USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1035 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 121 LYS NZ :NH3+ -142:sc= 1.34 (180deg=0.12) USER MOD Set 1.2: A 131 GLN :FLIP amide:sc= 0.0512 F(o=0.6,f=1.4) USER MOD Set 2.1: A 89 LYS NZ :NH3+ 167:sc= -1.13! (180deg=-3.1!) USER MOD Set 2.2: A 116 GLN : amide:sc= -2.43! C(o=-3.6!,f=-13!) USER MOD Set 3.1: A 64 MET CE :methyl -177:sc= -7.67! (180deg=-7.77!) USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -2.14 F(o=-13!,f=-9.8) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -157:sc= -0.0727! (180deg=-1.97!) USER MOD Set 4.2: A 102 CYS SG : rot 55:sc= 0.606 USER MOD Set 5.1: A 37 HIS :FLIP no HE2:sc= -2.67! C(o=-21!,f=-14!) USER MOD Set 5.2: A 38 CYS SG : rot 137:sc= -11.7! USER MOD Set 6.1: A 20 LYS NZ :NH3+ 152:sc= -0.402! (180deg=-1.91!) USER MOD Set 6.2: A 22 ASN : amide:sc= 0.159 K(o=-0.24,f=-10!) USER MOD Set 7.1: A 7 HIS : no HD1:sc= -0.505 K(o=-0.24,f=-2!) USER MOD Set 7.2: A 18 GLN : amide:sc= 0.266 K(o=-0.24,f=-2.5!) USER MOD Set 8.1: A 10 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-9.4!) USER MOD Set 8.2: A 17 ASN : amide:sc= -0.012 K(o=-4.1,f=-8.6!) USER MOD Set 9.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 6 HIS : no HD1:sc= 1.28 K(o=1.3,f=-4.9!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0639 (180deg=-0.41) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.248 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 5 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.21) USER MOD Single : A 8 HIS : no HE2:sc= 0.472 K(o=0.47,f=-1.8!) USER MOD Single : A 9 HIS : no HE2:sc= -0.719 K(o=-0.7,f=-2.5) USER MOD Single : A 11 SER OG : rot -99:sc= 1.75 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 15 MET CE :methyl -167:sc= -0.364 (180deg=-0.721) USER MOD Single : A 23 SER OG : rot -38:sc= 1.23 USER MOD Single : A 24 SER OG : rot -10:sc= 0.789 USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= 0.653 (180deg=-2.03!) USER MOD Single : A 40 SER OG : rot 144:sc= 1.19 USER MOD Single : A 54 GLN :FLIP amide:sc= -6.93! C(o=-14!,f=-6.9!) USER MOD Single : A 67 SER OG : rot -30:sc= 0.718 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.539 (180deg=0.448) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -4.16! C(o=-5.3!,f=-4.2!) USER MOD Single : A 73 SER OG : rot 170:sc= -0.149 USER MOD Single : A 78 TYR OH : rot 122:sc= 0.114! USER MOD Single : A 79 THR OG1 : rot 88:sc= -2.2! USER MOD Single : A 80 SER OG : rot 64:sc= 1.26 USER MOD Single : A 81 SER OG : rot 136:sc= -0.15 USER MOD Single : A 84 TYR OH : rot -49:sc= -0.406 USER MOD Single : A 86 TYR OH : rot -21:sc= 0.587 USER MOD Single : A 93 THR OG1 : rot -170:sc= 1.64 USER MOD Single : A 100 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.77) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.0657 F(o=-1.4!,f=-0.066) USER MOD Single : A 109 HIS : no HE2:sc= -0.243 K(o=-0.24,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ -128:sc= 1.07 (180deg=0.142) USER MOD Single : A 125 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.4) USER MOD Single : A 127 GLN : amide:sc= 0.105 K(o=0.11,f=-1) USER MOD Single : A 132 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.137 -7.140 16.605 1.00 0.00 N ATOM 2 CA MET A 1 33.222 -7.651 15.570 1.00 0.00 C ATOM 3 C MET A 1 33.755 -7.212 14.246 1.00 0.00 C ATOM 4 O MET A 1 34.739 -6.494 14.220 1.00 0.00 O ATOM 5 CB MET A 1 31.791 -7.103 15.754 1.00 0.00 C ATOM 6 CG MET A 1 31.079 -7.567 17.018 1.00 0.00 C ATOM 7 SD MET A 1 29.395 -6.915 17.153 1.00 0.00 S ATOM 8 CE MET A 1 29.697 -5.142 17.284 1.00 0.00 C ATOM 0 H1 MET A 1 34.518 -7.936 17.155 1.00 0.00 H new ATOM 0 H2 MET A 1 34.919 -6.625 16.153 1.00 0.00 H new ATOM 0 H3 MET A 1 33.620 -6.497 17.239 1.00 0.00 H new ATOM 0 HA MET A 1 33.166 -8.737 15.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.834 -6.014 15.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.193 -7.395 14.891 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.044 -8.656 17.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.655 -7.256 17.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.805 -4.648 17.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.532 -4.964 17.962 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.937 -4.740 16.300 1.00 0.00 H new ATOM 20 N GLY A 2 33.128 -7.640 13.184 1.00 0.00 N ATOM 21 CA GLY A 2 33.528 -7.251 11.857 1.00 0.00 C ATOM 22 C GLY A 2 32.421 -7.580 10.912 1.00 0.00 C ATOM 23 O GLY A 2 31.743 -6.706 10.401 1.00 0.00 O ATOM 0 H GLY A 2 32.325 -8.268 13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 2 33.748 -6.184 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 2 34.440 -7.773 11.568 1.00 0.00 H new ATOM 27 N SER A 3 32.201 -8.847 10.734 1.00 0.00 N ATOM 28 CA SER A 3 31.133 -9.319 9.935 1.00 0.00 C ATOM 29 C SER A 3 29.839 -9.310 10.759 1.00 0.00 C ATOM 30 O SER A 3 29.833 -9.680 11.956 1.00 0.00 O ATOM 31 CB SER A 3 31.498 -10.714 9.437 1.00 0.00 C ATOM 32 OG SER A 3 32.102 -11.468 10.487 1.00 0.00 O ATOM 0 H SER A 3 32.771 -9.584 11.149 1.00 0.00 H new ATOM 0 HA SER A 3 30.965 -8.678 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.605 -11.226 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.183 -10.639 8.592 1.00 0.00 H new ATOM 0 HG SER A 3 32.331 -12.362 10.158 1.00 0.00 H new ATOM 38 N SER A 4 28.765 -8.855 10.167 1.00 0.00 N ATOM 39 CA SER A 4 27.522 -8.803 10.864 1.00 0.00 C ATOM 40 C SER A 4 26.786 -10.132 10.896 1.00 0.00 C ATOM 41 O SER A 4 25.818 -10.353 10.184 1.00 0.00 O ATOM 42 CB SER A 4 26.634 -7.649 10.401 1.00 0.00 C ATOM 43 OG SER A 4 27.166 -6.412 10.847 1.00 0.00 O ATOM 0 H SER A 4 28.734 -8.517 9.205 1.00 0.00 H new ATOM 0 HA SER A 4 27.783 -8.593 11.901 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.561 -7.651 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.624 -7.780 10.789 1.00 0.00 H new ATOM 0 HG SER A 4 26.590 -5.680 10.543 1.00 0.00 H new ATOM 49 N HIS A 5 27.250 -11.012 11.759 1.00 0.00 N ATOM 50 CA HIS A 5 26.617 -12.312 11.999 1.00 0.00 C ATOM 51 C HIS A 5 25.476 -12.096 13.030 1.00 0.00 C ATOM 52 O HIS A 5 25.187 -12.940 13.867 1.00 0.00 O ATOM 53 CB HIS A 5 27.694 -13.292 12.543 1.00 0.00 C ATOM 54 CG HIS A 5 27.260 -14.740 12.654 1.00 0.00 C ATOM 55 ND1 HIS A 5 26.954 -15.352 13.855 1.00 0.00 N ATOM 56 CD2 HIS A 5 27.113 -15.698 11.704 1.00 0.00 C ATOM 57 CE1 HIS A 5 26.641 -16.615 13.642 1.00 0.00 C ATOM 58 NE2 HIS A 5 26.728 -16.852 12.346 1.00 0.00 N ATOM 0 H HIS A 5 28.084 -10.853 12.324 1.00 0.00 H new ATOM 0 HA HIS A 5 26.198 -12.737 11.087 1.00 0.00 H new ATOM 0 HB2 HIS A 5 28.568 -13.241 11.894 1.00 0.00 H new ATOM 0 HB3 HIS A 5 28.009 -12.948 13.528 1.00 0.00 H new ATOM 0 HD2 HIS A 5 27.269 -15.577 10.642 1.00 0.00 H new ATOM 0 HE1 HIS A 5 26.361 -17.333 14.399 1.00 0.00 H new ATOM 0 HE2 HIS A 5 26.540 -17.747 11.894 1.00 0.00 H new ATOM 67 N HIS A 6 24.800 -10.968 12.890 1.00 0.00 N ATOM 68 CA HIS A 6 23.770 -10.531 13.826 1.00 0.00 C ATOM 69 C HIS A 6 22.390 -10.946 13.343 1.00 0.00 C ATOM 70 O HIS A 6 21.442 -10.871 14.105 1.00 0.00 O ATOM 71 CB HIS A 6 23.789 -8.984 13.987 1.00 0.00 C ATOM 72 CG HIS A 6 25.076 -8.390 14.509 1.00 0.00 C ATOM 73 ND1 HIS A 6 25.810 -7.429 13.819 1.00 0.00 N ATOM 74 CD2 HIS A 6 25.742 -8.591 15.676 1.00 0.00 C ATOM 75 CE1 HIS A 6 26.857 -7.081 14.536 1.00 0.00 C ATOM 76 NE2 HIS A 6 26.841 -7.766 15.662 1.00 0.00 N ATOM 0 H HIS A 6 24.950 -10.321 12.116 1.00 0.00 H new ATOM 0 HA HIS A 6 23.983 -11.004 14.785 1.00 0.00 H new ATOM 0 HB2 HIS A 6 23.571 -8.535 13.018 1.00 0.00 H new ATOM 0 HB3 HIS A 6 22.981 -8.698 14.660 1.00 0.00 H new ATOM 0 HD2 HIS A 6 25.461 -9.271 16.466 1.00 0.00 H new ATOM 0 HE1 HIS A 6 27.604 -6.356 14.250 1.00 0.00 H new ATOM 0 HE2 HIS A 6 27.535 -7.695 16.406 1.00 0.00 H new ATOM 85 N HIS A 7 22.336 -11.434 12.088 1.00 0.00 N ATOM 86 CA HIS A 7 21.089 -11.758 11.323 1.00 0.00 C ATOM 87 C HIS A 7 19.954 -12.370 12.168 1.00 0.00 C ATOM 88 O HIS A 7 19.913 -13.582 12.401 1.00 0.00 O ATOM 89 CB HIS A 7 21.420 -12.675 10.117 1.00 0.00 C ATOM 90 CG HIS A 7 20.250 -13.018 9.205 1.00 0.00 C ATOM 91 ND1 HIS A 7 19.440 -14.120 9.396 1.00 0.00 N ATOM 92 CD2 HIS A 7 19.799 -12.424 8.066 1.00 0.00 C ATOM 93 CE1 HIS A 7 18.561 -14.198 8.421 1.00 0.00 C ATOM 94 NE2 HIS A 7 18.749 -13.184 7.600 1.00 0.00 N ATOM 0 H HIS A 7 23.181 -11.624 11.550 1.00 0.00 H new ATOM 0 HA HIS A 7 20.705 -10.799 10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 7 22.193 -12.192 9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 7 21.845 -13.604 10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.191 -11.525 7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 7 17.809 -14.966 8.311 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.206 -12.993 6.758 1.00 0.00 H new ATOM 103 N HIS A 8 19.091 -11.490 12.637 1.00 0.00 N ATOM 104 CA HIS A 8 17.859 -11.764 13.382 1.00 0.00 C ATOM 105 C HIS A 8 17.069 -10.508 13.200 1.00 0.00 C ATOM 106 O HIS A 8 17.413 -9.506 13.804 1.00 0.00 O ATOM 107 CB HIS A 8 18.101 -11.969 14.902 1.00 0.00 C ATOM 108 CG HIS A 8 18.948 -13.140 15.268 1.00 0.00 C ATOM 109 ND1 HIS A 8 20.288 -13.031 15.533 1.00 0.00 N ATOM 110 CD2 HIS A 8 18.641 -14.448 15.424 1.00 0.00 C ATOM 111 CE1 HIS A 8 20.776 -14.211 15.839 1.00 0.00 C ATOM 112 NE2 HIS A 8 19.799 -15.095 15.781 1.00 0.00 N ATOM 0 H HIS A 8 19.235 -10.489 12.502 1.00 0.00 H new ATOM 0 HA HIS A 8 17.382 -12.677 13.026 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.566 -11.068 15.302 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.134 -12.075 15.394 1.00 0.00 H new ATOM 0 HD1 HIS A 8 20.825 -12.165 15.498 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.668 -14.899 15.293 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.804 -14.422 16.095 1.00 0.00 H new ATOM 121 N HIS A 9 16.055 -10.546 12.328 1.00 0.00 N ATOM 122 CA HIS A 9 15.367 -9.316 11.860 1.00 0.00 C ATOM 123 C HIS A 9 16.354 -8.546 10.960 1.00 0.00 C ATOM 124 O HIS A 9 17.446 -9.081 10.659 1.00 0.00 O ATOM 125 CB HIS A 9 14.822 -8.426 13.030 1.00 0.00 C ATOM 126 CG HIS A 9 13.551 -8.931 13.675 1.00 0.00 C ATOM 127 ND1 HIS A 9 12.503 -8.105 14.013 1.00 0.00 N ATOM 128 CD2 HIS A 9 13.165 -10.177 14.050 1.00 0.00 C ATOM 129 CE1 HIS A 9 11.542 -8.810 14.562 1.00 0.00 C ATOM 130 NE2 HIS A 9 11.905 -10.072 14.597 1.00 0.00 N ATOM 0 H HIS A 9 15.686 -11.408 11.927 1.00 0.00 H new ATOM 0 HA HIS A 9 14.477 -9.597 11.297 1.00 0.00 H new ATOM 0 HB2 HIS A 9 15.594 -8.346 13.796 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.644 -7.420 12.650 1.00 0.00 H new ATOM 0 HD1 HIS A 9 12.477 -7.097 13.860 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.740 -11.084 13.940 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.604 -8.416 14.926 1.00 0.00 H new ATOM 139 N HIS A 10 15.999 -7.366 10.469 1.00 0.00 N ATOM 140 CA HIS A 10 16.961 -6.599 9.632 1.00 0.00 C ATOM 141 C HIS A 10 16.634 -5.114 9.523 1.00 0.00 C ATOM 142 O HIS A 10 17.223 -4.395 8.700 1.00 0.00 O ATOM 143 CB HIS A 10 17.205 -7.242 8.227 1.00 0.00 C ATOM 144 CG HIS A 10 16.012 -7.374 7.324 1.00 0.00 C ATOM 145 ND1 HIS A 10 16.114 -7.383 5.953 1.00 0.00 N ATOM 146 CD2 HIS A 10 14.711 -7.573 7.593 1.00 0.00 C ATOM 147 CE1 HIS A 10 14.925 -7.581 5.441 1.00 0.00 C ATOM 148 NE2 HIS A 10 14.075 -7.695 6.408 1.00 0.00 N ATOM 0 H HIS A 10 15.094 -6.919 10.617 1.00 0.00 H new ATOM 0 HA HIS A 10 17.903 -6.663 10.176 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.959 -6.649 7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.628 -8.235 8.377 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.975 -7.256 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.259 -7.626 8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.694 -7.639 4.388 1.00 0.00 H new ATOM 157 N SER A 11 15.713 -4.672 10.330 1.00 0.00 N ATOM 158 CA SER A 11 15.352 -3.291 10.444 1.00 0.00 C ATOM 159 C SER A 11 14.568 -3.099 11.667 1.00 0.00 C ATOM 160 O SER A 11 15.090 -3.182 12.781 1.00 0.00 O ATOM 161 CB SER A 11 14.633 -2.772 9.167 1.00 0.00 C ATOM 162 OG SER A 11 13.460 -3.513 8.901 1.00 0.00 O ATOM 0 H SER A 11 15.177 -5.283 10.946 1.00 0.00 H new ATOM 0 HA SER A 11 16.255 -2.686 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.380 -1.719 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.309 -2.838 8.314 1.00 0.00 H new ATOM 0 HG SER A 11 13.647 -4.187 8.215 1.00 0.00 H new ATOM 168 N GLN A 12 13.359 -2.898 11.479 1.00 0.00 N ATOM 169 CA GLN A 12 12.450 -2.560 12.491 1.00 0.00 C ATOM 170 C GLN A 12 11.190 -3.291 12.182 1.00 0.00 C ATOM 171 O GLN A 12 10.075 -2.860 12.480 1.00 0.00 O ATOM 172 CB GLN A 12 12.279 -1.061 12.462 1.00 0.00 C ATOM 173 CG GLN A 12 13.623 -0.309 12.590 1.00 0.00 C ATOM 174 CD GLN A 12 13.512 1.178 12.355 1.00 0.00 C ATOM 175 OE1 GLN A 12 12.496 1.794 12.625 1.00 0.00 O ATOM 176 NE2 GLN A 12 14.564 1.771 11.852 1.00 0.00 N ATOM 0 H GLN A 12 12.927 -2.965 10.557 1.00 0.00 H new ATOM 0 HA GLN A 12 12.778 -2.836 13.493 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.792 -0.772 11.531 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.618 -0.758 13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.032 -0.481 13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.333 -0.728 11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.401 1.229 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.548 2.776 11.676 1.00 0.00 H new ATOM 185 N ASP A 13 11.418 -4.446 11.620 1.00 0.00 N ATOM 186 CA ASP A 13 10.462 -5.336 11.226 1.00 0.00 C ATOM 187 C ASP A 13 9.783 -5.912 12.442 1.00 0.00 C ATOM 188 O ASP A 13 10.459 -6.222 13.434 1.00 0.00 O ATOM 189 CB ASP A 13 11.093 -6.422 10.347 1.00 0.00 C ATOM 190 CG ASP A 13 12.449 -7.003 10.765 1.00 0.00 C ATOM 191 OD1 ASP A 13 12.553 -8.235 10.901 1.00 0.00 O ATOM 192 OD2 ASP A 13 13.445 -6.241 10.966 1.00 0.00 O ATOM 0 H ASP A 13 12.364 -4.777 11.429 1.00 0.00 H new ATOM 0 HA ASP A 13 9.703 -4.833 10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.385 -7.248 10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.202 -6.014 9.342 1.00 0.00 H new ATOM 197 N PRO A 14 8.457 -6.046 12.410 1.00 0.00 N ATOM 198 CA PRO A 14 7.683 -6.466 13.561 1.00 0.00 C ATOM 199 C PRO A 14 7.758 -7.972 13.804 1.00 0.00 C ATOM 200 O PRO A 14 8.362 -8.404 14.799 1.00 0.00 O ATOM 201 CB PRO A 14 6.254 -5.982 13.231 1.00 0.00 C ATOM 202 CG PRO A 14 6.390 -5.221 11.937 1.00 0.00 C ATOM 203 CD PRO A 14 7.579 -5.818 11.261 1.00 0.00 C ATOM 0 HA PRO A 14 8.059 -6.045 14.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.567 -6.822 13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.860 -5.346 14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.495 -5.323 11.323 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.533 -4.156 12.119 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.336 -6.742 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.022 -5.142 10.529 1.00 0.00 H new ATOM 211 N MET A 15 7.168 -8.779 12.916 1.00 0.00 N ATOM 212 CA MET A 15 7.251 -10.178 13.015 1.00 0.00 C ATOM 213 C MET A 15 8.704 -10.572 12.721 1.00 0.00 C ATOM 214 O MET A 15 9.450 -10.986 13.635 1.00 0.00 O ATOM 215 CB MET A 15 6.255 -10.778 12.023 1.00 0.00 C ATOM 216 CG MET A 15 5.850 -12.167 12.234 1.00 0.00 C ATOM 217 SD MET A 15 7.099 -13.426 11.890 1.00 0.00 S ATOM 218 CE MET A 15 7.293 -13.233 10.114 1.00 0.00 C ATOM 0 H MET A 15 6.626 -8.446 12.119 1.00 0.00 H new ATOM 0 HA MET A 15 6.994 -10.554 14.005 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.357 -10.160 12.032 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.686 -10.700 11.025 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.530 -12.276 13.270 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.980 -12.368 11.609 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.849 -14.081 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.311 -13.189 9.643 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.837 -12.312 9.905 1.00 0.00 H new ATOM 228 N GLU A 16 9.101 -10.355 11.459 1.00 0.00 N ATOM 229 CA GLU A 16 10.479 -10.507 10.942 1.00 0.00 C ATOM 230 C GLU A 16 10.458 -10.613 9.425 1.00 0.00 C ATOM 231 O GLU A 16 9.379 -10.637 8.815 1.00 0.00 O ATOM 232 CB GLU A 16 11.259 -11.715 11.503 1.00 0.00 C ATOM 233 CG GLU A 16 10.732 -13.072 11.111 1.00 0.00 C ATOM 234 CD GLU A 16 11.848 -13.935 10.640 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.474 -14.617 11.470 1.00 0.00 O ATOM 236 OE2 GLU A 16 12.172 -13.869 9.443 1.00 0.00 O ATOM 0 H GLU A 16 8.447 -10.056 10.736 1.00 0.00 H new ATOM 0 HA GLU A 16 11.003 -9.614 11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.296 -11.639 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.264 -11.648 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.235 -13.538 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.985 -12.968 10.324 1.00 0.00 H new ATOM 243 N ASN A 17 11.645 -10.670 8.837 1.00 0.00 N ATOM 244 CA ASN A 17 11.833 -10.838 7.395 1.00 0.00 C ATOM 245 C ASN A 17 13.303 -11.191 7.163 1.00 0.00 C ATOM 246 O ASN A 17 14.028 -10.574 6.392 1.00 0.00 O ATOM 247 CB ASN A 17 11.493 -9.547 6.690 1.00 0.00 C ATOM 248 CG ASN A 17 11.396 -9.632 5.157 1.00 0.00 C ATOM 249 OD1 ASN A 17 12.361 -9.397 4.428 1.00 0.00 O ATOM 250 ND2 ASN A 17 10.223 -9.960 4.663 1.00 0.00 N ATOM 0 H ASN A 17 12.522 -10.600 9.354 1.00 0.00 H new ATOM 0 HA ASN A 17 11.187 -11.624 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.541 -9.183 7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.247 -8.804 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.095 -10.025 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.441 -10.149 5.289 1.00 0.00 H new ATOM 257 N GLN A 18 13.747 -12.133 7.913 1.00 0.00 N ATOM 258 CA GLN A 18 15.042 -12.646 7.845 1.00 0.00 C ATOM 259 C GLN A 18 15.420 -13.158 6.410 1.00 0.00 C ATOM 260 O GLN A 18 16.470 -12.730 5.872 1.00 0.00 O ATOM 261 CB GLN A 18 15.155 -13.695 8.897 1.00 0.00 C ATOM 262 CG GLN A 18 15.237 -13.189 10.287 1.00 0.00 C ATOM 263 CD GLN A 18 15.857 -14.202 11.229 1.00 0.00 C ATOM 264 OE1 GLN A 18 17.078 -14.225 11.417 1.00 0.00 O ATOM 265 NE2 GLN A 18 15.047 -15.022 11.823 1.00 0.00 N ATOM 0 H GLN A 18 13.174 -12.583 8.627 1.00 0.00 H new ATOM 0 HA GLN A 18 15.770 -11.858 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.294 -14.359 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.041 -14.297 8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.826 -12.272 10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.237 -12.933 10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.045 -14.971 11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.412 -15.718 12.473 1.00 0.00 H new ATOM 274 N PRO A 19 14.697 -14.167 5.842 1.00 0.00 N ATOM 275 CA PRO A 19 14.759 -14.473 4.414 1.00 0.00 C ATOM 276 C PRO A 19 14.354 -13.269 3.563 1.00 0.00 C ATOM 277 O PRO A 19 13.344 -12.629 3.807 1.00 0.00 O ATOM 278 CB PRO A 19 13.684 -15.551 4.247 1.00 0.00 C ATOM 279 CG PRO A 19 13.618 -16.232 5.541 1.00 0.00 C ATOM 280 CD PRO A 19 13.881 -15.176 6.559 1.00 0.00 C ATOM 0 HA PRO A 19 15.763 -14.764 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.722 -15.110 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.944 -16.246 3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.641 -16.690 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.358 -17.030 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.952 -14.744 6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.414 -15.579 7.420 1.00 0.00 H new ATOM 288 N LYS A 20 15.188 -12.974 2.595 1.00 0.00 N ATOM 289 CA LYS A 20 14.981 -12.021 1.584 1.00 0.00 C ATOM 290 C LYS A 20 13.706 -12.303 0.833 1.00 0.00 C ATOM 291 O LYS A 20 13.254 -13.427 0.731 1.00 0.00 O ATOM 292 CB LYS A 20 16.126 -12.263 0.681 1.00 0.00 C ATOM 293 CG LYS A 20 17.449 -12.310 1.420 1.00 0.00 C ATOM 294 CD LYS A 20 18.547 -12.981 0.649 1.00 0.00 C ATOM 295 CE LYS A 20 18.188 -14.391 0.208 1.00 0.00 C ATOM 296 NZ LYS A 20 17.529 -14.451 -1.145 1.00 0.00 N ATOM 0 H LYS A 20 16.090 -13.441 2.506 1.00 0.00 H new ATOM 0 HA LYS A 20 14.906 -11.004 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.975 -13.204 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.162 -11.477 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.756 -11.293 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.309 -12.834 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.785 -12.381 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.446 -13.017 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.093 -14.998 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.522 -14.835 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.732 -15.369 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.501 -14.340 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.898 -13.686 -1.745 1.00 0.00 H new ATOM 310 N LEU A 21 13.216 -11.248 0.329 1.00 0.00 N ATOM 311 CA LEU A 21 12.075 -11.042 -0.448 1.00 0.00 C ATOM 312 C LEU A 21 11.949 -11.975 -1.589 1.00 0.00 C ATOM 313 O LEU A 21 10.995 -12.695 -1.711 1.00 0.00 O ATOM 314 CB LEU A 21 12.335 -9.652 -0.957 1.00 0.00 C ATOM 315 CG LEU A 21 12.023 -8.515 -0.029 1.00 0.00 C ATOM 316 CD1 LEU A 21 12.439 -8.695 1.340 1.00 0.00 C ATOM 317 CD2 LEU A 21 12.497 -7.258 -0.495 1.00 0.00 C ATOM 0 H LEU A 21 13.694 -10.360 0.483 1.00 0.00 H new ATOM 0 HA LEU A 21 11.154 -11.191 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.387 -9.584 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.756 -9.512 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 21 10.933 -8.517 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.165 -7.815 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.947 -9.574 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.520 -8.832 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.237 -6.482 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.580 -7.298 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.038 -7.030 -1.457 1.00 0.00 H new ATOM 329 N ASN A 22 12.915 -11.864 -2.456 1.00 0.00 N ATOM 330 CA ASN A 22 13.075 -12.679 -3.645 1.00 0.00 C ATOM 331 C ASN A 22 12.019 -12.322 -4.659 1.00 0.00 C ATOM 332 O ASN A 22 11.792 -13.068 -5.588 1.00 0.00 O ATOM 333 CB ASN A 22 13.016 -14.146 -3.295 1.00 0.00 C ATOM 334 CG ASN A 22 13.840 -14.475 -2.151 1.00 0.00 C ATOM 335 OD1 ASN A 22 14.978 -13.975 -1.956 1.00 0.00 O ATOM 336 ND2 ASN A 22 13.304 -15.236 -1.350 1.00 0.00 N ATOM 0 H ASN A 22 13.655 -11.169 -2.355 1.00 0.00 H new ATOM 0 HA ASN A 22 14.054 -12.480 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.983 -14.426 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.340 -14.735 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.783 -15.486 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.380 -15.618 -1.550 1.00 0.00 H new ATOM 343 N SER A 23 11.393 -11.146 -4.426 1.00 0.00 N ATOM 344 CA SER A 23 10.415 -10.468 -5.331 1.00 0.00 C ATOM 345 C SER A 23 8.930 -10.664 -4.952 1.00 0.00 C ATOM 346 O SER A 23 8.507 -11.701 -4.464 1.00 0.00 O ATOM 347 CB SER A 23 10.678 -10.663 -6.879 1.00 0.00 C ATOM 348 OG SER A 23 10.320 -11.941 -7.349 1.00 0.00 O ATOM 0 H SER A 23 11.556 -10.616 -3.570 1.00 0.00 H new ATOM 0 HA SER A 23 10.625 -9.416 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.118 -9.910 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.734 -10.491 -7.085 1.00 0.00 H new ATOM 0 HG SER A 23 10.558 -12.615 -6.678 1.00 0.00 H new ATOM 354 N SER A 24 8.189 -9.595 -5.162 1.00 0.00 N ATOM 355 CA SER A 24 6.758 -9.462 -4.955 1.00 0.00 C ATOM 356 C SER A 24 6.249 -9.495 -3.490 1.00 0.00 C ATOM 357 O SER A 24 6.532 -8.591 -2.725 1.00 0.00 O ATOM 358 CB SER A 24 5.901 -10.281 -5.944 1.00 0.00 C ATOM 359 OG SER A 24 6.108 -11.681 -5.803 1.00 0.00 O ATOM 0 H SER A 24 8.602 -8.729 -5.509 1.00 0.00 H new ATOM 0 HA SER A 24 6.592 -8.417 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.847 -10.053 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.140 -9.981 -6.964 1.00 0.00 H new ATOM 0 HG SER A 24 6.872 -11.841 -5.210 1.00 0.00 H new ATOM 365 N LYS A 25 5.576 -10.554 -3.105 1.00 0.00 N ATOM 366 CA LYS A 25 4.892 -10.683 -1.894 1.00 0.00 C ATOM 367 C LYS A 25 5.703 -10.347 -0.707 1.00 0.00 C ATOM 368 O LYS A 25 5.394 -9.414 0.036 1.00 0.00 O ATOM 369 CB LYS A 25 4.524 -12.089 -1.831 1.00 0.00 C ATOM 370 CG LYS A 25 4.122 -12.513 -0.488 1.00 0.00 C ATOM 371 CD LYS A 25 2.964 -13.362 -0.506 1.00 0.00 C ATOM 372 CE LYS A 25 3.250 -14.603 -1.318 1.00 0.00 C ATOM 373 NZ LYS A 25 4.497 -15.317 -0.880 1.00 0.00 N ATOM 0 H LYS A 25 5.503 -11.389 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 25 4.050 -9.991 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.706 -12.277 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.368 -12.695 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.949 -13.041 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.915 -11.633 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.689 -13.638 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.116 -12.826 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.402 -15.284 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.345 -14.329 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.347 -16.345 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.287 -15.047 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.721 -15.054 0.101 1.00 0.00 H new ATOM 387 N GLU A 26 6.722 -11.097 -0.526 1.00 0.00 N ATOM 388 CA GLU A 26 7.529 -10.919 0.624 1.00 0.00 C ATOM 389 C GLU A 26 8.373 -9.620 0.616 1.00 0.00 C ATOM 390 O GLU A 26 9.106 -9.335 1.558 1.00 0.00 O ATOM 391 CB GLU A 26 8.290 -12.189 1.127 1.00 0.00 C ATOM 392 CG GLU A 26 8.510 -13.334 0.122 1.00 0.00 C ATOM 393 CD GLU A 26 7.232 -14.077 -0.246 1.00 0.00 C ATOM 394 OE1 GLU A 26 6.768 -13.961 -1.399 1.00 0.00 O ATOM 395 OE2 GLU A 26 6.619 -14.746 0.614 1.00 0.00 O ATOM 0 H GLU A 26 7.020 -11.841 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 26 6.794 -10.761 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.266 -11.872 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.744 -12.591 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.959 -12.929 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.224 -14.042 0.542 1.00 0.00 H new ATOM 402 N VAL A 27 8.226 -8.804 -0.432 1.00 0.00 N ATOM 403 CA VAL A 27 8.833 -7.497 -0.442 1.00 0.00 C ATOM 404 C VAL A 27 7.878 -6.503 0.104 1.00 0.00 C ATOM 405 O VAL A 27 8.297 -5.469 0.537 1.00 0.00 O ATOM 406 CB VAL A 27 9.410 -7.037 -1.787 1.00 0.00 C ATOM 407 CG1 VAL A 27 9.581 -8.156 -2.684 1.00 0.00 C ATOM 408 CG2 VAL A 27 8.624 -5.976 -2.395 1.00 0.00 C ATOM 0 H VAL A 27 7.694 -9.035 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 27 9.712 -7.578 0.198 1.00 0.00 H new ATOM 0 HB VAL A 27 10.394 -6.612 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.991 -7.804 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.265 -8.878 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.616 -8.631 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.075 -5.687 -3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.608 -6.330 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.599 -5.114 -1.728 1.00 0.00 H new ATOM 418 N ILE A 28 6.563 -6.825 0.119 1.00 0.00 N ATOM 419 CA ILE A 28 5.617 -6.000 0.802 1.00 0.00 C ATOM 420 C ILE A 28 6.005 -5.967 2.199 1.00 0.00 C ATOM 421 O ILE A 28 5.910 -4.989 2.864 1.00 0.00 O ATOM 422 CB ILE A 28 4.231 -6.612 0.736 1.00 0.00 C ATOM 423 CG1 ILE A 28 3.671 -6.493 -0.621 1.00 0.00 C ATOM 424 CG2 ILE A 28 3.250 -6.041 1.801 1.00 0.00 C ATOM 425 CD1 ILE A 28 3.960 -5.162 -1.245 1.00 0.00 C ATOM 0 H ILE A 28 6.165 -7.646 -0.337 1.00 0.00 H new ATOM 0 HA ILE A 28 5.601 -5.010 0.346 1.00 0.00 H new ATOM 0 HB ILE A 28 4.351 -7.668 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.081 -7.283 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.592 -6.645 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.278 -6.523 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.644 -6.233 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.140 -4.966 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.525 -5.126 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.527 -4.371 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.038 -5.019 -1.313 1.00 0.00 H new ATOM 437 N ALA A 29 6.414 -7.075 2.603 1.00 0.00 N ATOM 438 CA ALA A 29 6.883 -7.300 3.872 1.00 0.00 C ATOM 439 C ALA A 29 8.096 -6.460 4.202 1.00 0.00 C ATOM 440 O ALA A 29 8.182 -5.914 5.286 1.00 0.00 O ATOM 441 CB ALA A 29 7.097 -8.715 4.033 1.00 0.00 C ATOM 0 H ALA A 29 6.430 -7.907 2.013 1.00 0.00 H new ATOM 0 HA ALA A 29 6.138 -6.978 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.471 -8.915 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.156 -9.245 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.827 -9.058 3.300 1.00 0.00 H new ATOM 447 N PHE A 30 8.996 -6.326 3.263 1.00 0.00 N ATOM 448 CA PHE A 30 10.093 -5.450 3.418 1.00 0.00 C ATOM 449 C PHE A 30 9.564 -4.054 3.429 1.00 0.00 C ATOM 450 O PHE A 30 9.953 -3.248 4.206 1.00 0.00 O ATOM 451 CB PHE A 30 11.002 -5.623 2.252 1.00 0.00 C ATOM 452 CG PHE A 30 11.555 -4.369 1.732 1.00 0.00 C ATOM 453 CD1 PHE A 30 12.488 -3.638 2.451 1.00 0.00 C ATOM 454 CD2 PHE A 30 11.150 -3.916 0.500 1.00 0.00 C ATOM 455 CE1 PHE A 30 12.999 -2.516 1.943 1.00 0.00 C ATOM 456 CE2 PHE A 30 11.661 -2.796 0.029 1.00 0.00 C ATOM 457 CZ PHE A 30 12.588 -2.099 0.739 1.00 0.00 C ATOM 0 H PHE A 30 8.976 -6.828 2.375 1.00 0.00 H new ATOM 0 HA PHE A 30 10.635 -5.657 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.824 -6.278 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.458 -6.127 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.802 -3.979 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.423 -4.470 -0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.735 -1.951 2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.339 -2.427 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.001 -1.192 0.324 1.00 0.00 H new ATOM 467 N LEU A 31 8.686 -3.785 2.523 1.00 0.00 N ATOM 468 CA LEU A 31 8.078 -2.520 2.418 1.00 0.00 C ATOM 469 C LEU A 31 7.475 -2.131 3.704 1.00 0.00 C ATOM 470 O LEU A 31 7.560 -1.052 4.110 1.00 0.00 O ATOM 471 CB LEU A 31 7.051 -2.598 1.336 1.00 0.00 C ATOM 472 CG LEU A 31 7.625 -2.572 0.002 1.00 0.00 C ATOM 473 CD1 LEU A 31 6.580 -2.448 -1.003 1.00 0.00 C ATOM 474 CD2 LEU A 31 8.613 -1.480 -0.100 1.00 0.00 C ATOM 0 H LEU A 31 8.371 -4.458 1.825 1.00 0.00 H new ATOM 0 HA LEU A 31 8.816 -1.757 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.472 -3.514 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.356 -1.765 1.442 1.00 0.00 H new ATOM 0 HG LEU A 31 8.143 -3.513 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.030 -2.430 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.900 -3.297 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.026 -1.524 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.039 -1.467 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.123 -0.527 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.407 -1.639 0.629 1.00 0.00 H new ATOM 486 N ALA A 32 6.959 -3.063 4.340 1.00 0.00 N ATOM 487 CA ALA A 32 6.287 -2.885 5.573 1.00 0.00 C ATOM 488 C ALA A 32 7.188 -2.740 6.762 1.00 0.00 C ATOM 489 O ALA A 32 6.813 -2.137 7.758 1.00 0.00 O ATOM 490 CB ALA A 32 5.428 -4.019 5.712 1.00 0.00 C ATOM 0 H ALA A 32 6.979 -4.032 4.022 1.00 0.00 H new ATOM 0 HA ALA A 32 5.742 -1.941 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.876 -3.945 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.726 -4.048 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.026 -4.930 5.715 1.00 0.00 H new ATOM 496 N GLU A 33 8.363 -3.256 6.657 1.00 0.00 N ATOM 497 CA GLU A 33 9.284 -3.205 7.759 1.00 0.00 C ATOM 498 C GLU A 33 9.987 -1.878 7.761 1.00 0.00 C ATOM 499 O GLU A 33 10.433 -1.330 8.764 1.00 0.00 O ATOM 500 CB GLU A 33 10.247 -4.313 7.608 1.00 0.00 C ATOM 501 CG GLU A 33 11.250 -4.104 6.526 1.00 0.00 C ATOM 502 CD GLU A 33 12.306 -5.116 6.410 1.00 0.00 C ATOM 503 OE1 GLU A 33 13.504 -4.772 6.657 1.00 0.00 O ATOM 504 OE2 GLU A 33 12.005 -6.245 6.059 1.00 0.00 O ATOM 0 H GLU A 33 8.718 -3.721 5.821 1.00 0.00 H new ATOM 0 HA GLU A 33 8.759 -3.312 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.772 -4.455 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.698 -5.233 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.720 -4.053 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.722 -3.134 6.681 1.00 0.00 H new ATOM 511 N ARG A 34 10.056 -1.429 6.593 1.00 0.00 N ATOM 512 CA ARG A 34 10.688 -0.285 6.164 1.00 0.00 C ATOM 513 C ARG A 34 9.735 0.885 6.254 1.00 0.00 C ATOM 514 O ARG A 34 10.115 1.998 6.613 1.00 0.00 O ATOM 515 CB ARG A 34 11.072 -0.618 4.741 1.00 0.00 C ATOM 516 CG ARG A 34 12.436 -0.303 4.385 1.00 0.00 C ATOM 517 CD ARG A 34 13.373 -1.183 5.149 1.00 0.00 C ATOM 518 NE ARG A 34 14.734 -1.153 4.652 1.00 0.00 N ATOM 519 CZ ARG A 34 15.735 -1.900 5.123 1.00 0.00 C ATOM 520 NH1 ARG A 34 15.486 -2.982 5.894 1.00 0.00 N ATOM 521 NH2 ARG A 34 16.971 -1.637 4.742 1.00 0.00 N ATOM 0 H ARG A 34 9.612 -1.922 5.818 1.00 0.00 H new ATOM 0 HA ARG A 34 11.556 0.004 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.906 -1.683 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.404 -0.083 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.584 -0.442 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.646 0.744 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.371 -0.879 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.005 -2.208 5.114 1.00 0.00 H new ATOM 0 HE ARG A 34 14.943 -0.513 3.885 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.525 -3.236 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.259 -3.545 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.153 -0.870 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.744 -2.201 5.095 1.00 0.00 H new ATOM 535 N PHE A 35 8.501 0.634 5.913 1.00 0.00 N ATOM 536 CA PHE A 35 7.462 1.583 6.003 1.00 0.00 C ATOM 537 C PHE A 35 6.337 1.144 6.944 1.00 0.00 C ATOM 538 O PHE A 35 5.223 0.896 6.467 1.00 0.00 O ATOM 539 CB PHE A 35 6.926 1.698 4.627 1.00 0.00 C ATOM 540 CG PHE A 35 7.859 2.288 3.672 1.00 0.00 C ATOM 541 CD1 PHE A 35 8.282 3.593 3.762 1.00 0.00 C ATOM 542 CD2 PHE A 35 8.373 1.503 2.704 1.00 0.00 C ATOM 543 CE1 PHE A 35 9.218 4.073 2.874 1.00 0.00 C ATOM 544 CE2 PHE A 35 9.263 1.956 1.835 1.00 0.00 C ATOM 545 CZ PHE A 35 9.711 3.237 1.891 1.00 0.00 C ATOM 0 H PHE A 35 8.196 -0.271 5.555 1.00 0.00 H new ATOM 0 HA PHE A 35 7.845 2.521 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.641 0.706 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.018 2.300 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.881 4.240 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.049 0.475 2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.564 5.094 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.639 1.295 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.440 3.596 1.179 1.00 0.00 H new ATOM 555 N PRO A 36 6.596 1.047 8.294 1.00 0.00 N ATOM 556 CA PRO A 36 5.580 0.746 9.322 1.00 0.00 C ATOM 557 C PRO A 36 4.238 1.528 9.181 1.00 0.00 C ATOM 558 O PRO A 36 3.240 1.180 9.814 1.00 0.00 O ATOM 559 CB PRO A 36 6.263 1.186 10.625 1.00 0.00 C ATOM 560 CG PRO A 36 7.701 1.400 10.336 1.00 0.00 C ATOM 561 CD PRO A 36 7.934 1.055 8.916 1.00 0.00 C ATOM 0 HA PRO A 36 5.292 -0.303 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.809 2.102 11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.138 0.426 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.979 2.436 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.318 0.779 10.986 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.587 1.784 8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.418 0.083 8.821 1.00 0.00 H new ATOM 569 N HIS A 37 4.222 2.591 8.384 1.00 0.00 N ATOM 570 CA HIS A 37 3.008 3.358 8.178 1.00 0.00 C ATOM 571 C HIS A 37 2.289 2.952 6.914 1.00 0.00 C ATOM 572 O HIS A 37 1.105 2.685 6.954 1.00 0.00 O ATOM 573 CB HIS A 37 3.188 4.908 8.312 1.00 0.00 C ATOM 574 CG HIS A 37 4.467 5.472 7.806 1.00 0.00 C ATOM 575 ND1 HIS A 37 4.948 5.510 6.572 1.00 0.00 N flip ATOM 576 CD2 HIS A 37 5.406 6.096 8.607 1.00 0.00 C flip ATOM 577 CE1 HIS A 37 6.165 6.139 6.617 1.00 0.00 C flip ATOM 578 NE2 HIS A 37 6.421 6.488 7.859 1.00 0.00 N flip ATOM 0 H HIS A 37 5.035 2.937 7.874 1.00 0.00 H new ATOM 0 HA HIS A 37 2.357 3.095 9.012 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.368 5.394 7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.091 5.173 9.365 1.00 0.00 H new ATOM 0 HD1 HIS A 37 4.494 5.138 5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.322 6.240 9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.810 6.319 5.769 1.00 0.00 H new ATOM 587 N CYS A 38 3.000 2.931 5.816 1.00 0.00 N ATOM 588 CA CYS A 38 2.491 2.507 4.559 1.00 0.00 C ATOM 589 C CYS A 38 2.023 1.074 4.558 1.00 0.00 C ATOM 590 O CYS A 38 0.876 0.766 4.266 1.00 0.00 O ATOM 591 CB CYS A 38 3.616 2.650 3.564 1.00 0.00 C ATOM 592 SG CYS A 38 4.490 4.150 3.871 1.00 0.00 S ATOM 0 H CYS A 38 3.978 3.219 5.782 1.00 0.00 H new ATOM 0 HA CYS A 38 1.622 3.117 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.294 1.800 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.219 2.650 2.549 1.00 0.00 H new ATOM 0 HG CYS A 38 5.769 3.932 3.787 1.00 0.00 H new ATOM 598 N PHE A 39 2.914 0.227 4.900 1.00 0.00 N ATOM 599 CA PHE A 39 2.751 -1.133 4.715 1.00 0.00 C ATOM 600 C PHE A 39 2.628 -1.911 6.055 1.00 0.00 C ATOM 601 O PHE A 39 3.068 -1.444 7.100 1.00 0.00 O ATOM 602 CB PHE A 39 3.986 -1.480 3.964 1.00 0.00 C ATOM 603 CG PHE A 39 4.124 -0.987 2.613 1.00 0.00 C ATOM 604 CD1 PHE A 39 3.266 -1.330 1.620 1.00 0.00 C ATOM 605 CD2 PHE A 39 5.156 -0.189 2.337 1.00 0.00 C ATOM 606 CE1 PHE A 39 3.457 -0.848 0.358 1.00 0.00 C ATOM 607 CE2 PHE A 39 5.370 0.283 1.149 1.00 0.00 C ATOM 608 CZ PHE A 39 4.518 -0.027 0.110 1.00 0.00 C ATOM 0 H PHE A 39 3.802 0.485 5.330 1.00 0.00 H new ATOM 0 HA PHE A 39 1.830 -1.398 4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.838 -1.118 4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.062 -2.567 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.432 -1.984 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.838 0.074 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.775 -1.114 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.221 0.923 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.687 0.372 -0.879 1.00 0.00 H new ATOM 618 N SER A 40 1.996 -3.087 5.988 1.00 0.00 N ATOM 619 CA SER A 40 1.804 -3.992 7.133 1.00 0.00 C ATOM 620 C SER A 40 2.849 -5.051 7.208 1.00 0.00 C ATOM 621 O SER A 40 3.754 -4.936 8.000 1.00 0.00 O ATOM 622 CB SER A 40 0.453 -4.639 7.051 1.00 0.00 C ATOM 623 OG SER A 40 -0.618 -3.722 7.262 1.00 0.00 O ATOM 0 H SER A 40 1.595 -3.446 5.122 1.00 0.00 H new ATOM 0 HA SER A 40 1.883 -3.384 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.338 -5.104 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.393 -5.436 7.792 1.00 0.00 H new ATOM 0 HG SER A 40 -1.372 -3.961 6.683 1.00 0.00 H new ATOM 629 N ALA A 41 2.515 -6.194 6.564 1.00 0.00 N ATOM 630 CA ALA A 41 3.333 -7.383 6.252 1.00 0.00 C ATOM 631 C ALA A 41 2.867 -8.362 7.209 1.00 0.00 C ATOM 632 O ALA A 41 2.707 -9.536 6.954 1.00 0.00 O ATOM 633 CB ALA A 41 4.725 -7.089 6.454 1.00 0.00 C ATOM 0 H ALA A 41 1.564 -6.315 6.215 1.00 0.00 H new ATOM 0 HA ALA A 41 3.239 -7.722 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.321 -7.972 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.022 -6.268 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.890 -6.804 7.493 1.00 0.00 H new ATOM 639 N GLU A 42 2.509 -7.762 8.280 1.00 0.00 N ATOM 640 CA GLU A 42 1.905 -8.311 9.379 1.00 0.00 C ATOM 641 C GLU A 42 0.505 -8.638 9.090 1.00 0.00 C ATOM 642 O GLU A 42 -0.018 -9.706 9.344 1.00 0.00 O ATOM 643 CB GLU A 42 1.847 -7.215 10.304 1.00 0.00 C ATOM 644 CG GLU A 42 3.140 -6.700 10.867 1.00 0.00 C ATOM 645 CD GLU A 42 4.030 -7.785 11.439 1.00 0.00 C ATOM 646 OE1 GLU A 42 5.068 -8.106 10.811 1.00 0.00 O ATOM 647 OE2 GLU A 42 3.720 -8.298 12.508 1.00 0.00 O ATOM 0 H GLU A 42 2.661 -6.760 8.396 1.00 0.00 H new ATOM 0 HA GLU A 42 2.431 -9.204 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.345 -6.385 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.215 -7.516 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.683 -6.173 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.922 -5.972 11.648 1.00 0.00 H new ATOM 654 N GLY A 43 -0.051 -7.683 8.495 1.00 0.00 N ATOM 655 CA GLY A 43 -1.434 -7.617 8.285 1.00 0.00 C ATOM 656 C GLY A 43 -1.777 -7.780 6.867 1.00 0.00 C ATOM 657 O GLY A 43 -2.891 -7.494 6.426 1.00 0.00 O ATOM 0 H GLY A 43 0.460 -6.884 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.928 -8.392 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.811 -6.659 8.643 1.00 0.00 H new ATOM 661 N GLU A 44 -0.776 -8.193 6.188 1.00 0.00 N ATOM 662 CA GLU A 44 -0.693 -8.339 4.765 1.00 0.00 C ATOM 663 C GLU A 44 -0.744 -6.978 4.128 1.00 0.00 C ATOM 664 O GLU A 44 0.301 -6.392 3.829 1.00 0.00 O ATOM 665 CB GLU A 44 -1.786 -9.218 4.260 1.00 0.00 C ATOM 666 CG GLU A 44 -1.753 -9.487 2.789 1.00 0.00 C ATOM 667 CD GLU A 44 -3.029 -10.098 2.337 1.00 0.00 C ATOM 668 OE1 GLU A 44 -3.180 -11.320 2.384 1.00 0.00 O ATOM 669 OE2 GLU A 44 -3.952 -9.337 2.019 1.00 0.00 O ATOM 0 H GLU A 44 0.093 -8.466 6.646 1.00 0.00 H new ATOM 0 HA GLU A 44 0.251 -8.816 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.740 -10.170 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.744 -8.761 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.578 -8.557 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.922 -10.153 2.555 1.00 0.00 H new ATOM 676 N ALA A 45 -1.913 -6.409 4.062 1.00 0.00 N ATOM 677 CA ALA A 45 -2.071 -5.204 3.378 1.00 0.00 C ATOM 678 C ALA A 45 -2.605 -4.113 4.268 1.00 0.00 C ATOM 679 O ALA A 45 -2.695 -4.284 5.500 1.00 0.00 O ATOM 680 CB ALA A 45 -2.884 -5.424 2.130 1.00 0.00 C ATOM 0 H ALA A 45 -2.764 -6.781 4.484 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.091 -4.846 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.003 -4.478 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.373 -6.139 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.865 -5.815 2.399 1.00 0.00 H new ATOM 686 N ARG A 46 -2.882 -2.998 3.662 1.00 0.00 N ATOM 687 CA ARG A 46 -3.323 -1.795 4.301 1.00 0.00 C ATOM 688 C ARG A 46 -3.616 -0.866 3.146 1.00 0.00 C ATOM 689 O ARG A 46 -3.118 -1.155 2.042 1.00 0.00 O ATOM 690 CB ARG A 46 -2.150 -1.244 5.143 1.00 0.00 C ATOM 691 CG ARG A 46 -2.453 -0.023 5.984 1.00 0.00 C ATOM 692 CD ARG A 46 -1.249 0.379 6.797 1.00 0.00 C ATOM 693 NE ARG A 46 -0.794 -0.714 7.681 1.00 0.00 N ATOM 694 CZ ARG A 46 0.235 -0.629 8.523 1.00 0.00 C ATOM 695 NH1 ARG A 46 0.922 0.489 8.604 1.00 0.00 N ATOM 696 NH2 ARG A 46 0.585 -1.679 9.261 1.00 0.00 N ATOM 0 H ARG A 46 -2.802 -2.898 2.650 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.184 -1.924 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.799 -2.037 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.328 -1.002 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.754 0.803 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.292 -0.232 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.438 0.667 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.492 1.255 7.398 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.304 -1.597 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.667 1.288 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.710 0.558 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.065 -2.553 9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.373 -1.610 9.904 1.00 0.00 H new ATOM 710 N PRO A 47 -4.476 0.165 3.298 1.00 0.00 N ATOM 711 CA PRO A 47 -4.651 1.143 2.247 1.00 0.00 C ATOM 712 C PRO A 47 -3.308 1.788 1.876 1.00 0.00 C ATOM 713 O PRO A 47 -2.483 2.092 2.739 1.00 0.00 O ATOM 714 CB PRO A 47 -5.673 2.153 2.800 1.00 0.00 C ATOM 715 CG PRO A 47 -6.359 1.427 3.911 1.00 0.00 C ATOM 716 CD PRO A 47 -5.379 0.410 4.437 1.00 0.00 C ATOM 0 HA PRO A 47 -5.016 0.703 1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.182 3.056 3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.381 2.461 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.658 2.119 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.266 0.940 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.836 0.789 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.882 -0.504 4.752 1.00 0.00 H new ATOM 724 N LEU A 48 -3.092 1.904 0.597 1.00 0.00 N ATOM 725 CA LEU A 48 -1.875 2.360 0.012 1.00 0.00 C ATOM 726 C LEU A 48 -2.245 2.943 -1.361 1.00 0.00 C ATOM 727 O LEU A 48 -3.366 2.815 -1.755 1.00 0.00 O ATOM 728 CB LEU A 48 -0.995 1.104 -0.141 1.00 0.00 C ATOM 729 CG LEU A 48 0.018 1.117 -1.195 1.00 0.00 C ATOM 730 CD1 LEU A 48 1.269 1.621 -0.741 1.00 0.00 C ATOM 731 CD2 LEU A 48 0.208 -0.165 -1.843 1.00 0.00 C ATOM 0 H LEU A 48 -3.801 1.669 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.350 3.117 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.490 0.928 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.652 0.252 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.383 1.799 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.986 1.609 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.142 2.643 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.639 0.997 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.975 -0.074 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.521 -0.903 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.729 -0.484 -2.300 1.00 0.00 H new ATOM 743 N LYS A 49 -1.339 3.612 -2.055 1.00 0.00 N ATOM 744 CA LYS A 49 -1.596 4.020 -3.370 1.00 0.00 C ATOM 745 C LYS A 49 -0.834 3.102 -4.270 1.00 0.00 C ATOM 746 O LYS A 49 -0.334 2.114 -3.843 1.00 0.00 O ATOM 747 CB LYS A 49 -1.174 5.431 -3.614 1.00 0.00 C ATOM 748 CG LYS A 49 -2.386 6.348 -3.662 1.00 0.00 C ATOM 749 CD LYS A 49 -3.405 6.013 -4.764 1.00 0.00 C ATOM 750 CE LYS A 49 -3.114 6.776 -6.057 1.00 0.00 C ATOM 751 NZ LYS A 49 -3.171 8.249 -5.859 1.00 0.00 N ATOM 0 H LYS A 49 -0.419 3.872 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.668 3.976 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.496 5.756 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.624 5.495 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.891 6.311 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.043 7.373 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.387 4.941 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.409 6.256 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.128 6.498 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.835 6.485 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.359 8.715 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.932 8.480 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.262 8.584 -5.480 1.00 0.00 H new ATOM 765 N ILE A 50 -0.770 3.371 -5.481 1.00 0.00 N ATOM 766 CA ILE A 50 0.074 2.600 -6.331 1.00 0.00 C ATOM 767 C ILE A 50 1.297 3.315 -6.861 1.00 0.00 C ATOM 768 O ILE A 50 2.387 2.710 -7.031 1.00 0.00 O ATOM 769 CB ILE A 50 -0.720 1.840 -7.344 1.00 0.00 C ATOM 770 CG1 ILE A 50 -0.937 0.464 -6.722 1.00 0.00 C ATOM 771 CG2 ILE A 50 0.000 1.811 -8.645 1.00 0.00 C ATOM 772 CD1 ILE A 50 -1.703 -0.480 -7.527 1.00 0.00 C ATOM 0 H ILE A 50 -1.285 4.121 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 50 0.541 1.851 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.683 2.295 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.037 0.024 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.445 0.594 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.589 1.255 -9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.149 2.830 -9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.968 1.327 -8.515 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.797 -1.424 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.695 -0.072 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.191 -0.650 -8.474 1.00 0.00 H new ATOM 784 N GLY A 51 1.149 4.566 -7.046 1.00 0.00 N ATOM 785 CA GLY A 51 2.243 5.387 -7.533 1.00 0.00 C ATOM 786 C GLY A 51 3.330 5.532 -6.516 1.00 0.00 C ATOM 787 O GLY A 51 4.444 5.824 -6.877 1.00 0.00 O ATOM 0 H GLY A 51 0.281 5.073 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.653 4.944 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.864 6.373 -7.802 1.00 0.00 H new ATOM 791 N ILE A 52 3.002 5.265 -5.235 1.00 0.00 N ATOM 792 CA ILE A 52 3.933 5.135 -4.173 1.00 0.00 C ATOM 793 C ILE A 52 5.146 4.354 -4.579 1.00 0.00 C ATOM 794 O ILE A 52 6.191 4.648 -4.146 1.00 0.00 O ATOM 795 CB ILE A 52 3.314 4.323 -3.049 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.421 3.875 -2.215 1.00 0.00 C ATOM 797 CG2 ILE A 52 2.565 3.124 -3.573 1.00 0.00 C ATOM 798 CD1 ILE A 52 4.147 2.774 -1.400 1.00 0.00 C ATOM 0 H ILE A 52 2.036 5.135 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 52 4.201 6.150 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 52 2.596 4.931 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.264 3.628 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.737 4.705 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.137 2.569 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.766 3.455 -4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.250 2.479 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.035 2.520 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.329 3.018 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.864 1.924 -2.020 1.00 0.00 H new ATOM 810 N PHE A 53 4.960 3.302 -5.342 1.00 0.00 N ATOM 811 CA PHE A 53 5.975 2.413 -5.687 1.00 0.00 C ATOM 812 C PHE A 53 7.243 3.151 -6.054 1.00 0.00 C ATOM 813 O PHE A 53 8.231 2.885 -5.617 1.00 0.00 O ATOM 814 CB PHE A 53 5.505 1.662 -6.848 1.00 0.00 C ATOM 815 CG PHE A 53 6.606 1.026 -7.499 1.00 0.00 C ATOM 816 CD1 PHE A 53 7.150 1.435 -8.714 1.00 0.00 C ATOM 817 CD2 PHE A 53 7.139 0.073 -6.861 1.00 0.00 C ATOM 818 CE1 PHE A 53 8.256 0.752 -9.203 1.00 0.00 C ATOM 819 CE2 PHE A 53 8.143 -0.568 -7.304 1.00 0.00 C ATOM 820 CZ PHE A 53 8.723 -0.281 -8.469 1.00 0.00 C ATOM 0 H PHE A 53 4.053 3.058 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 53 6.201 1.760 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.775 0.915 -6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.999 2.331 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.723 2.262 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.725 -0.207 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.724 1.036 -10.134 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.542 -1.378 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.558 -0.868 -8.822 1.00 0.00 H new ATOM 830 N GLN A 54 7.084 4.086 -6.801 1.00 0.00 N ATOM 831 CA GLN A 54 8.097 5.018 -7.261 1.00 0.00 C ATOM 832 C GLN A 54 8.883 5.718 -6.096 1.00 0.00 C ATOM 833 O GLN A 54 9.923 6.333 -6.266 1.00 0.00 O ATOM 834 CB GLN A 54 7.199 5.906 -8.001 1.00 0.00 C ATOM 835 CG GLN A 54 7.396 7.389 -8.023 1.00 0.00 C ATOM 836 CD GLN A 54 7.307 7.993 -6.786 1.00 0.00 C ATOM 837 OE1 GLN A 54 6.634 7.348 -5.861 1.00 0.00 O flip ATOM 838 NE2 GLN A 54 7.893 9.028 -6.560 1.00 0.00 N flip ATOM 0 H GLN A 54 6.165 4.302 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 54 8.928 4.598 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.210 5.571 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.194 5.727 -7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.374 7.607 -8.451 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.652 7.833 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.404 9.498 -7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.875 9.430 -5.623 1.00 0.00 H new ATOM 847 N ASP A 55 8.309 5.653 -5.031 1.00 0.00 N ATOM 848 CA ASP A 55 8.700 6.421 -3.856 1.00 0.00 C ATOM 849 C ASP A 55 9.373 5.569 -3.005 1.00 0.00 C ATOM 850 O ASP A 55 10.266 5.926 -2.316 1.00 0.00 O ATOM 851 CB ASP A 55 7.511 6.976 -3.126 1.00 0.00 C ATOM 852 CG ASP A 55 7.792 8.069 -2.087 1.00 0.00 C ATOM 853 OD1 ASP A 55 7.467 7.860 -0.899 1.00 0.00 O ATOM 854 OD2 ASP A 55 8.389 9.113 -2.433 1.00 0.00 O ATOM 0 H ASP A 55 7.501 5.051 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 55 9.319 7.259 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.815 7.377 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.004 6.152 -2.625 1.00 0.00 H new ATOM 859 N LEU A 56 8.874 4.419 -3.021 1.00 0.00 N ATOM 860 CA LEU A 56 9.449 3.350 -2.452 1.00 0.00 C ATOM 861 C LEU A 56 10.697 3.276 -3.019 1.00 0.00 C ATOM 862 O LEU A 56 11.613 3.435 -2.394 1.00 0.00 O ATOM 863 CB LEU A 56 8.656 2.324 -2.987 1.00 0.00 C ATOM 864 CG LEU A 56 8.086 1.246 -2.326 1.00 0.00 C ATOM 865 CD1 LEU A 56 7.662 1.611 -1.054 1.00 0.00 C ATOM 866 CD2 LEU A 56 6.895 1.096 -2.953 1.00 0.00 C ATOM 0 H LEU A 56 7.984 4.208 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 56 9.525 3.339 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.822 2.833 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.261 1.883 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 56 8.783 0.409 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.219 0.748 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.514 1.966 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.920 2.406 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.352 0.262 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.310 2.009 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.064 0.896 -4.011 1.00 0.00 H new ATOM 878 N VAL A 57 10.689 3.128 -4.268 1.00 0.00 N ATOM 879 CA VAL A 57 11.852 2.824 -5.036 1.00 0.00 C ATOM 880 C VAL A 57 12.951 3.818 -4.941 1.00 0.00 C ATOM 881 O VAL A 57 14.085 3.525 -5.393 1.00 0.00 O ATOM 882 CB VAL A 57 11.526 2.629 -6.415 1.00 0.00 C ATOM 883 CG1 VAL A 57 10.504 1.647 -6.460 1.00 0.00 C ATOM 884 CG2 VAL A 57 11.071 3.869 -7.036 1.00 0.00 C ATOM 0 H VAL A 57 9.843 3.215 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 57 12.226 1.903 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 57 12.407 2.308 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.221 1.464 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.869 0.722 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.636 2.000 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.832 3.685 -8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.182 4.230 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.859 4.619 -6.970 1.00 0.00 H new ATOM 894 N ASP A 58 12.583 5.010 -4.516 1.00 0.00 N ATOM 895 CA ASP A 58 13.548 6.019 -4.118 1.00 0.00 C ATOM 896 C ASP A 58 14.496 5.397 -3.093 1.00 0.00 C ATOM 897 O ASP A 58 15.713 5.391 -3.203 1.00 0.00 O ATOM 898 CB ASP A 58 12.810 7.005 -3.334 1.00 0.00 C ATOM 899 CG ASP A 58 13.530 8.288 -3.023 1.00 0.00 C ATOM 900 OD1 ASP A 58 13.992 8.963 -3.951 1.00 0.00 O ATOM 901 OD2 ASP A 58 13.574 8.638 -1.817 1.00 0.00 O ATOM 0 H ASP A 58 11.611 5.307 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 58 14.063 6.418 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.893 7.249 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.516 6.542 -2.392 1.00 0.00 H new ATOM 906 N ARG A 59 13.812 4.744 -2.190 1.00 0.00 N ATOM 907 CA ARG A 59 14.234 4.208 -0.991 1.00 0.00 C ATOM 908 C ARG A 59 14.478 2.739 -1.058 1.00 0.00 C ATOM 909 O ARG A 59 15.602 2.280 -1.062 1.00 0.00 O ATOM 910 CB ARG A 59 13.118 4.432 0.005 1.00 0.00 C ATOM 911 CG ARG A 59 12.921 5.818 0.581 1.00 0.00 C ATOM 912 CD ARG A 59 11.531 6.286 0.220 1.00 0.00 C ATOM 913 NE ARG A 59 11.094 7.521 0.870 1.00 0.00 N ATOM 914 CZ ARG A 59 10.401 8.441 0.182 1.00 0.00 C ATOM 915 NH1 ARG A 59 10.726 8.690 -1.074 1.00 0.00 N ATOM 916 NH2 ARG A 59 9.518 9.231 0.789 1.00 0.00 N ATOM 0 H ARG A 59 12.817 4.572 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 59 15.174 4.687 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.184 4.138 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.277 3.748 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.047 5.801 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.668 6.505 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.483 6.428 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.824 5.495 0.469 1.00 0.00 H new ATOM 0 HE ARG A 59 11.317 7.684 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.497 8.185 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.206 9.387 -1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.360 9.142 1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.000 9.925 0.250 1.00 0.00 H new ATOM 930 N VAL A 60 13.382 2.023 -1.245 1.00 0.00 N ATOM 931 CA VAL A 60 13.279 0.642 -0.996 1.00 0.00 C ATOM 932 C VAL A 60 14.241 -0.264 -1.645 1.00 0.00 C ATOM 933 O VAL A 60 14.806 -1.139 -1.036 1.00 0.00 O ATOM 934 CB VAL A 60 11.934 0.216 -1.491 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.962 0.861 -0.809 1.00 0.00 C ATOM 936 CG2 VAL A 60 11.714 0.525 -2.871 1.00 0.00 C ATOM 0 H VAL A 60 12.514 2.432 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 60 13.474 0.551 0.073 1.00 0.00 H new ATOM 0 HB VAL A 60 11.905 -0.864 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.987 0.543 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.044 0.624 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 60 11.071 1.936 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.720 0.189 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.792 1.602 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.463 0.020 -3.481 1.00 0.00 H new ATOM 946 N ALA A 61 14.349 -0.032 -2.871 1.00 0.00 N ATOM 947 CA ALA A 61 14.679 -0.979 -3.774 1.00 0.00 C ATOM 948 C ALA A 61 15.821 -1.854 -3.507 1.00 0.00 C ATOM 949 O ALA A 61 15.741 -2.890 -2.824 1.00 0.00 O ATOM 950 CB ALA A 61 14.634 -0.406 -5.095 1.00 0.00 C ATOM 0 H ALA A 61 14.196 0.890 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 61 13.909 -1.744 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.900 -1.166 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.628 -0.040 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.341 0.422 -5.157 1.00 0.00 H new ATOM 956 N GLY A 62 16.821 -1.456 -3.920 1.00 0.00 N ATOM 957 CA GLY A 62 17.930 -2.292 -3.908 1.00 0.00 C ATOM 958 C GLY A 62 18.807 -2.068 -2.773 1.00 0.00 C ATOM 959 O GLY A 62 20.019 -2.027 -2.872 1.00 0.00 O ATOM 0 H GLY A 62 16.973 -0.523 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.594 -3.329 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.495 -2.147 -4.829 1.00 0.00 H new ATOM 963 N GLU A 63 18.137 -1.886 -1.703 1.00 0.00 N ATOM 964 CA GLU A 63 18.684 -1.869 -0.404 1.00 0.00 C ATOM 965 C GLU A 63 19.149 -3.249 -0.122 1.00 0.00 C ATOM 966 O GLU A 63 20.174 -3.493 0.505 1.00 0.00 O ATOM 967 CB GLU A 63 17.592 -1.593 0.604 1.00 0.00 C ATOM 968 CG GLU A 63 17.146 -0.165 0.730 1.00 0.00 C ATOM 969 CD GLU A 63 16.380 0.086 2.019 1.00 0.00 C ATOM 970 OE1 GLU A 63 17.036 0.334 3.057 1.00 0.00 O ATOM 971 OE2 GLU A 63 15.137 -0.013 2.047 1.00 0.00 O ATOM 0 H GLU A 63 17.128 -1.735 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 63 19.472 -1.118 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.725 -2.200 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.936 -1.931 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.016 0.490 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.516 0.094 -0.121 1.00 0.00 H new ATOM 978 N MET A 64 18.324 -4.165 -0.574 1.00 0.00 N ATOM 979 CA MET A 64 18.533 -5.507 -0.370 1.00 0.00 C ATOM 980 C MET A 64 18.225 -6.272 -1.583 1.00 0.00 C ATOM 981 O MET A 64 19.071 -6.774 -2.288 1.00 0.00 O ATOM 982 CB MET A 64 17.645 -6.056 0.705 1.00 0.00 C ATOM 983 CG MET A 64 17.279 -5.146 1.845 1.00 0.00 C ATOM 984 SD MET A 64 15.813 -5.753 2.668 1.00 0.00 S ATOM 985 CE MET A 64 14.642 -5.491 1.328 1.00 0.00 C ATOM 0 H MET A 64 17.478 -3.951 -1.103 1.00 0.00 H new ATOM 0 HA MET A 64 19.581 -5.605 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 64 16.721 -6.394 0.236 1.00 0.00 H new ATOM 0 HB3 MET A 64 18.131 -6.938 1.123 1.00 0.00 H new ATOM 0 HG2 MET A 64 18.105 -5.087 2.553 1.00 0.00 H new ATOM 0 HG3 MET A 64 17.105 -4.136 1.473 1.00 0.00 H new ATOM 0 HE1 MET A 64 13.640 -5.762 1.662 1.00 0.00 H new ATOM 0 HE2 MET A 64 14.655 -4.442 1.033 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.920 -6.111 0.475 1.00 0.00 H new ATOM 995 N ASN A 65 16.983 -6.295 -1.815 1.00 0.00 N ATOM 996 CA ASN A 65 16.389 -7.237 -2.674 1.00 0.00 C ATOM 997 C ASN A 65 15.498 -6.738 -3.762 1.00 0.00 C ATOM 998 O ASN A 65 14.584 -7.443 -4.085 1.00 0.00 O ATOM 999 CB ASN A 65 15.531 -8.043 -1.780 1.00 0.00 C ATOM 1000 CG ASN A 65 16.137 -8.881 -0.800 1.00 0.00 C ATOM 1001 OD1 ASN A 65 15.529 -8.818 0.300 1.00 0.00 O flip ATOM 1002 ND2 ASN A 65 17.145 -9.531 -0.986 1.00 0.00 N flip ATOM 0 H ASN A 65 16.322 -5.638 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 65 17.205 -7.733 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.866 -7.356 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 65 14.905 -8.675 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.586 -9.536 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.551 -10.072 -0.223 1.00 0.00 H new ATOM 1009 N LEU A 66 15.724 -5.628 -4.330 1.00 0.00 N ATOM 1010 CA LEU A 66 14.778 -5.104 -5.317 1.00 0.00 C ATOM 1011 C LEU A 66 15.427 -4.376 -6.473 1.00 0.00 C ATOM 1012 O LEU A 66 16.298 -3.539 -6.322 1.00 0.00 O ATOM 1013 CB LEU A 66 13.940 -4.131 -4.597 1.00 0.00 C ATOM 1014 CG LEU A 66 12.992 -4.467 -3.510 1.00 0.00 C ATOM 1015 CD1 LEU A 66 12.288 -3.257 -3.071 1.00 0.00 C ATOM 1016 CD2 LEU A 66 12.107 -5.548 -3.912 1.00 0.00 C ATOM 0 H LEU A 66 16.539 -5.040 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 66 14.235 -5.946 -5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.627 -3.396 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.352 -3.620 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 66 13.538 -4.842 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.592 -3.511 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.011 -2.528 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.737 -2.832 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.420 -5.777 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.539 -5.245 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.698 -6.433 -4.148 1.00 0.00 H new ATOM 1028 N SER A 67 14.888 -4.667 -7.595 1.00 0.00 N ATOM 1029 CA SER A 67 15.205 -4.083 -8.866 1.00 0.00 C ATOM 1030 C SER A 67 13.981 -3.210 -9.338 1.00 0.00 C ATOM 1031 O SER A 67 13.728 -3.036 -10.525 1.00 0.00 O ATOM 1032 CB SER A 67 15.438 -5.282 -9.783 1.00 0.00 C ATOM 1033 OG SER A 67 15.611 -4.930 -11.141 1.00 0.00 O ATOM 0 H SER A 67 14.155 -5.373 -7.668 1.00 0.00 H new ATOM 0 HA SER A 67 16.075 -3.426 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.320 -5.824 -9.442 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.592 -5.964 -9.698 1.00 0.00 H new ATOM 0 HG SER A 67 15.098 -4.118 -11.336 1.00 0.00 H new ATOM 1039 N LYS A 68 13.273 -2.634 -8.352 1.00 0.00 N ATOM 1040 CA LYS A 68 11.991 -1.848 -8.489 1.00 0.00 C ATOM 1041 C LYS A 68 10.864 -2.695 -8.996 1.00 0.00 C ATOM 1042 O LYS A 68 9.895 -2.820 -8.360 1.00 0.00 O ATOM 1043 CB LYS A 68 11.983 -0.535 -9.344 1.00 0.00 C ATOM 1044 CG LYS A 68 13.185 0.348 -9.396 1.00 0.00 C ATOM 1045 CD LYS A 68 13.754 0.413 -8.076 1.00 0.00 C ATOM 1046 CE LYS A 68 15.145 1.047 -8.044 1.00 0.00 C ATOM 1047 NZ LYS A 68 15.086 2.549 -8.088 1.00 0.00 N ATOM 0 H LYS A 68 13.577 -2.695 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 68 11.872 -1.525 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.751 -0.822 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.152 0.075 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.914 -0.044 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.910 1.345 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.088 0.984 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.813 -0.594 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.665 0.732 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.728 0.683 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.034 2.928 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.430 2.849 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.753 2.910 -7.171 1.00 0.00 H new ATOM 1061 N THR A 69 11.007 -3.338 -10.087 1.00 0.00 N ATOM 1062 CA THR A 69 9.901 -3.932 -10.722 1.00 0.00 C ATOM 1063 C THR A 69 9.425 -5.165 -10.005 1.00 0.00 C ATOM 1064 O THR A 69 8.259 -5.545 -10.060 1.00 0.00 O ATOM 1065 CB THR A 69 10.264 -4.267 -12.093 1.00 0.00 C ATOM 1066 OG1 THR A 69 11.323 -5.242 -12.067 1.00 0.00 O ATOM 1067 CG2 THR A 69 10.741 -3.055 -12.811 1.00 0.00 C ATOM 0 H THR A 69 11.898 -3.468 -10.567 1.00 0.00 H new ATOM 0 HA THR A 69 9.080 -3.215 -10.708 1.00 0.00 H new ATOM 0 HB THR A 69 9.390 -4.665 -12.609 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.574 -5.476 -12.985 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.009 -3.320 -13.834 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.950 -2.306 -12.826 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.615 -2.650 -12.301 1.00 0.00 H new ATOM 1075 N GLN A 70 10.315 -5.725 -9.297 1.00 0.00 N ATOM 1076 CA GLN A 70 10.032 -6.866 -8.474 1.00 0.00 C ATOM 1077 C GLN A 70 9.400 -6.418 -7.150 1.00 0.00 C ATOM 1078 O GLN A 70 9.095 -7.224 -6.274 1.00 0.00 O ATOM 1079 CB GLN A 70 11.271 -7.611 -8.208 1.00 0.00 C ATOM 1080 CG GLN A 70 12.267 -6.801 -7.645 1.00 0.00 C ATOM 1081 CD GLN A 70 13.251 -7.597 -7.053 1.00 0.00 C ATOM 1082 OE1 GLN A 70 12.899 -8.019 -5.929 1.00 0.00 O flip ATOM 1083 NE2 GLN A 70 14.265 -7.911 -7.618 1.00 0.00 N flip ATOM 0 H GLN A 70 11.285 -5.413 -9.258 1.00 0.00 H new ATOM 0 HA GLN A 70 9.331 -7.514 -8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.056 -8.441 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.640 -8.043 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.712 -6.170 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.829 -6.136 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.479 -7.521 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.911 -8.568 -7.180 1.00 0.00 H new ATOM 1092 N LEU A 71 9.300 -5.135 -7.017 1.00 0.00 N ATOM 1093 CA LEU A 71 8.663 -4.460 -5.940 1.00 0.00 C ATOM 1094 C LEU A 71 7.355 -3.903 -6.465 1.00 0.00 C ATOM 1095 O LEU A 71 6.373 -3.925 -5.784 1.00 0.00 O ATOM 1096 CB LEU A 71 9.598 -3.315 -5.536 1.00 0.00 C ATOM 1097 CG LEU A 71 9.405 -2.535 -4.297 1.00 0.00 C ATOM 1098 CD1 LEU A 71 9.640 -1.088 -4.500 1.00 0.00 C ATOM 1099 CD2 LEU A 71 8.166 -2.778 -3.672 1.00 0.00 C ATOM 0 H LEU A 71 9.688 -4.491 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 71 8.465 -5.109 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.603 -3.735 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.590 -2.601 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 71 10.169 -2.894 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.485 -0.559 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.663 -0.930 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.945 -0.708 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.090 -2.173 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.357 -2.516 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.092 -3.833 -3.410 1.00 0.00 H new ATOM 1111 N ARG A 72 7.332 -3.427 -7.692 1.00 0.00 N ATOM 1112 CA ARG A 72 6.099 -2.842 -8.202 1.00 0.00 C ATOM 1113 C ARG A 72 5.048 -3.900 -8.290 1.00 0.00 C ATOM 1114 O ARG A 72 3.894 -3.638 -8.263 1.00 0.00 O ATOM 1115 CB ARG A 72 6.320 -2.117 -9.567 1.00 0.00 C ATOM 1116 CG ARG A 72 6.786 -2.999 -10.654 1.00 0.00 C ATOM 1117 CD ARG A 72 5.683 -3.789 -11.309 1.00 0.00 C ATOM 1118 NE ARG A 72 4.910 -2.992 -12.287 1.00 0.00 N ATOM 1119 CZ ARG A 72 4.057 -3.508 -13.207 1.00 0.00 C ATOM 1120 NH1 ARG A 72 3.807 -4.825 -13.237 1.00 0.00 N ATOM 1121 NH2 ARG A 72 3.468 -2.701 -14.101 1.00 0.00 N ATOM 0 H ARG A 72 8.120 -3.429 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 72 5.760 -2.073 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.385 -1.648 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.047 -1.317 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.287 -2.395 -11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.529 -3.690 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.112 -4.656 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.008 -4.168 -10.541 1.00 0.00 H new ATOM 0 HE ARG A 72 5.027 -1.979 -12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.259 -5.445 -12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.165 -5.206 -13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.661 -1.700 -14.089 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.827 -3.088 -14.793 1.00 0.00 H new ATOM 1135 N SER A 73 5.495 -5.095 -8.377 1.00 0.00 N ATOM 1136 CA SER A 73 4.723 -6.204 -8.509 1.00 0.00 C ATOM 1137 C SER A 73 4.119 -6.571 -7.225 1.00 0.00 C ATOM 1138 O SER A 73 3.019 -7.059 -7.162 1.00 0.00 O ATOM 1139 CB SER A 73 5.659 -7.176 -8.960 1.00 0.00 C ATOM 1140 OG SER A 73 6.714 -7.317 -8.042 1.00 0.00 O ATOM 0 H SER A 73 6.492 -5.307 -8.353 1.00 0.00 H new ATOM 0 HA SER A 73 3.880 -6.083 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.158 -8.135 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.054 -6.883 -9.933 1.00 0.00 H new ATOM 0 HG SER A 73 7.257 -8.095 -8.285 1.00 0.00 H new ATOM 1146 N ALA A 74 4.812 -6.209 -6.228 1.00 0.00 N ATOM 1147 CA ALA A 74 4.412 -6.408 -4.846 1.00 0.00 C ATOM 1148 C ALA A 74 3.301 -5.475 -4.569 1.00 0.00 C ATOM 1149 O ALA A 74 2.356 -5.741 -3.829 1.00 0.00 O ATOM 1150 CB ALA A 74 5.597 -6.119 -3.938 1.00 0.00 C ATOM 0 H ALA A 74 5.715 -5.744 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 74 4.088 -7.433 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.303 -6.267 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.416 -6.795 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.922 -5.088 -4.080 1.00 0.00 H new ATOM 1156 N LEU A 75 3.345 -4.502 -5.323 1.00 0.00 N ATOM 1157 CA LEU A 75 2.618 -3.365 -5.165 1.00 0.00 C ATOM 1158 C LEU A 75 1.469 -3.287 -6.145 1.00 0.00 C ATOM 1159 O LEU A 75 0.848 -2.252 -6.302 1.00 0.00 O ATOM 1160 CB LEU A 75 3.670 -2.393 -5.308 1.00 0.00 C ATOM 1161 CG LEU A 75 3.994 -1.521 -4.172 1.00 0.00 C ATOM 1162 CD1 LEU A 75 5.341 -1.173 -4.344 1.00 0.00 C ATOM 1163 CD2 LEU A 75 3.253 -0.235 -4.161 1.00 0.00 C ATOM 0 H LEU A 75 3.948 -4.477 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 75 2.070 -3.246 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.579 -2.930 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.413 -1.752 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 75 3.746 -2.057 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.655 -0.520 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.953 -2.075 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.464 -0.653 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.551 0.349 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.481 0.324 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.182 -0.433 -4.117 1.00 0.00 H new ATOM 1175 N ARG A 76 1.284 -4.372 -6.878 1.00 0.00 N ATOM 1176 CA ARG A 76 0.049 -4.690 -7.574 1.00 0.00 C ATOM 1177 C ARG A 76 -0.518 -5.929 -6.908 1.00 0.00 C ATOM 1178 O ARG A 76 -1.686 -6.211 -6.975 1.00 0.00 O ATOM 1179 CB ARG A 76 0.197 -4.997 -9.074 1.00 0.00 C ATOM 1180 CG ARG A 76 0.284 -3.798 -10.015 1.00 0.00 C ATOM 1181 CD ARG A 76 1.534 -3.038 -9.782 1.00 0.00 C ATOM 1182 NE ARG A 76 1.435 -1.919 -8.854 1.00 0.00 N ATOM 1183 CZ ARG A 76 2.222 -0.836 -8.840 1.00 0.00 C ATOM 1184 NH1 ARG A 76 2.844 -0.432 -9.950 1.00 0.00 N ATOM 1185 NH2 ARG A 76 2.318 -0.118 -7.721 1.00 0.00 N ATOM 0 H ARG A 76 2.010 -5.076 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.585 -3.806 -7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.093 -5.602 -9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.651 -5.609 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.247 -4.138 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.577 -3.147 -9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.292 -3.728 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.890 -2.660 -10.740 1.00 0.00 H new ATOM 0 HE ARG A 76 0.698 -1.965 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.722 -0.950 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.441 0.395 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.796 -0.396 -6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.914 0.710 -7.696 1.00 0.00 H new ATOM 1199 N LEU A 77 0.370 -6.638 -6.233 1.00 0.00 N ATOM 1200 CA LEU A 77 0.093 -7.902 -5.586 1.00 0.00 C ATOM 1201 C LEU A 77 -0.784 -7.716 -4.422 1.00 0.00 C ATOM 1202 O LEU A 77 -1.950 -8.081 -4.430 1.00 0.00 O ATOM 1203 CB LEU A 77 1.391 -8.478 -5.064 1.00 0.00 C ATOM 1204 CG LEU A 77 1.372 -9.794 -4.429 1.00 0.00 C ATOM 1205 CD1 LEU A 77 2.507 -10.547 -4.946 1.00 0.00 C ATOM 1206 CD2 LEU A 77 1.663 -9.573 -3.022 1.00 0.00 C ATOM 0 H LEU A 77 1.337 -6.336 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.385 -8.556 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.091 -8.524 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.800 -7.770 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 77 0.425 -10.305 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.524 -11.538 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.416 -10.645 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.432 -10.022 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.662 -10.528 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.642 -9.105 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.903 -8.920 -2.592 1.00 0.00 H new ATOM 1218 N TYR A 78 -0.225 -7.074 -3.420 1.00 0.00 N ATOM 1219 CA TYR A 78 -0.896 -6.967 -2.183 1.00 0.00 C ATOM 1220 C TYR A 78 -1.950 -5.887 -2.314 1.00 0.00 C ATOM 1221 O TYR A 78 -2.820 -5.721 -1.486 1.00 0.00 O ATOM 1222 CB TYR A 78 0.085 -6.747 -1.001 1.00 0.00 C ATOM 1223 CG TYR A 78 0.254 -5.381 -0.553 1.00 0.00 C ATOM 1224 CD1 TYR A 78 0.023 -5.085 0.729 1.00 0.00 C ATOM 1225 CD2 TYR A 78 0.598 -4.393 -1.408 1.00 0.00 C ATOM 1226 CE1 TYR A 78 0.098 -3.835 1.173 1.00 0.00 C ATOM 1227 CE2 TYR A 78 0.693 -3.134 -0.982 1.00 0.00 C ATOM 1228 CZ TYR A 78 0.416 -2.861 0.346 1.00 0.00 C ATOM 1229 OH TYR A 78 0.439 -1.612 0.832 1.00 0.00 O ATOM 0 H TYR A 78 0.691 -6.626 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.393 -7.906 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.258 -7.344 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.062 -7.135 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.230 -5.877 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.797 -4.625 -2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.102 -3.618 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.980 -2.343 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 78 1.331 -1.227 0.702 1.00 0.00 H new ATOM 1239 N THR A 79 -1.837 -5.150 -3.409 1.00 0.00 N ATOM 1240 CA THR A 79 -2.792 -4.087 -3.711 1.00 0.00 C ATOM 1241 C THR A 79 -4.014 -4.643 -4.416 1.00 0.00 C ATOM 1242 O THR A 79 -4.983 -3.951 -4.646 1.00 0.00 O ATOM 1243 CB THR A 79 -2.157 -2.994 -4.532 1.00 0.00 C ATOM 1244 OG1 THR A 79 -1.895 -3.444 -5.838 1.00 0.00 O ATOM 1245 CG2 THR A 79 -0.882 -2.647 -3.884 1.00 0.00 C ATOM 0 H THR A 79 -1.098 -5.265 -4.102 1.00 0.00 H new ATOM 0 HA THR A 79 -3.110 -3.651 -2.764 1.00 0.00 H new ATOM 0 HB THR A 79 -2.826 -2.136 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.683 -3.293 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.390 -1.856 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.072 -2.301 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.238 -3.526 -3.853 1.00 0.00 H new ATOM 1253 N SER A 80 -3.933 -5.893 -4.789 1.00 0.00 N ATOM 1254 CA SER A 80 -5.072 -6.595 -5.292 1.00 0.00 C ATOM 1255 C SER A 80 -5.749 -7.277 -4.124 1.00 0.00 C ATOM 1256 O SER A 80 -6.728 -8.007 -4.288 1.00 0.00 O ATOM 1257 CB SER A 80 -4.687 -7.607 -6.378 1.00 0.00 C ATOM 1258 OG SER A 80 -4.139 -6.952 -7.512 1.00 0.00 O ATOM 0 H SER A 80 -3.077 -6.447 -4.751 1.00 0.00 H new ATOM 0 HA SER A 80 -5.755 -5.890 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.963 -8.317 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.566 -8.180 -6.674 1.00 0.00 H new ATOM 0 HG SER A 80 -3.304 -6.506 -7.260 1.00 0.00 H new ATOM 1264 N SER A 81 -5.217 -7.042 -2.915 1.00 0.00 N ATOM 1265 CA SER A 81 -5.861 -7.532 -1.774 1.00 0.00 C ATOM 1266 C SER A 81 -6.933 -6.601 -1.433 1.00 0.00 C ATOM 1267 O SER A 81 -6.876 -5.438 -1.745 1.00 0.00 O ATOM 1268 CB SER A 81 -4.929 -7.688 -0.608 1.00 0.00 C ATOM 1269 OG SER A 81 -5.615 -8.030 0.585 1.00 0.00 O ATOM 0 H SER A 81 -4.357 -6.521 -2.744 1.00 0.00 H new ATOM 0 HA SER A 81 -6.251 -8.526 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.192 -8.459 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.381 -6.758 -0.456 1.00 0.00 H new ATOM 0 HG SER A 81 -5.125 -8.738 1.053 1.00 0.00 H new ATOM 1275 N TRP A 82 -7.847 -7.098 -0.752 1.00 0.00 N ATOM 1276 CA TRP A 82 -9.032 -6.358 -0.397 1.00 0.00 C ATOM 1277 C TRP A 82 -8.721 -5.463 0.682 1.00 0.00 C ATOM 1278 O TRP A 82 -9.024 -4.315 0.615 1.00 0.00 O ATOM 1279 CB TRP A 82 -10.151 -7.269 0.022 1.00 0.00 C ATOM 1280 CG TRP A 82 -11.441 -6.787 -0.310 1.00 0.00 C ATOM 1281 CD1 TRP A 82 -11.744 -6.010 -1.319 1.00 0.00 C ATOM 1282 CD2 TRP A 82 -12.613 -7.086 0.319 1.00 0.00 C ATOM 1283 NE1 TRP A 82 -13.036 -5.781 -1.366 1.00 0.00 N ATOM 1284 CE2 TRP A 82 -13.609 -6.429 -0.371 1.00 0.00 C ATOM 1285 CE3 TRP A 82 -12.934 -7.828 1.397 1.00 0.00 C ATOM 1286 CZ2 TRP A 82 -14.884 -6.487 -0.019 1.00 0.00 C ATOM 1287 CZ3 TRP A 82 -14.218 -7.878 1.738 1.00 0.00 C ATOM 1288 CH2 TRP A 82 -15.182 -7.200 1.025 1.00 0.00 C ATOM 0 H TRP A 82 -7.831 -8.054 -0.396 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.361 -5.802 -1.275 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.007 -8.243 -0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -10.098 -7.421 1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -11.026 -5.610 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -13.515 -5.201 -2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -12.181 -8.359 1.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -15.645 -5.963 -0.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -14.513 -8.465 2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -16.212 -7.263 1.342 1.00 0.00 H new ATOM 1299 N ARG A 83 -8.088 -5.993 1.662 1.00 0.00 N ATOM 1300 CA ARG A 83 -7.715 -5.284 2.848 1.00 0.00 C ATOM 1301 C ARG A 83 -6.740 -4.180 2.603 1.00 0.00 C ATOM 1302 O ARG A 83 -6.411 -3.399 3.482 1.00 0.00 O ATOM 1303 CB ARG A 83 -7.330 -6.224 3.900 1.00 0.00 C ATOM 1304 CG ARG A 83 -6.172 -7.146 3.592 1.00 0.00 C ATOM 1305 CD ARG A 83 -6.062 -8.204 4.669 1.00 0.00 C ATOM 1306 NE ARG A 83 -5.501 -9.448 4.153 1.00 0.00 N ATOM 1307 CZ ARG A 83 -5.912 -10.681 4.468 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -6.910 -10.849 5.334 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -5.324 -11.737 3.911 1.00 0.00 N ATOM 0 H ARG A 83 -7.800 -6.971 1.669 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.592 -4.750 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.082 -5.652 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.198 -6.837 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.318 -7.617 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.245 -6.575 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.436 -7.832 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.049 -8.398 5.090 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.727 -9.370 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.361 -10.037 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.224 -11.789 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.562 -11.605 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.635 -12.679 4.149 1.00 0.00 H new ATOM 1323 N TYR A 84 -6.293 -4.158 1.415 1.00 0.00 N ATOM 1324 CA TYR A 84 -5.646 -3.049 0.865 1.00 0.00 C ATOM 1325 C TYR A 84 -6.710 -1.945 0.688 1.00 0.00 C ATOM 1326 O TYR A 84 -6.745 -0.982 1.424 1.00 0.00 O ATOM 1327 CB TYR A 84 -5.072 -3.469 -0.467 1.00 0.00 C ATOM 1328 CG TYR A 84 -4.644 -2.355 -1.371 1.00 0.00 C ATOM 1329 CD1 TYR A 84 -3.427 -1.667 -1.257 1.00 0.00 C ATOM 1330 CD2 TYR A 84 -5.500 -1.994 -2.376 1.00 0.00 C ATOM 1331 CE1 TYR A 84 -3.139 -0.678 -2.140 1.00 0.00 C ATOM 1332 CE2 TYR A 84 -5.201 -1.000 -3.254 1.00 0.00 C ATOM 1333 CZ TYR A 84 -4.013 -0.341 -3.134 1.00 0.00 C ATOM 1334 OH TYR A 84 -3.676 0.656 -4.024 1.00 0.00 O ATOM 0 H TYR A 84 -6.372 -4.947 0.773 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.839 -2.676 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.213 -4.114 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.816 -4.070 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.727 -1.922 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.441 -2.514 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.202 -0.148 -2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.896 -0.735 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.364 1.443 -3.531 1.00 0.00 H new ATOM 1344 N LEU A 85 -7.666 -2.206 -0.193 1.00 0.00 N ATOM 1345 CA LEU A 85 -8.665 -1.226 -0.602 1.00 0.00 C ATOM 1346 C LEU A 85 -9.791 -0.938 0.302 1.00 0.00 C ATOM 1347 O LEU A 85 -10.721 -0.237 -0.089 1.00 0.00 O ATOM 1348 CB LEU A 85 -9.179 -1.307 -1.997 1.00 0.00 C ATOM 1349 CG LEU A 85 -9.850 -2.527 -2.591 1.00 0.00 C ATOM 1350 CD1 LEU A 85 -8.917 -3.608 -2.741 1.00 0.00 C ATOM 1351 CD2 LEU A 85 -10.955 -2.963 -1.735 1.00 0.00 C ATOM 0 H LEU A 85 -7.772 -3.112 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.985 -0.376 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.890 -0.488 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.332 -1.082 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.231 -2.251 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.426 -4.471 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.106 -3.300 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.509 -3.875 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.430 -3.841 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.572 -3.213 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.687 -2.160 -1.649 1.00 0.00 H new ATOM 1363 N TYR A 86 -9.713 -1.409 1.467 1.00 0.00 N ATOM 1364 CA TYR A 86 -10.627 -1.132 2.526 1.00 0.00 C ATOM 1365 C TYR A 86 -10.772 0.384 2.735 1.00 0.00 C ATOM 1366 O TYR A 86 -11.721 0.876 3.334 1.00 0.00 O ATOM 1367 CB TYR A 86 -10.078 -1.780 3.710 1.00 0.00 C ATOM 1368 CG TYR A 86 -10.432 -3.189 3.914 1.00 0.00 C ATOM 1369 CD1 TYR A 86 -10.649 -3.964 2.849 1.00 0.00 C ATOM 1370 CD2 TYR A 86 -10.578 -3.743 5.172 1.00 0.00 C ATOM 1371 CE1 TYR A 86 -11.016 -5.238 2.958 1.00 0.00 C ATOM 1372 CE2 TYR A 86 -10.939 -5.055 5.321 1.00 0.00 C ATOM 1373 CZ TYR A 86 -11.172 -5.809 4.199 1.00 0.00 C ATOM 1374 OH TYR A 86 -11.560 -7.117 4.325 1.00 0.00 O ATOM 0 H TYR A 86 -8.965 -2.044 1.747 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.626 -1.508 2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.991 -1.705 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.401 -1.218 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -10.522 -3.541 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.405 -3.134 6.047 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -11.192 -5.826 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.039 -5.489 6.305 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.002 -7.408 3.500 1.00 0.00 H new ATOM 1384 N GLY A 87 -9.797 1.069 2.202 1.00 0.00 N ATOM 1385 CA GLY A 87 -9.763 2.465 2.100 1.00 0.00 C ATOM 1386 C GLY A 87 -8.740 2.871 1.186 1.00 0.00 C ATOM 1387 O GLY A 87 -7.842 3.453 1.575 1.00 0.00 O ATOM 0 H GLY A 87 -8.967 0.622 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.731 2.835 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.579 2.904 3.081 1.00 0.00 H new ATOM 1391 N VAL A 88 -8.904 2.544 -0.081 1.00 0.00 N ATOM 1392 CA VAL A 88 -8.011 2.945 -1.132 1.00 0.00 C ATOM 1393 C VAL A 88 -8.821 3.217 -2.388 1.00 0.00 C ATOM 1394 O VAL A 88 -9.602 2.352 -2.823 1.00 0.00 O ATOM 1395 CB VAL A 88 -7.071 1.856 -1.598 1.00 0.00 C ATOM 1396 CG1 VAL A 88 -6.098 2.435 -2.628 1.00 0.00 C ATOM 1397 CG2 VAL A 88 -6.350 1.298 -0.484 1.00 0.00 C ATOM 0 H VAL A 88 -9.686 1.977 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.462 3.790 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.651 1.056 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.418 1.653 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.658 2.823 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.524 3.242 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.679 0.516 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.769 2.081 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.056 0.873 0.230 1.00 0.00 H new ATOM 1407 N LYS A 89 -8.657 4.371 -2.921 1.00 0.00 N ATOM 1408 CA LYS A 89 -9.103 4.747 -4.257 1.00 0.00 C ATOM 1409 C LYS A 89 -8.649 6.166 -4.513 1.00 0.00 C ATOM 1410 O LYS A 89 -7.966 6.415 -5.485 1.00 0.00 O ATOM 1411 CB LYS A 89 -10.603 4.444 -4.564 1.00 0.00 C ATOM 1412 CG LYS A 89 -11.051 4.785 -5.975 1.00 0.00 C ATOM 1413 CD LYS A 89 -12.403 4.141 -6.312 1.00 0.00 C ATOM 1414 CE LYS A 89 -12.293 2.630 -6.662 1.00 0.00 C ATOM 1415 NZ LYS A 89 -11.717 1.774 -5.576 1.00 0.00 N ATOM 0 H LYS A 89 -8.187 5.133 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.629 4.097 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.788 3.385 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.222 4.998 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.127 5.867 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.299 4.446 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.077 4.263 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.850 4.670 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.286 2.256 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.678 2.522 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.881 0.772 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.695 1.949 -5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.175 2.006 -4.671 1.00 0.00 H new ATOM 1429 N PRO A 90 -9.022 7.130 -3.643 1.00 0.00 N ATOM 1430 CA PRO A 90 -8.340 8.401 -3.582 1.00 0.00 C ATOM 1431 C PRO A 90 -7.197 8.270 -2.578 1.00 0.00 C ATOM 1432 O PRO A 90 -6.595 7.189 -2.442 1.00 0.00 O ATOM 1433 CB PRO A 90 -9.404 9.329 -3.011 1.00 0.00 C ATOM 1434 CG PRO A 90 -10.650 8.536 -2.937 1.00 0.00 C ATOM 1435 CD PRO A 90 -10.187 7.148 -2.762 1.00 0.00 C ATOM 0 HA PRO A 90 -7.934 8.744 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.115 9.692 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.538 10.205 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.276 8.855 -2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.246 8.646 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.925 6.928 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.942 6.421 -3.061 1.00 0.00 H new ATOM 1443 N GLY A 91 -6.972 9.346 -1.772 1.00 0.00 N ATOM 1444 CA GLY A 91 -5.928 9.444 -0.776 1.00 0.00 C ATOM 1445 C GLY A 91 -6.136 8.607 0.438 1.00 0.00 C ATOM 1446 O GLY A 91 -5.649 8.798 1.519 1.00 0.00 O ATOM 0 H GLY A 91 -7.548 10.187 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.981 9.162 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.836 10.486 -0.469 1.00 0.00 H new ATOM 1450 N ALA A 92 -6.865 7.717 0.172 1.00 0.00 N ATOM 1451 CA ALA A 92 -7.299 6.633 0.986 1.00 0.00 C ATOM 1452 C ALA A 92 -6.166 5.823 1.428 1.00 0.00 C ATOM 1453 O ALA A 92 -6.176 5.278 2.513 1.00 0.00 O ATOM 1454 CB ALA A 92 -8.243 5.891 0.165 1.00 0.00 C ATOM 0 H ALA A 92 -7.278 7.657 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.776 6.968 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.622 5.037 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.073 6.541 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.742 5.538 -0.737 1.00 0.00 H new ATOM 1460 N THR A 93 -5.225 5.791 0.586 1.00 0.00 N ATOM 1461 CA THR A 93 -3.925 5.264 0.811 1.00 0.00 C ATOM 1462 C THR A 93 -3.392 5.665 2.179 1.00 0.00 C ATOM 1463 O THR A 93 -2.890 4.867 2.938 1.00 0.00 O ATOM 1464 CB THR A 93 -2.983 5.913 -0.213 1.00 0.00 C ATOM 1465 OG1 THR A 93 -1.684 5.874 0.200 1.00 0.00 O ATOM 1466 CG2 THR A 93 -3.400 7.296 -0.549 1.00 0.00 C ATOM 0 H THR A 93 -5.337 6.158 -0.359 1.00 0.00 H new ATOM 0 HA THR A 93 -3.975 4.178 0.735 1.00 0.00 H new ATOM 0 HB THR A 93 -3.054 5.322 -1.126 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.136 6.430 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.707 7.718 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.405 7.281 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.395 7.907 0.354 1.00 0.00 H new ATOM 1474 N ARG A 94 -3.559 6.939 2.449 1.00 0.00 N ATOM 1475 CA ARG A 94 -2.978 7.621 3.517 1.00 0.00 C ATOM 1476 C ARG A 94 -1.482 7.775 3.381 1.00 0.00 C ATOM 1477 O ARG A 94 -0.893 8.409 4.189 1.00 0.00 O ATOM 1478 CB ARG A 94 -3.317 7.078 4.876 1.00 0.00 C ATOM 1479 CG ARG A 94 -4.628 7.550 5.499 1.00 0.00 C ATOM 1480 CD ARG A 94 -5.869 6.881 4.917 1.00 0.00 C ATOM 1481 NE ARG A 94 -7.077 7.335 5.613 1.00 0.00 N ATOM 1482 CZ ARG A 94 -8.311 7.033 5.271 1.00 0.00 C ATOM 1483 NH1 ARG A 94 -8.547 6.184 4.251 1.00 0.00 N ATOM 1484 NH2 ARG A 94 -9.311 7.550 5.972 1.00 0.00 N ATOM 0 H ARG A 94 -4.148 7.541 1.874 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.437 8.608 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.345 5.990 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.505 7.335 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.596 7.362 6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.714 8.629 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.948 7.111 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.779 5.798 5.003 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.950 7.934 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.767 5.772 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.506 5.954 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.116 8.169 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.275 7.329 5.724 1.00 0.00 H new ATOM 1498 N VAL A 95 -0.849 7.190 2.340 1.00 0.00 N ATOM 1499 CA VAL A 95 0.588 7.204 2.212 1.00 0.00 C ATOM 1500 C VAL A 95 1.171 7.165 0.740 1.00 0.00 C ATOM 1501 O VAL A 95 0.704 6.513 -0.179 1.00 0.00 O ATOM 1502 CB VAL A 95 1.288 6.090 3.031 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.386 5.491 4.014 1.00 0.00 C ATOM 1504 CG2 VAL A 95 1.819 5.057 2.153 1.00 0.00 C ATOM 0 H VAL A 95 -1.332 6.705 1.583 1.00 0.00 H new ATOM 0 HA VAL A 95 0.818 8.188 2.620 1.00 0.00 H new ATOM 0 HB VAL A 95 2.112 6.559 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.915 4.715 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.041 6.259 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.470 5.052 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.306 4.286 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.005 4.612 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.545 5.498 1.470 1.00 0.00 H new ATOM 1514 N ASP A 96 2.119 7.955 0.629 1.00 0.00 N ATOM 1515 CA ASP A 96 3.221 7.888 -0.362 1.00 0.00 C ATOM 1516 C ASP A 96 4.442 7.975 0.470 1.00 0.00 C ATOM 1517 O ASP A 96 4.978 9.031 0.729 1.00 0.00 O ATOM 1518 CB ASP A 96 3.188 8.922 -1.505 1.00 0.00 C ATOM 1519 CG ASP A 96 2.366 8.443 -2.716 1.00 0.00 C ATOM 1520 OD1 ASP A 96 2.006 9.277 -3.562 1.00 0.00 O ATOM 1521 OD2 ASP A 96 2.043 7.222 -2.805 1.00 0.00 O ATOM 0 H ASP A 96 2.214 8.758 1.251 1.00 0.00 H new ATOM 0 HA ASP A 96 3.149 6.968 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.768 9.856 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.208 9.136 -1.825 1.00 0.00 H new ATOM 1526 N LEU A 97 4.595 6.829 1.147 1.00 0.00 N ATOM 1527 CA LEU A 97 5.565 6.398 2.123 1.00 0.00 C ATOM 1528 C LEU A 97 6.036 7.311 3.235 1.00 0.00 C ATOM 1529 O LEU A 97 6.788 6.897 4.123 1.00 0.00 O ATOM 1530 CB LEU A 97 6.552 5.534 1.555 1.00 0.00 C ATOM 1531 CG LEU A 97 6.081 4.731 0.512 1.00 0.00 C ATOM 1532 CD1 LEU A 97 7.090 4.758 -0.557 1.00 0.00 C ATOM 1533 CD2 LEU A 97 6.011 3.427 0.985 1.00 0.00 C ATOM 0 H LEU A 97 3.926 6.077 0.983 1.00 0.00 H new ATOM 0 HA LEU A 97 4.923 5.817 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.380 6.140 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.952 4.892 2.340 1.00 0.00 H new ATOM 0 HG LEU A 97 5.111 5.076 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.754 4.140 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.230 5.783 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.035 4.371 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.646 2.772 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.002 3.100 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.330 3.384 1.835 1.00 0.00 H new ATOM 1545 N ASP A 98 5.529 8.483 3.245 1.00 0.00 N ATOM 1546 CA ASP A 98 5.714 9.417 4.290 1.00 0.00 C ATOM 1547 C ASP A 98 4.597 9.120 5.224 1.00 0.00 C ATOM 1548 O ASP A 98 4.769 8.761 6.388 1.00 0.00 O ATOM 1549 CB ASP A 98 5.490 10.822 3.754 1.00 0.00 C ATOM 1550 CG ASP A 98 5.816 11.883 4.766 1.00 0.00 C ATOM 1551 OD1 ASP A 98 7.003 12.232 4.885 1.00 0.00 O ATOM 1552 OD2 ASP A 98 4.894 12.366 5.417 1.00 0.00 O ATOM 0 H ASP A 98 4.944 8.837 2.488 1.00 0.00 H new ATOM 0 HA ASP A 98 6.707 9.356 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.104 10.971 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.450 10.928 3.444 1.00 0.00 H new ATOM 1557 N GLY A 99 3.455 9.057 4.592 1.00 0.00 N ATOM 1558 CA GLY A 99 2.231 8.866 5.247 1.00 0.00 C ATOM 1559 C GLY A 99 1.295 10.042 4.973 1.00 0.00 C ATOM 1560 O GLY A 99 0.522 10.473 5.811 1.00 0.00 O ATOM 0 H GLY A 99 3.371 9.142 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.770 7.938 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.396 8.766 6.320 1.00 0.00 H new ATOM 1564 N ASN A 100 1.410 10.517 3.740 1.00 0.00 N ATOM 1565 CA ASN A 100 0.602 11.503 3.092 1.00 0.00 C ATOM 1566 C ASN A 100 -0.242 10.692 2.223 1.00 0.00 C ATOM 1567 O ASN A 100 0.297 9.826 1.644 1.00 0.00 O ATOM 1568 CB ASN A 100 1.528 12.249 2.190 1.00 0.00 C ATOM 1569 CG ASN A 100 2.275 13.297 2.784 1.00 0.00 C ATOM 1570 OD1 ASN A 100 1.848 13.965 3.699 1.00 0.00 O ATOM 1571 ND2 ASN A 100 3.384 13.494 2.232 1.00 0.00 N ATOM 0 H ASN A 100 2.147 10.179 3.122 1.00 0.00 H new ATOM 0 HA ASN A 100 0.059 12.171 3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.227 11.536 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.944 12.667 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.984 14.255 2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.685 12.894 1.464 1.00 0.00 H new ATOM 1578 N PRO A 101 -1.517 11.003 2.015 1.00 0.00 N ATOM 1579 CA PRO A 101 -2.542 10.136 1.350 1.00 0.00 C ATOM 1580 C PRO A 101 -2.329 10.135 -0.093 1.00 0.00 C ATOM 1581 O PRO A 101 -3.161 10.551 -0.859 1.00 0.00 O ATOM 1582 CB PRO A 101 -3.809 10.921 1.706 1.00 0.00 C ATOM 1583 CG PRO A 101 -3.361 11.775 2.836 1.00 0.00 C ATOM 1584 CD PRO A 101 -2.114 12.244 2.299 1.00 0.00 C ATOM 0 HA PRO A 101 -2.545 9.088 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.165 11.517 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.626 10.260 1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.057 12.586 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.234 11.213 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.244 12.862 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.541 12.833 3.016 1.00 0.00 H new ATOM 1592 N CYS A 102 -1.149 9.694 -0.435 1.00 0.00 N ATOM 1593 CA CYS A 102 -0.495 9.946 -1.701 1.00 0.00 C ATOM 1594 C CYS A 102 -0.444 11.497 -1.958 1.00 0.00 C ATOM 1595 O CYS A 102 -0.035 12.006 -2.978 1.00 0.00 O ATOM 1596 CB CYS A 102 -1.045 9.021 -2.814 1.00 0.00 C ATOM 1597 SG CYS A 102 -0.705 9.443 -4.531 1.00 0.00 S ATOM 0 H CYS A 102 -0.585 9.119 0.191 1.00 0.00 H new ATOM 0 HA CYS A 102 0.555 9.655 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.654 8.019 -2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.127 8.966 -2.694 1.00 0.00 H new ATOM 0 HG CYS A 102 0.578 9.562 -4.703 1.00 0.00 H new ATOM 1603 N GLY A 103 -0.852 12.200 -0.872 1.00 0.00 N ATOM 1604 CA GLY A 103 -0.938 13.652 -0.742 1.00 0.00 C ATOM 1605 C GLY A 103 -2.073 14.184 -1.536 1.00 0.00 C ATOM 1606 O GLY A 103 -2.254 15.377 -1.727 1.00 0.00 O ATOM 0 H GLY A 103 -1.145 11.726 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.064 13.921 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.007 14.108 -1.079 1.00 0.00 H new ATOM 1610 N GLU A 104 -2.807 13.260 -1.936 1.00 0.00 N ATOM 1611 CA GLU A 104 -3.903 13.355 -2.789 1.00 0.00 C ATOM 1612 C GLU A 104 -5.176 13.703 -2.030 1.00 0.00 C ATOM 1613 O GLU A 104 -6.028 14.440 -2.538 1.00 0.00 O ATOM 1614 CB GLU A 104 -3.941 12.008 -3.481 1.00 0.00 C ATOM 1615 CG GLU A 104 -5.176 11.217 -3.414 1.00 0.00 C ATOM 1616 CD GLU A 104 -4.966 9.948 -4.184 1.00 0.00 C ATOM 1617 OE1 GLU A 104 -4.420 8.988 -3.620 1.00 0.00 O ATOM 1618 OE2 GLU A 104 -5.284 9.883 -5.367 1.00 0.00 O ATOM 0 H GLU A 104 -2.642 12.297 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.821 14.164 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.709 12.170 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.136 11.401 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.428 10.994 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.011 11.780 -3.831 1.00 0.00 H new ATOM 1625 N LEU A 105 -5.334 13.192 -0.817 1.00 0.00 N ATOM 1626 CA LEU A 105 -6.479 13.510 -0.110 1.00 0.00 C ATOM 1627 C LEU A 105 -6.171 13.799 1.380 1.00 0.00 C ATOM 1628 O LEU A 105 -5.057 13.784 1.791 1.00 0.00 O ATOM 1629 CB LEU A 105 -7.524 12.397 -0.377 1.00 0.00 C ATOM 1630 CG LEU A 105 -8.967 12.774 -0.108 1.00 0.00 C ATOM 1631 CD1 LEU A 105 -9.919 11.977 -0.907 1.00 0.00 C ATOM 1632 CD2 LEU A 105 -9.218 12.524 1.250 1.00 0.00 C ATOM 0 H LEU A 105 -4.676 12.572 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.914 14.449 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.437 12.084 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.273 11.533 0.238 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.106 13.821 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.938 12.288 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.724 12.134 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.799 10.920 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.251 12.784 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.053 11.468 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.545 13.126 1.861 1.00 0.00 H new ATOM 1644 N ASP A 106 -7.171 14.247 2.042 1.00 0.00 N ATOM 1645 CA ASP A 106 -7.383 14.375 3.475 1.00 0.00 C ATOM 1646 C ASP A 106 -7.712 12.926 3.939 1.00 0.00 C ATOM 1647 O ASP A 106 -7.144 11.963 3.413 1.00 0.00 O ATOM 1648 CB ASP A 106 -8.631 15.349 3.499 1.00 0.00 C ATOM 1649 CG ASP A 106 -9.585 15.310 4.632 1.00 0.00 C ATOM 1650 OD1 ASP A 106 -9.182 15.281 5.766 1.00 0.00 O ATOM 1651 OD2 ASP A 106 -10.786 15.221 4.330 1.00 0.00 O ATOM 0 H ASP A 106 -7.989 14.587 1.537 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.580 14.755 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.248 16.367 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.202 15.165 2.589 1.00 0.00 H new ATOM 1656 N GLU A 107 -8.559 12.762 4.855 1.00 0.00 N ATOM 1657 CA GLU A 107 -9.069 11.461 5.154 1.00 0.00 C ATOM 1658 C GLU A 107 -10.569 11.441 5.312 1.00 0.00 C ATOM 1659 O GLU A 107 -11.170 10.380 5.400 1.00 0.00 O ATOM 1660 CB GLU A 107 -8.397 10.852 6.299 1.00 0.00 C ATOM 1661 CG GLU A 107 -9.162 11.004 7.565 1.00 0.00 C ATOM 1662 CD GLU A 107 -8.829 9.880 8.523 1.00 0.00 C ATOM 1663 OE1 GLU A 107 -8.191 8.885 8.062 1.00 0.00 O ATOM 1664 OE2 GLU A 107 -9.354 9.849 9.645 1.00 0.00 O ATOM 0 H GLU A 107 -8.935 13.513 5.434 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.842 10.846 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.240 9.792 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.412 11.304 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.928 11.964 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.231 11.005 7.353 1.00 0.00 H new ATOM 1671 N GLN A 108 -11.159 12.576 5.224 1.00 0.00 N ATOM 1672 CA GLN A 108 -12.552 12.739 5.325 1.00 0.00 C ATOM 1673 C GLN A 108 -13.059 12.744 3.966 1.00 0.00 C ATOM 1674 O GLN A 108 -14.225 13.004 3.675 1.00 0.00 O ATOM 1675 CB GLN A 108 -12.904 13.966 6.091 1.00 0.00 C ATOM 1676 CG GLN A 108 -14.336 13.956 6.527 1.00 0.00 C ATOM 1677 CD GLN A 108 -14.676 15.027 7.548 1.00 0.00 C ATOM 1678 OE1 GLN A 108 -13.723 15.394 8.374 1.00 0.00 O flip ATOM 1679 NE2 GLN A 108 -15.789 15.521 7.598 1.00 0.00 N flip ATOM 0 H GLN A 108 -10.658 13.451 5.073 1.00 0.00 H new ATOM 0 HA GLN A 108 -13.013 11.928 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -12.258 14.047 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -12.718 14.846 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -14.973 14.087 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -14.570 12.979 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -16.511 15.218 6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -15.998 16.237 8.293 1.00 0.00 H new ATOM 1688 N HIS A 109 -12.176 12.426 3.061 1.00 0.00 N ATOM 1689 CA HIS A 109 -12.639 12.229 1.775 1.00 0.00 C ATOM 1690 C HIS A 109 -12.268 10.894 1.322 1.00 0.00 C ATOM 1691 O HIS A 109 -12.897 10.308 0.461 1.00 0.00 O ATOM 1692 CB HIS A 109 -12.223 13.296 0.887 1.00 0.00 C ATOM 1693 CG HIS A 109 -12.495 14.731 1.367 1.00 0.00 C ATOM 1694 ND1 HIS A 109 -13.688 15.142 1.933 1.00 0.00 N ATOM 1695 CD2 HIS A 109 -11.674 15.806 1.439 1.00 0.00 C ATOM 1696 CE1 HIS A 109 -13.583 16.396 2.325 1.00 0.00 C ATOM 1697 NE2 HIS A 109 -12.369 16.825 2.043 1.00 0.00 N ATOM 0 H HIS A 109 -11.174 12.308 3.209 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.728 12.275 1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.153 13.193 0.707 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.722 13.156 -0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -14.522 14.563 2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -10.655 15.853 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.362 16.975 2.798 1.00 0.00 H new ATOM 1706 N VAL A 110 -11.305 10.375 1.963 1.00 0.00 N ATOM 1707 CA VAL A 110 -10.984 9.030 1.760 1.00 0.00 C ATOM 1708 C VAL A 110 -11.649 8.234 2.807 1.00 0.00 C ATOM 1709 O VAL A 110 -11.366 7.089 3.089 1.00 0.00 O ATOM 1710 CB VAL A 110 -9.572 8.758 1.645 1.00 0.00 C ATOM 1711 CG1 VAL A 110 -9.225 9.329 0.388 1.00 0.00 C ATOM 1712 CG2 VAL A 110 -8.811 9.408 2.700 1.00 0.00 C ATOM 0 H VAL A 110 -10.720 10.866 2.639 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.360 8.735 0.780 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.354 7.693 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.162 9.177 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -9.805 8.851 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.442 10.397 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.752 9.179 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.958 10.487 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.152 9.046 3.670 1.00 0.00 H new ATOM 1722 N GLU A 111 -12.498 8.946 3.360 1.00 0.00 N ATOM 1723 CA GLU A 111 -13.503 8.585 4.230 1.00 0.00 C ATOM 1724 C GLU A 111 -14.464 7.741 3.492 1.00 0.00 C ATOM 1725 O GLU A 111 -14.882 6.701 3.940 1.00 0.00 O ATOM 1726 CB GLU A 111 -14.112 9.869 4.756 1.00 0.00 C ATOM 1727 CG GLU A 111 -15.315 9.657 5.579 1.00 0.00 C ATOM 1728 CD GLU A 111 -16.586 9.895 4.755 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -17.163 8.926 4.233 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -16.937 11.072 4.516 1.00 0.00 O ATOM 0 H GLU A 111 -12.510 9.952 3.190 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.152 8.001 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.366 10.399 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.367 10.512 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.317 8.641 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.299 10.332 6.435 1.00 0.00 H new ATOM 1737 N HIS A 112 -14.705 8.146 2.290 1.00 0.00 N ATOM 1738 CA HIS A 112 -15.582 7.430 1.419 1.00 0.00 C ATOM 1739 C HIS A 112 -14.908 6.267 0.853 1.00 0.00 C ATOM 1740 O HIS A 112 -15.519 5.381 0.334 1.00 0.00 O ATOM 1741 CB HIS A 112 -16.073 8.325 0.364 1.00 0.00 C ATOM 1742 CG HIS A 112 -16.889 9.453 0.926 1.00 0.00 C ATOM 1743 ND1 HIS A 112 -18.249 9.396 1.106 1.00 0.00 N ATOM 1744 CD2 HIS A 112 -16.489 10.616 1.456 1.00 0.00 C ATOM 1745 CE1 HIS A 112 -18.642 10.485 1.743 1.00 0.00 C ATOM 1746 NE2 HIS A 112 -17.588 11.243 1.975 1.00 0.00 N ATOM 0 H HIS A 112 -14.298 8.987 1.880 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.436 7.069 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -15.227 8.730 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -16.677 7.756 -0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -15.477 10.992 1.471 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -19.658 10.716 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.592 12.141 2.458 1.00 0.00 H new ATOM 1755 N ALA A 113 -13.665 6.282 0.968 1.00 0.00 N ATOM 1756 CA ALA A 113 -12.879 5.255 0.556 1.00 0.00 C ATOM 1757 C ALA A 113 -12.777 4.240 1.623 1.00 0.00 C ATOM 1758 O ALA A 113 -12.723 3.051 1.379 1.00 0.00 O ATOM 1759 CB ALA A 113 -11.608 5.797 0.273 1.00 0.00 C ATOM 0 H ALA A 113 -13.148 7.060 1.377 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.297 4.771 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.941 5.003 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -11.700 6.550 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -11.200 6.257 1.173 1.00 0.00 H new ATOM 1765 N ARG A 114 -12.830 4.754 2.800 1.00 0.00 N ATOM 1766 CA ARG A 114 -12.758 4.029 4.007 1.00 0.00 C ATOM 1767 C ARG A 114 -14.073 3.260 4.144 1.00 0.00 C ATOM 1768 O ARG A 114 -14.205 2.344 4.933 1.00 0.00 O ATOM 1769 CB ARG A 114 -12.648 5.037 5.162 1.00 0.00 C ATOM 1770 CG ARG A 114 -12.036 4.556 6.465 1.00 0.00 C ATOM 1771 CD ARG A 114 -12.138 5.680 7.501 1.00 0.00 C ATOM 1772 NE ARG A 114 -11.085 5.631 8.531 1.00 0.00 N ATOM 1773 CZ ARG A 114 -10.542 6.744 9.098 1.00 0.00 C ATOM 1774 NH1 ARG A 114 -11.137 7.928 8.959 1.00 0.00 N ATOM 1775 NH2 ARG A 114 -9.449 6.667 9.849 1.00 0.00 N ATOM 0 H ARG A 114 -12.931 5.758 2.949 1.00 0.00 H new ATOM 0 HA ARG A 114 -11.905 3.351 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -12.063 5.887 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -13.650 5.408 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -12.556 3.666 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -10.994 4.277 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.089 6.641 6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.112 5.628 7.987 1.00 0.00 H new ATOM 0 HE ARG A 114 -10.746 4.718 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.003 8.004 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.726 8.758 9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -9.003 5.764 10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -9.056 7.511 10.266 1.00 0.00 H new ATOM 1789 N LYS A 115 -15.050 3.680 3.338 1.00 0.00 N ATOM 1790 CA LYS A 115 -16.295 3.206 3.365 1.00 0.00 C ATOM 1791 C LYS A 115 -16.526 2.468 2.062 1.00 0.00 C ATOM 1792 O LYS A 115 -17.334 1.628 2.028 1.00 0.00 O ATOM 1793 CB LYS A 115 -17.246 4.429 3.588 1.00 0.00 C ATOM 1794 CG LYS A 115 -18.098 4.868 2.384 1.00 0.00 C ATOM 1795 CD LYS A 115 -19.565 4.442 2.565 1.00 0.00 C ATOM 1796 CE LYS A 115 -19.604 2.974 2.855 1.00 0.00 C ATOM 1797 NZ LYS A 115 -20.923 2.379 3.129 1.00 0.00 N ATOM 0 H LYS A 115 -14.910 4.405 2.634 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.485 2.496 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.918 4.192 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.640 5.278 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.041 5.950 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.698 4.428 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.023 5.001 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.137 4.665 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.166 2.450 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.961 2.782 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.885 1.845 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.635 3.133 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.183 1.738 2.352 1.00 0.00 H new ATOM 1811 N GLN A 116 -15.783 2.748 0.989 1.00 0.00 N ATOM 1812 CA GLN A 116 -16.037 2.018 -0.241 1.00 0.00 C ATOM 1813 C GLN A 116 -15.840 0.495 -0.137 1.00 0.00 C ATOM 1814 O GLN A 116 -16.285 -0.283 -0.968 1.00 0.00 O ATOM 1815 CB GLN A 116 -15.486 2.675 -1.499 1.00 0.00 C ATOM 1816 CG GLN A 116 -14.028 2.909 -1.421 1.00 0.00 C ATOM 1817 CD GLN A 116 -13.182 1.784 -2.002 1.00 0.00 C ATOM 1818 OE1 GLN A 116 -12.808 1.831 -3.172 1.00 0.00 O ATOM 1819 NE2 GLN A 116 -12.979 0.741 -1.267 1.00 0.00 N ATOM 0 H GLN A 116 -15.036 3.442 0.949 1.00 0.00 H new ATOM 0 HA GLN A 116 -17.114 2.108 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -15.704 2.044 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.995 3.625 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.792 3.834 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -13.750 3.055 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.300 0.729 -0.299 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.498 -0.070 -1.655 1.00 0.00 H new ATOM 1828 N LEU A 117 -15.151 0.097 0.876 1.00 0.00 N ATOM 1829 CA LEU A 117 -15.001 -1.183 1.230 1.00 0.00 C ATOM 1830 C LEU A 117 -15.979 -1.676 2.208 1.00 0.00 C ATOM 1831 O LEU A 117 -16.172 -2.825 2.312 1.00 0.00 O ATOM 1832 CB LEU A 117 -13.648 -1.361 1.506 1.00 0.00 C ATOM 1833 CG LEU A 117 -13.123 -2.398 0.618 1.00 0.00 C ATOM 1834 CD1 LEU A 117 -13.220 -3.705 1.257 1.00 0.00 C ATOM 1835 CD2 LEU A 117 -13.794 -2.411 -0.804 1.00 0.00 C ATOM 0 H LEU A 117 -14.660 0.743 1.494 1.00 0.00 H new ATOM 0 HA LEU A 117 -15.264 -1.856 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -13.106 -0.427 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.509 -1.649 2.548 1.00 0.00 H new ATOM 0 HG LEU A 117 -12.074 -2.157 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.826 -4.468 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.643 -3.702 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -14.264 -3.923 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.354 -3.206 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.865 -2.585 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.629 -1.451 -1.293 1.00 0.00 H new ATOM 1847 N GLU A 118 -16.734 -0.769 2.758 1.00 0.00 N ATOM 1848 CA GLU A 118 -17.899 -1.055 3.499 1.00 0.00 C ATOM 1849 C GLU A 118 -19.061 -0.886 2.549 1.00 0.00 C ATOM 1850 O GLU A 118 -20.194 -0.658 2.946 1.00 0.00 O ATOM 1851 CB GLU A 118 -18.080 -0.188 4.758 1.00 0.00 C ATOM 1852 CG GLU A 118 -17.474 -0.775 6.027 1.00 0.00 C ATOM 1853 CD GLU A 118 -18.116 -2.114 6.435 1.00 0.00 C ATOM 1854 OE1 GLU A 118 -17.780 -2.639 7.521 1.00 0.00 O ATOM 1855 OE2 GLU A 118 -18.869 -2.701 5.635 1.00 0.00 O ATOM 0 H GLU A 118 -16.534 0.229 2.691 1.00 0.00 H new ATOM 0 HA GLU A 118 -17.829 -2.071 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -17.633 0.790 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -19.145 -0.026 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -16.404 -0.921 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -17.588 -0.060 6.842 1.00 0.00 H new ATOM 1862 N GLU A 119 -18.701 -0.889 1.278 1.00 0.00 N ATOM 1863 CA GLU A 119 -19.610 -0.960 0.205 1.00 0.00 C ATOM 1864 C GLU A 119 -19.444 -2.306 -0.335 1.00 0.00 C ATOM 1865 O GLU A 119 -20.385 -2.966 -0.717 1.00 0.00 O ATOM 1866 CB GLU A 119 -19.282 0.022 -0.888 1.00 0.00 C ATOM 1867 CG GLU A 119 -19.282 1.404 -0.423 1.00 0.00 C ATOM 1868 CD GLU A 119 -20.639 1.985 -0.030 1.00 0.00 C ATOM 1869 OE1 GLU A 119 -20.931 3.103 -0.440 1.00 0.00 O ATOM 1870 OE2 GLU A 119 -21.362 1.380 0.787 1.00 0.00 O ATOM 0 H GLU A 119 -17.727 -0.839 0.980 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.619 -0.733 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.303 -0.217 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.006 -0.085 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.617 1.476 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.856 2.029 -1.208 1.00 0.00 H new ATOM 1877 N ALA A 120 -18.175 -2.738 -0.380 1.00 0.00 N ATOM 1878 CA ALA A 120 -17.907 -4.010 -0.837 1.00 0.00 C ATOM 1879 C ALA A 120 -18.294 -5.058 0.140 1.00 0.00 C ATOM 1880 O ALA A 120 -19.063 -5.887 -0.162 1.00 0.00 O ATOM 1881 CB ALA A 120 -16.544 -4.090 -1.329 1.00 0.00 C ATOM 0 H ALA A 120 -17.360 -2.193 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.545 -4.223 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -16.345 -5.100 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -16.410 -3.382 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.851 -3.848 -0.523 1.00 0.00 H new ATOM 1887 N LYS A 121 -17.824 -4.920 1.298 1.00 0.00 N ATOM 1888 CA LYS A 121 -18.063 -5.764 2.433 1.00 0.00 C ATOM 1889 C LYS A 121 -19.450 -5.961 2.691 1.00 0.00 C ATOM 1890 O LYS A 121 -19.931 -7.044 2.669 1.00 0.00 O ATOM 1891 CB LYS A 121 -17.386 -5.140 3.573 1.00 0.00 C ATOM 1892 CG LYS A 121 -16.017 -5.523 3.653 1.00 0.00 C ATOM 1893 CD LYS A 121 -15.179 -4.675 4.538 1.00 0.00 C ATOM 1894 CE LYS A 121 -15.916 -4.117 5.700 1.00 0.00 C ATOM 1895 NZ LYS A 121 -16.357 -5.073 6.731 1.00 0.00 N ATOM 0 H LYS A 121 -17.199 -4.147 1.525 1.00 0.00 H new ATOM 0 HA LYS A 121 -17.670 -6.762 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -17.455 -4.056 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -17.896 -5.420 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -15.963 -6.553 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -15.591 -5.506 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.337 -5.265 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.764 -3.854 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -15.281 -3.371 6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -16.795 -3.593 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -17.295 -4.795 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.410 -6.027 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.677 -5.073 7.518 1.00 0.00 H new ATOM 1909 N ALA A 122 -20.043 -4.927 2.911 1.00 0.00 N ATOM 1910 CA ALA A 122 -21.414 -4.790 3.089 1.00 0.00 C ATOM 1911 C ALA A 122 -22.253 -5.348 1.931 1.00 0.00 C ATOM 1912 O ALA A 122 -23.452 -5.539 2.072 1.00 0.00 O ATOM 1913 CB ALA A 122 -21.666 -3.384 3.220 1.00 0.00 C ATOM 0 H ALA A 122 -19.553 -4.035 2.985 1.00 0.00 H new ATOM 0 HA ALA A 122 -21.708 -5.365 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -22.734 -3.217 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -21.120 -2.995 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -21.336 -2.870 2.317 1.00 0.00 H new ATOM 1919 N ARG A 123 -21.623 -5.600 0.784 1.00 0.00 N ATOM 1920 CA ARG A 123 -22.315 -6.106 -0.331 1.00 0.00 C ATOM 1921 C ARG A 123 -22.147 -7.565 -0.360 1.00 0.00 C ATOM 1922 O ARG A 123 -22.966 -8.316 -0.886 1.00 0.00 O ATOM 1923 CB ARG A 123 -21.771 -5.498 -1.596 1.00 0.00 C ATOM 1924 CG ARG A 123 -21.111 -6.486 -2.540 1.00 0.00 C ATOM 1925 CD ARG A 123 -20.225 -5.785 -3.502 1.00 0.00 C ATOM 1926 NE ARG A 123 -19.606 -6.707 -4.477 1.00 0.00 N ATOM 1927 CZ ARG A 123 -18.864 -6.331 -5.541 1.00 0.00 C ATOM 1928 NH1 ARG A 123 -18.653 -5.029 -5.788 1.00 0.00 N ATOM 1929 NH2 ARG A 123 -18.342 -7.258 -6.357 1.00 0.00 N ATOM 0 H ARG A 123 -20.625 -5.450 0.633 1.00 0.00 H new ATOM 0 HA ARG A 123 -23.373 -5.855 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -22.585 -5.000 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -21.045 -4.729 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -20.532 -7.211 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -21.875 -7.044 -3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -20.800 -5.029 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -19.442 -5.261 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 123 -19.751 -7.707 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -19.053 -4.322 -5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -18.092 -4.747 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.505 -8.248 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.782 -6.973 -7.160 1.00 0.00 H new ATOM 1943 N VAL A 124 -21.075 -7.934 0.208 1.00 0.00 N ATOM 1944 CA VAL A 124 -20.626 -9.270 0.147 1.00 0.00 C ATOM 1945 C VAL A 124 -21.324 -9.985 1.181 1.00 0.00 C ATOM 1946 O VAL A 124 -22.165 -10.858 0.949 1.00 0.00 O ATOM 1947 CB VAL A 124 -19.140 -9.353 0.382 1.00 0.00 C ATOM 1948 CG1 VAL A 124 -18.702 -10.750 0.420 1.00 0.00 C ATOM 1949 CG2 VAL A 124 -18.378 -8.600 -0.632 1.00 0.00 C ATOM 0 H VAL A 124 -20.469 -7.310 0.740 1.00 0.00 H new ATOM 0 HA VAL A 124 -20.822 -9.693 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.938 -8.893 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -17.626 -10.789 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -19.217 -11.271 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -18.937 -11.231 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -17.311 -8.687 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -18.589 -9.006 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -18.669 -7.550 -0.601 1.00 0.00 H new ATOM 1959 N GLN A 125 -21.048 -9.422 2.280 1.00 0.00 N ATOM 1960 CA GLN A 125 -21.541 -9.616 3.537 1.00 0.00 C ATOM 1961 C GLN A 125 -22.045 -11.006 3.837 1.00 0.00 C ATOM 1962 O GLN A 125 -21.518 -11.988 3.291 1.00 0.00 O ATOM 1963 CB GLN A 125 -22.495 -8.538 3.569 1.00 0.00 C ATOM 1964 CG GLN A 125 -23.788 -8.643 2.757 1.00 0.00 C ATOM 1965 CD GLN A 125 -24.977 -9.236 3.468 1.00 0.00 C ATOM 1966 OE1 GLN A 125 -25.120 -9.122 4.684 1.00 0.00 O ATOM 1967 NE2 GLN A 125 -25.839 -9.871 2.721 1.00 0.00 N ATOM 0 H GLN A 125 -20.342 -8.686 2.295 1.00 0.00 H new ATOM 0 HA GLN A 125 -20.809 -9.581 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -22.777 -8.384 4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -21.978 -7.636 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -24.058 -7.645 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -23.587 -9.242 1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -25.686 -9.944 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -26.666 -10.294 3.143 1.00 0.00 H new ATOM 1976 N ALA A 126 -23.006 -11.091 4.755 1.00 0.00 N ATOM 1977 CA ALA A 126 -23.684 -12.287 5.089 1.00 0.00 C ATOM 1978 C ALA A 126 -22.785 -13.353 5.741 1.00 0.00 C ATOM 1979 O ALA A 126 -22.872 -13.607 6.944 1.00 0.00 O ATOM 1980 CB ALA A 126 -24.380 -12.734 3.855 1.00 0.00 C ATOM 0 H ALA A 126 -23.326 -10.285 5.291 1.00 0.00 H new ATOM 0 HA ALA A 126 -24.414 -12.105 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -24.922 -13.658 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -25.082 -11.964 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -23.647 -12.908 3.067 1.00 0.00 H new ATOM 1986 N GLN A 127 -21.943 -13.950 4.949 1.00 0.00 N ATOM 1987 CA GLN A 127 -20.988 -14.818 5.310 1.00 0.00 C ATOM 1988 C GLN A 127 -19.849 -14.069 5.967 1.00 0.00 C ATOM 1989 O GLN A 127 -19.599 -12.907 5.678 1.00 0.00 O ATOM 1990 CB GLN A 127 -20.519 -15.431 4.016 1.00 0.00 C ATOM 1991 CG GLN A 127 -20.476 -16.890 4.053 1.00 0.00 C ATOM 1992 CD GLN A 127 -19.461 -17.429 5.046 1.00 0.00 C ATOM 1993 OE1 GLN A 127 -19.755 -17.637 6.212 1.00 0.00 O ATOM 1994 NE2 GLN A 127 -18.255 -17.650 4.589 1.00 0.00 N ATOM 0 H GLN A 127 -21.954 -13.788 3.942 1.00 0.00 H new ATOM 0 HA GLN A 127 -21.346 -15.567 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -21.181 -15.114 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -19.525 -15.051 3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -21.465 -17.271 4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -20.238 -17.266 3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -18.039 -17.466 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -17.531 -18.006 5.213 1.00 0.00 H new ATOM 2003 N ARG A 128 -19.193 -14.738 6.873 1.00 0.00 N ATOM 2004 CA ARG A 128 -18.035 -14.245 7.503 1.00 0.00 C ATOM 2005 C ARG A 128 -16.918 -13.860 6.554 1.00 0.00 C ATOM 2006 O ARG A 128 -16.060 -13.058 6.890 1.00 0.00 O ATOM 2007 CB ARG A 128 -17.504 -15.178 8.536 1.00 0.00 C ATOM 2008 CG ARG A 128 -18.109 -15.015 9.911 1.00 0.00 C ATOM 2009 CD ARG A 128 -17.723 -13.680 10.482 1.00 0.00 C ATOM 2010 NE ARG A 128 -16.260 -13.444 10.430 1.00 0.00 N ATOM 2011 CZ ARG A 128 -15.664 -12.346 9.891 1.00 0.00 C ATOM 2012 NH1 ARG A 128 -16.403 -11.347 9.395 1.00 0.00 N ATOM 2013 NH2 ARG A 128 -14.343 -12.283 9.833 1.00 0.00 N ATOM 0 H ARG A 128 -19.470 -15.667 7.192 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.378 -13.330 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -17.671 -16.202 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -16.426 -15.039 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.194 -15.096 9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.765 -15.815 10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.235 -12.891 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -18.062 -13.619 11.516 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.653 -14.160 10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.421 -11.405 9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -15.948 -10.527 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -13.779 -13.054 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -13.889 -11.463 9.430 1.00 0.00 H new ATOM 2027 N ALA A 129 -16.886 -14.504 5.427 1.00 0.00 N ATOM 2028 CA ALA A 129 -15.935 -14.236 4.436 1.00 0.00 C ATOM 2029 C ALA A 129 -16.014 -12.831 3.883 1.00 0.00 C ATOM 2030 O ALA A 129 -16.849 -12.520 3.046 1.00 0.00 O ATOM 2031 CB ALA A 129 -15.981 -15.221 3.361 1.00 0.00 C ATOM 0 H ALA A 129 -17.543 -15.244 5.182 1.00 0.00 H new ATOM 0 HA ALA A 129 -14.969 -14.315 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -15.228 -14.977 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -15.782 -16.213 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -16.968 -15.210 2.899 1.00 0.00 H new ATOM 2037 N GLU A 130 -15.110 -12.043 4.357 1.00 0.00 N ATOM 2038 CA GLU A 130 -14.929 -10.660 4.041 1.00 0.00 C ATOM 2039 C GLU A 130 -13.656 -10.190 4.719 1.00 0.00 C ATOM 2040 O GLU A 130 -12.617 -10.044 4.072 1.00 0.00 O ATOM 2041 CB GLU A 130 -16.214 -9.762 4.278 1.00 0.00 C ATOM 2042 CG GLU A 130 -16.934 -9.868 5.643 1.00 0.00 C ATOM 2043 CD GLU A 130 -16.449 -8.901 6.697 1.00 0.00 C ATOM 2044 OE1 GLU A 130 -15.862 -9.357 7.709 1.00 0.00 O ATOM 2045 OE2 GLU A 130 -16.630 -7.673 6.538 1.00 0.00 O ATOM 0 H GLU A 130 -14.420 -12.374 5.031 1.00 0.00 H new ATOM 0 HA GLU A 130 -14.800 -10.540 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.925 -8.721 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.938 -10.003 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -18.001 -9.708 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -16.816 -10.883 6.021 1.00 0.00 H new ATOM 2052 N GLN A 131 -13.690 -10.066 6.012 1.00 0.00 N ATOM 2053 CA GLN A 131 -12.493 -9.777 6.765 1.00 0.00 C ATOM 2054 C GLN A 131 -11.983 -11.083 7.324 1.00 0.00 C ATOM 2055 O GLN A 131 -12.069 -11.355 8.523 1.00 0.00 O ATOM 2056 CB GLN A 131 -12.755 -8.771 7.880 1.00 0.00 C ATOM 2057 CG GLN A 131 -13.277 -7.443 7.383 1.00 0.00 C ATOM 2058 CD GLN A 131 -13.775 -6.577 8.501 1.00 0.00 C ATOM 2059 OE1 GLN A 131 -15.029 -6.744 8.839 1.00 0.00 O flip ATOM 2060 NE2 GLN A 131 -13.050 -5.778 9.063 1.00 0.00 N flip ATOM 0 H GLN A 131 -14.535 -10.160 6.575 1.00 0.00 H new ATOM 0 HA GLN A 131 -11.748 -9.321 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -13.474 -9.196 8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -11.831 -8.605 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -12.485 -6.921 6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -14.085 -7.615 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -12.078 -5.677 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -13.414 -5.209 9.827 1.00 0.00 H new ATOM 2069 N GLN A 132 -11.562 -11.926 6.426 1.00 0.00 N ATOM 2070 CA GLN A 132 -11.070 -13.219 6.746 1.00 0.00 C ATOM 2071 C GLN A 132 -9.636 -13.386 6.354 1.00 0.00 C ATOM 2072 O GLN A 132 -9.032 -12.501 5.735 1.00 0.00 O ATOM 2073 CB GLN A 132 -11.921 -14.319 6.121 1.00 0.00 C ATOM 2074 CG GLN A 132 -13.164 -14.655 6.916 1.00 0.00 C ATOM 2075 CD GLN A 132 -12.852 -15.236 8.305 1.00 0.00 C ATOM 2076 OE1 GLN A 132 -13.607 -15.023 9.260 1.00 0.00 O ATOM 2077 NE2 GLN A 132 -11.782 -16.014 8.422 1.00 0.00 N ATOM 0 H GLN A 132 -11.554 -11.720 5.427 1.00 0.00 H new ATOM 0 HA GLN A 132 -11.135 -13.313 7.830 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -12.215 -14.012 5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -11.315 -15.219 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -13.768 -13.755 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -13.764 -15.372 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -11.176 -16.172 7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -11.566 -16.453 9.317 1.00 0.00 H new ATOM 2086 N ALA A 133 -9.116 -14.493 6.718 1.00 0.00 N ATOM 2087 CA ALA A 133 -7.815 -14.932 6.457 1.00 0.00 C ATOM 2088 C ALA A 133 -7.977 -16.398 6.549 1.00 0.00 C ATOM 2089 O ALA A 133 -7.314 -17.127 5.833 1.00 0.00 O ATOM 2090 CB ALA A 133 -6.847 -14.431 7.514 1.00 0.00 C ATOM 2091 OXT ALA A 133 -8.952 -16.781 7.280 1.00 0.00 O ATOM 0 H ALA A 133 -9.648 -15.176 7.258 1.00 0.00 H new ATOM 0 HA ALA A 133 -7.410 -14.582 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.843 -14.788 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.852 -13.341 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -7.151 -14.804 8.492 1.00 0.00 H new TER 2097 ALA A 133