USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1097 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 LYS NZ :NH3+ -112:sc= -2.13 (180deg=-1.06) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.42 K(o=-3.6,f=-7.3!) USER MOD Set 2.1: A 59 MET CE :methyl -125:sc= -12.1! (180deg=-5.85!) USER MOD Set 2.2: A 88 MET CE :methyl -137:sc= -12! (180deg=-10.4!) USER MOD Set 2.3: B 72 THR OG1 : rot 81:sc= -4.68! USER MOD Set 3.1: A 51 THR OG1 : rot 120:sc= -1.29 USER MOD Set 3.2: A 97 MET CE :methyl -110:sc= -8.91! (180deg=-10!) USER MOD Set 4.1: A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 13 SER OG : rot 39:sc= 1.09 USER MOD Set 5.2: A 32 THR OG1 : rot -163:sc= 1.3 USER MOD Single : A 2 SER OG : rot 180:sc= -0.341 USER MOD Single : A 3 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-5.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -46:sc= -1.22! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.000581 X(o=-0.00058,f=-0.028) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 43 SER OG : rot 41:sc= 0.0307 USER MOD Single : A 44 THR OG1 : rot 41:sc= -0.0276 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -6.16! C(o=-6.2!,f=-14!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -154:sc= -1.36 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= -1.62 (180deg=-1.65) USER MOD Single : A 58 MET CE :methyl -159:sc= -1.43 (180deg=-2.39!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= -1.17 (180deg=-2.63!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-0.00527 X(o=-0.0053,f=0) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -9.07! C(o=-13!,f=-9.1!) USER MOD Single : A 90 SER OG : rot 180:sc= -1.05 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 102 MET CE :methyl 155:sc= -0.0271 (180deg=-0.771) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 109 SER OG : rot 180:sc= -0.648 USER MOD Single : A 111 TYR OH : rot -106:sc= 1.31 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 THR OG1 : rot 110:sc= -0.096 USER MOD Single : B 81 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.71) USER MOD Single : B 83 SER OG : rot 40:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.422 -18.550 4.502 1.00 0.00 N ATOM 2 CA PRO A 1 0.028 -18.359 4.951 1.00 0.00 C ATOM 3 C PRO A 1 -0.227 -16.935 5.442 1.00 0.00 C ATOM 4 O PRO A 1 -0.975 -16.720 6.396 1.00 0.00 O ATOM 5 CB PRO A 1 -0.187 -19.352 6.083 1.00 0.00 C ATOM 6 CG PRO A 1 1.201 -19.720 6.526 1.00 0.00 C ATOM 7 CD PRO A 1 2.173 -18.881 5.712 1.00 0.00 C ATOM 0 H2 PRO A 1 1.786 -17.705 4.062 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.487 -19.298 3.812 1.00 0.00 H new ATOM 0 HA PRO A 1 -0.663 -18.522 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.759 -18.908 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.741 -20.227 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.328 -19.529 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.385 -20.783 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.476 -17.984 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.082 -19.436 5.479 1.00 0.00 H new ATOM 17 N SER A 2 0.398 -15.970 4.785 1.00 0.00 N ATOM 18 CA SER A 2 0.242 -14.567 5.149 1.00 0.00 C ATOM 19 C SER A 2 0.526 -13.660 3.957 1.00 0.00 C ATOM 20 O SER A 2 -0.228 -12.727 3.680 1.00 0.00 O ATOM 21 CB SER A 2 1.176 -14.213 6.308 1.00 0.00 C ATOM 22 OG SER A 2 1.145 -15.212 7.312 1.00 0.00 O ATOM 0 H SER A 2 1.021 -16.132 3.994 1.00 0.00 H new ATOM 0 HA SER A 2 -0.790 -14.412 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.194 -14.098 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.883 -13.254 6.736 1.00 0.00 H new ATOM 0 HG SER A 2 1.751 -14.963 8.040 1.00 0.00 H new ATOM 28 N HIS A 3 1.618 -13.940 3.253 1.00 0.00 N ATOM 29 CA HIS A 3 2.001 -13.149 2.089 1.00 0.00 C ATOM 30 C HIS A 3 0.926 -13.205 1.018 1.00 0.00 C ATOM 31 O HIS A 3 0.610 -12.197 0.386 1.00 0.00 O ATOM 32 CB HIS A 3 3.332 -13.647 1.522 1.00 0.00 C ATOM 33 CG HIS A 3 4.438 -13.677 2.531 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.615 -14.713 3.423 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.431 -12.791 2.785 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.667 -14.463 4.183 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.179 -13.304 3.815 1.00 0.00 N ATOM 0 H HIS A 3 2.253 -14.709 3.468 1.00 0.00 H new ATOM 0 HA HIS A 3 2.116 -12.113 2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.193 -14.650 1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.626 -13.006 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.602 -11.856 2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.043 -15.099 4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.999 -12.861 4.229 1.00 0.00 H new ATOM 46 N SER A 4 0.363 -14.384 0.827 1.00 0.00 N ATOM 47 CA SER A 4 -0.686 -14.569 -0.165 1.00 0.00 C ATOM 48 C SER A 4 -2.049 -14.261 0.434 1.00 0.00 C ATOM 49 O SER A 4 -2.390 -14.729 1.520 1.00 0.00 O ATOM 50 CB SER A 4 -0.677 -15.989 -0.729 1.00 0.00 C ATOM 51 OG SER A 4 0.633 -16.387 -1.095 1.00 0.00 O ATOM 0 H SER A 4 0.612 -15.228 1.343 1.00 0.00 H new ATOM 0 HA SER A 4 -0.489 -13.875 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.076 -16.680 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.332 -16.042 -1.598 1.00 0.00 H new ATOM 0 HG SER A 4 0.610 -17.300 -1.451 1.00 0.00 H new ATOM 57 N GLY A 5 -2.817 -13.468 -0.289 1.00 0.00 N ATOM 58 CA GLY A 5 -4.139 -13.088 0.156 1.00 0.00 C ATOM 59 C GLY A 5 -4.962 -12.555 -0.989 1.00 0.00 C ATOM 60 O GLY A 5 -4.485 -12.503 -2.120 1.00 0.00 O ATOM 0 H GLY A 5 -2.544 -13.075 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.639 -13.950 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.060 -12.330 0.936 1.00 0.00 H new ATOM 64 N ALA A 6 -6.193 -12.159 -0.716 1.00 0.00 N ATOM 65 CA ALA A 6 -7.050 -11.630 -1.763 1.00 0.00 C ATOM 66 C ALA A 6 -7.151 -10.116 -1.675 1.00 0.00 C ATOM 67 O ALA A 6 -7.238 -9.546 -0.587 1.00 0.00 O ATOM 68 CB ALA A 6 -8.427 -12.265 -1.705 1.00 0.00 C ATOM 0 H ALA A 6 -6.618 -12.193 0.211 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.599 -11.881 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.051 -11.853 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.336 -13.343 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.884 -12.055 -0.738 1.00 0.00 H new ATOM 74 N ALA A 7 -7.137 -9.473 -2.833 1.00 0.00 N ATOM 75 CA ALA A 7 -7.223 -8.023 -2.907 1.00 0.00 C ATOM 76 C ALA A 7 -7.957 -7.590 -4.160 1.00 0.00 C ATOM 77 O ALA A 7 -8.010 -8.327 -5.145 1.00 0.00 O ATOM 78 CB ALA A 7 -5.834 -7.405 -2.861 1.00 0.00 C ATOM 0 H ALA A 7 -7.066 -9.936 -3.739 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.788 -7.670 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.917 -6.320 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.343 -7.684 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.246 -7.768 -3.704 1.00 0.00 H new ATOM 84 N ILE A 8 -8.530 -6.397 -4.124 1.00 0.00 N ATOM 85 CA ILE A 8 -9.263 -5.888 -5.268 1.00 0.00 C ATOM 86 C ILE A 8 -8.867 -4.456 -5.600 1.00 0.00 C ATOM 87 O ILE A 8 -8.606 -3.644 -4.713 1.00 0.00 O ATOM 88 CB ILE A 8 -10.779 -5.953 -5.032 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.211 -7.392 -4.790 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.518 -5.376 -6.228 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.367 -7.516 -3.823 1.00 0.00 C ATOM 0 H ILE A 8 -8.501 -5.769 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.004 -6.527 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.024 -5.362 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.492 -7.844 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.363 -7.959 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.592 -5.427 -6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.222 -4.337 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.270 -5.950 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.624 -8.568 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.082 -7.093 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.229 -6.977 -4.216 1.00 0.00 H new ATOM 103 N PHE A 9 -8.836 -4.161 -6.892 1.00 0.00 N ATOM 104 CA PHE A 9 -8.484 -2.832 -7.370 1.00 0.00 C ATOM 105 C PHE A 9 -9.245 -2.510 -8.653 1.00 0.00 C ATOM 106 O PHE A 9 -9.483 -3.390 -9.480 1.00 0.00 O ATOM 107 CB PHE A 9 -6.977 -2.738 -7.605 1.00 0.00 C ATOM 108 CG PHE A 9 -6.539 -1.399 -8.116 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.668 -1.086 -9.456 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.001 -0.454 -7.256 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.268 0.147 -9.935 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.599 0.781 -7.727 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.733 1.082 -9.070 1.00 0.00 C ATOM 0 H PHE A 9 -9.052 -4.829 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.764 -2.102 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.457 -2.951 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.679 -3.507 -8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.086 -1.813 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.895 -0.686 -6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.374 0.379 -10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.181 1.510 -7.048 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.420 2.046 -9.442 1.00 0.00 H new ATOM 123 N GLU A 10 -9.635 -1.247 -8.810 1.00 0.00 N ATOM 124 CA GLU A 10 -10.382 -0.812 -9.985 1.00 0.00 C ATOM 125 C GLU A 10 -11.554 -1.745 -10.267 1.00 0.00 C ATOM 126 O GLU A 10 -11.921 -1.972 -11.420 1.00 0.00 O ATOM 127 CB GLU A 10 -9.471 -0.725 -11.208 1.00 0.00 C ATOM 128 CG GLU A 10 -9.020 0.691 -11.506 1.00 0.00 C ATOM 129 CD GLU A 10 -8.110 0.774 -12.716 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.382 -0.207 -12.980 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.125 1.819 -13.400 1.00 0.00 O ATOM 0 H GLU A 10 -9.445 -0.506 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.778 0.182 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.595 -1.354 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.996 -1.124 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.895 1.319 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.499 1.092 -10.637 1.00 0.00 H new ATOM 138 N LYS A 11 -12.145 -2.271 -9.201 1.00 0.00 N ATOM 139 CA LYS A 11 -13.287 -3.171 -9.318 1.00 0.00 C ATOM 140 C LYS A 11 -12.881 -4.524 -9.900 1.00 0.00 C ATOM 141 O LYS A 11 -13.732 -5.292 -10.347 1.00 0.00 O ATOM 142 CB LYS A 11 -14.383 -2.539 -10.186 1.00 0.00 C ATOM 143 CG LYS A 11 -14.422 -1.018 -10.119 1.00 0.00 C ATOM 144 CD LYS A 11 -15.797 -0.479 -10.478 1.00 0.00 C ATOM 145 CE LYS A 11 -16.188 -0.851 -11.899 1.00 0.00 C ATOM 146 NZ LYS A 11 -17.247 0.047 -12.437 1.00 0.00 N ATOM 0 H LYS A 11 -11.851 -2.089 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.675 -3.337 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.233 -2.844 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.351 -2.932 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.152 -0.690 -9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.679 -0.604 -10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.537 -0.873 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.803 0.606 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.309 -0.802 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.541 -1.882 -11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.485 -0.240 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.095 -0.019 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.901 1.028 -12.441 1.00 0.00 H new ATOM 160 N VAL A 12 -11.584 -4.824 -9.877 1.00 0.00 N ATOM 161 CA VAL A 12 -11.094 -6.096 -10.387 1.00 0.00 C ATOM 162 C VAL A 12 -10.490 -6.907 -9.254 1.00 0.00 C ATOM 163 O VAL A 12 -9.558 -6.455 -8.592 1.00 0.00 O ATOM 164 CB VAL A 12 -10.036 -5.902 -11.491 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.689 -7.236 -12.137 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.528 -4.909 -12.532 1.00 0.00 C ATOM 0 H VAL A 12 -10.860 -4.205 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.943 -6.625 -10.819 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.131 -5.498 -11.037 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.941 -7.080 -12.914 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.292 -7.914 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.586 -7.671 -12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.768 -4.784 -13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.447 -5.282 -12.984 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.722 -3.948 -12.055 1.00 0.00 H new ATOM 176 N SER A 13 -11.034 -8.094 -9.015 1.00 0.00 N ATOM 177 CA SER A 13 -10.542 -8.939 -7.937 1.00 0.00 C ATOM 178 C SER A 13 -9.426 -9.859 -8.405 1.00 0.00 C ATOM 179 O SER A 13 -9.378 -10.272 -9.563 1.00 0.00 O ATOM 180 CB SER A 13 -11.674 -9.763 -7.328 1.00 0.00 C ATOM 181 OG SER A 13 -12.263 -10.617 -8.293 1.00 0.00 O ATOM 0 H SER A 13 -11.809 -8.489 -9.548 1.00 0.00 H new ATOM 0 HA SER A 13 -10.136 -8.276 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.289 -10.357 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.432 -9.096 -6.917 1.00 0.00 H new ATOM 0 HG SER A 13 -11.565 -10.985 -8.874 1.00 0.00 H new ATOM 187 N GLY A 14 -8.524 -10.154 -7.479 1.00 0.00 N ATOM 188 CA GLY A 14 -7.387 -11.003 -7.763 1.00 0.00 C ATOM 189 C GLY A 14 -6.716 -11.467 -6.489 1.00 0.00 C ATOM 190 O GLY A 14 -7.174 -11.145 -5.393 1.00 0.00 O ATOM 0 H GLY A 14 -8.563 -9.812 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.712 -11.868 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.669 -10.460 -8.378 1.00 0.00 H new ATOM 194 N ILE A 15 -5.629 -12.215 -6.620 1.00 0.00 N ATOM 195 CA ILE A 15 -4.912 -12.699 -5.451 1.00 0.00 C ATOM 196 C ILE A 15 -3.610 -11.933 -5.304 1.00 0.00 C ATOM 197 O ILE A 15 -2.864 -11.753 -6.266 1.00 0.00 O ATOM 198 CB ILE A 15 -4.606 -14.211 -5.527 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.746 -14.957 -6.224 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.376 -14.775 -4.128 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.523 -15.150 -7.709 1.00 0.00 C ATOM 0 H ILE A 15 -5.228 -12.497 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.556 -12.537 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.697 -14.351 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.872 -15.932 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.675 -14.408 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.161 -15.841 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.532 -14.264 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.270 -14.623 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.370 -15.686 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.427 -14.178 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.611 -15.726 -7.868 1.00 0.00 H new ATOM 213 N ILE A 16 -3.370 -11.454 -4.095 1.00 0.00 N ATOM 214 CA ILE A 16 -2.192 -10.662 -3.795 1.00 0.00 C ATOM 215 C ILE A 16 -1.169 -11.482 -3.008 1.00 0.00 C ATOM 216 O ILE A 16 -1.491 -12.041 -1.961 1.00 0.00 O ATOM 217 CB ILE A 16 -2.598 -9.419 -2.975 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.383 -8.566 -2.618 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.354 -9.827 -1.718 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.751 -7.145 -2.254 1.00 0.00 C ATOM 0 H ILE A 16 -3.986 -11.604 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.737 -10.352 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.259 -8.814 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.855 -9.025 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.693 -8.553 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.631 -8.936 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.254 -10.374 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.719 -10.463 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.847 -6.586 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.253 -6.672 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.418 -7.151 -1.392 1.00 0.00 H new ATOM 232 N ALA A 17 0.062 -11.572 -3.516 1.00 0.00 N ATOM 233 CA ALA A 17 1.094 -12.349 -2.834 1.00 0.00 C ATOM 234 C ALA A 17 2.439 -11.631 -2.832 1.00 0.00 C ATOM 235 O ALA A 17 2.827 -11.021 -3.826 1.00 0.00 O ATOM 236 CB ALA A 17 1.231 -13.718 -3.482 1.00 0.00 C ATOM 0 H ALA A 17 0.363 -11.125 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 17 0.785 -12.469 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.003 -14.289 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.281 -14.249 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.507 -13.599 -4.530 1.00 0.00 H new ATOM 242 N ILE A 18 3.149 -11.721 -1.707 1.00 0.00 N ATOM 243 CA ILE A 18 4.459 -11.090 -1.570 1.00 0.00 C ATOM 244 C ILE A 18 5.573 -12.063 -1.945 1.00 0.00 C ATOM 245 O ILE A 18 5.481 -13.262 -1.686 1.00 0.00 O ATOM 246 CB ILE A 18 4.701 -10.585 -0.135 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.539 -9.705 0.324 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.013 -9.819 -0.055 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.334 -9.716 1.822 1.00 0.00 C ATOM 0 H ILE A 18 2.837 -12.226 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 18 4.470 -10.238 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 18 4.764 -11.447 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.717 -8.681 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.624 -10.041 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.168 -9.469 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.835 -10.474 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.977 -8.964 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.494 -9.071 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.125 -10.733 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.235 -9.352 2.315 1.00 0.00 H new ATOM 261 N ASN A 19 6.622 -11.532 -2.560 1.00 0.00 N ATOM 262 CA ASN A 19 7.763 -12.336 -2.982 1.00 0.00 C ATOM 263 C ASN A 19 9.053 -11.803 -2.386 1.00 0.00 C ATOM 264 O ASN A 19 9.522 -10.725 -2.756 1.00 0.00 O ATOM 265 CB ASN A 19 7.863 -12.350 -4.509 1.00 0.00 C ATOM 266 CG ASN A 19 6.742 -13.141 -5.154 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.604 -14.343 -4.927 1.00 0.00 O ATOM 268 ND2 ASN A 19 5.934 -12.469 -5.966 1.00 0.00 N ATOM 0 H ASN A 19 6.707 -10.539 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 19 7.612 -13.354 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.842 -11.326 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.822 -12.777 -4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.163 -12.949 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.085 -11.473 -6.126 1.00 0.00 H new ATOM 275 N GLU A 20 9.630 -12.578 -1.474 1.00 0.00 N ATOM 276 CA GLU A 20 10.880 -12.204 -0.834 1.00 0.00 C ATOM 277 C GLU A 20 12.013 -13.064 -1.367 1.00 0.00 C ATOM 278 O GLU A 20 13.006 -13.312 -0.683 1.00 0.00 O ATOM 279 CB GLU A 20 10.775 -12.345 0.686 1.00 0.00 C ATOM 280 CG GLU A 20 9.504 -11.745 1.266 1.00 0.00 C ATOM 281 CD GLU A 20 9.769 -10.504 2.095 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.843 -9.892 1.921 1.00 0.00 O ATOM 283 OE2 GLU A 20 8.902 -10.144 2.920 1.00 0.00 O ATOM 0 H GLU A 20 9.248 -13.471 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 20 11.089 -11.159 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.821 -13.402 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.637 -11.864 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.821 -11.496 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.004 -12.491 1.885 1.00 0.00 H new ATOM 290 N ASP A 21 11.848 -13.508 -2.604 1.00 0.00 N ATOM 291 CA ASP A 21 12.844 -14.338 -3.266 1.00 0.00 C ATOM 292 C ASP A 21 13.709 -13.494 -4.194 1.00 0.00 C ATOM 293 O ASP A 21 14.859 -13.834 -4.468 1.00 0.00 O ATOM 294 CB ASP A 21 12.164 -15.457 -4.058 1.00 0.00 C ATOM 295 CG ASP A 21 13.158 -16.453 -4.622 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.015 -16.042 -5.433 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.081 -17.643 -4.253 1.00 0.00 O ATOM 0 H ASP A 21 11.027 -13.305 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 21 13.481 -14.784 -2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.458 -15.979 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.587 -15.022 -4.874 1.00 0.00 H new ATOM 302 N VAL A 22 13.148 -12.384 -4.666 1.00 0.00 N ATOM 303 CA VAL A 22 13.876 -11.483 -5.556 1.00 0.00 C ATOM 304 C VAL A 22 14.468 -10.317 -4.770 1.00 0.00 C ATOM 305 O VAL A 22 14.109 -10.096 -3.613 1.00 0.00 O ATOM 306 CB VAL A 22 12.982 -10.926 -6.692 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.353 -11.562 -8.023 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.503 -11.137 -6.394 1.00 0.00 C ATOM 0 H VAL A 22 12.197 -12.087 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 22 14.674 -12.071 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 22 13.158 -9.852 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.715 -11.159 -8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.395 -11.342 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.215 -12.641 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.906 -10.734 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.302 -12.203 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.242 -10.625 -5.468 1.00 0.00 H new ATOM 318 N SER A 23 15.377 -9.572 -5.397 1.00 0.00 N ATOM 319 CA SER A 23 16.010 -8.432 -4.739 1.00 0.00 C ATOM 320 C SER A 23 14.959 -7.534 -4.088 1.00 0.00 C ATOM 321 O SER A 23 14.889 -7.445 -2.862 1.00 0.00 O ATOM 322 CB SER A 23 16.853 -7.632 -5.731 1.00 0.00 C ATOM 323 OG SER A 23 18.220 -7.995 -5.649 1.00 0.00 O ATOM 0 H SER A 23 15.690 -9.736 -6.354 1.00 0.00 H new ATOM 0 HA SER A 23 16.669 -8.815 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.488 -7.803 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.744 -6.566 -5.529 1.00 0.00 H new ATOM 0 HG SER A 23 18.737 -7.470 -6.295 1.00 0.00 H new ATOM 329 N PRO A 24 14.109 -6.869 -4.893 1.00 0.00 N ATOM 330 CA PRO A 24 13.057 -6.008 -4.367 1.00 0.00 C ATOM 331 C PRO A 24 11.856 -6.819 -3.918 1.00 0.00 C ATOM 332 O PRO A 24 10.922 -7.034 -4.690 1.00 0.00 O ATOM 333 CB PRO A 24 12.681 -5.142 -5.562 1.00 0.00 C ATOM 334 CG PRO A 24 12.931 -6.018 -6.742 1.00 0.00 C ATOM 335 CD PRO A 24 14.085 -6.919 -6.369 1.00 0.00 C ATOM 0 HA PRO A 24 13.382 -5.438 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.639 -4.827 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.286 -4.236 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.044 -6.603 -6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.172 -5.423 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.933 -7.935 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.023 -6.565 -6.796 1.00 0.00 H new ATOM 343 N ALA A 25 11.886 -7.271 -2.671 1.00 0.00 N ATOM 344 CA ALA A 25 10.787 -8.064 -2.126 1.00 0.00 C ATOM 345 C ALA A 25 9.470 -7.390 -2.439 1.00 0.00 C ATOM 346 O ALA A 25 9.049 -6.482 -1.735 1.00 0.00 O ATOM 347 CB ALA A 25 10.938 -8.258 -0.632 1.00 0.00 C ATOM 0 H ALA A 25 12.653 -7.105 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 25 10.809 -9.049 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.105 -8.852 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.875 -8.775 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.943 -7.287 -0.138 1.00 0.00 H new ATOM 353 N GLU A 26 8.855 -7.825 -3.522 1.00 0.00 N ATOM 354 CA GLU A 26 7.602 -7.244 -3.987 1.00 0.00 C ATOM 355 C GLU A 26 6.469 -8.259 -3.988 1.00 0.00 C ATOM 356 O GLU A 26 6.694 -9.450 -3.803 1.00 0.00 O ATOM 357 CB GLU A 26 7.799 -6.670 -5.384 1.00 0.00 C ATOM 358 CG GLU A 26 8.410 -7.654 -6.368 1.00 0.00 C ATOM 359 CD GLU A 26 7.925 -7.437 -7.787 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.439 -6.325 -8.085 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.031 -8.377 -8.602 1.00 0.00 O ATOM 0 H GLU A 26 9.204 -8.586 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 26 7.320 -6.449 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.836 -6.336 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.439 -5.790 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.496 -7.562 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.168 -8.670 -6.057 1.00 0.00 H new ATOM 368 N LEU A 27 5.245 -7.776 -4.197 1.00 0.00 N ATOM 369 CA LEU A 27 4.082 -8.637 -4.216 1.00 0.00 C ATOM 370 C LEU A 27 3.338 -8.501 -5.531 1.00 0.00 C ATOM 371 O LEU A 27 3.299 -7.424 -6.124 1.00 0.00 O ATOM 372 CB LEU A 27 3.149 -8.299 -3.050 1.00 0.00 C ATOM 373 CG LEU A 27 2.574 -6.881 -3.069 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.401 -6.789 -4.034 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.148 -6.462 -1.670 1.00 0.00 C ATOM 0 H LEU A 27 5.041 -6.789 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 27 4.419 -9.668 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.322 -9.010 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.693 -8.441 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 27 3.352 -6.200 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.007 -5.773 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.735 -7.047 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.619 -7.482 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.741 -5.451 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.386 -7.149 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.011 -6.486 -1.005 1.00 0.00 H new ATOM 387 N THR A 28 2.755 -9.598 -5.992 1.00 0.00 N ATOM 388 CA THR A 28 2.030 -9.593 -7.234 1.00 0.00 C ATOM 389 C THR A 28 0.546 -9.786 -7.021 1.00 0.00 C ATOM 390 O THR A 28 0.114 -10.452 -6.080 1.00 0.00 O ATOM 391 CB THR A 28 2.545 -10.673 -8.148 1.00 0.00 C ATOM 392 OG1 THR A 28 2.739 -11.890 -7.449 1.00 0.00 O ATOM 393 CG2 THR A 28 3.834 -10.308 -8.817 1.00 0.00 C ATOM 0 H THR A 28 2.776 -10.500 -5.516 1.00 0.00 H new ATOM 0 HA THR A 28 2.186 -8.616 -7.692 1.00 0.00 H new ATOM 0 HB THR A 28 1.778 -10.792 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.072 -12.573 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.154 -11.126 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.691 -9.408 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.597 -10.123 -8.061 1.00 0.00 H new ATOM 401 N TRP A 29 -0.226 -9.194 -7.911 1.00 0.00 N ATOM 402 CA TRP A 29 -1.673 -9.289 -7.843 1.00 0.00 C ATOM 403 C TRP A 29 -2.252 -9.858 -9.134 1.00 0.00 C ATOM 404 O TRP A 29 -2.258 -9.194 -10.162 1.00 0.00 O ATOM 405 CB TRP A 29 -2.272 -7.915 -7.575 1.00 0.00 C ATOM 406 CG TRP A 29 -3.742 -7.968 -7.353 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.378 -8.247 -6.183 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.764 -7.749 -8.329 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.734 -8.214 -6.366 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.998 -7.908 -7.674 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.756 -7.431 -9.690 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.212 -7.762 -8.332 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.967 -7.286 -10.344 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.180 -7.451 -9.663 1.00 0.00 C ATOM 0 H TRP A 29 0.125 -8.640 -8.692 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.927 -9.965 -7.027 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.791 -7.477 -6.700 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.059 -7.258 -8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.885 -8.463 -5.247 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.434 -8.389 -5.645 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.824 -7.301 -10.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.149 -7.890 -7.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.977 -7.042 -11.396 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.109 -7.330 -10.200 1.00 0.00 H new ATOM 425 N ARG A 30 -2.749 -11.087 -9.075 1.00 0.00 N ATOM 426 CA ARG A 30 -3.332 -11.725 -10.252 1.00 0.00 C ATOM 427 C ARG A 30 -4.848 -11.823 -10.121 1.00 0.00 C ATOM 428 O ARG A 30 -5.358 -12.426 -9.177 1.00 0.00 O ATOM 429 CB ARG A 30 -2.735 -13.120 -10.459 1.00 0.00 C ATOM 430 CG ARG A 30 -1.290 -13.247 -10.000 1.00 0.00 C ATOM 431 CD ARG A 30 -1.197 -13.863 -8.613 1.00 0.00 C ATOM 432 NE ARG A 30 0.085 -14.528 -8.394 1.00 0.00 N ATOM 433 CZ ARG A 30 0.471 -15.624 -9.042 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.321 -16.181 -9.950 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.654 -16.165 -8.783 1.00 0.00 N ATOM 0 H ARG A 30 -2.761 -11.660 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.097 -11.108 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.342 -13.848 -9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.794 -13.376 -11.517 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.735 -13.860 -10.709 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.821 -12.263 -9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.335 -13.086 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.006 -14.582 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 30 0.721 -14.129 -7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.231 -15.769 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.019 -17.021 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.267 -15.741 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.950 -17.005 -9.280 1.00 0.00 H new ATOM 449 N SER A 31 -5.568 -11.227 -11.070 1.00 0.00 N ATOM 450 CA SER A 31 -7.027 -11.253 -11.047 1.00 0.00 C ATOM 451 C SER A 31 -7.552 -12.674 -10.866 1.00 0.00 C ATOM 452 O SER A 31 -6.925 -13.638 -11.305 1.00 0.00 O ATOM 453 CB SER A 31 -7.595 -10.655 -12.334 1.00 0.00 C ATOM 454 OG SER A 31 -6.824 -11.037 -13.459 1.00 0.00 O ATOM 0 H SER A 31 -5.166 -10.723 -11.860 1.00 0.00 H new ATOM 0 HA SER A 31 -7.353 -10.653 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.626 -10.984 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.615 -9.568 -12.255 1.00 0.00 H new ATOM 0 HG SER A 31 -5.872 -10.924 -13.257 1.00 0.00 H new ATOM 460 N THR A 32 -8.706 -12.796 -10.220 1.00 0.00 N ATOM 461 CA THR A 32 -9.314 -14.100 -9.987 1.00 0.00 C ATOM 462 C THR A 32 -9.677 -14.768 -11.307 1.00 0.00 C ATOM 463 O THR A 32 -9.717 -15.995 -11.405 1.00 0.00 O ATOM 464 CB THR A 32 -10.559 -13.965 -9.104 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.913 -12.603 -8.933 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.383 -14.571 -7.727 1.00 0.00 C ATOM 0 H THR A 32 -9.238 -12.009 -9.849 1.00 0.00 H new ATOM 0 HA THR A 32 -8.586 -14.725 -9.470 1.00 0.00 H new ATOM 0 HB THR A 32 -11.344 -14.511 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.522 -12.517 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.300 -14.442 -7.153 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.162 -15.634 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.560 -14.074 -7.213 1.00 0.00 H new ATOM 474 N ASP A 33 -9.937 -13.952 -12.319 1.00 0.00 N ATOM 475 CA ASP A 33 -10.294 -14.457 -13.636 1.00 0.00 C ATOM 476 C ASP A 33 -9.067 -14.998 -14.360 1.00 0.00 C ATOM 477 O ASP A 33 -9.170 -15.893 -15.198 1.00 0.00 O ATOM 478 CB ASP A 33 -10.951 -13.356 -14.469 1.00 0.00 C ATOM 479 CG ASP A 33 -11.429 -13.859 -15.818 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.605 -13.919 -16.754 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.627 -14.192 -15.936 1.00 0.00 O ATOM 0 H ASP A 33 -9.907 -12.935 -12.252 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.005 -15.273 -13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.796 -12.943 -13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.240 -12.544 -14.618 1.00 0.00 H new ATOM 486 N GLY A 34 -7.908 -14.445 -14.029 1.00 0.00 N ATOM 487 CA GLY A 34 -6.672 -14.876 -14.652 1.00 0.00 C ATOM 488 C GLY A 34 -6.426 -14.183 -15.976 1.00 0.00 C ATOM 489 O GLY A 34 -5.773 -14.734 -16.862 1.00 0.00 O ATOM 0 H GLY A 34 -7.802 -13.703 -13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.839 -14.675 -13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.703 -15.954 -14.809 1.00 0.00 H new ATOM 493 N ASP A 35 -6.955 -12.971 -16.113 1.00 0.00 N ATOM 494 CA ASP A 35 -6.796 -12.204 -17.334 1.00 0.00 C ATOM 495 C ASP A 35 -5.848 -11.027 -17.134 1.00 0.00 C ATOM 496 O ASP A 35 -5.221 -10.555 -18.082 1.00 0.00 O ATOM 497 CB ASP A 35 -8.154 -11.705 -17.830 1.00 0.00 C ATOM 498 CG ASP A 35 -8.194 -11.541 -19.337 1.00 0.00 C ATOM 499 OD1 ASP A 35 -7.517 -10.628 -19.853 1.00 0.00 O ATOM 500 OD2 ASP A 35 -8.904 -12.326 -20.000 1.00 0.00 O ATOM 0 H ASP A 35 -7.498 -12.502 -15.388 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.361 -12.864 -18.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.930 -12.406 -17.523 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.382 -10.750 -17.357 1.00 0.00 H new ATOM 505 N LYS A 36 -5.750 -10.555 -15.898 1.00 0.00 N ATOM 506 CA LYS A 36 -4.880 -9.429 -15.580 1.00 0.00 C ATOM 507 C LYS A 36 -4.038 -9.705 -14.343 1.00 0.00 C ATOM 508 O LYS A 36 -4.405 -10.511 -13.489 1.00 0.00 O ATOM 509 CB LYS A 36 -5.706 -8.161 -15.370 1.00 0.00 C ATOM 510 CG LYS A 36 -6.677 -8.250 -14.207 1.00 0.00 C ATOM 511 CD LYS A 36 -8.021 -8.812 -14.644 1.00 0.00 C ATOM 512 CE LYS A 36 -8.691 -7.917 -15.673 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.160 -8.152 -15.742 1.00 0.00 N ATOM 0 H LYS A 36 -6.261 -10.933 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.206 -9.286 -16.425 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.031 -7.322 -15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.264 -7.946 -16.282 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.254 -8.882 -13.426 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.819 -7.260 -13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.881 -9.808 -15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.671 -8.920 -13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.502 -6.873 -15.424 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.248 -8.096 -16.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.579 -7.522 -16.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.341 -9.142 -16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.587 -7.956 -14.814 1.00 0.00 H new ATOM 527 N VAL A 37 -2.906 -9.019 -14.260 1.00 0.00 N ATOM 528 CA VAL A 37 -1.996 -9.167 -13.134 1.00 0.00 C ATOM 529 C VAL A 37 -1.323 -7.839 -12.815 1.00 0.00 C ATOM 530 O VAL A 37 -0.981 -7.074 -13.717 1.00 0.00 O ATOM 531 CB VAL A 37 -0.907 -10.231 -13.401 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.611 -11.018 -12.134 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.317 -11.167 -14.530 1.00 0.00 C ATOM 0 H VAL A 37 -2.595 -8.350 -14.965 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.596 -9.496 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 37 0.001 -9.713 -13.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.158 -11.763 -12.340 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.260 -10.339 -11.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.519 -11.517 -11.796 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.531 -11.904 -14.695 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.243 -11.677 -14.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.471 -10.591 -15.442 1.00 0.00 H new ATOM 543 N HIS A 38 -1.124 -7.573 -11.532 1.00 0.00 N ATOM 544 CA HIS A 38 -0.482 -6.341 -11.104 1.00 0.00 C ATOM 545 C HIS A 38 0.610 -6.633 -10.084 1.00 0.00 C ATOM 546 O HIS A 38 0.333 -7.004 -8.945 1.00 0.00 O ATOM 547 CB HIS A 38 -1.513 -5.382 -10.505 1.00 0.00 C ATOM 548 CG HIS A 38 -1.125 -3.941 -10.618 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.904 -3.133 -9.522 1.00 0.00 N ATOM 550 CD2 HIS A 38 -0.918 -3.161 -11.705 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.579 -1.919 -9.931 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.580 -1.910 -11.251 1.00 0.00 N ATOM 0 H HIS A 38 -1.398 -8.194 -10.771 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.029 -5.871 -11.977 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.470 -5.532 -11.004 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.659 -5.629 -9.454 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.003 -3.466 -12.738 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.351 -1.077 -9.294 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.365 -1.104 -11.838 1.00 0.00 H new ATOM 561 N THR A 39 1.851 -6.449 -10.506 1.00 0.00 N ATOM 562 CA THR A 39 3.004 -6.679 -9.643 1.00 0.00 C ATOM 563 C THR A 39 3.463 -5.362 -9.027 1.00 0.00 C ATOM 564 O THR A 39 4.041 -4.518 -9.713 1.00 0.00 O ATOM 565 CB THR A 39 4.150 -7.282 -10.457 1.00 0.00 C ATOM 566 OG1 THR A 39 3.681 -8.322 -11.296 1.00 0.00 O ATOM 567 CG2 THR A 39 5.266 -7.842 -9.602 1.00 0.00 C ATOM 0 H THR A 39 2.089 -6.139 -11.448 1.00 0.00 H new ATOM 0 HA THR A 39 2.718 -7.370 -8.850 1.00 0.00 H new ATOM 0 HB THR A 39 4.549 -6.455 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.430 -8.692 -11.808 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.045 -8.253 -10.244 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.686 -7.047 -8.986 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.872 -8.629 -8.960 1.00 0.00 H new ATOM 575 N VAL A 40 3.213 -5.186 -7.737 1.00 0.00 N ATOM 576 CA VAL A 40 3.615 -3.964 -7.052 1.00 0.00 C ATOM 577 C VAL A 40 4.975 -4.143 -6.396 1.00 0.00 C ATOM 578 O VAL A 40 5.109 -4.895 -5.430 1.00 0.00 O ATOM 579 CB VAL A 40 2.590 -3.550 -5.979 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.956 -2.197 -5.386 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.185 -3.524 -6.563 1.00 0.00 C ATOM 0 H VAL A 40 2.737 -5.868 -7.147 1.00 0.00 H new ATOM 0 HA VAL A 40 3.668 -3.177 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 40 2.610 -4.289 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.221 -1.920 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.943 -2.256 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.966 -1.445 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.475 -3.229 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.145 -2.808 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.927 -4.516 -6.934 1.00 0.00 H new ATOM 591 N VAL A 41 5.987 -3.459 -6.920 1.00 0.00 N ATOM 592 CA VAL A 41 7.324 -3.572 -6.362 1.00 0.00 C ATOM 593 C VAL A 41 7.421 -2.872 -5.020 1.00 0.00 C ATOM 594 O VAL A 41 7.583 -1.654 -4.947 1.00 0.00 O ATOM 595 CB VAL A 41 8.415 -3.022 -7.297 1.00 0.00 C ATOM 596 CG1 VAL A 41 9.800 -3.352 -6.743 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.247 -3.582 -8.702 1.00 0.00 C ATOM 0 H VAL A 41 5.907 -2.830 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 41 7.499 -4.640 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 41 8.315 -1.938 -7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.564 -2.958 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.915 -2.901 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.911 -4.433 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.028 -3.182 -9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.323 -4.669 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.270 -3.297 -9.093 1.00 0.00 H new ATOM 607 N LEU A 42 7.339 -3.661 -3.957 1.00 0.00 N ATOM 608 CA LEU A 42 7.433 -3.145 -2.598 1.00 0.00 C ATOM 609 C LEU A 42 8.647 -2.230 -2.457 1.00 0.00 C ATOM 610 O LEU A 42 8.679 -1.349 -1.598 1.00 0.00 O ATOM 611 CB LEU A 42 7.557 -4.307 -1.619 1.00 0.00 C ATOM 612 CG LEU A 42 6.239 -4.861 -1.065 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.376 -5.434 -2.181 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.515 -5.924 -0.010 1.00 0.00 C ATOM 0 H LEU A 42 7.206 -4.671 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 42 6.533 -2.572 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.090 -5.119 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.174 -3.986 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 42 5.693 -4.039 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.447 -5.820 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.149 -4.651 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.913 -6.242 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.570 -6.309 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.084 -6.740 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.088 -5.486 0.807 1.00 0.00 H new ATOM 626 N SER A 43 9.640 -2.446 -3.317 1.00 0.00 N ATOM 627 CA SER A 43 10.854 -1.641 -3.300 1.00 0.00 C ATOM 628 C SER A 43 10.503 -0.189 -3.544 1.00 0.00 C ATOM 629 O SER A 43 10.844 0.694 -2.757 1.00 0.00 O ATOM 630 CB SER A 43 11.843 -2.135 -4.359 1.00 0.00 C ATOM 631 OG SER A 43 13.097 -2.451 -3.779 1.00 0.00 O ATOM 0 H SER A 43 9.626 -3.172 -4.033 1.00 0.00 H new ATOM 0 HA SER A 43 11.328 -1.736 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.437 -3.015 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.975 -1.369 -5.123 1.00 0.00 H new ATOM 0 HG SER A 43 12.956 -2.915 -2.927 1.00 0.00 H new ATOM 637 N THR A 44 9.785 0.038 -4.627 1.00 0.00 N ATOM 638 CA THR A 44 9.335 1.367 -4.976 1.00 0.00 C ATOM 639 C THR A 44 8.318 1.841 -3.947 1.00 0.00 C ATOM 640 O THR A 44 8.094 3.040 -3.784 1.00 0.00 O ATOM 641 CB THR A 44 8.712 1.361 -6.370 1.00 0.00 C ATOM 642 OG1 THR A 44 8.085 0.119 -6.632 1.00 0.00 O ATOM 643 CG2 THR A 44 9.713 1.612 -7.476 1.00 0.00 C ATOM 0 H THR A 44 9.500 -0.689 -5.284 1.00 0.00 H new ATOM 0 HA THR A 44 10.186 2.048 -4.981 1.00 0.00 H new ATOM 0 HB THR A 44 7.989 2.177 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.613 -0.185 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.203 1.594 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.180 2.586 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.479 0.837 -7.457 1.00 0.00 H new ATOM 651 N ILE A 45 7.712 0.883 -3.242 1.00 0.00 N ATOM 652 CA ILE A 45 6.727 1.201 -2.216 1.00 0.00 C ATOM 653 C ILE A 45 7.412 1.512 -0.890 1.00 0.00 C ATOM 654 O ILE A 45 7.591 0.631 -0.050 1.00 0.00 O ATOM 655 CB ILE A 45 5.726 0.046 -2.012 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.095 -0.353 -3.347 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.650 0.443 -1.010 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.261 0.743 -3.974 1.00 0.00 C ATOM 0 H ILE A 45 7.888 -0.114 -3.365 1.00 0.00 H new ATOM 0 HA ILE A 45 6.179 2.079 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 45 6.265 -0.813 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.885 -0.640 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.469 -1.233 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.952 -0.384 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.114 0.682 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.112 1.316 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.845 0.389 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.449 1.014 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.887 1.616 -4.158 1.00 0.00 H new ATOM 670 N ASP A 46 7.797 2.771 -0.712 1.00 0.00 N ATOM 671 CA ASP A 46 8.469 3.201 0.510 1.00 0.00 C ATOM 672 C ASP A 46 7.474 3.432 1.647 1.00 0.00 C ATOM 673 O ASP A 46 7.869 3.769 2.763 1.00 0.00 O ATOM 674 CB ASP A 46 9.268 4.480 0.249 1.00 0.00 C ATOM 675 CG ASP A 46 10.705 4.194 -0.139 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.206 3.101 0.199 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.331 5.064 -0.781 1.00 0.00 O ATOM 0 H ASP A 46 7.655 3.512 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 46 9.148 2.404 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.787 5.050 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.253 5.103 1.143 1.00 0.00 H new ATOM 682 N LYS A 47 6.186 3.249 1.366 1.00 0.00 N ATOM 683 CA LYS A 47 5.155 3.441 2.378 1.00 0.00 C ATOM 684 C LYS A 47 3.947 2.550 2.107 1.00 0.00 C ATOM 685 O LYS A 47 3.591 2.298 0.956 1.00 0.00 O ATOM 686 CB LYS A 47 4.724 4.909 2.427 1.00 0.00 C ATOM 687 CG LYS A 47 5.220 5.644 3.661 1.00 0.00 C ATOM 688 CD LYS A 47 6.591 6.260 3.430 1.00 0.00 C ATOM 689 CE LYS A 47 6.682 7.657 4.022 1.00 0.00 C ATOM 690 NZ LYS A 47 8.083 8.024 4.368 1.00 0.00 N ATOM 0 H LYS A 47 5.834 2.969 0.450 1.00 0.00 H new ATOM 0 HA LYS A 47 5.576 3.161 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.094 5.418 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.636 4.961 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.510 6.426 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.268 4.953 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.356 5.624 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.796 6.303 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.283 8.380 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.061 7.714 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.102 8.984 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.456 7.350 5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.671 7.995 3.511 1.00 0.00 H new ATOM 704 N LEU A 48 3.319 2.082 3.179 1.00 0.00 N ATOM 705 CA LEU A 48 2.146 1.221 3.071 1.00 0.00 C ATOM 706 C LEU A 48 1.170 1.514 4.205 1.00 0.00 C ATOM 707 O LEU A 48 1.581 1.870 5.309 1.00 0.00 O ATOM 708 CB LEU A 48 2.564 -0.253 3.101 1.00 0.00 C ATOM 709 CG LEU A 48 1.421 -1.254 3.298 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.737 -2.573 2.607 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.158 -1.474 4.782 1.00 0.00 C ATOM 0 H LEU A 48 3.604 2.285 4.137 1.00 0.00 H new ATOM 0 HA LEU A 48 1.651 1.425 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.074 -0.488 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.289 -0.392 3.903 1.00 0.00 H new ATOM 0 HG LEU A 48 0.519 -0.841 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.913 -3.270 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.874 -2.401 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.650 -2.994 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.343 -2.188 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.058 -1.865 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.884 -0.527 5.247 1.00 0.00 H new ATOM 723 N GLN A 49 -0.124 1.370 3.931 1.00 0.00 N ATOM 724 CA GLN A 49 -1.139 1.632 4.949 1.00 0.00 C ATOM 725 C GLN A 49 -2.250 0.586 4.926 1.00 0.00 C ATOM 726 O GLN A 49 -2.779 0.246 3.871 1.00 0.00 O ATOM 727 CB GLN A 49 -1.739 3.029 4.765 1.00 0.00 C ATOM 728 CG GLN A 49 -0.742 4.068 4.276 1.00 0.00 C ATOM 729 CD GLN A 49 -1.414 5.344 3.807 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.464 5.629 2.610 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.934 6.120 4.750 1.00 0.00 N ATOM 0 H GLN A 49 -0.492 1.077 3.026 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.644 1.577 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.564 2.969 4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.159 3.361 5.714 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.044 4.303 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.157 3.648 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.870 5.845 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.398 6.992 4.495 1.00 0.00 H new ATOM 740 N ALA A 50 -2.604 0.093 6.106 1.00 0.00 N ATOM 741 CA ALA A 50 -3.659 -0.905 6.245 1.00 0.00 C ATOM 742 C ALA A 50 -4.805 -0.350 7.079 1.00 0.00 C ATOM 743 O ALA A 50 -4.646 0.666 7.748 1.00 0.00 O ATOM 744 CB ALA A 50 -3.111 -2.172 6.881 1.00 0.00 C ATOM 0 H ALA A 50 -2.172 0.370 6.988 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.036 -1.150 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.911 -2.906 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.318 -2.580 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.711 -1.940 7.868 1.00 0.00 H new ATOM 750 N THR A 51 -5.961 -1.007 7.037 1.00 0.00 N ATOM 751 CA THR A 51 -7.116 -0.538 7.799 1.00 0.00 C ATOM 752 C THR A 51 -6.967 -0.858 9.285 1.00 0.00 C ATOM 753 O THR A 51 -6.276 -1.806 9.661 1.00 0.00 O ATOM 754 CB THR A 51 -8.397 -1.151 7.249 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.332 -2.566 7.275 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.680 -0.722 5.830 1.00 0.00 C ATOM 0 H THR A 51 -6.123 -1.854 6.492 1.00 0.00 H new ATOM 0 HA THR A 51 -7.171 0.546 7.694 1.00 0.00 H new ATOM 0 HB THR A 51 -9.200 -0.793 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.055 -2.916 7.836 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.604 -1.187 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.784 0.362 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.857 -1.031 5.186 1.00 0.00 H new ATOM 764 N PRO A 52 -7.589 -0.038 10.155 1.00 0.00 N ATOM 765 CA PRO A 52 -7.512 -0.180 11.599 1.00 0.00 C ATOM 766 C PRO A 52 -8.766 -0.780 12.219 1.00 0.00 C ATOM 767 O PRO A 52 -9.822 -0.833 11.589 1.00 0.00 O ATOM 768 CB PRO A 52 -7.380 1.278 12.017 1.00 0.00 C ATOM 769 CG PRO A 52 -8.244 2.026 11.041 1.00 0.00 C ATOM 770 CD PRO A 52 -8.396 1.143 9.815 1.00 0.00 C ATOM 0 HA PRO A 52 -6.712 -0.850 11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.716 1.429 13.043 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.344 1.613 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.217 2.248 11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.789 2.980 10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.438 0.881 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.030 1.636 8.915 1.00 0.00 H new ATOM 778 N ALA A 53 -8.646 -1.200 13.475 1.00 0.00 N ATOM 779 CA ALA A 53 -9.774 -1.763 14.202 1.00 0.00 C ATOM 780 C ALA A 53 -10.847 -0.697 14.438 1.00 0.00 C ATOM 781 O ALA A 53 -11.950 -1.004 14.890 1.00 0.00 O ATOM 782 CB ALA A 53 -9.311 -2.354 15.525 1.00 0.00 C ATOM 0 H ALA A 53 -7.778 -1.160 14.009 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.209 -2.561 13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.166 -2.771 16.057 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.582 -3.142 15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.852 -1.573 16.132 1.00 0.00 H new ATOM 788 N SER A 54 -10.516 0.558 14.121 1.00 0.00 N ATOM 789 CA SER A 54 -11.448 1.667 14.289 1.00 0.00 C ATOM 790 C SER A 54 -12.680 1.454 13.435 1.00 0.00 C ATOM 791 O SER A 54 -13.782 1.882 13.777 1.00 0.00 O ATOM 792 CB SER A 54 -10.775 2.956 13.850 1.00 0.00 C ATOM 793 OG SER A 54 -9.568 3.174 14.560 1.00 0.00 O ATOM 0 H SER A 54 -9.607 0.828 13.746 1.00 0.00 H new ATOM 0 HA SER A 54 -11.739 1.724 15.338 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.568 2.915 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.451 3.795 14.012 1.00 0.00 H new ATOM 0 HG SER A 54 -9.156 4.009 14.256 1.00 0.00 H new ATOM 799 N SER A 55 -12.468 0.787 12.320 1.00 0.00 N ATOM 800 CA SER A 55 -13.538 0.495 11.384 1.00 0.00 C ATOM 801 C SER A 55 -13.558 -0.985 11.028 1.00 0.00 C ATOM 802 O SER A 55 -12.573 -1.696 11.227 1.00 0.00 O ATOM 803 CB SER A 55 -13.357 1.330 10.122 1.00 0.00 C ATOM 804 OG SER A 55 -13.792 2.662 10.328 1.00 0.00 O ATOM 0 H SER A 55 -11.555 0.433 12.036 1.00 0.00 H new ATOM 0 HA SER A 55 -14.489 0.747 11.854 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.308 1.328 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.919 0.883 9.302 1.00 0.00 H new ATOM 0 HG SER A 55 -14.060 3.055 9.471 1.00 0.00 H new ATOM 810 N GLU A 56 -14.684 -1.444 10.494 1.00 0.00 N ATOM 811 CA GLU A 56 -14.826 -2.840 10.103 1.00 0.00 C ATOM 812 C GLU A 56 -14.389 -3.050 8.655 1.00 0.00 C ATOM 813 O GLU A 56 -14.631 -4.108 8.073 1.00 0.00 O ATOM 814 CB GLU A 56 -16.276 -3.296 10.281 1.00 0.00 C ATOM 815 CG GLU A 56 -16.764 -3.224 11.719 1.00 0.00 C ATOM 816 CD GLU A 56 -18.272 -3.106 11.818 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.792 -1.985 11.636 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.933 -4.133 12.077 1.00 0.00 O ATOM 0 H GLU A 56 -15.510 -0.871 10.322 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.181 -3.438 10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.921 -2.679 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.372 -4.322 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.437 -4.115 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.303 -2.368 12.213 1.00 0.00 H new ATOM 825 N LYS A 57 -13.746 -2.038 8.074 1.00 0.00 N ATOM 826 CA LYS A 57 -13.283 -2.122 6.697 1.00 0.00 C ATOM 827 C LYS A 57 -12.118 -3.097 6.579 1.00 0.00 C ATOM 828 O LYS A 57 -11.815 -3.835 7.516 1.00 0.00 O ATOM 829 CB LYS A 57 -12.861 -0.740 6.178 1.00 0.00 C ATOM 830 CG LYS A 57 -13.726 0.412 6.672 1.00 0.00 C ATOM 831 CD LYS A 57 -15.212 0.078 6.640 1.00 0.00 C ATOM 832 CE LYS A 57 -16.027 1.109 7.404 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.487 0.834 7.323 1.00 0.00 N ATOM 0 H LYS A 57 -13.536 -1.154 8.537 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.110 -2.487 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.828 -0.555 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.883 -0.753 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.436 0.669 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.541 1.292 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.555 0.034 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.374 -0.910 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.716 1.115 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.822 2.102 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.002 1.519 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.802 0.920 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.678 -0.129 7.665 1.00 0.00 H new ATOM 847 N MET A 58 -11.467 -3.092 5.423 1.00 0.00 N ATOM 848 CA MET A 58 -10.333 -3.972 5.180 1.00 0.00 C ATOM 849 C MET A 58 -9.695 -3.663 3.835 1.00 0.00 C ATOM 850 O MET A 58 -10.239 -4.010 2.786 1.00 0.00 O ATOM 851 CB MET A 58 -10.770 -5.436 5.223 1.00 0.00 C ATOM 852 CG MET A 58 -12.097 -5.697 4.531 1.00 0.00 C ATOM 853 SD MET A 58 -13.456 -5.920 5.693 1.00 0.00 S ATOM 854 CE MET A 58 -14.670 -6.697 4.632 1.00 0.00 C ATOM 0 H MET A 58 -11.706 -2.487 4.638 1.00 0.00 H new ATOM 0 HA MET A 58 -9.598 -3.801 5.966 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.000 -6.050 4.756 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.844 -5.754 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.326 -4.864 3.867 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.008 -6.587 3.907 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.664 -6.567 5.060 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.637 -6.237 3.644 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.449 -7.761 4.545 1.00 0.00 H new ATOM 864 N MET A 59 -8.542 -3.009 3.867 1.00 0.00 N ATOM 865 CA MET A 59 -7.842 -2.659 2.643 1.00 0.00 C ATOM 866 C MET A 59 -6.410 -2.221 2.922 1.00 0.00 C ATOM 867 O MET A 59 -6.122 -1.610 3.950 1.00 0.00 O ATOM 868 CB MET A 59 -8.604 -1.561 1.893 1.00 0.00 C ATOM 869 CG MET A 59 -8.710 -0.253 2.653 1.00 0.00 C ATOM 870 SD MET A 59 -10.366 0.043 3.300 1.00 0.00 S ATOM 871 CE MET A 59 -10.111 1.596 4.152 1.00 0.00 C ATOM 0 H MET A 59 -8.075 -2.712 4.724 1.00 0.00 H new ATOM 0 HA MET A 59 -7.797 -3.550 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.109 -1.376 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.608 -1.920 1.666 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.998 -0.258 3.478 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.429 0.569 1.994 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.426 1.497 5.191 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.054 1.861 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.698 2.377 3.668 1.00 0.00 H new ATOM 881 N LEU A 60 -5.518 -2.539 1.989 1.00 0.00 N ATOM 882 CA LEU A 60 -4.113 -2.182 2.118 1.00 0.00 C ATOM 883 C LEU A 60 -3.724 -1.165 1.050 1.00 0.00 C ATOM 884 O LEU A 60 -4.190 -1.232 -0.087 1.00 0.00 O ATOM 885 CB LEU A 60 -3.230 -3.430 2.006 1.00 0.00 C ATOM 886 CG LEU A 60 -3.472 -4.499 3.077 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.515 -5.669 2.892 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.322 -3.907 4.468 1.00 0.00 C ATOM 0 H LEU A 60 -5.746 -3.045 1.133 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.960 -1.735 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.386 -3.879 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.186 -3.122 2.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.492 -4.867 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.702 -6.418 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.669 -6.113 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.487 -5.315 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.498 -4.682 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.314 -3.510 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.047 -3.104 4.602 1.00 0.00 H new ATOM 900 N ARG A 61 -2.875 -0.218 1.429 1.00 0.00 N ATOM 901 CA ARG A 61 -2.425 0.826 0.518 1.00 0.00 C ATOM 902 C ARG A 61 -0.917 0.761 0.329 1.00 0.00 C ATOM 903 O ARG A 61 -0.174 0.559 1.289 1.00 0.00 O ATOM 904 CB ARG A 61 -2.809 2.197 1.068 1.00 0.00 C ATOM 905 CG ARG A 61 -3.079 3.234 -0.010 1.00 0.00 C ATOM 906 CD ARG A 61 -2.970 4.648 0.537 1.00 0.00 C ATOM 907 NE ARG A 61 -3.775 5.596 -0.229 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.817 6.903 0.017 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.101 7.422 1.008 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.575 7.695 -0.728 1.00 0.00 N ATOM 0 H ARG A 61 -2.482 -0.152 2.368 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.908 0.670 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.698 2.093 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.008 2.557 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.370 3.103 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.075 3.079 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.291 4.659 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.927 4.963 0.521 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.339 5.235 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.515 6.818 1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.137 8.425 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.127 7.303 -1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.606 8.697 -0.538 1.00 0.00 H new ATOM 924 N LEU A 62 -0.464 0.936 -0.906 1.00 0.00 N ATOM 925 CA LEU A 62 0.963 0.897 -1.198 1.00 0.00 C ATOM 926 C LEU A 62 1.411 2.192 -1.863 1.00 0.00 C ATOM 927 O LEU A 62 1.013 2.498 -2.987 1.00 0.00 O ATOM 928 CB LEU A 62 1.298 -0.304 -2.085 1.00 0.00 C ATOM 929 CG LEU A 62 0.429 -1.546 -1.857 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.301 -1.854 -0.368 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.945 -1.356 -2.488 1.00 0.00 C ATOM 0 H LEU A 62 -1.060 1.105 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 62 1.501 0.791 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.205 -0.002 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.341 -0.575 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 62 0.915 -2.396 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.320 -2.739 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.290 -2.036 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.159 -1.007 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.550 -2.246 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.435 -0.493 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.834 -1.193 -3.560 1.00 0.00 H new ATOM 943 N ILE A 63 2.233 2.953 -1.151 1.00 0.00 N ATOM 944 CA ILE A 63 2.733 4.225 -1.655 1.00 0.00 C ATOM 945 C ILE A 63 4.046 4.042 -2.404 1.00 0.00 C ATOM 946 O ILE A 63 5.097 3.841 -1.797 1.00 0.00 O ATOM 947 CB ILE A 63 2.939 5.230 -0.508 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.773 5.125 0.489 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.079 6.642 -1.065 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.298 6.450 1.043 1.00 0.00 C ATOM 0 H ILE A 63 2.568 2.710 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 63 1.983 4.616 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 63 3.860 4.994 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.935 4.630 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.078 4.487 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.224 7.344 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.937 6.685 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.176 6.908 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.475 6.280 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.118 6.940 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.958 7.085 0.225 1.00 0.00 H new ATOM 962 N GLY A 64 3.974 4.111 -3.729 1.00 0.00 N ATOM 963 CA GLY A 64 5.160 3.948 -4.548 1.00 0.00 C ATOM 964 C GLY A 64 5.939 5.238 -4.711 1.00 0.00 C ATOM 965 O GLY A 64 5.397 6.327 -4.525 1.00 0.00 O ATOM 0 H GLY A 64 3.114 4.277 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.805 3.193 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.870 3.577 -5.531 1.00 0.00 H new ATOM 969 N LYS A 65 7.214 5.113 -5.062 1.00 0.00 N ATOM 970 CA LYS A 65 8.073 6.275 -5.254 1.00 0.00 C ATOM 971 C LYS A 65 8.205 7.078 -3.964 1.00 0.00 C ATOM 972 O LYS A 65 7.404 6.928 -3.041 1.00 0.00 O ATOM 973 CB LYS A 65 7.521 7.164 -6.369 1.00 0.00 C ATOM 974 CG LYS A 65 8.599 7.778 -7.248 1.00 0.00 C ATOM 975 CD LYS A 65 9.331 6.717 -8.054 1.00 0.00 C ATOM 976 CE LYS A 65 9.731 7.237 -9.425 1.00 0.00 C ATOM 977 NZ LYS A 65 10.471 6.212 -10.213 1.00 0.00 N ATOM 0 H LYS A 65 7.676 4.217 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 65 9.063 5.919 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.848 6.575 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.927 7.963 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.148 8.504 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.311 8.321 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.220 6.396 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.693 5.841 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.839 7.542 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.353 8.125 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.726 6.605 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.336 5.940 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.869 5.375 -10.345 1.00 0.00 H new ATOM 991 N VAL A 66 9.223 7.929 -3.910 1.00 0.00 N ATOM 992 CA VAL A 66 9.471 8.760 -2.738 1.00 0.00 C ATOM 993 C VAL A 66 8.333 9.749 -2.508 1.00 0.00 C ATOM 994 O VAL A 66 7.359 9.778 -3.260 1.00 0.00 O ATOM 995 CB VAL A 66 10.788 9.542 -2.880 1.00 0.00 C ATOM 996 CG1 VAL A 66 11.979 8.596 -2.842 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.786 10.358 -4.164 1.00 0.00 C ATOM 0 H VAL A 66 9.893 8.062 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 66 9.540 8.087 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 66 10.874 10.230 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.901 9.168 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.988 8.060 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.903 7.882 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.725 10.905 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.676 9.691 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.955 11.064 -4.145 1.00 0.00 H new ATOM 1007 N ASP A 67 8.465 10.559 -1.462 1.00 0.00 N ATOM 1008 CA ASP A 67 7.452 11.554 -1.129 1.00 0.00 C ATOM 1009 C ASP A 67 7.759 12.890 -1.802 1.00 0.00 C ATOM 1010 O ASP A 67 8.622 12.972 -2.676 1.00 0.00 O ATOM 1011 CB ASP A 67 7.367 11.736 0.389 1.00 0.00 C ATOM 1012 CG ASP A 67 6.061 11.221 0.960 1.00 0.00 C ATOM 1013 OD1 ASP A 67 5.548 10.204 0.448 1.00 0.00 O ATOM 1014 OD2 ASP A 67 5.550 11.836 1.921 1.00 0.00 O ATOM 0 H ASP A 67 9.265 10.545 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 67 6.490 11.197 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.198 11.213 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.475 12.793 0.632 1.00 0.00 H new ATOM 1019 N GLU A 68 7.044 13.932 -1.391 1.00 0.00 N ATOM 1020 CA GLU A 68 7.233 15.260 -1.951 1.00 0.00 C ATOM 1021 C GLU A 68 8.019 16.158 -1.001 1.00 0.00 C ATOM 1022 O GLU A 68 8.653 17.122 -1.426 1.00 0.00 O ATOM 1023 CB GLU A 68 5.879 15.896 -2.271 1.00 0.00 C ATOM 1024 CG GLU A 68 5.041 16.200 -1.040 1.00 0.00 C ATOM 1025 CD GLU A 68 3.773 16.961 -1.371 1.00 0.00 C ATOM 1026 OE1 GLU A 68 3.876 18.133 -1.791 1.00 0.00 O ATOM 1027 OE2 GLU A 68 2.676 16.387 -1.210 1.00 0.00 O ATOM 0 H GLU A 68 6.326 13.879 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 68 7.808 15.155 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.043 16.820 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.319 15.228 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.780 15.266 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.635 16.781 -0.335 1.00 0.00 H new ATOM 1034 N SER A 69 7.972 15.837 0.287 1.00 0.00 N ATOM 1035 CA SER A 69 8.678 16.618 1.300 1.00 0.00 C ATOM 1036 C SER A 69 10.155 16.778 0.950 1.00 0.00 C ATOM 1037 O SER A 69 10.811 17.721 1.394 1.00 0.00 O ATOM 1038 CB SER A 69 8.536 15.958 2.673 1.00 0.00 C ATOM 1039 OG SER A 69 9.331 16.619 3.642 1.00 0.00 O ATOM 0 H SER A 69 7.452 15.041 0.656 1.00 0.00 H new ATOM 0 HA SER A 69 8.227 17.610 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.491 15.976 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.831 14.911 2.609 1.00 0.00 H new ATOM 0 HG SER A 69 9.221 16.179 4.511 1.00 0.00 H new ATOM 1045 N LYS A 70 10.670 15.849 0.156 1.00 0.00 N ATOM 1046 CA LYS A 70 12.065 15.876 -0.256 1.00 0.00 C ATOM 1047 C LYS A 70 12.265 16.720 -1.514 1.00 0.00 C ATOM 1048 O LYS A 70 13.344 16.713 -2.106 1.00 0.00 O ATOM 1049 CB LYS A 70 12.557 14.454 -0.513 1.00 0.00 C ATOM 1050 CG LYS A 70 11.671 13.686 -1.477 1.00 0.00 C ATOM 1051 CD LYS A 70 10.889 12.589 -0.770 1.00 0.00 C ATOM 1052 CE LYS A 70 11.813 11.604 -0.071 1.00 0.00 C ATOM 1053 NZ LYS A 70 11.934 11.889 1.386 1.00 0.00 N ATOM 0 H LYS A 70 10.138 15.063 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 70 12.641 16.329 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.571 14.492 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.607 13.916 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.977 14.374 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.284 13.247 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.213 13.036 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.271 12.058 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.436 10.591 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.800 11.644 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.936 12.018 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.406 12.755 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.544 11.092 1.929 1.00 0.00 H new ATOM 1067 N LYS A 71 11.221 17.438 -1.926 1.00 0.00 N ATOM 1068 CA LYS A 71 11.287 18.279 -3.120 1.00 0.00 C ATOM 1069 C LYS A 71 12.485 19.228 -3.074 1.00 0.00 C ATOM 1070 O LYS A 71 13.358 19.110 -2.215 1.00 0.00 O ATOM 1071 CB LYS A 71 9.994 19.086 -3.278 1.00 0.00 C ATOM 1072 CG LYS A 71 9.879 20.262 -2.317 1.00 0.00 C ATOM 1073 CD LYS A 71 8.664 20.132 -1.410 1.00 0.00 C ATOM 1074 CE LYS A 71 7.374 20.051 -2.210 1.00 0.00 C ATOM 1075 NZ LYS A 71 6.617 21.333 -2.175 1.00 0.00 N ATOM 0 H LYS A 71 10.319 17.454 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 71 11.409 17.619 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.932 19.458 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.142 18.422 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.782 20.325 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.812 21.190 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.765 19.241 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.621 20.986 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.604 19.793 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.750 19.250 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.744 21.236 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.375 21.567 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.202 22.093 -2.577 1.00 0.00 H new ATOM 1089 N ARG A 72 12.509 20.174 -4.004 1.00 0.00 N ATOM 1090 CA ARG A 72 13.587 21.151 -4.078 1.00 0.00 C ATOM 1091 C ARG A 72 13.095 22.443 -4.720 1.00 0.00 C ATOM 1092 O ARG A 72 12.403 22.417 -5.738 1.00 0.00 O ATOM 1093 CB ARG A 72 14.763 20.587 -4.876 1.00 0.00 C ATOM 1094 CG ARG A 72 14.374 20.070 -6.252 1.00 0.00 C ATOM 1095 CD ARG A 72 13.592 18.770 -6.159 1.00 0.00 C ATOM 1096 NE ARG A 72 13.752 17.946 -7.355 1.00 0.00 N ATOM 1097 CZ ARG A 72 14.820 17.190 -7.597 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.823 17.149 -6.729 1.00 0.00 N ATOM 1099 NH2 ARG A 72 14.885 16.471 -8.709 1.00 0.00 N ATOM 0 H ARG A 72 11.791 20.285 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 72 13.921 21.369 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.520 21.363 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.221 19.776 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.774 20.820 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.272 19.914 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.925 18.209 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.535 18.993 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 72 13.001 17.951 -8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.778 17.699 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.639 16.568 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.116 16.497 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.704 15.892 -8.895 1.00 0.00 H new ATOM 1113 N LYS A 73 13.450 23.572 -4.118 1.00 0.00 N ATOM 1114 CA LYS A 73 13.038 24.870 -4.634 1.00 0.00 C ATOM 1115 C LYS A 73 13.791 25.212 -5.915 1.00 0.00 C ATOM 1116 O LYS A 73 14.859 24.664 -6.184 1.00 0.00 O ATOM 1117 CB LYS A 73 13.270 25.960 -3.587 1.00 0.00 C ATOM 1118 CG LYS A 73 12.281 25.918 -2.433 1.00 0.00 C ATOM 1119 CD LYS A 73 12.329 24.583 -1.707 1.00 0.00 C ATOM 1120 CE LYS A 73 11.605 24.650 -0.372 1.00 0.00 C ATOM 1121 NZ LYS A 73 10.926 23.366 -0.043 1.00 0.00 N ATOM 0 H LYS A 73 14.021 23.614 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 73 11.973 24.817 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.281 25.862 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.210 26.935 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.503 26.723 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.273 26.093 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.876 23.812 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.367 24.292 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.318 24.896 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.869 25.454 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.444 23.453 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.228 23.144 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.631 22.603 0.007 1.00 0.00 H new ATOM 1135 N ASP A 74 13.225 26.121 -6.701 1.00 0.00 N ATOM 1136 CA ASP A 74 13.836 26.538 -7.951 1.00 0.00 C ATOM 1137 C ASP A 74 14.586 27.855 -7.779 1.00 0.00 C ATOM 1138 O ASP A 74 14.501 28.497 -6.732 1.00 0.00 O ATOM 1139 CB ASP A 74 12.774 26.675 -9.044 1.00 0.00 C ATOM 1140 CG ASP A 74 13.169 25.968 -10.326 1.00 0.00 C ATOM 1141 OD1 ASP A 74 13.799 24.894 -10.241 1.00 0.00 O ATOM 1142 OD2 ASP A 74 12.848 26.490 -11.414 1.00 0.00 O ATOM 0 H ASP A 74 12.340 26.583 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 74 14.552 25.772 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.830 26.266 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.605 27.732 -9.252 1.00 0.00 H new ATOM 1147 N ASN A 75 15.318 28.253 -8.815 1.00 0.00 N ATOM 1148 CA ASN A 75 16.082 29.493 -8.778 1.00 0.00 C ATOM 1149 C ASN A 75 15.156 30.696 -8.674 1.00 0.00 C ATOM 1150 O ASN A 75 15.481 31.695 -8.032 1.00 0.00 O ATOM 1151 CB ASN A 75 16.957 29.616 -10.025 1.00 0.00 C ATOM 1152 CG ASN A 75 18.180 28.722 -9.963 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.118 28.985 -9.211 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.176 27.658 -10.758 1.00 0.00 N ATOM 0 H ASN A 75 15.398 27.734 -9.690 1.00 0.00 H new ATOM 0 HA ASN A 75 16.722 29.470 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.368 29.361 -10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.273 30.652 -10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.972 27.020 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.377 27.478 -11.366 1.00 0.00 H new ATOM 1161 N GLU A 76 14.001 30.587 -9.311 1.00 0.00 N ATOM 1162 CA GLU A 76 13.014 31.654 -9.300 1.00 0.00 C ATOM 1163 C GLU A 76 12.108 31.550 -8.076 1.00 0.00 C ATOM 1164 O GLU A 76 11.401 32.498 -7.733 1.00 0.00 O ATOM 1165 CB GLU A 76 12.172 31.611 -10.577 1.00 0.00 C ATOM 1166 CG GLU A 76 12.752 32.434 -11.716 1.00 0.00 C ATOM 1167 CD GLU A 76 12.300 33.880 -11.678 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.178 34.436 -10.566 1.00 0.00 O ATOM 1169 OE2 GLU A 76 12.069 34.458 -12.761 1.00 0.00 O ATOM 0 H GLU A 76 13.723 29.764 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 76 13.546 32.604 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.073 30.575 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.168 31.972 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.840 32.396 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.458 31.990 -12.667 1.00 0.00 H new ATOM 1176 N GLY A 77 12.131 30.392 -7.421 1.00 0.00 N ATOM 1177 CA GLY A 77 11.306 30.186 -6.245 1.00 0.00 C ATOM 1178 C GLY A 77 10.232 29.137 -6.464 1.00 0.00 C ATOM 1179 O GLY A 77 9.262 29.068 -5.710 1.00 0.00 O ATOM 0 H GLY A 77 12.707 29.593 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.938 29.885 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.836 31.129 -5.965 1.00 0.00 H new ATOM 1183 N ASN A 78 10.405 28.318 -7.498 1.00 0.00 N ATOM 1184 CA ASN A 78 9.441 27.269 -7.810 1.00 0.00 C ATOM 1185 C ASN A 78 9.761 25.993 -7.038 1.00 0.00 C ATOM 1186 O ASN A 78 10.679 25.966 -6.219 1.00 0.00 O ATOM 1187 CB ASN A 78 9.436 26.983 -9.313 1.00 0.00 C ATOM 1188 CG ASN A 78 8.418 27.824 -10.057 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.316 27.365 -10.359 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.783 29.065 -10.359 1.00 0.00 N ATOM 0 H ASN A 78 11.202 28.361 -8.132 1.00 0.00 H new ATOM 0 HA ASN A 78 8.452 27.616 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.429 27.175 -9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.222 25.927 -9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.140 29.678 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.706 29.405 -10.090 1.00 0.00 H new ATOM 1197 N GLU A 79 8.999 24.937 -7.305 1.00 0.00 N ATOM 1198 CA GLU A 79 9.204 23.658 -6.635 1.00 0.00 C ATOM 1199 C GLU A 79 8.508 22.530 -7.391 1.00 0.00 C ATOM 1200 O GLU A 79 7.640 22.776 -8.229 1.00 0.00 O ATOM 1201 CB GLU A 79 8.682 23.722 -5.198 1.00 0.00 C ATOM 1202 CG GLU A 79 7.251 24.223 -5.093 1.00 0.00 C ATOM 1203 CD GLU A 79 7.171 25.668 -4.640 1.00 0.00 C ATOM 1204 OE1 GLU A 79 7.685 25.975 -3.544 1.00 0.00 O ATOM 1205 OE2 GLU A 79 6.595 26.492 -5.381 1.00 0.00 O ATOM 0 H GLU A 79 8.234 24.942 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 79 10.274 23.453 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.744 22.729 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.331 24.374 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.763 24.122 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.701 23.595 -4.392 1.00 0.00 H new ATOM 1212 N VAL A 80 8.893 21.294 -7.089 1.00 0.00 N ATOM 1213 CA VAL A 80 8.303 20.131 -7.742 1.00 0.00 C ATOM 1214 C VAL A 80 7.810 19.115 -6.719 1.00 0.00 C ATOM 1215 O VAL A 80 8.236 19.119 -5.565 1.00 0.00 O ATOM 1216 CB VAL A 80 9.310 19.436 -8.682 1.00 0.00 C ATOM 1217 CG1 VAL A 80 10.502 18.908 -7.897 1.00 0.00 C ATOM 1218 CG2 VAL A 80 8.634 18.309 -9.456 1.00 0.00 C ATOM 0 H VAL A 80 9.609 21.072 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 80 7.460 20.498 -8.328 1.00 0.00 H new ATOM 0 HB VAL A 80 9.673 20.173 -9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.200 18.422 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.003 19.736 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.158 18.188 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.361 17.832 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.239 17.573 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.818 18.716 -10.053 1.00 0.00 H new ATOM 1228 N VAL A 81 6.920 18.238 -7.158 1.00 0.00 N ATOM 1229 CA VAL A 81 6.376 17.205 -6.303 1.00 0.00 C ATOM 1230 C VAL A 81 6.369 15.867 -7.032 1.00 0.00 C ATOM 1231 O VAL A 81 5.410 15.539 -7.729 1.00 0.00 O ATOM 1232 CB VAL A 81 4.949 17.549 -5.840 1.00 0.00 C ATOM 1233 CG1 VAL A 81 4.433 16.503 -4.863 1.00 0.00 C ATOM 1234 CG2 VAL A 81 4.919 18.936 -5.218 1.00 0.00 C ATOM 0 H VAL A 81 6.559 18.225 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 81 7.014 17.137 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 81 4.291 17.548 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.423 16.766 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.420 15.527 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.086 16.466 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.904 19.168 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.589 18.964 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.242 19.672 -5.954 1.00 0.00 H new ATOM 1244 N PRO A 82 7.450 15.077 -6.887 1.00 0.00 N ATOM 1245 CA PRO A 82 7.577 13.770 -7.539 1.00 0.00 C ATOM 1246 C PRO A 82 6.316 12.925 -7.411 1.00 0.00 C ATOM 1247 O PRO A 82 6.194 12.110 -6.498 1.00 0.00 O ATOM 1248 CB PRO A 82 8.738 13.128 -6.784 1.00 0.00 C ATOM 1249 CG PRO A 82 9.595 14.279 -6.397 1.00 0.00 C ATOM 1250 CD PRO A 82 8.643 15.398 -6.076 1.00 0.00 C ATOM 0 HA PRO A 82 7.739 13.858 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.390 12.578 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.280 12.420 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.217 14.033 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.269 14.557 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.408 15.433 -5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.060 16.369 -6.342 1.00 0.00 H new ATOM 1258 N LYS A 83 5.381 13.131 -8.336 1.00 0.00 N ATOM 1259 CA LYS A 83 4.116 12.397 -8.340 1.00 0.00 C ATOM 1260 C LYS A 83 4.336 10.907 -8.074 1.00 0.00 C ATOM 1261 O LYS A 83 4.685 10.152 -8.982 1.00 0.00 O ATOM 1262 CB LYS A 83 3.403 12.583 -9.681 1.00 0.00 C ATOM 1263 CG LYS A 83 3.121 14.037 -10.023 1.00 0.00 C ATOM 1264 CD LYS A 83 4.116 14.575 -11.038 1.00 0.00 C ATOM 1265 CE LYS A 83 4.407 16.049 -10.805 1.00 0.00 C ATOM 1266 NZ LYS A 83 4.573 16.791 -12.085 1.00 0.00 N ATOM 0 H LYS A 83 5.476 13.804 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 83 3.495 12.798 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.012 12.144 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.462 12.034 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.110 14.129 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.164 14.640 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.044 14.006 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.722 14.435 -12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.594 16.493 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.312 16.150 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.770 17.792 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.365 16.384 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.700 16.716 -12.645 1.00 0.00 H new ATOM 1280 N PRO A 84 4.140 10.464 -6.819 1.00 0.00 N ATOM 1281 CA PRO A 84 4.325 9.062 -6.433 1.00 0.00 C ATOM 1282 C PRO A 84 3.230 8.159 -6.994 1.00 0.00 C ATOM 1283 O PRO A 84 2.353 8.613 -7.728 1.00 0.00 O ATOM 1284 CB PRO A 84 4.260 9.090 -4.896 1.00 0.00 C ATOM 1285 CG PRO A 84 4.338 10.533 -4.523 1.00 0.00 C ATOM 1286 CD PRO A 84 3.734 11.283 -5.671 1.00 0.00 C ATOM 0 HA PRO A 84 5.260 8.658 -6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.336 8.640 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.083 8.526 -4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.794 10.728 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.371 10.839 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 84 2.650 11.356 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.118 12.301 -5.740 1.00 0.00 H new ATOM 1294 N GLN A 85 3.287 6.879 -6.641 1.00 0.00 N ATOM 1295 CA GLN A 85 2.300 5.911 -7.105 1.00 0.00 C ATOM 1296 C GLN A 85 1.629 5.215 -5.926 1.00 0.00 C ATOM 1297 O GLN A 85 2.070 4.152 -5.487 1.00 0.00 O ATOM 1298 CB GLN A 85 2.962 4.875 -8.016 1.00 0.00 C ATOM 1299 CG GLN A 85 1.995 3.835 -8.558 1.00 0.00 C ATOM 1300 CD GLN A 85 2.420 3.293 -9.909 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.826 2.137 -10.027 1.00 0.00 O ATOM 1302 NE2 GLN A 85 2.327 4.128 -10.937 1.00 0.00 N ATOM 0 H GLN A 85 4.007 6.488 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 85 1.537 6.446 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.436 5.389 -8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.753 4.370 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.917 3.011 -7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.002 4.277 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.985 5.078 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.598 3.819 -11.871 1.00 0.00 H new ATOM 1311 N ARG A 86 0.564 5.823 -5.413 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.165 5.263 -4.279 1.00 0.00 C ATOM 1313 C ARG A 86 -1.511 4.698 -4.722 1.00 0.00 C ATOM 1314 O ARG A 86 -2.181 5.268 -5.583 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.381 6.328 -3.197 1.00 0.00 C ATOM 1316 CG ARG A 86 0.606 7.484 -3.261 1.00 0.00 C ATOM 1317 CD ARG A 86 0.321 8.519 -2.184 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.688 9.487 -2.608 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.878 10.666 -2.019 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.131 11.025 -0.982 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -1.817 11.487 -2.468 1.00 0.00 N ATOM 0 H ARG A 86 0.186 6.703 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 86 0.435 4.453 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.393 6.722 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.309 5.856 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.621 7.104 -3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.554 7.955 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.017 8.016 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.243 9.043 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.282 9.245 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.593 10.397 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.281 11.929 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.394 11.215 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.963 12.390 -2.017 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.904 3.577 -4.125 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.174 2.943 -4.459 1.00 0.00 C ATOM 1337 C HIS A 87 -3.798 2.278 -3.236 1.00 0.00 C ATOM 1338 O HIS A 87 -3.095 1.741 -2.381 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.991 1.910 -5.574 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.766 1.059 -5.432 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.477 1.388 -5.182 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -1.788 -0.314 -5.568 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 0.247 0.221 -5.174 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -0.567 -0.790 -5.409 1.00 0.00 N flip ATOM 0 H HIS A 87 -1.363 3.091 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.847 3.726 -4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.868 1.263 -5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.949 2.430 -6.531 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.111 2.328 -5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.667 -0.907 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.311 0.144 -5.003 1.00 0.00 H new ATOM 1353 N MET A 88 -5.125 2.313 -3.168 1.00 0.00 N ATOM 1354 CA MET A 88 -5.854 1.711 -2.058 1.00 0.00 C ATOM 1355 C MET A 88 -6.443 0.368 -2.481 1.00 0.00 C ATOM 1356 O MET A 88 -7.398 0.311 -3.256 1.00 0.00 O ATOM 1357 CB MET A 88 -6.960 2.660 -1.577 1.00 0.00 C ATOM 1358 CG MET A 88 -7.689 2.206 -0.313 1.00 0.00 C ATOM 1359 SD MET A 88 -8.836 3.461 0.312 1.00 0.00 S ATOM 1360 CE MET A 88 -8.657 3.298 2.094 1.00 0.00 C ATOM 0 H MET A 88 -5.719 2.753 -3.871 1.00 0.00 H new ATOM 0 HA MET A 88 -5.163 1.539 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.523 3.642 -1.395 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.690 2.780 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.238 1.288 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.958 1.969 0.460 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.640 3.338 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.183 2.345 2.326 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.040 4.112 2.474 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.859 -0.707 -1.966 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.308 -2.058 -2.282 1.00 0.00 C ATOM 1372 C PHE A 89 -7.314 -2.518 -1.236 1.00 0.00 C ATOM 1373 O PHE A 89 -6.994 -2.577 -0.052 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.105 -3.003 -2.322 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.994 -3.783 -3.598 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.061 -4.532 -4.062 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.820 -3.763 -4.335 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.961 -5.249 -5.237 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.715 -4.478 -5.511 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.787 -5.221 -5.962 1.00 0.00 C ATOM 0 H PHE A 89 -5.068 -0.669 -1.323 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.790 -2.066 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.193 -2.423 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.173 -3.699 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.982 -4.556 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.979 -3.182 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.800 -5.831 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.796 -4.456 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.707 -5.781 -6.882 1.00 0.00 H new ATOM 1390 N SER A 90 -8.536 -2.820 -1.669 1.00 0.00 N ATOM 1391 CA SER A 90 -9.582 -3.233 -0.743 1.00 0.00 C ATOM 1392 C SER A 90 -10.075 -4.637 -1.029 1.00 0.00 C ATOM 1393 O SER A 90 -10.217 -5.041 -2.181 1.00 0.00 O ATOM 1394 CB SER A 90 -10.755 -2.256 -0.808 1.00 0.00 C ATOM 1395 OG SER A 90 -10.399 -0.994 -0.270 1.00 0.00 O ATOM 0 H SER A 90 -8.823 -2.786 -2.647 1.00 0.00 H new ATOM 0 HA SER A 90 -9.149 -3.229 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.075 -2.136 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.603 -2.664 -0.257 1.00 0.00 H new ATOM 0 HG SER A 90 -11.166 -0.387 -0.325 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.339 -5.375 0.039 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.824 -6.738 -0.074 1.00 0.00 C ATOM 1403 C PHE A 91 -11.955 -6.977 0.923 1.00 0.00 C ATOM 1404 O PHE A 91 -12.226 -6.131 1.775 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.686 -7.747 0.128 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.347 -7.135 0.473 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.723 -6.263 -0.404 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.703 -7.446 1.664 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.495 -5.712 -0.106 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.469 -6.896 1.963 1.00 0.00 C ATOM 1411 CZ PHE A 91 -5.867 -6.028 1.077 1.00 0.00 C ATOM 0 H PHE A 91 -10.224 -5.048 0.998 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.215 -6.884 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.969 -8.438 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.576 -8.336 -0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.206 -6.011 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.170 -8.124 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.026 -5.032 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.977 -7.147 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.905 -5.597 1.311 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.633 -8.113 0.798 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.754 -8.426 1.679 1.00 0.00 C ATOM 1423 C ASN A 92 -13.365 -9.395 2.793 1.00 0.00 C ATOM 1424 O ASN A 92 -14.213 -10.124 3.307 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.910 -9.013 0.867 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.519 -8.002 -0.084 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.195 -7.063 0.337 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.283 -8.190 -1.378 1.00 0.00 N ATOM 0 H ASN A 92 -12.428 -8.828 0.100 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.064 -7.493 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.553 -9.872 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.680 -9.378 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.668 -7.543 -2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.717 -8.982 -1.683 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.091 -9.404 3.173 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.634 -10.293 4.233 1.00 0.00 C ATOM 1437 C ASN A 93 -10.832 -9.537 5.288 1.00 0.00 C ATOM 1438 O ASN A 93 -9.630 -9.327 5.136 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.794 -11.429 3.651 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.644 -12.593 3.181 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.806 -12.724 3.567 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.067 -13.446 2.343 1.00 0.00 N ATOM 0 H ASN A 93 -11.365 -8.813 2.768 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.516 -10.713 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.206 -11.051 2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.088 -11.779 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.589 -14.249 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.101 -13.298 2.050 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.509 -9.139 6.362 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.863 -8.415 7.450 1.00 0.00 C ATOM 1451 C ARG A 94 -9.745 -9.249 8.070 1.00 0.00 C ATOM 1452 O ARG A 94 -8.816 -8.710 8.672 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.889 -8.040 8.521 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.317 -7.182 9.638 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.215 -7.192 10.864 1.00 0.00 C ATOM 1456 NE ARG A 94 -11.454 -7.045 12.102 1.00 0.00 N ATOM 1457 CZ ARG A 94 -10.785 -8.038 12.683 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.780 -9.250 12.142 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.118 -7.818 13.808 1.00 0.00 N ATOM 0 H ARG A 94 -12.506 -9.306 6.501 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.428 -7.504 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.714 -7.506 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.303 -8.952 8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.326 -7.548 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.193 -6.158 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.942 -6.383 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.778 -8.125 10.893 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.434 -6.128 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.291 -9.424 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.265 -10.007 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.118 -6.888 14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.605 -8.579 14.254 1.00 0.00 H new ATOM 1473 N THR A 95 -9.840 -10.566 7.919 1.00 0.00 N ATOM 1474 CA THR A 95 -8.837 -11.474 8.460 1.00 0.00 C ATOM 1475 C THR A 95 -7.648 -11.589 7.509 1.00 0.00 C ATOM 1476 O THR A 95 -6.493 -11.484 7.922 1.00 0.00 O ATOM 1477 CB THR A 95 -9.464 -12.852 8.726 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.237 -13.253 10.064 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.947 -13.958 7.825 1.00 0.00 C ATOM 0 H THR A 95 -10.603 -11.028 7.425 1.00 0.00 H new ATOM 0 HA THR A 95 -8.471 -11.073 9.405 1.00 0.00 H new ATOM 0 HB THR A 95 -10.525 -12.717 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.644 -14.131 10.216 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.441 -14.896 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.157 -13.708 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.871 -14.066 7.962 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.945 -11.810 6.233 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.910 -11.945 5.215 1.00 0.00 C ATOM 1489 C VAL A 96 -6.044 -10.691 5.138 1.00 0.00 C ATOM 1490 O VAL A 96 -4.830 -10.771 4.946 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.529 -12.233 3.825 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.765 -10.949 3.040 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.644 -13.187 3.039 1.00 0.00 C ATOM 0 H VAL A 96 -8.897 -11.900 5.878 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.283 -12.788 5.504 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.499 -12.704 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.200 -11.190 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.448 -10.304 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.816 -10.432 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.092 -13.380 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.659 -12.741 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.545 -14.125 3.585 1.00 0.00 H new ATOM 1503 N MET A 97 -6.683 -9.535 5.270 1.00 0.00 N ATOM 1504 CA MET A 97 -5.982 -8.258 5.195 1.00 0.00 C ATOM 1505 C MET A 97 -5.046 -8.046 6.386 1.00 0.00 C ATOM 1506 O MET A 97 -3.857 -7.781 6.213 1.00 0.00 O ATOM 1507 CB MET A 97 -6.995 -7.112 5.111 1.00 0.00 C ATOM 1508 CG MET A 97 -8.085 -7.169 6.169 1.00 0.00 C ATOM 1509 SD MET A 97 -8.181 -5.668 7.170 1.00 0.00 S ATOM 1510 CE MET A 97 -6.455 -5.378 7.555 1.00 0.00 C ATOM 0 H MET A 97 -7.687 -9.455 5.430 1.00 0.00 H new ATOM 0 HA MET A 97 -5.367 -8.271 4.295 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.464 -6.164 5.202 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.460 -7.123 4.125 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.046 -7.336 5.683 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.905 -8.023 6.822 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.281 -5.570 8.614 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.832 -6.044 6.958 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.200 -4.343 7.328 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.595 -8.149 7.588 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.826 -7.952 8.816 1.00 0.00 C ATOM 1522 C ASP A 98 -3.553 -8.801 8.846 1.00 0.00 C ATOM 1523 O ASP A 98 -2.614 -8.491 9.580 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.693 -8.280 10.033 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.273 -7.038 10.681 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.518 -6.321 11.372 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.482 -6.782 10.498 1.00 0.00 O ATOM 0 H ASP A 98 -6.579 -8.370 7.743 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.524 -6.905 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.505 -8.941 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.096 -8.823 10.765 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.527 -9.879 8.069 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.367 -10.767 8.041 1.00 0.00 C ATOM 1534 C ASN A 99 -1.297 -10.286 7.063 1.00 0.00 C ATOM 1535 O ASN A 99 -0.154 -10.045 7.452 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.802 -12.187 7.674 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.299 -12.969 8.874 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.131 -12.545 10.018 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -3.914 -14.117 8.619 1.00 0.00 N ATOM 0 H ASN A 99 -4.290 -10.159 7.453 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.929 -10.761 9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.591 -12.140 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.963 -12.715 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.270 -14.687 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.031 -14.430 7.655 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.664 -10.168 5.792 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.725 -9.738 4.760 1.00 0.00 C ATOM 1548 C ILE A 100 -0.263 -8.293 4.965 1.00 0.00 C ATOM 1549 O ILE A 100 0.768 -7.886 4.430 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.339 -9.887 3.350 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.248 -9.784 2.279 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.424 -8.842 3.122 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.789 -9.609 0.874 1.00 0.00 C ATOM 0 H ILE A 100 -2.605 -10.364 5.450 1.00 0.00 H new ATOM 0 HA ILE A 100 0.145 -10.389 4.845 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.800 -10.872 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.403 -8.942 2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.368 -10.683 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.843 -8.965 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.212 -8.968 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.994 -7.845 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.041 -9.544 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.417 -10.462 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.381 -8.695 0.823 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.026 -7.521 5.732 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.685 -6.128 5.990 1.00 0.00 C ATOM 1567 C LYS A 101 0.547 -6.021 6.880 1.00 0.00 C ATOM 1568 O LYS A 101 1.359 -5.107 6.736 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.876 -5.409 6.630 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.124 -5.766 8.088 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.330 -4.525 8.944 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.111 -3.617 8.909 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.236 -3.813 10.099 1.00 0.00 N ATOM 0 H LYS A 101 -1.884 -7.837 6.185 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.451 -5.648 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.717 -4.333 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.773 -5.639 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.002 -6.408 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.278 -6.337 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.203 -3.978 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.535 -4.821 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.539 -3.813 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.434 -2.577 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.266 -2.962 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.572 -4.632 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.742 -3.983 9.787 1.00 0.00 H new ATOM 1587 N MET A 102 0.671 -6.963 7.801 1.00 0.00 N ATOM 1588 CA MET A 102 1.796 -6.990 8.729 1.00 0.00 C ATOM 1589 C MET A 102 3.089 -7.361 8.011 1.00 0.00 C ATOM 1590 O MET A 102 4.143 -6.780 8.270 1.00 0.00 O ATOM 1591 CB MET A 102 1.525 -7.983 9.861 1.00 0.00 C ATOM 1592 CG MET A 102 0.806 -7.367 11.050 1.00 0.00 C ATOM 1593 SD MET A 102 -0.339 -8.515 11.840 1.00 0.00 S ATOM 1594 CE MET A 102 0.672 -9.991 11.932 1.00 0.00 C ATOM 0 H MET A 102 0.004 -7.724 7.928 1.00 0.00 H new ATOM 0 HA MET A 102 1.911 -5.991 9.149 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.928 -8.809 9.474 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.472 -8.405 10.198 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.542 -7.033 11.781 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.259 -6.483 10.721 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.320 -10.623 12.747 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.603 -10.539 10.992 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.710 -9.711 12.113 1.00 0.00 H new ATOM 1604 N THR A 103 3.002 -8.333 7.109 1.00 0.00 N ATOM 1605 CA THR A 103 4.166 -8.783 6.354 1.00 0.00 C ATOM 1606 C THR A 103 4.807 -7.628 5.591 1.00 0.00 C ATOM 1607 O THR A 103 6.031 -7.514 5.531 1.00 0.00 O ATOM 1608 CB THR A 103 3.770 -9.894 5.381 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.894 -10.817 6.003 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.953 -10.672 4.847 1.00 0.00 C ATOM 0 H THR A 103 2.137 -8.824 6.883 1.00 0.00 H new ATOM 0 HA THR A 103 4.896 -9.172 7.064 1.00 0.00 H new ATOM 0 HB THR A 103 3.283 -9.388 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.651 -11.519 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.602 -11.444 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.624 -9.996 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.487 -11.137 5.676 1.00 0.00 H new ATOM 1618 N LEU A 104 3.972 -6.775 5.007 1.00 0.00 N ATOM 1619 CA LEU A 104 4.459 -5.631 4.244 1.00 0.00 C ATOM 1620 C LEU A 104 4.813 -4.467 5.163 1.00 0.00 C ATOM 1621 O LEU A 104 5.877 -3.861 5.031 1.00 0.00 O ATOM 1622 CB LEU A 104 3.408 -5.187 3.228 1.00 0.00 C ATOM 1623 CG LEU A 104 3.344 -6.034 1.956 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.118 -6.932 1.972 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.341 -5.145 0.721 1.00 0.00 C ATOM 0 H LEU A 104 2.956 -6.854 5.047 1.00 0.00 H new ATOM 0 HA LEU A 104 5.362 -5.940 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.430 -5.204 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.608 -4.153 2.949 1.00 0.00 H new ATOM 0 HG LEU A 104 4.231 -6.667 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.090 -7.526 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.164 -7.595 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.219 -6.319 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.295 -5.766 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.474 -4.485 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.252 -4.547 0.701 1.00 0.00 H new ATOM 1637 N GLN A 105 3.915 -4.156 6.094 1.00 0.00 N ATOM 1638 CA GLN A 105 4.130 -3.060 7.036 1.00 0.00 C ATOM 1639 C GLN A 105 5.527 -3.125 7.647 1.00 0.00 C ATOM 1640 O GLN A 105 6.208 -2.108 7.775 1.00 0.00 O ATOM 1641 CB GLN A 105 3.077 -3.101 8.145 1.00 0.00 C ATOM 1642 CG GLN A 105 3.061 -1.854 9.013 1.00 0.00 C ATOM 1643 CD GLN A 105 1.967 -1.889 10.063 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.003 -2.702 10.987 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.986 -1.004 9.926 1.00 0.00 N ATOM 0 H GLN A 105 3.030 -4.648 6.217 1.00 0.00 H new ATOM 0 HA GLN A 105 4.039 -2.123 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.093 -3.234 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.259 -3.971 8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.028 -1.745 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.925 -0.977 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.996 -0.348 9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.223 -0.980 10.602 1.00 0.00 H new ATOM 1654 N GLN A 106 5.946 -4.328 8.022 1.00 0.00 N ATOM 1655 CA GLN A 106 7.261 -4.527 8.619 1.00 0.00 C ATOM 1656 C GLN A 106 8.366 -4.301 7.593 1.00 0.00 C ATOM 1657 O GLN A 106 9.406 -3.721 7.904 1.00 0.00 O ATOM 1658 CB GLN A 106 7.371 -5.937 9.203 1.00 0.00 C ATOM 1659 CG GLN A 106 7.277 -7.037 8.159 1.00 0.00 C ATOM 1660 CD GLN A 106 7.472 -8.419 8.750 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.441 -8.597 9.968 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.674 -9.409 7.887 1.00 0.00 N ATOM 0 H GLN A 106 5.394 -5.180 7.923 1.00 0.00 H new ATOM 0 HA GLN A 106 7.382 -3.798 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.320 -6.029 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.581 -6.079 9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.303 -6.988 7.672 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.028 -6.866 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.692 -9.217 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.811 -10.361 8.226 1.00 0.00 H new ATOM 1671 N ILE A 107 8.138 -4.768 6.368 1.00 0.00 N ATOM 1672 CA ILE A 107 9.113 -4.622 5.302 1.00 0.00 C ATOM 1673 C ILE A 107 9.440 -3.154 5.045 1.00 0.00 C ATOM 1674 O ILE A 107 10.596 -2.749 5.122 1.00 0.00 O ATOM 1675 CB ILE A 107 8.609 -5.302 4.005 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.351 -6.617 3.796 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.768 -4.401 2.788 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.847 -7.417 2.614 1.00 0.00 C ATOM 0 H ILE A 107 7.283 -5.251 6.093 1.00 0.00 H new ATOM 0 HA ILE A 107 10.030 -5.117 5.620 1.00 0.00 H new ATOM 0 HB ILE A 107 7.543 -5.498 4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.412 -6.408 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.262 -7.222 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.402 -4.919 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.195 -3.485 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.821 -4.153 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.422 -8.339 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.794 -7.658 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.962 -6.831 1.702 1.00 0.00 H new ATOM 1690 N ILE A 108 8.423 -2.357 4.739 1.00 0.00 N ATOM 1691 CA ILE A 108 8.636 -0.938 4.473 1.00 0.00 C ATOM 1692 C ILE A 108 9.424 -0.287 5.599 1.00 0.00 C ATOM 1693 O ILE A 108 10.136 0.695 5.390 1.00 0.00 O ATOM 1694 CB ILE A 108 7.315 -0.165 4.289 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.298 -0.988 3.494 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.586 1.162 3.600 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.833 -1.519 2.180 1.00 0.00 C ATOM 0 H ILE A 108 7.453 -2.664 4.669 1.00 0.00 H new ATOM 0 HA ILE A 108 9.199 -0.888 3.541 1.00 0.00 H new ATOM 0 HB ILE A 108 6.887 0.026 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.966 -1.827 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.421 -0.371 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.649 1.704 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.268 1.755 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.035 0.980 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.055 -2.091 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.138 -0.685 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.691 -2.163 2.370 1.00 0.00 H new ATOM 1709 N SER A 109 9.293 -0.846 6.791 1.00 0.00 N ATOM 1710 CA SER A 109 9.991 -0.332 7.958 1.00 0.00 C ATOM 1711 C SER A 109 11.463 -0.727 7.920 1.00 0.00 C ATOM 1712 O SER A 109 12.314 -0.044 8.489 1.00 0.00 O ATOM 1713 CB SER A 109 9.334 -0.858 9.234 1.00 0.00 C ATOM 1714 OG SER A 109 9.428 0.088 10.285 1.00 0.00 O ATOM 0 H SER A 109 8.707 -1.660 6.976 1.00 0.00 H new ATOM 0 HA SER A 109 9.928 0.756 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.286 -1.087 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.813 -1.790 9.536 1.00 0.00 H new ATOM 0 HG SER A 109 8.999 -0.272 11.089 1.00 0.00 H new ATOM 1720 N ARG A 110 11.757 -1.833 7.242 1.00 0.00 N ATOM 1721 CA ARG A 110 13.127 -2.315 7.124 1.00 0.00 C ATOM 1722 C ARG A 110 13.747 -1.860 5.804 1.00 0.00 C ATOM 1723 O ARG A 110 14.923 -1.503 5.751 1.00 0.00 O ATOM 1724 CB ARG A 110 13.163 -3.845 7.248 1.00 0.00 C ATOM 1725 CG ARG A 110 12.909 -4.591 5.944 1.00 0.00 C ATOM 1726 CD ARG A 110 13.126 -6.086 6.108 1.00 0.00 C ATOM 1727 NE ARG A 110 12.749 -6.829 4.907 1.00 0.00 N ATOM 1728 CZ ARG A 110 12.683 -8.157 4.847 1.00 0.00 C ATOM 1729 NH1 ARG A 110 12.968 -8.891 5.915 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.331 -8.752 3.716 1.00 0.00 N ATOM 0 H ARG A 110 11.064 -2.411 6.767 1.00 0.00 H new ATOM 0 HA ARG A 110 13.717 -1.890 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.136 -4.142 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.418 -4.155 7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.888 -4.405 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.573 -4.208 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.174 -6.277 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.543 -6.446 6.955 1.00 0.00 H new ATOM 0 HE ARG A 110 12.523 -6.299 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.239 -8.438 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.916 -9.908 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.111 -8.192 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.280 -9.770 3.669 1.00 0.00 H new ATOM 1744 N TYR A 111 12.946 -1.872 4.741 1.00 0.00 N ATOM 1745 CA TYR A 111 13.418 -1.456 3.427 1.00 0.00 C ATOM 1746 C TYR A 111 13.760 0.030 3.423 1.00 0.00 C ATOM 1747 O TYR A 111 14.701 0.459 2.757 1.00 0.00 O ATOM 1748 CB TYR A 111 12.358 -1.757 2.363 1.00 0.00 C ATOM 1749 CG TYR A 111 12.685 -2.953 1.492 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.442 -4.011 1.981 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.235 -3.021 0.180 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.741 -5.102 1.187 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.530 -4.109 -0.621 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.282 -5.146 -0.113 1.00 0.00 C ATOM 1755 OH TYR A 111 13.578 -6.230 -0.908 1.00 0.00 O ATOM 0 H TYR A 111 11.969 -2.165 4.766 1.00 0.00 H new ATOM 0 HA TYR A 111 14.322 -2.018 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.401 -1.930 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.236 -0.880 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.803 -3.980 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.645 -2.211 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.331 -5.916 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.173 -4.146 -1.640 1.00 0.00 H new ATOM 0 HH TYR A 111 14.261 -5.978 -1.564 1.00 0.00 H new ATOM 1765 N LYS A 112 12.992 0.809 4.176 1.00 0.00 N ATOM 1766 CA LYS A 112 13.208 2.245 4.271 1.00 0.00 C ATOM 1767 C LYS A 112 14.616 2.555 4.762 1.00 0.00 C ATOM 1768 O LYS A 112 15.349 3.329 4.146 1.00 0.00 O ATOM 1769 CB LYS A 112 12.186 2.852 5.227 1.00 0.00 C ATOM 1770 CG LYS A 112 10.860 3.172 4.570 1.00 0.00 C ATOM 1771 CD LYS A 112 10.839 4.598 4.063 1.00 0.00 C ATOM 1772 CE LYS A 112 11.852 4.805 2.949 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.777 6.178 2.377 1.00 0.00 N ATOM 0 H LYS A 112 12.209 0.466 4.733 1.00 0.00 H new ATOM 0 HA LYS A 112 13.089 2.678 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.016 2.160 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.599 3.765 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.684 2.485 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.050 3.024 5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.841 4.842 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.055 5.281 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.856 4.627 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.678 4.073 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.484 6.278 1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.827 6.340 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.968 6.876 3.124 1.00 0.00 H new ATOM 1787 N ASP A 113 14.979 1.946 5.884 1.00 0.00 N ATOM 1788 CA ASP A 113 16.293 2.148 6.486 1.00 0.00 C ATOM 1789 C ASP A 113 17.408 1.501 5.669 1.00 0.00 C ATOM 1790 O ASP A 113 18.580 1.587 6.034 1.00 0.00 O ATOM 1791 CB ASP A 113 16.306 1.595 7.913 1.00 0.00 C ATOM 1792 CG ASP A 113 16.872 2.586 8.911 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.574 3.526 8.483 1.00 0.00 O ATOM 1794 OD2 ASP A 113 16.611 2.423 10.122 1.00 0.00 O ATOM 0 H ASP A 113 14.378 1.303 6.399 1.00 0.00 H new ATOM 0 HA ASP A 113 16.481 3.222 6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.290 1.328 8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.896 0.679 7.940 1.00 0.00 H new ATOM 1799 N ALA A 114 17.047 0.849 4.572 1.00 0.00 N ATOM 1800 CA ALA A 114 18.028 0.190 3.727 1.00 0.00 C ATOM 1801 C ALA A 114 18.073 0.810 2.333 1.00 0.00 C ATOM 1802 O ALA A 114 19.118 0.823 1.683 1.00 0.00 O ATOM 1803 CB ALA A 114 17.705 -1.287 3.646 1.00 0.00 C ATOM 0 H ALA A 114 16.083 0.764 4.249 1.00 0.00 H new ATOM 0 HA ALA A 114 19.015 0.323 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 114 18.439 -1.786 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 114 17.734 -1.721 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.710 -1.419 3.221 1.00 0.00 H new ATOM 1809 N ASP A 115 16.934 1.323 1.880 1.00 0.00 N ATOM 1810 CA ASP A 115 16.843 1.945 0.564 1.00 0.00 C ATOM 1811 C ASP A 115 17.834 3.098 0.435 1.00 0.00 C ATOM 1812 O ASP A 115 18.919 2.883 -0.146 1.00 0.00 O ATOM 1813 CB ASP A 115 15.419 2.448 0.313 1.00 0.00 C ATOM 1814 CG ASP A 115 14.904 2.063 -1.059 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.091 0.895 -1.458 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.313 2.931 -1.737 1.00 0.00 O ATOM 1817 OXT ASP A 115 17.517 4.206 0.916 1.00 0.00 O ATOM 0 H ASP A 115 16.060 1.320 2.406 1.00 0.00 H new ATOM 0 HA ASP A 115 17.093 1.193 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.754 2.042 1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 115 15.396 3.533 0.415 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N PRO B 59 -29.085 -4.719 0.559 1.00 0.00 N ATOM 1824 CA PRO B 59 -29.101 -3.739 -0.561 1.00 0.00 C ATOM 1825 C PRO B 59 -28.123 -2.590 -0.323 1.00 0.00 C ATOM 1826 O PRO B 59 -28.422 -1.649 0.412 1.00 0.00 O ATOM 1827 CB PRO B 59 -30.527 -3.210 -0.689 1.00 0.00 C ATOM 1828 CG PRO B 59 -31.247 -3.798 0.477 1.00 0.00 C ATOM 1829 CD PRO B 59 -30.488 -5.046 0.861 1.00 0.00 C ATOM 0 HA PRO B 59 -28.785 -4.230 -1.481 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -30.551 -2.121 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -30.981 -3.516 -1.632 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -31.282 -3.093 1.308 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -32.279 -4.035 0.217 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -30.623 -5.286 1.915 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -30.828 -5.911 0.291 1.00 0.00 H new ATOM 1837 N GLY B 60 -26.955 -2.674 -0.951 1.00 0.00 N ATOM 1838 CA GLY B 60 -25.953 -1.636 -0.795 1.00 0.00 C ATOM 1839 C GLY B 60 -24.539 -2.180 -0.863 1.00 0.00 C ATOM 1840 O GLY B 60 -24.179 -3.086 -0.112 1.00 0.00 O ATOM 0 H GLY B 60 -26.684 -3.442 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -26.088 -0.885 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -26.100 -1.134 0.161 1.00 0.00 H new ATOM 1844 N GLU B 61 -23.737 -1.626 -1.766 1.00 0.00 N ATOM 1845 CA GLU B 61 -22.354 -2.061 -1.930 1.00 0.00 C ATOM 1846 C GLU B 61 -21.495 -0.940 -2.507 1.00 0.00 C ATOM 1847 O GLU B 61 -21.365 -0.809 -3.724 1.00 0.00 O ATOM 1848 CB GLU B 61 -22.289 -3.289 -2.839 1.00 0.00 C ATOM 1849 CG GLU B 61 -20.919 -3.945 -2.879 1.00 0.00 C ATOM 1850 CD GLU B 61 -20.995 -5.459 -2.839 1.00 0.00 C ATOM 1851 OE1 GLU B 61 -21.343 -6.063 -3.875 1.00 0.00 O ATOM 1852 OE2 GLU B 61 -20.707 -6.040 -1.772 1.00 0.00 O ATOM 0 H GLU B 61 -24.020 -0.875 -2.395 1.00 0.00 H new ATOM 0 HA GLU B 61 -21.963 -2.324 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -23.023 -4.020 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -22.573 -2.997 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -20.398 -3.635 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -20.327 -3.592 -2.035 1.00 0.00 H new ATOM 1859 N GLU B 62 -20.911 -0.136 -1.625 1.00 0.00 N ATOM 1860 CA GLU B 62 -20.064 0.974 -2.046 1.00 0.00 C ATOM 1861 C GLU B 62 -19.459 1.685 -0.840 1.00 0.00 C ATOM 1862 O GLU B 62 -20.112 1.841 0.192 1.00 0.00 O ATOM 1863 CB GLU B 62 -20.869 1.968 -2.886 1.00 0.00 C ATOM 1864 CG GLU B 62 -20.008 2.861 -3.764 1.00 0.00 C ATOM 1865 CD GLU B 62 -20.822 3.639 -4.780 1.00 0.00 C ATOM 1866 OE1 GLU B 62 -21.986 3.258 -5.027 1.00 0.00 O ATOM 1867 OE2 GLU B 62 -20.295 4.629 -5.330 1.00 0.00 O ATOM 0 H GLU B 62 -21.009 -0.232 -0.614 1.00 0.00 H new ATOM 0 HA GLU B 62 -19.253 0.569 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -21.566 1.417 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -21.466 2.593 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -19.456 3.559 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -19.271 2.250 -4.285 1.00 0.00 H new ATOM 1874 N GLU B 63 -18.209 2.114 -0.976 1.00 0.00 N ATOM 1875 CA GLU B 63 -17.519 2.810 0.105 1.00 0.00 C ATOM 1876 C GLU B 63 -17.374 4.293 -0.206 1.00 0.00 C ATOM 1877 O GLU B 63 -16.362 4.912 0.123 1.00 0.00 O ATOM 1878 CB GLU B 63 -16.139 2.196 0.348 1.00 0.00 C ATOM 1879 CG GLU B 63 -15.425 1.772 -0.925 1.00 0.00 C ATOM 1880 CD GLU B 63 -14.044 1.205 -0.658 1.00 0.00 C ATOM 1881 OE1 GLU B 63 -13.955 0.136 -0.018 1.00 0.00 O ATOM 1882 OE2 GLU B 63 -13.052 1.830 -1.087 1.00 0.00 O ATOM 0 H GLU B 63 -17.653 1.993 -1.823 1.00 0.00 H new ATOM 0 HA GLU B 63 -18.121 2.700 1.007 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -15.518 2.918 0.879 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -16.247 1.329 0.999 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -16.026 1.025 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -15.339 2.630 -1.592 1.00 0.00 H new ATOM 1889 N ASP B 64 -18.395 4.860 -0.835 1.00 0.00 N ATOM 1890 CA ASP B 64 -18.383 6.273 -1.183 1.00 0.00 C ATOM 1891 C ASP B 64 -19.090 7.095 -0.112 1.00 0.00 C ATOM 1892 O ASP B 64 -19.759 8.082 -0.416 1.00 0.00 O ATOM 1893 CB ASP B 64 -19.055 6.493 -2.540 1.00 0.00 C ATOM 1894 CG ASP B 64 -18.075 6.403 -3.694 1.00 0.00 C ATOM 1895 OD1 ASP B 64 -16.852 6.414 -3.438 1.00 0.00 O ATOM 1896 OD2 ASP B 64 -18.530 6.321 -4.854 1.00 0.00 O ATOM 0 H ASP B 64 -19.241 4.363 -1.114 1.00 0.00 H new ATOM 0 HA ASP B 64 -17.345 6.601 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -19.842 5.751 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP B 64 -19.535 7.472 -2.550 1.00 0.00 H new ATOM 1901 N ASP B 65 -18.938 6.684 1.144 1.00 0.00 N ATOM 1902 CA ASP B 65 -19.566 7.389 2.252 1.00 0.00 C ATOM 1903 C ASP B 65 -18.986 6.942 3.589 1.00 0.00 C ATOM 1904 O ASP B 65 -19.685 6.359 4.418 1.00 0.00 O ATOM 1905 CB ASP B 65 -21.080 7.164 2.234 1.00 0.00 C ATOM 1906 CG ASP B 65 -21.843 8.312 2.866 1.00 0.00 C ATOM 1907 OD1 ASP B 65 -21.970 8.327 4.109 1.00 0.00 O ATOM 1908 OD2 ASP B 65 -22.313 9.195 2.119 1.00 0.00 O ATOM 0 H ASP B 65 -18.388 5.870 1.417 1.00 0.00 H new ATOM 0 HA ASP B 65 -19.362 8.453 2.132 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -21.413 7.033 1.204 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -21.314 6.241 2.764 1.00 0.00 H new ATOM 1913 N GLU B 66 -17.700 7.224 3.792 1.00 0.00 N ATOM 1914 CA GLU B 66 -17.012 6.858 5.029 1.00 0.00 C ATOM 1915 C GLU B 66 -17.361 5.436 5.462 1.00 0.00 C ATOM 1916 O GLU B 66 -17.630 5.182 6.637 1.00 0.00 O ATOM 1917 CB GLU B 66 -17.364 7.847 6.144 1.00 0.00 C ATOM 1918 CG GLU B 66 -18.830 7.820 6.546 1.00 0.00 C ATOM 1919 CD GLU B 66 -19.071 8.434 7.911 1.00 0.00 C ATOM 1920 OE1 GLU B 66 -19.201 9.674 7.990 1.00 0.00 O ATOM 1921 OE2 GLU B 66 -19.129 7.675 8.901 1.00 0.00 O ATOM 0 H GLU B 66 -17.112 7.707 3.113 1.00 0.00 H new ATOM 0 HA GLU B 66 -15.940 6.899 4.838 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -16.753 7.627 7.019 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -17.104 8.854 5.819 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -19.417 8.357 5.801 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -19.184 6.789 6.548 1.00 0.00 H new ATOM 1928 N ARG B 67 -17.351 4.511 4.508 1.00 0.00 N ATOM 1929 CA ARG B 67 -17.662 3.120 4.791 1.00 0.00 C ATOM 1930 C ARG B 67 -16.853 2.197 3.889 1.00 0.00 C ATOM 1931 O ARG B 67 -17.339 1.738 2.856 1.00 0.00 O ATOM 1932 CB ARG B 67 -19.158 2.853 4.606 1.00 0.00 C ATOM 1933 CG ARG B 67 -20.043 3.593 5.599 1.00 0.00 C ATOM 1934 CD ARG B 67 -20.135 2.856 6.926 1.00 0.00 C ATOM 1935 NE ARG B 67 -21.509 2.475 7.246 1.00 0.00 N ATOM 1936 CZ ARG B 67 -21.902 2.058 8.447 1.00 0.00 C ATOM 1937 NH1 ARG B 67 -21.031 1.969 9.445 1.00 0.00 N ATOM 1938 NH2 ARG B 67 -23.170 1.729 8.652 1.00 0.00 N ATOM 0 H ARG B 67 -17.130 4.703 3.531 1.00 0.00 H new ATOM 0 HA ARG B 67 -17.397 2.918 5.829 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -19.446 3.139 3.594 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -19.340 1.782 4.699 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -19.646 4.594 5.765 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -21.042 3.712 5.179 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -19.510 1.963 6.889 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -19.740 3.489 7.721 1.00 0.00 H new ATOM 0 HE ARG B 67 -22.208 2.532 6.505 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -20.054 2.221 9.293 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -21.339 1.649 10.363 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -23.844 1.796 7.889 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -23.472 1.409 9.572 1.00 0.00 H new ATOM 1952 N GLY B 68 -15.612 1.941 4.282 1.00 0.00 N ATOM 1953 CA GLY B 68 -14.743 1.086 3.494 1.00 0.00 C ATOM 1954 C GLY B 68 -13.666 1.880 2.777 1.00 0.00 C ATOM 1955 O GLY B 68 -12.732 1.307 2.217 1.00 0.00 O ATOM 0 H GLY B 68 -15.190 2.311 5.134 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -14.276 0.345 4.144 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -15.338 0.539 2.763 1.00 0.00 H new ATOM 1959 N ALA B 69 -13.797 3.206 2.799 1.00 0.00 N ATOM 1960 CA ALA B 69 -12.829 4.084 2.154 1.00 0.00 C ATOM 1961 C ALA B 69 -12.566 5.318 3.012 1.00 0.00 C ATOM 1962 O ALA B 69 -12.672 6.451 2.541 1.00 0.00 O ATOM 1963 CB ALA B 69 -13.321 4.489 0.772 1.00 0.00 C ATOM 0 H ALA B 69 -14.566 3.694 3.258 1.00 0.00 H new ATOM 0 HA ALA B 69 -11.891 3.540 2.043 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -12.588 5.145 0.302 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -13.457 3.598 0.159 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -14.271 5.015 0.864 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.228 5.088 4.277 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.955 6.176 5.209 1.00 0.00 C ATOM 1971 C ASP B 70 -10.945 5.744 6.260 1.00 0.00 C ATOM 1972 O ASP B 70 -9.797 6.189 6.260 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.252 6.633 5.877 1.00 0.00 C ATOM 1974 CG ASP B 70 -13.151 8.038 6.437 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.558 8.204 7.523 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -13.665 8.974 5.788 1.00 0.00 O ATOM 0 H ASP B 70 -12.137 4.156 4.681 1.00 0.00 H new ATOM 0 HA ASP B 70 -11.531 7.011 4.651 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -14.065 6.592 5.152 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.506 5.942 6.681 1.00 0.00 H new ATOM 1981 N ALA B 71 -11.383 4.865 7.144 1.00 0.00 N ATOM 1982 CA ALA B 71 -10.529 4.344 8.205 1.00 0.00 C ATOM 1983 C ALA B 71 -9.312 3.657 7.615 1.00 0.00 C ATOM 1984 O ALA B 71 -9.327 2.451 7.372 1.00 0.00 O ATOM 1985 CB ALA B 71 -11.306 3.365 9.064 1.00 0.00 C ATOM 0 H ALA B 71 -12.333 4.493 7.150 1.00 0.00 H new ATOM 0 HA ALA B 71 -10.196 5.178 8.824 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.660 2.981 9.854 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -12.162 3.872 9.510 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.655 2.537 8.447 1.00 0.00 H new ATOM 1991 N THR B 72 -8.264 4.428 7.367 1.00 0.00 N ATOM 1992 CA THR B 72 -7.055 3.874 6.783 1.00 0.00 C ATOM 1993 C THR B 72 -5.880 4.828 6.912 1.00 0.00 C ATOM 1994 O THR B 72 -4.959 4.598 7.694 1.00 0.00 O ATOM 1995 CB THR B 72 -7.300 3.539 5.315 1.00 0.00 C ATOM 1996 OG1 THR B 72 -8.675 3.650 5.000 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.842 2.146 4.937 1.00 0.00 C ATOM 0 H THR B 72 -8.227 5.429 7.559 1.00 0.00 H new ATOM 0 HA THR B 72 -6.803 2.965 7.330 1.00 0.00 H new ATOM 0 HB THR B 72 -6.711 4.259 4.747 1.00 0.00 H new ATOM 0 HG1 THR B 72 -8.900 4.591 4.845 1.00 0.00 H new ATOM 0 HG21 THR B 72 -7.045 1.971 3.880 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.772 2.052 5.122 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.379 1.411 5.536 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.914 5.890 6.129 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.844 6.877 6.143 1.00 0.00 C ATOM 2007 C TRP B 73 -4.787 7.573 7.497 1.00 0.00 C ATOM 2008 O TRP B 73 -5.228 8.713 7.642 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.036 7.906 5.026 1.00 0.00 C ATOM 2010 CG TRP B 73 -5.488 7.322 3.715 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -6.075 8.002 2.692 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.396 5.957 3.283 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -6.356 7.151 1.652 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -5.950 5.889 1.990 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -4.902 4.788 3.858 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -6.020 4.699 1.272 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -4.975 3.608 3.148 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -5.529 3.570 1.868 1.00 0.00 C ATOM 0 H TRP B 73 -6.669 6.094 5.475 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.900 6.360 5.972 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.767 8.646 5.352 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.096 8.434 4.870 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -6.289 9.061 2.698 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -6.796 7.416 0.771 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.468 4.806 4.847 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -6.446 4.668 0.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.597 2.698 3.590 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -5.571 2.630 1.337 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.248 6.870 8.486 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.137 7.403 9.838 1.00 0.00 C ATOM 2031 C ASP B 74 -3.449 6.406 10.765 1.00 0.00 C ATOM 2032 O ASP B 74 -2.747 6.789 11.700 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.525 7.752 10.384 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.483 8.882 11.394 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.554 9.713 11.318 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -6.380 8.935 12.263 1.00 0.00 O ATOM 0 H ASP B 74 -3.880 5.925 8.376 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.530 8.307 9.796 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.178 8.032 9.557 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.962 6.868 10.850 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.660 5.125 10.494 1.00 0.00 N ATOM 2042 CA LEU B 75 -3.069 4.060 11.294 1.00 0.00 C ATOM 2043 C LEU B 75 -1.751 3.565 10.707 1.00 0.00 C ATOM 2044 O LEU B 75 -1.351 2.423 10.936 1.00 0.00 O ATOM 2045 CB LEU B 75 -4.036 2.928 11.444 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.208 2.073 10.219 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.279 0.642 10.659 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -5.449 2.521 9.484 1.00 0.00 C ATOM 0 H LEU B 75 -4.240 4.797 9.722 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.847 4.473 12.278 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.706 2.295 12.267 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -5.008 3.335 11.724 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.370 2.172 9.529 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.404 -0.001 9.788 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -3.358 0.375 11.178 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -5.126 0.510 11.332 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.585 1.908 8.593 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -6.317 2.412 10.135 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -5.342 3.566 9.193 1.00 0.00 H new ATOM 2060 N ASP B 76 -1.079 4.426 9.951 1.00 0.00 N ATOM 2061 CA ASP B 76 0.193 4.069 9.336 1.00 0.00 C ATOM 2062 C ASP B 76 1.061 5.307 9.124 1.00 0.00 C ATOM 2063 O ASP B 76 0.822 6.353 9.726 1.00 0.00 O ATOM 2064 CB ASP B 76 -0.046 3.353 8.004 1.00 0.00 C ATOM 2065 CG ASP B 76 0.736 2.059 7.899 1.00 0.00 C ATOM 2066 OD1 ASP B 76 1.977 2.123 7.775 1.00 0.00 O ATOM 2067 OD2 ASP B 76 0.107 0.980 7.942 1.00 0.00 O ATOM 0 H ASP B 76 -1.394 5.375 9.750 1.00 0.00 H new ATOM 0 HA ASP B 76 0.721 3.394 10.009 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -1.110 3.142 7.893 1.00 0.00 H new ATOM 0 HB3 ASP B 76 0.236 4.013 7.183 1.00 0.00 H new ATOM 2072 N LEU B 77 2.071 5.181 8.267 1.00 0.00 N ATOM 2073 CA LEU B 77 2.973 6.289 7.978 1.00 0.00 C ATOM 2074 C LEU B 77 3.736 6.711 9.230 1.00 0.00 C ATOM 2075 O LEU B 77 3.494 7.782 9.789 1.00 0.00 O ATOM 2076 CB LEU B 77 2.191 7.477 7.410 1.00 0.00 C ATOM 2077 CG LEU B 77 2.051 7.481 5.886 1.00 0.00 C ATOM 2078 CD1 LEU B 77 0.634 7.111 5.476 1.00 0.00 C ATOM 2079 CD2 LEU B 77 2.435 8.840 5.317 1.00 0.00 C ATOM 0 H LEU B 77 2.284 4.321 7.761 1.00 0.00 H new ATOM 0 HA LEU B 77 3.696 5.954 7.234 1.00 0.00 H new ATOM 0 HB2 LEU B 77 1.195 7.484 7.853 1.00 0.00 H new ATOM 0 HB3 LEU B 77 2.683 8.399 7.718 1.00 0.00 H new ATOM 0 HG LEU B 77 2.731 6.733 5.478 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.556 7.120 4.389 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.396 6.115 5.849 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.066 7.833 5.896 1.00 0.00 H new ATOM 0 HD21 LEU B 77 2.329 8.823 4.232 1.00 0.00 H new ATOM 0 HD22 LEU B 77 1.782 9.607 5.734 1.00 0.00 H new ATOM 0 HD23 LEU B 77 3.469 9.064 5.577 1.00 0.00 H new ATOM 2091 N LEU B 78 4.661 5.860 9.665 1.00 0.00 N ATOM 2092 CA LEU B 78 5.463 6.139 10.850 1.00 0.00 C ATOM 2093 C LEU B 78 6.495 5.037 11.080 1.00 0.00 C ATOM 2094 O LEU B 78 6.529 4.415 12.142 1.00 0.00 O ATOM 2095 CB LEU B 78 4.561 6.280 12.078 1.00 0.00 C ATOM 2096 CG LEU B 78 3.400 5.287 12.147 1.00 0.00 C ATOM 2097 CD1 LEU B 78 3.881 3.937 12.653 1.00 0.00 C ATOM 2098 CD2 LEU B 78 2.291 5.828 13.037 1.00 0.00 C ATOM 0 H LEU B 78 4.873 4.970 9.213 1.00 0.00 H new ATOM 0 HA LEU B 78 5.993 7.078 10.690 1.00 0.00 H new ATOM 0 HB2 LEU B 78 5.172 6.164 12.973 1.00 0.00 H new ATOM 0 HB3 LEU B 78 4.155 7.292 12.098 1.00 0.00 H new ATOM 0 HG LEU B 78 3.001 5.153 11.142 1.00 0.00 H new ATOM 0 HD11 LEU B 78 3.041 3.244 12.695 1.00 0.00 H new ATOM 0 HD12 LEU B 78 4.641 3.545 11.977 1.00 0.00 H new ATOM 0 HD13 LEU B 78 4.306 4.053 13.650 1.00 0.00 H new ATOM 0 HD21 LEU B 78 1.472 5.109 13.076 1.00 0.00 H new ATOM 0 HD22 LEU B 78 2.678 5.991 14.043 1.00 0.00 H new ATOM 0 HD23 LEU B 78 1.927 6.772 12.631 1.00 0.00 H new ATOM 2110 N LEU B 79 7.334 4.801 10.077 1.00 0.00 N ATOM 2111 CA LEU B 79 8.366 3.774 10.169 1.00 0.00 C ATOM 2112 C LEU B 79 9.739 4.404 10.388 1.00 0.00 C ATOM 2113 O LEU B 79 9.844 5.568 10.775 1.00 0.00 O ATOM 2114 CB LEU B 79 8.374 2.919 8.899 1.00 0.00 C ATOM 2115 CG LEU B 79 6.992 2.564 8.348 1.00 0.00 C ATOM 2116 CD1 LEU B 79 6.556 3.581 7.304 1.00 0.00 C ATOM 2117 CD2 LEU B 79 6.997 1.162 7.759 1.00 0.00 C ATOM 0 H LEU B 79 7.320 5.307 9.191 1.00 0.00 H new ATOM 0 HA LEU B 79 8.141 3.137 11.024 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.931 3.449 8.126 1.00 0.00 H new ATOM 0 HB3 LEU B 79 8.914 1.995 9.105 1.00 0.00 H new ATOM 0 HG LEU B 79 6.277 2.589 9.170 1.00 0.00 H new ATOM 0 HD11 LEU B 79 5.571 3.312 6.923 1.00 0.00 H new ATOM 0 HD12 LEU B 79 6.512 4.571 7.757 1.00 0.00 H new ATOM 0 HD13 LEU B 79 7.272 3.589 6.483 1.00 0.00 H new ATOM 0 HD21 LEU B 79 6.006 0.926 7.372 1.00 0.00 H new ATOM 0 HD22 LEU B 79 7.725 1.110 6.949 1.00 0.00 H new ATOM 0 HD23 LEU B 79 7.264 0.443 8.533 1.00 0.00 H new ATOM 2129 N THR B 80 10.792 3.627 10.140 1.00 0.00 N ATOM 2130 CA THR B 80 12.161 4.107 10.310 1.00 0.00 C ATOM 2131 C THR B 80 12.352 5.476 9.661 1.00 0.00 C ATOM 2132 O THR B 80 12.577 5.576 8.455 1.00 0.00 O ATOM 2133 CB THR B 80 13.148 3.106 9.708 1.00 0.00 C ATOM 2134 OG1 THR B 80 14.465 3.627 9.727 1.00 0.00 O ATOM 2135 CG2 THR B 80 12.822 2.734 8.278 1.00 0.00 C ATOM 0 H THR B 80 10.722 2.661 9.820 1.00 0.00 H new ATOM 0 HA THR B 80 12.352 4.206 11.379 1.00 0.00 H new ATOM 0 HB THR B 80 13.069 2.212 10.327 1.00 0.00 H new ATOM 0 HG1 THR B 80 15.001 3.139 10.387 1.00 0.00 H new ATOM 0 HG21 THR B 80 13.560 2.021 7.910 1.00 0.00 H new ATOM 0 HG22 THR B 80 11.830 2.284 8.236 1.00 0.00 H new ATOM 0 HG23 THR B 80 12.841 3.629 7.656 1.00 0.00 H new ATOM 2143 N ASN B 81 12.260 6.526 10.471 1.00 0.00 N ATOM 2144 CA ASN B 81 12.422 7.888 9.976 1.00 0.00 C ATOM 2145 C ASN B 81 12.866 8.823 11.097 1.00 0.00 C ATOM 2146 O ASN B 81 13.785 9.623 10.923 1.00 0.00 O ATOM 2147 CB ASN B 81 11.113 8.390 9.365 1.00 0.00 C ATOM 2148 CG ASN B 81 10.887 7.855 7.964 1.00 0.00 C ATOM 2149 OD1 ASN B 81 11.664 8.128 7.050 1.00 0.00 O ATOM 2150 ND2 ASN B 81 9.817 7.088 7.790 1.00 0.00 N ATOM 0 H ASN B 81 12.074 6.460 11.472 1.00 0.00 H new ATOM 0 HA ASN B 81 13.194 7.880 9.206 1.00 0.00 H new ATOM 0 HB2 ASN B 81 10.280 8.094 10.003 1.00 0.00 H new ATOM 0 HB3 ASN B 81 11.122 9.480 9.338 1.00 0.00 H new ATOM 0 HD21 ASN B 81 9.612 6.699 6.869 1.00 0.00 H new ATOM 0 HD22 ASN B 81 9.200 6.888 8.577 1.00 0.00 H new ATOM 2157 N PHE B 82 12.206 8.717 12.245 1.00 0.00 N ATOM 2158 CA PHE B 82 12.533 9.554 13.394 1.00 0.00 C ATOM 2159 C PHE B 82 12.523 8.737 14.683 1.00 0.00 C ATOM 2160 O PHE B 82 12.205 9.254 15.754 1.00 0.00 O ATOM 2161 CB PHE B 82 11.543 10.714 13.505 1.00 0.00 C ATOM 2162 CG PHE B 82 11.685 11.732 12.409 1.00 0.00 C ATOM 2163 CD1 PHE B 82 12.674 12.700 12.469 1.00 0.00 C ATOM 2164 CD2 PHE B 82 10.831 11.718 11.318 1.00 0.00 C ATOM 2165 CE1 PHE B 82 12.808 13.637 11.462 1.00 0.00 C ATOM 2166 CE2 PHE B 82 10.959 12.653 10.308 1.00 0.00 C ATOM 2167 CZ PHE B 82 11.949 13.614 10.380 1.00 0.00 C ATOM 0 H PHE B 82 11.442 8.060 12.405 1.00 0.00 H new ATOM 0 HA PHE B 82 13.536 9.954 13.246 1.00 0.00 H new ATOM 0 HB2 PHE B 82 10.528 10.317 13.492 1.00 0.00 H new ATOM 0 HB3 PHE B 82 11.680 11.207 14.467 1.00 0.00 H new ATOM 0 HD1 PHE B 82 13.348 12.723 13.312 1.00 0.00 H new ATOM 0 HD2 PHE B 82 10.056 10.968 11.256 1.00 0.00 H new ATOM 0 HE1 PHE B 82 13.583 14.386 11.521 1.00 0.00 H new ATOM 0 HE2 PHE B 82 10.286 12.632 9.464 1.00 0.00 H new ATOM 0 HZ PHE B 82 12.051 14.346 9.592 1.00 0.00 H new ATOM 2177 N SER B 83 12.873 7.460 14.571 1.00 0.00 N ATOM 2178 CA SER B 83 12.904 6.572 15.728 1.00 0.00 C ATOM 2179 C SER B 83 13.412 5.188 15.338 1.00 0.00 C ATOM 2180 O SER B 83 12.931 4.174 15.843 1.00 0.00 O ATOM 2181 CB SER B 83 11.510 6.461 16.349 1.00 0.00 C ATOM 2182 OG SER B 83 11.298 7.477 17.314 1.00 0.00 O ATOM 0 H SER B 83 13.139 7.017 13.692 1.00 0.00 H new ATOM 0 HA SER B 83 13.589 6.996 16.463 1.00 0.00 H new ATOM 0 HB2 SER B 83 10.754 6.534 15.567 1.00 0.00 H new ATOM 0 HB3 SER B 83 11.393 5.483 16.815 1.00 0.00 H new ATOM 0 HG SER B 83 11.687 8.318 16.994 1.00 0.00 H new ATOM 2188 N GLY B 84 14.389 5.154 14.437 1.00 0.00 N ATOM 2189 CA GLY B 84 14.946 3.889 13.996 1.00 0.00 C ATOM 2190 C GLY B 84 15.756 3.201 15.079 1.00 0.00 C ATOM 2191 O GLY B 84 15.234 2.353 15.802 1.00 0.00 O ATOM 0 H GLY B 84 14.804 5.979 14.005 1.00 0.00 H new ATOM 0 HA2 GLY B 84 14.137 3.231 13.678 1.00 0.00 H new ATOM 0 HA3 GLY B 84 15.580 4.059 13.125 1.00 0.00 H new ATOM 2195 N PRO B 85 17.047 3.550 15.218 1.00 0.00 N ATOM 2196 CA PRO B 85 17.922 2.950 16.231 1.00 0.00 C ATOM 2197 C PRO B 85 17.552 3.385 17.645 1.00 0.00 C ATOM 2198 O PRO B 85 18.427 3.308 18.534 1.00 0.00 O ATOM 2199 CB PRO B 85 19.310 3.473 15.857 1.00 0.00 C ATOM 2200 CG PRO B 85 19.052 4.749 15.132 1.00 0.00 C ATOM 2201 CD PRO B 85 17.753 4.553 14.400 1.00 0.00 C ATOM 0 HA PRO B 85 17.850 1.862 16.239 1.00 0.00 H new ATOM 0 HB2 PRO B 85 19.923 3.638 16.743 1.00 0.00 H new ATOM 0 HB3 PRO B 85 19.845 2.761 15.228 1.00 0.00 H new ATOM 0 HG2 PRO B 85 18.986 5.586 15.827 1.00 0.00 H new ATOM 0 HG3 PRO B 85 19.861 4.974 14.437 1.00 0.00 H new ATOM 0 HD2 PRO B 85 17.188 5.482 14.328 1.00 0.00 H new ATOM 0 HD3 PRO B 85 17.915 4.199 13.382 1.00 0.00 H new TER 2209 PRO B 85