USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 707 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.439 (180deg=-0.301!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.698 X(o=-0.7,f=-0.25) USER MOD Single : A 5 HIS : no HE2:sc= -0.0441 K(o=-0.044,f=-1.1) USER MOD Single : A 6 HIS : no HE2:sc= 0.765 K(o=0.76,f=-2.4!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS :FLIP no HE2:sc= -0.0589 F(o=-0.91,f=-0.059) USER MOD Single : A 9 MET CE :methyl 162:sc= -0.137 (180deg=-0.635) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 15 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.45) USER MOD Single : A 16 THR OG1 : rot -75:sc= 0.53 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 33 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.85) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -158:sc= 0 (180deg=-0.477) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.184) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 62 CYS SG : rot 90:sc= -2.9 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.999 X(o=-1,f=-0.54) USER MOD Single : A 71 THR OG1 : rot 158:sc= 0.779 USER MOD Single : A 73 MET CE :methyl -161:sc= -0.146 (180deg=-0.676) USER MOD Single : A 77 SER OG : rot 102:sc= -0.0516 USER MOD Single : A 81 HIS : no HE2:sc= -0.884 K(o=-0.88,f=-2.5!) USER MOD Single : A 83 ASN : amide:sc= -0.422 K(o=-0.42,f=-4!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.49 F(o=-1.8!,f=-0.49) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.694 -7.655 -27.762 1.00 73.22 N ATOM 2 CA MET A 1 -12.204 -8.572 -26.718 1.00 15.13 C ATOM 3 C MET A 1 -11.341 -8.463 -25.468 1.00 45.32 C ATOM 4 O MET A 1 -10.391 -7.675 -25.431 1.00 32.32 O ATOM 5 CB MET A 1 -12.207 -10.024 -27.224 1.00 22.50 C ATOM 6 CG MET A 1 -13.001 -10.229 -28.505 1.00 70.23 C ATOM 7 SD MET A 1 -12.310 -9.315 -29.901 1.00 24.24 S ATOM 8 CE MET A 1 -13.450 -9.762 -31.212 1.00 64.32 C ATOM 0 H1 MET A 1 -11.730 -8.128 -28.687 1.00 73.22 H new ATOM 0 H2 MET A 1 -12.282 -6.798 -27.788 1.00 73.22 H new ATOM 0 H3 MET A 1 -10.711 -7.394 -27.545 1.00 73.22 H new ATOM 0 HA MET A 1 -13.228 -8.287 -26.477 1.00 15.13 H new ATOM 0 HB2 MET A 1 -11.178 -10.342 -27.391 1.00 22.50 H new ATOM 0 HB3 MET A 1 -12.618 -10.668 -26.447 1.00 22.50 H new ATOM 0 HG2 MET A 1 -13.026 -11.291 -28.747 1.00 70.23 H new ATOM 0 HG3 MET A 1 -14.032 -9.915 -28.344 1.00 70.23 H new ATOM 0 HE1 MET A 1 -13.150 -9.271 -32.138 1.00 64.32 H new ATOM 0 HE2 MET A 1 -13.436 -10.843 -31.353 1.00 64.32 H new ATOM 0 HE3 MET A 1 -14.457 -9.444 -30.943 1.00 64.32 H new ATOM 20 N ALA A 2 -11.670 -9.247 -24.444 1.00 54.21 N ATOM 21 CA ALA A 2 -10.887 -9.271 -23.216 1.00 14.23 C ATOM 22 C ALA A 2 -9.553 -9.980 -23.448 1.00 44.12 C ATOM 23 O ALA A 2 -9.453 -11.202 -23.313 1.00 53.24 O ATOM 24 CB ALA A 2 -11.673 -9.947 -22.096 1.00 73.44 C ATOM 0 H ALA A 2 -12.475 -9.874 -24.443 1.00 54.21 H new ATOM 0 HA ALA A 2 -10.680 -8.244 -22.915 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -11.074 -9.957 -21.186 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -12.597 -9.397 -21.917 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -11.911 -10.971 -22.385 1.00 73.44 H new ATOM 30 N HIS A 3 -8.543 -9.204 -23.829 1.00 41.44 N ATOM 31 CA HIS A 3 -7.209 -9.740 -24.100 1.00 1.43 C ATOM 32 C HIS A 3 -6.634 -10.408 -22.848 1.00 4.31 C ATOM 33 O HIS A 3 -6.085 -11.507 -22.913 1.00 2.31 O ATOM 34 CB HIS A 3 -6.280 -8.618 -24.585 1.00 5.12 C ATOM 35 CG HIS A 3 -4.912 -9.091 -24.974 1.00 63.14 C ATOM 36 ND1 HIS A 3 -3.789 -8.850 -24.215 1.00 24.54 N ATOM 37 CD2 HIS A 3 -4.491 -9.789 -26.053 1.00 72.24 C ATOM 38 CE1 HIS A 3 -2.738 -9.380 -24.808 1.00 45.21 C ATOM 39 NE2 HIS A 3 -3.136 -9.957 -25.926 1.00 10.03 N ATOM 0 H HIS A 3 -8.622 -8.195 -23.958 1.00 41.44 H new ATOM 0 HA HIS A 3 -7.287 -10.494 -24.884 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -6.740 -8.123 -25.440 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -6.186 -7.871 -23.797 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -5.107 -10.148 -26.864 1.00 72.24 H new ATOM 0 HE1 HIS A 3 -1.723 -9.348 -24.441 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -2.534 -10.448 -26.587 1.00 10.03 H new ATOM 48 N HIS A 4 -6.788 -9.742 -21.708 1.00 40.34 N ATOM 49 CA HIS A 4 -6.323 -10.274 -20.428 1.00 51.01 C ATOM 50 C HIS A 4 -7.464 -11.022 -19.734 1.00 53.23 C ATOM 51 O HIS A 4 -7.685 -10.880 -18.528 1.00 0.34 O ATOM 52 CB HIS A 4 -5.791 -9.131 -19.540 1.00 50.20 C ATOM 53 CG HIS A 4 -5.054 -9.598 -18.314 1.00 33.32 C ATOM 54 ND1 HIS A 4 -3.706 -9.887 -18.312 1.00 30.31 N ATOM 55 CD2 HIS A 4 -5.483 -9.823 -17.046 1.00 2.31 C ATOM 56 CE1 HIS A 4 -3.340 -10.273 -17.104 1.00 13.25 C ATOM 57 NE2 HIS A 4 -4.398 -10.241 -16.319 1.00 22.43 N ATOM 0 H HIS A 4 -7.234 -8.827 -21.643 1.00 40.34 H new ATOM 0 HA HIS A 4 -5.506 -10.975 -20.603 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -5.126 -8.504 -20.134 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -6.628 -8.505 -19.231 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -6.491 -9.696 -16.678 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -2.343 -10.565 -16.809 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -4.408 -10.488 -15.329 1.00 22.43 H new ATOM 66 N HIS A 5 -8.202 -11.819 -20.508 1.00 52.40 N ATOM 67 CA HIS A 5 -9.294 -12.618 -19.957 1.00 51.23 C ATOM 68 C HIS A 5 -8.781 -13.563 -18.872 1.00 25.42 C ATOM 69 O HIS A 5 -7.668 -14.088 -18.960 1.00 52.12 O ATOM 70 CB HIS A 5 -10.034 -13.401 -21.057 1.00 11.32 C ATOM 71 CG HIS A 5 -9.152 -14.214 -21.960 1.00 24.41 C ATOM 72 ND1 HIS A 5 -9.096 -14.014 -23.321 1.00 1.43 N ATOM 73 CD2 HIS A 5 -8.311 -15.244 -21.700 1.00 64.02 C ATOM 74 CE1 HIS A 5 -8.265 -14.885 -23.860 1.00 33.02 C ATOM 75 NE2 HIS A 5 -7.774 -15.642 -22.898 1.00 22.00 N ATOM 0 H HIS A 5 -8.064 -11.927 -21.513 1.00 52.40 H new ATOM 0 HA HIS A 5 -10.008 -11.930 -19.505 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -10.757 -14.066 -20.585 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -10.600 -12.696 -21.666 1.00 11.32 H new ATOM 0 HD1 HIS A 5 -9.617 -13.302 -23.833 1.00 1.43 H new ATOM 0 HD2 HIS A 5 -8.102 -15.672 -20.731 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -8.027 -14.965 -24.910 1.00 33.02 H new ATOM 84 N HIS A 6 -9.597 -13.760 -17.850 1.00 34.21 N ATOM 85 CA HIS A 6 -9.232 -14.575 -16.696 1.00 74.21 C ATOM 86 C HIS A 6 -10.493 -15.145 -16.057 1.00 71.31 C ATOM 87 O HIS A 6 -11.593 -14.959 -16.583 1.00 5.52 O ATOM 88 CB HIS A 6 -8.427 -13.736 -15.684 1.00 64.32 C ATOM 89 CG HIS A 6 -9.106 -12.460 -15.266 1.00 13.35 C ATOM 90 ND1 HIS A 6 -8.913 -11.258 -15.920 1.00 0.10 N ATOM 91 CD2 HIS A 6 -9.969 -12.199 -14.254 1.00 40.24 C ATOM 92 CE1 HIS A 6 -9.627 -10.318 -15.327 1.00 55.12 C ATOM 93 NE2 HIS A 6 -10.276 -10.862 -14.317 1.00 52.24 N ATOM 0 H HIS A 6 -10.534 -13.360 -17.794 1.00 34.21 H new ATOM 0 HA HIS A 6 -8.601 -15.403 -17.020 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -8.236 -14.341 -14.797 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -7.458 -13.493 -16.119 1.00 64.32 H new ATOM 0 HD1 HIS A 6 -8.313 -11.118 -16.733 1.00 0.10 H new ATOM 0 HD2 HIS A 6 -10.345 -12.910 -13.533 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -9.671 -9.279 -15.620 1.00 55.12 H new ATOM 102 N HIS A 7 -10.341 -15.843 -14.935 1.00 31.13 N ATOM 103 CA HIS A 7 -11.483 -16.442 -14.245 1.00 13.43 C ATOM 104 C HIS A 7 -11.401 -16.191 -12.739 1.00 13.23 C ATOM 105 O HIS A 7 -12.036 -15.274 -12.220 1.00 24.42 O ATOM 106 CB HIS A 7 -11.566 -17.954 -14.522 1.00 45.10 C ATOM 107 CG HIS A 7 -11.796 -18.299 -15.963 1.00 22.34 C ATOM 108 ND1 HIS A 7 -10.840 -18.892 -16.757 1.00 12.53 N ATOM 109 CD2 HIS A 7 -12.886 -18.140 -16.747 1.00 21.41 C ATOM 110 CE1 HIS A 7 -11.330 -19.079 -17.966 1.00 22.12 C ATOM 111 NE2 HIS A 7 -12.572 -18.635 -17.988 1.00 52.52 N ATOM 0 H HIS A 7 -9.441 -16.008 -14.484 1.00 31.13 H new ATOM 0 HA HIS A 7 -12.386 -15.969 -14.631 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -10.641 -18.425 -14.190 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -12.373 -18.379 -13.924 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -13.829 -17.704 -16.451 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -10.803 -19.521 -18.799 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -13.196 -18.656 -18.794 1.00 52.52 H new ATOM 120 N HIS A 8 -10.596 -16.996 -12.050 1.00 52.21 N ATOM 121 CA HIS A 8 -10.488 -16.932 -10.596 1.00 10.20 C ATOM 122 C HIS A 8 -9.433 -17.917 -10.092 1.00 44.12 C ATOM 123 O HIS A 8 -9.503 -19.111 -10.380 1.00 2.14 O ATOM 124 CB HIS A 8 -11.853 -17.218 -9.934 1.00 2.10 C ATOM 125 CG HIS A 8 -12.567 -18.431 -10.471 1.00 65.54 C ATOM 126 ND1 HIS A 8 -12.259 -19.750 -10.415 1.00 13.43 N flip ATOM 127 CD2 HIS A 8 -13.756 -18.355 -11.164 1.00 64.25 C flip ATOM 128 CE1 HIS A 8 -13.251 -20.433 -11.068 1.00 71.44 C flip ATOM 129 NE2 HIS A 8 -14.143 -19.568 -11.507 1.00 64.15 N flip ATOM 0 H HIS A 8 -10.004 -17.706 -12.481 1.00 52.21 H new ATOM 0 HA HIS A 8 -10.178 -15.924 -10.321 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -11.703 -17.346 -8.862 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -12.495 -16.347 -10.064 1.00 2.10 H new ATOM 0 HD1 HIS A 8 -11.438 -20.159 -9.968 1.00 13.43 H new ATOM 0 HD2 HIS A 8 -14.288 -17.443 -11.391 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -13.295 -21.504 -11.201 1.00 71.44 H new ATOM 138 N MET A 9 -8.447 -17.414 -9.362 1.00 12.25 N ATOM 139 CA MET A 9 -7.415 -18.270 -8.786 1.00 2.23 C ATOM 140 C MET A 9 -7.934 -18.941 -7.515 1.00 52.43 C ATOM 141 O MET A 9 -7.903 -20.166 -7.389 1.00 54.21 O ATOM 142 CB MET A 9 -6.147 -17.460 -8.480 1.00 51.52 C ATOM 143 CG MET A 9 -5.467 -16.886 -9.719 1.00 71.54 C ATOM 144 SD MET A 9 -3.991 -15.928 -9.320 1.00 31.53 S ATOM 145 CE MET A 9 -2.968 -17.175 -8.533 1.00 44.51 C ATOM 0 H MET A 9 -8.339 -16.421 -9.154 1.00 12.25 H new ATOM 0 HA MET A 9 -7.162 -19.042 -9.513 1.00 2.23 H new ATOM 0 HB2 MET A 9 -6.404 -16.642 -7.807 1.00 51.52 H new ATOM 0 HB3 MET A 9 -5.439 -18.098 -7.951 1.00 51.52 H new ATOM 0 HG2 MET A 9 -5.196 -17.701 -10.391 1.00 71.54 H new ATOM 0 HG3 MET A 9 -6.173 -16.252 -10.255 1.00 71.54 H new ATOM 0 HE1 MET A 9 -1.931 -16.840 -8.520 1.00 44.51 H new ATOM 0 HE2 MET A 9 -3.311 -17.335 -7.511 1.00 44.51 H new ATOM 0 HE3 MET A 9 -3.040 -18.109 -9.090 1.00 44.51 H new ATOM 155 N GLY A 10 -8.429 -18.126 -6.587 1.00 33.52 N ATOM 156 CA GLY A 10 -8.925 -18.638 -5.322 1.00 73.32 C ATOM 157 C GLY A 10 -10.323 -19.216 -5.437 1.00 21.22 C ATOM 158 O GLY A 10 -11.278 -18.494 -5.736 1.00 31.32 O ATOM 0 H GLY A 10 -8.495 -17.113 -6.691 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -8.246 -19.408 -4.954 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -8.927 -17.835 -4.584 1.00 73.32 H new ATOM 162 N THR A 11 -10.439 -20.522 -5.230 1.00 23.20 N ATOM 163 CA THR A 11 -11.729 -21.204 -5.207 1.00 64.11 C ATOM 164 C THR A 11 -11.978 -21.781 -3.815 1.00 2.14 C ATOM 165 O THR A 11 -12.873 -21.343 -3.092 1.00 24.42 O ATOM 166 CB THR A 11 -11.769 -22.343 -6.250 1.00 61.21 C ATOM 167 OG1 THR A 11 -10.646 -23.215 -6.046 1.00 21.55 O ATOM 168 CG2 THR A 11 -11.739 -21.790 -7.672 1.00 2.40 C ATOM 0 H THR A 11 -9.642 -21.139 -5.073 1.00 23.20 H new ATOM 0 HA THR A 11 -12.506 -20.480 -5.453 1.00 64.11 H new ATOM 0 HB THR A 11 -12.699 -22.897 -6.121 1.00 61.21 H new ATOM 0 HG1 THR A 11 -10.670 -23.939 -6.706 1.00 21.55 H new ATOM 0 HG21 THR A 11 -11.768 -22.615 -8.384 1.00 2.40 H new ATOM 0 HG22 THR A 11 -12.603 -21.144 -7.829 1.00 2.40 H new ATOM 0 HG23 THR A 11 -10.825 -21.215 -7.820 1.00 2.40 H new ATOM 176 N LEU A 12 -11.158 -22.762 -3.453 1.00 10.11 N ATOM 177 CA LEU A 12 -11.196 -23.383 -2.136 1.00 62.34 C ATOM 178 C LEU A 12 -9.876 -23.118 -1.415 1.00 50.51 C ATOM 179 O LEU A 12 -9.146 -22.191 -1.768 1.00 4.12 O ATOM 180 CB LEU A 12 -11.434 -24.899 -2.272 1.00 73.43 C ATOM 181 CG LEU A 12 -12.766 -25.305 -2.926 1.00 43.20 C ATOM 182 CD1 LEU A 12 -12.853 -26.823 -3.073 1.00 34.05 C ATOM 183 CD2 LEU A 12 -13.947 -24.774 -2.116 1.00 2.42 C ATOM 0 H LEU A 12 -10.444 -23.150 -4.070 1.00 10.11 H new ATOM 0 HA LEU A 12 -12.015 -22.956 -1.557 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -10.618 -25.326 -2.855 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -11.385 -25.347 -1.280 1.00 73.43 H new ATOM 0 HG LEU A 12 -12.807 -24.862 -3.921 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -13.802 -27.090 -3.537 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -12.032 -27.176 -3.697 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -12.787 -27.288 -2.089 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -14.880 -25.072 -2.595 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -13.910 -25.184 -1.107 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -13.895 -23.686 -2.067 1.00 2.42 H new ATOM 195 N GLU A 13 -9.582 -23.914 -0.396 1.00 11.24 N ATOM 196 CA GLU A 13 -8.299 -23.840 0.291 1.00 2.42 C ATOM 197 C GLU A 13 -7.412 -24.994 -0.160 1.00 25.54 C ATOM 198 O GLU A 13 -7.717 -25.668 -1.147 1.00 43.43 O ATOM 199 CB GLU A 13 -8.502 -23.889 1.811 1.00 52.23 C ATOM 200 CG GLU A 13 -9.304 -25.096 2.299 1.00 2.02 C ATOM 201 CD GLU A 13 -9.200 -25.284 3.797 1.00 23.10 C ATOM 202 OE1 GLU A 13 -9.849 -24.509 4.527 1.00 31.04 O ATOM 203 OE2 GLU A 13 -8.448 -26.183 4.233 1.00 20.54 O ATOM 0 H GLU A 13 -10.217 -24.621 -0.025 1.00 11.24 H new ATOM 0 HA GLU A 13 -7.815 -22.896 0.040 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -7.526 -23.895 2.296 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -9.010 -22.978 2.128 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -10.351 -24.970 2.022 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -8.947 -25.995 1.796 1.00 2.02 H new ATOM 210 N ALA A 14 -6.320 -25.227 0.569 1.00 34.40 N ATOM 211 CA ALA A 14 -5.455 -26.378 0.314 1.00 21.23 C ATOM 212 C ALA A 14 -6.214 -27.680 0.584 1.00 55.24 C ATOM 213 O ALA A 14 -5.767 -28.763 0.203 1.00 61.00 O ATOM 214 CB ALA A 14 -4.201 -26.297 1.179 1.00 34.11 C ATOM 0 H ALA A 14 -6.014 -24.634 1.340 1.00 34.40 H new ATOM 0 HA ALA A 14 -5.152 -26.366 -0.733 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -3.565 -27.160 0.980 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -3.656 -25.383 0.945 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -4.485 -26.291 2.231 1.00 34.11 H new ATOM 220 N GLN A 15 -7.364 -27.538 1.247 1.00 62.31 N ATOM 221 CA GLN A 15 -8.243 -28.650 1.586 1.00 61.21 C ATOM 222 C GLN A 15 -7.564 -29.547 2.608 1.00 41.33 C ATOM 223 O GLN A 15 -7.026 -30.606 2.283 1.00 55.20 O ATOM 224 CB GLN A 15 -8.684 -29.424 0.332 1.00 32.53 C ATOM 225 CG GLN A 15 -9.406 -28.543 -0.688 1.00 2.10 C ATOM 226 CD GLN A 15 -9.888 -29.302 -1.911 1.00 32.43 C ATOM 227 OE1 GLN A 15 -10.230 -30.483 -1.836 1.00 73.03 O ATOM 228 NE2 GLN A 15 -9.911 -28.629 -3.052 1.00 54.22 N ATOM 0 H GLN A 15 -7.712 -26.634 1.566 1.00 62.31 H new ATOM 0 HA GLN A 15 -9.155 -28.255 2.035 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -7.809 -29.873 -0.138 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -9.341 -30.241 0.628 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -10.260 -28.068 -0.205 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -8.735 -27.745 -1.007 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -9.620 -27.652 -3.074 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -10.220 -29.088 -3.909 1.00 54.22 H new ATOM 237 N THR A 16 -7.575 -29.081 3.850 1.00 54.24 N ATOM 238 CA THR A 16 -6.856 -29.731 4.934 1.00 21.43 C ATOM 239 C THR A 16 -7.780 -30.624 5.757 1.00 75.24 C ATOM 240 O THR A 16 -7.315 -31.385 6.607 1.00 55.04 O ATOM 241 CB THR A 16 -6.208 -28.677 5.861 1.00 2.14 C ATOM 242 OG1 THR A 16 -7.216 -27.797 6.382 1.00 30.03 O ATOM 243 CG2 THR A 16 -5.157 -27.858 5.117 1.00 42.53 C ATOM 0 H THR A 16 -8.083 -28.243 4.133 1.00 54.24 H new ATOM 0 HA THR A 16 -6.080 -30.351 4.485 1.00 21.43 H new ATOM 0 HB THR A 16 -5.719 -29.206 6.679 1.00 2.14 H new ATOM 0 HG1 THR A 16 -7.503 -27.176 5.680 1.00 30.03 H new ATOM 0 HG21 THR A 16 -4.719 -27.125 5.795 1.00 42.53 H new ATOM 0 HG22 THR A 16 -4.375 -28.521 4.745 1.00 42.53 H new ATOM 0 HG23 THR A 16 -5.624 -27.342 4.278 1.00 42.53 H new ATOM 251 N GLN A 17 -9.083 -30.544 5.467 1.00 13.34 N ATOM 252 CA GLN A 17 -10.128 -31.198 6.266 1.00 34.33 C ATOM 253 C GLN A 17 -9.834 -31.049 7.759 1.00 53.31 C ATOM 254 O GLN A 17 -9.874 -32.014 8.525 1.00 40.31 O ATOM 255 CB GLN A 17 -10.363 -32.676 5.866 1.00 1.43 C ATOM 256 CG GLN A 17 -9.186 -33.635 6.074 1.00 44.23 C ATOM 257 CD GLN A 17 -8.551 -34.088 4.768 1.00 62.21 C ATOM 258 OE1 GLN A 17 -7.504 -33.404 4.344 1.00 74.11 O flip ATOM 259 NE2 GLN A 17 -8.984 -35.067 4.161 1.00 32.34 N flip ATOM 0 H GLN A 17 -9.445 -30.022 4.669 1.00 13.34 H new ATOM 0 HA GLN A 17 -11.065 -30.685 6.049 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -11.214 -33.052 6.434 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -10.644 -32.704 4.813 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -8.430 -33.146 6.689 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -9.530 -34.509 6.627 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -9.795 -35.571 4.519 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -8.532 -35.374 3.300 1.00 32.34 H new ATOM 268 N GLY A 18 -9.542 -29.810 8.156 1.00 74.42 N ATOM 269 CA GLY A 18 -9.226 -29.509 9.538 1.00 12.00 C ATOM 270 C GLY A 18 -10.320 -29.943 10.502 1.00 35.14 C ATOM 271 O GLY A 18 -11.501 -29.946 10.144 1.00 43.04 O ATOM 0 H GLY A 18 -9.520 -29.003 7.533 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -8.293 -30.003 9.808 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -9.060 -28.437 9.643 1.00 12.00 H new ATOM 275 N PRO A 19 -9.952 -30.314 11.741 1.00 2.43 N ATOM 276 CA PRO A 19 -10.911 -30.793 12.743 1.00 73.41 C ATOM 277 C PRO A 19 -11.698 -29.655 13.391 1.00 73.01 C ATOM 278 O PRO A 19 -12.808 -29.861 13.887 1.00 12.24 O ATOM 279 CB PRO A 19 -10.007 -31.479 13.772 1.00 61.45 C ATOM 280 CG PRO A 19 -8.726 -30.720 13.703 1.00 2.54 C ATOM 281 CD PRO A 19 -8.567 -30.311 12.259 1.00 51.13 C ATOM 0 HA PRO A 19 -11.672 -31.444 12.312 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -10.440 -31.438 14.771 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -9.859 -32.532 13.532 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -8.753 -29.847 14.356 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -7.888 -31.336 14.029 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -8.108 -29.326 12.170 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -7.933 -31.009 11.712 1.00 51.13 H new ATOM 289 N GLY A 20 -11.119 -28.456 13.377 1.00 44.34 N ATOM 290 CA GLY A 20 -11.721 -27.326 14.063 1.00 15.12 C ATOM 291 C GLY A 20 -11.804 -27.564 15.560 1.00 30.50 C ATOM 292 O GLY A 20 -12.809 -27.240 16.199 1.00 30.22 O ATOM 0 H GLY A 20 -10.241 -28.248 12.901 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -11.136 -26.427 13.868 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -12.720 -27.148 13.666 1.00 15.12 H new ATOM 296 N SER A 21 -10.742 -28.142 16.113 1.00 5.35 N ATOM 297 CA SER A 21 -10.692 -28.485 17.529 1.00 13.22 C ATOM 298 C SER A 21 -10.420 -27.240 18.380 1.00 35.21 C ATOM 299 O SER A 21 -10.300 -26.128 17.847 1.00 61.22 O ATOM 300 CB SER A 21 -9.614 -29.553 17.769 1.00 65.31 C ATOM 301 OG SER A 21 -9.620 -30.007 19.111 1.00 31.31 O ATOM 0 H SER A 21 -9.897 -28.384 15.595 1.00 5.35 H new ATOM 0 HA SER A 21 -11.660 -28.889 17.827 1.00 13.22 H new ATOM 0 HB2 SER A 21 -9.780 -30.396 17.098 1.00 65.31 H new ATOM 0 HB3 SER A 21 -8.634 -29.142 17.528 1.00 65.31 H new ATOM 0 HG SER A 21 -8.924 -30.687 19.230 1.00 31.31 H new ATOM 307 N MET A 22 -10.322 -27.443 19.700 1.00 40.34 N ATOM 308 CA MET A 22 -10.126 -26.354 20.664 1.00 11.43 C ATOM 309 C MET A 22 -11.315 -25.390 20.633 1.00 25.31 C ATOM 310 O MET A 22 -11.210 -24.232 21.045 1.00 73.35 O ATOM 311 CB MET A 22 -8.804 -25.608 20.397 1.00 14.10 C ATOM 312 CG MET A 22 -7.562 -26.486 20.533 1.00 73.13 C ATOM 313 SD MET A 22 -6.022 -25.565 20.316 1.00 12.04 S ATOM 314 CE MET A 22 -4.819 -26.888 20.429 1.00 34.42 C ATOM 0 H MET A 22 -10.376 -28.367 20.129 1.00 40.34 H new ATOM 0 HA MET A 22 -10.065 -26.790 21.661 1.00 11.43 H new ATOM 0 HB2 MET A 22 -8.832 -25.187 19.392 1.00 14.10 H new ATOM 0 HB3 MET A 22 -8.724 -24.771 21.091 1.00 14.10 H new ATOM 0 HG2 MET A 22 -7.562 -26.957 21.516 1.00 73.13 H new ATOM 0 HG3 MET A 22 -7.607 -27.287 19.795 1.00 73.13 H new ATOM 0 HE1 MET A 22 -3.816 -26.478 20.314 1.00 34.42 H new ATOM 0 HE2 MET A 22 -4.903 -27.374 21.401 1.00 34.42 H new ATOM 0 HE3 MET A 22 -5.005 -27.618 19.641 1.00 34.42 H new ATOM 324 N ASP A 23 -12.452 -25.898 20.162 1.00 74.42 N ATOM 325 CA ASP A 23 -13.694 -25.129 20.083 1.00 12.13 C ATOM 326 C ASP A 23 -14.834 -26.081 19.698 1.00 74.30 C ATOM 327 O ASP A 23 -14.641 -27.299 19.704 1.00 71.42 O ATOM 328 CB ASP A 23 -13.551 -23.985 19.060 1.00 21.15 C ATOM 329 CG ASP A 23 -14.656 -22.941 19.169 1.00 3.10 C ATOM 330 OD1 ASP A 23 -14.597 -22.091 20.083 1.00 33.13 O ATOM 331 OD2 ASP A 23 -15.592 -22.968 18.349 1.00 40.20 O ATOM 0 H ASP A 23 -12.539 -26.856 19.824 1.00 74.42 H new ATOM 0 HA ASP A 23 -13.917 -24.676 21.049 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -12.586 -23.499 19.201 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -13.553 -24.404 18.054 1.00 21.15 H new ATOM 336 N ASP A 24 -16.013 -25.546 19.382 1.00 42.31 N ATOM 337 CA ASP A 24 -17.159 -26.376 18.998 1.00 42.05 C ATOM 338 C ASP A 24 -17.865 -25.784 17.782 1.00 40.34 C ATOM 339 O ASP A 24 -17.956 -26.418 16.726 1.00 21.12 O ATOM 340 CB ASP A 24 -18.148 -26.493 20.167 1.00 70.42 C ATOM 341 CG ASP A 24 -19.315 -27.429 19.862 1.00 43.13 C ATOM 342 OD1 ASP A 24 -20.250 -27.026 19.140 1.00 14.53 O ATOM 343 OD2 ASP A 24 -19.303 -28.579 20.352 1.00 1.13 O ATOM 0 H ASP A 24 -16.201 -24.544 19.384 1.00 42.31 H new ATOM 0 HA ASP A 24 -16.791 -27.370 18.742 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -17.620 -26.854 21.049 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -18.535 -25.504 20.410 1.00 70.42 H new ATOM 348 N GLU A 25 -18.355 -24.561 17.942 1.00 43.24 N ATOM 349 CA GLU A 25 -19.134 -23.894 16.905 1.00 32.13 C ATOM 350 C GLU A 25 -18.202 -23.268 15.874 1.00 71.11 C ATOM 351 O GLU A 25 -17.671 -22.171 16.083 1.00 11.21 O ATOM 352 CB GLU A 25 -20.029 -22.819 17.530 1.00 24.04 C ATOM 353 CG GLU A 25 -20.777 -23.286 18.775 1.00 41.52 C ATOM 354 CD GLU A 25 -21.574 -22.170 19.426 1.00 11.45 C ATOM 355 OE1 GLU A 25 -21.027 -21.057 19.586 1.00 25.03 O ATOM 356 OE2 GLU A 25 -22.753 -22.395 19.775 1.00 40.34 O ATOM 0 H GLU A 25 -18.225 -24.006 18.788 1.00 43.24 H new ATOM 0 HA GLU A 25 -19.765 -24.630 16.407 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -19.417 -21.955 17.789 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -20.753 -22.485 16.787 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -21.450 -24.100 18.507 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -20.063 -23.687 19.495 1.00 41.52 H new ATOM 363 N LEU A 26 -17.994 -23.974 14.772 1.00 21.21 N ATOM 364 CA LEU A 26 -17.041 -23.547 13.760 1.00 15.43 C ATOM 365 C LEU A 26 -17.640 -22.513 12.823 1.00 11.11 C ATOM 366 O LEU A 26 -18.852 -22.285 12.790 1.00 33.23 O ATOM 367 CB LEU A 26 -16.527 -24.741 12.945 1.00 3.44 C ATOM 368 CG LEU A 26 -15.958 -25.893 13.773 1.00 42.43 C ATOM 369 CD1 LEU A 26 -15.302 -26.957 12.896 1.00 63.11 C ATOM 370 CD2 LEU A 26 -14.990 -25.383 14.846 1.00 21.13 C ATOM 0 H LEU A 26 -18.474 -24.848 14.556 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.205 -23.090 14.289 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -17.344 -25.123 12.333 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -15.755 -24.389 12.261 1.00 3.44 H new ATOM 0 HG LEU A 26 -16.798 -26.368 14.280 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -14.911 -27.757 13.525 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -16.040 -27.366 12.206 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -14.485 -26.509 12.330 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -14.603 -26.227 15.417 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -14.163 -24.857 14.369 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -15.515 -24.702 15.515 1.00 21.13 H new ATOM 382 N TYR A 27 -16.755 -21.897 12.072 1.00 5.01 N ATOM 383 CA TYR A 27 -17.101 -20.926 11.053 1.00 1.23 C ATOM 384 C TYR A 27 -16.635 -21.432 9.696 1.00 21.45 C ATOM 385 O TYR A 27 -15.656 -22.183 9.608 1.00 35.30 O ATOM 386 CB TYR A 27 -16.428 -19.572 11.350 1.00 52.12 C ATOM 387 CG TYR A 27 -17.137 -18.715 12.383 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.598 -19.250 13.583 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.341 -17.358 12.151 1.00 22.21 C ATOM 390 CE1 TYR A 27 -18.246 -18.459 14.514 1.00 54.23 C ATOM 391 CE2 TYR A 27 -17.984 -16.564 13.076 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.434 -17.116 14.255 1.00 13.21 C ATOM 393 OH TYR A 27 -19.083 -16.321 15.174 1.00 30.44 O ATOM 0 H TYR A 27 -15.751 -22.059 12.153 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.182 -20.790 11.049 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.409 -19.757 11.691 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.355 -19.008 10.420 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.447 -20.299 13.790 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -16.989 -16.919 11.229 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.603 -18.889 15.438 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.134 -15.513 12.877 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.130 -15.402 14.836 1.00 30.44 H new ATOM 403 N PHE A 28 -17.360 -21.046 8.659 1.00 71.32 N ATOM 404 CA PHE A 28 -16.920 -21.234 7.286 1.00 10.14 C ATOM 405 C PHE A 28 -16.536 -19.891 6.710 1.00 42.44 C ATOM 406 O PHE A 28 -16.887 -18.848 7.261 1.00 44.14 O ATOM 407 CB PHE A 28 -18.021 -21.874 6.419 1.00 40.34 C ATOM 408 CG PHE A 28 -17.855 -23.356 6.235 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.676 -23.871 5.730 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.873 -24.231 6.557 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.520 -25.227 5.555 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.716 -25.594 6.385 1.00 21.32 C ATOM 413 CZ PHE A 28 -17.539 -26.089 5.885 1.00 60.33 C ATOM 0 H PHE A 28 -18.270 -20.594 8.745 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.065 -21.910 7.286 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.991 -21.679 6.876 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.027 -21.393 5.441 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.869 -23.202 5.470 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.803 -23.846 6.948 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.594 -25.615 5.157 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -19.519 -26.268 6.644 1.00 21.32 H new ATOM 0 HZ PHE A 28 -17.413 -27.153 5.751 1.00 60.33 H new ATOM 423 N VAL A 29 -15.820 -19.915 5.607 1.00 31.31 N ATOM 424 CA VAL A 29 -15.500 -18.700 4.895 1.00 3.35 C ATOM 425 C VAL A 29 -16.585 -18.491 3.847 1.00 63.31 C ATOM 426 O VAL A 29 -17.034 -19.453 3.243 1.00 22.10 O ATOM 427 CB VAL A 29 -14.087 -18.803 4.267 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.844 -17.698 3.244 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.021 -18.778 5.371 1.00 71.30 C ATOM 0 H VAL A 29 -15.448 -20.765 5.184 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.475 -17.840 5.565 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.019 -19.751 3.734 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.843 -17.803 2.826 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.581 -17.774 2.445 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.934 -16.726 3.730 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.030 -18.851 4.922 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -13.098 -17.846 5.930 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.176 -19.620 6.046 1.00 71.30 H new ATOM 439 N VAL A 30 -17.066 -17.266 3.681 1.00 64.44 N ATOM 440 CA VAL A 30 -18.192 -17.008 2.782 1.00 74.31 C ATOM 441 C VAL A 30 -17.978 -15.732 1.983 1.00 41.10 C ATOM 442 O VAL A 30 -17.105 -14.915 2.313 1.00 44.12 O ATOM 443 CB VAL A 30 -19.534 -16.897 3.553 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.762 -18.121 4.437 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.595 -15.604 4.363 1.00 64.13 C ATOM 0 H VAL A 30 -16.700 -16.438 4.152 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.244 -17.859 2.103 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.341 -16.866 2.821 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.709 -18.017 4.966 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.789 -19.017 3.817 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.950 -18.204 5.160 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.546 -15.551 4.893 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.776 -15.587 5.083 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.506 -14.750 3.692 1.00 64.13 H new ATOM 455 N ARG A 31 -18.776 -15.573 0.930 1.00 74.21 N ATOM 456 CA ARG A 31 -18.753 -14.352 0.114 1.00 61.34 C ATOM 457 C ARG A 31 -19.939 -14.330 -0.848 1.00 65.32 C ATOM 458 O ARG A 31 -20.648 -15.325 -0.980 1.00 35.24 O ATOM 459 CB ARG A 31 -17.447 -14.265 -0.690 1.00 41.42 C ATOM 460 CG ARG A 31 -17.264 -15.421 -1.667 1.00 24.13 C ATOM 461 CD ARG A 31 -15.993 -15.289 -2.493 1.00 34.43 C ATOM 462 NE ARG A 31 -15.838 -16.416 -3.415 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.771 -16.631 -4.178 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.734 -15.794 -4.148 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.739 -17.695 -4.968 1.00 53.34 N ATOM 0 H ARG A 31 -19.449 -16.273 0.618 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.818 -13.497 0.786 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.430 -13.325 -1.242 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.604 -14.245 0.000 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.238 -16.360 -1.114 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.124 -15.468 -2.335 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -16.018 -14.356 -3.056 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.129 -15.238 -1.830 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.605 -17.085 -3.476 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.754 -14.979 -3.535 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.920 -15.969 -4.738 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -15.529 -18.340 -4.987 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.925 -17.868 -5.557 1.00 53.34 H new ATOM 479 N ASN A 32 -20.162 -13.192 -1.505 1.00 2.23 N ATOM 480 CA ASN A 32 -21.129 -13.122 -2.604 1.00 31.43 C ATOM 481 C ASN A 32 -20.791 -11.960 -3.535 1.00 1.13 C ATOM 482 O ASN A 32 -20.440 -10.877 -3.072 1.00 32.34 O ATOM 483 CB ASN A 32 -22.547 -12.921 -2.041 1.00 44.45 C ATOM 484 CG ASN A 32 -22.789 -11.499 -1.552 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.385 -10.679 -2.255 1.00 21.30 O ATOM 486 ND2 ASN A 32 -22.284 -11.183 -0.369 1.00 21.21 N ATOM 0 H ASN A 32 -19.691 -12.311 -1.299 1.00 2.23 H new ATOM 0 HA ASN A 32 -21.084 -14.056 -3.164 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -23.278 -13.165 -2.812 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.709 -13.617 -1.217 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.382 -10.233 -0.010 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.798 -11.889 0.183 1.00 21.21 H new ATOM 493 N ASN A 33 -20.933 -12.192 -4.845 1.00 42.50 N ATOM 494 CA ASN A 33 -20.782 -11.154 -5.890 1.00 1.24 C ATOM 495 C ASN A 33 -19.511 -10.280 -5.728 1.00 14.24 C ATOM 496 O ASN A 33 -19.288 -9.355 -6.508 1.00 32.20 O ATOM 497 CB ASN A 33 -22.045 -10.267 -5.892 1.00 73.12 C ATOM 498 CG ASN A 33 -22.068 -9.224 -7.003 1.00 2.33 C ATOM 499 OD1 ASN A 33 -21.529 -9.435 -8.093 1.00 42.53 O ATOM 500 ND2 ASN A 33 -22.701 -8.091 -6.735 1.00 65.15 N ATOM 0 H ASN A 33 -21.158 -13.113 -5.221 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.663 -11.669 -6.843 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.924 -10.904 -5.988 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -22.122 -9.760 -4.930 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -22.755 -7.357 -7.442 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.135 -7.953 -5.822 1.00 65.15 H new ATOM 507 N GLU A 34 -18.662 -10.595 -4.752 1.00 12.12 N ATOM 508 CA GLU A 34 -17.556 -9.709 -4.371 1.00 15.25 C ATOM 509 C GLU A 34 -16.197 -10.313 -4.716 1.00 55.43 C ATOM 510 O GLU A 34 -15.245 -9.594 -5.025 1.00 11.43 O ATOM 511 CB GLU A 34 -17.641 -9.416 -2.867 1.00 31.40 C ATOM 512 CG GLU A 34 -17.470 -10.652 -1.985 1.00 45.21 C ATOM 513 CD GLU A 34 -17.835 -10.391 -0.533 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.035 -9.747 0.180 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.932 -10.814 -0.109 1.00 52.32 O ATOM 0 H GLU A 34 -18.716 -11.456 -4.209 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.649 -8.782 -4.938 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.875 -8.686 -2.605 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.606 -8.957 -2.650 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -18.092 -11.459 -2.372 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.436 -10.992 -2.040 1.00 45.21 H new ATOM 522 N GLY A 35 -16.106 -11.636 -4.649 1.00 13.30 N ATOM 523 CA GLY A 35 -14.841 -12.322 -4.876 1.00 3.53 C ATOM 524 C GLY A 35 -13.929 -12.295 -3.655 1.00 21.20 C ATOM 525 O GLY A 35 -13.062 -13.164 -3.509 1.00 11.05 O ATOM 0 H GLY A 35 -16.891 -12.253 -4.440 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -15.039 -13.357 -5.154 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.327 -11.859 -5.718 1.00 3.53 H new ATOM 529 N GLN A 36 -14.140 -11.321 -2.765 1.00 72.42 N ATOM 530 CA GLN A 36 -13.375 -11.216 -1.519 1.00 74.31 C ATOM 531 C GLN A 36 -13.816 -12.293 -0.535 1.00 21.04 C ATOM 532 O GLN A 36 -14.759 -13.033 -0.807 1.00 51.11 O ATOM 533 CB GLN A 36 -13.540 -9.828 -0.886 1.00 41.20 C ATOM 534 CG GLN A 36 -12.940 -8.693 -1.710 1.00 14.33 C ATOM 535 CD GLN A 36 -12.967 -7.359 -0.978 1.00 24.11 C ATOM 536 OE1 GLN A 36 -13.850 -7.104 -0.158 1.00 61.54 O ATOM 537 NE2 GLN A 36 -11.996 -6.507 -1.258 1.00 51.11 N ATOM 0 H GLN A 36 -14.840 -10.589 -2.886 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.321 -11.361 -1.758 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.602 -9.632 -0.737 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -13.075 -9.832 0.100 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -11.910 -8.941 -1.967 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -13.489 -8.600 -2.647 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -11.282 -6.754 -1.943 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -11.960 -5.602 -0.789 1.00 51.11 H new ATOM 546 N TYR A 37 -13.127 -12.401 0.597 1.00 44.03 N ATOM 547 CA TYR A 37 -13.431 -13.447 1.567 1.00 31.33 C ATOM 548 C TYR A 37 -13.785 -12.883 2.932 1.00 72.14 C ATOM 549 O TYR A 37 -13.088 -12.013 3.463 1.00 73.10 O ATOM 550 CB TYR A 37 -12.247 -14.415 1.694 1.00 65.43 C ATOM 551 CG TYR A 37 -12.221 -15.445 0.592 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.376 -16.132 0.270 1.00 60.30 C ATOM 553 CD2 TYR A 37 -11.064 -15.724 -0.122 1.00 24.31 C ATOM 554 CE1 TYR A 37 -13.387 -17.076 -0.739 1.00 72.34 C ATOM 555 CE2 TYR A 37 -11.063 -16.665 -1.134 1.00 24.44 C ATOM 556 CZ TYR A 37 -12.227 -17.338 -1.439 1.00 11.32 C ATOM 557 OH TYR A 37 -12.229 -18.280 -2.442 1.00 0.35 O ATOM 0 H TYR A 37 -12.361 -11.783 0.864 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.305 -13.983 1.197 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.316 -13.849 1.679 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.297 -14.921 2.658 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -14.285 -15.928 0.816 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.151 -15.198 0.117 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -14.297 -17.605 -0.978 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -10.156 -16.872 -1.683 1.00 24.44 H new ATOM 0 HH TYR A 37 -11.333 -18.342 -2.834 1.00 0.35 H new ATOM 567 N SER A 38 -14.875 -13.397 3.493 1.00 71.15 N ATOM 568 CA SER A 38 -15.250 -13.108 4.865 1.00 73.51 C ATOM 569 C SER A 38 -15.518 -14.419 5.605 1.00 12.10 C ATOM 570 O SER A 38 -15.434 -15.492 5.008 1.00 11.10 O ATOM 571 CB SER A 38 -16.482 -12.190 4.901 1.00 52.44 C ATOM 572 OG SER A 38 -16.230 -10.971 4.214 1.00 71.45 O ATOM 0 H SER A 38 -15.518 -14.023 3.008 1.00 71.15 H new ATOM 0 HA SER A 38 -14.433 -12.586 5.363 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.332 -12.699 4.446 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.753 -11.979 5.936 1.00 52.44 H new ATOM 0 HG SER A 38 -17.029 -10.404 4.249 1.00 71.45 H new ATOM 578 N VAL A 39 -15.814 -14.341 6.900 1.00 63.03 N ATOM 579 CA VAL A 39 -16.100 -15.538 7.692 1.00 5.30 C ATOM 580 C VAL A 39 -17.515 -15.483 8.268 1.00 14.12 C ATOM 581 O VAL A 39 -18.039 -14.405 8.560 1.00 3.12 O ATOM 582 CB VAL A 39 -15.065 -15.736 8.825 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.664 -15.897 8.242 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.110 -14.582 9.820 1.00 24.42 C ATOM 0 H VAL A 39 -15.862 -13.467 7.423 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.028 -16.395 7.022 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.322 -16.647 9.365 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -12.947 -16.035 9.051 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.641 -16.766 7.584 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.402 -15.005 7.673 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.372 -14.749 10.604 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.887 -13.648 9.304 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.104 -14.523 10.264 1.00 24.42 H new ATOM 594 N TRP A 40 -18.119 -16.654 8.433 1.00 31.10 N ATOM 595 CA TRP A 40 -19.529 -16.771 8.792 1.00 74.31 C ATOM 596 C TRP A 40 -19.747 -18.036 9.620 1.00 25.31 C ATOM 597 O TRP A 40 -19.177 -19.083 9.319 1.00 1.51 O ATOM 598 CB TRP A 40 -20.345 -16.818 7.498 1.00 25.04 C ATOM 599 CG TRP A 40 -21.838 -16.766 7.659 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.708 -17.818 7.604 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.640 -15.594 7.855 1.00 63.34 C ATOM 602 NE1 TRP A 40 -23.998 -17.370 7.752 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.981 -16.012 7.912 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.352 -14.233 7.990 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.034 -15.121 8.094 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.398 -13.346 8.173 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.726 -13.794 8.222 1.00 71.21 C ATOM 0 H TRP A 40 -17.645 -17.550 8.322 1.00 31.10 H new ATOM 0 HA TRP A 40 -19.846 -15.919 9.393 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.038 -15.983 6.868 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.089 -17.732 6.963 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.423 -18.850 7.465 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -24.833 -17.955 7.744 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.332 -13.880 7.952 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.057 -15.464 8.133 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.188 -12.292 8.280 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.521 -13.077 8.364 1.00 71.21 H new ATOM 618 N MET A 41 -20.554 -17.930 10.668 1.00 15.53 N ATOM 619 CA MET A 41 -20.804 -19.055 11.569 1.00 1.22 C ATOM 620 C MET A 41 -21.481 -20.208 10.827 1.00 72.33 C ATOM 621 O MET A 41 -22.530 -20.019 10.206 1.00 71.32 O ATOM 622 CB MET A 41 -21.675 -18.604 12.750 1.00 42.31 C ATOM 623 CG MET A 41 -21.875 -19.672 13.815 1.00 31.15 C ATOM 624 SD MET A 41 -22.909 -19.100 15.179 1.00 32.11 S ATOM 625 CE MET A 41 -22.801 -20.495 16.296 1.00 73.30 C ATOM 0 H MET A 41 -21.050 -17.074 10.918 1.00 15.53 H new ATOM 0 HA MET A 41 -19.845 -19.408 11.948 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.219 -17.727 13.210 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.650 -18.295 12.372 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.331 -20.552 13.362 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.904 -19.980 14.203 1.00 31.15 H new ATOM 0 HE1 MET A 41 -23.655 -20.485 16.974 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.804 -21.422 15.722 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.879 -20.428 16.873 1.00 73.30 H new ATOM 635 N ASP A 42 -20.883 -21.396 10.896 1.00 51.30 N ATOM 636 CA ASP A 42 -21.442 -22.578 10.236 1.00 11.42 C ATOM 637 C ASP A 42 -22.796 -22.922 10.852 1.00 34.45 C ATOM 638 O ASP A 42 -23.005 -22.737 12.053 1.00 34.15 O ATOM 639 CB ASP A 42 -20.482 -23.775 10.338 1.00 70.44 C ATOM 640 CG ASP A 42 -21.036 -25.032 9.669 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.402 -24.971 8.472 1.00 62.33 O ATOM 642 OD2 ASP A 42 -21.118 -26.085 10.333 1.00 14.52 O ATOM 0 H ASP A 42 -20.013 -21.567 11.401 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.579 -22.352 9.178 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.530 -23.512 9.877 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.280 -23.986 11.388 1.00 70.44 H new ATOM 647 N GLY A 43 -23.713 -23.396 10.021 1.00 43.50 N ATOM 648 CA GLY A 43 -25.072 -23.665 10.466 1.00 3.14 C ATOM 649 C GLY A 43 -25.994 -22.504 10.142 1.00 31.24 C ATOM 650 O GLY A 43 -27.169 -22.694 9.813 1.00 3.04 O ATOM 0 H GLY A 43 -23.541 -23.602 9.037 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.442 -24.572 9.987 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.076 -23.848 11.541 1.00 3.14 H new ATOM 654 N ARG A 44 -25.443 -21.293 10.217 1.00 4.12 N ATOM 655 CA ARG A 44 -26.185 -20.081 9.887 1.00 32.44 C ATOM 656 C ARG A 44 -26.434 -20.051 8.380 1.00 64.22 C ATOM 657 O ARG A 44 -25.571 -19.641 7.603 1.00 52.23 O ATOM 658 CB ARG A 44 -25.400 -18.835 10.351 1.00 0.23 C ATOM 659 CG ARG A 44 -26.245 -17.783 11.069 1.00 25.34 C ATOM 660 CD ARG A 44 -25.386 -16.630 11.582 1.00 30.41 C ATOM 661 NE ARG A 44 -26.102 -15.791 12.545 1.00 65.32 N ATOM 662 CZ ARG A 44 -25.571 -15.331 13.679 1.00 41.11 C ATOM 663 NH1 ARG A 44 -24.296 -15.568 13.971 1.00 33.33 N ATOM 664 NH2 ARG A 44 -26.315 -14.628 14.521 1.00 23.54 N ATOM 0 H ARG A 44 -24.479 -21.127 10.506 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.145 -20.076 10.404 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -24.598 -19.154 11.016 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.930 -18.374 9.483 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -27.004 -17.398 10.388 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -26.771 -18.246 11.904 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -24.486 -17.030 12.050 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -25.062 -16.018 10.740 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.069 -15.542 12.335 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -23.716 -16.105 13.326 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -23.897 -15.213 14.840 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -27.293 -14.439 14.302 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -25.910 -14.276 15.388 1.00 23.54 H new ATOM 678 N SER A 45 -27.606 -20.525 7.976 1.00 20.53 N ATOM 679 CA SER A 45 -27.931 -20.713 6.567 1.00 5.15 C ATOM 680 C SER A 45 -27.893 -19.400 5.794 1.00 72.32 C ATOM 681 O SER A 45 -28.537 -18.418 6.168 1.00 4.10 O ATOM 682 CB SER A 45 -29.307 -21.374 6.445 1.00 43.33 C ATOM 683 OG SER A 45 -29.390 -22.510 7.301 1.00 24.12 O ATOM 0 H SER A 45 -28.357 -20.789 8.614 1.00 20.53 H new ATOM 0 HA SER A 45 -27.175 -21.362 6.126 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.086 -20.657 6.705 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.483 -21.675 5.412 1.00 43.33 H new ATOM 0 HG SER A 45 -30.275 -22.921 7.214 1.00 24.12 H new ATOM 689 N LEU A 46 -27.115 -19.406 4.719 1.00 30.11 N ATOM 690 CA LEU A 46 -26.957 -18.254 3.850 1.00 41.30 C ATOM 691 C LEU A 46 -28.071 -18.202 2.803 1.00 52.25 C ATOM 692 O LEU A 46 -28.570 -19.241 2.365 1.00 65.25 O ATOM 693 CB LEU A 46 -25.594 -18.328 3.152 1.00 31.30 C ATOM 694 CG LEU A 46 -24.376 -18.010 4.031 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.082 -18.300 3.280 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.402 -16.554 4.482 1.00 11.43 C ATOM 0 H LEU A 46 -26.573 -20.219 4.426 1.00 30.11 H new ATOM 0 HA LEU A 46 -27.015 -17.350 4.456 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.471 -19.330 2.742 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.600 -17.637 2.309 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.420 -18.649 4.913 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.230 -18.068 3.920 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.051 -19.353 3.002 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.038 -17.686 2.381 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.530 -16.350 5.104 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.385 -15.902 3.609 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.309 -16.367 5.057 1.00 11.43 H new ATOM 708 N PRO A 47 -28.473 -16.987 2.388 1.00 40.22 N ATOM 709 CA PRO A 47 -29.472 -16.804 1.337 1.00 35.22 C ATOM 710 C PRO A 47 -28.876 -16.992 -0.062 1.00 3.22 C ATOM 711 O PRO A 47 -27.658 -16.884 -0.252 1.00 43.43 O ATOM 712 CB PRO A 47 -29.943 -15.362 1.546 1.00 55.23 C ATOM 713 CG PRO A 47 -28.783 -14.658 2.172 1.00 33.22 C ATOM 714 CD PRO A 47 -27.987 -15.699 2.924 1.00 72.34 C ATOM 0 HA PRO A 47 -30.278 -17.535 1.398 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -30.222 -14.898 0.600 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -30.821 -15.324 2.191 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -28.168 -14.177 1.411 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.126 -13.874 2.847 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.917 -15.578 2.758 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.153 -15.627 3.999 1.00 72.34 H new ATOM 722 N ALA A 48 -29.745 -17.263 -1.036 1.00 24.10 N ATOM 723 CA ALA A 48 -29.323 -17.507 -2.413 1.00 45.31 C ATOM 724 C ALA A 48 -28.458 -16.358 -2.926 1.00 10.30 C ATOM 725 O ALA A 48 -28.854 -15.187 -2.867 1.00 50.42 O ATOM 726 CB ALA A 48 -30.536 -17.712 -3.313 1.00 71.43 C ATOM 0 H ALA A 48 -30.753 -17.319 -0.893 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.723 -18.417 -2.432 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.204 -17.893 -4.335 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.110 -18.569 -2.961 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.163 -16.821 -3.287 1.00 71.43 H new ATOM 732 N GLY A 49 -27.281 -16.707 -3.427 1.00 61.20 N ATOM 733 CA GLY A 49 -26.314 -15.713 -3.852 1.00 60.31 C ATOM 734 C GLY A 49 -25.058 -15.764 -3.007 1.00 71.01 C ATOM 735 O GLY A 49 -23.952 -15.549 -3.507 1.00 13.20 O ATOM 0 H GLY A 49 -26.976 -17.673 -3.548 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.057 -15.878 -4.898 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.758 -14.720 -3.786 1.00 60.31 H new ATOM 739 N TRP A 50 -25.224 -16.061 -1.719 1.00 52.24 N ATOM 740 CA TRP A 50 -24.088 -16.192 -0.810 1.00 31.12 C ATOM 741 C TRP A 50 -23.495 -17.591 -0.916 1.00 32.34 C ATOM 742 O TRP A 50 -24.226 -18.584 -0.939 1.00 34.24 O ATOM 743 CB TRP A 50 -24.512 -15.901 0.634 1.00 51.44 C ATOM 744 CG TRP A 50 -24.827 -14.455 0.886 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.898 -13.749 0.419 1.00 43.21 C ATOM 746 CD2 TRP A 50 -24.057 -13.542 1.672 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.840 -12.454 0.868 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.719 -12.301 1.642 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.869 -13.655 2.403 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -24.233 -11.181 2.312 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -22.388 -12.543 3.067 1.00 43.03 C ATOM 752 CH2 TRP A 50 -23.070 -11.320 3.020 1.00 53.43 C ATOM 0 H TRP A 50 -26.133 -16.215 -1.283 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.329 -15.463 -1.095 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.388 -16.503 0.875 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.715 -16.214 1.308 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.677 -14.151 -0.212 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.521 -11.723 0.660 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.338 -14.594 2.447 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.755 -10.236 2.274 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.471 -12.618 3.632 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.670 -10.470 3.553 1.00 53.43 H new ATOM 763 N GLU A 51 -22.171 -17.663 -0.989 1.00 31.52 N ATOM 764 CA GLU A 51 -21.469 -18.929 -1.171 1.00 65.54 C ATOM 765 C GLU A 51 -20.540 -19.198 0.011 1.00 44.41 C ATOM 766 O GLU A 51 -19.980 -18.256 0.607 1.00 23.22 O ATOM 767 CB GLU A 51 -20.671 -18.910 -2.486 1.00 21.21 C ATOM 768 CG GLU A 51 -19.487 -17.955 -2.453 1.00 31.04 C ATOM 769 CD GLU A 51 -18.896 -17.674 -3.824 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.389 -16.755 -4.515 1.00 2.31 O ATOM 771 OE2 GLU A 51 -17.920 -18.351 -4.213 1.00 74.23 O ATOM 0 H GLU A 51 -21.557 -16.851 -0.924 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.205 -19.731 -1.221 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.312 -19.917 -2.701 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.335 -18.627 -3.303 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.802 -17.014 -2.002 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.712 -18.372 -1.811 1.00 31.04 H new ATOM 778 N THR A 52 -20.396 -20.484 0.330 1.00 32.54 N ATOM 779 CA THR A 52 -19.544 -20.952 1.416 1.00 63.35 C ATOM 780 C THR A 52 -18.269 -21.574 0.852 1.00 21.15 C ATOM 781 O THR A 52 -18.253 -22.034 -0.289 1.00 10.23 O ATOM 782 CB THR A 52 -20.277 -21.994 2.294 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.803 -23.048 1.473 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.410 -21.357 3.087 1.00 41.04 C ATOM 0 H THR A 52 -20.874 -21.236 -0.166 1.00 32.54 H new ATOM 0 HA THR A 52 -19.291 -20.092 2.036 1.00 63.35 H new ATOM 0 HB THR A 52 -19.552 -22.401 2.998 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.264 -23.703 2.037 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.903 -22.118 3.692 1.00 41.04 H new ATOM 0 HG22 THR A 52 -21.007 -20.580 3.737 1.00 41.04 H new ATOM 0 HG23 THR A 52 -22.132 -20.916 2.400 1.00 41.04 H new ATOM 792 N VAL A 53 -17.217 -21.604 1.668 1.00 23.41 N ATOM 793 CA VAL A 53 -15.887 -22.030 1.226 1.00 22.34 C ATOM 794 C VAL A 53 -14.975 -22.325 2.417 1.00 44.25 C ATOM 795 O VAL A 53 -15.191 -21.827 3.536 1.00 74.21 O ATOM 796 CB VAL A 53 -15.191 -20.971 0.309 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.471 -21.241 -1.167 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.623 -19.556 0.671 1.00 31.43 C ATOM 0 H VAL A 53 -17.260 -21.335 2.651 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.044 -22.939 0.646 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.118 -21.059 0.477 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.973 -20.487 -1.776 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.095 -22.229 -1.434 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.545 -21.201 -1.347 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.122 -18.844 0.016 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.702 -19.463 0.550 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.355 -19.347 1.707 1.00 31.43 H new ATOM 808 N GLY A 54 -13.949 -23.136 2.151 1.00 3.04 N ATOM 809 CA GLY A 54 -12.975 -23.497 3.164 1.00 22.23 C ATOM 810 C GLY A 54 -13.409 -24.701 3.965 1.00 33.01 C ATOM 811 O GLY A 54 -14.413 -25.334 3.638 1.00 72.20 O ATOM 0 H GLY A 54 -13.777 -23.553 1.236 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -12.017 -23.705 2.687 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.820 -22.652 3.835 1.00 22.23 H new ATOM 815 N GLU A 55 -12.635 -25.024 4.992 1.00 4.43 N ATOM 816 CA GLU A 55 -12.983 -26.063 5.947 1.00 31.03 C ATOM 817 C GLU A 55 -13.432 -25.401 7.255 1.00 24.14 C ATOM 818 O GLU A 55 -12.911 -24.345 7.622 1.00 23.13 O ATOM 819 CB GLU A 55 -11.780 -26.998 6.178 1.00 24.22 C ATOM 820 CG GLU A 55 -11.924 -28.370 5.521 1.00 31.31 C ATOM 821 CD GLU A 55 -11.654 -28.372 4.020 1.00 15.13 C ATOM 822 OE1 GLU A 55 -12.472 -27.821 3.254 1.00 72.41 O ATOM 823 OE2 GLU A 55 -10.637 -28.967 3.598 1.00 54.04 O ATOM 0 H GLU A 55 -11.743 -24.569 5.186 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.801 -26.670 5.558 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.880 -26.516 5.796 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -11.639 -27.133 7.250 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.238 -29.066 6.004 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -12.933 -28.742 5.698 1.00 31.31 H new ATOM 830 N PRO A 56 -14.419 -25.986 7.966 1.00 15.13 N ATOM 831 CA PRO A 56 -14.981 -25.366 9.169 1.00 1.52 C ATOM 832 C PRO A 56 -13.953 -25.245 10.296 1.00 72.40 C ATOM 833 O PRO A 56 -13.158 -26.157 10.534 1.00 53.12 O ATOM 834 CB PRO A 56 -16.141 -26.298 9.558 1.00 31.21 C ATOM 835 CG PRO A 56 -15.814 -27.608 8.919 1.00 3.01 C ATOM 836 CD PRO A 56 -15.060 -27.279 7.658 1.00 64.45 C ATOM 0 HA PRO A 56 -15.306 -24.341 8.987 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.223 -26.396 10.640 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.095 -25.911 9.200 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.211 -28.226 9.584 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.721 -28.170 8.696 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -14.323 -28.046 7.420 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.728 -27.201 6.800 1.00 64.45 H new ATOM 844 N ALA A 57 -13.995 -24.114 10.997 1.00 33.55 N ATOM 845 CA ALA A 57 -13.013 -23.788 12.030 1.00 55.44 C ATOM 846 C ALA A 57 -13.454 -22.535 12.781 1.00 31.23 C ATOM 847 O ALA A 57 -14.071 -21.654 12.191 1.00 52.10 O ATOM 848 CB ALA A 57 -11.631 -23.586 11.411 1.00 52.45 C ATOM 0 H ALA A 57 -14.710 -23.398 10.866 1.00 33.55 H new ATOM 0 HA ALA A 57 -12.949 -24.618 12.734 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -10.913 -23.344 12.195 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.322 -24.501 10.905 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.671 -22.769 10.691 1.00 52.45 H new ATOM 854 N THR A 58 -13.143 -22.452 14.074 1.00 61.34 N ATOM 855 CA THR A 58 -13.596 -21.332 14.904 1.00 41.54 C ATOM 856 C THR A 58 -13.077 -19.993 14.362 1.00 53.23 C ATOM 857 O THR A 58 -12.182 -19.968 13.515 1.00 72.34 O ATOM 858 CB THR A 58 -13.152 -21.502 16.375 1.00 32.00 C ATOM 859 OG1 THR A 58 -13.784 -20.510 17.194 1.00 12.31 O ATOM 860 CG2 THR A 58 -11.637 -21.387 16.510 1.00 4.31 C ATOM 0 H THR A 58 -12.581 -23.144 14.570 1.00 61.34 H new ATOM 0 HA THR A 58 -14.685 -21.330 14.866 1.00 41.54 H new ATOM 0 HB THR A 58 -13.452 -22.496 16.705 1.00 32.00 H new ATOM 0 HG1 THR A 58 -13.500 -20.625 18.125 1.00 12.31 H new ATOM 0 HG21 THR A 58 -11.354 -21.511 17.555 1.00 4.31 H new ATOM 0 HG22 THR A 58 -11.158 -22.162 15.911 1.00 4.31 H new ATOM 0 HG23 THR A 58 -11.314 -20.406 16.160 1.00 4.31 H new ATOM 868 N LYS A 59 -13.621 -18.892 14.891 1.00 20.01 N ATOM 869 CA LYS A 59 -13.324 -17.538 14.406 1.00 44.32 C ATOM 870 C LYS A 59 -11.825 -17.334 14.161 1.00 75.31 C ATOM 871 O LYS A 59 -11.426 -16.911 13.076 1.00 55.41 O ATOM 872 CB LYS A 59 -13.849 -16.499 15.415 1.00 22.43 C ATOM 873 CG LYS A 59 -13.435 -15.053 15.125 1.00 75.31 C ATOM 874 CD LYS A 59 -14.057 -14.495 13.840 1.00 22.03 C ATOM 875 CE LYS A 59 -13.635 -13.041 13.609 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.284 -12.434 12.413 1.00 44.44 N ATOM 0 H LYS A 59 -14.281 -18.914 15.669 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.829 -17.405 13.449 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.937 -16.553 15.437 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.497 -16.770 16.410 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -13.726 -14.423 15.965 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.349 -15.001 15.048 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -13.751 -15.105 12.990 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.144 -14.556 13.902 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.884 -12.451 14.491 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -12.552 -12.996 13.491 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -14.099 -11.411 12.400 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -13.897 -12.867 11.550 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -15.310 -12.600 12.453 1.00 44.44 H new ATOM 890 N GLN A 60 -11.005 -17.658 15.162 1.00 12.52 N ATOM 891 CA GLN A 60 -9.553 -17.467 15.070 1.00 60.11 C ATOM 892 C GLN A 60 -8.968 -18.190 13.853 1.00 73.42 C ATOM 893 O GLN A 60 -8.208 -17.611 13.080 1.00 12.21 O ATOM 894 CB GLN A 60 -8.866 -17.960 16.353 1.00 71.20 C ATOM 895 CG GLN A 60 -7.347 -17.780 16.354 1.00 21.32 C ATOM 896 CD GLN A 60 -6.685 -18.227 17.653 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.383 -18.080 18.770 1.00 72.30 O flip ATOM 898 NE2 GLN A 60 -5.544 -18.690 17.650 1.00 42.31 N flip ATOM 0 H GLN A 60 -11.320 -18.054 16.047 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.367 -16.400 14.951 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -9.285 -17.426 17.206 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.097 -19.016 16.494 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -6.921 -18.345 15.525 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.113 -16.730 16.178 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -5.036 -18.789 16.771 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -5.107 -18.975 18.526 1.00 42.31 H new ATOM 907 N GLN A 61 -9.348 -19.450 13.681 1.00 11.51 N ATOM 908 CA GLN A 61 -8.804 -20.280 12.607 1.00 25.23 C ATOM 909 C GLN A 61 -9.397 -19.886 11.249 1.00 25.12 C ATOM 910 O GLN A 61 -8.705 -19.907 10.228 1.00 72.45 O ATOM 911 CB GLN A 61 -9.057 -21.768 12.915 1.00 32.13 C ATOM 912 CG GLN A 61 -8.193 -22.316 14.052 1.00 4.10 C ATOM 913 CD GLN A 61 -8.534 -23.755 14.432 1.00 71.32 C ATOM 914 OE1 GLN A 61 -9.335 -23.924 15.478 1.00 3.32 O flip ATOM 915 NE2 GLN A 61 -8.046 -24.705 13.823 1.00 15.31 N flip ATOM 0 H GLN A 61 -10.032 -19.923 14.272 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.728 -20.115 12.550 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.108 -21.903 13.171 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.871 -22.353 12.014 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -7.144 -22.264 13.759 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.311 -21.679 14.928 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -7.435 -24.539 13.024 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -8.253 -25.660 14.117 1.00 15.31 H new ATOM 924 N CYS A 62 -10.669 -19.499 11.255 1.00 12.43 N ATOM 925 CA CYS A 62 -11.377 -19.112 10.036 1.00 63.15 C ATOM 926 C CYS A 62 -10.763 -17.834 9.458 1.00 45.14 C ATOM 927 O CYS A 62 -10.503 -17.753 8.255 1.00 24.33 O ATOM 928 CB CYS A 62 -12.867 -18.913 10.341 1.00 43.44 C ATOM 929 SG CYS A 62 -13.938 -18.980 8.887 1.00 5.43 S ATOM 0 H CYS A 62 -11.237 -19.444 12.100 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.280 -19.904 9.294 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.186 -19.678 11.049 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.000 -17.949 10.832 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.324 -20.205 8.688 1.00 5.43 H new ATOM 935 N LEU A 63 -10.516 -16.839 10.320 1.00 32.10 N ATOM 936 CA LEU A 63 -9.876 -15.603 9.875 1.00 54.21 C ATOM 937 C LEU A 63 -8.429 -15.882 9.480 1.00 45.12 C ATOM 938 O LEU A 63 -7.976 -15.439 8.429 1.00 0.30 O ATOM 939 CB LEU A 63 -9.981 -14.474 10.934 1.00 51.43 C ATOM 940 CG LEU A 63 -9.339 -14.732 12.318 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.846 -14.398 12.322 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.065 -13.941 13.409 1.00 43.32 C ATOM 0 H LEU A 63 -10.747 -16.867 11.313 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.410 -15.240 8.997 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.527 -13.576 10.515 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.037 -14.255 11.089 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.441 -15.796 12.529 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.432 -14.593 13.311 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.333 -15.017 11.586 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.708 -13.346 12.071 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.597 -14.138 14.374 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.005 -12.876 13.187 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.111 -14.246 13.445 1.00 43.32 H new ATOM 954 N GLN A 64 -7.719 -16.659 10.300 1.00 23.35 N ATOM 955 CA GLN A 64 -6.326 -16.999 10.018 1.00 61.05 C ATOM 956 C GLN A 64 -6.217 -17.626 8.632 1.00 42.03 C ATOM 957 O GLN A 64 -5.277 -17.362 7.883 1.00 43.03 O ATOM 958 CB GLN A 64 -5.776 -17.969 11.077 1.00 61.12 C ATOM 959 CG GLN A 64 -4.287 -18.272 10.924 1.00 33.54 C ATOM 960 CD GLN A 64 -3.781 -19.293 11.930 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.365 -18.948 13.036 1.00 25.14 O ATOM 962 NE2 GLN A 64 -3.802 -20.562 11.545 1.00 60.21 N ATOM 0 H GLN A 64 -8.086 -17.063 11.162 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.734 -16.084 10.049 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -5.951 -17.548 12.067 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.334 -18.904 11.024 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.099 -18.640 9.915 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.721 -17.348 11.037 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.154 -20.809 10.620 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -3.466 -21.291 12.174 1.00 60.21 H new ATOM 971 N ARG A 65 -7.214 -18.436 8.292 1.00 40.34 N ATOM 972 CA ARG A 65 -7.250 -19.120 7.008 1.00 13.52 C ATOM 973 C ARG A 65 -7.188 -18.122 5.849 1.00 14.24 C ATOM 974 O ARG A 65 -6.342 -18.240 4.966 1.00 44.41 O ATOM 975 CB ARG A 65 -8.527 -19.961 6.894 1.00 2.22 C ATOM 976 CG ARG A 65 -8.692 -20.642 5.543 1.00 23.32 C ATOM 977 CD ARG A 65 -10.094 -21.208 5.358 1.00 54.45 C ATOM 978 NE ARG A 65 -10.282 -21.736 4.006 1.00 65.22 N ATOM 979 CZ ARG A 65 -10.648 -20.997 2.951 1.00 14.34 C ATOM 980 NH1 ARG A 65 -10.893 -19.698 3.096 1.00 74.43 N ATOM 981 NH2 ARG A 65 -10.759 -21.555 1.751 1.00 73.25 N ATOM 0 H ARG A 65 -8.013 -18.635 8.894 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.378 -19.771 6.950 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.522 -20.721 7.676 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.390 -19.321 7.076 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.482 -19.926 4.748 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.961 -21.445 5.450 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.268 -22.000 6.087 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -10.831 -20.429 5.552 1.00 54.45 H new ATOM 0 HE ARG A 65 -10.124 -22.733 3.858 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -10.802 -19.261 4.013 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -11.172 -19.138 2.290 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -10.565 -22.549 1.631 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -11.038 -20.989 0.949 1.00 73.25 H new ATOM 995 N ILE A 66 -8.087 -17.143 5.862 1.00 5.32 N ATOM 996 CA ILE A 66 -8.200 -16.189 4.758 1.00 74.32 C ATOM 997 C ILE A 66 -7.055 -15.177 4.760 1.00 34.13 C ATOM 998 O ILE A 66 -6.600 -14.740 3.697 1.00 70.50 O ATOM 999 CB ILE A 66 -9.559 -15.440 4.774 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.848 -14.853 6.166 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.681 -16.374 4.337 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.074 -13.964 6.217 1.00 42.21 C ATOM 0 H ILE A 66 -8.748 -16.987 6.623 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.141 -16.778 3.843 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.503 -14.611 4.068 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.975 -15.671 6.875 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.981 -14.279 6.494 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.629 -15.836 4.353 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.484 -16.732 3.327 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.734 -17.223 5.019 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.210 -13.590 7.232 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.943 -13.124 5.535 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.952 -14.538 5.921 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.589 -14.811 5.948 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.498 -13.854 6.073 1.00 71.01 C ATOM 1016 C GLU A 67 -4.219 -14.421 5.460 1.00 51.43 C ATOM 1017 O GLU A 67 -3.515 -13.728 4.728 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.270 -13.482 7.541 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.493 -12.880 8.227 1.00 14.42 C ATOM 1020 CD GLU A 67 -7.018 -11.627 7.547 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.203 -10.768 7.158 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -8.254 -11.473 7.439 1.00 43.23 O ATOM 0 H GLU A 67 -6.949 -15.162 6.836 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.771 -12.949 5.530 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -4.962 -14.374 8.087 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.446 -12.771 7.601 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.287 -13.627 8.257 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.240 -12.643 9.260 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.948 -15.697 5.729 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.756 -16.365 5.198 1.00 35.25 C ATOM 1031 C GLN A 68 -2.918 -16.678 3.705 1.00 3.20 C ATOM 1032 O GLN A 68 -2.061 -17.323 3.099 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.470 -17.656 5.984 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.259 -17.437 7.480 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.101 -16.503 7.793 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -0.111 -16.445 7.058 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.222 -15.756 8.878 1.00 13.54 N ATOM 0 H GLN A 68 -4.537 -16.291 6.312 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.910 -15.687 5.313 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.300 -18.348 5.842 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.583 -18.134 5.568 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -3.173 -17.030 7.913 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.080 -18.399 7.960 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -2.056 -15.833 9.460 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.481 -15.103 9.133 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.024 -16.225 3.123 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.284 -16.392 1.693 1.00 22.31 C ATOM 1048 C LEU A 69 -4.032 -15.087 0.943 1.00 33.43 C ATOM 1049 O LEU A 69 -3.133 -15.003 0.109 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.720 -16.879 1.448 1.00 23.42 C ATOM 1051 CG LEU A 69 -6.027 -18.310 1.927 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.494 -18.663 1.685 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -5.111 -19.320 1.237 1.00 42.22 C ATOM 0 H LEU A 69 -4.764 -15.734 3.625 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.597 -17.149 1.314 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.407 -16.194 1.944 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.927 -16.820 0.380 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.839 -18.353 3.000 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.686 -19.678 2.032 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -8.131 -17.967 2.231 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.713 -18.596 0.619 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.345 -20.324 1.590 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.262 -19.270 0.159 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -4.072 -19.087 1.469 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.846 -14.074 1.249 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.764 -12.770 0.581 1.00 33.32 C ATOM 1067 C TRP A 70 -3.722 -11.872 1.250 1.00 14.11 C ATOM 1068 O TRP A 70 -2.838 -11.324 0.590 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.137 -12.076 0.595 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.168 -12.751 -0.267 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -7.549 -14.062 -0.224 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.964 -12.137 -1.292 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -8.518 -14.303 -1.169 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -8.793 -13.138 -1.833 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -8.052 -10.838 -1.806 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -9.697 -12.880 -2.860 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.951 -10.586 -2.826 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -9.762 -11.602 -3.343 1.00 22.44 C ATOM 0 H TRP A 70 -5.575 -14.132 1.960 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.458 -12.941 -0.451 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -6.504 -12.038 1.621 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.016 -11.046 0.261 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -7.148 -14.801 0.453 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -8.961 -15.205 -1.347 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.430 -10.048 -1.413 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -10.325 -13.662 -3.261 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.028 -9.588 -3.231 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -10.454 -11.372 -4.140 1.00 22.44 H new ATOM 1089 N THR A 71 -3.846 -11.732 2.565 1.00 54.12 N ATOM 1090 CA THR A 71 -2.964 -10.883 3.359 1.00 14.01 C ATOM 1091 C THR A 71 -1.576 -11.523 3.515 1.00 15.51 C ATOM 1092 O THR A 71 -0.633 -10.876 3.982 1.00 20.13 O ATOM 1093 CB THR A 71 -3.588 -10.620 4.752 1.00 13.44 C ATOM 1094 OG1 THR A 71 -4.962 -10.231 4.604 1.00 21.02 O ATOM 1095 CG2 THR A 71 -2.839 -9.529 5.509 1.00 55.35 C ATOM 0 H THR A 71 -4.564 -12.206 3.113 1.00 54.12 H new ATOM 0 HA THR A 71 -2.845 -9.934 2.836 1.00 14.01 H new ATOM 0 HB THR A 71 -3.517 -11.545 5.325 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.444 -10.407 5.439 1.00 21.02 H new ATOM 0 HG21 THR A 71 -3.307 -9.374 6.481 1.00 55.35 H new ATOM 0 HG22 THR A 71 -1.801 -9.831 5.650 1.00 55.35 H new ATOM 0 HG23 THR A 71 -2.873 -8.601 4.938 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.482 -12.803 3.125 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.283 -13.631 3.326 1.00 73.31 C ATOM 1105 C ASP A 72 1.009 -12.864 3.027 1.00 64.32 C ATOM 1106 O ASP A 72 2.028 -13.066 3.692 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.333 -14.886 2.440 1.00 14.44 C ATOM 1108 CG ASP A 72 0.113 -14.632 1.004 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.519 -13.810 0.314 1.00 35.04 O ATOM 1110 OD2 ASP A 72 1.110 -15.251 0.564 1.00 33.45 O ATOM 0 H ASP A 72 -2.242 -13.297 2.657 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.278 -13.917 4.378 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.301 -15.657 2.879 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.351 -15.276 2.433 1.00 14.44 H new ATOM 1115 N MET A 73 0.961 -12.008 2.005 1.00 3.33 N ATOM 1116 CA MET A 73 2.096 -11.163 1.644 1.00 42.30 C ATOM 1117 C MET A 73 2.388 -10.172 2.767 1.00 21.21 C ATOM 1118 O MET A 73 1.988 -9.004 2.714 1.00 61.04 O ATOM 1119 CB MET A 73 1.824 -10.422 0.325 1.00 75.02 C ATOM 1120 CG MET A 73 1.687 -11.345 -0.879 1.00 60.21 C ATOM 1121 SD MET A 73 3.202 -12.262 -1.230 1.00 34.12 S ATOM 1122 CE MET A 73 4.343 -10.922 -1.575 1.00 71.41 C ATOM 0 H MET A 73 0.142 -11.883 1.410 1.00 3.33 H new ATOM 0 HA MET A 73 2.971 -11.797 1.501 1.00 42.30 H new ATOM 0 HB2 MET A 73 0.910 -9.837 0.429 1.00 75.02 H new ATOM 0 HB3 MET A 73 2.635 -9.717 0.141 1.00 75.02 H new ATOM 0 HG2 MET A 73 0.874 -12.049 -0.701 1.00 60.21 H new ATOM 0 HG3 MET A 73 1.413 -10.756 -1.754 1.00 60.21 H new ATOM 0 HE1 MET A 73 5.202 -11.308 -2.125 1.00 71.41 H new ATOM 0 HE2 MET A 73 3.841 -10.161 -2.173 1.00 71.41 H new ATOM 0 HE3 MET A 73 4.681 -10.481 -0.637 1.00 71.41 H new ATOM 1132 N VAL A 74 3.065 -10.658 3.796 1.00 33.41 N ATOM 1133 CA VAL A 74 3.348 -9.873 4.985 1.00 45.22 C ATOM 1134 C VAL A 74 4.753 -9.267 4.915 1.00 1.21 C ATOM 1135 O VAL A 74 5.712 -9.941 4.521 1.00 54.40 O ATOM 1136 CB VAL A 74 3.206 -10.746 6.260 1.00 10.10 C ATOM 1137 CG1 VAL A 74 4.186 -11.916 6.231 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.384 -9.915 7.531 1.00 71.12 C ATOM 0 H VAL A 74 3.433 -11.609 3.829 1.00 33.41 H new ATOM 0 HA VAL A 74 2.623 -9.060 5.034 1.00 45.22 H new ATOM 0 HB VAL A 74 2.194 -11.150 6.271 1.00 10.10 H new ATOM 0 HG11 VAL A 74 4.067 -12.513 7.135 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.986 -12.537 5.358 1.00 23.42 H new ATOM 0 HG13 VAL A 74 5.206 -11.535 6.179 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.278 -10.559 8.404 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.375 -9.461 7.533 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.626 -9.132 7.563 1.00 71.12 H new ATOM 1148 N PRO A 75 4.884 -7.975 5.270 1.00 55.42 N ATOM 1149 CA PRO A 75 6.180 -7.290 5.301 1.00 60.35 C ATOM 1150 C PRO A 75 6.978 -7.646 6.560 1.00 72.13 C ATOM 1151 O PRO A 75 6.683 -8.643 7.226 1.00 1.32 O ATOM 1152 CB PRO A 75 5.780 -5.809 5.291 1.00 71.04 C ATOM 1153 CG PRO A 75 4.457 -5.770 5.978 1.00 45.31 C ATOM 1154 CD PRO A 75 3.773 -7.079 5.657 1.00 22.00 C ATOM 0 HA PRO A 75 6.831 -7.568 4.472 1.00 60.35 H new ATOM 0 HB2 PRO A 75 6.515 -5.197 5.813 1.00 71.04 H new ATOM 0 HB3 PRO A 75 5.709 -5.425 4.273 1.00 71.04 H new ATOM 0 HG2 PRO A 75 4.581 -5.650 7.054 1.00 45.31 H new ATOM 0 HG3 PRO A 75 3.863 -4.925 5.630 1.00 45.31 H new ATOM 0 HD2 PRO A 75 3.228 -7.467 6.518 1.00 22.00 H new ATOM 0 HD3 PRO A 75 3.051 -6.965 4.848 1.00 22.00 H new ATOM 1162 N ALA A 76 7.975 -6.819 6.891 1.00 51.25 N ATOM 1163 CA ALA A 76 8.826 -7.036 8.068 1.00 24.45 C ATOM 1164 C ALA A 76 7.999 -7.208 9.347 1.00 43.13 C ATOM 1165 O ALA A 76 8.489 -7.736 10.350 1.00 43.44 O ATOM 1166 CB ALA A 76 9.813 -5.881 8.226 1.00 60.32 C ATOM 0 H ALA A 76 8.215 -5.985 6.355 1.00 51.25 H new ATOM 0 HA ALA A 76 9.379 -7.962 7.909 1.00 24.45 H new ATOM 0 HB1 ALA A 76 10.438 -6.054 9.102 1.00 60.32 H new ATOM 0 HB2 ALA A 76 10.442 -5.816 7.338 1.00 60.32 H new ATOM 0 HB3 ALA A 76 9.264 -4.948 8.350 1.00 60.32 H new ATOM 1172 N SER A 77 6.744 -6.762 9.296 1.00 71.53 N ATOM 1173 CA SER A 77 5.813 -6.894 10.413 1.00 24.45 C ATOM 1174 C SER A 77 5.739 -8.343 10.914 1.00 52.41 C ATOM 1175 O SER A 77 5.467 -8.584 12.092 1.00 1.13 O ATOM 1176 CB SER A 77 4.419 -6.399 9.991 1.00 43.23 C ATOM 1177 OG SER A 77 3.488 -6.502 11.053 1.00 75.44 O ATOM 0 H SER A 77 6.346 -6.299 8.479 1.00 71.53 H new ATOM 0 HA SER A 77 6.179 -6.280 11.236 1.00 24.45 H new ATOM 0 HB2 SER A 77 4.484 -5.362 9.662 1.00 43.23 H new ATOM 0 HB3 SER A 77 4.067 -6.982 9.140 1.00 43.23 H new ATOM 0 HG SER A 77 3.353 -5.619 11.457 1.00 75.44 H new ATOM 1183 N VAL A 78 5.998 -9.306 10.026 1.00 50.43 N ATOM 1184 CA VAL A 78 6.000 -10.716 10.412 1.00 1.34 C ATOM 1185 C VAL A 78 7.042 -10.971 11.504 1.00 72.15 C ATOM 1186 O VAL A 78 6.786 -11.695 12.468 1.00 61.33 O ATOM 1187 CB VAL A 78 6.264 -11.647 9.200 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.624 -11.362 8.559 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.146 -13.119 9.603 1.00 22.14 C ATOM 0 H VAL A 78 6.207 -9.136 9.042 1.00 50.43 H new ATOM 0 HA VAL A 78 5.008 -10.947 10.800 1.00 1.34 H new ATOM 0 HB VAL A 78 5.498 -11.438 8.453 1.00 12.41 H new ATOM 0 HG11 VAL A 78 7.775 -12.033 7.713 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.654 -10.329 8.213 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.413 -11.521 9.294 1.00 13.13 H new ATOM 0 HG21 VAL A 78 6.336 -13.750 8.735 1.00 22.14 H new ATOM 0 HG22 VAL A 78 6.876 -13.343 10.381 1.00 22.14 H new ATOM 0 HG23 VAL A 78 5.142 -13.314 9.981 1.00 22.14 H new ATOM 1199 N ARG A 79 8.205 -10.339 11.361 1.00 61.45 N ATOM 1200 CA ARG A 79 9.284 -10.470 12.333 1.00 14.22 C ATOM 1201 C ARG A 79 8.949 -9.692 13.599 1.00 51.30 C ATOM 1202 O ARG A 79 9.288 -10.111 14.704 1.00 43.03 O ATOM 1203 CB ARG A 79 10.611 -9.984 11.730 1.00 63.44 C ATOM 1204 CG ARG A 79 11.128 -10.873 10.602 1.00 63.40 C ATOM 1205 CD ARG A 79 12.416 -10.335 9.987 1.00 74.44 C ATOM 1206 NE ARG A 79 12.990 -11.275 9.023 1.00 53.13 N ATOM 1207 CZ ARG A 79 13.817 -10.933 8.035 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.129 -9.659 7.827 1.00 73.33 N ATOM 1209 NH2 ARG A 79 14.318 -11.874 7.245 1.00 64.44 N ATOM 0 H ARG A 79 8.423 -9.727 10.575 1.00 61.45 H new ATOM 0 HA ARG A 79 9.394 -11.522 12.595 1.00 14.22 H new ATOM 0 HB2 ARG A 79 10.480 -8.970 11.352 1.00 63.44 H new ATOM 0 HB3 ARG A 79 11.363 -9.936 12.518 1.00 63.44 H new ATOM 0 HG2 ARG A 79 11.303 -11.878 10.985 1.00 63.40 H new ATOM 0 HG3 ARG A 79 10.365 -10.955 9.828 1.00 63.40 H new ATOM 0 HD2 ARG A 79 12.214 -9.385 9.493 1.00 74.44 H new ATOM 0 HD3 ARG A 79 13.141 -10.136 10.777 1.00 74.44 H new ATOM 0 HE ARG A 79 12.740 -12.260 9.113 1.00 53.13 H new ATOM 0 HH11 ARG A 79 13.735 -8.933 8.426 1.00 73.33 H new ATOM 0 HH12 ARG A 79 14.763 -9.406 7.069 1.00 73.33 H new ATOM 0 HH21 ARG A 79 14.070 -12.852 7.396 1.00 64.44 H new ATOM 0 HH22 ARG A 79 14.951 -11.620 6.487 1.00 64.44 H new ATOM 1223 N GLU A 80 8.264 -8.564 13.429 1.00 45.44 N ATOM 1224 CA GLU A 80 7.796 -7.760 14.558 1.00 22.12 C ATOM 1225 C GLU A 80 6.765 -8.561 15.362 1.00 4.33 C ATOM 1226 O GLU A 80 6.675 -8.446 16.585 1.00 13.03 O ATOM 1227 CB GLU A 80 7.172 -6.453 14.045 1.00 62.53 C ATOM 1228 CG GLU A 80 6.876 -5.423 15.132 1.00 73.11 C ATOM 1229 CD GLU A 80 8.112 -4.669 15.589 1.00 33.40 C ATOM 1230 OE1 GLU A 80 8.450 -3.645 14.955 1.00 51.44 O ATOM 1231 OE2 GLU A 80 8.747 -5.088 16.577 1.00 33.42 O ATOM 0 H GLU A 80 8.019 -8.183 12.515 1.00 45.44 H new ATOM 0 HA GLU A 80 8.639 -7.514 15.204 1.00 22.12 H new ATOM 0 HB2 GLU A 80 7.845 -6.007 13.313 1.00 62.53 H new ATOM 0 HB3 GLU A 80 6.244 -6.688 13.523 1.00 62.53 H new ATOM 0 HG2 GLU A 80 6.140 -4.711 14.759 1.00 73.11 H new ATOM 0 HG3 GLU A 80 6.427 -5.926 15.988 1.00 73.11 H new ATOM 1238 N HIS A 81 5.997 -9.385 14.648 1.00 54.53 N ATOM 1239 CA HIS A 81 4.977 -10.242 15.252 1.00 0.23 C ATOM 1240 C HIS A 81 5.625 -11.418 15.982 1.00 2.25 C ATOM 1241 O HIS A 81 5.005 -12.054 16.835 1.00 34.22 O ATOM 1242 CB HIS A 81 4.030 -10.771 14.163 1.00 32.20 C ATOM 1243 CG HIS A 81 2.865 -11.571 14.679 1.00 2.42 C ATOM 1244 ND1 HIS A 81 3.000 -12.822 15.244 1.00 13.53 N ATOM 1245 CD2 HIS A 81 1.538 -11.299 14.691 1.00 0.35 C ATOM 1246 CE1 HIS A 81 1.808 -13.284 15.573 1.00 43.44 C ATOM 1247 NE2 HIS A 81 0.902 -12.382 15.250 1.00 2.53 N ATOM 0 H HIS A 81 6.065 -9.477 13.634 1.00 54.53 H new ATOM 0 HA HIS A 81 4.411 -9.651 15.973 1.00 0.23 H new ATOM 0 HB2 HIS A 81 3.648 -9.926 13.591 1.00 32.20 H new ATOM 0 HB3 HIS A 81 4.602 -11.391 13.473 1.00 32.20 H new ATOM 0 HD1 HIS A 81 3.883 -13.313 15.385 1.00 13.53 H new ATOM 0 HD2 HIS A 81 1.067 -10.398 14.328 1.00 0.35 H new ATOM 0 HE1 HIS A 81 1.608 -14.242 16.031 1.00 43.44 H new ATOM 1256 N LEU A 82 6.867 -11.715 15.624 1.00 52.02 N ATOM 1257 CA LEU A 82 7.586 -12.847 16.199 1.00 15.11 C ATOM 1258 C LEU A 82 8.392 -12.390 17.416 1.00 65.10 C ATOM 1259 O LEU A 82 8.382 -13.041 18.464 1.00 73.43 O ATOM 1260 CB LEU A 82 8.507 -13.471 15.128 1.00 12.10 C ATOM 1261 CG LEU A 82 8.886 -14.955 15.326 1.00 72.24 C ATOM 1262 CD1 LEU A 82 9.776 -15.155 16.552 1.00 41.43 C ATOM 1263 CD2 LEU A 82 7.629 -15.820 15.420 1.00 53.35 C ATOM 0 H LEU A 82 7.401 -11.186 14.935 1.00 52.02 H new ATOM 0 HA LEU A 82 6.874 -13.604 16.529 1.00 15.11 H new ATOM 0 HB2 LEU A 82 8.020 -13.370 14.158 1.00 12.10 H new ATOM 0 HB3 LEU A 82 9.426 -12.887 15.086 1.00 12.10 H new ATOM 0 HG LEU A 82 9.461 -15.268 14.454 1.00 72.24 H new ATOM 0 HD11 LEU A 82 10.020 -16.212 16.656 1.00 41.43 H new ATOM 0 HD12 LEU A 82 10.695 -14.581 16.432 1.00 41.43 H new ATOM 0 HD13 LEU A 82 9.249 -14.815 17.444 1.00 41.43 H new ATOM 0 HD21 LEU A 82 7.914 -16.863 15.559 1.00 53.35 H new ATOM 0 HD22 LEU A 82 7.025 -15.493 16.266 1.00 53.35 H new ATOM 0 HD23 LEU A 82 7.050 -15.722 14.502 1.00 53.35 H new ATOM 1275 N ASN A 83 9.055 -11.249 17.264 1.00 23.21 N ATOM 1276 CA ASN A 83 9.951 -10.713 18.287 1.00 34.30 C ATOM 1277 C ASN A 83 9.201 -10.460 19.600 1.00 64.54 C ATOM 1278 O ASN A 83 8.342 -9.578 19.680 1.00 24.35 O ATOM 1279 CB ASN A 83 10.602 -9.411 17.785 1.00 5.33 C ATOM 1280 CG ASN A 83 11.726 -8.911 18.687 1.00 13.22 C ATOM 1281 OD1 ASN A 83 11.730 -9.140 19.899 1.00 20.11 O ATOM 1282 ND2 ASN A 83 12.689 -8.214 18.099 1.00 42.20 N ATOM 0 H ASN A 83 8.988 -10.668 16.428 1.00 23.21 H new ATOM 0 HA ASN A 83 10.729 -11.451 18.481 1.00 34.30 H new ATOM 0 HB2 ASN A 83 10.996 -9.573 16.782 1.00 5.33 H new ATOM 0 HB3 ASN A 83 9.838 -8.638 17.706 1.00 5.33 H new ATOM 0 HD21 ASN A 83 13.464 -7.849 18.652 1.00 42.20 H new ATOM 0 HD22 ASN A 83 12.654 -8.043 17.094 1.00 42.20 H new ATOM 1289 N GLN A 84 9.528 -11.249 20.617 1.00 54.12 N ATOM 1290 CA GLN A 84 8.955 -11.091 21.948 1.00 32.44 C ATOM 1291 C GLN A 84 9.961 -11.545 23.005 1.00 35.52 C ATOM 1292 O GLN A 84 10.683 -12.524 22.803 1.00 62.41 O ATOM 1293 CB GLN A 84 7.624 -11.868 22.065 1.00 74.55 C ATOM 1294 CG GLN A 84 7.703 -13.350 21.676 1.00 74.02 C ATOM 1295 CD GLN A 84 8.244 -14.261 22.774 1.00 54.40 C ATOM 1296 OE1 GLN A 84 7.959 -13.934 24.027 1.00 71.43 O flip ATOM 1297 NE2 GLN A 84 8.891 -15.268 22.496 1.00 3.04 N flip ATOM 0 H GLN A 84 10.197 -12.015 20.542 1.00 54.12 H new ATOM 0 HA GLN A 84 8.734 -10.037 22.117 1.00 32.44 H new ATOM 0 HB2 GLN A 84 7.268 -11.796 23.093 1.00 74.55 H new ATOM 0 HB3 GLN A 84 6.880 -11.381 21.435 1.00 74.55 H new ATOM 0 HG2 GLN A 84 6.708 -13.693 21.394 1.00 74.02 H new ATOM 0 HG3 GLN A 84 8.336 -13.449 20.794 1.00 74.02 H new ATOM 0 HE21 GLN A 84 9.093 -15.491 21.522 1.00 3.04 H new ATOM 0 HE22 GLN A 84 9.226 -15.881 23.240 1.00 3.04 H new ATOM 1306 N HIS A 85 10.028 -10.816 24.113 1.00 50.13 N ATOM 1307 CA HIS A 85 10.908 -11.176 25.222 1.00 23.14 C ATOM 1308 C HIS A 85 10.058 -11.485 26.449 1.00 22.41 C ATOM 1309 O HIS A 85 9.812 -10.608 27.285 1.00 2.45 O ATOM 1310 CB HIS A 85 11.907 -10.042 25.502 1.00 52.30 C ATOM 1311 CG HIS A 85 12.942 -10.370 26.537 1.00 34.32 C ATOM 1312 ND1 HIS A 85 14.074 -11.113 26.267 1.00 73.50 N ATOM 1313 CD2 HIS A 85 13.025 -10.031 27.846 1.00 52.32 C ATOM 1314 CE1 HIS A 85 14.802 -11.217 27.363 1.00 52.11 C ATOM 1315 NE2 HIS A 85 14.188 -10.570 28.334 1.00 52.35 N ATOM 0 H HIS A 85 9.482 -9.969 24.269 1.00 50.13 H new ATOM 0 HA HIS A 85 11.487 -12.063 24.963 1.00 23.14 H new ATOM 0 HB2 HIS A 85 12.411 -9.780 24.572 1.00 52.30 H new ATOM 0 HB3 HIS A 85 11.355 -9.159 25.825 1.00 52.30 H new ATOM 0 HD2 HIS A 85 12.308 -9.445 28.402 1.00 52.32 H new ATOM 0 HE1 HIS A 85 15.741 -11.743 27.450 1.00 52.11 H new ATOM 0 HE2 HIS A 85 14.524 -10.484 29.293 1.00 52.35 H new ATOM 1324 N SER A 86 9.600 -12.735 26.525 1.00 2.41 N ATOM 1325 CA SER A 86 8.620 -13.169 27.521 1.00 53.33 C ATOM 1326 C SER A 86 7.261 -12.511 27.233 1.00 3.22 C ATOM 1327 O SER A 86 6.309 -13.184 26.830 1.00 51.12 O ATOM 1328 CB SER A 86 9.106 -12.867 28.949 1.00 53.13 C ATOM 1329 OG SER A 86 8.223 -13.391 29.927 1.00 2.23 O ATOM 0 H SER A 86 9.900 -13.478 25.894 1.00 2.41 H new ATOM 0 HA SER A 86 8.501 -14.250 27.450 1.00 53.33 H new ATOM 0 HB2 SER A 86 10.100 -13.291 29.092 1.00 53.13 H new ATOM 0 HB3 SER A 86 9.197 -11.789 29.082 1.00 53.13 H new ATOM 0 HG SER A 86 8.564 -13.182 30.822 1.00 2.23 H new ATOM 1335 N GLY A 87 7.191 -11.193 27.405 1.00 74.42 N ATOM 1336 CA GLY A 87 5.989 -10.451 27.072 1.00 31.33 C ATOM 1337 C GLY A 87 5.885 -10.195 25.577 1.00 32.32 C ATOM 1338 O GLY A 87 6.911 -10.098 24.895 1.00 53.13 O ATOM 0 H GLY A 87 7.953 -10.623 27.772 1.00 74.42 H new ATOM 0 HA2 GLY A 87 5.113 -11.006 27.408 1.00 31.33 H new ATOM 0 HA3 GLY A 87 5.988 -9.500 27.605 1.00 31.33 H new ATOM 1342 N PRO A 88 4.661 -10.099 25.029 1.00 70.20 N ATOM 1343 CA PRO A 88 4.451 -9.864 23.603 1.00 73.53 C ATOM 1344 C PRO A 88 4.448 -8.373 23.242 1.00 3.41 C ATOM 1345 O PRO A 88 3.535 -7.632 23.614 1.00 45.03 O ATOM 1346 CB PRO A 88 3.075 -10.493 23.366 1.00 5.34 C ATOM 1347 CG PRO A 88 2.338 -10.287 24.653 1.00 11.52 C ATOM 1348 CD PRO A 88 3.378 -10.231 25.753 1.00 42.10 C ATOM 0 HA PRO A 88 5.246 -10.284 22.987 1.00 73.53 H new ATOM 0 HB2 PRO A 88 2.559 -10.015 22.533 1.00 5.34 H new ATOM 0 HB3 PRO A 88 3.160 -11.552 23.123 1.00 5.34 H new ATOM 0 HG2 PRO A 88 1.759 -9.364 24.622 1.00 11.52 H new ATOM 0 HG3 PRO A 88 1.634 -11.100 24.829 1.00 11.52 H new ATOM 0 HD2 PRO A 88 3.208 -9.386 26.420 1.00 42.10 H new ATOM 0 HD3 PRO A 88 3.358 -11.131 26.367 1.00 42.10 H new ATOM 1356 N GLY A 89 5.485 -7.936 22.531 1.00 45.11 N ATOM 1357 CA GLY A 89 5.539 -6.575 22.015 1.00 73.43 C ATOM 1358 C GLY A 89 5.408 -6.573 20.505 1.00 22.31 C ATOM 1359 O GLY A 89 6.207 -5.956 19.795 1.00 11.13 O ATOM 0 H GLY A 89 6.298 -8.507 22.300 1.00 45.11 H new ATOM 0 HA2 GLY A 89 4.739 -5.981 22.456 1.00 73.43 H new ATOM 0 HA3 GLY A 89 6.480 -6.107 22.305 1.00 73.43 H new ATOM 1363 N ILE A 90 4.383 -7.265 20.023 1.00 5.14 N ATOM 1364 CA ILE A 90 4.241 -7.561 18.601 1.00 21.42 C ATOM 1365 C ILE A 90 3.454 -6.477 17.866 1.00 23.35 C ATOM 1366 O ILE A 90 2.898 -5.567 18.484 1.00 33.33 O ATOM 1367 CB ILE A 90 3.540 -8.929 18.395 1.00 44.04 C ATOM 1368 CG1 ILE A 90 2.095 -8.882 18.920 1.00 14.02 C ATOM 1369 CG2 ILE A 90 4.334 -10.033 19.094 1.00 43.22 C ATOM 1370 CD1 ILE A 90 1.321 -10.169 18.713 1.00 22.10 C ATOM 0 H ILE A 90 3.630 -7.636 20.603 1.00 5.14 H new ATOM 0 HA ILE A 90 5.247 -7.596 18.184 1.00 21.42 H new ATOM 0 HB ILE A 90 3.504 -9.147 17.328 1.00 44.04 H new ATOM 0 HG12 ILE A 90 2.114 -8.649 19.985 1.00 14.02 H new ATOM 0 HG13 ILE A 90 1.566 -8.068 18.424 1.00 14.02 H new ATOM 0 HG21 ILE A 90 3.835 -10.990 18.945 1.00 43.22 H new ATOM 0 HG22 ILE A 90 5.339 -10.079 18.676 1.00 43.22 H new ATOM 0 HG23 ILE A 90 4.394 -9.818 20.161 1.00 43.22 H new ATOM 0 HD11 ILE A 90 0.312 -10.055 19.110 1.00 22.10 H new ATOM 0 HD12 ILE A 90 1.269 -10.395 17.648 1.00 22.10 H new ATOM 0 HD13 ILE A 90 1.825 -10.984 19.232 1.00 22.10 H new ATOM 1382 N ASP A 91 3.417 -6.588 16.541 1.00 1.23 N ATOM 1383 CA ASP A 91 2.652 -5.672 15.695 1.00 74.51 C ATOM 1384 C ASP A 91 1.559 -6.437 14.954 1.00 2.04 C ATOM 1385 O ASP A 91 1.607 -7.670 14.863 1.00 62.54 O ATOM 1386 CB ASP A 91 3.577 -4.966 14.695 1.00 44.12 C ATOM 1387 CG ASP A 91 2.855 -3.941 13.838 1.00 15.41 C ATOM 1388 OD1 ASP A 91 2.448 -2.891 14.380 1.00 43.31 O ATOM 1389 OD2 ASP A 91 2.699 -4.171 12.621 1.00 24.45 O ATOM 0 H ASP A 91 3.914 -7.313 16.023 1.00 1.23 H new ATOM 0 HA ASP A 91 2.188 -4.916 16.328 1.00 74.51 H new ATOM 0 HB2 ASP A 91 4.382 -4.473 15.239 1.00 44.12 H new ATOM 0 HB3 ASP A 91 4.039 -5.711 14.048 1.00 44.12 H new ATOM 1394 N TYR A 92 0.581 -5.708 14.424 1.00 33.23 N ATOM 1395 CA TYR A 92 -0.555 -6.319 13.739 1.00 55.10 C ATOM 1396 C TYR A 92 -0.171 -6.753 12.324 1.00 54.42 C ATOM 1397 O TYR A 92 -0.500 -6.089 11.338 1.00 72.11 O ATOM 1398 CB TYR A 92 -1.745 -5.350 13.705 1.00 14.33 C ATOM 1399 CG TYR A 92 -2.204 -4.916 15.087 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -1.654 -3.798 15.707 1.00 74.10 C ATOM 1401 CD2 TYR A 92 -3.184 -5.628 15.770 1.00 64.52 C ATOM 1402 CE1 TYR A 92 -2.066 -3.403 16.966 1.00 61.43 C ATOM 1403 CE2 TYR A 92 -3.602 -5.238 17.030 1.00 43.34 C ATOM 1404 CZ TYR A 92 -3.041 -4.124 17.623 1.00 34.30 C ATOM 1405 OH TYR A 92 -3.457 -3.727 18.875 1.00 4.12 O ATOM 0 H TYR A 92 0.552 -4.689 14.456 1.00 33.23 H new ATOM 0 HA TYR A 92 -0.850 -7.209 14.295 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -1.470 -4.468 13.127 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -2.577 -5.825 13.185 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -0.892 -3.229 15.195 1.00 74.10 H new ATOM 0 HD2 TYR A 92 -3.626 -6.499 15.310 1.00 64.52 H new ATOM 0 HE1 TYR A 92 -1.626 -2.534 17.433 1.00 61.43 H new ATOM 0 HE2 TYR A 92 -4.364 -5.802 17.548 1.00 43.34 H new ATOM 0 HH TYR A 92 -4.149 -4.340 19.199 1.00 4.12 H new ATOM 1415 N ALA A 93 0.561 -7.857 12.248 1.00 11.13 N ATOM 1416 CA ALA A 93 0.939 -8.458 10.976 1.00 53.10 C ATOM 1417 C ALA A 93 -0.215 -9.292 10.427 1.00 2.23 C ATOM 1418 O ALA A 93 -1.366 -9.115 10.836 1.00 73.52 O ATOM 1419 CB ALA A 93 2.187 -9.318 11.161 1.00 75.12 C ATOM 0 H ALA A 93 0.909 -8.360 13.065 1.00 11.13 H new ATOM 0 HA ALA A 93 1.163 -7.669 10.258 1.00 53.10 H new ATOM 0 HB1 ALA A 93 2.465 -9.765 10.207 1.00 75.12 H new ATOM 0 HB2 ALA A 93 3.006 -8.697 11.524 1.00 75.12 H new ATOM 0 HB3 ALA A 93 1.981 -10.107 11.885 1.00 75.12 H new ATOM 1425 N VAL A 94 0.089 -10.182 9.488 1.00 65.13 N ATOM 1426 CA VAL A 94 -0.902 -11.119 8.978 1.00 73.34 C ATOM 1427 C VAL A 94 -1.418 -11.996 10.124 1.00 64.21 C ATOM 1428 O VAL A 94 -0.634 -12.473 10.951 1.00 24.50 O ATOM 1429 CB VAL A 94 -0.320 -11.995 7.833 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.847 -12.855 8.326 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -1.412 -12.861 7.204 1.00 41.25 C ATOM 0 H VAL A 94 1.013 -10.273 9.066 1.00 65.13 H new ATOM 0 HA VAL A 94 -1.732 -10.550 8.560 1.00 73.34 H new ATOM 0 HB VAL A 94 0.067 -11.325 7.065 1.00 52.51 H new ATOM 0 HG11 VAL A 94 1.231 -13.455 7.501 1.00 75.41 H new ATOM 0 HG12 VAL A 94 1.640 -12.210 8.705 1.00 75.41 H new ATOM 0 HG13 VAL A 94 0.502 -13.513 9.124 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -0.982 -13.465 6.405 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -1.840 -13.515 7.964 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.193 -12.221 6.794 1.00 41.25 H new ATOM 1441 N ARG A 95 -2.731 -12.172 10.188 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.359 -12.890 11.291 1.00 53.51 C ATOM 1443 C ARG A 95 -3.130 -14.394 11.147 1.00 63.34 C ATOM 1444 O ARG A 95 -2.364 -14.962 11.957 1.00 22.32 O ATOM 1445 CB ARG A 95 -4.861 -12.569 11.341 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.157 -11.073 11.434 1.00 23.40 C ATOM 1447 CD ARG A 95 -6.646 -10.770 11.281 1.00 44.34 C ATOM 1448 NE ARG A 95 -6.911 -9.328 11.321 1.00 74.54 N ATOM 1449 CZ ARG A 95 -7.501 -8.640 10.336 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -7.906 -9.252 9.228 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -7.694 -7.336 10.462 1.00 42.22 N ATOM 1452 OXT ARG A 95 -3.687 -14.990 10.205 1.00 0.00 O ATOM 0 H ARG A 95 -3.385 -11.826 9.486 1.00 64.15 H new ATOM 0 HA ARG A 95 -2.905 -12.566 12.227 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.341 -12.973 10.450 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -5.305 -13.074 12.199 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -4.807 -10.694 12.394 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -4.599 -10.545 10.661 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -7.006 -11.181 10.338 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -7.202 -11.265 12.077 1.00 44.34 H new ATOM 0 HE ARG A 95 -6.627 -8.815 12.155 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -7.769 -10.257 9.121 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -8.354 -8.717 8.484 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -7.393 -6.855 11.310 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -8.144 -6.812 9.711 1.00 42.22 H new TER 1466 ARG A 95