2: B 105 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 2 SER OG : rot 81:sc= -1.46 USER MOD Single : A 8 MET CE :methyl -118:sc= -10.2! (180deg=-20!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.079) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 133:sc= 0.861 (180deg=-0.481) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 128:sc= 1.19 USER MOD Single : A 52 MET CE :methyl -164:sc= -0.628 (180deg=-1.64!) USER MOD Single : A 55 ASN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : B 108 MET CE :methyl -130:sc= -5.2! (180deg=-9.6!) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : B 111 GLN : amide:sc= -1.79 K(o=-1.8,f=-10!) USER MOD Single : B 112 GLN :FLIP amide:sc= -1.06 F(o=-3,f=-1.1) USER MOD Single : B 113 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.4) USER MOD Single : B 114 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.0086) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 128 LYS NZ :NH3+ 141:sc= -2.66! (180deg=-4.63!) USER MOD Single : B 129 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.48) USER MOD Single : B 130 TYR OH : rot 8:sc= -3.39! USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -16.367 -16.881 2.694 1.00 0.00 N ATOM 21 CA SER A 2 -16.298 -15.613 1.969 1.00 0.00 C ATOM 22 C SER A 2 -14.891 -15.016 2.007 1.00 0.00 C ATOM 23 O SER A 2 -14.715 -13.821 2.244 1.00 0.00 O ATOM 24 CB SER A 2 -17.313 -14.620 2.540 1.00 0.00 C ATOM 25 OG SER A 2 -18.508 -14.626 1.779 1.00 0.00 O ATOM 0 HA SER A 2 -16.543 -15.814 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.535 -14.876 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.885 -13.618 2.544 1.00 0.00 H new ATOM 0 HG SER A 2 -19.066 -15.384 2.052 1.00 0.00 H new ATOM 31 N ARG A 3 -13.895 -15.858 1.760 1.00 0.00 N ATOM 32 CA ARG A 3 -12.504 -15.422 1.752 1.00 0.00 C ATOM 33 C ARG A 3 -12.002 -15.307 0.318 1.00 0.00 C ATOM 34 O ARG A 3 -12.005 -16.289 -0.425 1.00 0.00 O ATOM 35 CB ARG A 3 -11.642 -16.413 2.540 1.00 0.00 C ATOM 36 CG ARG A 3 -10.156 -16.090 2.528 1.00 0.00 C ATOM 37 CD ARG A 3 -9.313 -17.354 2.592 1.00 0.00 C ATOM 38 NE ARG A 3 -9.782 -18.281 3.621 1.00 0.00 N ATOM 39 CZ ARG A 3 -9.082 -19.330 4.047 1.00 0.00 C ATOM 40 NH1 ARG A 3 -7.884 -19.588 3.539 1.00 0.00 N ATOM 41 NH2 ARG A 3 -9.582 -20.124 4.985 1.00 0.00 N ATOM 0 H ARG A 3 -14.025 -16.850 1.562 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.434 -14.443 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.989 -16.438 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.789 -17.412 2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.911 -15.533 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.915 -15.447 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.333 -17.851 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.275 -17.087 2.792 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.699 -18.114 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.494 -18.981 2.818 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.353 -20.393 3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.503 -19.931 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.046 -20.928 5.312 1.00 0.00 H new ATOM 55 N LEU A 4 -11.584 -14.107 -0.080 1.00 0.00 N ATOM 56 CA LEU A 4 -11.102 -13.894 -1.439 1.00 0.00 C ATOM 57 C LEU A 4 -9.595 -13.669 -1.467 1.00 0.00 C ATOM 58 O LEU A 4 -9.054 -12.925 -0.650 1.00 0.00 O ATOM 59 CB LEU A 4 -11.842 -12.704 -2.084 1.00 0.00 C ATOM 60 CG LEU A 4 -10.984 -11.471 -2.438 1.00 0.00 C ATOM 61 CD1 LEU A 4 -11.197 -11.065 -3.890 1.00 0.00 C ATOM 62 CD2 LEU A 4 -11.305 -10.307 -1.511 1.00 0.00 C ATOM 0 H LEU A 4 -11.570 -13.277 0.513 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.310 -14.795 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.326 -13.056 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.633 -12.386 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.936 -11.740 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.583 -10.194 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.914 -11.890 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.247 -10.820 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.689 -9.448 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.358 -10.043 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.098 -10.595 -0.480 1.00 0.00 H new ATOM 74 N THR A 5 -8.930 -14.284 -2.438 1.00 0.00 N ATOM 75 CA THR A 5 -7.497 -14.108 -2.593 1.00 0.00 C ATOM 76 C THR A 5 -7.241 -13.003 -3.602 1.00 0.00 C ATOM 77 O THR A 5 -7.688 -13.080 -4.744 1.00 0.00 O ATOM 78 CB THR A 5 -6.821 -15.400 -3.045 1.00 0.00 C ATOM 79 OG1 THR A 5 -7.140 -16.469 -2.170 1.00 0.00 O ATOM 80 CG2 THR A 5 -5.315 -15.280 -3.099 1.00 0.00 C ATOM 0 H THR A 5 -9.360 -14.904 -3.124 1.00 0.00 H new ATOM 0 HA THR A 5 -7.072 -13.837 -1.627 1.00 0.00 H new ATOM 0 HB THR A 5 -7.197 -15.596 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.698 -17.287 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.886 -16.227 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.038 -14.494 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.934 -15.032 -2.108 1.00 0.00 H new ATOM 88 N ILE A 6 -6.551 -11.962 -3.167 1.00 0.00 N ATOM 89 CA ILE A 6 -6.276 -10.821 -4.025 1.00 0.00 C ATOM 90 C ILE A 6 -4.819 -10.759 -4.460 1.00 0.00 C ATOM 91 O ILE A 6 -3.920 -11.142 -3.716 1.00 0.00 O ATOM 92 CB ILE A 6 -6.637 -9.515 -3.298 1.00 0.00 C ATOM 93 CG1 ILE A 6 -8.114 -9.504 -2.941 1.00 0.00 C ATOM 94 CG2 ILE A 6 -6.302 -8.303 -4.144 1.00 0.00 C ATOM 95 CD1 ILE A 6 -8.488 -8.351 -2.050 1.00 0.00 C ATOM 0 H ILE A 6 -6.171 -11.883 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.889 -10.942 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.045 -9.466 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.704 -9.457 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.370 -10.440 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.569 -7.396 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.234 -8.295 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.862 -8.345 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.554 -8.394 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.921 -8.410 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.260 -7.412 -2.555 1.00 0.00 H new ATOM 107 N ASP A 7 -4.596 -10.244 -5.665 1.00 0.00 N ATOM 108 CA ASP A 7 -3.249 -10.099 -6.192 1.00 0.00 C ATOM 109 C ASP A 7 -2.842 -8.633 -6.176 1.00 0.00 C ATOM 110 O ASP A 7 -3.530 -7.779 -6.735 1.00 0.00 O ATOM 111 CB ASP A 7 -3.167 -10.654 -7.615 1.00 0.00 C ATOM 112 CG ASP A 7 -1.738 -10.881 -8.067 1.00 0.00 C ATOM 113 OD1 ASP A 7 -0.997 -11.593 -7.355 1.00 0.00 O ATOM 114 OD2 ASP A 7 -1.360 -10.349 -9.131 1.00 0.00 O ATOM 0 H ASP A 7 -5.332 -9.921 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.564 -10.666 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.715 -11.595 -7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.656 -9.962 -8.300 1.00 0.00 H new ATOM 119 N MET A 8 -1.726 -8.349 -5.523 1.00 0.00 N ATOM 120 CA MET A 8 -1.225 -6.984 -5.418 1.00 0.00 C ATOM 121 C MET A 8 0.244 -6.910 -5.820 1.00 0.00 C ATOM 122 O MET A 8 0.942 -7.922 -5.838 1.00 0.00 O ATOM 123 CB MET A 8 -1.408 -6.455 -3.990 1.00 0.00 C ATOM 124 CG MET A 8 -2.295 -7.330 -3.111 1.00 0.00 C ATOM 125 SD MET A 8 -3.082 -6.405 -1.781 1.00 0.00 S ATOM 126 CE MET A 8 -4.712 -6.168 -2.479 1.00 0.00 C ATOM 0 H MET A 8 -1.147 -9.047 -5.056 1.00 0.00 H new ATOM 0 HA MET A 8 -1.800 -6.360 -6.102 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.429 -6.361 -3.520 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.836 -5.454 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.063 -7.797 -3.727 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.696 -8.134 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.903 -5.102 -2.603 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.768 -6.662 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.460 -6.595 -1.811 1.00 0.00 H new ATOM 136 N THR A 9 0.713 -5.704 -6.119 1.00 0.00 N ATOM 137 CA THR A 9 2.110 -5.508 -6.493 1.00 0.00 C ATOM 138 C THR A 9 2.971 -5.373 -5.239 1.00 0.00 C ATOM 139 O THR A 9 2.568 -4.745 -4.259 1.00 0.00 O ATOM 140 CB THR A 9 2.277 -4.282 -7.402 1.00 0.00 C ATOM 141 OG1 THR A 9 3.601 -3.780 -7.333 1.00 0.00 O ATOM 142 CG2 THR A 9 1.339 -3.143 -7.071 1.00 0.00 C ATOM 0 H THR A 9 0.152 -4.852 -6.110 1.00 0.00 H new ATOM 0 HA THR A 9 2.440 -6.381 -7.056 1.00 0.00 H new ATOM 0 HB THR A 9 2.038 -4.642 -8.403 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.686 -3.000 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.517 -2.314 -7.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.307 -3.481 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.515 -2.812 -6.047 1.00 0.00 H new ATOM 150 N ASP A 10 4.146 -5.988 -5.271 1.00 0.00 N ATOM 151 CA ASP A 10 5.067 -5.973 -4.136 1.00 0.00 C ATOM 152 C ASP A 10 5.203 -4.589 -3.497 1.00 0.00 C ATOM 153 O ASP A 10 4.924 -4.420 -2.310 1.00 0.00 O ATOM 154 CB ASP A 10 6.448 -6.477 -4.568 1.00 0.00 C ATOM 155 CG ASP A 10 6.862 -5.955 -5.931 1.00 0.00 C ATOM 156 OD1 ASP A 10 6.254 -4.969 -6.399 1.00 0.00 O ATOM 157 OD2 ASP A 10 7.795 -6.531 -6.530 1.00 0.00 O ATOM 0 H ASP A 10 4.489 -6.509 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 10 4.644 -6.637 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.189 -6.175 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.443 -7.567 -4.587 1.00 0.00 H new ATOM 162 N GLN A 11 5.658 -3.612 -4.273 1.00 0.00 N ATOM 163 CA GLN A 11 5.862 -2.259 -3.758 1.00 0.00 C ATOM 164 C GLN A 11 4.580 -1.641 -3.200 1.00 0.00 C ATOM 165 O GLN A 11 4.578 -1.104 -2.092 1.00 0.00 O ATOM 166 CB GLN A 11 6.431 -1.360 -4.857 1.00 0.00 C ATOM 167 CG GLN A 11 7.095 -0.098 -4.329 1.00 0.00 C ATOM 168 CD GLN A 11 8.597 -0.100 -4.531 1.00 0.00 C ATOM 169 OE1 GLN A 11 9.085 0.042 -5.652 1.00 0.00 O ATOM 170 NE2 GLN A 11 9.340 -0.261 -3.442 1.00 0.00 N ATOM 0 H GLN A 11 5.893 -3.729 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 11 6.570 -2.337 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.158 -1.927 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.627 -1.080 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.666 0.770 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.875 0.006 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.893 -0.375 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.357 -0.270 -3.515 1.00 0.00 H new ATOM 179 N GLN A 12 3.498 -1.700 -3.967 1.00 0.00 N ATOM 180 CA GLN A 12 2.229 -1.123 -3.531 1.00 0.00 C ATOM 181 C GLN A 12 1.672 -1.852 -2.311 1.00 0.00 C ATOM 182 O GLN A 12 1.291 -1.222 -1.325 1.00 0.00 O ATOM 183 CB GLN A 12 1.211 -1.157 -4.668 1.00 0.00 C ATOM 184 CG GLN A 12 0.280 0.043 -4.689 1.00 0.00 C ATOM 185 CD GLN A 12 -1.075 -0.284 -5.283 1.00 0.00 C ATOM 186 OE1 GLN A 12 -1.542 0.388 -6.203 1.00 0.00 O ATOM 187 NE2 GLN A 12 -1.714 -1.321 -4.756 1.00 0.00 N ATOM 0 H GLN A 12 3.472 -2.138 -4.888 1.00 0.00 H new ATOM 0 HA GLN A 12 2.418 -0.087 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.742 -1.210 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.616 -2.066 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.148 0.414 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.741 0.846 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.288 -1.849 -3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.631 -1.590 -5.113 1.00 0.00 H new ATOM 196 N HIS A 13 1.625 -3.179 -2.383 1.00 0.00 N ATOM 197 CA HIS A 13 1.110 -3.992 -1.281 1.00 0.00 C ATOM 198 C HIS A 13 1.754 -3.592 0.044 1.00 0.00 C ATOM 199 O HIS A 13 1.154 -3.739 1.103 1.00 0.00 O ATOM 200 CB HIS A 13 1.371 -5.475 -1.557 1.00 0.00 C ATOM 201 CG HIS A 13 0.550 -6.404 -0.714 1.00 0.00 C ATOM 202 ND1 HIS A 13 0.512 -7.768 -0.921 1.00 0.00 N ATOM 203 CD2 HIS A 13 -0.264 -6.165 0.344 1.00 0.00 C ATOM 204 CE1 HIS A 13 -0.288 -8.325 -0.030 1.00 0.00 C ATOM 205 NE2 HIS A 13 -0.770 -7.376 0.749 1.00 0.00 N ATOM 0 H HIS A 13 1.937 -3.716 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 13 0.036 -3.820 -1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.169 -5.680 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.427 -5.685 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.475 -5.202 0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.510 -9.379 0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.414 -7.518 1.527 1.00 0.00 H new ATOM 214 N GLN A 14 2.976 -3.082 -0.029 1.00 0.00 N ATOM 215 CA GLN A 14 3.705 -2.659 1.158 1.00 0.00 C ATOM 216 C GLN A 14 3.137 -1.360 1.701 1.00 0.00 C ATOM 217 O GLN A 14 3.156 -1.120 2.906 1.00 0.00 O ATOM 218 CB GLN A 14 5.191 -2.480 0.835 1.00 0.00 C ATOM 219 CG GLN A 14 5.940 -3.790 0.660 1.00 0.00 C ATOM 220 CD GLN A 14 7.441 -3.595 0.572 1.00 0.00 C ATOM 221 OE1 GLN A 14 8.118 -3.426 1.586 1.00 0.00 O ATOM 222 NE2 GLN A 14 7.970 -3.620 -0.647 1.00 0.00 N ATOM 0 H GLN A 14 3.485 -2.951 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 14 3.596 -3.433 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.287 -1.892 -0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.661 -1.907 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.711 -4.450 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.588 -4.288 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.371 -3.763 -1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.975 -3.496 -0.769 1.00 0.00 H new ATOM 231 N SER A 15 2.631 -0.521 0.806 1.00 0.00 N ATOM 232 CA SER A 15 2.060 0.751 1.213 1.00 0.00 C ATOM 233 C SER A 15 0.882 0.527 2.150 1.00 0.00 C ATOM 234 O SER A 15 0.807 1.120 3.226 1.00 0.00 O ATOM 235 CB SER A 15 1.616 1.554 -0.012 1.00 0.00 C ATOM 236 OG SER A 15 1.993 2.915 0.106 1.00 0.00 O ATOM 0 H SER A 15 2.605 -0.699 -0.198 1.00 0.00 H new ATOM 0 HA SER A 15 2.825 1.319 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.060 1.127 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.534 1.482 -0.126 1.00 0.00 H new ATOM 0 HG SER A 15 1.699 3.406 -0.690 1.00 0.00 H new ATOM 242 N LEU A 16 -0.032 -0.347 1.740 1.00 0.00 N ATOM 243 CA LEU A 16 -1.199 -0.664 2.551 1.00 0.00 C ATOM 244 C LEU A 16 -0.863 -1.702 3.618 1.00 0.00 C ATOM 245 O LEU A 16 -1.295 -1.584 4.764 1.00 0.00 O ATOM 246 CB LEU A 16 -2.351 -1.168 1.679 1.00 0.00 C ATOM 247 CG LEU A 16 -3.594 -1.610 2.452 1.00 0.00 C ATOM 248 CD1 LEU A 16 -4.649 -0.515 2.445 1.00 0.00 C ATOM 249 CD2 LEU A 16 -4.150 -2.896 1.864 1.00 0.00 C ATOM 0 H LEU A 16 0.014 -0.847 0.852 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.511 0.255 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.635 -0.378 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.995 -2.007 1.080 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.309 -1.798 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.525 -0.850 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.245 0.383 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.935 -0.292 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.035 -3.199 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.419 -2.732 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.395 -3.680 1.925 1.00 0.00 H new ATOM 261 N LYS A 17 -0.097 -2.727 3.239 1.00 0.00 N ATOM 262 CA LYS A 17 0.271 -3.777 4.185 1.00 0.00 C ATOM 263 C LYS A 17 1.065 -3.195 5.349 1.00 0.00 C ATOM 264 O LYS A 17 0.813 -3.525 6.507 1.00 0.00 O ATOM 265 CB LYS A 17 1.064 -4.881 3.489 1.00 0.00 C ATOM 266 CG LYS A 17 1.132 -6.169 4.287 1.00 0.00 C ATOM 267 CD LYS A 17 2.428 -6.265 5.066 1.00 0.00 C ATOM 268 CE LYS A 17 3.235 -7.486 4.655 1.00 0.00 C ATOM 269 NZ LYS A 17 4.115 -7.969 5.754 1.00 0.00 N ATOM 0 H LYS A 17 0.275 -2.850 2.297 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.645 -4.216 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.611 -5.087 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.077 -4.526 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.287 -6.219 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.046 -7.022 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.020 -5.364 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.210 -6.314 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.557 -8.285 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.843 -7.242 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.647 -8.802 5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.780 -7.216 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.533 -8.227 6.577 1.00 0.00 H new ATOM 283 N ALA A 18 2.011 -2.313 5.040 1.00 0.00 N ATOM 284 CA ALA A 18 2.814 -1.678 6.073 1.00 0.00 C ATOM 285 C ALA A 18 1.938 -0.782 6.940 1.00 0.00 C ATOM 286 O ALA A 18 2.093 -0.734 8.159 1.00 0.00 O ATOM 287 CB ALA A 18 3.949 -0.875 5.455 1.00 0.00 C ATOM 0 H ALA A 18 2.237 -2.025 4.088 1.00 0.00 H new ATOM 0 HA ALA A 18 3.250 -2.456 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.537 -0.408 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.587 -1.538 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.537 -0.103 4.806 1.00 0.00 H new ATOM 293 N LEU A 19 1.008 -0.081 6.296 1.00 0.00 N ATOM 294 CA LEU A 19 0.093 0.805 7.001 1.00 0.00 C ATOM 295 C LEU A 19 -0.773 0.010 7.971 1.00 0.00 C ATOM 296 O LEU A 19 -1.017 0.443 9.097 1.00 0.00 O ATOM 297 CB LEU A 19 -0.788 1.563 6.005 1.00 0.00 C ATOM 298 CG LEU A 19 -0.371 3.013 5.752 1.00 0.00 C ATOM 299 CD1 LEU A 19 -0.428 3.338 4.267 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.253 3.968 6.543 1.00 0.00 C ATOM 0 H LEU A 19 0.870 -0.111 5.286 1.00 0.00 H new ATOM 0 HA LEU A 19 0.679 1.528 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.782 1.027 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.815 1.554 6.370 1.00 0.00 H new ATOM 0 HG LEU A 19 0.658 3.136 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.128 4.374 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.248 2.678 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.445 3.196 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.942 4.995 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.292 3.841 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.158 3.754 7.607 1.00 0.00 H new ATOM 312 N ALA A 20 -1.223 -1.161 7.530 1.00 0.00 N ATOM 313 CA ALA A 20 -2.048 -2.020 8.367 1.00 0.00 C ATOM 314 C ALA A 20 -1.321 -2.346 9.668 1.00 0.00 C ATOM 315 O ALA A 20 -1.892 -2.246 10.754 1.00 0.00 O ATOM 316 CB ALA A 20 -2.412 -3.300 7.626 1.00 0.00 C ATOM 0 H ALA A 20 -1.030 -1.534 6.601 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.969 -1.489 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.029 -3.929 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.966 -3.051 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.502 -3.837 7.358 1.00 0.00 H new ATOM 322 N ALA A 21 -0.051 -2.721 9.542 1.00 0.00 N ATOM 323 CA ALA A 21 0.776 -3.050 10.691 1.00 0.00 C ATOM 324 C ALA A 21 1.126 -1.797 11.476 1.00 0.00 C ATOM 325 O ALA A 21 1.289 -1.837 12.695 1.00 0.00 O ATOM 326 CB ALA A 21 2.040 -3.764 10.241 1.00 0.00 C ATOM 0 H ALA A 21 0.428 -2.804 8.645 1.00 0.00 H new ATOM 0 HA ALA A 21 0.211 -3.716 11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.651 -4.005 11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.773 -4.683 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.604 -3.117 9.570 1.00 0.00 H new ATOM 332 N LEU A 22 1.249 -0.684 10.763 1.00 0.00 N ATOM 333 CA LEU A 22 1.588 0.584 11.386 1.00 0.00 C ATOM 334 C LEU A 22 0.443 1.086 12.261 1.00 0.00 C ATOM 335 O LEU A 22 0.658 1.526 13.390 1.00 0.00 O ATOM 336 CB LEU A 22 1.932 1.626 10.319 1.00 0.00 C ATOM 337 CG LEU A 22 3.429 1.841 10.086 1.00 0.00 C ATOM 338 CD1 LEU A 22 4.070 0.581 9.526 1.00 0.00 C ATOM 339 CD2 LEU A 22 3.657 3.020 9.150 1.00 0.00 C ATOM 0 H LEU A 22 1.118 -0.637 9.753 1.00 0.00 H new ATOM 0 HA LEU A 22 2.460 0.427 12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.472 1.326 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.483 2.578 10.604 1.00 0.00 H new ATOM 0 HG LEU A 22 3.898 2.066 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.134 0.754 9.367 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.937 -0.239 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.599 0.324 8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.727 3.160 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.174 2.823 8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.234 3.922 9.592 1.00 0.00 H new ATOM 351 N GLN A 23 -0.773 1.018 11.730 1.00 0.00 N ATOM 352 CA GLN A 23 -1.954 1.465 12.459 1.00 0.00 C ATOM 353 C GLN A 23 -2.102 0.719 13.782 1.00 0.00 C ATOM 354 O GLN A 23 -2.713 1.223 14.724 1.00 0.00 O ATOM 355 CB GLN A 23 -3.206 1.271 11.600 1.00 0.00 C ATOM 356 CG GLN A 23 -3.969 2.560 11.343 1.00 0.00 C ATOM 357 CD GLN A 23 -5.405 2.497 11.828 1.00 0.00 C ATOM 358 OE1 GLN A 23 -5.587 2.133 13.093 1.00 0.00 O flip ATOM 359 NE2 GLN A 23 -6.340 2.772 11.076 1.00 0.00 N flip ATOM 0 H GLN A 23 -0.967 0.657 10.796 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.833 2.525 12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.918 0.832 10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.868 0.558 12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.458 3.385 11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.960 2.776 10.275 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.155 3.047 10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.300 2.725 11.418 1.00 0.00 H new ATOM 368 N GLY A 24 -1.540 -0.485 13.849 1.00 0.00 N ATOM 369 CA GLY A 24 -1.623 -1.277 15.063 1.00 0.00 C ATOM 370 C GLY A 24 -2.462 -2.526 14.883 1.00 0.00 C ATOM 371 O GLY A 24 -3.091 -3.003 15.828 1.00 0.00 O ATOM 0 H GLY A 24 -1.029 -0.926 13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.619 -1.560 15.378 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.048 -0.669 15.862 1.00 0.00 H new ATOM 375 N LYS A 25 -2.472 -3.056 13.666 1.00 0.00 N ATOM 376 CA LYS A 25 -3.239 -4.257 13.357 1.00 0.00 C ATOM 377 C LYS A 25 -2.710 -4.919 12.089 1.00 0.00 C ATOM 378 O LYS A 25 -1.664 -4.538 11.573 1.00 0.00 O ATOM 379 CB LYS A 25 -4.721 -3.906 13.194 1.00 0.00 C ATOM 380 CG LYS A 25 -4.969 -2.740 12.252 1.00 0.00 C ATOM 381 CD LYS A 25 -6.168 -1.916 12.690 1.00 0.00 C ATOM 382 CE LYS A 25 -5.937 -1.279 14.051 1.00 0.00 C ATOM 383 NZ LYS A 25 -6.867 -0.142 14.300 1.00 0.00 N ATOM 0 H LYS A 25 -1.956 -2.672 12.875 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.131 -4.961 14.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.255 -4.781 12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.139 -3.668 14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.084 -2.105 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.133 -3.115 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.366 -1.139 11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.053 -2.551 12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.067 -2.031 14.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.908 -0.926 14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.001 -0.021 15.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.465 0.729 13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.784 -0.339 13.851 1.00 0.00 H new ATOM 397 N THR A 26 -3.438 -5.909 11.586 1.00 0.00 N ATOM 398 CA THR A 26 -3.031 -6.610 10.375 1.00 0.00 C ATOM 399 C THR A 26 -3.888 -6.183 9.198 1.00 0.00 C ATOM 400 O THR A 26 -5.078 -5.906 9.350 1.00 0.00 O ATOM 401 CB THR A 26 -3.127 -8.123 10.572 1.00 0.00 C ATOM 402 OG1 THR A 26 -2.649 -8.809 9.428 1.00 0.00 O ATOM 403 CG2 THR A 26 -4.536 -8.604 10.840 1.00 0.00 C ATOM 0 H THR A 26 -4.310 -6.243 11.996 1.00 0.00 H new ATOM 0 HA THR A 26 -1.994 -6.350 10.164 1.00 0.00 H new ATOM 0 HB THR A 26 -2.514 -8.339 11.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.717 -9.776 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.532 -9.686 10.970 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.916 -8.131 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.176 -8.342 9.998 1.00 0.00 H new ATOM 411 N ILE A 27 -3.271 -6.121 8.026 1.00 0.00 N ATOM 412 CA ILE A 27 -3.967 -5.716 6.809 1.00 0.00 C ATOM 413 C ILE A 27 -5.338 -6.379 6.709 1.00 0.00 C ATOM 414 O ILE A 27 -6.298 -5.766 6.245 1.00 0.00 O ATOM 415 CB ILE A 27 -3.135 -6.023 5.535 1.00 0.00 C ATOM 416 CG1 ILE A 27 -4.056 -6.436 4.389 1.00 0.00 C ATOM 417 CG2 ILE A 27 -2.094 -7.099 5.795 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.525 -6.123 3.011 1.00 0.00 C ATOM 0 H ILE A 27 -2.286 -6.347 7.891 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.103 -4.636 6.871 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.606 -5.113 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.241 -7.508 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.017 -5.938 4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.530 -7.288 4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.414 -6.765 6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.590 -8.016 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.244 -6.451 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.367 -5.049 2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.579 -6.643 2.859 1.00 0.00 H new ATOM 430 N LYS A 28 -5.429 -7.625 7.155 1.00 0.00 N ATOM 431 CA LYS A 28 -6.693 -8.350 7.118 1.00 0.00 C ATOM 432 C LYS A 28 -7.819 -7.511 7.727 1.00 0.00 C ATOM 433 O LYS A 28 -8.996 -7.742 7.455 1.00 0.00 O ATOM 434 CB LYS A 28 -6.557 -9.682 7.854 1.00 0.00 C ATOM 435 CG LYS A 28 -7.529 -10.741 7.373 1.00 0.00 C ATOM 436 CD LYS A 28 -7.250 -11.123 5.931 1.00 0.00 C ATOM 437 CE LYS A 28 -6.327 -12.325 5.838 1.00 0.00 C ATOM 438 NZ LYS A 28 -4.950 -11.939 5.421 1.00 0.00 N ATOM 0 H LYS A 28 -4.648 -8.153 7.545 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.947 -8.550 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.539 -10.053 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.711 -9.516 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.453 -11.624 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.550 -10.370 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.189 -11.345 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.800 -10.277 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.286 -12.827 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.735 -13.041 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.256 -12.402 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.788 -12.238 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.843 -10.907 5.491 1.00 0.00 H new ATOM 452 N GLN A 29 -7.442 -6.527 8.540 1.00 0.00 N ATOM 453 CA GLN A 29 -8.400 -5.636 9.176 1.00 0.00 C ATOM 454 C GLN A 29 -8.422 -4.289 8.469 1.00 0.00 C ATOM 455 O GLN A 29 -9.482 -3.770 8.115 1.00 0.00 O ATOM 456 CB GLN A 29 -8.018 -5.413 10.639 1.00 0.00 C ATOM 457 CG GLN A 29 -9.212 -5.321 11.573 1.00 0.00 C ATOM 458 CD GLN A 29 -9.593 -6.664 12.166 1.00 0.00 C ATOM 459 OE1 GLN A 29 -9.484 -7.699 11.510 1.00 0.00 O ATOM 460 NE2 GLN A 29 -10.044 -6.651 13.416 1.00 0.00 N ATOM 0 H GLN A 29 -6.469 -6.328 8.773 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.386 -6.098 9.115 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.374 -6.229 10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.435 -4.496 10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.985 -4.623 12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.064 -4.913 11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.118 -5.769 13.922 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.316 -7.523 13.869 1.00 0.00 H new ATOM 469 N TYR A 30 -7.236 -3.722 8.296 1.00 0.00 N ATOM 470 CA TYR A 30 -7.080 -2.420 7.664 1.00 0.00 C ATOM 471 C TYR A 30 -7.508 -2.439 6.195 1.00 0.00 C ATOM 472 O TYR A 30 -8.325 -1.623 5.768 1.00 0.00 O ATOM 473 CB TYR A 30 -5.619 -1.992 7.781 1.00 0.00 C ATOM 474 CG TYR A 30 -5.310 -0.696 7.083 1.00 0.00 C ATOM 475 CD1 TYR A 30 -5.954 0.472 7.453 1.00 0.00 C ATOM 476 CD2 TYR A 30 -4.381 -0.647 6.055 1.00 0.00 C ATOM 477 CE1 TYR A 30 -5.680 1.667 6.815 1.00 0.00 C ATOM 478 CE2 TYR A 30 -4.099 0.543 5.411 1.00 0.00 C ATOM 479 CZ TYR A 30 -4.750 1.697 5.795 1.00 0.00 C ATOM 480 OH TYR A 30 -4.474 2.885 5.157 1.00 0.00 O ATOM 0 H TYR A 30 -6.358 -4.150 8.589 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.728 -1.708 8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.361 -1.897 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.986 -2.777 7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.681 0.449 8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.871 -1.550 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.190 2.571 7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.373 0.569 4.612 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.797 2.735 4.465 1.00 0.00 H new ATOM 490 N ALA A 31 -6.968 -3.381 5.432 1.00 0.00 N ATOM 491 CA ALA A 31 -7.309 -3.518 4.021 1.00 0.00 C ATOM 492 C ALA A 31 -8.756 -3.935 3.873 1.00 0.00 C ATOM 493 O ALA A 31 -9.464 -3.496 2.971 1.00 0.00 O ATOM 494 CB ALA A 31 -6.404 -4.539 3.360 1.00 0.00 C ATOM 0 H ALA A 31 -6.289 -4.064 5.768 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.168 -2.554 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.669 -4.632 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.367 -4.216 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.525 -5.504 3.851 1.00 0.00 H new ATOM 500 N LEU A 32 -9.180 -4.802 4.773 1.00 0.00 N ATOM 501 CA LEU A 32 -10.529 -5.319 4.760 1.00 0.00 C ATOM 502 C LEU A 32 -11.557 -4.192 4.769 1.00 0.00 C ATOM 503 O LEU A 32 -12.474 -4.166 3.950 1.00 0.00 O ATOM 504 CB LEU A 32 -10.730 -6.227 5.971 1.00 0.00 C ATOM 505 CG LEU A 32 -12.186 -6.508 6.351 1.00 0.00 C ATOM 506 CD1 LEU A 32 -12.892 -7.246 5.228 1.00 0.00 C ATOM 507 CD2 LEU A 32 -12.254 -7.305 7.644 1.00 0.00 C ATOM 0 H LEU A 32 -8.599 -5.164 5.529 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.675 -5.889 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.234 -7.178 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.230 -5.776 6.828 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.694 -5.557 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.926 -7.439 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.872 -6.638 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.385 -8.192 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.296 -7.496 7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.733 -8.253 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.782 -6.738 8.446 1.00 0.00 H new ATOM 519 N GLU A 33 -11.398 -3.270 5.709 1.00 0.00 N ATOM 520 CA GLU A 33 -12.316 -2.145 5.840 1.00 0.00 C ATOM 521 C GLU A 33 -12.162 -1.156 4.690 1.00 0.00 C ATOM 522 O GLU A 33 -13.107 -0.453 4.334 1.00 0.00 O ATOM 523 CB GLU A 33 -12.094 -1.431 7.177 1.00 0.00 C ATOM 524 CG GLU A 33 -13.050 -1.878 8.270 1.00 0.00 C ATOM 525 CD GLU A 33 -14.392 -1.177 8.194 1.00 0.00 C ATOM 526 OE1 GLU A 33 -14.907 -1.002 7.069 1.00 0.00 O ATOM 527 OE2 GLU A 33 -14.928 -0.804 9.259 1.00 0.00 O ATOM 0 H GLU A 33 -10.641 -3.278 6.393 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.330 -2.543 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.070 -1.606 7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.202 -0.357 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.202 -2.955 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.599 -1.686 9.243 1.00 0.00 H new ATOM 534 N ARG A 34 -10.969 -1.100 4.121 1.00 0.00 N ATOM 535 CA ARG A 34 -10.696 -0.187 3.018 1.00 0.00 C ATOM 536 C ARG A 34 -11.242 -0.720 1.696 1.00 0.00 C ATOM 537 O ARG A 34 -11.268 -0.004 0.696 1.00 0.00 O ATOM 538 CB ARG A 34 -9.192 0.074 2.902 1.00 0.00 C ATOM 539 CG ARG A 34 -8.828 1.550 2.902 1.00 0.00 C ATOM 540 CD ARG A 34 -9.071 2.185 4.262 1.00 0.00 C ATOM 541 NE ARG A 34 -8.943 3.640 4.218 1.00 0.00 N ATOM 542 CZ ARG A 34 -9.903 4.456 3.789 1.00 0.00 C ATOM 543 NH1 ARG A 34 -11.059 3.966 3.360 1.00 0.00 N ATOM 544 NH2 ARG A 34 -9.705 5.768 3.788 1.00 0.00 N ATOM 0 H ARG A 34 -10.174 -1.674 4.402 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.206 0.752 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.682 -0.417 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.822 -0.383 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.780 1.667 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.416 2.071 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.068 1.919 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.361 1.780 4.983 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.067 4.055 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.216 2.958 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.790 4.597 3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.818 6.150 4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.440 6.394 3.459 1.00 0.00 H new ATOM 558 N LEU A 35 -11.690 -1.971 1.696 1.00 0.00 N ATOM 559 CA LEU A 35 -12.249 -2.572 0.498 1.00 0.00 C ATOM 560 C LEU A 35 -13.664 -2.063 0.275 1.00 0.00 C ATOM 561 O LEU A 35 -14.171 -2.072 -0.848 1.00 0.00 O ATOM 562 CB LEU A 35 -12.233 -4.095 0.610 1.00 0.00 C ATOM 563 CG LEU A 35 -10.855 -4.728 0.423 1.00 0.00 C ATOM 564 CD1 LEU A 35 -10.957 -6.241 0.404 1.00 0.00 C ATOM 565 CD2 LEU A 35 -10.212 -4.218 -0.853 1.00 0.00 C ATOM 0 H LEU A 35 -11.676 -2.584 2.511 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.638 -2.288 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.620 -4.379 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.913 -4.509 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.226 -4.443 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.964 -6.671 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.379 -6.589 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.601 -6.552 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.231 -4.677 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.841 -4.475 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.102 -3.135 -0.797 1.00 0.00 H new ATOM 618 N ASP A 39 -16.418 6.271 -1.604 1.00 0.00 N ATOM 619 CA ASP A 39 -16.077 7.686 -1.704 1.00 0.00 C ATOM 620 C ASP A 39 -16.325 8.210 -3.115 1.00 0.00 C ATOM 621 O ASP A 39 -15.591 7.884 -4.047 1.00 0.00 O ATOM 622 CB ASP A 39 -14.614 7.910 -1.315 1.00 0.00 C ATOM 623 CG ASP A 39 -14.451 8.252 0.153 1.00 0.00 C ATOM 624 OD1 ASP A 39 -15.381 7.966 0.936 1.00 0.00 O ATOM 625 OD2 ASP A 39 -13.393 8.805 0.520 1.00 0.00 O ATOM 0 HA ASP A 39 -16.718 8.236 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.039 7.012 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.199 8.716 -1.921 1.00 0.00 H new ATOM 630 N ALA A 40 -17.366 9.024 -3.263 1.00 0.00 N ATOM 631 CA ALA A 40 -17.714 9.593 -4.557 1.00 0.00 C ATOM 632 C ALA A 40 -16.744 10.701 -4.965 1.00 0.00 C ATOM 633 O ALA A 40 -16.799 11.199 -6.090 1.00 0.00 O ATOM 634 CB ALA A 40 -19.138 10.124 -4.530 1.00 0.00 C ATOM 0 H ALA A 40 -17.983 9.304 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.641 8.799 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.387 10.547 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.826 9.310 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.224 10.896 -3.766 1.00 0.00 H new ATOM 640 N ASP A 41 -15.857 11.088 -4.049 1.00 0.00 N ATOM 641 CA ASP A 41 -14.883 12.140 -4.324 1.00 0.00 C ATOM 642 C ASP A 41 -14.044 11.805 -5.554 1.00 0.00 C ATOM 643 O ASP A 41 -13.600 12.697 -6.276 1.00 0.00 O ATOM 644 CB ASP A 41 -13.972 12.350 -3.114 1.00 0.00 C ATOM 645 CG ASP A 41 -13.429 11.044 -2.564 1.00 0.00 C ATOM 646 OD1 ASP A 41 -12.936 10.223 -3.365 1.00 0.00 O ATOM 647 OD2 ASP A 41 -13.498 10.845 -1.333 1.00 0.00 O ATOM 0 H ASP A 41 -15.794 10.689 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.432 13.061 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.140 12.996 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.526 12.868 -2.331 1.00 0.00 H new ATOM 652 N ALA A 42 -13.831 10.514 -5.785 1.00 0.00 N ATOM 653 CA ALA A 42 -13.044 10.062 -6.927 1.00 0.00 C ATOM 654 C ALA A 42 -13.692 10.482 -8.243 1.00 0.00 C ATOM 655 O ALA A 42 -13.006 10.874 -9.186 1.00 0.00 O ATOM 656 CB ALA A 42 -12.870 8.552 -6.880 1.00 0.00 C ATOM 0 H ALA A 42 -14.192 9.763 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.063 10.533 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.281 8.227 -7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.356 8.273 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.848 8.072 -6.909 1.00 0.00 H new ATOM 662 N ASP A 43 -15.017 10.395 -8.298 1.00 0.00 N ATOM 663 CA ASP A 43 -15.758 10.764 -9.499 1.00 0.00 C ATOM 664 C ASP A 43 -15.511 12.224 -9.869 1.00 0.00 C ATOM 665 O ASP A 43 -15.556 12.593 -11.042 1.00 0.00 O ATOM 666 CB ASP A 43 -17.255 10.524 -9.291 1.00 0.00 C ATOM 667 CG ASP A 43 -17.562 9.091 -8.907 1.00 0.00 C ATOM 668 OD1 ASP A 43 -16.766 8.196 -9.262 1.00 0.00 O ATOM 669 OD2 ASP A 43 -18.600 8.861 -8.252 1.00 0.00 O ATOM 0 H ASP A 43 -15.600 10.072 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.405 10.139 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -17.623 11.193 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -17.791 10.775 -10.206 1.00 0.00 H new ATOM 674 N GLN A 44 -15.255 13.052 -8.861 1.00 0.00 N ATOM 675 CA GLN A 44 -15.003 14.471 -9.082 1.00 0.00 C ATOM 676 C GLN A 44 -13.514 14.743 -9.285 1.00 0.00 C ATOM 677 O GLN A 44 -13.136 15.737 -9.904 1.00 0.00 O ATOM 678 CB GLN A 44 -15.526 15.292 -7.901 1.00 0.00 C ATOM 679 CG GLN A 44 -15.395 16.794 -8.098 1.00 0.00 C ATOM 680 CD GLN A 44 -16.208 17.587 -7.093 1.00 0.00 C ATOM 681 OE1 GLN A 44 -15.728 17.914 -6.008 1.00 0.00 O ATOM 682 NE2 GLN A 44 -17.448 17.901 -7.451 1.00 0.00 N ATOM 0 H GLN A 44 -15.217 12.764 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 44 -15.531 14.768 -9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -16.575 15.046 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.984 15.004 -7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.346 17.077 -8.015 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.717 17.054 -9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -17.806 17.609 -8.361 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -18.043 18.434 -6.816 1.00 0.00 H new ATOM 691 N ALA A 45 -12.674 13.855 -8.760 1.00 0.00 N ATOM 692 CA ALA A 45 -11.227 14.004 -8.884 1.00 0.00 C ATOM 693 C ALA A 45 -10.809 14.167 -10.342 1.00 0.00 C ATOM 694 O ALA A 45 -10.019 15.051 -10.675 1.00 0.00 O ATOM 695 CB ALA A 45 -10.521 12.808 -8.263 1.00 0.00 C ATOM 0 H ALA A 45 -12.970 13.026 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.934 14.907 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.442 12.931 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.783 12.739 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.831 11.897 -8.775 1.00 0.00 H new ATOM 701 N TRP A 46 -11.341 13.309 -11.206 1.00 0.00 N ATOM 702 CA TRP A 46 -11.021 13.360 -12.629 1.00 0.00 C ATOM 703 C TRP A 46 -11.689 14.554 -13.305 1.00 0.00 C ATOM 704 O TRP A 46 -11.292 14.962 -14.396 1.00 0.00 O ATOM 705 CB TRP A 46 -11.453 12.064 -13.315 1.00 0.00 C ATOM 706 CG TRP A 46 -10.716 10.856 -12.823 1.00 0.00 C ATOM 707 CD1 TRP A 46 -10.967 10.153 -11.679 1.00 0.00 C ATOM 708 CD2 TRP A 46 -9.606 10.209 -13.457 1.00 0.00 C ATOM 709 NE1 TRP A 46 -10.081 9.108 -11.564 1.00 0.00 N ATOM 710 CE2 TRP A 46 -9.236 9.122 -12.643 1.00 0.00 C ATOM 711 CE3 TRP A 46 -8.892 10.443 -14.635 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -8.183 8.272 -12.970 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -7.846 9.599 -14.958 1.00 0.00 C ATOM 714 CH2 TRP A 46 -7.501 8.524 -14.128 1.00 0.00 C ATOM 0 H TRP A 46 -11.995 12.571 -10.947 1.00 0.00 H new ATOM 0 HA TRP A 46 -9.941 13.475 -12.725 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -12.522 11.917 -13.158 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -11.299 12.162 -14.390 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.747 10.384 -10.969 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.057 8.432 -10.800 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.153 11.268 -15.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.914 7.443 -12.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -7.285 9.771 -15.865 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.680 7.881 -14.409 1.00 0.00 H new ATOM 725 N GLN A 47 -12.707 15.110 -12.655 1.00 0.00 N ATOM 726 CA GLN A 47 -13.428 16.256 -13.200 1.00 0.00 C ATOM 727 C GLN A 47 -12.597 17.532 -13.098 1.00 0.00 C ATOM 728 O GLN A 47 -12.818 18.488 -13.840 1.00 0.00 O ATOM 729 CB GLN A 47 -14.763 16.438 -12.472 1.00 0.00 C ATOM 730 CG GLN A 47 -15.965 16.437 -13.402 1.00 0.00 C ATOM 731 CD GLN A 47 -16.451 15.038 -13.726 1.00 0.00 C ATOM 732 OE1 GLN A 47 -15.661 14.096 -13.805 1.00 0.00 O ATOM 733 NE2 GLN A 47 -17.758 14.895 -13.916 1.00 0.00 N ATOM 0 H GLN A 47 -13.051 14.786 -11.751 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.620 16.060 -14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.880 15.640 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.742 17.377 -11.920 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.776 17.002 -12.942 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.704 16.950 -14.327 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.376 15.703 -13.841 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.144 13.977 -14.137 1.00 0.00 H new ATOM 742 N GLU A 48 -11.642 17.540 -12.176 1.00 0.00 N ATOM 743 CA GLU A 48 -10.779 18.700 -11.977 1.00 0.00 C ATOM 744 C GLU A 48 -9.463 18.550 -12.739 1.00 0.00 C ATOM 745 O GLU A 48 -8.647 19.471 -12.764 1.00 0.00 O ATOM 746 CB GLU A 48 -10.499 18.904 -10.488 1.00 0.00 C ATOM 747 CG GLU A 48 -11.685 19.458 -9.716 1.00 0.00 C ATOM 748 CD GLU A 48 -11.818 20.962 -9.852 1.00 0.00 C ATOM 749 OE1 GLU A 48 -12.337 21.420 -10.892 1.00 0.00 O ATOM 750 OE2 GLU A 48 -11.404 21.682 -8.919 1.00 0.00 O ATOM 0 H GLU A 48 -11.445 16.756 -11.554 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.300 19.574 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.203 17.951 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.654 19.583 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.599 18.983 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.580 19.200 -8.662 1.00 0.00 H new ATOM 757 N LEU A 49 -9.260 17.393 -13.367 1.00 0.00 N ATOM 758 CA LEU A 49 -8.043 17.151 -14.130 1.00 0.00 C ATOM 759 C LEU A 49 -7.927 18.164 -15.262 1.00 0.00 C ATOM 760 O LEU A 49 -6.829 18.575 -15.637 1.00 0.00 O ATOM 761 CB LEU A 49 -8.039 15.728 -14.695 1.00 0.00 C ATOM 762 CG LEU A 49 -7.651 14.638 -13.696 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.794 13.261 -14.324 1.00 0.00 C ATOM 764 CD2 LEU A 49 -6.229 14.854 -13.199 1.00 0.00 C ATOM 0 H LEU A 49 -9.919 16.615 -13.361 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.187 17.262 -13.465 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.032 15.505 -15.085 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.349 15.690 -15.538 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.327 14.697 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.513 12.499 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.829 13.107 -14.631 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.143 13.189 -15.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.969 14.069 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.540 14.823 -14.043 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.158 15.825 -12.709 1.00 0.00 H new ATOM 776 N LYS A 50 -9.076 18.573 -15.788 1.00 0.00 N ATOM 777 CA LYS A 50 -9.126 19.552 -16.865 1.00 0.00 C ATOM 778 C LYS A 50 -9.670 20.882 -16.348 1.00 0.00 C ATOM 779 O LYS A 50 -9.405 21.937 -16.922 1.00 0.00 O ATOM 780 CB LYS A 50 -10.002 19.038 -18.010 1.00 0.00 C ATOM 781 CG LYS A 50 -9.704 19.700 -19.346 1.00 0.00 C ATOM 782 CD LYS A 50 -10.981 20.059 -20.090 1.00 0.00 C ATOM 783 CE LYS A 50 -11.328 21.531 -19.928 1.00 0.00 C ATOM 784 NZ LYS A 50 -11.687 22.162 -21.229 1.00 0.00 N ATOM 0 H LYS A 50 -9.990 18.239 -15.483 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.114 19.707 -17.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.863 17.961 -18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.050 19.203 -17.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.112 20.601 -19.182 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.102 19.029 -19.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.864 19.827 -21.148 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.803 19.448 -19.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.161 21.634 -19.232 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.480 22.058 -19.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.917 23.165 -21.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.883 22.087 -21.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.512 21.676 -21.635 1.00 0.00 H new ATOM 798 N THR A 51 -10.431 20.820 -15.257 1.00 0.00 N ATOM 799 CA THR A 51 -11.012 22.015 -14.657 1.00 0.00 C ATOM 800 C THR A 51 -10.147 22.524 -13.508 1.00 0.00 C ATOM 801 O THR A 51 -10.132 21.942 -12.424 1.00 0.00 O ATOM 802 CB THR A 51 -12.427 21.722 -14.155 1.00 0.00 C ATOM 803 OG1 THR A 51 -13.038 20.712 -14.938 1.00 0.00 O ATOM 804 CG2 THR A 51 -13.334 22.934 -14.180 1.00 0.00 C ATOM 0 H THR A 51 -10.659 19.952 -14.771 1.00 0.00 H new ATOM 0 HA THR A 51 -11.058 22.789 -15.423 1.00 0.00 H new ATOM 0 HB THR A 51 -12.306 21.400 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.384 20.008 -14.351 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.322 22.657 -13.812 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.916 23.715 -13.545 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.419 23.304 -15.202 1.00 0.00 H new ATOM 812 N MET A 52 -9.429 23.614 -13.754 1.00 0.00 N ATOM 813 CA MET A 52 -8.561 24.202 -12.741 1.00 0.00 C ATOM 814 C MET A 52 -8.015 25.548 -13.206 1.00 0.00 C ATOM 815 O MET A 52 -7.935 25.816 -14.405 1.00 0.00 O ATOM 816 CB MET A 52 -7.403 23.254 -12.417 1.00 0.00 C ATOM 817 CG MET A 52 -6.814 23.464 -11.033 1.00 0.00 C ATOM 818 SD MET A 52 -5.337 24.496 -11.054 1.00 0.00 S ATOM 819 CE MET A 52 -5.419 25.241 -9.428 1.00 0.00 C ATOM 0 H MET A 52 -9.431 24.108 -14.646 1.00 0.00 H new ATOM 0 HA MET A 52 -9.154 24.362 -11.840 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.752 22.225 -12.502 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.617 23.386 -13.161 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.564 23.924 -10.389 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.569 22.496 -10.596 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.754 26.104 -9.389 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.441 25.561 -9.226 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.112 24.512 -8.678 1.00 0.00 H new ATOM 829 N LEU A 53 -7.641 26.392 -12.249 1.00 0.00 N ATOM 830 CA LEU A 53 -7.102 27.711 -12.561 1.00 0.00 C ATOM 831 C LEU A 53 -5.580 27.670 -12.639 1.00 0.00 C ATOM 832 O LEU A 53 -4.904 27.408 -11.645 1.00 0.00 O ATOM 833 CB LEU A 53 -7.545 28.728 -11.508 1.00 0.00 C ATOM 834 CG LEU A 53 -7.259 28.328 -10.059 1.00 0.00 C ATOM 835 CD1 LEU A 53 -6.763 29.525 -9.261 1.00 0.00 C ATOM 836 CD2 LEU A 53 -8.501 27.734 -9.414 1.00 0.00 C ATOM 0 H LEU A 53 -7.701 26.186 -11.252 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.489 28.015 -13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.050 29.677 -11.711 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.616 28.898 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.476 27.569 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.565 29.220 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.846 29.906 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.522 30.307 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.278 27.456 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.304 28.471 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.812 26.849 -9.970 1.00 0.00 H new ATOM 848 N GLY A 54 -5.047 27.933 -13.829 1.00 0.00 N ATOM 849 CA GLY A 54 -3.608 27.922 -14.015 1.00 0.00 C ATOM 850 C GLY A 54 -3.003 29.311 -13.954 1.00 0.00 C ATOM 851 O GLY A 54 -1.927 29.502 -13.387 1.00 0.00 O ATOM 0 H GLY A 54 -5.586 28.153 -14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.151 27.296 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.373 27.469 -14.978 1.00 0.00 H new ATOM 855 N ASN A 55 -3.695 30.282 -14.541 1.00 0.00 N ATOM 856 CA ASN A 55 -3.219 31.660 -14.552 1.00 0.00 C ATOM 857 C ASN A 55 -3.659 32.397 -13.290 1.00 0.00 C ATOM 858 O ASN A 55 -4.245 31.804 -12.385 1.00 0.00 O ATOM 859 CB ASN A 55 -3.736 32.390 -15.793 1.00 0.00 C ATOM 860 CG ASN A 55 -2.675 32.527 -16.868 1.00 0.00 C ATOM 861 OD1 ASN A 55 -2.804 31.972 -17.958 1.00 0.00 O ATOM 862 ND2 ASN A 55 -1.616 33.270 -16.563 1.00 0.00 N ATOM 0 H ASN A 55 -4.587 30.140 -15.015 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.129 31.643 -14.579 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.592 31.850 -16.198 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.090 33.381 -15.507 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.869 33.398 -17.246 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.550 33.712 -15.646 1.00 0.00 H new ATOM 1299 N SER B 102 2.748 -10.035 -5.274 1.00 0.00 N ATOM 1300 CA SER B 102 2.278 -9.798 -3.915 1.00 0.00 C ATOM 1301 C SER B 102 0.785 -10.087 -3.802 1.00 0.00 C ATOM 1302 O SER B 102 -0.039 -9.174 -3.838 1.00 0.00 O ATOM 1303 CB SER B 102 2.567 -8.354 -3.501 1.00 0.00 C ATOM 1304 OG SER B 102 2.959 -8.282 -2.140 1.00 0.00 O ATOM 0 HA SER B 102 2.811 -10.473 -3.245 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.355 -7.942 -4.132 1.00 0.00 H new ATOM 0 HB3 SER B 102 1.679 -7.742 -3.660 1.00 0.00 H new ATOM 0 HG SER B 102 2.186 -8.467 -1.567 1.00 0.00 H new ATOM 1310 N ARG B 103 0.445 -11.364 -3.671 1.00 0.00 N ATOM 1311 CA ARG B 103 -0.947 -11.787 -3.563 1.00 0.00 C ATOM 1312 C ARG B 103 -1.363 -11.930 -2.103 1.00 0.00 C ATOM 1313 O ARG B 103 -0.769 -12.710 -1.357 1.00 0.00 O ATOM 1314 CB ARG B 103 -1.137 -13.124 -4.289 1.00 0.00 C ATOM 1315 CG ARG B 103 -2.490 -13.283 -4.963 1.00 0.00 C ATOM 1316 CD ARG B 103 -2.645 -14.667 -5.575 1.00 0.00 C ATOM 1317 NE ARG B 103 -2.487 -14.647 -7.028 1.00 0.00 N ATOM 1318 CZ ARG B 103 -3.468 -14.353 -7.877 1.00 0.00 C ATOM 1319 NH1 ARG B 103 -4.676 -14.034 -7.427 1.00 0.00 N ATOM 1320 NH2 ARG B 103 -3.242 -14.373 -9.184 1.00 0.00 N ATOM 0 H ARG B 103 1.119 -12.129 -3.637 1.00 0.00 H new ATOM 0 HA ARG B 103 -1.575 -11.025 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -0.355 -13.230 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -1.003 -13.935 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -3.283 -13.115 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -2.603 -12.526 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -1.906 -15.340 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -3.627 -15.066 -5.323 1.00 0.00 H new ATOM 0 HE ARG B 103 -1.570 -14.872 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -4.857 -14.013 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -5.423 -13.810 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -2.316 -14.614 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -3.994 -14.148 -9.835 1.00 0.00 H new ATOM 1334 N LEU B 104 -2.386 -11.180 -1.694 1.00 0.00 N ATOM 1335 CA LEU B 104 -2.865 -11.245 -0.320 1.00 0.00 C ATOM 1336 C LEU B 104 -4.207 -11.961 -0.255 1.00 0.00 C ATOM 1337 O LEU B 104 -5.138 -11.624 -0.988 1.00 0.00 O ATOM 1338 CB LEU B 104 -2.968 -9.827 0.274 1.00 0.00 C ATOM 1339 CG LEU B 104 -4.290 -9.472 0.974 1.00 0.00 C ATOM 1340 CD1 LEU B 104 -4.172 -9.673 2.480 1.00 0.00 C ATOM 1341 CD2 LEU B 104 -4.690 -8.038 0.657 1.00 0.00 C ATOM 0 H LEU B 104 -2.893 -10.527 -2.291 1.00 0.00 H new ATOM 0 HA LEU B 104 -2.151 -11.815 0.274 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -2.157 -9.697 0.990 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -2.803 -9.108 -0.528 1.00 0.00 H new ATOM 0 HG LEU B 104 -5.067 -10.139 0.600 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -5.118 -9.416 2.957 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -3.931 -10.715 2.690 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.383 -9.032 2.872 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -5.628 -7.802 1.160 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -3.912 -7.358 1.003 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -4.817 -7.925 -0.420 1.00 0.00 H new ATOM 1353 N THR B 105 -4.311 -12.935 0.638 1.00 0.00 N ATOM 1354 CA THR B 105 -5.553 -13.671 0.809 1.00 0.00 C ATOM 1355 C THR B 105 -6.315 -13.117 2.001 1.00 0.00 C ATOM 1356 O THR B 105 -5.801 -13.095 3.120 1.00 0.00 O ATOM 1357 CB THR B 105 -5.286 -15.163 0.998 1.00 0.00 C ATOM 1358 OG1 THR B 105 -4.407 -15.648 -0.001 1.00 0.00 O ATOM 1359 CG2 THR B 105 -6.548 -15.994 0.949 1.00 0.00 C ATOM 0 H THR B 105 -3.553 -13.232 1.252 1.00 0.00 H new ATOM 0 HA THR B 105 -6.154 -13.550 -0.092 1.00 0.00 H new ATOM 0 HB THR B 105 -4.839 -15.260 1.987 1.00 0.00 H new ATOM 0 HG1 THR B 105 -4.248 -16.605 0.140 1.00 0.00 H new ATOM 0 HG21 THR B 105 -6.297 -17.045 1.089 1.00 0.00 H new ATOM 0 HG22 THR B 105 -7.225 -15.674 1.741 1.00 0.00 H new ATOM 0 HG23 THR B 105 -7.033 -15.862 -0.018 1.00 0.00 H new ATOM 1367 N ILE B 106 -7.531 -12.648 1.757 1.00 0.00 N ATOM 1368 CA ILE B 106 -8.342 -12.068 2.818 1.00 0.00 C ATOM 1369 C ILE B 106 -9.609 -12.871 3.079 1.00 0.00 C ATOM 1370 O ILE B 106 -10.273 -13.329 2.149 1.00 0.00 O ATOM 1371 CB ILE B 106 -8.739 -10.615 2.486 1.00 0.00 C ATOM 1372 CG1 ILE B 106 -7.541 -9.831 1.982 1.00 0.00 C ATOM 1373 CG2 ILE B 106 -9.319 -9.927 3.708 1.00 0.00 C ATOM 1374 CD1 ILE B 106 -7.923 -8.548 1.290 1.00 0.00 C ATOM 0 H ILE B 106 -7.976 -12.658 0.839 1.00 0.00 H new ATOM 0 HA ILE B 106 -7.723 -12.087 3.715 1.00 0.00 H new ATOM 0 HB ILE B 106 -9.496 -10.647 1.702 1.00 0.00 H new ATOM 0 HG12 ILE B 106 -6.885 -9.602 2.822 1.00 0.00 H new ATOM 0 HG13 ILE B 106 -6.971 -10.453 1.292 1.00 0.00 H new ATOM 0 HG21 ILE B 106 -9.593 -8.903 3.453 1.00 0.00 H new ATOM 0 HG22 ILE B 106 -10.205 -10.467 4.043 1.00 0.00 H new ATOM 0 HG23 ILE B 106 -8.577 -9.916 4.506 1.00 0.00 H new ATOM 0 HD11 ILE B 106 -7.023 -8.034 0.953 1.00 0.00 H new ATOM 0 HD12 ILE B 106 -8.556 -8.772 0.431 1.00 0.00 H new ATOM 0 HD13 ILE B 106 -8.468 -7.908 1.984 1.00 0.00 H new ATOM 1386 N ASP B 107 -9.953 -13.007 4.357 1.00 0.00 N ATOM 1387 CA ASP B 107 -11.157 -13.716 4.752 1.00 0.00 C ATOM 1388 C ASP B 107 -12.259 -12.698 4.990 1.00 0.00 C ATOM 1389 O ASP B 107 -12.079 -11.739 5.741 1.00 0.00 O ATOM 1390 CB ASP B 107 -10.912 -14.543 6.014 1.00 0.00 C ATOM 1391 CG ASP B 107 -11.724 -15.823 6.033 1.00 0.00 C ATOM 1392 OD1 ASP B 107 -12.918 -15.764 6.394 1.00 0.00 O ATOM 1393 OD2 ASP B 107 -11.167 -16.886 5.685 1.00 0.00 O ATOM 0 H ASP B 107 -9.410 -12.633 5.135 1.00 0.00 H new ATOM 0 HA ASP B 107 -11.451 -14.405 3.960 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -9.852 -14.787 6.085 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -11.161 -13.945 6.891 1.00 0.00 H new ATOM 1398 N MET B 108 -13.380 -12.881 4.315 1.00 0.00 N ATOM 1399 CA MET B 108 -14.487 -11.944 4.419 1.00 0.00 C ATOM 1400 C MET B 108 -15.779 -12.646 4.806 1.00 0.00 C ATOM 1401 O MET B 108 -15.900 -13.862 4.687 1.00 0.00 O ATOM 1402 CB MET B 108 -14.647 -11.208 3.086 1.00 0.00 C ATOM 1403 CG MET B 108 -13.343 -11.084 2.315 1.00 0.00 C ATOM 1404 SD MET B 108 -12.284 -9.821 3.017 1.00 0.00 S ATOM 1405 CE MET B 108 -12.245 -8.671 1.661 1.00 0.00 C ATOM 0 H MET B 108 -13.549 -13.669 3.689 1.00 0.00 H new ATOM 0 HA MET B 108 -14.265 -11.226 5.209 1.00 0.00 H new ATOM 0 HB2 MET B 108 -15.377 -11.735 2.472 1.00 0.00 H new ATOM 0 HB3 MET B 108 -15.048 -10.212 3.273 1.00 0.00 H new ATOM 0 HG2 MET B 108 -12.823 -12.042 2.321 1.00 0.00 H new ATOM 0 HG3 MET B 108 -13.556 -10.844 1.273 1.00 0.00 H new ATOM 0 HE1 MET B 108 -11.212 -8.404 1.440 1.00 0.00 H new ATOM 0 HE2 MET B 108 -12.697 -9.130 0.782 1.00 0.00 H new ATOM 0 HE3 MET B 108 -12.802 -7.773 1.929 1.00 0.00 H new ATOM 1415 N THR B 109 -16.742 -11.863 5.278 1.00 0.00 N ATOM 1416 CA THR B 109 -18.030 -12.400 5.690 1.00 0.00 C ATOM 1417 C THR B 109 -18.983 -12.482 4.505 1.00 0.00 C ATOM 1418 O THR B 109 -18.861 -11.727 3.541 1.00 0.00 O ATOM 1419 CB THR B 109 -18.636 -11.539 6.802 1.00 0.00 C ATOM 1420 OG1 THR B 109 -17.884 -10.354 6.992 1.00 0.00 O ATOM 1421 CG2 THR B 109 -18.703 -12.254 8.131 1.00 0.00 C ATOM 0 H THR B 109 -16.653 -10.852 5.384 1.00 0.00 H new ATOM 0 HA THR B 109 -17.873 -13.408 6.075 1.00 0.00 H new ATOM 0 HB THR B 109 -19.649 -11.311 6.472 1.00 0.00 H new ATOM 0 HG1 THR B 109 -18.291 -9.819 7.706 1.00 0.00 H new ATOM 0 HG21 THR B 109 -19.141 -11.593 8.878 1.00 0.00 H new ATOM 0 HG22 THR B 109 -19.318 -13.148 8.032 1.00 0.00 H new ATOM 0 HG23 THR B 109 -17.698 -12.538 8.443 1.00 0.00 H new ATOM 1429 N ASP B 110 -19.930 -13.409 4.579 1.00 0.00 N ATOM 1430 CA ASP B 110 -20.903 -13.600 3.510 1.00 0.00 C ATOM 1431 C ASP B 110 -21.638 -12.303 3.184 1.00 0.00 C ATOM 1432 O ASP B 110 -21.741 -11.919 2.020 1.00 0.00 O ATOM 1433 CB ASP B 110 -21.906 -14.686 3.899 1.00 0.00 C ATOM 1434 CG ASP B 110 -22.499 -14.458 5.276 1.00 0.00 C ATOM 1435 OD1 ASP B 110 -21.729 -14.438 6.259 1.00 0.00 O ATOM 1436 OD2 ASP B 110 -23.735 -14.300 5.372 1.00 0.00 O ATOM 0 H ASP B 110 -20.045 -14.042 5.370 1.00 0.00 H new ATOM 0 HA ASP B 110 -20.361 -13.912 2.618 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -22.708 -14.717 3.162 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -21.413 -15.658 3.875 1.00 0.00 H new ATOM 1441 N GLN B 111 -22.156 -11.640 4.212 1.00 0.00 N ATOM 1442 CA GLN B 111 -22.895 -10.394 4.023 1.00 0.00 C ATOM 1443 C GLN B 111 -21.982 -9.250 3.577 1.00 0.00 C ATOM 1444 O GLN B 111 -22.288 -8.542 2.619 1.00 0.00 O ATOM 1445 CB GLN B 111 -23.621 -10.005 5.314 1.00 0.00 C ATOM 1446 CG GLN B 111 -22.731 -10.008 6.549 1.00 0.00 C ATOM 1447 CD GLN B 111 -22.398 -8.609 7.031 1.00 0.00 C ATOM 1448 OE1 GLN B 111 -21.436 -7.994 6.571 1.00 0.00 O ATOM 1449 NE2 GLN B 111 -23.193 -8.100 7.964 1.00 0.00 N ATOM 0 H GLN B 111 -22.079 -11.942 5.183 1.00 0.00 H new ATOM 0 HA GLN B 111 -23.625 -10.567 3.232 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -24.052 -9.011 5.191 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -24.450 -10.694 5.474 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -23.229 -10.555 7.350 1.00 0.00 H new ATOM 0 HG3 GLN B 111 -21.807 -10.541 6.325 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -23.979 -8.645 8.317 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -23.018 -7.163 8.328 1.00 0.00 H new ATOM 1458 N GLN B 112 -20.873 -9.060 4.282 1.00 0.00 N ATOM 1459 CA GLN B 112 -19.936 -7.990 3.953 1.00 0.00 C ATOM 1460 C GLN B 112 -19.271 -8.215 2.596 1.00 0.00 C ATOM 1461 O GLN B 112 -19.218 -7.309 1.764 1.00 0.00 O ATOM 1462 CB GLN B 112 -18.872 -7.863 5.047 1.00 0.00 C ATOM 1463 CG GLN B 112 -18.626 -6.431 5.500 1.00 0.00 C ATOM 1464 CD GLN B 112 -18.443 -5.470 4.341 1.00 0.00 C ATOM 1465 OE1 GLN B 112 -17.720 -5.908 3.318 1.00 0.00 O flip ATOM 1466 NE2 GLN B 112 -18.945 -4.346 4.367 1.00 0.00 N flip ATOM 0 H GLN B 112 -20.600 -9.630 5.083 1.00 0.00 H new ATOM 0 HA GLN B 112 -20.504 -7.062 3.893 1.00 0.00 H new ATOM 0 HB2 GLN B 112 -19.176 -8.459 5.907 1.00 0.00 H new ATOM 0 HB3 GLN B 112 -17.936 -8.285 4.681 1.00 0.00 H new ATOM 0 HG2 GLN B 112 -19.465 -6.099 6.112 1.00 0.00 H new ATOM 0 HG3 GLN B 112 -17.739 -6.402 6.133 1.00 0.00 H new ATOM 0 HE21 GLN B 112 -19.494 -4.051 5.175 1.00 0.00 H new ATOM 0 HE22 GLN B 112 -18.812 -3.710 3.581 1.00 0.00 H new ATOM 1475 N HIS B 113 -18.751 -9.422 2.384 1.00 0.00 N ATOM 1476 CA HIS B 113 -18.072 -9.760 1.133 1.00 0.00 C ATOM 1477 C HIS B 113 -18.904 -9.385 -0.087 1.00 0.00 C ATOM 1478 O HIS B 113 -18.394 -8.785 -1.025 1.00 0.00 O ATOM 1479 CB HIS B 113 -17.739 -11.252 1.089 1.00 0.00 C ATOM 1480 CG HIS B 113 -16.820 -11.636 -0.035 1.00 0.00 C ATOM 1481 ND1 HIS B 113 -16.211 -12.872 -0.116 1.00 0.00 N ATOM 1482 CD2 HIS B 113 -16.405 -10.946 -1.128 1.00 0.00 C ATOM 1483 CE1 HIS B 113 -15.465 -12.925 -1.205 1.00 0.00 C ATOM 1484 NE2 HIS B 113 -15.567 -11.771 -1.835 1.00 0.00 N ATOM 0 H HIS B 113 -18.786 -10.183 3.062 1.00 0.00 H new ATOM 0 HA HIS B 113 -17.150 -9.180 1.103 1.00 0.00 H new ATOM 0 HB2 HIS B 113 -17.281 -11.540 2.035 1.00 0.00 H new ATOM 0 HB3 HIS B 113 -18.666 -11.819 0.998 1.00 0.00 H new ATOM 0 HD2 HIS B 113 -16.683 -9.936 -1.392 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -14.873 -13.769 -1.525 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -15.098 -11.530 -2.708 1.00 0.00 H new ATOM 1493 N GLN B 114 -20.185 -9.733 -0.071 1.00 0.00 N ATOM 1494 CA GLN B 114 -21.071 -9.427 -1.184 1.00 0.00 C ATOM 1495 C GLN B 114 -21.229 -7.930 -1.331 1.00 0.00 C ATOM 1496 O GLN B 114 -21.421 -7.414 -2.433 1.00 0.00 O ATOM 1497 CB GLN B 114 -22.437 -10.074 -0.974 1.00 0.00 C ATOM 1498 CG GLN B 114 -23.120 -9.654 0.314 1.00 0.00 C ATOM 1499 CD GLN B 114 -24.589 -10.031 0.347 1.00 0.00 C ATOM 1500 OE1 GLN B 114 -25.419 -9.395 -0.303 1.00 0.00 O ATOM 1501 NE2 GLN B 114 -24.916 -11.069 1.107 1.00 0.00 N ATOM 0 H GLN B 114 -20.632 -10.227 0.701 1.00 0.00 H new ATOM 0 HA GLN B 114 -20.629 -9.829 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN B 114 -23.082 -9.822 -1.816 1.00 0.00 H new ATOM 0 HB3 GLN B 114 -22.320 -11.158 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN B 114 -22.611 -10.118 1.159 1.00 0.00 H new ATOM 0 HG3 GLN B 114 -23.023 -8.575 0.437 1.00 0.00 H new ATOM 0 HE21 GLN B 114 -24.194 -11.567 1.629 1.00 0.00 H new ATOM 0 HE22 GLN B 114 -25.889 -11.369 1.169 1.00 0.00 H new ATOM 1510 N SER B 115 -21.146 -7.235 -0.208 1.00 0.00 N ATOM 1511 CA SER B 115 -21.278 -5.793 -0.205 1.00 0.00 C ATOM 1512 C SER B 115 -20.186 -5.158 -1.061 1.00 0.00 C ATOM 1513 O SER B 115 -20.465 -4.323 -1.922 1.00 0.00 O ATOM 1514 CB SER B 115 -21.209 -5.252 1.224 1.00 0.00 C ATOM 1515 OG SER B 115 -21.855 -3.994 1.327 1.00 0.00 O ATOM 0 H SER B 115 -20.988 -7.649 0.711 1.00 0.00 H new ATOM 0 HA SER B 115 -22.249 -5.535 -0.628 1.00 0.00 H new ATOM 0 HB2 SER B 115 -21.677 -5.961 1.907 1.00 0.00 H new ATOM 0 HB3 SER B 115 -20.167 -5.155 1.529 1.00 0.00 H new ATOM 0 HG SER B 115 -21.798 -3.672 2.251 1.00 0.00 H new ATOM 1521 N LEU B 116 -18.945 -5.574 -0.827 1.00 0.00 N ATOM 1522 CA LEU B 116 -17.811 -5.060 -1.585 1.00 0.00 C ATOM 1523 C LEU B 116 -17.688 -5.783 -2.927 1.00 0.00 C ATOM 1524 O LEU B 116 -17.240 -5.207 -3.918 1.00 0.00 O ATOM 1525 CB LEU B 116 -16.520 -5.194 -0.762 1.00 0.00 C ATOM 1526 CG LEU B 116 -15.603 -6.365 -1.131 1.00 0.00 C ATOM 1527 CD1 LEU B 116 -14.565 -5.920 -2.149 1.00 0.00 C ATOM 1528 CD2 LEU B 116 -14.927 -6.925 0.113 1.00 0.00 C ATOM 0 H LEU B 116 -18.700 -6.266 -0.118 1.00 0.00 H new ATOM 0 HA LEU B 116 -17.976 -4.003 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -15.952 -4.269 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -16.792 -5.289 0.289 1.00 0.00 H new ATOM 0 HG LEU B 116 -16.208 -7.155 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -13.920 -6.761 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -15.067 -5.564 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -13.963 -5.116 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -14.280 -7.756 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -14.331 -6.144 0.586 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -15.686 -7.276 0.812 1.00 0.00 H new ATOM 1540 N LYS B 117 -18.096 -7.051 -2.945 1.00 0.00 N ATOM 1541 CA LYS B 117 -18.043 -7.863 -4.158 1.00 0.00 C ATOM 1542 C LYS B 117 -18.955 -7.273 -5.230 1.00 0.00 C ATOM 1543 O LYS B 117 -18.563 -7.126 -6.387 1.00 0.00 O ATOM 1544 CB LYS B 117 -18.471 -9.303 -3.849 1.00 0.00 C ATOM 1545 CG LYS B 117 -17.934 -10.334 -4.829 1.00 0.00 C ATOM 1546 CD LYS B 117 -18.482 -10.115 -6.230 1.00 0.00 C ATOM 1547 CE LYS B 117 -17.446 -9.467 -7.133 1.00 0.00 C ATOM 1548 NZ LYS B 117 -16.725 -10.471 -7.963 1.00 0.00 N ATOM 0 H LYS B 117 -18.468 -7.539 -2.130 1.00 0.00 H new ATOM 0 HA LYS B 117 -17.018 -7.867 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS B 117 -18.136 -9.563 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS B 117 -19.560 -9.354 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS B 117 -16.845 -10.283 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS B 117 -18.199 -11.334 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS B 117 -18.792 -11.070 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS B 117 -19.370 -9.485 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS B 117 -17.935 -8.742 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS B 117 -16.728 -8.916 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -16.039 -9.986 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 -16.223 -11.138 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 -17.408 -10.991 -8.550 1.00 0.00 H new ATOM 1562 N ALA B 118 -20.179 -6.942 -4.830 1.00 0.00 N ATOM 1563 CA ALA B 118 -21.161 -6.374 -5.744 1.00 0.00 C ATOM 1564 C ALA B 118 -20.687 -5.043 -6.317 1.00 0.00 C ATOM 1565 O ALA B 118 -20.868 -4.772 -7.504 1.00 0.00 O ATOM 1566 CB ALA B 118 -22.497 -6.198 -5.038 1.00 0.00 C ATOM 0 H ALA B 118 -20.514 -7.059 -3.874 1.00 0.00 H new ATOM 0 HA ALA B 118 -21.285 -7.069 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -23.222 -5.773 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.854 -7.167 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.373 -5.528 -4.187 1.00 0.00 H new ATOM 1572 N LEU B 119 -20.076 -4.213 -5.474 1.00 0.00 N ATOM 1573 CA LEU B 119 -19.581 -2.916 -5.918 1.00 0.00 C ATOM 1574 C LEU B 119 -18.571 -3.087 -7.045 1.00 0.00 C ATOM 1575 O LEU B 119 -18.484 -2.254 -7.948 1.00 0.00 O ATOM 1576 CB LEU B 119 -18.948 -2.156 -4.751 1.00 0.00 C ATOM 1577 CG LEU B 119 -19.832 -1.062 -4.149 1.00 0.00 C ATOM 1578 CD1 LEU B 119 -19.898 -1.192 -2.635 1.00 0.00 C ATOM 1579 CD2 LEU B 119 -19.322 0.317 -4.545 1.00 0.00 C ATOM 0 H LEU B 119 -19.914 -4.415 -4.487 1.00 0.00 H new ATOM 0 HA LEU B 119 -20.425 -2.337 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU B 119 -18.690 -2.869 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU B 119 -18.016 -1.705 -5.091 1.00 0.00 H new ATOM 0 HG LEU B 119 -20.840 -1.184 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU B 119 -20.532 -0.404 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU B 119 -20.314 -2.164 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 119 -18.895 -1.102 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU B 119 -19.964 1.082 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU B 119 -18.303 0.446 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU B 119 -19.334 0.411 -5.631 1.00 0.00 H new ATOM 1591 N ALA B 120 -17.819 -4.180 -6.993 1.00 0.00 N ATOM 1592 CA ALA B 120 -16.826 -4.468 -8.016 1.00 0.00 C ATOM 1593 C ALA B 120 -17.494 -4.657 -9.372 1.00 0.00 C ATOM 1594 O ALA B 120 -17.105 -4.038 -10.361 1.00 0.00 O ATOM 1595 CB ALA B 120 -16.031 -5.708 -7.648 1.00 0.00 C ATOM 0 H ALA B 120 -17.879 -4.880 -6.253 1.00 0.00 H new ATOM 0 HA ALA B 120 -16.144 -3.620 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -15.292 -5.910 -8.424 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -15.524 -5.546 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -16.706 -6.560 -7.559 1.00 0.00 H new ATOM 1601 N ALA B 121 -18.510 -5.515 -9.402 1.00 0.00 N ATOM 1602 CA ALA B 121 -19.246 -5.792 -10.623 1.00 0.00 C ATOM 1603 C ALA B 121 -20.102 -4.600 -11.011 1.00 0.00 C ATOM 1604 O ALA B 121 -20.319 -4.332 -12.192 1.00 0.00 O ATOM 1605 CB ALA B 121 -20.108 -7.033 -10.447 1.00 0.00 C ATOM 0 H ALA B 121 -18.841 -6.031 -8.587 1.00 0.00 H new ATOM 0 HA ALA B 121 -18.532 -5.975 -11.426 1.00 0.00 H new ATOM 0 HB1 ALA B 121 -20.655 -7.230 -11.369 1.00 0.00 H new ATOM 0 HB2 ALA B 121 -19.473 -7.887 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA B 121 -20.815 -6.872 -9.633 1.00 0.00 H new ATOM 1611 N LEU B 122 -20.583 -3.883 -10.002 1.00 0.00 N ATOM 1612 CA LEU B 122 -21.411 -2.714 -10.235 1.00 0.00 C ATOM 1613 C LEU B 122 -20.652 -1.674 -11.048 1.00 0.00 C ATOM 1614 O LEU B 122 -21.171 -1.122 -12.018 1.00 0.00 O ATOM 1615 CB LEU B 122 -21.875 -2.118 -8.913 1.00 0.00 C ATOM 1616 CG LEU B 122 -23.379 -2.216 -8.677 1.00 0.00 C ATOM 1617 CD1 LEU B 122 -24.150 -1.690 -9.879 1.00 0.00 C ATOM 1618 CD2 LEU B 122 -23.777 -3.651 -8.369 1.00 0.00 C ATOM 0 H LEU B 122 -20.412 -4.093 -9.018 1.00 0.00 H new ATOM 0 HA LEU B 122 -22.288 -3.023 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -21.357 -2.623 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -21.580 -1.069 -8.877 1.00 0.00 H new ATOM 0 HG LEU B 122 -23.631 -1.597 -7.816 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.220 -1.770 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.889 -0.646 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -23.894 -2.277 -10.761 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -24.853 -3.703 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -23.508 -4.291 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.255 -3.989 -7.474 1.00 0.00 H new ATOM 1630 N GLN B 123 -19.412 -1.421 -10.645 1.00 0.00 N ATOM 1631 CA GLN B 123 -18.562 -0.459 -11.331 1.00 0.00 C ATOM 1632 C GLN B 123 -18.245 -0.930 -12.748 1.00 0.00 C ATOM 1633 O GLN B 123 -18.044 -0.118 -13.652 1.00 0.00 O ATOM 1634 CB GLN B 123 -17.270 -0.246 -10.539 1.00 0.00 C ATOM 1635 CG GLN B 123 -17.069 1.188 -10.079 1.00 0.00 C ATOM 1636 CD GLN B 123 -16.445 2.062 -11.150 1.00 0.00 C ATOM 1637 OE1 GLN B 123 -15.254 1.952 -11.439 1.00 0.00 O ATOM 1638 NE2 GLN B 123 -17.249 2.935 -11.744 1.00 0.00 N ATOM 0 H GLN B 123 -18.973 -1.872 -9.843 1.00 0.00 H new ATOM 0 HA GLN B 123 -19.096 0.489 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN B 123 -17.275 -0.901 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN B 123 -16.422 -0.543 -11.156 1.00 0.00 H new ATOM 0 HG2 GLN B 123 -18.030 1.610 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN B 123 -16.434 1.196 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN B 123 -18.230 2.991 -11.472 1.00 0.00 H new ATOM 0 HE22 GLN B 123 -16.885 3.549 -12.472 1.00 0.00 H new ATOM 1647 N GLY B 124 -18.209 -2.248 -12.939 1.00 0.00 N ATOM 1648 CA GLY B 124 -17.924 -2.800 -14.252 1.00 0.00 C ATOM 1649 C GLY B 124 -16.676 -3.664 -14.272 1.00 0.00 C ATOM 1650 O GLY B 124 -15.980 -3.732 -15.285 1.00 0.00 O ATOM 0 H GLY B 124 -18.372 -2.941 -12.209 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -18.776 -3.394 -14.584 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -17.807 -1.985 -14.966 1.00 0.00 H new ATOM 1654 N LYS B 125 -16.391 -4.325 -13.155 1.00 0.00 N ATOM 1655 CA LYS B 125 -15.217 -5.186 -13.057 1.00 0.00 C ATOM 1656 C LYS B 125 -15.362 -6.180 -11.906 1.00 0.00 C ATOM 1657 O LYS B 125 -16.394 -6.227 -11.243 1.00 0.00 O ATOM 1658 CB LYS B 125 -13.958 -4.338 -12.856 1.00 0.00 C ATOM 1659 CG LYS B 125 -14.124 -3.246 -11.811 1.00 0.00 C ATOM 1660 CD LYS B 125 -13.017 -2.209 -11.906 1.00 0.00 C ATOM 1661 CE LYS B 125 -12.794 -1.510 -10.575 1.00 0.00 C ATOM 1662 NZ LYS B 125 -11.490 -0.792 -10.537 1.00 0.00 N ATOM 0 H LYS B 125 -16.955 -4.282 -12.306 1.00 0.00 H new ATOM 0 HA LYS B 125 -15.129 -5.747 -13.987 1.00 0.00 H new ATOM 0 HB2 LYS B 125 -13.134 -4.989 -12.563 1.00 0.00 H new ATOM 0 HB3 LYS B 125 -13.681 -3.882 -13.806 1.00 0.00 H new ATOM 0 HG2 LYS B 125 -15.091 -2.760 -11.942 1.00 0.00 H new ATOM 0 HG3 LYS B 125 -14.123 -3.691 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS B 125 -12.092 -2.690 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS B 125 -13.272 -1.472 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS B 125 -13.604 -0.802 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS B 125 -12.828 -2.243 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 125 -11.376 -0.329 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 125 -10.716 -1.471 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 125 -11.467 -0.074 -11.289 1.00 0.00 H new ATOM 1676 N THR B 126 -14.317 -6.963 -11.667 1.00 0.00 N ATOM 1677 CA THR B 126 -14.329 -7.942 -10.587 1.00 0.00 C ATOM 1678 C THR B 126 -13.652 -7.364 -9.349 1.00 0.00 C ATOM 1679 O THR B 126 -12.734 -6.552 -9.464 1.00 0.00 O ATOM 1680 CB THR B 126 -13.621 -9.227 -11.021 1.00 0.00 C ATOM 1681 OG1 THR B 126 -13.535 -10.141 -9.941 1.00 0.00 O ATOM 1682 CG2 THR B 126 -12.218 -8.993 -11.536 1.00 0.00 C ATOM 0 H THR B 126 -13.451 -6.939 -12.206 1.00 0.00 H new ATOM 0 HA THR B 126 -15.365 -8.181 -10.346 1.00 0.00 H new ATOM 0 HB THR B 126 -14.226 -9.630 -11.833 1.00 0.00 H new ATOM 0 HG1 THR B 126 -13.081 -10.957 -10.238 1.00 0.00 H new ATOM 0 HG21 THR B 126 -11.774 -9.945 -11.826 1.00 0.00 H new ATOM 0 HG22 THR B 126 -12.254 -8.330 -12.401 1.00 0.00 H new ATOM 0 HG23 THR B 126 -11.614 -8.535 -10.752 1.00 0.00 H new ATOM 1690 N ILE B 127 -14.109 -7.770 -8.166 1.00 0.00 N ATOM 1691 CA ILE B 127 -13.530 -7.265 -6.922 1.00 0.00 C ATOM 1692 C ILE B 127 -12.007 -7.351 -6.956 1.00 0.00 C ATOM 1693 O ILE B 127 -11.321 -6.483 -6.424 1.00 0.00 O ATOM 1694 CB ILE B 127 -14.075 -8.005 -5.674 1.00 0.00 C ATOM 1695 CG1 ILE B 127 -13.201 -7.709 -4.450 1.00 0.00 C ATOM 1696 CG2 ILE B 127 -14.172 -9.499 -5.923 1.00 0.00 C ATOM 1697 CD1 ILE B 127 -13.583 -8.488 -3.212 1.00 0.00 C ATOM 0 H ILE B 127 -14.869 -8.439 -8.042 1.00 0.00 H new ATOM 0 HA ILE B 127 -13.828 -6.220 -6.841 1.00 0.00 H new ATOM 0 HB ILE B 127 -15.081 -7.637 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE B 127 -12.162 -7.929 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE B 127 -13.257 -6.644 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE B 127 -14.557 -9.992 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE B 127 -14.845 -9.685 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE B 127 -13.183 -9.894 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE B 127 -12.916 -8.220 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE B 127 -14.610 -8.251 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE B 127 -13.499 -9.556 -3.414 1.00 0.00 H new ATOM 1709 N LYS B 128 -11.476 -8.384 -7.600 1.00 0.00 N ATOM 1710 CA LYS B 128 -10.029 -8.539 -7.699 1.00 0.00 C ATOM 1711 C LYS B 128 -9.386 -7.252 -8.218 1.00 0.00 C ATOM 1712 O LYS B 128 -8.210 -6.991 -7.975 1.00 0.00 O ATOM 1713 CB LYS B 128 -9.676 -9.720 -8.605 1.00 0.00 C ATOM 1714 CG LYS B 128 -9.618 -11.045 -7.868 1.00 0.00 C ATOM 1715 CD LYS B 128 -8.512 -11.050 -6.827 1.00 0.00 C ATOM 1716 CE LYS B 128 -7.150 -11.266 -7.462 1.00 0.00 C ATOM 1717 NZ LYS B 128 -6.651 -10.044 -8.152 1.00 0.00 N ATOM 0 H LYS B 128 -12.017 -9.118 -8.056 1.00 0.00 H new ATOM 0 HA LYS B 128 -9.636 -8.742 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS B 128 -10.414 -9.789 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS B 128 -8.711 -9.532 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS B 128 -10.576 -11.237 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS B 128 -9.453 -11.853 -8.581 1.00 0.00 H new ATOM 0 HD2 LYS B 128 -8.516 -10.104 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS B 128 -8.703 -11.836 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS B 128 -6.436 -11.565 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS B 128 -7.210 -12.086 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 128 -5.628 -9.948 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 128 -6.835 -10.122 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 128 -7.141 -9.208 -7.775 1.00 0.00 H new ATOM 1731 N GLN B 129 -10.182 -6.444 -8.916 1.00 0.00 N ATOM 1732 CA GLN B 129 -9.718 -5.170 -9.451 1.00 0.00 C ATOM 1733 C GLN B 129 -10.198 -4.033 -8.564 1.00 0.00 C ATOM 1734 O GLN B 129 -9.427 -3.160 -8.163 1.00 0.00 O ATOM 1735 CB GLN B 129 -10.264 -4.960 -10.864 1.00 0.00 C ATOM 1736 CG GLN B 129 -9.220 -4.477 -11.858 1.00 0.00 C ATOM 1737 CD GLN B 129 -7.987 -5.359 -11.886 1.00 0.00 C ATOM 1738 OE1 GLN B 129 -7.955 -6.378 -12.574 1.00 0.00 O ATOM 1739 NE2 GLN B 129 -6.964 -4.969 -11.134 1.00 0.00 N ATOM 0 H GLN B 129 -11.158 -6.653 -9.124 1.00 0.00 H new ATOM 0 HA GLN B 129 -8.628 -5.183 -9.480 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -10.688 -5.898 -11.223 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -11.078 -4.236 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -9.661 -4.444 -12.854 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -8.927 -3.458 -11.605 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -7.035 -4.116 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -6.107 -5.522 -11.112 1.00 0.00 H new ATOM 1748 N TYR B 130 -11.493 -4.056 -8.279 1.00 0.00 N ATOM 1749 CA TYR B 130 -12.129 -3.042 -7.455 1.00 0.00 C ATOM 1750 C TYR B 130 -11.554 -3.022 -6.040 1.00 0.00 C ATOM 1751 O TYR B 130 -11.171 -1.968 -5.531 1.00 0.00 O ATOM 1752 CB TYR B 130 -13.632 -3.307 -7.407 1.00 0.00 C ATOM 1753 CG TYR B 130 -14.376 -2.365 -6.502 1.00 0.00 C ATOM 1754 CD1 TYR B 130 -14.468 -1.020 -6.811 1.00 0.00 C ATOM 1755 CD2 TYR B 130 -14.977 -2.823 -5.340 1.00 0.00 C ATOM 1756 CE1 TYR B 130 -15.143 -0.145 -5.983 1.00 0.00 C ATOM 1757 CE2 TYR B 130 -15.656 -1.958 -4.504 1.00 0.00 C ATOM 1758 CZ TYR B 130 -15.736 -0.618 -4.829 1.00 0.00 C ATOM 1759 OH TYR B 130 -16.409 0.249 -4.000 1.00 0.00 O ATOM 0 H TYR B 130 -12.130 -4.779 -8.613 1.00 0.00 H new ATOM 0 HA TYR B 130 -11.935 -2.066 -7.899 1.00 0.00 H new ATOM 0 HB2 TYR B 130 -14.040 -3.229 -8.415 1.00 0.00 H new ATOM 0 HB3 TYR B 130 -13.802 -4.330 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR B 130 -14.005 -0.649 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR B 130 -14.914 -3.870 -5.085 1.00 0.00 H new ATOM 0 HE1 TYR B 130 -15.207 0.903 -6.236 1.00 0.00 H new ATOM 0 HE2 TYR B 130 -16.121 -2.327 -3.602 1.00 0.00 H new ATOM 0 HH TYR B 130 -16.481 1.126 -4.432 1.00 0.00 H new ATOM 1769 N ALA B 131 -11.489 -4.190 -5.414 1.00 0.00 N ATOM 1770 CA ALA B 131 -10.951 -4.304 -4.065 1.00 0.00 C ATOM 1771 C ALA B 131 -9.480 -3.951 -4.054 1.00 0.00 C ATOM 1772 O ALA B 131 -8.956 -3.432 -3.072 1.00 0.00 O ATOM 1773 CB ALA B 131 -11.149 -5.711 -3.524 1.00 0.00 C ATOM 0 H ALA B 131 -11.802 -5.072 -5.819 1.00 0.00 H new ATOM 0 HA ALA B 131 -11.489 -3.605 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA B 131 -10.740 -5.774 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA B 131 -12.213 -5.945 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA B 131 -10.636 -6.424 -4.169 1.00 0.00 H new ATOM 1779 N LEU B 132 -8.816 -4.251 -5.154 1.00 0.00 N ATOM 1780 CA LEU B 132 -7.401 -3.985 -5.275 1.00 0.00 C ATOM 1781 C LEU B 132 -7.097 -2.498 -5.130 1.00 0.00 C ATOM 1782 O LEU B 132 -6.239 -2.107 -4.345 1.00 0.00 O ATOM 1783 CB LEU B 132 -6.902 -4.491 -6.624 1.00 0.00 C ATOM 1784 CG LEU B 132 -5.381 -4.469 -6.815 1.00 0.00 C ATOM 1785 CD1 LEU B 132 -4.887 -3.048 -7.039 1.00 0.00 C ATOM 1786 CD2 LEU B 132 -4.684 -5.095 -5.617 1.00 0.00 C ATOM 0 H LEU B 132 -9.238 -4.680 -5.977 1.00 0.00 H new ATOM 0 HA LEU B 132 -6.885 -4.509 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -7.253 -5.514 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -7.358 -3.889 -7.410 1.00 0.00 H new ATOM 0 HG LEU B 132 -5.139 -5.057 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -3.805 -3.056 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -5.359 -2.635 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -5.142 -2.434 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -3.605 -5.071 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -4.935 -4.535 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -5.011 -6.129 -5.505 1.00 0.00 H new ATOM 1798 N GLU B 133 -7.800 -1.677 -5.902 1.00 0.00 N ATOM 1799 CA GLU B 133 -7.596 -0.232 -5.873 1.00 0.00 C ATOM 1800 C GLU B 133 -8.150 0.403 -4.601 1.00 0.00 C ATOM 1801 O GLU B 133 -7.645 1.424 -4.134 1.00 0.00 O ATOM 1802 CB GLU B 133 -8.237 0.416 -7.101 1.00 0.00 C ATOM 1803 CG GLU B 133 -7.897 -0.286 -8.405 1.00 0.00 C ATOM 1804 CD GLU B 133 -7.625 0.685 -9.538 1.00 0.00 C ATOM 1805 OE1 GLU B 133 -8.584 1.050 -10.249 1.00 0.00 O ATOM 1806 OE2 GLU B 133 -6.453 1.080 -9.712 1.00 0.00 O ATOM 0 H GLU B 133 -8.518 -1.987 -6.557 1.00 0.00 H new ATOM 0 HA GLU B 133 -6.520 -0.057 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU B 133 -9.320 0.424 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU B 133 -7.915 1.456 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU B 133 -7.022 -0.918 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU B 133 -8.720 -0.943 -8.685 1.00 0.00 H new ATOM 1813 N ARG B 134 -9.201 -0.192 -4.058 1.00 0.00 N ATOM 1814 CA ARG B 134 -9.838 0.328 -2.851 1.00 0.00 C ATOM 1815 C ARG B 134 -8.863 0.391 -1.679 1.00 0.00 C ATOM 1816 O ARG B 134 -8.988 1.248 -0.804 1.00 0.00 O ATOM 1817 CB ARG B 134 -11.049 -0.526 -2.480 1.00 0.00 C ATOM 1818 CG ARG B 134 -12.227 0.287 -1.967 1.00 0.00 C ATOM 1819 CD ARG B 134 -13.081 0.812 -3.109 1.00 0.00 C ATOM 1820 NE ARG B 134 -13.731 2.078 -2.773 1.00 0.00 N ATOM 1821 CZ ARG B 134 -13.203 3.277 -3.017 1.00 0.00 C ATOM 1822 NH1 ARG B 134 -12.008 3.385 -3.583 1.00 0.00 N ATOM 1823 NH2 ARG B 134 -13.874 4.373 -2.689 1.00 0.00 N ATOM 0 H ARG B 134 -9.634 -1.037 -4.432 1.00 0.00 H new ATOM 0 HA ARG B 134 -10.167 1.345 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -11.364 -1.096 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -10.756 -1.248 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -12.838 -0.331 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -11.861 1.123 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -12.459 0.948 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -13.840 0.072 -3.364 1.00 0.00 H new ATOM 0 HE ARG B 134 -14.646 2.041 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -11.485 2.546 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -11.612 4.307 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -14.792 4.297 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -13.472 5.292 -2.875 1.00 0.00 H new ATOM 1837 N LEU B 135 -7.898 -0.517 -1.668 1.00 0.00 N ATOM 1838 CA LEU B 135 -6.900 -0.569 -0.616 1.00 0.00 C ATOM 1839 C LEU B 135 -5.850 0.515 -0.814 1.00 0.00 C ATOM 1840 O LEU B 135 -5.138 0.881 0.121 1.00 0.00 O ATOM 1841 CB LEU B 135 -6.241 -1.944 -0.608 1.00 0.00 C ATOM 1842 CG LEU B 135 -7.213 -3.106 -0.435 1.00 0.00 C ATOM 1843 CD1 LEU B 135 -6.485 -4.437 -0.506 1.00 0.00 C ATOM 1844 CD2 LEU B 135 -7.962 -2.968 0.877 1.00 0.00 C ATOM 0 H LEU B 135 -7.787 -1.234 -2.385 1.00 0.00 H new ATOM 0 HA LEU B 135 -7.390 -0.396 0.342 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -5.696 -2.078 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.507 -1.977 0.197 1.00 0.00 H new ATOM 0 HG LEU B 135 -7.935 -3.079 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -7.200 -5.250 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -5.995 -4.532 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -5.737 -4.485 0.286 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.654 -3.803 0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.251 -2.970 1.704 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.520 -2.032 0.881 1.00 0.00 H new