USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1029 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 59 HIS : no HE2:sc= -5.54! C(o=-7.2!,f=-7.9!) USER MOD Set 1.2: A 92 HIS :FLIP no HD1:sc= -1.62 F(o=-8.7,f=-7.2) USER MOD Set 1.3: A 102 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 15 GLN : amide:sc= -1.25 K(o=-1.8,f=-12!) USER MOD Set 2.2: A 46 THR OG1 : rot -86:sc= -0.516 USER MOD Set 3.1: A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -1.37 (180deg=-1.96) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.19) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -165:sc= -3.92! USER MOD Single : A 41 TYR OH : rot 61:sc= -0.296 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= -4.17! (180deg=-4.61!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.846 F(o=-1.8!,f=-0.85) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.197 F(o=-1.3!,f=-0.2) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.99! C(o=-8.9!,f=-7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 112:sc= -1.37 USER MOD Single : A 64 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.3!) USER MOD Single : A 66 CYS SG : rot -61:sc= -0.977! USER MOD Single : A 67 SER OG : rot 180:sc= 0.0853 USER MOD Single : A 68 GLN : amide:sc= -1.02! C(o=-1!,f=-8.1!) USER MOD Single : A 71 SER OG : rot 160:sc= -0.506 USER MOD Single : A 78 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 80 GLN : amide:sc= -2.33! C(o=-2.3!,f=-5.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.2!) USER MOD Single : A 91 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 96 GLN : amide:sc= -3.86! C(o=-3.9!,f=-4.3!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.629 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.25 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 123:sc= 0.316 USER MOD Single : A 114 LYS NZ :NH3+ 172:sc= -0.446 (180deg=-1.07!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 155:sc= -0.0751 (180deg=-0.53) USER MOD Single : A 124 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-5!) USER MOD Single : A 128 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.92) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0436 F(o=-1.8,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 103.162 0.020 15.421 1.00 0.00 N ATOM 2 CA GLU A 1 104.311 -0.872 15.097 1.00 0.00 C ATOM 3 C GLU A 1 103.954 -2.316 15.454 1.00 0.00 C ATOM 4 O GLU A 1 103.892 -2.683 16.610 1.00 0.00 O ATOM 5 CB GLU A 1 105.537 -0.437 15.902 1.00 0.00 C ATOM 6 CG GLU A 1 106.734 -1.313 15.526 1.00 0.00 C ATOM 7 CD GLU A 1 108.033 -0.567 15.832 1.00 0.00 C ATOM 8 OE1 GLU A 1 108.908 -1.165 16.437 1.00 0.00 O ATOM 9 OE2 GLU A 1 108.130 0.591 15.459 1.00 0.00 O ATOM 0 H1 GLU A 1 103.405 1.002 15.178 1.00 0.00 H new ATOM 0 H2 GLU A 1 102.328 -0.276 14.874 1.00 0.00 H new ATOM 0 H3 GLU A 1 102.950 -0.043 16.437 1.00 0.00 H new ATOM 0 HA GLU A 1 104.532 -0.805 14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 1 105.763 0.610 15.702 1.00 0.00 H new ATOM 0 HB3 GLU A 1 105.333 -0.521 16.969 1.00 0.00 H new ATOM 0 HG2 GLU A 1 106.701 -2.249 16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 1 106.691 -1.570 14.468 1.00 0.00 H new ATOM 18 N HIS A 2 103.718 -3.139 14.469 1.00 0.00 N ATOM 19 CA HIS A 2 103.365 -4.559 14.752 1.00 0.00 C ATOM 20 C HIS A 2 102.940 -5.248 13.455 1.00 0.00 C ATOM 21 O HIS A 2 101.766 -5.390 13.174 1.00 0.00 O ATOM 22 CB HIS A 2 102.212 -4.606 15.757 1.00 0.00 C ATOM 23 CG HIS A 2 101.314 -3.416 15.550 1.00 0.00 C ATOM 24 ND1 HIS A 2 100.984 -2.549 16.582 1.00 0.00 N ATOM 25 CD2 HIS A 2 100.669 -2.937 14.436 1.00 0.00 C ATOM 26 CE1 HIS A 2 100.172 -1.603 16.074 1.00 0.00 C ATOM 27 NE2 HIS A 2 99.951 -1.796 14.773 1.00 0.00 N ATOM 0 H HIS A 2 103.754 -2.889 13.481 1.00 0.00 H new ATOM 0 HA HIS A 2 104.231 -5.073 15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 2 101.645 -5.528 15.632 1.00 0.00 H new ATOM 0 HB3 HIS A 2 102.603 -4.607 16.775 1.00 0.00 H new ATOM 0 HD2 HIS A 2 100.713 -3.378 13.451 1.00 0.00 H new ATOM 0 HE1 HIS A 2 99.752 -0.790 16.648 1.00 0.00 H new ATOM 0 HE2 HIS A 2 99.375 -1.225 14.154 1.00 0.00 H new ATOM 35 N PRO A 3 103.893 -5.675 12.668 1.00 0.00 N ATOM 36 CA PRO A 3 103.621 -6.364 11.374 1.00 0.00 C ATOM 37 C PRO A 3 102.597 -7.493 11.530 1.00 0.00 C ATOM 38 O PRO A 3 102.945 -8.627 11.797 1.00 0.00 O ATOM 39 CB PRO A 3 104.984 -6.926 10.966 1.00 0.00 C ATOM 40 CG PRO A 3 105.992 -6.060 11.648 1.00 0.00 C ATOM 41 CD PRO A 3 105.335 -5.545 12.930 1.00 0.00 C ATOM 0 HA PRO A 3 103.194 -5.688 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.088 -7.966 11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.112 -6.900 9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.896 -6.625 11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.288 -5.231 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.638 -6.132 13.797 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.612 -4.511 13.133 1.00 0.00 H new ATOM 49 N GLU A 4 101.337 -7.190 11.376 1.00 0.00 N ATOM 50 CA GLU A 4 100.292 -8.242 11.525 1.00 0.00 C ATOM 51 C GLU A 4 100.145 -9.023 10.218 1.00 0.00 C ATOM 52 O GLU A 4 99.945 -10.221 10.220 1.00 0.00 O ATOM 53 CB GLU A 4 98.956 -7.586 11.879 1.00 0.00 C ATOM 54 CG GLU A 4 99.082 -6.856 13.218 1.00 0.00 C ATOM 55 CD GLU A 4 97.712 -6.784 13.893 1.00 0.00 C ATOM 56 OE1 GLU A 4 97.022 -7.792 13.898 1.00 0.00 O ATOM 57 OE2 GLU A 4 97.375 -5.725 14.396 1.00 0.00 O ATOM 0 H GLU A 4 100.986 -6.259 11.153 1.00 0.00 H new ATOM 0 HA GLU A 4 100.587 -8.928 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.665 -6.885 11.097 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.172 -8.341 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.790 -7.377 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.474 -5.851 13.061 1.00 0.00 H new ATOM 64 N PHE A 5 100.239 -8.358 9.101 1.00 0.00 N ATOM 65 CA PHE A 5 100.097 -9.072 7.801 1.00 0.00 C ATOM 66 C PHE A 5 101.102 -10.224 7.738 1.00 0.00 C ATOM 67 O PHE A 5 100.951 -11.149 6.967 1.00 0.00 O ATOM 68 CB PHE A 5 100.350 -8.106 6.640 1.00 0.00 C ATOM 69 CG PHE A 5 99.794 -8.708 5.372 1.00 0.00 C ATOM 70 CD1 PHE A 5 100.658 -9.118 4.350 1.00 0.00 C ATOM 71 CD2 PHE A 5 98.414 -8.868 5.223 1.00 0.00 C ATOM 72 CE1 PHE A 5 100.141 -9.690 3.182 1.00 0.00 C ATOM 73 CE2 PHE A 5 97.897 -9.437 4.059 1.00 0.00 C ATOM 74 CZ PHE A 5 98.758 -9.850 3.037 1.00 0.00 C ATOM 0 H PHE A 5 100.407 -7.354 9.031 1.00 0.00 H new ATOM 0 HA PHE A 5 99.084 -9.466 7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.877 -7.145 6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.418 -7.919 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.725 -8.993 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.746 -8.551 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 5 100.808 -10.007 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.830 -9.559 3.947 1.00 0.00 H new ATOM 0 HZ PHE A 5 98.356 -10.292 2.137 1.00 0.00 H new ATOM 84 N LEU A 6 102.129 -10.176 8.544 1.00 0.00 N ATOM 85 CA LEU A 6 103.137 -11.271 8.527 1.00 0.00 C ATOM 86 C LEU A 6 102.652 -12.423 9.405 1.00 0.00 C ATOM 87 O LEU A 6 102.878 -13.580 9.112 1.00 0.00 O ATOM 88 CB LEU A 6 104.472 -10.746 9.060 1.00 0.00 C ATOM 89 CG LEU A 6 104.760 -9.371 8.456 1.00 0.00 C ATOM 90 CD1 LEU A 6 106.216 -8.988 8.730 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.522 -9.418 6.946 1.00 0.00 C ATOM 0 H LEU A 6 102.312 -9.427 9.212 1.00 0.00 H new ATOM 0 HA LEU A 6 103.271 -11.626 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.439 -10.677 10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.274 -11.440 8.809 1.00 0.00 H new ATOM 0 HG LEU A 6 104.098 -8.631 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.422 -8.008 8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.387 -8.955 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.878 -9.728 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.727 -8.438 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.184 -10.158 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.485 -9.691 6.749 1.00 0.00 H new ATOM 103 N LYS A 7 101.984 -12.117 10.483 1.00 0.00 N ATOM 104 CA LYS A 7 101.482 -13.190 11.381 1.00 0.00 C ATOM 105 C LYS A 7 100.081 -13.615 10.936 1.00 0.00 C ATOM 106 O LYS A 7 99.475 -14.495 11.512 1.00 0.00 O ATOM 107 CB LYS A 7 101.423 -12.668 12.819 1.00 0.00 C ATOM 108 CG LYS A 7 102.815 -12.199 13.251 1.00 0.00 C ATOM 109 CD LYS A 7 103.604 -13.383 13.822 1.00 0.00 C ATOM 110 CE LYS A 7 103.398 -13.455 15.336 1.00 0.00 C ATOM 111 NZ LYS A 7 101.964 -13.730 15.632 1.00 0.00 N ATOM 0 H LYS A 7 101.764 -11.166 10.780 1.00 0.00 H new ATOM 0 HA LYS A 7 102.154 -14.046 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 7 100.712 -11.844 12.889 1.00 0.00 H new ATOM 0 HB3 LYS A 7 101.069 -13.453 13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.346 -11.772 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 7 102.728 -11.412 14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.274 -14.311 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.664 -13.270 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 7 104.025 -14.239 15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.702 -12.517 15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 101.869 -14.061 16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 101.410 -12.859 15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 101.610 -14.462 14.984 1.00 0.00 H new ATOM 125 N ALA A 8 99.563 -12.994 9.910 1.00 0.00 N ATOM 126 CA ALA A 8 98.202 -13.360 9.427 1.00 0.00 C ATOM 127 C ALA A 8 98.054 -14.883 9.419 1.00 0.00 C ATOM 128 O ALA A 8 99.018 -15.610 9.544 1.00 0.00 O ATOM 129 CB ALA A 8 98.006 -12.823 8.007 1.00 0.00 C ATOM 0 H ALA A 8 100.024 -12.250 9.387 1.00 0.00 H new ATOM 0 HA ALA A 8 97.453 -12.926 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 8 97.011 -13.090 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.112 -11.738 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.756 -13.258 7.347 1.00 0.00 H new ATOM 135 N GLY A 9 96.852 -15.370 9.276 1.00 0.00 N ATOM 136 CA GLY A 9 96.643 -16.847 9.261 1.00 0.00 C ATOM 137 C GLY A 9 96.122 -17.302 10.625 1.00 0.00 C ATOM 138 O GLY A 9 96.844 -17.876 11.416 1.00 0.00 O ATOM 0 H GLY A 9 96.006 -14.810 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.932 -17.117 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.579 -17.355 9.029 1.00 0.00 H new ATOM 142 N LYS A 10 94.872 -17.053 10.908 1.00 0.00 N ATOM 143 CA LYS A 10 94.308 -17.471 12.219 1.00 0.00 C ATOM 144 C LYS A 10 92.861 -17.939 12.031 1.00 0.00 C ATOM 145 O LYS A 10 92.169 -18.239 12.984 1.00 0.00 O ATOM 146 CB LYS A 10 94.337 -16.290 13.190 1.00 0.00 C ATOM 147 CG LYS A 10 93.372 -15.205 12.706 1.00 0.00 C ATOM 148 CD LYS A 10 93.814 -13.846 13.252 1.00 0.00 C ATOM 149 CE LYS A 10 93.942 -13.924 14.774 1.00 0.00 C ATOM 150 NZ LYS A 10 94.041 -12.548 15.334 1.00 0.00 N ATOM 0 H LYS A 10 94.218 -16.578 10.286 1.00 0.00 H new ATOM 0 HA LYS A 10 94.905 -18.289 12.623 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.056 -16.621 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.348 -15.888 13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 10 93.352 -15.182 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 10 92.359 -15.430 13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 10 94.768 -13.558 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 10 93.091 -13.079 12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 10 93.079 -14.439 15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 10 94.824 -14.504 15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 94.128 -12.600 16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 94.877 -12.072 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 93.187 -12.010 15.085 1.00 0.00 H new ATOM 164 N GLU A 11 92.401 -18.009 10.812 1.00 0.00 N ATOM 165 CA GLU A 11 91.000 -18.462 10.573 1.00 0.00 C ATOM 166 C GLU A 11 90.773 -18.638 9.066 1.00 0.00 C ATOM 167 O GLU A 11 91.281 -17.880 8.265 1.00 0.00 O ATOM 168 CB GLU A 11 90.027 -17.414 11.116 1.00 0.00 C ATOM 169 CG GLU A 11 90.054 -16.175 10.220 1.00 0.00 C ATOM 170 CD GLU A 11 89.426 -14.993 10.961 1.00 0.00 C ATOM 171 OE1 GLU A 11 88.799 -14.175 10.310 1.00 0.00 O ATOM 172 OE2 GLU A 11 89.584 -14.927 12.170 1.00 0.00 O ATOM 0 H GLU A 11 92.932 -17.773 9.973 1.00 0.00 H new ATOM 0 HA GLU A 11 90.831 -19.412 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.018 -17.825 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.300 -17.144 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.081 -15.938 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 89.509 -16.370 9.296 1.00 0.00 H new ATOM 179 N PRO A 12 90.011 -19.632 8.684 1.00 0.00 N ATOM 180 CA PRO A 12 89.711 -19.909 7.249 1.00 0.00 C ATOM 181 C PRO A 12 88.714 -18.907 6.660 1.00 0.00 C ATOM 182 O PRO A 12 87.519 -19.124 6.676 1.00 0.00 O ATOM 183 CB PRO A 12 89.102 -21.311 7.273 1.00 0.00 C ATOM 184 CG PRO A 12 88.502 -21.455 8.632 1.00 0.00 C ATOM 185 CD PRO A 12 89.352 -20.602 9.576 1.00 0.00 C ATOM 0 HA PRO A 12 90.602 -19.828 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.347 -21.425 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.861 -22.073 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.465 -21.120 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.501 -22.498 8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.737 -20.102 10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 12 90.081 -21.208 10.115 1.00 0.00 H new ATOM 193 N GLY A 13 89.193 -17.810 6.139 1.00 0.00 N ATOM 194 CA GLY A 13 88.268 -16.801 5.552 1.00 0.00 C ATOM 195 C GLY A 13 89.077 -15.712 4.846 1.00 0.00 C ATOM 196 O GLY A 13 89.599 -15.911 3.767 1.00 0.00 O ATOM 0 H GLY A 13 90.183 -17.570 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.591 -17.281 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.651 -16.360 6.335 1.00 0.00 H new ATOM 200 N LEU A 14 89.183 -14.559 5.447 1.00 0.00 N ATOM 201 CA LEU A 14 89.954 -13.455 4.813 1.00 0.00 C ATOM 202 C LEU A 14 90.432 -12.476 5.888 1.00 0.00 C ATOM 203 O LEU A 14 89.739 -12.210 6.850 1.00 0.00 O ATOM 204 CB LEU A 14 89.057 -12.715 3.817 1.00 0.00 C ATOM 205 CG LEU A 14 89.921 -11.896 2.853 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.253 -12.739 1.618 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.158 -10.641 2.421 1.00 0.00 C ATOM 0 H LEU A 14 88.768 -14.334 6.351 1.00 0.00 H new ATOM 0 HA LEU A 14 90.817 -13.870 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.450 -13.429 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.369 -12.059 4.350 1.00 0.00 H new ATOM 0 HG LEU A 14 90.844 -11.606 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.868 -12.155 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.798 -13.632 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.330 -13.031 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.774 -10.059 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.234 -10.931 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 88.923 -10.038 3.298 1.00 0.00 H new ATOM 219 N GLN A 15 91.610 -11.936 5.729 1.00 0.00 N ATOM 220 CA GLN A 15 92.134 -10.970 6.737 1.00 0.00 C ATOM 221 C GLN A 15 92.610 -9.704 6.022 1.00 0.00 C ATOM 222 O GLN A 15 93.343 -9.767 5.055 1.00 0.00 O ATOM 223 CB GLN A 15 93.306 -11.607 7.487 1.00 0.00 C ATOM 224 CG GLN A 15 92.978 -13.069 7.798 1.00 0.00 C ATOM 225 CD GLN A 15 94.132 -13.693 8.585 1.00 0.00 C ATOM 226 OE1 GLN A 15 94.733 -14.653 8.145 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.466 -13.187 9.740 1.00 0.00 N ATOM 0 H GLN A 15 92.233 -12.122 4.943 1.00 0.00 H new ATOM 0 HA GLN A 15 91.347 -10.713 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.213 -11.547 6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.500 -11.062 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 15 92.055 -13.131 8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.814 -13.621 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.961 -12.381 10.109 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.232 -13.597 10.274 1.00 0.00 H new ATOM 236 N ILE A 16 92.195 -8.554 6.485 1.00 0.00 N ATOM 237 CA ILE A 16 92.618 -7.286 5.822 1.00 0.00 C ATOM 238 C ILE A 16 93.519 -6.480 6.762 1.00 0.00 C ATOM 239 O ILE A 16 93.258 -6.364 7.943 1.00 0.00 O ATOM 240 CB ILE A 16 91.381 -6.454 5.477 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.393 -7.316 4.686 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.793 -5.244 4.637 1.00 0.00 C ATOM 243 CD1 ILE A 16 89.087 -6.545 4.484 1.00 0.00 C ATOM 0 H ILE A 16 91.582 -8.438 7.292 1.00 0.00 H new ATOM 0 HA ILE A 16 93.168 -7.527 4.912 1.00 0.00 H new ATOM 0 HB ILE A 16 90.908 -6.109 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.821 -7.585 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.199 -8.247 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.910 -4.653 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.495 -4.631 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.268 -5.585 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.385 -7.160 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.656 -6.299 5.454 1.00 0.00 H new ATOM 0 HD13 ILE A 16 89.288 -5.627 3.933 1.00 0.00 H new ATOM 255 N TRP A 17 94.576 -5.915 6.240 1.00 0.00 N ATOM 256 CA TRP A 17 95.490 -5.106 7.094 1.00 0.00 C ATOM 257 C TRP A 17 95.967 -3.891 6.294 1.00 0.00 C ATOM 258 O TRP A 17 96.306 -3.998 5.132 1.00 0.00 O ATOM 259 CB TRP A 17 96.695 -5.958 7.502 1.00 0.00 C ATOM 260 CG TRP A 17 96.464 -6.556 8.855 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.464 -5.867 10.019 1.00 0.00 C ATOM 262 CD2 TRP A 17 96.202 -7.949 9.205 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.222 -6.745 11.060 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.054 -8.039 10.610 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.082 -9.128 8.448 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.797 -9.258 11.240 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.824 -10.355 9.080 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.682 -10.420 10.471 1.00 0.00 C ATOM 0 H TRP A 17 94.845 -5.980 5.258 1.00 0.00 H new ATOM 0 HA TRP A 17 94.966 -4.775 7.991 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.857 -6.748 6.769 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.596 -5.345 7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.627 -4.804 10.119 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.174 -6.470 12.041 1.00 0.00 H new ATOM 0 HE3 TRP A 17 96.189 -9.089 7.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.688 -9.303 12.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.735 -11.255 8.489 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.484 -11.367 10.950 1.00 0.00 H new ATOM 279 N ARG A 18 95.990 -2.736 6.900 1.00 0.00 N ATOM 280 CA ARG A 18 96.439 -1.520 6.161 1.00 0.00 C ATOM 281 C ARG A 18 97.906 -1.233 6.485 1.00 0.00 C ATOM 282 O ARG A 18 98.389 -1.543 7.555 1.00 0.00 O ATOM 283 CB ARG A 18 95.579 -0.326 6.580 1.00 0.00 C ATOM 284 CG ARG A 18 96.231 0.971 6.088 1.00 0.00 C ATOM 285 CD ARG A 18 95.242 2.134 6.228 1.00 0.00 C ATOM 286 NE ARG A 18 95.842 3.192 7.089 1.00 0.00 N ATOM 287 CZ ARG A 18 95.106 4.185 7.511 1.00 0.00 C ATOM 288 NH1 ARG A 18 95.631 5.112 8.265 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.846 4.251 7.178 1.00 0.00 N ATOM 0 H ARG A 18 95.719 -2.581 7.871 1.00 0.00 H new ATOM 0 HA ARG A 18 96.334 -1.687 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.576 -0.422 6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.473 -0.304 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.133 1.177 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.536 0.864 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.001 2.542 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.308 1.781 6.664 1.00 0.00 H new ATOM 0 HE ARG A 18 96.827 3.141 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 18 96.616 5.061 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.056 5.888 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.436 3.527 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.271 5.027 7.508 1.00 0.00 H new ATOM 303 N VAL A 19 98.619 -0.637 5.566 1.00 0.00 N ATOM 304 CA VAL A 19 100.054 -0.327 5.822 1.00 0.00 C ATOM 305 C VAL A 19 100.173 1.082 6.402 1.00 0.00 C ATOM 306 O VAL A 19 99.744 2.049 5.804 1.00 0.00 O ATOM 307 CB VAL A 19 100.835 -0.396 4.509 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.437 0.783 3.619 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.334 -0.322 4.809 1.00 0.00 C ATOM 0 H VAL A 19 98.269 -0.352 4.651 1.00 0.00 H new ATOM 0 HA VAL A 19 100.460 -1.052 6.528 1.00 0.00 H new ATOM 0 HB VAL A 19 100.609 -1.331 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.993 0.736 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.368 0.736 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.666 1.718 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.895 -0.371 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.557 0.616 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.619 -1.158 5.448 1.00 0.00 H new ATOM 319 N GLU A 20 100.760 1.211 7.560 1.00 0.00 N ATOM 320 CA GLU A 20 100.907 2.563 8.167 1.00 0.00 C ATOM 321 C GLU A 20 102.017 3.320 7.435 1.00 0.00 C ATOM 322 O GLU A 20 102.956 2.733 6.937 1.00 0.00 O ATOM 323 CB GLU A 20 101.267 2.426 9.648 1.00 0.00 C ATOM 324 CG GLU A 20 100.763 3.651 10.417 1.00 0.00 C ATOM 325 CD GLU A 20 101.619 4.867 10.057 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.054 5.855 9.618 1.00 0.00 O ATOM 327 OE2 GLU A 20 102.825 4.789 10.228 1.00 0.00 O ATOM 0 H GLU A 20 101.143 0.442 8.110 1.00 0.00 H new ATOM 0 HA GLU A 20 99.969 3.110 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.822 1.519 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.347 2.332 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 20 99.718 3.843 10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.810 3.465 11.490 1.00 0.00 H new ATOM 334 N LYS A 21 101.911 4.616 7.364 1.00 0.00 N ATOM 335 CA LYS A 21 102.954 5.418 6.662 1.00 0.00 C ATOM 336 C LYS A 21 104.343 4.859 6.983 1.00 0.00 C ATOM 337 O LYS A 21 105.297 5.101 6.270 1.00 0.00 O ATOM 338 CB LYS A 21 102.872 6.874 7.125 1.00 0.00 C ATOM 339 CG LYS A 21 101.805 7.609 6.311 1.00 0.00 C ATOM 340 CD LYS A 21 101.739 9.071 6.757 1.00 0.00 C ATOM 341 CE LYS A 21 101.222 9.936 5.606 1.00 0.00 C ATOM 342 NZ LYS A 21 100.915 11.304 6.112 1.00 0.00 N ATOM 0 H LYS A 21 101.145 5.158 7.763 1.00 0.00 H new ATOM 0 HA LYS A 21 102.785 5.365 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.628 6.916 8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.839 7.361 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 102.040 7.552 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 21 100.835 7.132 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.083 9.169 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.727 9.412 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 101.968 9.989 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 21 100.328 9.488 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 100.563 11.893 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 100.189 11.245 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 101.778 11.730 6.505 1.00 0.00 H new ATOM 356 N PHE A 22 104.470 4.118 8.050 1.00 0.00 N ATOM 357 CA PHE A 22 105.803 3.553 8.407 1.00 0.00 C ATOM 358 C PHE A 22 105.622 2.243 9.176 1.00 0.00 C ATOM 359 O PHE A 22 106.551 1.727 9.766 1.00 0.00 O ATOM 360 CB PHE A 22 106.562 4.555 9.278 1.00 0.00 C ATOM 361 CG PHE A 22 108.013 4.147 9.367 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.853 4.301 8.256 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.520 3.615 10.559 1.00 0.00 C ATOM 364 CE1 PHE A 22 110.198 3.923 8.339 1.00 0.00 C ATOM 365 CE2 PHE A 22 109.865 3.238 10.640 1.00 0.00 C ATOM 366 CZ PHE A 22 110.704 3.391 9.531 1.00 0.00 C ATOM 0 H PHE A 22 103.711 3.880 8.688 1.00 0.00 H new ATOM 0 HA PHE A 22 106.368 3.358 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.480 5.556 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.122 4.593 10.275 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.463 4.711 7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 22 107.873 3.496 11.416 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.846 4.042 7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 22 110.256 2.828 11.560 1.00 0.00 H new ATOM 0 HZ PHE A 22 111.742 3.099 9.594 1.00 0.00 H new ATOM 376 N ASP A 23 104.438 1.696 9.170 1.00 0.00 N ATOM 377 CA ASP A 23 104.201 0.418 9.900 1.00 0.00 C ATOM 378 C ASP A 23 102.930 -0.245 9.364 1.00 0.00 C ATOM 379 O ASP A 23 102.647 -0.197 8.183 1.00 0.00 O ATOM 380 CB ASP A 23 104.034 0.700 11.397 1.00 0.00 C ATOM 381 CG ASP A 23 105.272 1.432 11.922 1.00 0.00 C ATOM 382 OD1 ASP A 23 105.148 2.599 12.254 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.320 0.812 11.982 1.00 0.00 O ATOM 0 H ASP A 23 103.623 2.079 8.691 1.00 0.00 H new ATOM 0 HA ASP A 23 105.053 -0.246 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 23 103.143 1.304 11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.894 -0.235 11.940 1.00 0.00 H new ATOM 388 N LEU A 24 102.164 -0.866 10.221 1.00 0.00 N ATOM 389 CA LEU A 24 100.913 -1.537 9.757 1.00 0.00 C ATOM 390 C LEU A 24 99.737 -1.089 10.629 1.00 0.00 C ATOM 391 O LEU A 24 99.856 -0.960 11.832 1.00 0.00 O ATOM 392 CB LEU A 24 101.085 -3.059 9.864 1.00 0.00 C ATOM 393 CG LEU A 24 101.099 -3.686 8.466 1.00 0.00 C ATOM 394 CD1 LEU A 24 102.453 -3.422 7.800 1.00 0.00 C ATOM 395 CD2 LEU A 24 100.877 -5.197 8.584 1.00 0.00 C ATOM 0 H LEU A 24 102.350 -0.938 11.221 1.00 0.00 H new ATOM 0 HA LEU A 24 100.715 -1.265 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.013 -3.292 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.273 -3.484 10.454 1.00 0.00 H new ATOM 0 HG LEU A 24 100.305 -3.246 7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 102.463 -3.868 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 24 102.614 -2.347 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 103.247 -3.862 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.887 -5.645 7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 24 101.672 -5.636 9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.914 -5.387 9.058 1.00 0.00 H new ATOM 407 N VAL A 25 98.599 -0.860 10.030 1.00 0.00 N ATOM 408 CA VAL A 25 97.408 -0.428 10.817 1.00 0.00 C ATOM 409 C VAL A 25 96.290 -1.465 10.639 1.00 0.00 C ATOM 410 O VAL A 25 96.005 -1.887 9.536 1.00 0.00 O ATOM 411 CB VAL A 25 96.923 0.932 10.309 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.083 1.613 11.391 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.130 1.810 9.976 1.00 0.00 C ATOM 0 H VAL A 25 98.443 -0.954 9.026 1.00 0.00 H new ATOM 0 HA VAL A 25 97.674 -0.345 11.871 1.00 0.00 H new ATOM 0 HB VAL A 25 96.317 0.790 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.738 2.581 11.028 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.223 0.988 11.631 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.689 1.756 12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 25 97.786 2.779 9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.735 1.951 10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.730 1.327 9.205 1.00 0.00 H new ATOM 423 N PRO A 26 95.665 -1.878 11.712 1.00 0.00 N ATOM 424 CA PRO A 26 94.567 -2.887 11.660 1.00 0.00 C ATOM 425 C PRO A 26 93.265 -2.308 11.097 1.00 0.00 C ATOM 426 O PRO A 26 92.986 -1.133 11.229 1.00 0.00 O ATOM 427 CB PRO A 26 94.380 -3.297 13.121 1.00 0.00 C ATOM 428 CG PRO A 26 94.849 -2.127 13.921 1.00 0.00 C ATOM 429 CD PRO A 26 95.931 -1.433 13.092 1.00 0.00 C ATOM 0 HA PRO A 26 94.817 -3.718 11.001 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.336 -3.527 13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.958 -4.191 13.356 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.024 -1.445 14.130 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.246 -2.450 14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.867 -0.348 13.181 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.930 -1.721 13.419 1.00 0.00 H new ATOM 437 N VAL A 27 92.467 -3.128 10.470 1.00 0.00 N ATOM 438 CA VAL A 27 91.183 -2.636 9.901 1.00 0.00 C ATOM 439 C VAL A 27 90.146 -3.767 9.942 1.00 0.00 C ATOM 440 O VAL A 27 90.162 -4.658 9.116 1.00 0.00 O ATOM 441 CB VAL A 27 91.403 -2.205 8.450 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.103 -1.630 7.884 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.497 -1.135 8.398 1.00 0.00 C ATOM 0 H VAL A 27 92.651 -4.121 10.327 1.00 0.00 H new ATOM 0 HA VAL A 27 90.825 -1.787 10.484 1.00 0.00 H new ATOM 0 HB VAL A 27 91.707 -3.068 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 27 90.261 -1.323 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.322 -2.390 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.799 -0.767 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.655 -0.826 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.191 -0.273 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.424 -1.543 8.801 1.00 0.00 H new ATOM 453 N PRO A 28 89.251 -3.733 10.897 1.00 0.00 N ATOM 454 CA PRO A 28 88.194 -4.775 11.045 1.00 0.00 C ATOM 455 C PRO A 28 87.447 -5.035 9.732 1.00 0.00 C ATOM 456 O PRO A 28 87.134 -4.122 8.993 1.00 0.00 O ATOM 457 CB PRO A 28 87.246 -4.193 12.095 1.00 0.00 C ATOM 458 CG PRO A 28 88.074 -3.237 12.889 1.00 0.00 C ATOM 459 CD PRO A 28 89.149 -2.701 11.943 1.00 0.00 C ATOM 0 HA PRO A 28 88.616 -5.739 11.330 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.403 -3.687 11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 28 86.834 -4.977 12.730 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.461 -2.425 13.279 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.526 -3.735 13.747 1.00 0.00 H new ATOM 0 HD2 PRO A 28 88.866 -1.735 11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.099 -2.560 12.458 1.00 0.00 H new ATOM 467 N THR A 29 87.156 -6.274 9.441 1.00 0.00 N ATOM 468 CA THR A 29 86.430 -6.592 8.181 1.00 0.00 C ATOM 469 C THR A 29 85.004 -6.040 8.264 1.00 0.00 C ATOM 470 O THR A 29 84.349 -5.833 7.262 1.00 0.00 O ATOM 471 CB THR A 29 86.377 -8.109 7.992 1.00 0.00 C ATOM 472 OG1 THR A 29 85.799 -8.409 6.730 1.00 0.00 O ATOM 473 CG2 THR A 29 85.535 -8.737 9.103 1.00 0.00 C ATOM 0 H THR A 29 87.390 -7.079 10.022 1.00 0.00 H new ATOM 0 HA THR A 29 86.949 -6.138 7.337 1.00 0.00 H new ATOM 0 HB THR A 29 87.388 -8.514 8.034 1.00 0.00 H new ATOM 0 HG1 THR A 29 85.766 -9.381 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 29 85.499 -9.818 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 29 85.981 -8.509 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 29 84.523 -8.333 9.066 1.00 0.00 H new ATOM 481 N ASN A 30 84.521 -5.802 9.452 1.00 0.00 N ATOM 482 CA ASN A 30 83.139 -5.264 9.600 1.00 0.00 C ATOM 483 C ASN A 30 83.137 -3.769 9.271 1.00 0.00 C ATOM 484 O ASN A 30 82.106 -3.125 9.276 1.00 0.00 O ATOM 485 CB ASN A 30 82.664 -5.470 11.040 1.00 0.00 C ATOM 486 CG ASN A 30 82.065 -6.871 11.186 1.00 0.00 C ATOM 487 OD1 ASN A 30 81.165 -7.237 10.457 1.00 0.00 O ATOM 488 ND2 ASN A 30 82.531 -7.673 12.102 1.00 0.00 N ATOM 0 H ASN A 30 85.023 -5.957 10.326 1.00 0.00 H new ATOM 0 HA ASN A 30 82.469 -5.787 8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.498 -5.346 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 30 81.921 -4.716 11.300 1.00 0.00 H new ATOM 0 HD21 ASN A 30 82.140 -8.609 12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 30 83.287 -7.364 12.713 1.00 0.00 H new ATOM 495 N LEU A 31 84.284 -3.213 8.985 1.00 0.00 N ATOM 496 CA LEU A 31 84.354 -1.763 8.656 1.00 0.00 C ATOM 497 C LEU A 31 85.031 -1.580 7.297 1.00 0.00 C ATOM 498 O LEU A 31 84.906 -0.550 6.664 1.00 0.00 O ATOM 499 CB LEU A 31 85.163 -1.036 9.731 1.00 0.00 C ATOM 500 CG LEU A 31 84.588 -1.358 11.112 1.00 0.00 C ATOM 501 CD1 LEU A 31 85.485 -0.755 12.193 1.00 0.00 C ATOM 502 CD2 LEU A 31 83.181 -0.766 11.229 1.00 0.00 C ATOM 0 H LEU A 31 85.178 -3.704 8.966 1.00 0.00 H new ATOM 0 HA LEU A 31 83.346 -1.350 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.209 -1.340 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.135 0.040 9.556 1.00 0.00 H new ATOM 0 HG LEU A 31 84.541 -2.439 11.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 85.075 -0.985 13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 31 86.487 -1.176 12.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 85.534 0.326 12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 31 82.771 -0.995 12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 31 83.229 0.315 11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.540 -1.196 10.459 1.00 0.00 H new ATOM 514 N TYR A 32 85.749 -2.570 6.840 1.00 0.00 N ATOM 515 CA TYR A 32 86.432 -2.451 5.523 1.00 0.00 C ATOM 516 C TYR A 32 85.434 -1.952 4.472 1.00 0.00 C ATOM 517 O TYR A 32 84.285 -1.695 4.769 1.00 0.00 O ATOM 518 CB TYR A 32 86.984 -3.819 5.106 1.00 0.00 C ATOM 519 CG TYR A 32 85.911 -4.613 4.392 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.602 -4.629 4.889 1.00 0.00 C ATOM 521 CD2 TYR A 32 86.229 -5.332 3.234 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.611 -5.364 4.227 1.00 0.00 C ATOM 523 CE2 TYR A 32 85.238 -6.067 2.572 1.00 0.00 C ATOM 524 CZ TYR A 32 83.929 -6.084 3.069 1.00 0.00 C ATOM 525 OH TYR A 32 82.952 -6.807 2.416 1.00 0.00 O ATOM 0 H TYR A 32 85.891 -3.457 7.324 1.00 0.00 H new ATOM 0 HA TYR A 32 87.255 -1.741 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.847 -3.689 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 32 87.328 -4.365 5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.357 -4.075 5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 32 87.239 -5.320 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 32 82.601 -5.376 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 32 85.483 -6.621 1.678 1.00 0.00 H new ATOM 0 HH TYR A 32 83.340 -7.246 1.631 1.00 0.00 H new ATOM 535 N GLY A 33 85.867 -1.818 3.247 1.00 0.00 N ATOM 536 CA GLY A 33 84.947 -1.338 2.176 1.00 0.00 C ATOM 537 C GLY A 33 85.483 -0.033 1.587 1.00 0.00 C ATOM 538 O GLY A 33 85.445 0.182 0.392 1.00 0.00 O ATOM 0 H GLY A 33 86.819 -2.020 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.858 -2.092 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.948 -1.182 2.584 1.00 0.00 H new ATOM 542 N ASP A 34 85.981 0.843 2.417 1.00 0.00 N ATOM 543 CA ASP A 34 86.519 2.134 1.904 1.00 0.00 C ATOM 544 C ASP A 34 88.041 2.040 1.781 1.00 0.00 C ATOM 545 O ASP A 34 88.760 2.130 2.755 1.00 0.00 O ATOM 546 CB ASP A 34 86.156 3.259 2.874 1.00 0.00 C ATOM 547 CG ASP A 34 84.672 3.600 2.729 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.210 3.679 1.603 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.022 3.776 3.747 1.00 0.00 O ATOM 0 H ASP A 34 86.038 0.720 3.428 1.00 0.00 H new ATOM 0 HA ASP A 34 86.087 2.344 0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.371 2.954 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.764 4.140 2.669 1.00 0.00 H new ATOM 554 N PHE A 35 88.539 1.860 0.587 1.00 0.00 N ATOM 555 CA PHE A 35 90.015 1.761 0.403 1.00 0.00 C ATOM 556 C PHE A 35 90.591 3.154 0.147 1.00 0.00 C ATOM 557 O PHE A 35 90.045 3.934 -0.609 1.00 0.00 O ATOM 558 CB PHE A 35 90.321 0.854 -0.791 1.00 0.00 C ATOM 559 CG PHE A 35 90.131 -0.589 -0.389 1.00 0.00 C ATOM 560 CD1 PHE A 35 91.221 -1.468 -0.407 1.00 0.00 C ATOM 561 CD2 PHE A 35 88.868 -1.047 0.003 1.00 0.00 C ATOM 562 CE1 PHE A 35 91.046 -2.806 -0.034 1.00 0.00 C ATOM 563 CE2 PHE A 35 88.692 -2.384 0.376 1.00 0.00 C ATOM 564 CZ PHE A 35 89.782 -3.264 0.358 1.00 0.00 C ATOM 0 H PHE A 35 87.988 1.777 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 35 90.466 1.341 1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.664 1.100 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.344 1.016 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 35 92.196 -1.114 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 35 88.028 -0.368 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 35 91.886 -3.485 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 35 87.717 -2.737 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.647 -4.296 0.647 1.00 0.00 H new ATOM 574 N PHE A 36 91.691 3.475 0.770 1.00 0.00 N ATOM 575 CA PHE A 36 92.302 4.819 0.561 1.00 0.00 C ATOM 576 C PHE A 36 93.339 4.738 -0.562 1.00 0.00 C ATOM 577 O PHE A 36 94.099 3.794 -0.651 1.00 0.00 O ATOM 578 CB PHE A 36 92.982 5.278 1.852 1.00 0.00 C ATOM 579 CG PHE A 36 92.027 5.115 3.011 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.784 5.759 2.990 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.383 4.321 4.106 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.898 5.610 4.063 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.498 4.170 5.180 1.00 0.00 C ATOM 584 CZ PHE A 36 90.255 4.814 5.159 1.00 0.00 C ATOM 0 H PHE A 36 92.194 2.865 1.415 1.00 0.00 H new ATOM 0 HA PHE A 36 91.525 5.533 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.886 4.694 2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.288 6.320 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.508 6.372 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 36 93.342 3.824 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 36 88.940 6.108 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.774 3.557 6.025 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.572 4.697 5.987 1.00 0.00 H new ATOM 594 N THR A 37 93.375 5.720 -1.419 1.00 0.00 N ATOM 595 CA THR A 37 94.361 5.701 -2.535 1.00 0.00 C ATOM 596 C THR A 37 95.725 6.166 -2.019 1.00 0.00 C ATOM 597 O THR A 37 96.707 6.151 -2.733 1.00 0.00 O ATOM 598 CB THR A 37 93.889 6.639 -3.648 1.00 0.00 C ATOM 599 OG1 THR A 37 93.895 7.978 -3.171 1.00 0.00 O ATOM 600 CG2 THR A 37 92.472 6.254 -4.073 1.00 0.00 C ATOM 0 H THR A 37 92.763 6.536 -1.395 1.00 0.00 H new ATOM 0 HA THR A 37 94.448 4.687 -2.927 1.00 0.00 H new ATOM 0 HB THR A 37 94.559 6.555 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.379 8.545 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 37 92.136 6.922 -4.866 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.468 5.227 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.800 6.338 -3.219 1.00 0.00 H new ATOM 608 N GLY A 38 95.794 6.581 -0.784 1.00 0.00 N ATOM 609 CA GLY A 38 97.094 7.046 -0.226 1.00 0.00 C ATOM 610 C GLY A 38 97.907 5.845 0.261 1.00 0.00 C ATOM 611 O GLY A 38 98.861 5.433 -0.369 1.00 0.00 O ATOM 0 H GLY A 38 95.006 6.618 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.653 7.591 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.920 7.738 0.598 1.00 0.00 H new ATOM 615 N ASP A 39 97.538 5.281 1.377 1.00 0.00 N ATOM 616 CA ASP A 39 98.292 4.108 1.904 1.00 0.00 C ATOM 617 C ASP A 39 97.877 2.848 1.144 1.00 0.00 C ATOM 618 O ASP A 39 96.792 2.765 0.605 1.00 0.00 O ATOM 619 CB ASP A 39 97.982 3.933 3.393 1.00 0.00 C ATOM 620 CG ASP A 39 98.384 5.199 4.151 1.00 0.00 C ATOM 621 OD1 ASP A 39 99.313 5.858 3.714 1.00 0.00 O ATOM 622 OD2 ASP A 39 97.758 5.487 5.157 1.00 0.00 O ATOM 0 H ASP A 39 96.747 5.581 1.947 1.00 0.00 H new ATOM 0 HA ASP A 39 99.361 4.273 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.919 3.735 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.522 3.073 3.789 1.00 0.00 H new ATOM 627 N ALA A 40 98.733 1.864 1.098 1.00 0.00 N ATOM 628 CA ALA A 40 98.388 0.607 0.374 1.00 0.00 C ATOM 629 C ALA A 40 97.725 -0.372 1.346 1.00 0.00 C ATOM 630 O ALA A 40 97.778 -0.199 2.548 1.00 0.00 O ATOM 631 CB ALA A 40 99.662 -0.020 -0.195 1.00 0.00 C ATOM 0 H ALA A 40 99.657 1.876 1.531 1.00 0.00 H new ATOM 0 HA ALA A 40 97.701 0.832 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.410 -0.939 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.134 0.679 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.351 -0.247 0.619 1.00 0.00 H new ATOM 637 N TYR A 41 97.098 -1.398 0.835 1.00 0.00 N ATOM 638 CA TYR A 41 96.429 -2.387 1.734 1.00 0.00 C ATOM 639 C TYR A 41 96.918 -3.798 1.397 1.00 0.00 C ATOM 640 O TYR A 41 97.018 -4.172 0.246 1.00 0.00 O ATOM 641 CB TYR A 41 94.913 -2.318 1.531 1.00 0.00 C ATOM 642 CG TYR A 41 94.326 -1.240 2.411 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.642 0.104 2.177 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.464 -1.585 3.459 1.00 0.00 C ATOM 645 CE1 TYR A 41 94.096 1.103 2.992 1.00 0.00 C ATOM 646 CE2 TYR A 41 92.919 -0.585 4.273 1.00 0.00 C ATOM 647 CZ TYR A 41 93.233 0.759 4.040 1.00 0.00 C ATOM 648 OH TYR A 41 92.695 1.742 4.842 1.00 0.00 O ATOM 0 H TYR A 41 97.019 -1.595 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 41 96.671 -2.153 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.686 -2.110 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.461 -3.281 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.307 0.370 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.220 -2.621 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.340 2.140 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 41 92.255 -0.851 5.082 1.00 0.00 H new ATOM 0 HH TYR A 41 92.148 2.346 4.297 1.00 0.00 H new ATOM 658 N VAL A 42 97.218 -4.587 2.396 1.00 0.00 N ATOM 659 CA VAL A 42 97.691 -5.972 2.140 1.00 0.00 C ATOM 660 C VAL A 42 96.617 -6.948 2.617 1.00 0.00 C ATOM 661 O VAL A 42 96.134 -6.852 3.729 1.00 0.00 O ATOM 662 CB VAL A 42 98.978 -6.212 2.921 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.972 -6.986 2.052 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.593 -4.868 3.321 1.00 0.00 C ATOM 0 H VAL A 42 97.154 -4.327 3.380 1.00 0.00 H new ATOM 0 HA VAL A 42 97.880 -6.117 1.076 1.00 0.00 H new ATOM 0 HB VAL A 42 98.752 -6.791 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.891 -7.156 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.538 -7.945 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 42 100.196 -6.410 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.513 -5.041 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.816 -4.289 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.889 -4.317 3.944 1.00 0.00 H new ATOM 674 N ILE A 43 96.218 -7.871 1.784 1.00 0.00 N ATOM 675 CA ILE A 43 95.150 -8.826 2.198 1.00 0.00 C ATOM 676 C ILE A 43 95.631 -10.270 2.038 1.00 0.00 C ATOM 677 O ILE A 43 96.321 -10.611 1.100 1.00 0.00 O ATOM 678 CB ILE A 43 93.906 -8.602 1.331 1.00 0.00 C ATOM 679 CG1 ILE A 43 94.126 -7.402 0.402 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.707 -8.322 2.237 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.376 -6.136 1.229 1.00 0.00 C ATOM 0 H ILE A 43 96.582 -8.005 0.841 1.00 0.00 H new ATOM 0 HA ILE A 43 94.908 -8.652 3.246 1.00 0.00 H new ATOM 0 HB ILE A 43 93.720 -9.493 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.976 -7.591 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.254 -7.262 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.819 -8.162 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.544 -9.173 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.902 -7.431 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.531 -5.289 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 43 93.514 -5.942 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 43 95.261 -6.275 1.849 1.00 0.00 H new ATOM 693 N LEU A 44 95.258 -11.121 2.958 1.00 0.00 N ATOM 694 CA LEU A 44 95.676 -12.548 2.878 1.00 0.00 C ATOM 695 C LEU A 44 94.440 -13.439 3.008 1.00 0.00 C ATOM 696 O LEU A 44 93.730 -13.392 3.995 1.00 0.00 O ATOM 697 CB LEU A 44 96.656 -12.865 4.011 1.00 0.00 C ATOM 698 CG LEU A 44 97.087 -14.336 3.921 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.568 -14.461 4.290 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.254 -15.182 4.890 1.00 0.00 C ATOM 0 H LEU A 44 94.679 -10.886 3.764 1.00 0.00 H new ATOM 0 HA LEU A 44 96.165 -12.732 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.528 -12.215 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 44 96.188 -12.671 4.976 1.00 0.00 H new ATOM 0 HG LEU A 44 96.931 -14.691 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.872 -15.506 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 44 99.166 -13.866 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.721 -14.101 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.564 -16.225 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.406 -14.824 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.199 -15.100 4.630 1.00 0.00 H new ATOM 712 N LYS A 45 94.174 -14.247 2.021 1.00 0.00 N ATOM 713 CA LYS A 45 92.982 -15.139 2.093 1.00 0.00 C ATOM 714 C LYS A 45 93.397 -16.495 2.668 1.00 0.00 C ATOM 715 O LYS A 45 94.496 -16.962 2.447 1.00 0.00 O ATOM 716 CB LYS A 45 92.402 -15.332 0.691 1.00 0.00 C ATOM 717 CG LYS A 45 91.410 -16.496 0.699 1.00 0.00 C ATOM 718 CD LYS A 45 90.501 -16.404 -0.528 1.00 0.00 C ATOM 719 CE LYS A 45 89.868 -17.769 -0.799 1.00 0.00 C ATOM 720 NZ LYS A 45 88.945 -18.120 0.318 1.00 0.00 N ATOM 0 H LYS A 45 94.728 -14.329 1.169 1.00 0.00 H new ATOM 0 HA LYS A 45 92.227 -14.687 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.904 -14.419 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.204 -15.530 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.947 -17.445 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.812 -16.471 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.724 -15.658 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 45 91.075 -16.079 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.323 -17.748 -1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 45 90.644 -18.529 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 88.580 -19.083 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.459 -18.074 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.151 -17.448 0.337 1.00 0.00 H new ATOM 734 N THR A 46 92.529 -17.133 3.407 1.00 0.00 N ATOM 735 CA THR A 46 92.883 -18.456 3.995 1.00 0.00 C ATOM 736 C THR A 46 91.653 -19.367 3.984 1.00 0.00 C ATOM 737 O THR A 46 90.589 -18.989 4.433 1.00 0.00 O ATOM 738 CB THR A 46 93.360 -18.261 5.437 1.00 0.00 C ATOM 739 OG1 THR A 46 94.481 -17.390 5.449 1.00 0.00 O ATOM 740 CG2 THR A 46 93.753 -19.612 6.037 1.00 0.00 C ATOM 0 H THR A 46 91.592 -16.795 3.628 1.00 0.00 H new ATOM 0 HA THR A 46 93.678 -18.914 3.406 1.00 0.00 H new ATOM 0 HB THR A 46 92.555 -17.826 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.299 -17.907 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.092 -19.470 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 46 92.890 -20.278 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.557 -20.052 5.447 1.00 0.00 H new ATOM 748 N VAL A 47 91.786 -20.565 3.474 1.00 0.00 N ATOM 749 CA VAL A 47 90.623 -21.489 3.436 1.00 0.00 C ATOM 750 C VAL A 47 91.056 -22.864 3.936 1.00 0.00 C ATOM 751 O VAL A 47 92.225 -23.140 4.083 1.00 0.00 O ATOM 752 CB VAL A 47 90.128 -21.621 2.003 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.611 -21.829 1.997 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.475 -20.354 1.220 1.00 0.00 C ATOM 0 H VAL A 47 92.651 -20.939 3.084 1.00 0.00 H new ATOM 0 HA VAL A 47 89.827 -21.096 4.068 1.00 0.00 H new ATOM 0 HB VAL A 47 90.611 -22.479 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.261 -21.923 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.366 -22.737 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.125 -20.975 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.119 -20.451 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.998 -19.494 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.556 -20.212 1.217 1.00 0.00 H new ATOM 764 N GLN A 48 90.116 -23.726 4.185 1.00 0.00 N ATOM 765 CA GLN A 48 90.455 -25.094 4.669 1.00 0.00 C ATOM 766 C GLN A 48 90.350 -26.085 3.506 1.00 0.00 C ATOM 767 O GLN A 48 89.276 -26.369 3.015 1.00 0.00 O ATOM 768 CB GLN A 48 89.478 -25.501 5.775 1.00 0.00 C ATOM 769 CG GLN A 48 89.971 -26.783 6.447 1.00 0.00 C ATOM 770 CD GLN A 48 88.932 -27.256 7.467 1.00 0.00 C ATOM 771 OE1 GLN A 48 88.687 -26.592 8.453 1.00 0.00 O ATOM 772 NE2 GLN A 48 88.310 -28.386 7.268 1.00 0.00 N ATOM 0 H GLN A 48 89.119 -23.543 4.074 1.00 0.00 H new ATOM 0 HA GLN A 48 91.471 -25.100 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.393 -24.702 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.484 -25.657 5.357 1.00 0.00 H new ATOM 0 HG2 GLN A 48 90.140 -27.557 5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.926 -26.603 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 48 88.517 -28.943 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 48 87.617 -28.712 7.942 1.00 0.00 H new ATOM 781 N LEU A 49 91.458 -26.612 3.061 1.00 0.00 N ATOM 782 CA LEU A 49 91.420 -27.582 1.930 1.00 0.00 C ATOM 783 C LEU A 49 90.898 -28.931 2.429 1.00 0.00 C ATOM 784 O LEU A 49 90.955 -29.232 3.603 1.00 0.00 O ATOM 785 CB LEU A 49 92.831 -27.763 1.365 1.00 0.00 C ATOM 786 CG LEU A 49 93.376 -26.410 0.906 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.827 -26.571 0.451 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.531 -25.889 -0.260 1.00 0.00 C ATOM 0 H LEU A 49 92.387 -26.413 3.431 1.00 0.00 H new ATOM 0 HA LEU A 49 90.760 -27.202 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 49 93.485 -28.192 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.812 -28.462 0.529 1.00 0.00 H new ATOM 0 HG LEU A 49 93.332 -25.702 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.215 -25.606 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.429 -26.942 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.872 -27.280 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.919 -24.925 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.575 -26.598 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.497 -25.773 0.064 1.00 0.00 H new ATOM 800 N ARG A 50 90.393 -29.746 1.542 1.00 0.00 N ATOM 801 CA ARG A 50 89.874 -31.075 1.966 1.00 0.00 C ATOM 802 C ARG A 50 90.872 -31.721 2.930 1.00 0.00 C ATOM 803 O ARG A 50 90.505 -32.222 3.975 1.00 0.00 O ATOM 804 CB ARG A 50 89.695 -31.972 0.740 1.00 0.00 C ATOM 805 CG ARG A 50 89.213 -31.126 -0.443 1.00 0.00 C ATOM 806 CD ARG A 50 90.417 -30.525 -1.174 1.00 0.00 C ATOM 807 NE ARG A 50 90.747 -31.364 -2.360 1.00 0.00 N ATOM 808 CZ ARG A 50 90.104 -31.190 -3.483 1.00 0.00 C ATOM 809 NH1 ARG A 50 90.392 -31.926 -4.521 1.00 0.00 N ATOM 810 NH2 ARG A 50 89.172 -30.280 -3.566 1.00 0.00 N ATOM 0 H ARG A 50 90.318 -29.548 0.544 1.00 0.00 H new ATOM 0 HA ARG A 50 88.912 -30.949 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 50 90.637 -32.460 0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.974 -32.761 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.630 -31.741 -1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 50 88.556 -30.331 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 50 90.194 -29.505 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 50 91.274 -30.472 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 50 91.476 -32.075 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 50 91.120 -32.638 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 50 89.889 -31.790 -5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 50 88.946 -29.705 -2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 50 88.669 -30.143 -4.443 1.00 0.00 H new ATOM 824 N ASN A 51 92.132 -31.709 2.590 1.00 0.00 N ATOM 825 CA ASN A 51 93.150 -32.317 3.490 1.00 0.00 C ATOM 826 C ASN A 51 93.219 -31.511 4.789 1.00 0.00 C ATOM 827 O ASN A 51 93.537 -32.032 5.839 1.00 0.00 O ATOM 828 CB ASN A 51 94.518 -32.295 2.801 1.00 0.00 C ATOM 829 CG ASN A 51 94.337 -32.534 1.301 1.00 0.00 C ATOM 830 OD1 ASN A 51 93.349 -33.278 0.886 1.00 0.00 O flip ATOM 831 ND2 ASN A 51 95.105 -32.040 0.499 1.00 0.00 N flip ATOM 0 H ASN A 51 92.499 -31.305 1.729 1.00 0.00 H new ATOM 0 HA ASN A 51 92.874 -33.348 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 51 95.007 -31.336 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 51 95.164 -33.062 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.877 -31.458 0.824 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.977 -32.207 -0.499 1.00 0.00 H new ATOM 838 N GLY A 52 92.920 -30.243 4.723 1.00 0.00 N ATOM 839 CA GLY A 52 92.962 -29.401 5.952 1.00 0.00 C ATOM 840 C GLY A 52 94.325 -28.714 6.062 1.00 0.00 C ATOM 841 O GLY A 52 94.812 -28.455 7.144 1.00 0.00 O ATOM 0 H GLY A 52 92.648 -29.753 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.169 -28.654 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 52 92.783 -30.018 6.833 1.00 0.00 H new ATOM 845 N ASN A 53 94.948 -28.417 4.954 1.00 0.00 N ATOM 846 CA ASN A 53 96.276 -27.748 5.008 1.00 0.00 C ATOM 847 C ASN A 53 96.081 -26.237 5.010 1.00 0.00 C ATOM 848 O ASN A 53 97.006 -25.473 4.823 1.00 0.00 O ATOM 849 CB ASN A 53 97.114 -28.161 3.798 1.00 0.00 C ATOM 850 CG ASN A 53 98.601 -28.071 4.149 1.00 0.00 C ATOM 851 OD1 ASN A 53 99.007 -28.464 5.325 1.00 0.00 O flip ATOM 852 ND2 ASN A 53 99.400 -27.636 3.343 1.00 0.00 N flip ATOM 0 H ASN A 53 94.595 -28.609 4.017 1.00 0.00 H new ATOM 0 HA ASN A 53 96.796 -28.047 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 53 96.862 -29.178 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.890 -27.514 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.082 -27.329 2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 53 100.389 -27.578 3.586 1.00 0.00 H new ATOM 859 N LEU A 54 94.878 -25.813 5.224 1.00 0.00 N ATOM 860 CA LEU A 54 94.578 -24.361 5.248 1.00 0.00 C ATOM 861 C LEU A 54 95.265 -23.678 4.069 1.00 0.00 C ATOM 862 O LEU A 54 96.440 -23.376 4.104 1.00 0.00 O ATOM 863 CB LEU A 54 95.065 -23.754 6.565 1.00 0.00 C ATOM 864 CG LEU A 54 93.937 -23.815 7.600 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.438 -23.257 8.933 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.741 -22.984 7.116 1.00 0.00 C ATOM 0 H LEU A 54 94.074 -26.419 5.386 1.00 0.00 H new ATOM 0 HA LEU A 54 93.501 -24.212 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.937 -24.298 6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.376 -22.721 6.409 1.00 0.00 H new ATOM 0 HG LEU A 54 93.625 -24.851 7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.636 -23.300 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.283 -23.851 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.752 -22.222 8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.942 -23.031 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.049 -21.947 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.381 -23.383 6.167 1.00 0.00 H new ATOM 878 N GLN A 55 94.531 -23.434 3.021 1.00 0.00 N ATOM 879 CA GLN A 55 95.130 -22.769 1.828 1.00 0.00 C ATOM 880 C GLN A 55 95.473 -21.322 2.181 1.00 0.00 C ATOM 881 O GLN A 55 94.864 -20.727 3.046 1.00 0.00 O ATOM 882 CB GLN A 55 94.124 -22.789 0.673 1.00 0.00 C ATOM 883 CG GLN A 55 94.873 -22.792 -0.662 1.00 0.00 C ATOM 884 CD GLN A 55 95.612 -21.463 -0.836 1.00 0.00 C ATOM 885 OE1 GLN A 55 94.971 -20.344 -0.643 1.00 0.00 O flip ATOM 886 NE2 GLN A 55 96.786 -21.445 -1.149 1.00 0.00 N flip ATOM 0 H GLN A 55 93.541 -23.666 2.937 1.00 0.00 H new ATOM 0 HA GLN A 55 96.034 -23.298 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.488 -23.671 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.470 -21.919 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.581 -23.620 -0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.173 -22.941 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 55 97.287 -22.321 -1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 55 97.270 -20.554 -1.261 1.00 0.00 H new ATOM 895 N TYR A 56 96.448 -20.751 1.524 1.00 0.00 N ATOM 896 CA TYR A 56 96.826 -19.344 1.831 1.00 0.00 C ATOM 897 C TYR A 56 96.974 -18.551 0.530 1.00 0.00 C ATOM 898 O TYR A 56 97.858 -18.798 -0.265 1.00 0.00 O ATOM 899 CB TYR A 56 98.157 -19.329 2.585 1.00 0.00 C ATOM 900 CG TYR A 56 97.940 -19.796 4.004 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.743 -18.859 5.026 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.936 -21.164 4.298 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.543 -19.290 6.343 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.735 -21.596 5.616 1.00 0.00 C ATOM 905 CZ TYR A 56 97.539 -20.659 6.638 1.00 0.00 C ATOM 906 OH TYR A 56 97.341 -21.085 7.935 1.00 0.00 O ATOM 0 H TYR A 56 96.997 -21.199 0.790 1.00 0.00 H new ATOM 0 HA TYR A 56 96.049 -18.889 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.877 -19.976 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.577 -18.323 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.745 -17.803 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 56 98.088 -21.887 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.392 -18.567 7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.731 -22.652 5.843 1.00 0.00 H new ATOM 0 HH TYR A 56 97.366 -22.064 7.965 1.00 0.00 H new ATOM 916 N ASP A 57 96.120 -17.587 0.319 1.00 0.00 N ATOM 917 CA ASP A 57 96.207 -16.756 -0.916 1.00 0.00 C ATOM 918 C ASP A 57 96.554 -15.326 -0.499 1.00 0.00 C ATOM 919 O ASP A 57 96.305 -14.927 0.621 1.00 0.00 O ATOM 920 CB ASP A 57 94.860 -16.779 -1.651 1.00 0.00 C ATOM 921 CG ASP A 57 95.019 -17.497 -2.993 1.00 0.00 C ATOM 922 OD1 ASP A 57 94.608 -16.935 -3.996 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.547 -18.597 -2.997 1.00 0.00 O ATOM 0 H ASP A 57 95.361 -17.338 0.953 1.00 0.00 H new ATOM 0 HA ASP A 57 96.972 -17.147 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.111 -17.286 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.505 -15.761 -1.812 1.00 0.00 H new ATOM 928 N LEU A 58 97.142 -14.552 -1.371 1.00 0.00 N ATOM 929 CA LEU A 58 97.510 -13.161 -0.980 1.00 0.00 C ATOM 930 C LEU A 58 97.021 -12.158 -2.028 1.00 0.00 C ATOM 931 O LEU A 58 96.996 -12.434 -3.210 1.00 0.00 O ATOM 932 CB LEU A 58 99.032 -13.056 -0.854 1.00 0.00 C ATOM 933 CG LEU A 58 99.524 -13.978 0.272 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.449 -15.051 -0.307 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.293 -13.155 1.310 1.00 0.00 C ATOM 0 H LEU A 58 97.381 -14.818 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 58 97.037 -12.930 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.504 -13.333 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.319 -12.025 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 58 98.666 -14.454 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.796 -15.703 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.905 -15.641 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.306 -14.574 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.641 -13.810 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.149 -12.677 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 58 99.637 -12.392 1.728 1.00 0.00 H new ATOM 947 N HIS A 59 96.649 -10.987 -1.589 1.00 0.00 N ATOM 948 CA HIS A 59 96.176 -9.939 -2.535 1.00 0.00 C ATOM 949 C HIS A 59 96.814 -8.606 -2.137 1.00 0.00 C ATOM 950 O HIS A 59 97.013 -8.334 -0.970 1.00 0.00 O ATOM 951 CB HIS A 59 94.652 -9.825 -2.458 1.00 0.00 C ATOM 952 CG HIS A 59 94.039 -11.194 -2.556 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.182 -11.548 -3.589 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.149 -12.309 -1.760 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.812 -12.827 -3.388 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.374 -13.334 -2.290 1.00 0.00 N ATOM 0 H HIS A 59 96.653 -10.710 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 59 96.458 -10.200 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.359 -9.351 -1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.283 -9.192 -3.265 1.00 0.00 H new ATOM 0 HD1 HIS A 59 92.886 -10.949 -4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.745 -12.378 -0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.143 -13.374 -4.036 1.00 0.00 H new ATOM 964 N TYR A 60 97.149 -7.782 -3.090 1.00 0.00 N ATOM 965 CA TYR A 60 97.789 -6.477 -2.749 1.00 0.00 C ATOM 966 C TYR A 60 97.053 -5.336 -3.457 1.00 0.00 C ATOM 967 O TYR A 60 96.826 -5.376 -4.649 1.00 0.00 O ATOM 968 CB TYR A 60 99.256 -6.512 -3.193 1.00 0.00 C ATOM 969 CG TYR A 60 99.918 -5.175 -2.943 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.774 -4.637 -3.911 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.691 -4.478 -1.748 1.00 0.00 C ATOM 972 CE1 TYR A 60 101.402 -3.406 -3.687 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.317 -3.247 -1.525 1.00 0.00 C ATOM 974 CZ TYR A 60 101.172 -2.710 -2.495 1.00 0.00 C ATOM 975 OH TYR A 60 101.791 -1.497 -2.274 1.00 0.00 O ATOM 0 H TYR A 60 97.009 -7.952 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 60 97.737 -6.310 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.787 -7.294 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.315 -6.761 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.950 -5.172 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.032 -4.892 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 60 102.064 -2.994 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.141 -2.711 -0.604 1.00 0.00 H new ATOM 0 HH TYR A 60 101.121 -0.782 -2.278 1.00 0.00 H new ATOM 985 N TRP A 61 96.673 -4.322 -2.725 1.00 0.00 N ATOM 986 CA TRP A 61 95.947 -3.176 -3.346 1.00 0.00 C ATOM 987 C TRP A 61 96.860 -1.948 -3.380 1.00 0.00 C ATOM 988 O TRP A 61 97.402 -1.537 -2.371 1.00 0.00 O ATOM 989 CB TRP A 61 94.700 -2.858 -2.516 1.00 0.00 C ATOM 990 CG TRP A 61 93.689 -2.162 -3.369 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.849 -2.775 -4.235 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.392 -0.739 -3.449 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.058 -1.818 -4.843 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.355 -0.547 -4.393 1.00 0.00 C ATOM 995 CE3 TRP A 61 93.919 0.394 -2.803 1.00 0.00 C ATOM 996 CZ2 TRP A 61 91.857 0.724 -4.683 1.00 0.00 C ATOM 997 CZ3 TRP A 61 93.420 1.674 -3.092 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.392 1.840 -4.032 1.00 0.00 C ATOM 0 H TRP A 61 96.835 -4.238 -1.721 1.00 0.00 H new ATOM 0 HA TRP A 61 95.655 -3.439 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.277 -3.777 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.968 -2.229 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.804 -3.838 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.342 -2.026 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.713 0.278 -2.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.063 0.845 -5.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 93.830 2.536 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.015 2.828 -4.252 1.00 0.00 H new ATOM 1009 N LEU A 62 97.037 -1.363 -4.535 1.00 0.00 N ATOM 1010 CA LEU A 62 97.920 -0.163 -4.643 1.00 0.00 C ATOM 1011 C LEU A 62 97.067 1.102 -4.772 1.00 0.00 C ATOM 1012 O LEU A 62 95.898 1.044 -5.098 1.00 0.00 O ATOM 1013 CB LEU A 62 98.812 -0.300 -5.879 1.00 0.00 C ATOM 1014 CG LEU A 62 100.055 -1.115 -5.525 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.598 -1.795 -6.784 1.00 0.00 C ATOM 1016 CD2 LEU A 62 101.126 -0.188 -4.946 1.00 0.00 C ATOM 0 H LEU A 62 96.608 -1.664 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 62 98.538 -0.090 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.262 -0.787 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.102 0.686 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 62 99.792 -1.873 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 101.485 -2.376 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.837 -2.457 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 62 100.860 -1.037 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 62 102.013 -0.770 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.388 0.571 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 62 100.742 0.296 -4.048 1.00 0.00 H new ATOM 1028 N GLY A 63 97.649 2.244 -4.520 1.00 0.00 N ATOM 1029 CA GLY A 63 96.883 3.520 -4.629 1.00 0.00 C ATOM 1030 C GLY A 63 97.551 4.426 -5.666 1.00 0.00 C ATOM 1031 O GLY A 63 98.715 4.276 -5.978 1.00 0.00 O ATOM 0 H GLY A 63 98.625 2.349 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.852 3.315 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.848 4.020 -3.661 1.00 0.00 H new ATOM 1035 N ASN A 64 96.823 5.366 -6.205 1.00 0.00 N ATOM 1036 CA ASN A 64 97.415 6.278 -7.224 1.00 0.00 C ATOM 1037 C ASN A 64 98.184 7.403 -6.533 1.00 0.00 C ATOM 1038 O ASN A 64 98.929 8.131 -7.157 1.00 0.00 O ATOM 1039 CB ASN A 64 96.303 6.876 -8.090 1.00 0.00 C ATOM 1040 CG ASN A 64 96.881 7.295 -9.443 1.00 0.00 C ATOM 1041 OD1 ASN A 64 97.860 6.738 -9.898 1.00 0.00 O ATOM 1042 ND2 ASN A 64 96.312 8.261 -10.110 1.00 0.00 N ATOM 0 H ASN A 64 95.843 5.542 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 64 98.100 5.710 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.506 6.146 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.860 7.737 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 64 96.689 8.548 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 64 95.490 8.729 -9.728 1.00 0.00 H new ATOM 1049 N GLU A 65 98.018 7.547 -5.248 1.00 0.00 N ATOM 1050 CA GLU A 65 98.749 8.616 -4.519 1.00 0.00 C ATOM 1051 C GLU A 65 99.796 7.945 -3.645 1.00 0.00 C ATOM 1052 O GLU A 65 100.090 8.382 -2.550 1.00 0.00 O ATOM 1053 CB GLU A 65 97.771 9.414 -3.649 1.00 0.00 C ATOM 1054 CG GLU A 65 96.336 9.121 -4.090 1.00 0.00 C ATOM 1055 CD GLU A 65 95.377 10.077 -3.379 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.216 9.939 -2.177 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.821 10.932 -4.048 1.00 0.00 O ATOM 0 H GLU A 65 97.406 6.969 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 65 99.223 9.304 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.901 9.148 -2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.978 10.481 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.246 9.236 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 65 96.076 8.088 -3.856 1.00 0.00 H new ATOM 1064 N CYS A 66 100.359 6.873 -4.128 1.00 0.00 N ATOM 1065 CA CYS A 66 101.380 6.152 -3.352 1.00 0.00 C ATOM 1066 C CYS A 66 102.590 5.905 -4.239 1.00 0.00 C ATOM 1067 O CYS A 66 102.644 4.980 -5.025 1.00 0.00 O ATOM 1068 CB CYS A 66 100.801 4.834 -2.864 1.00 0.00 C ATOM 1069 SG CYS A 66 100.597 3.692 -4.254 1.00 0.00 S ATOM 0 H CYS A 66 100.146 6.468 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 66 101.685 6.742 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 66 101.459 4.394 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 66 99.839 5.007 -2.381 1.00 0.00 H new ATOM 0 HG CYS A 66 99.769 4.202 -5.117 1.00 0.00 H new ATOM 1075 N SER A 67 103.551 6.744 -4.105 1.00 0.00 N ATOM 1076 CA SER A 67 104.795 6.621 -4.918 1.00 0.00 C ATOM 1077 C SER A 67 105.360 5.205 -4.783 1.00 0.00 C ATOM 1078 O SER A 67 104.732 4.324 -4.231 1.00 0.00 O ATOM 1079 CB SER A 67 105.828 7.632 -4.423 1.00 0.00 C ATOM 1080 OG SER A 67 105.165 8.818 -4.005 1.00 0.00 O ATOM 0 H SER A 67 103.541 7.531 -3.457 1.00 0.00 H new ATOM 0 HA SER A 67 104.564 6.819 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.398 7.210 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.539 7.860 -5.217 1.00 0.00 H new ATOM 0 HG SER A 67 105.826 9.467 -3.685 1.00 0.00 H new ATOM 1086 N GLN A 68 106.544 4.983 -5.285 1.00 0.00 N ATOM 1087 CA GLN A 68 107.153 3.626 -5.190 1.00 0.00 C ATOM 1088 C GLN A 68 107.675 3.397 -3.770 1.00 0.00 C ATOM 1089 O GLN A 68 107.923 2.279 -3.364 1.00 0.00 O ATOM 1090 CB GLN A 68 108.313 3.518 -6.184 1.00 0.00 C ATOM 1091 CG GLN A 68 109.045 4.860 -6.268 1.00 0.00 C ATOM 1092 CD GLN A 68 108.414 5.721 -7.365 1.00 0.00 C ATOM 1093 OE1 GLN A 68 107.437 6.403 -7.132 1.00 0.00 O ATOM 1094 NE2 GLN A 68 108.937 5.716 -8.563 1.00 0.00 N ATOM 0 H GLN A 68 107.116 5.683 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 68 106.401 2.873 -5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 68 109.003 2.735 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.937 3.235 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.990 5.376 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 68 110.101 4.697 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 68 109.758 5.143 -8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 68 108.524 6.285 -9.302 1.00 0.00 H new ATOM 1103 N ASP A 69 107.851 4.446 -3.014 1.00 0.00 N ATOM 1104 CA ASP A 69 108.360 4.283 -1.623 1.00 0.00 C ATOM 1105 C ASP A 69 107.343 3.498 -0.795 1.00 0.00 C ATOM 1106 O ASP A 69 107.640 2.450 -0.258 1.00 0.00 O ATOM 1107 CB ASP A 69 108.578 5.660 -0.994 1.00 0.00 C ATOM 1108 CG ASP A 69 109.848 6.289 -1.568 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.875 7.503 -1.703 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.771 5.549 -1.863 1.00 0.00 O ATOM 0 H ASP A 69 107.665 5.407 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 69 109.305 3.741 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 69 107.720 6.302 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 69 108.663 5.567 0.089 1.00 0.00 H new ATOM 1115 N GLU A 70 106.146 3.997 -0.691 1.00 0.00 N ATOM 1116 CA GLU A 70 105.107 3.280 0.099 1.00 0.00 C ATOM 1117 C GLU A 70 104.767 1.964 -0.599 1.00 0.00 C ATOM 1118 O GLU A 70 104.583 0.940 0.033 1.00 0.00 O ATOM 1119 CB GLU A 70 103.849 4.146 0.200 1.00 0.00 C ATOM 1120 CG GLU A 70 102.873 3.517 1.195 1.00 0.00 C ATOM 1121 CD GLU A 70 103.374 3.751 2.621 1.00 0.00 C ATOM 1122 OE1 GLU A 70 104.211 2.983 3.067 1.00 0.00 O ATOM 1123 OE2 GLU A 70 102.914 4.693 3.242 1.00 0.00 O ATOM 0 H GLU A 70 105.840 4.871 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 70 105.484 3.078 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 70 104.113 5.153 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.378 4.237 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 70 101.881 3.951 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.779 2.448 1.002 1.00 0.00 H new ATOM 1130 N SER A 71 104.686 1.983 -1.898 1.00 0.00 N ATOM 1131 CA SER A 71 104.365 0.736 -2.644 1.00 0.00 C ATOM 1132 C SER A 71 105.587 -0.184 -2.638 1.00 0.00 C ATOM 1133 O SER A 71 105.476 -1.382 -2.801 1.00 0.00 O ATOM 1134 CB SER A 71 103.995 1.085 -4.086 1.00 0.00 C ATOM 1135 OG SER A 71 104.216 -0.047 -4.915 1.00 0.00 O ATOM 0 H SER A 71 104.829 2.810 -2.477 1.00 0.00 H new ATOM 0 HA SER A 71 103.525 0.231 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.951 1.392 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.594 1.927 -4.434 1.00 0.00 H new ATOM 0 HG SER A 71 103.700 0.048 -5.742 1.00 0.00 H new ATOM 1141 N GLY A 72 106.752 0.371 -2.446 1.00 0.00 N ATOM 1142 CA GLY A 72 107.982 -0.471 -2.425 1.00 0.00 C ATOM 1143 C GLY A 72 108.048 -1.233 -1.102 1.00 0.00 C ATOM 1144 O GLY A 72 108.496 -2.361 -1.046 1.00 0.00 O ATOM 0 H GLY A 72 106.906 1.369 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.972 -1.170 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.867 0.154 -2.543 1.00 0.00 H new ATOM 1148 N ALA A 73 107.605 -0.626 -0.035 1.00 0.00 N ATOM 1149 CA ALA A 73 107.643 -1.317 1.284 1.00 0.00 C ATOM 1150 C ALA A 73 106.539 -2.373 1.333 1.00 0.00 C ATOM 1151 O ALA A 73 106.761 -3.500 1.729 1.00 0.00 O ATOM 1152 CB ALA A 73 107.427 -0.296 2.402 1.00 0.00 C ATOM 0 H ALA A 73 107.219 0.318 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 73 108.612 -1.797 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.455 -0.802 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.214 0.457 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.458 0.186 2.273 1.00 0.00 H new ATOM 1158 N ALA A 74 105.352 -2.017 0.933 1.00 0.00 N ATOM 1159 CA ALA A 74 104.234 -3.000 0.955 1.00 0.00 C ATOM 1160 C ALA A 74 104.586 -4.187 0.057 1.00 0.00 C ATOM 1161 O ALA A 74 104.315 -5.326 0.381 1.00 0.00 O ATOM 1162 CB ALA A 74 102.956 -2.335 0.441 1.00 0.00 C ATOM 0 H ALA A 74 105.107 -1.088 0.592 1.00 0.00 H new ATOM 0 HA ALA A 74 104.076 -3.347 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 74 102.139 -3.056 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.705 -1.487 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 103.112 -1.987 -0.580 1.00 0.00 H new ATOM 1168 N ALA A 75 105.191 -3.928 -1.071 1.00 0.00 N ATOM 1169 CA ALA A 75 105.562 -5.040 -1.989 1.00 0.00 C ATOM 1170 C ALA A 75 106.671 -5.879 -1.350 1.00 0.00 C ATOM 1171 O ALA A 75 106.588 -7.089 -1.287 1.00 0.00 O ATOM 1172 CB ALA A 75 106.059 -4.462 -3.315 1.00 0.00 C ATOM 0 H ALA A 75 105.444 -2.994 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 75 104.690 -5.668 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.331 -5.276 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.270 -3.864 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.931 -3.834 -3.134 1.00 0.00 H new ATOM 1178 N ILE A 76 107.709 -5.246 -0.875 1.00 0.00 N ATOM 1179 CA ILE A 76 108.821 -6.010 -0.242 1.00 0.00 C ATOM 1180 C ILE A 76 108.244 -7.009 0.763 1.00 0.00 C ATOM 1181 O ILE A 76 108.673 -8.142 0.842 1.00 0.00 O ATOM 1182 CB ILE A 76 109.760 -5.040 0.477 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.625 -4.311 -0.553 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.661 -5.816 1.440 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.218 -3.049 0.078 1.00 0.00 C ATOM 0 H ILE A 76 107.835 -4.234 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 76 109.377 -6.549 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 76 109.170 -4.315 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.424 -4.966 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 76 110.026 -4.047 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 76 111.329 -5.123 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 76 110.046 -6.336 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 76 111.250 -6.543 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.834 -2.530 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.412 -2.392 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.831 -3.325 0.936 1.00 0.00 H new ATOM 1197 N PHE A 77 107.273 -6.598 1.532 1.00 0.00 N ATOM 1198 CA PHE A 77 106.671 -7.528 2.530 1.00 0.00 C ATOM 1199 C PHE A 77 105.870 -8.606 1.800 1.00 0.00 C ATOM 1200 O PHE A 77 105.842 -9.752 2.204 1.00 0.00 O ATOM 1201 CB PHE A 77 105.745 -6.747 3.464 1.00 0.00 C ATOM 1202 CG PHE A 77 106.571 -5.992 4.479 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.545 -4.593 4.501 1.00 0.00 C ATOM 1204 CD2 PHE A 77 107.362 -6.693 5.399 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.310 -3.893 5.441 1.00 0.00 C ATOM 1206 CE2 PHE A 77 108.127 -5.993 6.338 1.00 0.00 C ATOM 1207 CZ PHE A 77 108.102 -4.593 6.361 1.00 0.00 C ATOM 0 H PHE A 77 106.871 -5.661 1.513 1.00 0.00 H new ATOM 0 HA PHE A 77 107.463 -7.996 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 77 105.133 -6.052 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 77 105.062 -7.429 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 77 105.934 -4.053 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 77 107.381 -7.773 5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 77 107.290 -2.813 5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 77 108.738 -6.533 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 77 108.692 -4.054 7.087 1.00 0.00 H new ATOM 1217 N THR A 78 105.219 -8.251 0.726 1.00 0.00 N ATOM 1218 CA THR A 78 104.422 -9.259 -0.028 1.00 0.00 C ATOM 1219 C THR A 78 105.371 -10.262 -0.688 1.00 0.00 C ATOM 1220 O THR A 78 105.071 -11.434 -0.801 1.00 0.00 O ATOM 1221 CB THR A 78 103.595 -8.553 -1.104 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.007 -7.382 -0.554 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.496 -9.491 -1.605 1.00 0.00 C ATOM 0 H THR A 78 105.205 -7.308 0.339 1.00 0.00 H new ATOM 0 HA THR A 78 103.754 -9.784 0.655 1.00 0.00 H new ATOM 0 HB THR A 78 104.242 -8.279 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.653 -6.646 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.908 -8.986 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.948 -10.388 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.847 -9.768 -0.774 1.00 0.00 H new ATOM 1231 N VAL A 79 106.515 -9.809 -1.122 1.00 0.00 N ATOM 1232 CA VAL A 79 107.482 -10.735 -1.774 1.00 0.00 C ATOM 1233 C VAL A 79 108.065 -11.681 -0.726 1.00 0.00 C ATOM 1234 O VAL A 79 108.138 -12.878 -0.927 1.00 0.00 O ATOM 1235 CB VAL A 79 108.611 -9.925 -2.414 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.619 -10.876 -3.060 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.029 -8.995 -3.482 1.00 0.00 C ATOM 0 H VAL A 79 106.821 -8.839 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 79 106.970 -11.314 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 79 109.111 -9.332 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.423 -10.299 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.033 -11.538 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.120 -11.470 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.833 -8.417 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.528 -9.588 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.311 -8.316 -3.021 1.00 0.00 H new ATOM 1247 N GLN A 80 108.476 -11.157 0.392 1.00 0.00 N ATOM 1248 CA GLN A 80 109.050 -12.027 1.453 1.00 0.00 C ATOM 1249 C GLN A 80 107.971 -12.987 1.954 1.00 0.00 C ATOM 1250 O GLN A 80 108.194 -14.172 2.091 1.00 0.00 O ATOM 1251 CB GLN A 80 109.545 -11.162 2.615 1.00 0.00 C ATOM 1252 CG GLN A 80 110.603 -10.182 2.107 1.00 0.00 C ATOM 1253 CD GLN A 80 110.715 -9.003 3.076 1.00 0.00 C ATOM 1254 OE1 GLN A 80 109.802 -8.210 3.193 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.804 -8.855 3.779 1.00 0.00 N ATOM 0 H GLN A 80 108.439 -10.163 0.618 1.00 0.00 H new ATOM 0 HA GLN A 80 109.887 -12.595 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.711 -10.617 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.965 -11.793 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 80 111.566 -10.685 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 80 110.335 -9.825 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 80 112.570 -9.522 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 80 111.890 -8.073 4.428 1.00 0.00 H new ATOM 1264 N LEU A 81 106.796 -12.484 2.218 1.00 0.00 N ATOM 1265 CA LEU A 81 105.702 -13.371 2.700 1.00 0.00 C ATOM 1266 C LEU A 81 105.487 -14.491 1.680 1.00 0.00 C ATOM 1267 O LEU A 81 105.209 -15.620 2.032 1.00 0.00 O ATOM 1268 CB LEU A 81 104.413 -12.558 2.855 1.00 0.00 C ATOM 1269 CG LEU A 81 104.206 -12.196 4.327 1.00 0.00 C ATOM 1270 CD1 LEU A 81 103.268 -10.993 4.430 1.00 0.00 C ATOM 1271 CD2 LEU A 81 103.591 -13.390 5.063 1.00 0.00 C ATOM 0 H LEU A 81 106.548 -11.500 2.121 1.00 0.00 H new ATOM 0 HA LEU A 81 105.970 -13.799 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 81 104.468 -11.652 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.563 -13.133 2.489 1.00 0.00 H new ATOM 0 HG LEU A 81 105.166 -11.946 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 81 103.121 -10.735 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.706 -10.144 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 81 102.307 -11.241 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 103.443 -13.134 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 81 102.631 -13.640 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 81 104.261 -14.247 4.990 1.00 0.00 H new ATOM 1283 N ASP A 82 105.617 -14.187 0.417 1.00 0.00 N ATOM 1284 CA ASP A 82 105.425 -15.238 -0.620 1.00 0.00 C ATOM 1285 C ASP A 82 106.464 -16.336 -0.418 1.00 0.00 C ATOM 1286 O ASP A 82 106.131 -17.488 -0.217 1.00 0.00 O ATOM 1287 CB ASP A 82 105.587 -14.623 -2.012 1.00 0.00 C ATOM 1288 CG ASP A 82 104.258 -14.011 -2.459 1.00 0.00 C ATOM 1289 OD1 ASP A 82 103.733 -14.457 -3.465 1.00 0.00 O ATOM 1290 OD2 ASP A 82 103.790 -13.106 -1.788 1.00 0.00 O ATOM 0 H ASP A 82 105.847 -13.259 0.060 1.00 0.00 H new ATOM 0 HA ASP A 82 104.425 -15.662 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 82 106.364 -13.859 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 82 105.906 -15.385 -2.723 1.00 0.00 H new ATOM 1295 N ASP A 83 107.725 -15.997 -0.455 1.00 0.00 N ATOM 1296 CA ASP A 83 108.768 -17.038 -0.249 1.00 0.00 C ATOM 1297 C ASP A 83 108.430 -17.812 1.022 1.00 0.00 C ATOM 1298 O ASP A 83 108.675 -18.997 1.126 1.00 0.00 O ATOM 1299 CB ASP A 83 110.139 -16.375 -0.104 1.00 0.00 C ATOM 1300 CG ASP A 83 110.655 -15.960 -1.483 1.00 0.00 C ATOM 1301 OD1 ASP A 83 109.838 -15.808 -2.378 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.856 -15.799 -1.621 1.00 0.00 O ATOM 0 H ASP A 83 108.074 -15.052 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 83 108.796 -17.715 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.066 -15.503 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.840 -17.065 0.366 1.00 0.00 H new ATOM 1307 N TYR A 84 107.852 -17.148 1.982 1.00 0.00 N ATOM 1308 CA TYR A 84 107.475 -17.839 3.242 1.00 0.00 C ATOM 1309 C TYR A 84 106.192 -18.630 2.997 1.00 0.00 C ATOM 1310 O TYR A 84 105.924 -19.618 3.654 1.00 0.00 O ATOM 1311 CB TYR A 84 107.238 -16.803 4.344 1.00 0.00 C ATOM 1312 CG TYR A 84 106.639 -17.482 5.552 1.00 0.00 C ATOM 1313 CD1 TYR A 84 105.290 -17.281 5.870 1.00 0.00 C ATOM 1314 CD2 TYR A 84 107.432 -18.311 6.354 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.734 -17.909 6.991 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.876 -18.939 7.475 1.00 0.00 C ATOM 1317 CZ TYR A 84 105.528 -18.739 7.794 1.00 0.00 C ATOM 1318 OH TYR A 84 104.980 -19.357 8.899 1.00 0.00 O ATOM 0 H TYR A 84 107.624 -16.154 1.947 1.00 0.00 H new ATOM 0 HA TYR A 84 108.274 -18.512 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.178 -16.321 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.570 -16.020 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.679 -16.642 5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 84 108.472 -18.466 6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 84 103.694 -17.754 7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 84 107.488 -19.578 8.094 1.00 0.00 H new ATOM 0 HH TYR A 84 105.665 -19.897 9.345 1.00 0.00 H new ATOM 1328 N LEU A 85 105.399 -18.205 2.047 1.00 0.00 N ATOM 1329 CA LEU A 85 104.135 -18.930 1.746 1.00 0.00 C ATOM 1330 C LEU A 85 104.147 -19.386 0.286 1.00 0.00 C ATOM 1331 O LEU A 85 103.120 -19.467 -0.358 1.00 0.00 O ATOM 1332 CB LEU A 85 102.941 -18.001 1.984 1.00 0.00 C ATOM 1333 CG LEU A 85 102.539 -18.053 3.459 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.822 -16.757 3.838 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.601 -19.240 3.690 1.00 0.00 C ATOM 0 H LEU A 85 105.576 -17.385 1.467 1.00 0.00 H new ATOM 0 HA LEU A 85 104.050 -19.799 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.199 -16.980 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.102 -18.302 1.357 1.00 0.00 H new ATOM 0 HG LEU A 85 103.431 -18.169 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.535 -16.794 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.489 -15.911 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.930 -16.641 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.314 -19.278 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 85 100.709 -19.124 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.111 -20.165 3.420 1.00 0.00 H new ATOM 1347 N ASN A 86 105.301 -19.691 -0.239 1.00 0.00 N ATOM 1348 CA ASN A 86 105.378 -20.148 -1.654 1.00 0.00 C ATOM 1349 C ASN A 86 104.822 -21.566 -1.745 1.00 0.00 C ATOM 1350 O ASN A 86 105.173 -22.334 -2.618 1.00 0.00 O ATOM 1351 CB ASN A 86 106.834 -20.133 -2.126 1.00 0.00 C ATOM 1352 CG ASN A 86 107.671 -21.045 -1.225 1.00 0.00 C ATOM 1353 OD1 ASN A 86 107.302 -22.174 -0.976 1.00 0.00 O ATOM 1354 ND2 ASN A 86 108.790 -20.597 -0.726 1.00 0.00 N ATOM 0 H ASN A 86 106.194 -19.643 0.251 1.00 0.00 H new ATOM 0 HA ASN A 86 104.795 -19.481 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 86 106.896 -20.470 -3.161 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.226 -19.116 -2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.357 -21.196 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 86 109.098 -19.648 -0.936 1.00 0.00 H new ATOM 1361 N GLY A 87 103.951 -21.909 -0.842 1.00 0.00 N ATOM 1362 CA GLY A 87 103.351 -23.274 -0.854 1.00 0.00 C ATOM 1363 C GLY A 87 102.263 -23.341 -1.924 1.00 0.00 C ATOM 1364 O GLY A 87 101.123 -23.656 -1.644 1.00 0.00 O ATOM 0 H GLY A 87 103.625 -21.301 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 87 104.120 -24.020 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 87 102.929 -23.506 0.124 1.00 0.00 H new ATOM 1368 N ARG A 88 102.606 -23.041 -3.146 1.00 0.00 N ATOM 1369 CA ARG A 88 101.598 -23.083 -4.244 1.00 0.00 C ATOM 1370 C ARG A 88 100.487 -22.069 -3.963 1.00 0.00 C ATOM 1371 O ARG A 88 99.320 -22.406 -3.930 1.00 0.00 O ATOM 1372 CB ARG A 88 100.995 -24.489 -4.344 1.00 0.00 C ATOM 1373 CG ARG A 88 102.117 -25.519 -4.495 1.00 0.00 C ATOM 1374 CD ARG A 88 102.472 -25.681 -5.975 1.00 0.00 C ATOM 1375 NE ARG A 88 101.652 -26.779 -6.561 1.00 0.00 N ATOM 1376 CZ ARG A 88 101.347 -26.761 -7.831 1.00 0.00 C ATOM 1377 NH1 ARG A 88 100.629 -27.724 -8.342 1.00 0.00 N ATOM 1378 NH2 ARG A 88 101.760 -25.782 -8.590 1.00 0.00 N ATOM 0 H ARG A 88 103.546 -22.767 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 88 102.087 -22.834 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 88 100.405 -24.707 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 88 100.318 -24.546 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 88 102.995 -25.200 -3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 88 101.803 -26.477 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 88 102.287 -24.749 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 88 103.533 -25.906 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 88 101.329 -27.545 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 88 100.307 -28.489 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 88 100.390 -27.711 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 88 102.322 -25.030 -8.191 1.00 0.00 H new ATOM 0 HH22 ARG A 88 101.521 -25.770 -9.582 1.00 0.00 H new ATOM 1392 N ALA A 89 100.842 -20.828 -3.766 1.00 0.00 N ATOM 1393 CA ALA A 89 99.808 -19.787 -3.494 1.00 0.00 C ATOM 1394 C ALA A 89 99.711 -18.848 -4.698 1.00 0.00 C ATOM 1395 O ALA A 89 100.419 -18.999 -5.672 1.00 0.00 O ATOM 1396 CB ALA A 89 100.205 -18.987 -2.251 1.00 0.00 C ATOM 0 H ALA A 89 101.804 -20.489 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 89 98.843 -20.264 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.450 -18.226 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.279 -19.658 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.169 -18.506 -2.420 1.00 0.00 H new ATOM 1402 N VAL A 90 98.836 -17.879 -4.642 1.00 0.00 N ATOM 1403 CA VAL A 90 98.695 -16.937 -5.788 1.00 0.00 C ATOM 1404 C VAL A 90 98.625 -15.500 -5.266 1.00 0.00 C ATOM 1405 O VAL A 90 98.177 -15.250 -4.165 1.00 0.00 O ATOM 1406 CB VAL A 90 97.414 -17.260 -6.559 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.115 -16.133 -7.549 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.598 -18.573 -7.322 1.00 0.00 C ATOM 0 H VAL A 90 98.214 -17.700 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 90 99.555 -17.041 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 90 96.584 -17.358 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.202 -16.364 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.985 -15.197 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 90 97.944 -16.034 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.686 -18.805 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.428 -18.474 -8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.811 -19.377 -6.617 1.00 0.00 H new ATOM 1418 N GLN A 91 99.063 -14.553 -6.054 1.00 0.00 N ATOM 1419 CA GLN A 91 99.021 -13.130 -5.612 1.00 0.00 C ATOM 1420 C GLN A 91 98.072 -12.344 -6.518 1.00 0.00 C ATOM 1421 O GLN A 91 98.084 -12.498 -7.724 1.00 0.00 O ATOM 1422 CB GLN A 91 100.426 -12.528 -5.700 1.00 0.00 C ATOM 1423 CG GLN A 91 100.802 -12.325 -7.169 1.00 0.00 C ATOM 1424 CD GLN A 91 102.308 -12.081 -7.281 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.734 -11.059 -7.779 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.139 -12.984 -6.836 1.00 0.00 N ATOM 0 H GLN A 91 99.448 -14.705 -6.986 1.00 0.00 H new ATOM 0 HA GLN A 91 98.667 -13.078 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.459 -11.576 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.147 -13.187 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 91 100.521 -13.202 -7.752 1.00 0.00 H new ATOM 0 HG3 GLN A 91 100.254 -11.478 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 91 102.782 -13.843 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.145 -12.830 -6.907 1.00 0.00 H new ATOM 1435 N HIS A 92 97.250 -11.503 -5.953 1.00 0.00 N ATOM 1436 CA HIS A 92 96.301 -10.710 -6.787 1.00 0.00 C ATOM 1437 C HIS A 92 96.762 -9.252 -6.841 1.00 0.00 C ATOM 1438 O HIS A 92 96.698 -8.534 -5.862 1.00 0.00 O ATOM 1439 CB HIS A 92 94.901 -10.773 -6.172 1.00 0.00 C ATOM 1440 CG HIS A 92 94.391 -12.187 -6.211 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.861 -13.350 -5.651 1.00 0.00 N flip ATOM 1442 CD2 HIS A 92 93.234 -12.536 -6.895 1.00 0.00 C flip ATOM 1443 CE1 HIS A 92 94.010 -14.400 -5.983 1.00 0.00 C flip ATOM 1444 NE2 HIS A 92 93.048 -13.858 -6.731 1.00 0.00 N flip ATOM 0 H HIS A 92 97.194 -11.330 -4.949 1.00 0.00 H new ATOM 0 HA HIS A 92 96.276 -11.124 -7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 92 94.929 -10.415 -5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.224 -10.117 -6.719 1.00 0.00 H new ATOM 0 HD2 HIS A 92 92.599 -11.867 -7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 92 94.108 -15.436 -5.695 1.00 0.00 H new ATOM 0 HE2 HIS A 92 92.268 -14.381 -7.129 1.00 0.00 H new ATOM 1452 N ARG A 93 97.220 -8.806 -7.979 1.00 0.00 N ATOM 1453 CA ARG A 93 97.673 -7.392 -8.093 1.00 0.00 C ATOM 1454 C ARG A 93 96.472 -6.506 -8.425 1.00 0.00 C ATOM 1455 O ARG A 93 96.118 -6.329 -9.574 1.00 0.00 O ATOM 1456 CB ARG A 93 98.718 -7.279 -9.206 1.00 0.00 C ATOM 1457 CG ARG A 93 100.006 -7.980 -8.773 1.00 0.00 C ATOM 1458 CD ARG A 93 100.797 -8.408 -10.011 1.00 0.00 C ATOM 1459 NE ARG A 93 100.670 -7.365 -11.065 1.00 0.00 N ATOM 1460 CZ ARG A 93 101.376 -6.270 -10.989 1.00 0.00 C ATOM 1461 NH1 ARG A 93 101.265 -5.355 -11.913 1.00 0.00 N ATOM 1462 NH2 ARG A 93 102.194 -6.089 -9.988 1.00 0.00 N ATOM 0 H ARG A 93 97.300 -9.359 -8.832 1.00 0.00 H new ATOM 0 HA ARG A 93 98.115 -7.070 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 93 98.338 -7.729 -10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 93 98.919 -6.230 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.607 -7.311 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.770 -8.850 -8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.846 -8.554 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.424 -9.363 -10.382 1.00 0.00 H new ATOM 0 HE ARG A 93 100.031 -7.506 -11.847 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.626 -5.495 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 93 101.817 -4.500 -11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 93 102.281 -6.803 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 93 102.746 -5.233 -9.929 1.00 0.00 H new ATOM 1476 N GLU A 94 95.836 -5.955 -7.428 1.00 0.00 N ATOM 1477 CA GLU A 94 94.650 -5.090 -7.687 1.00 0.00 C ATOM 1478 C GLU A 94 95.057 -3.616 -7.622 1.00 0.00 C ATOM 1479 O GLU A 94 95.841 -3.212 -6.784 1.00 0.00 O ATOM 1480 CB GLU A 94 93.576 -5.366 -6.630 1.00 0.00 C ATOM 1481 CG GLU A 94 92.993 -6.769 -6.835 1.00 0.00 C ATOM 1482 CD GLU A 94 93.600 -7.734 -5.814 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.946 -8.710 -5.488 1.00 0.00 O ATOM 1484 OE2 GLU A 94 94.710 -7.480 -5.376 1.00 0.00 O ATOM 0 H GLU A 94 96.086 -6.066 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 94 94.256 -5.312 -8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.006 -5.283 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 94 92.785 -4.620 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 94 91.909 -6.742 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 94 93.202 -7.116 -7.847 1.00 0.00 H new ATOM 1491 N VAL A 95 94.524 -2.811 -8.498 1.00 0.00 N ATOM 1492 CA VAL A 95 94.865 -1.364 -8.495 1.00 0.00 C ATOM 1493 C VAL A 95 93.576 -0.545 -8.592 1.00 0.00 C ATOM 1494 O VAL A 95 92.559 -1.026 -9.053 1.00 0.00 O ATOM 1495 CB VAL A 95 95.762 -1.048 -9.692 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.512 0.262 -9.437 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.770 -2.182 -9.886 1.00 0.00 C ATOM 0 H VAL A 95 93.863 -3.097 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 95 95.391 -1.113 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 95 95.150 -0.947 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.152 0.487 -10.290 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.795 1.071 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.125 0.162 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.410 -1.958 -10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.382 -2.282 -8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.237 -3.115 -10.068 1.00 0.00 H new ATOM 1507 N GLN A 96 93.607 0.685 -8.161 1.00 0.00 N ATOM 1508 CA GLN A 96 92.379 1.525 -8.230 1.00 0.00 C ATOM 1509 C GLN A 96 91.886 1.591 -9.677 1.00 0.00 C ATOM 1510 O GLN A 96 92.555 2.108 -10.548 1.00 0.00 O ATOM 1511 CB GLN A 96 92.699 2.938 -7.731 1.00 0.00 C ATOM 1512 CG GLN A 96 93.786 3.562 -8.614 1.00 0.00 C ATOM 1513 CD GLN A 96 93.137 4.434 -9.691 1.00 0.00 C ATOM 1514 OE1 GLN A 96 93.463 4.324 -10.855 1.00 0.00 O ATOM 1515 NE2 GLN A 96 92.225 5.302 -9.348 1.00 0.00 N ATOM 0 H GLN A 96 94.427 1.144 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 96 91.602 1.087 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.800 3.554 -7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.035 2.901 -6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 96 94.463 4.162 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 96 94.385 2.779 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 96 91.951 5.394 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 96 91.786 5.888 -10.058 1.00 0.00 H new ATOM 1524 N GLY A 97 90.720 1.068 -9.938 1.00 0.00 N ATOM 1525 CA GLY A 97 90.184 1.100 -11.328 1.00 0.00 C ATOM 1526 C GLY A 97 90.632 -0.156 -12.078 1.00 0.00 C ATOM 1527 O GLY A 97 90.469 -0.267 -13.277 1.00 0.00 O ATOM 0 H GLY A 97 90.115 0.620 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.096 1.155 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.539 1.991 -11.845 1.00 0.00 H new ATOM 1531 N PHE A 98 91.198 -1.104 -11.381 1.00 0.00 N ATOM 1532 CA PHE A 98 91.656 -2.351 -12.055 1.00 0.00 C ATOM 1533 C PHE A 98 91.455 -3.543 -11.119 1.00 0.00 C ATOM 1534 O PHE A 98 92.185 -4.513 -11.168 1.00 0.00 O ATOM 1535 CB PHE A 98 93.139 -2.225 -12.408 1.00 0.00 C ATOM 1536 CG PHE A 98 93.476 -3.188 -13.522 1.00 0.00 C ATOM 1537 CD1 PHE A 98 92.895 -3.027 -14.785 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.369 -4.242 -13.292 1.00 0.00 C ATOM 1539 CE1 PHE A 98 93.206 -3.919 -15.818 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.681 -5.133 -14.325 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.099 -4.972 -15.587 1.00 0.00 C ATOM 0 H PHE A 98 91.363 -1.068 -10.375 1.00 0.00 H new ATOM 0 HA PHE A 98 91.077 -2.504 -12.966 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.365 -1.204 -12.715 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.752 -2.437 -11.532 1.00 0.00 H new ATOM 0 HD1 PHE A 98 92.206 -2.214 -14.963 1.00 0.00 H new ATOM 0 HD2 PHE A 98 94.817 -4.367 -12.317 1.00 0.00 H new ATOM 0 HE1 PHE A 98 92.757 -3.795 -16.793 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.371 -5.945 -14.148 1.00 0.00 H new ATOM 0 HZ PHE A 98 94.339 -5.661 -16.384 1.00 0.00 H new ATOM 1551 N GLU A 99 90.469 -3.481 -10.265 1.00 0.00 N ATOM 1552 CA GLU A 99 90.223 -4.612 -9.327 1.00 0.00 C ATOM 1553 C GLU A 99 90.389 -5.939 -10.072 1.00 0.00 C ATOM 1554 O GLU A 99 90.286 -5.997 -11.282 1.00 0.00 O ATOM 1555 CB GLU A 99 88.801 -4.515 -8.770 1.00 0.00 C ATOM 1556 CG GLU A 99 88.439 -3.046 -8.546 1.00 0.00 C ATOM 1557 CD GLU A 99 87.921 -2.441 -9.853 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.385 -1.346 -9.806 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.069 -3.083 -10.879 1.00 0.00 O ATOM 0 H GLU A 99 89.824 -2.696 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 99 90.938 -4.564 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.096 -4.973 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.728 -5.065 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 99 87.680 -2.962 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.313 -2.494 -8.199 1.00 0.00 H new ATOM 1566 N SER A 100 90.647 -7.002 -9.363 1.00 0.00 N ATOM 1567 CA SER A 100 90.822 -8.322 -10.034 1.00 0.00 C ATOM 1568 C SER A 100 89.459 -9.001 -10.193 1.00 0.00 C ATOM 1569 O SER A 100 88.444 -8.487 -9.766 1.00 0.00 O ATOM 1570 CB SER A 100 91.736 -9.207 -9.188 1.00 0.00 C ATOM 1571 OG SER A 100 91.313 -9.157 -7.831 1.00 0.00 O ATOM 0 H SER A 100 90.744 -7.015 -8.348 1.00 0.00 H new ATOM 0 HA SER A 100 91.269 -8.172 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 100 91.707 -10.234 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.769 -8.868 -9.272 1.00 0.00 H new ATOM 0 HG SER A 100 91.896 -9.725 -7.285 1.00 0.00 H new ATOM 1577 N ALA A 101 89.429 -10.153 -10.806 1.00 0.00 N ATOM 1578 CA ALA A 101 88.133 -10.866 -10.993 1.00 0.00 C ATOM 1579 C ALA A 101 87.650 -11.407 -9.646 1.00 0.00 C ATOM 1580 O ALA A 101 86.563 -11.102 -9.197 1.00 0.00 O ATOM 1581 CB ALA A 101 88.327 -12.026 -11.970 1.00 0.00 C ATOM 0 H ALA A 101 90.246 -10.631 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 101 87.391 -10.175 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.380 -12.548 -12.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 88.671 -11.640 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.068 -12.718 -11.570 1.00 0.00 H new ATOM 1587 N THR A 102 88.449 -12.208 -8.996 1.00 0.00 N ATOM 1588 CA THR A 102 88.034 -12.767 -7.679 1.00 0.00 C ATOM 1589 C THR A 102 87.468 -11.645 -6.811 1.00 0.00 C ATOM 1590 O THR A 102 86.387 -11.747 -6.268 1.00 0.00 O ATOM 1591 CB THR A 102 89.244 -13.392 -6.983 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.594 -14.602 -7.642 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.899 -13.688 -5.523 1.00 0.00 C ATOM 0 H THR A 102 89.371 -12.499 -9.320 1.00 0.00 H new ATOM 0 HA THR A 102 87.272 -13.531 -7.831 1.00 0.00 H new ATOM 0 HB THR A 102 90.084 -12.699 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.262 -15.083 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.762 -14.133 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.630 -12.761 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.059 -14.381 -5.481 1.00 0.00 H new ATOM 1601 N PHE A 103 88.194 -10.571 -6.681 1.00 0.00 N ATOM 1602 CA PHE A 103 87.703 -9.434 -5.852 1.00 0.00 C ATOM 1603 C PHE A 103 86.330 -8.992 -6.366 1.00 0.00 C ATOM 1604 O PHE A 103 85.378 -8.895 -5.617 1.00 0.00 O ATOM 1605 CB PHE A 103 88.693 -8.266 -5.954 1.00 0.00 C ATOM 1606 CG PHE A 103 89.410 -8.088 -4.636 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.524 -6.815 -4.067 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.961 -9.198 -3.985 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.188 -6.650 -2.845 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.626 -9.033 -2.763 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.740 -7.760 -2.194 1.00 0.00 C ATOM 0 H PHE A 103 89.107 -10.430 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 103 87.618 -9.746 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 103 89.415 -8.457 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.164 -7.350 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.100 -5.959 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE A 103 89.874 -10.181 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 103 90.274 -5.667 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.051 -9.889 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 103 91.254 -7.633 -1.253 1.00 0.00 H new ATOM 1621 N LEU A 104 86.221 -8.724 -7.638 1.00 0.00 N ATOM 1622 CA LEU A 104 84.911 -8.289 -8.198 1.00 0.00 C ATOM 1623 C LEU A 104 83.813 -9.246 -7.727 1.00 0.00 C ATOM 1624 O LEU A 104 82.665 -8.871 -7.593 1.00 0.00 O ATOM 1625 CB LEU A 104 84.980 -8.306 -9.728 1.00 0.00 C ATOM 1626 CG LEU A 104 85.570 -6.986 -10.227 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.213 -7.200 -11.599 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.456 -5.941 -10.345 1.00 0.00 C ATOM 0 H LEU A 104 86.983 -8.787 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 104 84.686 -7.279 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.593 -9.141 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.984 -8.452 -10.146 1.00 0.00 H new ATOM 0 HG LEU A 104 86.324 -6.637 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.633 -6.259 -11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.006 -7.944 -11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.459 -7.550 -12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 104 84.876 -5.000 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.702 -6.291 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 104 83.996 -5.787 -9.369 1.00 0.00 H new ATOM 1640 N GLY A 105 84.157 -10.479 -7.474 1.00 0.00 N ATOM 1641 CA GLY A 105 83.134 -11.459 -7.011 1.00 0.00 C ATOM 1642 C GLY A 105 83.140 -11.519 -5.483 1.00 0.00 C ATOM 1643 O GLY A 105 82.233 -12.048 -4.870 1.00 0.00 O ATOM 0 H GLY A 105 85.102 -10.850 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.147 -11.168 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.346 -12.445 -7.425 1.00 0.00 H new ATOM 1647 N TYR A 106 84.154 -10.981 -4.862 1.00 0.00 N ATOM 1648 CA TYR A 106 84.218 -11.009 -3.375 1.00 0.00 C ATOM 1649 C TYR A 106 83.393 -9.854 -2.805 1.00 0.00 C ATOM 1650 O TYR A 106 82.992 -9.870 -1.658 1.00 0.00 O ATOM 1651 CB TYR A 106 85.673 -10.866 -2.924 1.00 0.00 C ATOM 1652 CG TYR A 106 85.835 -11.459 -1.545 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.384 -12.736 -1.392 1.00 0.00 C ATOM 1654 CD2 TYR A 106 85.435 -10.729 -0.419 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.533 -13.287 -0.112 1.00 0.00 C ATOM 1656 CE2 TYR A 106 85.586 -11.278 0.860 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.134 -12.557 1.013 1.00 0.00 C ATOM 1658 OH TYR A 106 86.282 -13.097 2.274 1.00 0.00 O ATOM 0 H TYR A 106 84.941 -10.523 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 106 83.816 -11.955 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.334 -11.371 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.960 -9.815 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.693 -13.298 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.010 -9.743 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.955 -14.274 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.280 -10.715 1.729 1.00 0.00 H new ATOM 0 HH TYR A 106 85.957 -12.459 2.943 1.00 0.00 H new ATOM 1668 N PHE A 107 83.134 -8.848 -3.598 1.00 0.00 N ATOM 1669 CA PHE A 107 82.337 -7.692 -3.102 1.00 0.00 C ATOM 1670 C PHE A 107 81.160 -8.202 -2.267 1.00 0.00 C ATOM 1671 O PHE A 107 80.348 -8.978 -2.731 1.00 0.00 O ATOM 1672 CB PHE A 107 81.809 -6.887 -4.293 1.00 0.00 C ATOM 1673 CG PHE A 107 80.656 -7.627 -4.932 1.00 0.00 C ATOM 1674 CD1 PHE A 107 80.866 -8.886 -5.509 1.00 0.00 C ATOM 1675 CD2 PHE A 107 79.379 -7.054 -4.948 1.00 0.00 C ATOM 1676 CE1 PHE A 107 79.799 -9.570 -6.103 1.00 0.00 C ATOM 1677 CE2 PHE A 107 78.312 -7.739 -5.541 1.00 0.00 C ATOM 1678 CZ PHE A 107 78.522 -8.997 -6.118 1.00 0.00 C ATOM 0 H PHE A 107 83.441 -8.778 -4.568 1.00 0.00 H new ATOM 0 HA PHE A 107 82.969 -7.054 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 107 81.483 -5.901 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 107 82.604 -6.733 -5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 107 81.851 -9.329 -5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 107 79.217 -6.083 -4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 107 79.961 -10.540 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 107 77.327 -7.297 -5.553 1.00 0.00 H new ATOM 0 HZ PHE A 107 77.698 -9.526 -6.575 1.00 0.00 H new ATOM 1688 N LYS A 108 81.061 -7.773 -1.039 1.00 0.00 N ATOM 1689 CA LYS A 108 79.937 -8.232 -0.176 1.00 0.00 C ATOM 1690 C LYS A 108 78.886 -7.123 -0.076 1.00 0.00 C ATOM 1691 O LYS A 108 77.732 -7.318 -0.404 1.00 0.00 O ATOM 1692 CB LYS A 108 80.466 -8.558 1.222 1.00 0.00 C ATOM 1693 CG LYS A 108 79.526 -9.556 1.904 1.00 0.00 C ATOM 1694 CD LYS A 108 79.660 -9.430 3.423 1.00 0.00 C ATOM 1695 CE LYS A 108 78.725 -8.331 3.930 1.00 0.00 C ATOM 1696 NZ LYS A 108 79.171 -7.882 5.280 1.00 0.00 N ATOM 0 H LYS A 108 81.711 -7.124 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 108 79.486 -9.124 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 108 81.470 -8.976 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 108 80.540 -7.647 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.496 -9.366 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 108 79.767 -10.572 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 108 79.415 -10.379 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 108 80.691 -9.196 3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 108 78.726 -7.490 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 108 77.702 -8.703 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 78.535 -7.135 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 79.149 -8.687 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 80.141 -7.511 5.220 1.00 0.00 H new ATOM 1710 N SER A 109 79.276 -5.962 0.373 1.00 0.00 N ATOM 1711 CA SER A 109 78.301 -4.840 0.494 1.00 0.00 C ATOM 1712 C SER A 109 78.559 -3.820 -0.617 1.00 0.00 C ATOM 1713 O SER A 109 77.660 -3.136 -1.065 1.00 0.00 O ATOM 1714 CB SER A 109 78.468 -4.164 1.855 1.00 0.00 C ATOM 1715 OG SER A 109 78.088 -5.072 2.879 1.00 0.00 O ATOM 0 H SER A 109 80.229 -5.741 0.662 1.00 0.00 H new ATOM 0 HA SER A 109 77.286 -5.228 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 109 79.503 -3.853 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 109 77.855 -3.264 1.905 1.00 0.00 H new ATOM 0 HG SER A 109 78.195 -4.643 3.753 1.00 0.00 H new ATOM 1721 N GLY A 110 79.780 -3.711 -1.063 1.00 0.00 N ATOM 1722 CA GLY A 110 80.100 -2.735 -2.144 1.00 0.00 C ATOM 1723 C GLY A 110 81.343 -1.933 -1.758 1.00 0.00 C ATOM 1724 O GLY A 110 81.304 -1.090 -0.885 1.00 0.00 O ATOM 0 H GLY A 110 80.572 -4.257 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.271 -3.260 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.256 -2.063 -2.303 1.00 0.00 H new ATOM 1728 N LEU A 111 82.450 -2.189 -2.403 1.00 0.00 N ATOM 1729 CA LEU A 111 83.695 -1.441 -2.071 1.00 0.00 C ATOM 1730 C LEU A 111 83.622 -0.036 -2.675 1.00 0.00 C ATOM 1731 O LEU A 111 82.859 0.219 -3.586 1.00 0.00 O ATOM 1732 CB LEU A 111 84.905 -2.182 -2.644 1.00 0.00 C ATOM 1733 CG LEU A 111 84.512 -2.873 -3.953 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.737 -2.979 -4.864 1.00 0.00 C ATOM 1735 CD2 LEU A 111 83.981 -4.278 -3.651 1.00 0.00 C ATOM 0 H LEU A 111 82.545 -2.883 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 111 83.796 -1.366 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.722 -1.482 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.266 -2.919 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 111 83.737 -2.290 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.456 -3.471 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 111 86.117 -1.981 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.512 -3.561 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 111 83.701 -4.769 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 111 84.756 -4.860 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.108 -4.205 -3.003 1.00 0.00 H new ATOM 1747 N LYS A 112 84.410 0.876 -2.176 1.00 0.00 N ATOM 1748 CA LYS A 112 84.387 2.261 -2.721 1.00 0.00 C ATOM 1749 C LYS A 112 85.746 2.924 -2.489 1.00 0.00 C ATOM 1750 O LYS A 112 86.455 2.601 -1.555 1.00 0.00 O ATOM 1751 CB LYS A 112 83.294 3.071 -2.014 1.00 0.00 C ATOM 1752 CG LYS A 112 81.995 3.002 -2.822 1.00 0.00 C ATOM 1753 CD LYS A 112 80.951 3.926 -2.191 1.00 0.00 C ATOM 1754 CE LYS A 112 81.108 5.340 -2.757 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.401 5.432 -4.066 1.00 0.00 N ATOM 0 H LYS A 112 85.069 0.721 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 112 84.178 2.227 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.130 2.680 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.610 4.108 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.181 3.297 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.623 1.978 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 112 79.948 3.551 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.071 3.941 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 112 80.699 6.070 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 112 82.164 5.577 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.507 6.392 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.811 4.745 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.391 5.223 -3.931 1.00 0.00 H new ATOM 1769 N TYR A 113 86.115 3.852 -3.330 1.00 0.00 N ATOM 1770 CA TYR A 113 87.427 4.538 -3.156 1.00 0.00 C ATOM 1771 C TYR A 113 87.211 5.877 -2.448 1.00 0.00 C ATOM 1772 O TYR A 113 86.273 6.594 -2.734 1.00 0.00 O ATOM 1773 CB TYR A 113 88.061 4.781 -4.529 1.00 0.00 C ATOM 1774 CG TYR A 113 87.604 3.711 -5.493 1.00 0.00 C ATOM 1775 CD1 TYR A 113 86.877 4.064 -6.635 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.906 2.369 -5.242 1.00 0.00 C ATOM 1777 CE1 TYR A 113 86.453 3.073 -7.528 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.483 1.377 -6.134 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.756 1.730 -7.279 1.00 0.00 C ATOM 1780 OH TYR A 113 86.337 0.753 -8.158 1.00 0.00 O ATOM 0 H TYR A 113 85.565 4.165 -4.130 1.00 0.00 H new ATOM 0 HA TYR A 113 88.089 3.913 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 113 87.779 5.766 -4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.148 4.770 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 113 86.643 5.101 -6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.466 2.098 -4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 113 85.892 3.345 -8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.717 0.341 -5.940 1.00 0.00 H new ATOM 0 HH TYR A 113 87.112 0.243 -8.474 1.00 0.00 H new ATOM 1790 N LYS A 114 88.068 6.219 -1.527 1.00 0.00 N ATOM 1791 CA LYS A 114 87.908 7.511 -0.803 1.00 0.00 C ATOM 1792 C LYS A 114 89.283 8.130 -0.548 1.00 0.00 C ATOM 1793 O LYS A 114 90.282 7.440 -0.477 1.00 0.00 O ATOM 1794 CB LYS A 114 87.203 7.264 0.533 1.00 0.00 C ATOM 1795 CG LYS A 114 86.922 8.603 1.218 1.00 0.00 C ATOM 1796 CD LYS A 114 85.749 8.446 2.185 1.00 0.00 C ATOM 1797 CE LYS A 114 85.528 9.759 2.939 1.00 0.00 C ATOM 1798 NZ LYS A 114 86.023 10.896 2.110 1.00 0.00 N ATOM 0 H LYS A 114 88.873 5.660 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 114 87.311 8.193 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 114 86.270 6.724 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 114 87.825 6.639 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 114 87.808 8.941 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 114 86.693 9.364 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 114 84.847 8.173 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 114 85.951 7.639 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.469 9.890 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 114 86.053 9.735 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.753 11.795 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 87.059 10.845 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 85.603 10.842 1.160 1.00 0.00 H new ATOM 1812 N LYS A 115 89.344 9.425 -0.409 1.00 0.00 N ATOM 1813 CA LYS A 115 90.654 10.089 -0.158 1.00 0.00 C ATOM 1814 C LYS A 115 90.846 10.283 1.347 1.00 0.00 C ATOM 1815 O LYS A 115 89.928 10.633 2.061 1.00 0.00 O ATOM 1816 CB LYS A 115 90.679 11.450 -0.856 1.00 0.00 C ATOM 1817 CG LYS A 115 92.062 12.082 -0.694 1.00 0.00 C ATOM 1818 CD LYS A 115 92.173 13.310 -1.601 1.00 0.00 C ATOM 1819 CE LYS A 115 93.488 14.038 -1.319 1.00 0.00 C ATOM 1820 NZ LYS A 115 93.847 14.885 -2.491 1.00 0.00 N ATOM 0 H LYS A 115 88.542 10.053 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 115 91.458 9.466 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 115 90.443 11.332 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 115 89.917 12.103 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 115 92.223 12.369 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 115 92.836 11.358 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 115 92.130 13.007 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 115 91.330 13.980 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 115 93.390 14.656 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 115 94.281 13.316 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 94.741 15.381 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 93.957 14.284 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 93.094 15.582 -2.659 1.00 0.00 H new ATOM 1834 N GLY A 116 92.036 10.059 1.837 1.00 0.00 N ATOM 1835 CA GLY A 116 92.286 10.232 3.295 1.00 0.00 C ATOM 1836 C GLY A 116 92.853 11.627 3.556 1.00 0.00 C ATOM 1837 O GLY A 116 94.052 11.824 3.586 1.00 0.00 O ATOM 0 H GLY A 116 92.845 9.764 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 116 91.359 10.095 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 116 92.984 9.473 3.647 1.00 0.00 H new ATOM 1841 N GLY A 117 92.002 12.598 3.747 1.00 0.00 N ATOM 1842 CA GLY A 117 92.495 13.981 4.005 1.00 0.00 C ATOM 1843 C GLY A 117 91.434 14.767 4.777 1.00 0.00 C ATOM 1844 O GLY A 117 91.656 15.201 5.889 1.00 0.00 O ATOM 0 H GLY A 117 90.987 12.494 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 117 93.423 13.947 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 117 92.718 14.480 3.062 1.00 0.00 H new ATOM 1848 N VAL A 118 90.281 14.955 4.194 1.00 0.00 N ATOM 1849 CA VAL A 118 89.206 15.713 4.895 1.00 0.00 C ATOM 1850 C VAL A 118 88.261 14.734 5.592 1.00 0.00 C ATOM 1851 O VAL A 118 87.967 13.670 5.082 1.00 0.00 O ATOM 1852 CB VAL A 118 88.422 16.543 3.876 1.00 0.00 C ATOM 1853 CG1 VAL A 118 89.378 17.476 3.132 1.00 0.00 C ATOM 1854 CG2 VAL A 118 87.741 15.607 2.876 1.00 0.00 C ATOM 0 H VAL A 118 90.037 14.617 3.263 1.00 0.00 H new ATOM 0 HA VAL A 118 89.652 16.375 5.637 1.00 0.00 H new ATOM 0 HB VAL A 118 87.668 17.136 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 118 88.819 18.067 2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 118 89.864 18.142 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 118 90.133 16.885 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 118 87.182 16.196 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 118 88.496 15.015 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 118 87.059 14.942 3.406 1.00 0.00 H new ATOM 1864 N ALA A 119 87.781 15.083 6.753 1.00 0.00 N ATOM 1865 CA ALA A 119 86.853 14.171 7.482 1.00 0.00 C ATOM 1866 C ALA A 119 85.406 14.590 7.207 1.00 0.00 C ATOM 1867 O ALA A 119 84.903 15.530 7.789 1.00 0.00 O ATOM 1868 CB ALA A 119 87.131 14.254 8.984 1.00 0.00 C ATOM 0 H ALA A 119 87.991 15.960 7.229 1.00 0.00 H new ATOM 0 HA ALA A 119 87.007 13.147 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 119 86.453 13.588 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 119 88.161 13.956 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 119 86.977 15.277 9.326 1.00 0.00 H new ATOM 1874 N SER A 120 84.737 13.900 6.325 1.00 0.00 N ATOM 1875 CA SER A 120 83.325 14.260 6.015 1.00 0.00 C ATOM 1876 C SER A 120 82.386 13.498 6.952 1.00 0.00 C ATOM 1877 O SER A 120 81.805 12.495 6.584 1.00 0.00 O ATOM 1878 CB SER A 120 83.012 13.887 4.565 1.00 0.00 C ATOM 1879 OG SER A 120 81.628 14.094 4.316 1.00 0.00 O ATOM 0 H SER A 120 85.107 13.103 5.806 1.00 0.00 H new ATOM 0 HA SER A 120 83.184 15.332 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 120 83.610 14.492 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 120 83.275 12.845 4.380 1.00 0.00 H new ATOM 0 HG SER A 120 81.424 13.857 3.387 1.00 0.00 H new ATOM 1885 N GLY A 121 82.229 13.965 8.160 1.00 0.00 N ATOM 1886 CA GLY A 121 81.326 13.266 9.117 1.00 0.00 C ATOM 1887 C GLY A 121 81.851 13.447 10.543 1.00 0.00 C ATOM 1888 O GLY A 121 82.820 12.831 10.940 1.00 0.00 O ATOM 0 H GLY A 121 82.687 14.800 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 121 80.315 13.666 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 121 81.270 12.206 8.871 1.00 0.00 H new ATOM 1892 N PHE A 122 81.218 14.286 11.317 1.00 0.00 N ATOM 1893 CA PHE A 122 81.681 14.504 12.715 1.00 0.00 C ATOM 1894 C PHE A 122 83.194 14.747 12.719 1.00 0.00 C ATOM 1895 O PHE A 122 83.726 15.414 11.854 1.00 0.00 O ATOM 1896 CB PHE A 122 81.353 13.265 13.558 1.00 0.00 C ATOM 1897 CG PHE A 122 80.953 13.685 14.954 1.00 0.00 C ATOM 1898 CD1 PHE A 122 79.943 12.989 15.629 1.00 0.00 C ATOM 1899 CD2 PHE A 122 81.590 14.768 15.573 1.00 0.00 C ATOM 1900 CE1 PHE A 122 79.571 13.375 16.922 1.00 0.00 C ATOM 1901 CE2 PHE A 122 81.218 15.154 16.866 1.00 0.00 C ATOM 1902 CZ PHE A 122 80.207 14.457 17.541 1.00 0.00 C ATOM 0 H PHE A 122 80.400 14.829 11.041 1.00 0.00 H new ATOM 0 HA PHE A 122 81.176 15.373 13.137 1.00 0.00 H new ATOM 0 HB2 PHE A 122 80.545 12.701 13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 122 82.219 12.604 13.601 1.00 0.00 H new ATOM 0 HD1 PHE A 122 79.451 12.154 15.152 1.00 0.00 H new ATOM 0 HD2 PHE A 122 82.369 15.306 15.052 1.00 0.00 H new ATOM 0 HE1 PHE A 122 78.792 12.837 17.442 1.00 0.00 H new ATOM 0 HE2 PHE A 122 81.710 15.989 17.343 1.00 0.00 H new ATOM 0 HZ PHE A 122 79.919 14.755 18.538 1.00 0.00 H new ATOM 1912 N LYS A 123 83.889 14.211 13.684 1.00 0.00 N ATOM 1913 CA LYS A 123 85.365 14.413 13.740 1.00 0.00 C ATOM 1914 C LYS A 123 85.998 13.304 14.584 1.00 0.00 C ATOM 1915 O LYS A 123 85.640 13.098 15.727 1.00 0.00 O ATOM 1916 CB LYS A 123 85.670 15.771 14.373 1.00 0.00 C ATOM 1917 CG LYS A 123 87.126 16.151 14.091 1.00 0.00 C ATOM 1918 CD LYS A 123 87.509 17.369 14.933 1.00 0.00 C ATOM 1919 CE LYS A 123 88.756 18.028 14.342 1.00 0.00 C ATOM 1920 NZ LYS A 123 88.407 18.681 13.050 1.00 0.00 N ATOM 0 H LYS A 123 83.499 13.642 14.436 1.00 0.00 H new ATOM 0 HA LYS A 123 85.775 14.382 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 123 85.000 16.531 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 123 85.495 15.730 15.448 1.00 0.00 H new ATOM 0 HG2 LYS A 123 87.783 15.313 14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 123 87.256 16.373 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 123 86.685 18.082 14.956 1.00 0.00 H new ATOM 0 HD3 LYS A 123 87.698 17.067 15.963 1.00 0.00 H new ATOM 0 HE2 LYS A 123 89.155 18.765 15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 123 89.535 17.282 14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 89.078 19.452 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 88.456 17.981 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 87.443 19.067 13.105 1.00 0.00 H new ATOM 1934 N HIS A 124 86.936 12.585 14.030 1.00 0.00 N ATOM 1935 CA HIS A 124 87.590 11.491 14.801 1.00 0.00 C ATOM 1936 C HIS A 124 88.246 12.072 16.055 1.00 0.00 C ATOM 1937 O HIS A 124 88.624 13.228 16.091 1.00 0.00 O ATOM 1938 CB HIS A 124 88.654 10.819 13.928 1.00 0.00 C ATOM 1939 CG HIS A 124 88.796 9.376 14.331 1.00 0.00 C ATOM 1940 ND1 HIS A 124 88.325 8.896 15.545 1.00 0.00 N ATOM 1941 CD2 HIS A 124 89.353 8.296 13.690 1.00 0.00 C ATOM 1942 CE1 HIS A 124 88.605 7.580 15.597 1.00 0.00 C ATOM 1943 NE2 HIS A 124 89.230 7.167 14.493 1.00 0.00 N ATOM 0 H HIS A 124 87.277 12.708 13.077 1.00 0.00 H new ATOM 0 HA HIS A 124 86.843 10.753 15.094 1.00 0.00 H new ATOM 0 HB2 HIS A 124 88.374 10.888 12.877 1.00 0.00 H new ATOM 0 HB3 HIS A 124 89.608 11.334 14.038 1.00 0.00 H new ATOM 0 HD2 HIS A 124 89.815 8.320 12.714 1.00 0.00 H new ATOM 0 HE1 HIS A 124 88.355 6.938 16.429 1.00 0.00 H new ATOM 0 HE2 HIS A 124 89.550 6.222 14.282 1.00 0.00 H new ATOM 1951 N VAL A 125 88.384 11.284 17.085 1.00 0.00 N ATOM 1952 CA VAL A 125 89.014 11.792 18.335 1.00 0.00 C ATOM 1953 C VAL A 125 90.377 12.407 18.007 1.00 0.00 C ATOM 1954 O VAL A 125 91.019 12.040 17.043 1.00 0.00 O ATOM 1955 CB VAL A 125 89.200 10.637 19.320 1.00 0.00 C ATOM 1956 CG1 VAL A 125 89.561 11.192 20.699 1.00 0.00 C ATOM 1957 CG2 VAL A 125 87.897 9.840 19.419 1.00 0.00 C ATOM 0 H VAL A 125 88.087 10.309 17.115 1.00 0.00 H new ATOM 0 HA VAL A 125 88.371 12.550 18.782 1.00 0.00 H new ATOM 0 HB VAL A 125 90.002 9.987 18.970 1.00 0.00 H new ATOM 0 HG11 VAL A 125 89.693 10.368 21.400 1.00 0.00 H new ATOM 0 HG12 VAL A 125 90.487 11.762 20.631 1.00 0.00 H new ATOM 0 HG13 VAL A 125 88.760 11.842 21.051 1.00 0.00 H new ATOM 0 HG21 VAL A 125 88.027 9.016 20.121 1.00 0.00 H new ATOM 0 HG22 VAL A 125 87.097 10.492 19.770 1.00 0.00 H new ATOM 0 HG23 VAL A 125 87.638 9.443 18.437 1.00 0.00 H new ATOM 1967 N VAL A 126 90.823 13.339 18.803 1.00 0.00 N ATOM 1968 CA VAL A 126 92.144 13.977 18.538 1.00 0.00 C ATOM 1969 C VAL A 126 92.828 14.305 19.868 1.00 0.00 C ATOM 1970 O VAL A 126 92.756 15.416 20.354 1.00 0.00 O ATOM 1971 CB VAL A 126 91.936 15.268 17.742 1.00 0.00 C ATOM 1972 CG1 VAL A 126 93.283 15.962 17.534 1.00 0.00 C ATOM 1973 CG2 VAL A 126 91.320 14.933 16.382 1.00 0.00 C ATOM 0 H VAL A 126 90.330 13.687 19.626 1.00 0.00 H new ATOM 0 HA VAL A 126 92.770 13.292 17.965 1.00 0.00 H new ATOM 0 HB VAL A 126 91.267 15.931 18.292 1.00 0.00 H new ATOM 0 HG11 VAL A 126 93.135 16.881 16.967 1.00 0.00 H new ATOM 0 HG12 VAL A 126 93.723 16.200 18.502 1.00 0.00 H new ATOM 0 HG13 VAL A 126 93.952 15.300 16.984 1.00 0.00 H new ATOM 0 HG21 VAL A 126 91.171 15.851 15.814 1.00 0.00 H new ATOM 0 HG22 VAL A 126 91.989 14.271 15.833 1.00 0.00 H new ATOM 0 HG23 VAL A 126 90.360 14.438 16.529 1.00 0.00 H new ATOM 1983 N PRO A 127 93.488 13.339 20.450 1.00 0.00 N ATOM 1984 CA PRO A 127 94.200 13.517 21.749 1.00 0.00 C ATOM 1985 C PRO A 127 95.120 14.742 21.744 1.00 0.00 C ATOM 1986 O PRO A 127 95.226 15.454 22.723 1.00 0.00 O ATOM 1987 CB PRO A 127 95.019 12.233 21.897 1.00 0.00 C ATOM 1988 CG PRO A 127 94.314 11.213 21.068 1.00 0.00 C ATOM 1989 CD PRO A 127 93.627 11.969 19.932 1.00 0.00 C ATOM 0 HA PRO A 127 93.504 13.685 22.571 1.00 0.00 H new ATOM 0 HB2 PRO A 127 96.043 12.379 21.553 1.00 0.00 H new ATOM 0 HB3 PRO A 127 95.075 11.921 22.940 1.00 0.00 H new ATOM 0 HG2 PRO A 127 95.018 10.480 20.675 1.00 0.00 H new ATOM 0 HG3 PRO A 127 93.585 10.666 21.665 1.00 0.00 H new ATOM 0 HD2 PRO A 127 94.223 11.946 19.019 1.00 0.00 H new ATOM 0 HD3 PRO A 127 92.658 11.533 19.691 1.00 0.00 H new ATOM 1997 N ASN A 128 95.786 14.991 20.651 1.00 0.00 N ATOM 1998 CA ASN A 128 96.697 16.169 20.585 1.00 0.00 C ATOM 1999 C ASN A 128 97.796 16.021 21.640 1.00 0.00 C ATOM 2000 O ASN A 128 97.534 15.698 22.781 1.00 0.00 O ATOM 2001 CB ASN A 128 95.899 17.447 20.856 1.00 0.00 C ATOM 2002 CG ASN A 128 96.646 18.650 20.279 1.00 0.00 C ATOM 2003 OD1 ASN A 128 96.828 19.646 20.952 1.00 0.00 O ATOM 2004 ND2 ASN A 128 97.090 18.601 19.053 1.00 0.00 N ATOM 0 H ASN A 128 95.739 14.430 19.800 1.00 0.00 H new ATOM 0 HA ASN A 128 97.148 16.226 19.594 1.00 0.00 H new ATOM 0 HB2 ASN A 128 94.909 17.372 20.407 1.00 0.00 H new ATOM 0 HB3 ASN A 128 95.754 17.577 21.928 1.00 0.00 H new ATOM 0 HD21 ASN A 128 97.590 19.398 18.659 1.00 0.00 H new ATOM 0 HD22 ASN A 128 96.937 17.765 18.488 1.00 0.00 H new ATOM 2011 N GLU A 129 99.025 16.253 21.267 1.00 0.00 N ATOM 2012 CA GLU A 129 100.138 16.124 22.250 1.00 0.00 C ATOM 2013 C GLU A 129 100.408 17.483 22.896 1.00 0.00 C ATOM 2014 O GLU A 129 101.130 18.303 22.364 1.00 0.00 O ATOM 2015 CB GLU A 129 101.399 15.641 21.530 1.00 0.00 C ATOM 2016 CG GLU A 129 102.344 14.984 22.538 1.00 0.00 C ATOM 2017 CD GLU A 129 103.540 14.380 21.800 1.00 0.00 C ATOM 2018 OE1 GLU A 129 104.638 14.878 21.986 1.00 0.00 O ATOM 2019 OE2 GLU A 129 103.336 13.431 21.061 1.00 0.00 O ATOM 0 H GLU A 129 99.306 16.526 20.325 1.00 0.00 H new ATOM 0 HA GLU A 129 99.861 15.405 23.021 1.00 0.00 H new ATOM 0 HB2 GLU A 129 101.134 14.930 20.748 1.00 0.00 H new ATOM 0 HB3 GLU A 129 101.896 16.480 21.043 1.00 0.00 H new ATOM 0 HG2 GLU A 129 102.686 15.721 23.265 1.00 0.00 H new ATOM 0 HG3 GLU A 129 101.817 14.209 23.094 1.00 0.00 H new ATOM 2026 N VAL A 130 99.833 17.731 24.041 1.00 0.00 N ATOM 2027 CA VAL A 130 100.057 19.036 24.722 1.00 0.00 C ATOM 2028 C VAL A 130 99.910 18.853 26.233 1.00 0.00 C ATOM 2029 O VAL A 130 98.822 18.670 26.743 1.00 0.00 O ATOM 2030 CB VAL A 130 99.026 20.053 24.228 1.00 0.00 C ATOM 2031 CG1 VAL A 130 99.229 21.381 24.958 1.00 0.00 C ATOM 2032 CG2 VAL A 130 99.205 20.268 22.722 1.00 0.00 C ATOM 0 H VAL A 130 99.217 17.085 24.534 1.00 0.00 H new ATOM 0 HA VAL A 130 101.060 19.397 24.495 1.00 0.00 H new ATOM 0 HB VAL A 130 98.022 19.679 24.427 1.00 0.00 H new ATOM 0 HG11 VAL A 130 98.495 22.106 24.606 1.00 0.00 H new ATOM 0 HG12 VAL A 130 99.104 21.230 26.030 1.00 0.00 H new ATOM 0 HG13 VAL A 130 100.233 21.756 24.759 1.00 0.00 H new ATOM 0 HG21 VAL A 130 98.471 20.992 22.368 1.00 0.00 H new ATOM 0 HG22 VAL A 130 100.209 20.643 22.525 1.00 0.00 H new ATOM 0 HG23 VAL A 130 99.062 19.322 22.200 1.00 0.00 H new ATOM 2042 N VAL A 131 100.997 18.902 26.953 1.00 0.00 N ATOM 2043 CA VAL A 131 100.919 18.731 28.432 1.00 0.00 C ATOM 2044 C VAL A 131 99.734 19.530 28.976 1.00 0.00 C ATOM 2045 O VAL A 131 99.013 19.078 29.845 1.00 0.00 O ATOM 2046 CB VAL A 131 102.211 19.237 29.073 1.00 0.00 C ATOM 2047 CG1 VAL A 131 102.458 20.686 28.650 1.00 0.00 C ATOM 2048 CG2 VAL A 131 102.086 19.165 30.597 1.00 0.00 C ATOM 0 H VAL A 131 101.935 19.053 26.582 1.00 0.00 H new ATOM 0 HA VAL A 131 100.785 17.675 28.668 1.00 0.00 H new ATOM 0 HB VAL A 131 103.045 18.616 28.746 1.00 0.00 H new ATOM 0 HG11 VAL A 131 103.379 21.047 29.107 1.00 0.00 H new ATOM 0 HG12 VAL A 131 102.547 20.738 27.565 1.00 0.00 H new ATOM 0 HG13 VAL A 131 101.624 21.307 28.976 1.00 0.00 H new ATOM 0 HG21 VAL A 131 103.007 19.526 31.055 1.00 0.00 H new ATOM 0 HG22 VAL A 131 101.251 19.785 30.923 1.00 0.00 H new ATOM 0 HG23 VAL A 131 101.911 18.133 30.899 1.00 0.00 H new ATOM 2058 N VAL A 132 99.524 20.715 28.473 1.00 0.00 N ATOM 2059 CA VAL A 132 98.384 21.542 28.961 1.00 0.00 C ATOM 2060 C VAL A 132 97.064 20.873 28.572 1.00 0.00 C ATOM 2061 O VAL A 132 96.812 20.602 27.415 1.00 0.00 O ATOM 2062 CB VAL A 132 98.457 22.932 28.330 1.00 0.00 C ATOM 2063 CG1 VAL A 132 97.695 23.930 29.204 1.00 0.00 C ATOM 2064 CG2 VAL A 132 99.919 23.367 28.221 1.00 0.00 C ATOM 0 H VAL A 132 100.093 21.147 27.745 1.00 0.00 H new ATOM 0 HA VAL A 132 98.439 21.632 30.046 1.00 0.00 H new ATOM 0 HB VAL A 132 98.010 22.902 27.336 1.00 0.00 H new ATOM 0 HG11 VAL A 132 97.747 24.921 28.754 1.00 0.00 H new ATOM 0 HG12 VAL A 132 96.652 23.622 29.284 1.00 0.00 H new ATOM 0 HG13 VAL A 132 98.142 23.959 30.198 1.00 0.00 H new ATOM 0 HG21 VAL A 132 99.971 24.358 27.771 1.00 0.00 H new ATOM 0 HG22 VAL A 132 100.365 23.396 29.215 1.00 0.00 H new ATOM 0 HG23 VAL A 132 100.464 22.657 27.599 1.00 0.00 H new ATOM 2074 N GLN A 133 96.220 20.603 29.530 1.00 0.00 N ATOM 2075 CA GLN A 133 94.916 19.950 29.215 1.00 0.00 C ATOM 2076 C GLN A 133 93.800 20.635 30.005 1.00 0.00 C ATOM 2077 O GLN A 133 92.738 20.836 29.439 1.00 0.00 O ATOM 2078 CB GLN A 133 94.980 18.471 29.601 1.00 0.00 C ATOM 2079 CG GLN A 133 93.961 17.682 28.778 1.00 0.00 C ATOM 2080 CD GLN A 133 94.579 17.296 27.432 1.00 0.00 C ATOM 2081 OE1 GLN A 133 95.566 18.003 26.956 1.00 0.00 O flip ATOM 2082 NE2 GLN A 133 94.160 16.341 26.810 1.00 0.00 N flip ATOM 2083 OXT GLN A 133 94.025 20.946 31.163 1.00 0.00 O ATOM 0 H GLN A 133 96.376 20.806 30.517 1.00 0.00 H new ATOM 0 HA GLN A 133 94.713 20.038 28.148 1.00 0.00 H new ATOM 0 HB2 GLN A 133 95.983 18.082 29.426 1.00 0.00 H new ATOM 0 HB3 GLN A 133 94.773 18.353 30.665 1.00 0.00 H new ATOM 0 HG2 GLN A 133 93.655 16.787 29.320 1.00 0.00 H new ATOM 0 HG3 GLN A 133 93.064 18.281 28.620 1.00 0.00 H new ATOM 0 HE21 GLN A 133 93.388 15.788 27.183 1.00 0.00 H new ATOM 0 HE22 GLN A 133 94.580 16.091 25.915 1.00 0.00 H new TER 2092 GLN A 133