USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 981 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 55 CYS SG : rot 34:sc= 1.3 USER MOD Set 1.2: A 69 HIS :FLIP no HE2:sc= 0.0775 F(o=0.41,f=1.4) USER MOD Set 2.1: A 42 MET CE :methyl -115:sc= -3.16 (180deg=0) USER MOD Set 2.2: A 93 ASN : amide:sc= -9.5! C(o=-13!,f=-15!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-1.7) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 MET N :NH3+ -171:sc= -4.89! (180deg=0) USER MOD Set 4.2: A 4 HIS :FLIP no HE2:sc= -4.12! C(o=-14!,f=-9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= 0.00319 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 8 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.87) USER MOD Single : A 10 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.014) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.16) USER MOD Single : A 22 TYR OH : rot -94:sc= 0.0891 USER MOD Single : A 26 THR OG1 : rot -53:sc= 0.921 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 29 ASN : amide:sc= -3.27 K(o=-3.3,f=-4.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -56:sc= 0.00729 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 172:sc= -0.756 (180deg=-0.797) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.07 F(o=-1.9!,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.86) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.405 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.437 F(o=-1.5,f=-0.44) USER MOD Single : A 79 GLN : amide:sc= -0.0564 K(o=-0.056,f=-0.95) USER MOD Single : A 82 MET CE :methyl -111:sc= -3.51! (180deg=-5.37!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0.0441 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc=-0.00104 (180deg=-0.0946) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0689 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.01 F(o=-2.6!,f=-1) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -6.83! C(o=-6.8!,f=-9.9!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.910 -2.257 -34.770 1.00 0.00 N ATOM 2 CA MET A 1 -27.588 -1.971 -36.029 1.00 0.00 C ATOM 3 C MET A 1 -26.587 -1.878 -37.176 1.00 0.00 C ATOM 4 O MET A 1 -26.730 -2.554 -38.195 1.00 0.00 O ATOM 5 CB MET A 1 -28.381 -0.667 -35.921 1.00 0.00 C ATOM 6 CG MET A 1 -29.618 -0.633 -36.804 1.00 0.00 C ATOM 7 SD MET A 1 -29.217 -0.505 -38.557 1.00 0.00 S ATOM 8 CE MET A 1 -30.846 -0.643 -39.288 1.00 0.00 C ATOM 0 H1 MET A 1 -27.616 -2.466 -34.035 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.283 -3.078 -34.892 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.347 -1.431 -34.484 1.00 0.00 H new ATOM 0 HA MET A 1 -28.277 -2.790 -36.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.681 -0.519 -34.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.731 0.167 -36.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.205 -1.535 -36.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.242 0.213 -36.515 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.764 -0.581 -40.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.289 -1.600 -39.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.477 0.168 -38.925 1.00 0.00 H new ATOM 18 N LYS A 2 -25.573 -1.036 -37.005 1.00 0.00 N ATOM 19 CA LYS A 2 -24.547 -0.854 -38.025 1.00 0.00 C ATOM 20 C LYS A 2 -23.363 -0.069 -37.471 1.00 0.00 C ATOM 21 O LYS A 2 -23.536 0.865 -36.688 1.00 0.00 O ATOM 22 CB LYS A 2 -25.130 -0.129 -39.240 1.00 0.00 C ATOM 23 CG LYS A 2 -24.342 -0.356 -40.519 1.00 0.00 C ATOM 24 CD LYS A 2 -25.136 0.063 -41.745 1.00 0.00 C ATOM 25 CE LYS A 2 -25.148 1.575 -41.911 1.00 0.00 C ATOM 26 NZ LYS A 2 -23.918 2.067 -42.592 1.00 0.00 N ATOM 0 H LYS A 2 -25.440 -0.468 -36.168 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.196 -1.839 -38.332 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -26.157 -0.461 -39.392 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.168 0.940 -39.031 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -23.410 0.208 -40.478 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.074 -1.409 -40.600 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -24.705 -0.398 -42.634 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -26.159 -0.303 -41.660 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -26.025 1.870 -42.487 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -25.235 2.047 -40.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.119 2.974 -43.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.162 2.200 -41.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.612 1.371 -43.302 1.00 0.00 H new ATOM 40 N ASP A 3 -22.160 -0.452 -37.884 1.00 0.00 N ATOM 41 CA ASP A 3 -20.946 0.218 -37.431 1.00 0.00 C ATOM 42 C ASP A 3 -20.820 0.146 -35.912 1.00 0.00 C ATOM 43 O ASP A 3 -20.452 1.125 -35.262 1.00 0.00 O ATOM 44 CB ASP A 3 -20.944 1.678 -37.887 1.00 0.00 C ATOM 45 CG ASP A 3 -21.347 1.831 -39.340 1.00 0.00 C ATOM 46 OD1 ASP A 3 -20.469 1.695 -40.217 1.00 0.00 O ATOM 47 OD2 ASP A 3 -22.541 2.089 -39.601 1.00 0.00 O ATOM 0 H ASP A 3 -21.999 -1.223 -38.532 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.091 -0.294 -37.873 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.627 2.252 -37.261 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.949 2.099 -37.743 1.00 0.00 H new ATOM 52 N HIS A 4 -21.129 -1.020 -35.353 1.00 0.00 N ATOM 53 CA HIS A 4 -21.050 -1.220 -33.910 1.00 0.00 C ATOM 54 C HIS A 4 -19.978 -2.247 -33.561 1.00 0.00 C ATOM 55 O HIS A 4 -19.906 -3.316 -34.169 1.00 0.00 O ATOM 56 CB HIS A 4 -22.404 -1.672 -33.362 1.00 0.00 C ATOM 57 CG HIS A 4 -23.108 -2.657 -34.244 1.00 0.00 C ATOM 58 ND1 HIS A 4 -22.631 -3.493 -35.195 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 -24.471 -2.863 -34.204 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 -23.702 -4.183 -35.706 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 -24.801 -3.785 -35.091 1.00 0.00 N flip ATOM 0 H HIS A 4 -21.436 -1.840 -35.877 1.00 0.00 H new ATOM 0 HA HIS A 4 -20.779 -0.269 -33.451 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -22.258 -2.117 -32.378 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -23.041 -0.798 -33.225 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -21.656 -3.592 -35.479 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -25.161 -2.351 -33.550 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.654 -4.930 -36.484 1.00 0.00 H new ATOM 70 N LEU A 5 -19.145 -1.917 -32.580 1.00 0.00 N ATOM 71 CA LEU A 5 -18.075 -2.811 -32.151 1.00 0.00 C ATOM 72 C LEU A 5 -18.052 -2.942 -30.631 1.00 0.00 C ATOM 73 O LEU A 5 -18.879 -2.352 -29.935 1.00 0.00 O ATOM 74 CB LEU A 5 -16.724 -2.297 -32.650 1.00 0.00 C ATOM 75 CG LEU A 5 -16.601 -0.782 -32.818 1.00 0.00 C ATOM 76 CD1 LEU A 5 -17.506 -0.294 -33.938 1.00 0.00 C ATOM 77 CD2 LEU A 5 -16.935 -0.073 -31.513 1.00 0.00 C ATOM 0 H LEU A 5 -19.190 -1.037 -32.067 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.263 -3.795 -32.580 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.953 -2.629 -31.955 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.511 -2.767 -33.610 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.570 -0.547 -33.083 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.405 0.786 -34.043 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.221 -0.777 -34.873 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.541 -0.540 -33.703 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.842 1.004 -31.650 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.956 -0.315 -31.219 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.246 -0.400 -30.734 1.00 0.00 H new ATOM 89 N ILE A 6 -17.099 -3.716 -30.124 1.00 0.00 N ATOM 90 CA ILE A 6 -16.966 -3.921 -28.687 1.00 0.00 C ATOM 91 C ILE A 6 -15.505 -4.098 -28.289 1.00 0.00 C ATOM 92 O ILE A 6 -14.787 -4.914 -28.869 1.00 0.00 O ATOM 93 CB ILE A 6 -17.767 -5.150 -28.217 1.00 0.00 C ATOM 94 CG1 ILE A 6 -19.227 -5.035 -28.662 1.00 0.00 C ATOM 95 CG2 ILE A 6 -17.679 -5.294 -26.705 1.00 0.00 C ATOM 96 CD1 ILE A 6 -20.018 -6.310 -28.472 1.00 0.00 C ATOM 0 H ILE A 6 -16.408 -4.212 -30.687 1.00 0.00 H new ATOM 0 HA ILE A 6 -17.366 -3.030 -28.203 1.00 0.00 H new ATOM 0 HB ILE A 6 -17.336 -6.041 -28.673 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.707 -4.232 -28.102 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.257 -4.752 -29.714 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -18.250 -6.167 -26.389 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.637 -5.417 -26.411 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -18.087 -4.402 -26.230 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -21.043 -6.156 -28.808 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -19.562 -7.111 -29.054 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.019 -6.583 -27.417 1.00 0.00 H new ATOM 108 N HIS A 7 -15.070 -3.330 -27.295 1.00 0.00 N ATOM 109 CA HIS A 7 -13.694 -3.404 -26.818 1.00 0.00 C ATOM 110 C HIS A 7 -13.639 -3.982 -25.407 1.00 0.00 C ATOM 111 O HIS A 7 -13.145 -3.339 -24.482 1.00 0.00 O ATOM 112 CB HIS A 7 -13.049 -2.018 -26.840 1.00 0.00 C ATOM 113 CG HIS A 7 -13.167 -1.323 -28.161 1.00 0.00 C ATOM 114 ND1 HIS A 7 -12.588 -1.802 -29.318 1.00 0.00 N ATOM 115 CD2 HIS A 7 -13.804 -0.180 -28.506 1.00 0.00 C ATOM 116 CE1 HIS A 7 -12.863 -0.982 -30.316 1.00 0.00 C ATOM 117 NE2 HIS A 7 -13.600 0.010 -29.851 1.00 0.00 N ATOM 0 H HIS A 7 -15.650 -2.650 -26.805 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.139 -4.065 -27.484 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.511 -1.399 -26.071 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.994 -2.113 -26.582 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.368 0.463 -27.847 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.540 -1.102 -31.339 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.959 0.790 -30.401 1.00 0.00 H new ATOM 126 N ASN A 8 -14.149 -5.199 -25.250 1.00 0.00 N ATOM 127 CA ASN A 8 -14.159 -5.863 -23.952 1.00 0.00 C ATOM 128 C ASN A 8 -13.220 -7.065 -23.948 1.00 0.00 C ATOM 129 O ASN A 8 -13.579 -8.148 -24.412 1.00 0.00 O ATOM 130 CB ASN A 8 -15.578 -6.309 -23.594 1.00 0.00 C ATOM 131 CG ASN A 8 -15.599 -7.328 -22.472 1.00 0.00 C ATOM 132 OD1 ASN A 8 -15.490 -8.531 -22.708 1.00 0.00 O ATOM 133 ND2 ASN A 8 -15.738 -6.849 -21.241 1.00 0.00 N ATOM 0 H ASN A 8 -14.561 -5.746 -26.006 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.810 -5.150 -23.205 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.166 -5.439 -23.302 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.055 -6.735 -24.477 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.758 -7.486 -20.445 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.825 -5.844 -21.092 1.00 0.00 H new ATOM 140 N VAL A 9 -12.016 -6.868 -23.422 1.00 0.00 N ATOM 141 CA VAL A 9 -11.025 -7.936 -23.356 1.00 0.00 C ATOM 142 C VAL A 9 -10.136 -7.786 -22.126 1.00 0.00 C ATOM 143 O VAL A 9 -9.409 -6.802 -21.989 1.00 0.00 O ATOM 144 CB VAL A 9 -10.140 -7.959 -24.616 1.00 0.00 C ATOM 145 CG1 VAL A 9 -10.978 -8.245 -25.853 1.00 0.00 C ATOM 146 CG2 VAL A 9 -9.389 -6.644 -24.763 1.00 0.00 C ATOM 0 H VAL A 9 -11.703 -5.978 -23.035 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.575 -8.875 -23.290 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.408 -8.760 -24.510 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.335 -8.257 -26.733 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.465 -9.214 -25.746 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.735 -7.469 -25.967 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.768 -6.678 -25.658 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.103 -5.825 -24.847 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.757 -6.486 -23.889 1.00 0.00 H new ATOM 156 N HIS A 10 -10.199 -8.769 -21.234 1.00 0.00 N ATOM 157 CA HIS A 10 -9.399 -8.747 -20.015 1.00 0.00 C ATOM 158 C HIS A 10 -8.050 -9.423 -20.239 1.00 0.00 C ATOM 159 O HIS A 10 -7.892 -10.618 -19.987 1.00 0.00 O ATOM 160 CB HIS A 10 -10.147 -9.441 -18.876 1.00 0.00 C ATOM 161 CG HIS A 10 -10.424 -10.890 -19.136 1.00 0.00 C ATOM 162 ND1 HIS A 10 -9.639 -11.907 -18.636 1.00 0.00 N ATOM 163 CD2 HIS A 10 -11.406 -11.490 -19.847 1.00 0.00 C ATOM 164 CE1 HIS A 10 -10.126 -13.070 -19.030 1.00 0.00 C ATOM 165 NE2 HIS A 10 -11.199 -12.845 -19.766 1.00 0.00 N ATOM 0 H HIS A 10 -10.796 -9.591 -21.332 1.00 0.00 H new ATOM 0 HA HIS A 10 -9.224 -7.706 -19.743 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.563 -9.350 -17.960 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.091 -8.924 -18.705 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.205 -10.995 -20.380 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.716 -14.040 -18.791 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.779 -13.561 -20.203 1.00 0.00 H new ATOM 174 N LYS A 11 -7.079 -8.651 -20.715 1.00 0.00 N ATOM 175 CA LYS A 11 -5.742 -9.173 -20.973 1.00 0.00 C ATOM 176 C LYS A 11 -4.688 -8.367 -20.221 1.00 0.00 C ATOM 177 O LYS A 11 -4.748 -7.139 -20.177 1.00 0.00 O ATOM 178 CB LYS A 11 -5.443 -9.148 -22.474 1.00 0.00 C ATOM 179 CG LYS A 11 -4.061 -9.668 -22.827 1.00 0.00 C ATOM 180 CD LYS A 11 -4.099 -11.135 -23.219 1.00 0.00 C ATOM 181 CE LYS A 11 -4.121 -12.039 -21.996 1.00 0.00 C ATOM 182 NZ LYS A 11 -4.046 -13.479 -22.368 1.00 0.00 N ATOM 0 H LYS A 11 -7.193 -7.661 -20.930 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.707 -10.203 -20.619 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.191 -9.746 -22.995 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.541 -8.126 -22.839 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.650 -9.082 -23.649 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.393 -9.535 -21.976 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.981 -11.327 -23.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.229 -11.371 -23.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.284 -11.788 -21.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.033 -11.858 -21.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.064 -14.061 -21.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.858 -13.725 -22.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.164 -13.658 -22.889 1.00 0.00 H new ATOM 196 N GLU A 12 -3.723 -9.067 -19.632 1.00 0.00 N ATOM 197 CA GLU A 12 -2.656 -8.414 -18.883 1.00 0.00 C ATOM 198 C GLU A 12 -1.773 -7.580 -19.807 1.00 0.00 C ATOM 199 O GLU A 12 -1.480 -7.984 -20.932 1.00 0.00 O ATOM 200 CB GLU A 12 -1.806 -9.455 -18.151 1.00 0.00 C ATOM 201 CG GLU A 12 -0.872 -10.230 -19.064 1.00 0.00 C ATOM 202 CD GLU A 12 -1.578 -11.346 -19.810 1.00 0.00 C ATOM 203 OE1 GLU A 12 -2.584 -11.867 -19.283 1.00 0.00 O ATOM 204 OE2 GLU A 12 -1.126 -11.698 -20.919 1.00 0.00 O ATOM 0 H GLU A 12 -3.658 -10.085 -19.659 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.115 -7.750 -18.151 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.217 -8.955 -17.382 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.466 -10.156 -17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.422 -9.545 -19.783 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.059 -10.651 -18.473 1.00 0.00 H new ATOM 211 N GLU A 13 -1.354 -6.415 -19.323 1.00 0.00 N ATOM 212 CA GLU A 13 -0.506 -5.524 -20.106 1.00 0.00 C ATOM 213 C GLU A 13 0.261 -4.566 -19.199 1.00 0.00 C ATOM 214 O GLU A 13 0.124 -4.608 -17.976 1.00 0.00 O ATOM 215 CB GLU A 13 -1.349 -4.731 -21.107 1.00 0.00 C ATOM 216 CG GLU A 13 -2.133 -3.593 -20.476 1.00 0.00 C ATOM 217 CD GLU A 13 -3.024 -2.876 -21.472 1.00 0.00 C ATOM 218 OE1 GLU A 13 -2.578 -2.657 -22.617 1.00 0.00 O ATOM 219 OE2 GLU A 13 -4.167 -2.533 -21.104 1.00 0.00 O ATOM 0 H GLU A 13 -1.588 -6.066 -18.393 1.00 0.00 H new ATOM 0 HA GLU A 13 0.213 -6.135 -20.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.695 -4.326 -21.879 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.044 -5.409 -21.602 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.745 -3.985 -19.663 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.438 -2.878 -20.036 1.00 0.00 H new ATOM 226 N HIS A 14 1.069 -3.703 -19.808 1.00 0.00 N ATOM 227 CA HIS A 14 1.858 -2.734 -19.056 1.00 0.00 C ATOM 228 C HIS A 14 2.769 -3.436 -18.054 1.00 0.00 C ATOM 229 O HIS A 14 2.960 -2.961 -16.934 1.00 0.00 O ATOM 230 CB HIS A 14 0.940 -1.753 -18.327 1.00 0.00 C ATOM 231 CG HIS A 14 0.509 -0.594 -19.173 1.00 0.00 C ATOM 232 ND1 HIS A 14 0.712 0.720 -18.809 1.00 0.00 N ATOM 233 CD2 HIS A 14 -0.115 -0.558 -20.374 1.00 0.00 C ATOM 234 CE1 HIS A 14 0.230 1.515 -19.748 1.00 0.00 C ATOM 235 NE2 HIS A 14 -0.277 0.764 -20.709 1.00 0.00 N ATOM 0 H HIS A 14 1.194 -3.655 -20.819 1.00 0.00 H new ATOM 0 HA HIS A 14 2.479 -2.183 -19.762 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.056 -2.286 -17.978 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.454 -1.376 -17.443 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.427 -1.410 -20.960 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.248 2.595 -19.732 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.717 1.110 -21.562 1.00 0.00 H new ATOM 244 N ALA A 15 3.329 -4.570 -18.464 1.00 0.00 N ATOM 245 CA ALA A 15 4.221 -5.336 -17.602 1.00 0.00 C ATOM 246 C ALA A 15 5.235 -6.124 -18.425 1.00 0.00 C ATOM 247 O ALA A 15 4.880 -7.074 -19.123 1.00 0.00 O ATOM 248 CB ALA A 15 3.419 -6.273 -16.712 1.00 0.00 C ATOM 0 H ALA A 15 3.181 -4.978 -19.387 1.00 0.00 H new ATOM 0 HA ALA A 15 4.769 -4.635 -16.972 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.098 -6.839 -16.074 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.738 -5.691 -16.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.846 -6.962 -17.332 1.00 0.00 H new ATOM 254 N HIS A 16 6.500 -5.724 -18.338 1.00 0.00 N ATOM 255 CA HIS A 16 7.566 -6.393 -19.075 1.00 0.00 C ATOM 256 C HIS A 16 8.935 -6.001 -18.526 1.00 0.00 C ATOM 257 O HIS A 16 9.042 -5.129 -17.665 1.00 0.00 O ATOM 258 CB HIS A 16 7.482 -6.047 -20.562 1.00 0.00 C ATOM 259 CG HIS A 16 8.108 -4.731 -20.908 1.00 0.00 C ATOM 260 ND1 HIS A 16 9.315 -4.622 -21.565 1.00 0.00 N ATOM 261 CD2 HIS A 16 7.686 -3.465 -20.685 1.00 0.00 C ATOM 262 CE1 HIS A 16 9.610 -3.345 -21.730 1.00 0.00 C ATOM 263 NE2 HIS A 16 8.637 -2.621 -21.205 1.00 0.00 N ATOM 0 H HIS A 16 6.812 -4.940 -17.765 1.00 0.00 H new ATOM 0 HA HIS A 16 7.439 -7.469 -18.952 1.00 0.00 H new ATOM 0 HB2 HIS A 16 7.969 -6.834 -21.138 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.435 -6.032 -20.864 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.772 -3.172 -20.190 1.00 0.00 H new ATOM 0 HE1 HIS A 16 10.496 -2.958 -22.212 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.598 -1.602 -21.189 1.00 0.00 H new ATOM 272 N ALA A 17 9.978 -6.652 -19.031 1.00 0.00 N ATOM 273 CA ALA A 17 11.339 -6.371 -18.592 1.00 0.00 C ATOM 274 C ALA A 17 11.409 -6.228 -17.076 1.00 0.00 C ATOM 275 O ALA A 17 11.882 -5.216 -16.558 1.00 0.00 O ATOM 276 CB ALA A 17 11.861 -5.111 -19.267 1.00 0.00 C ATOM 0 H ALA A 17 9.906 -7.377 -19.744 1.00 0.00 H new ATOM 0 HA ALA A 17 11.968 -7.213 -18.880 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.879 -4.913 -18.930 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.857 -5.249 -20.348 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.222 -4.267 -19.007 1.00 0.00 H new ATOM 282 N HIS A 18 10.934 -7.248 -16.368 1.00 0.00 N ATOM 283 CA HIS A 18 10.942 -7.236 -14.909 1.00 0.00 C ATOM 284 C HIS A 18 12.371 -7.245 -14.374 1.00 0.00 C ATOM 285 O HIS A 18 12.592 -7.167 -13.167 1.00 0.00 O ATOM 286 CB HIS A 18 10.173 -8.440 -14.364 1.00 0.00 C ATOM 287 CG HIS A 18 8.697 -8.367 -14.605 1.00 0.00 C ATOM 288 ND1 HIS A 18 7.761 -8.756 -13.670 1.00 0.00 N ATOM 289 CD2 HIS A 18 7.996 -7.945 -15.683 1.00 0.00 C ATOM 290 CE1 HIS A 18 6.549 -8.578 -14.163 1.00 0.00 C ATOM 291 NE2 HIS A 18 6.663 -8.086 -15.383 1.00 0.00 N ATOM 0 H HIS A 18 10.539 -8.093 -16.781 1.00 0.00 H new ATOM 0 HA HIS A 18 10.453 -6.321 -14.575 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.563 -9.348 -14.823 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.354 -8.522 -13.292 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.408 -7.568 -16.607 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.622 -8.798 -13.655 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.888 -7.849 -16.002 1.00 0.00 H new ATOM 300 N ASN A 19 13.337 -7.342 -15.282 1.00 0.00 N ATOM 301 CA ASN A 19 14.745 -7.362 -14.901 1.00 0.00 C ATOM 302 C ASN A 19 14.959 -8.222 -13.659 1.00 0.00 C ATOM 303 O ASN A 19 15.651 -7.820 -12.723 1.00 0.00 O ATOM 304 CB ASN A 19 15.245 -5.940 -14.643 1.00 0.00 C ATOM 305 CG ASN A 19 15.529 -5.184 -15.927 1.00 0.00 C ATOM 306 OD1 ASN A 19 16.618 -4.642 -16.113 1.00 0.00 O ATOM 307 ND2 ASN A 19 14.546 -5.146 -16.819 1.00 0.00 N ATOM 0 H ASN A 19 13.171 -7.408 -16.286 1.00 0.00 H new ATOM 0 HA ASN A 19 15.313 -7.795 -15.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.500 -5.396 -14.062 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.152 -5.981 -14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.677 -4.653 -17.702 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.660 -5.610 -16.621 1.00 0.00 H new ATOM 314 N LYS A 20 14.363 -9.409 -13.658 1.00 0.00 N ATOM 315 CA LYS A 20 14.489 -10.329 -12.533 1.00 0.00 C ATOM 316 C LYS A 20 15.919 -10.845 -12.411 1.00 0.00 C ATOM 317 O LYS A 20 16.255 -11.903 -12.943 1.00 0.00 O ATOM 318 CB LYS A 20 13.523 -11.505 -12.698 1.00 0.00 C ATOM 319 CG LYS A 20 12.102 -11.083 -13.031 1.00 0.00 C ATOM 320 CD LYS A 20 11.274 -10.876 -11.774 1.00 0.00 C ATOM 321 CE LYS A 20 9.784 -10.972 -12.066 1.00 0.00 C ATOM 322 NZ LYS A 20 8.961 -10.601 -10.882 1.00 0.00 N ATOM 0 H LYS A 20 13.787 -9.757 -14.424 1.00 0.00 H new ATOM 0 HA LYS A 20 14.238 -9.786 -11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.893 -12.160 -13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.514 -12.088 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.122 -10.160 -13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.633 -11.843 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.549 -11.623 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.500 -9.900 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.535 -10.317 -12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.539 -11.988 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.952 -10.679 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.180 -11.242 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.175 -9.622 -10.603 1.00 0.00 H new ATOM 336 N ASP A 21 16.756 -10.093 -11.705 1.00 0.00 N ATOM 337 CA ASP A 21 18.150 -10.476 -11.510 1.00 0.00 C ATOM 338 C ASP A 21 18.567 -10.287 -10.055 1.00 0.00 C ATOM 339 O ASP A 21 19.664 -9.805 -9.771 1.00 0.00 O ATOM 340 CB ASP A 21 19.059 -9.655 -12.425 1.00 0.00 C ATOM 341 CG ASP A 21 20.509 -10.089 -12.341 1.00 0.00 C ATOM 342 OD1 ASP A 21 20.760 -11.310 -12.257 1.00 0.00 O ATOM 343 OD2 ASP A 21 21.394 -9.208 -12.359 1.00 0.00 O ATOM 0 H ASP A 21 16.494 -9.214 -11.258 1.00 0.00 H new ATOM 0 HA ASP A 21 18.250 -11.531 -11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.714 -9.749 -13.455 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.982 -8.601 -12.158 1.00 0.00 H new ATOM 348 N TYR A 22 17.684 -10.667 -9.138 1.00 0.00 N ATOM 349 CA TYR A 22 17.960 -10.536 -7.712 1.00 0.00 C ATOM 350 C TYR A 22 17.479 -11.767 -6.949 1.00 0.00 C ATOM 351 O TYR A 22 16.650 -12.532 -7.441 1.00 0.00 O ATOM 352 CB TYR A 22 17.286 -9.281 -7.154 1.00 0.00 C ATOM 353 CG TYR A 22 16.054 -8.862 -7.924 1.00 0.00 C ATOM 354 CD1 TYR A 22 15.163 -9.809 -8.415 1.00 0.00 C ATOM 355 CD2 TYR A 22 15.781 -7.521 -8.162 1.00 0.00 C ATOM 356 CE1 TYR A 22 14.036 -9.431 -9.120 1.00 0.00 C ATOM 357 CE2 TYR A 22 14.656 -7.134 -8.865 1.00 0.00 C ATOM 358 CZ TYR A 22 13.787 -8.093 -9.342 1.00 0.00 C ATOM 359 OH TYR A 22 12.666 -7.712 -10.043 1.00 0.00 O ATOM 0 H TYR A 22 16.772 -11.068 -9.356 1.00 0.00 H new ATOM 0 HA TYR A 22 19.039 -10.449 -7.583 1.00 0.00 H new ATOM 0 HB2 TYR A 22 17.011 -9.458 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.004 -8.461 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 22 15.355 -10.858 -8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.460 -6.767 -7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 22 13.354 -10.180 -9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.458 -6.087 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 22 12.893 -7.604 -10.990 1.00 0.00 H new ATOM 369 N ASP A 23 18.006 -11.950 -5.743 1.00 0.00 N ATOM 370 CA ASP A 23 17.631 -13.086 -4.910 1.00 0.00 C ATOM 371 C ASP A 23 16.554 -12.690 -3.905 1.00 0.00 C ATOM 372 O ASP A 23 16.836 -12.493 -2.723 1.00 0.00 O ATOM 373 CB ASP A 23 18.856 -13.633 -4.174 1.00 0.00 C ATOM 374 CG ASP A 23 19.690 -14.553 -5.044 1.00 0.00 C ATOM 375 OD1 ASP A 23 19.105 -15.266 -5.885 1.00 0.00 O ATOM 376 OD2 ASP A 23 20.929 -14.560 -4.883 1.00 0.00 O ATOM 0 H ASP A 23 18.694 -11.326 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 23 17.229 -13.864 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.473 -12.802 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.531 -14.174 -3.285 1.00 0.00 H new ATOM 381 N ILE A 24 15.319 -12.575 -4.383 1.00 0.00 N ATOM 382 CA ILE A 24 14.200 -12.203 -3.526 1.00 0.00 C ATOM 383 C ILE A 24 13.839 -13.335 -2.571 1.00 0.00 C ATOM 384 O ILE A 24 13.787 -14.506 -2.948 1.00 0.00 O ATOM 385 CB ILE A 24 12.957 -11.830 -4.355 1.00 0.00 C ATOM 386 CG1 ILE A 24 13.374 -11.256 -5.711 1.00 0.00 C ATOM 387 CG2 ILE A 24 12.094 -10.833 -3.595 1.00 0.00 C ATOM 388 CD1 ILE A 24 13.469 -12.297 -6.804 1.00 0.00 C ATOM 0 H ILE A 24 15.068 -12.734 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 24 14.518 -11.333 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 24 12.370 -12.732 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.656 -10.492 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.340 -10.762 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.219 -10.579 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.773 -11.275 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.671 -9.930 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.769 -11.819 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.208 -13.049 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.498 -12.775 -6.937 1.00 0.00 H new ATOM 400 N PRO A 25 13.582 -12.980 -1.303 1.00 0.00 N ATOM 401 CA PRO A 25 13.218 -13.952 -0.268 1.00 0.00 C ATOM 402 C PRO A 25 11.829 -14.542 -0.488 1.00 0.00 C ATOM 403 O PRO A 25 10.845 -13.812 -0.608 1.00 0.00 O ATOM 404 CB PRO A 25 13.250 -13.125 1.020 1.00 0.00 C ATOM 405 CG PRO A 25 13.000 -11.725 0.578 1.00 0.00 C ATOM 406 CD PRO A 25 13.625 -11.603 -0.784 1.00 0.00 C ATOM 0 HA PRO A 25 13.891 -14.809 -0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.488 -13.460 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.212 -13.215 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.931 -11.514 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.440 -11.011 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.069 -10.916 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.647 -11.227 -0.725 1.00 0.00 H new ATOM 414 N THR A 26 11.756 -15.868 -0.540 1.00 0.00 N ATOM 415 CA THR A 26 10.488 -16.557 -0.746 1.00 0.00 C ATOM 416 C THR A 26 9.742 -16.741 0.570 1.00 0.00 C ATOM 417 O THR A 26 9.155 -17.795 0.821 1.00 0.00 O ATOM 418 CB THR A 26 10.697 -17.934 -1.402 1.00 0.00 C ATOM 419 OG1 THR A 26 9.432 -18.560 -1.642 1.00 0.00 O ATOM 420 CG2 THR A 26 11.553 -18.830 -0.519 1.00 0.00 C ATOM 0 H THR A 26 12.561 -16.487 -0.442 1.00 0.00 H new ATOM 0 HA THR A 26 9.894 -15.932 -1.413 1.00 0.00 H new ATOM 0 HB THR A 26 11.213 -17.785 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.913 -18.577 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.687 -19.797 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.526 -18.364 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.060 -18.971 0.443 1.00 0.00 H new ATOM 428 N THR A 27 9.767 -15.710 1.409 1.00 0.00 N ATOM 429 CA THR A 27 9.094 -15.759 2.701 1.00 0.00 C ATOM 430 C THR A 27 7.646 -16.211 2.549 1.00 0.00 C ATOM 431 O THR A 27 7.080 -16.153 1.457 1.00 0.00 O ATOM 432 CB THR A 27 9.121 -14.387 3.401 1.00 0.00 C ATOM 433 OG1 THR A 27 10.347 -13.710 3.104 1.00 0.00 O ATOM 434 CG2 THR A 27 8.975 -14.546 4.907 1.00 0.00 C ATOM 0 H THR A 27 10.246 -14.831 1.217 1.00 0.00 H new ATOM 0 HA THR A 27 9.635 -16.481 3.313 1.00 0.00 H new ATOM 0 HB THR A 27 8.282 -13.797 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.356 -12.838 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.997 -13.564 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.027 -15.036 5.131 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.796 -15.152 5.290 1.00 0.00 H new ATOM 442 N GLU A 28 7.052 -16.660 3.650 1.00 0.00 N ATOM 443 CA GLU A 28 5.669 -17.121 3.637 1.00 0.00 C ATOM 444 C GLU A 28 4.701 -15.941 3.669 1.00 0.00 C ATOM 445 O GLU A 28 3.741 -15.933 4.439 1.00 0.00 O ATOM 446 CB GLU A 28 5.404 -18.044 4.829 1.00 0.00 C ATOM 447 CG GLU A 28 6.095 -19.393 4.719 1.00 0.00 C ATOM 448 CD GLU A 28 7.563 -19.329 5.092 1.00 0.00 C ATOM 449 OE1 GLU A 28 7.882 -18.739 6.146 1.00 0.00 O ATOM 450 OE2 GLU A 28 8.393 -19.868 4.331 1.00 0.00 O ATOM 0 H GLU A 28 7.507 -16.714 4.562 1.00 0.00 H new ATOM 0 HA GLU A 28 5.507 -17.676 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.735 -17.549 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.330 -18.202 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.590 -20.109 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.999 -19.764 3.699 1.00 0.00 H new ATOM 457 N ASN A 29 4.962 -14.946 2.828 1.00 0.00 N ATOM 458 CA ASN A 29 4.116 -13.761 2.760 1.00 0.00 C ATOM 459 C ASN A 29 4.051 -13.220 1.335 1.00 0.00 C ATOM 460 O ASN A 29 5.076 -13.070 0.668 1.00 0.00 O ATOM 461 CB ASN A 29 4.642 -12.678 3.705 1.00 0.00 C ATOM 462 CG ASN A 29 4.315 -12.969 5.156 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.479 -12.299 5.763 1.00 0.00 O ATOM 464 ND2 ASN A 29 4.976 -13.974 5.721 1.00 0.00 N ATOM 0 H ASN A 29 5.753 -14.937 2.184 1.00 0.00 H new ATOM 0 HA ASN A 29 3.110 -14.045 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.722 -12.592 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.214 -11.716 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.799 -14.217 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.660 -14.502 5.180 1.00 0.00 H new ATOM 471 N LEU A 30 2.840 -12.928 0.874 1.00 0.00 N ATOM 472 CA LEU A 30 2.640 -12.402 -0.473 1.00 0.00 C ATOM 473 C LEU A 30 2.446 -10.890 -0.444 1.00 0.00 C ATOM 474 O LEU A 30 1.628 -10.373 0.317 1.00 0.00 O ATOM 475 CB LEU A 30 1.429 -13.070 -1.127 1.00 0.00 C ATOM 476 CG LEU A 30 1.718 -14.332 -1.942 1.00 0.00 C ATOM 477 CD1 LEU A 30 2.554 -13.996 -3.167 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.421 -15.372 -1.083 1.00 0.00 C ATOM 0 H LEU A 30 1.982 -13.046 1.412 1.00 0.00 H new ATOM 0 HA LEU A 30 3.532 -12.624 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.712 -13.322 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.946 -12.343 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 30 0.769 -14.750 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.750 -14.906 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.013 -13.287 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.499 -13.554 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.619 -16.263 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.363 -14.964 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.786 -15.635 -0.237 1.00 0.00 H new ATOM 490 N TYR A 31 3.203 -10.186 -1.278 1.00 0.00 N ATOM 491 CA TYR A 31 3.115 -8.732 -1.348 1.00 0.00 C ATOM 492 C TYR A 31 2.480 -8.287 -2.662 1.00 0.00 C ATOM 493 O TYR A 31 2.801 -8.811 -3.729 1.00 0.00 O ATOM 494 CB TYR A 31 4.505 -8.109 -1.203 1.00 0.00 C ATOM 495 CG TYR A 31 5.397 -8.839 -0.225 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.923 -9.224 1.023 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.713 -9.143 -0.548 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.735 -9.890 1.921 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.532 -9.810 0.342 1.00 0.00 C ATOM 500 CZ TYR A 31 7.038 -10.182 1.575 1.00 0.00 C ATOM 501 OH TYR A 31 7.851 -10.846 2.466 1.00 0.00 O ATOM 0 H TYR A 31 3.884 -10.598 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 31 2.484 -8.391 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.989 -8.091 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.398 -7.073 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.903 -8.999 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.103 -8.853 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.352 -10.180 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.553 -10.039 0.074 1.00 0.00 H new ATOM 0 HH TYR A 31 8.737 -10.975 2.067 1.00 0.00 H new ATOM 511 N PHE A 32 1.577 -7.316 -2.576 1.00 0.00 N ATOM 512 CA PHE A 32 0.896 -6.799 -3.757 1.00 0.00 C ATOM 513 C PHE A 32 0.897 -5.273 -3.762 1.00 0.00 C ATOM 514 O PHE A 32 1.091 -4.640 -2.724 1.00 0.00 O ATOM 515 CB PHE A 32 -0.542 -7.320 -3.811 1.00 0.00 C ATOM 516 CG PHE A 32 -0.643 -8.815 -3.706 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.253 -9.624 -4.760 1.00 0.00 C ATOM 518 CD2 PHE A 32 -1.126 -9.410 -2.552 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.346 -11.000 -4.666 1.00 0.00 C ATOM 520 CE2 PHE A 32 -1.220 -10.785 -2.451 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.829 -11.581 -3.510 1.00 0.00 C ATOM 0 H PHE A 32 1.300 -6.871 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 32 1.435 -7.147 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.114 -6.868 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.002 -6.998 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.128 -9.175 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.433 -8.792 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.041 -11.620 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.598 -11.236 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.901 -12.656 -3.434 1.00 0.00 H new ATOM 531 N GLN A 33 0.679 -4.691 -4.936 1.00 0.00 N ATOM 532 CA GLN A 33 0.656 -3.240 -5.076 1.00 0.00 C ATOM 533 C GLN A 33 -0.423 -2.805 -6.063 1.00 0.00 C ATOM 534 O GLN A 33 -0.713 -3.508 -7.030 1.00 0.00 O ATOM 535 CB GLN A 33 2.022 -2.729 -5.538 1.00 0.00 C ATOM 536 CG GLN A 33 3.152 -3.058 -4.575 1.00 0.00 C ATOM 537 CD GLN A 33 4.407 -2.255 -4.853 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.504 -1.563 -5.867 1.00 0.00 O ATOM 539 NE2 GLN A 33 5.378 -2.344 -3.952 1.00 0.00 N ATOM 0 H GLN A 33 0.516 -5.201 -5.804 1.00 0.00 H new ATOM 0 HA GLN A 33 0.426 -2.810 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.250 -3.158 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.971 -1.648 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.822 -2.867 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.383 -4.121 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.255 -2.930 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.247 -1.827 -4.086 1.00 0.00 H new ATOM 548 N GLY A 34 -1.014 -1.641 -5.811 1.00 0.00 N ATOM 549 CA GLY A 34 -2.054 -1.132 -6.686 1.00 0.00 C ATOM 550 C GLY A 34 -3.141 -0.397 -5.928 1.00 0.00 C ATOM 551 O GLY A 34 -4.263 -0.888 -5.804 1.00 0.00 O ATOM 0 H GLY A 34 -0.791 -1.041 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.610 -0.460 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.497 -1.960 -7.239 1.00 0.00 H new ATOM 555 N SER A 35 -2.808 0.785 -5.418 1.00 0.00 N ATOM 556 CA SER A 35 -3.763 1.588 -4.662 1.00 0.00 C ATOM 557 C SER A 35 -4.856 2.134 -5.576 1.00 0.00 C ATOM 558 O SER A 35 -4.573 2.811 -6.564 1.00 0.00 O ATOM 559 CB SER A 35 -3.047 2.742 -3.958 1.00 0.00 C ATOM 560 OG SER A 35 -3.874 3.325 -2.966 1.00 0.00 O ATOM 0 H SER A 35 -1.885 1.208 -5.514 1.00 0.00 H new ATOM 0 HA SER A 35 -4.227 0.947 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.127 2.379 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.763 3.498 -4.690 1.00 0.00 H new ATOM 0 HG SER A 35 -3.393 4.059 -2.529 1.00 0.00 H new ATOM 566 N SER A 36 -6.106 1.835 -5.238 1.00 0.00 N ATOM 567 CA SER A 36 -7.242 2.292 -6.029 1.00 0.00 C ATOM 568 C SER A 36 -7.716 3.663 -5.556 1.00 0.00 C ATOM 569 O SER A 36 -8.899 3.990 -5.649 1.00 0.00 O ATOM 570 CB SER A 36 -8.391 1.285 -5.940 1.00 0.00 C ATOM 571 OG SER A 36 -9.244 1.385 -7.067 1.00 0.00 O ATOM 0 H SER A 36 -6.358 1.278 -4.421 1.00 0.00 H new ATOM 0 HA SER A 36 -6.920 2.375 -7.067 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.989 0.274 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.964 1.461 -5.029 1.00 0.00 H new ATOM 0 HG SER A 36 -9.572 2.305 -7.149 1.00 0.00 H new ATOM 577 N GLY A 37 -6.783 4.463 -5.050 1.00 0.00 N ATOM 578 CA GLY A 37 -7.123 5.790 -4.570 1.00 0.00 C ATOM 579 C GLY A 37 -6.443 6.124 -3.257 1.00 0.00 C ATOM 580 O GLY A 37 -5.303 6.588 -3.241 1.00 0.00 O ATOM 0 H GLY A 37 -5.797 4.216 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.839 6.528 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.203 5.862 -4.445 1.00 0.00 H new ATOM 584 N SER A 38 -7.144 5.888 -2.153 1.00 0.00 N ATOM 585 CA SER A 38 -6.604 6.172 -0.829 1.00 0.00 C ATOM 586 C SER A 38 -6.395 4.884 -0.039 1.00 0.00 C ATOM 587 O SER A 38 -6.945 3.837 -0.382 1.00 0.00 O ATOM 588 CB SER A 38 -7.540 7.108 -0.062 1.00 0.00 C ATOM 589 OG SER A 38 -6.941 7.555 1.142 1.00 0.00 O ATOM 0 H SER A 38 -8.088 5.501 -2.149 1.00 0.00 H new ATOM 0 HA SER A 38 -5.638 6.661 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.793 7.965 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.473 6.591 0.163 1.00 0.00 H new ATOM 0 HG SER A 38 -7.559 8.153 1.612 1.00 0.00 H new ATOM 595 N SER A 39 -5.598 4.969 1.021 1.00 0.00 N ATOM 596 CA SER A 39 -5.313 3.810 1.858 1.00 0.00 C ATOM 597 C SER A 39 -6.594 3.256 2.474 1.00 0.00 C ATOM 598 O SER A 39 -6.809 2.045 2.503 1.00 0.00 O ATOM 599 CB SER A 39 -4.323 4.184 2.964 1.00 0.00 C ATOM 600 OG SER A 39 -3.101 4.650 2.418 1.00 0.00 O ATOM 0 H SER A 39 -5.138 5.829 1.321 1.00 0.00 H new ATOM 0 HA SER A 39 -4.870 3.039 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.758 4.955 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.135 3.317 3.597 1.00 0.00 H new ATOM 0 HG SER A 39 -2.486 4.884 3.144 1.00 0.00 H new ATOM 606 N GLY A 40 -7.444 4.153 2.964 1.00 0.00 N ATOM 607 CA GLY A 40 -8.694 3.737 3.573 1.00 0.00 C ATOM 608 C GLY A 40 -9.624 3.062 2.583 1.00 0.00 C ATOM 609 O GLY A 40 -10.011 1.909 2.772 1.00 0.00 O ATOM 0 H GLY A 40 -7.289 5.161 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.484 3.052 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.193 4.606 4.001 1.00 0.00 H new ATOM 613 N ASP A 41 -9.984 3.782 1.527 1.00 0.00 N ATOM 614 CA ASP A 41 -10.875 3.247 0.504 1.00 0.00 C ATOM 615 C ASP A 41 -10.595 1.767 0.260 1.00 0.00 C ATOM 616 O ASP A 41 -11.518 0.964 0.128 1.00 0.00 O ATOM 617 CB ASP A 41 -10.719 4.030 -0.800 1.00 0.00 C ATOM 618 CG ASP A 41 -11.400 5.384 -0.747 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.069 6.180 0.158 1.00 0.00 O ATOM 620 OD2 ASP A 41 -12.262 5.648 -1.611 1.00 0.00 O ATOM 0 H ASP A 41 -9.673 4.738 1.357 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.900 3.351 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.659 4.168 -1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.136 3.448 -1.622 1.00 0.00 H new ATOM 625 N MET A 42 -9.315 1.415 0.201 1.00 0.00 N ATOM 626 CA MET A 42 -8.913 0.032 -0.028 1.00 0.00 C ATOM 627 C MET A 42 -9.715 -0.920 0.855 1.00 0.00 C ATOM 628 O MET A 42 -10.416 -1.800 0.357 1.00 0.00 O ATOM 629 CB MET A 42 -7.418 -0.139 0.245 1.00 0.00 C ATOM 630 CG MET A 42 -6.531 0.493 -0.816 1.00 0.00 C ATOM 631 SD MET A 42 -6.872 -0.135 -2.471 1.00 0.00 S ATOM 632 CE MET A 42 -5.726 -1.509 -2.556 1.00 0.00 C ATOM 0 H MET A 42 -8.539 2.068 0.309 1.00 0.00 H new ATOM 0 HA MET A 42 -9.114 -0.211 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.181 0.300 1.214 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.188 -1.202 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.672 1.574 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.486 0.306 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.978 -1.312 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.232 -1.631 -1.592 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.269 -2.421 -2.804 1.00 0.00 H new ATOM 642 N MET A 43 -9.606 -0.737 2.166 1.00 0.00 N ATOM 643 CA MET A 43 -10.322 -1.579 3.117 1.00 0.00 C ATOM 644 C MET A 43 -11.698 -1.959 2.579 1.00 0.00 C ATOM 645 O MET A 43 -12.117 -3.112 2.680 1.00 0.00 O ATOM 646 CB MET A 43 -10.468 -0.860 4.460 1.00 0.00 C ATOM 647 CG MET A 43 -9.140 -0.555 5.133 1.00 0.00 C ATOM 648 SD MET A 43 -9.320 -0.183 6.888 1.00 0.00 S ATOM 649 CE MET A 43 -9.342 -1.833 7.584 1.00 0.00 C ATOM 0 H MET A 43 -9.029 -0.013 2.594 1.00 0.00 H new ATOM 0 HA MET A 43 -9.743 -2.491 3.262 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.011 0.073 4.306 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.072 -1.474 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.472 -1.408 5.013 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.669 0.291 4.633 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.305 -1.770 8.672 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.256 -2.344 7.281 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.478 -2.391 7.224 1.00 0.00 H new ATOM 659 N ARG A 44 -12.395 -0.982 2.007 1.00 0.00 N ATOM 660 CA ARG A 44 -13.723 -1.215 1.454 1.00 0.00 C ATOM 661 C ARG A 44 -13.646 -2.074 0.196 1.00 0.00 C ATOM 662 O ARG A 44 -14.447 -2.989 0.008 1.00 0.00 O ATOM 663 CB ARG A 44 -14.406 0.116 1.134 1.00 0.00 C ATOM 664 CG ARG A 44 -15.085 0.756 2.334 1.00 0.00 C ATOM 665 CD ARG A 44 -14.084 1.484 3.218 1.00 0.00 C ATOM 666 NE ARG A 44 -14.736 2.434 4.116 1.00 0.00 N ATOM 667 CZ ARG A 44 -14.167 2.916 5.215 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.941 2.540 5.550 1.00 0.00 N ATOM 669 NH2 ARG A 44 -14.824 3.777 5.981 1.00 0.00 N ATOM 0 H ARG A 44 -12.062 -0.022 1.915 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.311 -1.748 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.665 0.808 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.147 -0.045 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.847 1.457 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.596 -0.011 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.523 0.757 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.364 2.012 2.592 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.680 2.744 3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.432 1.879 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.506 2.912 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.767 4.070 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.386 4.146 6.825 1.00 0.00 H new ATOM 683 N GLU A 45 -12.676 -1.772 -0.662 1.00 0.00 N ATOM 684 CA GLU A 45 -12.496 -2.517 -1.903 1.00 0.00 C ATOM 685 C GLU A 45 -12.144 -3.974 -1.617 1.00 0.00 C ATOM 686 O GLU A 45 -12.823 -4.890 -2.081 1.00 0.00 O ATOM 687 CB GLU A 45 -11.400 -1.873 -2.755 1.00 0.00 C ATOM 688 CG GLU A 45 -11.433 -2.300 -4.213 1.00 0.00 C ATOM 689 CD GLU A 45 -12.681 -1.825 -4.932 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.242 -0.786 -4.525 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.096 -2.492 -5.903 1.00 0.00 O ATOM 0 H GLU A 45 -12.004 -1.018 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.437 -2.490 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.499 -0.789 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.427 -2.126 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.553 -1.908 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.376 -3.387 -4.271 1.00 0.00 H new ATOM 698 N ILE A 46 -11.077 -4.179 -0.852 1.00 0.00 N ATOM 699 CA ILE A 46 -10.635 -5.523 -0.504 1.00 0.00 C ATOM 700 C ILE A 46 -11.818 -6.416 -0.145 1.00 0.00 C ATOM 701 O ILE A 46 -11.946 -7.528 -0.656 1.00 0.00 O ATOM 702 CB ILE A 46 -9.646 -5.502 0.677 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.383 -4.724 0.299 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.294 -6.921 1.098 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.723 -4.038 1.474 1.00 0.00 C ATOM 0 H ILE A 46 -10.503 -3.432 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.132 -5.927 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.120 -5.000 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.669 -5.407 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.638 -3.976 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.594 -6.890 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.200 -7.445 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.835 -7.446 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.835 -3.506 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.421 -3.330 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.437 -4.783 2.217 1.00 0.00 H new ATOM 717 N ARG A 47 -12.681 -5.920 0.735 1.00 0.00 N ATOM 718 CA ARG A 47 -13.855 -6.672 1.162 1.00 0.00 C ATOM 719 C ARG A 47 -14.628 -7.201 -0.042 1.00 0.00 C ATOM 720 O ARG A 47 -15.060 -8.354 -0.059 1.00 0.00 O ATOM 721 CB ARG A 47 -14.765 -5.793 2.021 1.00 0.00 C ATOM 722 CG ARG A 47 -14.162 -5.422 3.366 1.00 0.00 C ATOM 723 CD ARG A 47 -15.047 -4.444 4.123 1.00 0.00 C ATOM 724 NE ARG A 47 -14.313 -3.740 5.171 1.00 0.00 N ATOM 725 CZ ARG A 47 -14.895 -3.179 6.225 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.211 -3.240 6.371 1.00 0.00 N ATOM 727 NH2 ARG A 47 -14.159 -2.555 7.136 1.00 0.00 N ATOM 0 H ARG A 47 -12.589 -5.000 1.167 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.516 -7.521 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.997 -4.880 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.708 -6.314 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.020 -6.323 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.177 -4.981 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.466 -3.719 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.885 -4.982 4.566 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.298 -3.676 5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.780 -3.719 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.655 -2.808 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.146 -2.506 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.606 -2.124 7.945 1.00 0.00 H new ATOM 741 N LYS A 48 -14.800 -6.351 -1.048 1.00 0.00 N ATOM 742 CA LYS A 48 -15.521 -6.731 -2.257 1.00 0.00 C ATOM 743 C LYS A 48 -14.933 -8.001 -2.865 1.00 0.00 C ATOM 744 O LYS A 48 -15.665 -8.897 -3.284 1.00 0.00 O ATOM 745 CB LYS A 48 -15.476 -5.595 -3.281 1.00 0.00 C ATOM 746 CG LYS A 48 -16.146 -5.938 -4.601 1.00 0.00 C ATOM 747 CD LYS A 48 -15.165 -6.562 -5.579 1.00 0.00 C ATOM 748 CE LYS A 48 -15.848 -7.579 -6.481 1.00 0.00 C ATOM 749 NZ LYS A 48 -16.385 -6.949 -7.719 1.00 0.00 N ATOM 0 H LYS A 48 -14.450 -5.393 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.558 -6.926 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.959 -4.715 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.436 -5.328 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.971 -6.627 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.573 -5.036 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.711 -5.781 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.359 -7.046 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.138 -8.361 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.660 -8.060 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.843 -7.674 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.082 -6.220 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.606 -6.512 -8.252 1.00 0.00 H new ATOM 763 N VAL A 49 -13.606 -8.071 -2.908 1.00 0.00 N ATOM 764 CA VAL A 49 -12.920 -9.232 -3.462 1.00 0.00 C ATOM 765 C VAL A 49 -13.224 -10.488 -2.653 1.00 0.00 C ATOM 766 O VAL A 49 -13.460 -11.559 -3.214 1.00 0.00 O ATOM 767 CB VAL A 49 -11.395 -9.017 -3.501 1.00 0.00 C ATOM 768 CG1 VAL A 49 -10.744 -9.981 -4.481 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.070 -7.575 -3.862 1.00 0.00 C ATOM 0 H VAL A 49 -12.985 -7.338 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.288 -9.361 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.991 -9.219 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.667 -9.814 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.948 -11.006 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.150 -9.815 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.989 -7.441 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.486 -7.343 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.503 -6.907 -3.117 1.00 0.00 H new ATOM 779 N LEU A 50 -13.218 -10.350 -1.332 1.00 0.00 N ATOM 780 CA LEU A 50 -13.494 -11.474 -0.444 1.00 0.00 C ATOM 781 C LEU A 50 -14.900 -12.019 -0.676 1.00 0.00 C ATOM 782 O LEU A 50 -15.076 -13.193 -0.997 1.00 0.00 O ATOM 783 CB LEU A 50 -13.336 -11.046 1.017 1.00 0.00 C ATOM 784 CG LEU A 50 -12.071 -10.255 1.351 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.208 -9.578 2.706 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.852 -11.165 1.329 1.00 0.00 C ATOM 0 H LEU A 50 -13.025 -9.471 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.777 -12.264 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.201 -10.443 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.357 -11.940 1.641 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.937 -9.483 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.298 -9.020 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.057 -8.895 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.366 -10.333 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.961 -10.585 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.977 -11.959 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.743 -11.604 0.337 1.00 0.00 H new ATOM 798 N GLY A 51 -15.898 -11.156 -0.514 1.00 0.00 N ATOM 799 CA GLY A 51 -17.275 -11.569 -0.713 1.00 0.00 C ATOM 800 C GLY A 51 -17.495 -12.228 -2.060 1.00 0.00 C ATOM 801 O GLY A 51 -18.290 -13.159 -2.181 1.00 0.00 O ATOM 0 H GLY A 51 -15.778 -10.179 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.561 -12.262 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.928 -10.700 -0.626 1.00 0.00 H new ATOM 805 N ALA A 52 -16.789 -11.742 -3.076 1.00 0.00 N ATOM 806 CA ALA A 52 -16.910 -12.290 -4.421 1.00 0.00 C ATOM 807 C ALA A 52 -16.455 -13.745 -4.465 1.00 0.00 C ATOM 808 O ALA A 52 -17.099 -14.588 -5.087 1.00 0.00 O ATOM 809 CB ALA A 52 -16.106 -11.454 -5.406 1.00 0.00 C ATOM 0 H ALA A 52 -16.128 -10.970 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.962 -12.257 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.206 -11.875 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.480 -10.430 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.056 -11.457 -5.114 1.00 0.00 H new ATOM 815 N ASN A 53 -15.340 -14.032 -3.800 1.00 0.00 N ATOM 816 CA ASN A 53 -14.798 -15.385 -3.764 1.00 0.00 C ATOM 817 C ASN A 53 -15.298 -16.139 -2.535 1.00 0.00 C ATOM 818 O ASN A 53 -14.555 -16.899 -1.916 1.00 0.00 O ATOM 819 CB ASN A 53 -13.269 -15.345 -3.764 1.00 0.00 C ATOM 820 CG ASN A 53 -12.692 -15.288 -5.165 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.792 -14.126 -5.799 1.00 0.00 O flip ATOM 822 ND2 ASN A 53 -12.163 -16.278 -5.671 1.00 0.00 N flip ATOM 0 H ASN A 53 -14.795 -13.345 -3.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.141 -15.910 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.931 -14.476 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.885 -16.227 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.108 -17.151 -5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.779 -16.225 -6.615 1.00 0.00 H new ATOM 829 N ASN A 54 -16.562 -15.921 -2.187 1.00 0.00 N ATOM 830 CA ASN A 54 -17.162 -16.579 -1.032 1.00 0.00 C ATOM 831 C ASN A 54 -16.211 -16.557 0.161 1.00 0.00 C ATOM 832 O ASN A 54 -16.042 -17.563 0.851 1.00 0.00 O ATOM 833 CB ASN A 54 -17.532 -18.023 -1.377 1.00 0.00 C ATOM 834 CG ASN A 54 -18.856 -18.121 -2.111 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.987 -17.657 -3.244 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.846 -18.727 -1.466 1.00 0.00 N ATOM 0 H ASN A 54 -17.191 -15.294 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.067 -16.033 -0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.745 -18.460 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.583 -18.611 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.760 -18.823 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.693 -19.097 -0.528 1.00 0.00 H new ATOM 843 N CYS A 55 -15.594 -15.405 0.397 1.00 0.00 N ATOM 844 CA CYS A 55 -14.660 -15.252 1.507 1.00 0.00 C ATOM 845 C CYS A 55 -15.240 -14.341 2.584 1.00 0.00 C ATOM 846 O CYS A 55 -16.137 -13.541 2.318 1.00 0.00 O ATOM 847 CB CYS A 55 -13.330 -14.687 1.006 1.00 0.00 C ATOM 848 SG CYS A 55 -12.479 -15.747 -0.186 1.00 0.00 S ATOM 0 H CYS A 55 -15.723 -14.564 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.488 -16.236 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.510 -13.715 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.674 -14.520 1.860 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.356 -16.372 -0.914 1.00 0.00 H new ATOM 854 N ASP A 56 -14.724 -14.470 3.801 1.00 0.00 N ATOM 855 CA ASP A 56 -15.191 -13.659 4.920 1.00 0.00 C ATOM 856 C ASP A 56 -14.086 -12.732 5.417 1.00 0.00 C ATOM 857 O ASP A 56 -12.926 -12.868 5.029 1.00 0.00 O ATOM 858 CB ASP A 56 -15.673 -14.556 6.061 1.00 0.00 C ATOM 859 CG ASP A 56 -16.956 -15.288 5.720 1.00 0.00 C ATOM 860 OD1 ASP A 56 -16.873 -16.395 5.148 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.043 -14.754 6.025 1.00 0.00 O ATOM 0 H ASP A 56 -13.982 -15.128 4.038 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.024 -13.048 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.897 -15.282 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.830 -13.951 6.954 1.00 0.00 H new ATOM 866 N TYR A 57 -14.456 -11.788 6.275 1.00 0.00 N ATOM 867 CA TYR A 57 -13.498 -10.835 6.823 1.00 0.00 C ATOM 868 C TYR A 57 -13.973 -10.296 8.168 1.00 0.00 C ATOM 869 O TYR A 57 -15.172 -10.131 8.394 1.00 0.00 O ATOM 870 CB TYR A 57 -13.281 -9.679 5.845 1.00 0.00 C ATOM 871 CG TYR A 57 -14.566 -9.102 5.296 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.255 -9.739 4.272 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.091 -7.919 5.801 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.429 -9.215 3.766 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.265 -7.388 5.303 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.930 -8.039 4.286 1.00 0.00 C ATOM 877 OH TYR A 57 -18.100 -7.514 3.786 1.00 0.00 O ATOM 0 H TYR A 57 -15.413 -11.662 6.606 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.553 -11.356 6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.723 -8.889 6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.665 -10.026 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.866 -10.660 3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.572 -7.405 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.951 -9.723 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.660 -6.468 5.708 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.316 -6.684 4.261 1.00 0.00 H new ATOM 887 N GLU A 58 -13.024 -10.022 9.058 1.00 0.00 N ATOM 888 CA GLU A 58 -13.346 -9.501 10.381 1.00 0.00 C ATOM 889 C GLU A 58 -12.373 -8.397 10.783 1.00 0.00 C ATOM 890 O GLU A 58 -11.224 -8.666 11.132 1.00 0.00 O ATOM 891 CB GLU A 58 -13.314 -10.626 11.418 1.00 0.00 C ATOM 892 CG GLU A 58 -13.656 -10.167 12.825 1.00 0.00 C ATOM 893 CD GLU A 58 -15.141 -10.248 13.121 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.773 -11.244 12.710 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.671 -9.317 13.763 1.00 0.00 O ATOM 0 H GLU A 58 -12.027 -10.152 8.887 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.351 -9.080 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.015 -11.405 11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.321 -11.076 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.112 -10.779 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.318 -9.140 12.960 1.00 0.00 H new ATOM 902 N GLN A 59 -12.842 -7.154 10.729 1.00 0.00 N ATOM 903 CA GLN A 59 -12.012 -6.009 11.086 1.00 0.00 C ATOM 904 C GLN A 59 -11.572 -6.089 12.544 1.00 0.00 C ATOM 905 O GLN A 59 -12.395 -6.015 13.456 1.00 0.00 O ATOM 906 CB GLN A 59 -12.774 -4.705 10.842 1.00 0.00 C ATOM 907 CG GLN A 59 -11.877 -3.540 10.458 1.00 0.00 C ATOM 908 CD GLN A 59 -12.428 -2.204 10.917 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.621 -2.072 11.189 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.559 -1.204 11.005 1.00 0.00 N ATOM 0 H GLN A 59 -13.791 -6.914 10.442 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.123 -6.026 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.507 -4.865 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.329 -4.444 11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.888 -3.689 10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.751 -3.524 9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.579 -1.358 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.872 -0.282 11.308 1.00 0.00 H new ATOM 919 N ARG A 60 -10.269 -6.242 12.755 1.00 0.00 N ATOM 920 CA ARG A 60 -9.719 -6.334 14.103 1.00 0.00 C ATOM 921 C ARG A 60 -9.265 -4.965 14.599 1.00 0.00 C ATOM 922 O ARG A 60 -9.534 -4.587 15.739 1.00 0.00 O ATOM 923 CB ARG A 60 -8.544 -7.314 14.131 1.00 0.00 C ATOM 924 CG ARG A 60 -8.955 -8.763 13.926 1.00 0.00 C ATOM 925 CD ARG A 60 -9.633 -9.330 15.164 1.00 0.00 C ATOM 926 NE ARG A 60 -11.019 -8.884 15.282 1.00 0.00 N ATOM 927 CZ ARG A 60 -11.677 -8.827 16.434 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.079 -9.186 17.562 1.00 0.00 N ATOM 929 NH2 ARG A 60 -12.936 -8.409 16.461 1.00 0.00 N ATOM 0 H ARG A 60 -9.574 -6.305 12.011 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.504 -6.699 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.830 -7.034 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.029 -7.223 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.632 -8.833 13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.076 -9.361 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.605 -10.419 15.126 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.078 -9.027 16.052 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.508 -8.601 14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.111 -9.507 17.546 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.587 -9.141 18.445 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.400 -8.131 15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.440 -8.366 17.347 1.00 0.00 H new ATOM 943 N GLU A 61 -8.574 -4.227 13.735 1.00 0.00 N ATOM 944 CA GLU A 61 -8.082 -2.900 14.087 1.00 0.00 C ATOM 945 C GLU A 61 -8.563 -1.857 13.083 1.00 0.00 C ATOM 946 O GLU A 61 -9.347 -2.161 12.184 1.00 0.00 O ATOM 947 CB GLU A 61 -6.553 -2.899 14.148 1.00 0.00 C ATOM 948 CG GLU A 61 -5.994 -3.518 15.419 1.00 0.00 C ATOM 949 CD GLU A 61 -6.093 -2.588 16.613 1.00 0.00 C ATOM 950 OE1 GLU A 61 -6.998 -1.728 16.620 1.00 0.00 O ATOM 951 OE2 GLU A 61 -5.265 -2.721 17.539 1.00 0.00 O ATOM 0 H GLU A 61 -8.343 -4.525 12.787 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.478 -2.642 15.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.163 -3.442 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.195 -1.873 14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.532 -4.441 15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.950 -3.788 15.259 1.00 0.00 H new ATOM 958 N ARG A 62 -8.087 -0.626 13.243 1.00 0.00 N ATOM 959 CA ARG A 62 -8.469 0.463 12.353 1.00 0.00 C ATOM 960 C ARG A 62 -8.141 0.119 10.902 1.00 0.00 C ATOM 961 O ARG A 62 -8.966 0.304 10.008 1.00 0.00 O ATOM 962 CB ARG A 62 -7.756 1.754 12.756 1.00 0.00 C ATOM 963 CG ARG A 62 -6.241 1.667 12.664 1.00 0.00 C ATOM 964 CD ARG A 62 -5.585 2.993 13.018 1.00 0.00 C ATOM 965 NE ARG A 62 -5.291 3.094 14.445 1.00 0.00 N ATOM 966 CZ ARG A 62 -4.990 4.236 15.054 1.00 0.00 C ATOM 967 NH1 ARG A 62 -4.945 5.367 14.364 1.00 0.00 N ATOM 968 NH2 ARG A 62 -4.735 4.247 16.356 1.00 0.00 N ATOM 0 H ARG A 62 -7.436 -0.358 13.981 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.546 0.609 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.104 2.566 12.118 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.035 2.010 13.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.878 0.889 13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.953 1.375 11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.662 3.104 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.241 3.812 12.724 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.318 2.242 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.142 5.362 13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.714 6.242 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.770 3.379 16.890 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.504 5.124 16.823 1.00 0.00 H new ATOM 982 N PHE A 63 -6.931 -0.382 10.678 1.00 0.00 N ATOM 983 CA PHE A 63 -6.493 -0.749 9.336 1.00 0.00 C ATOM 984 C PHE A 63 -6.082 -2.218 9.282 1.00 0.00 C ATOM 985 O PHE A 63 -4.993 -2.553 8.813 1.00 0.00 O ATOM 986 CB PHE A 63 -5.324 0.135 8.898 1.00 0.00 C ATOM 987 CG PHE A 63 -5.703 1.576 8.703 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.501 1.958 7.637 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.261 2.547 9.586 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.850 3.282 7.455 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.607 3.874 9.409 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.404 4.242 8.343 1.00 0.00 C ATOM 0 H PHE A 63 -6.237 -0.543 11.408 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.329 -0.597 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.532 0.074 9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.914 -0.254 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.854 1.212 6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.639 2.265 10.422 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.471 3.567 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.254 4.622 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.678 5.277 8.204 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.961 -3.090 9.765 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.691 -4.523 9.772 1.00 0.00 C ATOM 1004 C LEU A 64 -7.972 -5.320 9.547 1.00 0.00 C ATOM 1005 O LEU A 64 -9.031 -4.974 10.071 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.047 -4.934 11.098 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.631 -6.401 11.216 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.500 -6.714 10.248 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.217 -6.724 12.644 1.00 0.00 C ATOM 0 H LEU A 64 -7.866 -2.829 10.157 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.001 -4.742 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.166 -4.313 11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.746 -4.709 11.903 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.487 -7.024 10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.217 -7.762 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.831 -6.521 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.641 -6.083 10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.924 -7.772 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.375 -6.093 12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.055 -6.539 13.316 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.867 -6.390 8.766 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.017 -7.238 8.473 1.00 0.00 C ATOM 1023 C LEU A 65 -8.606 -8.705 8.396 1.00 0.00 C ATOM 1024 O LEU A 65 -7.695 -9.067 7.651 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.670 -6.809 7.157 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.655 -5.644 7.245 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.663 -4.852 5.947 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.053 -6.150 7.572 1.00 0.00 C ATOM 0 H LEU A 65 -6.998 -6.691 8.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.738 -7.124 9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.881 -6.540 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.192 -7.669 6.736 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.333 -4.982 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.370 -4.027 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.665 -4.457 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.959 -5.504 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.741 -5.306 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.384 -6.835 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.037 -6.672 8.529 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.286 -9.546 9.168 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.992 -10.974 9.187 1.00 0.00 C ATOM 1042 C PHE A 66 -9.708 -11.691 8.046 1.00 0.00 C ATOM 1043 O PHE A 66 -10.872 -12.075 8.173 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.407 -11.584 10.527 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.958 -13.007 10.703 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.656 -13.295 11.079 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.838 -14.056 10.493 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.240 -14.603 11.240 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.429 -15.366 10.653 1.00 0.00 C ATOM 1050 CZ PHE A 66 -8.128 -15.640 11.028 1.00 0.00 C ATOM 0 H PHE A 66 -10.044 -9.263 9.789 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.917 -11.100 9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.996 -10.979 11.335 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.492 -11.540 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.958 -12.488 11.248 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.856 -13.847 10.201 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.222 -14.814 11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.125 -16.174 10.485 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.806 -16.663 11.155 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.005 -11.867 6.933 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.573 -12.537 5.768 1.00 0.00 C ATOM 1062 C CYS A 67 -9.480 -14.052 5.912 1.00 0.00 C ATOM 1063 O CYS A 67 -8.429 -14.590 6.262 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.854 -12.089 4.495 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.991 -10.318 4.154 1.00 0.00 S ATOM 0 H CYS A 67 -8.041 -11.555 6.812 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.625 -12.261 5.699 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.799 -12.352 4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.258 -12.644 3.648 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.349 -10.036 3.059 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.587 -14.737 5.643 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.631 -16.191 5.744 1.00 0.00 C ATOM 1073 C VAL A 68 -11.435 -16.797 4.599 1.00 0.00 C ATOM 1074 O VAL A 68 -12.540 -16.346 4.296 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.243 -16.642 7.083 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.704 -16.227 7.169 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -11.097 -18.147 7.255 1.00 0.00 C ATOM 0 H VAL A 68 -11.466 -14.308 5.353 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.601 -16.544 5.687 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.703 -16.152 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.120 -16.554 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.779 -15.142 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.261 -16.687 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.535 -18.449 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.611 -18.658 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.040 -18.414 7.241 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.873 -17.822 3.967 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.539 -18.492 2.855 1.00 0.00 C ATOM 1089 C HIS A 69 -12.182 -19.798 3.314 1.00 0.00 C ATOM 1090 O HIS A 69 -11.490 -20.739 3.702 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.543 -18.769 1.729 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.116 -19.582 0.609 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.051 -19.275 -0.320 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.731 -20.881 0.349 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.212 -20.382 -1.116 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.404 -21.337 -0.692 1.00 0.00 N flip ATOM 0 H HIS A 69 -9.959 -18.207 4.205 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.323 -17.833 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.184 -17.820 1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.678 -19.290 2.140 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -12.544 -18.387 -0.412 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.994 -21.438 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -12.890 -20.459 -1.953 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.510 -19.847 3.267 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.223 -21.041 3.681 1.00 0.00 C ATOM 1107 C GLY A 70 -14.978 -21.691 2.539 1.00 0.00 C ATOM 1108 O GLY A 70 -15.616 -21.006 1.738 1.00 0.00 O ATOM 0 H GLY A 70 -14.104 -19.081 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.515 -21.757 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.923 -20.785 4.476 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.906 -23.015 2.462 1.00 0.00 N ATOM 1113 CA ASP A 71 -15.588 -23.758 1.408 1.00 0.00 C ATOM 1114 C ASP A 71 -16.376 -24.927 1.991 1.00 0.00 C ATOM 1115 O ASP A 71 -17.431 -25.296 1.476 1.00 0.00 O ATOM 1116 CB ASP A 71 -14.579 -24.269 0.380 1.00 0.00 C ATOM 1117 CG ASP A 71 -15.246 -24.785 -0.880 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.729 -23.955 -1.679 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -15.286 -26.019 -1.067 1.00 0.00 O ATOM 0 H ASP A 71 -14.382 -23.596 3.117 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.286 -23.082 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.891 -23.465 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.984 -25.066 0.825 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.855 -25.508 3.068 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.522 -26.630 3.701 1.00 0.00 C ATOM 1126 C GLY A 72 -15.685 -27.257 4.799 1.00 0.00 C ATOM 1127 O GLY A 72 -16.190 -27.552 5.883 1.00 0.00 O ATOM 0 H GLY A 72 -14.983 -25.221 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.472 -26.296 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.752 -27.384 2.948 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.402 -27.463 4.519 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.494 -28.061 5.491 1.00 0.00 C ATOM 1133 C HIS A 73 -12.290 -27.156 5.737 1.00 0.00 C ATOM 1134 O HIS A 73 -12.143 -26.115 5.098 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.025 -29.433 5.006 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.000 -30.533 5.289 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -13.782 -31.506 6.242 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -15.205 -30.812 4.738 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -14.810 -32.335 6.264 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -15.688 -31.936 5.361 1.00 0.00 N ATOM 0 H HIS A 73 -13.968 -27.225 3.627 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.034 -28.182 6.430 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.843 -29.387 3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.073 -29.671 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.695 -30.254 3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.915 -33.194 6.911 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.579 -32.389 5.160 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.432 -27.561 6.667 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.241 -26.788 6.996 1.00 0.00 C ATOM 1151 C ALA A 74 -9.143 -27.004 5.961 1.00 0.00 C ATOM 1152 O ALA A 74 -8.298 -26.134 5.749 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.739 -27.157 8.385 1.00 0.00 C ATOM 0 H ALA A 74 -11.539 -28.420 7.206 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.510 -25.732 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.849 -26.572 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.515 -26.945 9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.493 -28.218 8.413 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.161 -28.168 5.319 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.165 -28.497 4.306 1.00 0.00 C ATOM 1161 C GLU A 75 -7.964 -27.331 3.342 1.00 0.00 C ATOM 1162 O GLU A 75 -6.845 -26.856 3.152 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.586 -29.747 3.532 1.00 0.00 C ATOM 1164 CG GLU A 75 -8.845 -30.954 4.418 1.00 0.00 C ATOM 1165 CD GLU A 75 -10.289 -31.047 4.871 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -11.184 -31.070 4.001 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -10.523 -31.096 6.097 1.00 0.00 O ATOM 0 H GLU A 75 -9.854 -28.898 5.482 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.220 -28.694 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.489 -29.525 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.808 -29.997 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.579 -31.861 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.196 -30.904 5.293 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.056 -26.877 2.736 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.000 -25.769 1.790 1.00 0.00 C ATOM 1176 C ASN A 76 -9.087 -24.430 2.516 1.00 0.00 C ATOM 1177 O ASN A 76 -8.747 -23.385 1.959 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.135 -25.883 0.771 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.362 -26.566 1.345 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.004 -25.916 2.308 1.00 0.00 O flip ATOM 1181 ND2 ASN A 76 -11.726 -27.665 0.927 1.00 0.00 N flip ATOM 0 H ASN A 76 -9.990 -27.259 2.883 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.045 -25.818 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.407 -24.887 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.785 -26.441 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.201 -28.128 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.552 -28.113 1.323 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.543 -24.468 3.763 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.675 -23.257 4.567 1.00 0.00 C ATOM 1190 C LEU A 77 -8.317 -22.595 4.780 1.00 0.00 C ATOM 1191 O LEU A 77 -7.314 -23.271 5.009 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.312 -23.586 5.918 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.926 -22.407 6.675 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.396 -22.251 6.318 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.756 -22.591 8.176 1.00 0.00 C ATOM 0 H LEU A 77 -9.828 -25.324 4.240 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.318 -22.561 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.089 -24.334 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.554 -24.044 6.553 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.403 -21.497 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.816 -21.408 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.493 -22.073 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.934 -23.161 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.198 -21.743 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.253 -23.510 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.695 -22.652 8.417 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.293 -21.268 4.705 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.059 -20.514 4.893 1.00 0.00 C ATOM 1209 C VAL A 78 -7.332 -19.173 5.564 1.00 0.00 C ATOM 1210 O VAL A 78 -8.205 -18.420 5.134 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.342 -20.269 3.552 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.166 -19.323 3.741 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -5.885 -21.586 2.944 1.00 0.00 C ATOM 0 H VAL A 78 -9.114 -20.693 4.515 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.415 -21.114 5.536 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.046 -19.802 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.671 -19.161 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.525 -18.370 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.458 -19.759 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.380 -21.394 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.197 -22.083 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.750 -22.226 2.771 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.579 -18.882 6.620 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.740 -17.630 7.350 1.00 0.00 C ATOM 1225 C GLN A 79 -5.536 -16.718 7.141 1.00 0.00 C ATOM 1226 O GLN A 79 -4.401 -17.095 7.434 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.931 -17.907 8.843 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.249 -18.590 9.171 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.180 -19.414 10.441 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.537 -19.021 11.415 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.843 -20.564 10.438 1.00 0.00 N ATOM 0 H GLN A 79 -5.852 -19.495 6.989 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.626 -17.126 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.110 -18.531 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.873 -16.965 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.029 -17.835 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.537 -19.234 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.363 -20.851 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.833 -21.161 11.265 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.791 -15.518 6.632 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.726 -14.552 6.383 1.00 0.00 C ATOM 1242 C TRP A 80 -5.182 -13.139 6.728 1.00 0.00 C ATOM 1243 O TRP A 80 -6.358 -12.805 6.586 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.284 -14.616 4.920 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.238 -13.941 3.981 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.154 -12.664 3.505 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.421 -14.509 3.407 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.213 -12.403 2.669 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.004 -13.519 2.592 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.042 -15.757 3.500 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.179 -13.740 1.877 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.208 -15.975 2.790 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.766 -14.972 1.987 1.00 0.00 C ATOM 0 H TRP A 80 -6.725 -15.191 6.384 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.881 -14.807 7.022 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.302 -14.153 4.824 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.174 -15.660 4.626 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.370 -11.962 3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.383 -11.522 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.619 -16.537 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.611 -12.967 1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.697 -16.936 2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.677 -15.175 1.444 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.244 -12.313 7.181 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.552 -10.936 7.547 1.00 0.00 C ATOM 1266 C GLU A 81 -3.998 -9.961 6.511 1.00 0.00 C ATOM 1267 O GLU A 81 -2.859 -10.094 6.065 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.978 -10.610 8.927 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.824 -11.132 10.076 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.718 -10.268 11.318 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.619 -10.209 11.907 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.734 -9.650 11.700 1.00 0.00 O ATOM 0 H GLU A 81 -3.265 -12.573 7.303 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.636 -10.830 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.976 -11.032 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.877 -9.529 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.866 -11.183 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.514 -12.149 10.318 1.00 0.00 H new ATOM 1279 N MET A 82 -4.814 -8.982 6.132 1.00 0.00 N ATOM 1280 CA MET A 82 -4.406 -7.985 5.150 1.00 0.00 C ATOM 1281 C MET A 82 -4.442 -6.584 5.751 1.00 0.00 C ATOM 1282 O MET A 82 -5.512 -6.003 5.928 1.00 0.00 O ATOM 1283 CB MET A 82 -5.313 -8.049 3.920 1.00 0.00 C ATOM 1284 CG MET A 82 -4.937 -9.152 2.944 1.00 0.00 C ATOM 1285 SD MET A 82 -6.006 -9.190 1.492 1.00 0.00 S ATOM 1286 CE MET A 82 -5.477 -7.704 0.644 1.00 0.00 C ATOM 0 H MET A 82 -5.761 -8.858 6.490 1.00 0.00 H new ATOM 0 HA MET A 82 -3.382 -8.205 4.849 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.343 -8.198 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.278 -7.090 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.904 -9.013 2.626 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.988 -10.115 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.275 -6.962 0.678 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.588 -7.303 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.245 -7.941 -0.394 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.266 -6.047 6.062 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.165 -4.714 6.644 1.00 0.00 C ATOM 1298 C GLU A 83 -2.796 -3.683 5.581 1.00 0.00 C ATOM 1299 O GLU A 83 -1.930 -3.924 4.740 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.125 -4.701 7.766 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.872 -3.319 8.345 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.832 -3.330 9.448 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.360 -3.537 9.138 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.210 -3.131 10.622 1.00 0.00 O ATOM 0 H GLU A 83 -2.371 -6.515 5.921 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.138 -4.451 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.456 -5.365 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.186 -5.103 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.545 -2.650 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.806 -2.916 8.736 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.461 -2.533 5.625 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.204 -1.464 4.668 1.00 0.00 C ATOM 1313 C VAL A 84 -2.187 -0.469 5.214 1.00 0.00 C ATOM 1314 O VAL A 84 -2.540 0.457 5.946 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.499 -0.711 4.306 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.219 0.363 3.266 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.559 -1.683 3.810 1.00 0.00 C ATOM 0 H VAL A 84 -4.182 -2.318 6.314 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.802 -1.934 3.770 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.879 -0.223 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.145 0.884 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.496 1.075 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.815 -0.099 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.467 -1.134 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.192 -2.201 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.779 -2.411 4.591 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.923 -0.666 4.854 1.00 0.00 N ATOM 1328 CA CYS A 85 0.147 0.215 5.309 1.00 0.00 C ATOM 1329 C CYS A 85 -0.137 1.662 4.920 1.00 0.00 C ATOM 1330 O CYS A 85 -1.067 1.942 4.163 1.00 0.00 O ATOM 1331 CB CYS A 85 1.486 -0.231 4.720 1.00 0.00 C ATOM 1332 SG CYS A 85 2.919 0.197 5.737 1.00 0.00 S ATOM 0 H CYS A 85 -0.614 -1.427 4.249 1.00 0.00 H new ATOM 0 HA CYS A 85 0.197 0.154 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.466 -1.311 4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.606 0.220 3.735 1.00 0.00 H new ATOM 0 HG CYS A 85 4.004 -0.223 5.157 1.00 0.00 H new ATOM 1338 N LYS A 86 0.669 2.579 5.445 1.00 0.00 N ATOM 1339 CA LYS A 86 0.505 3.998 5.154 1.00 0.00 C ATOM 1340 C LYS A 86 1.836 4.629 4.757 1.00 0.00 C ATOM 1341 O LYS A 86 2.762 4.709 5.565 1.00 0.00 O ATOM 1342 CB LYS A 86 -0.074 4.725 6.370 1.00 0.00 C ATOM 1343 CG LYS A 86 -0.371 6.193 6.116 1.00 0.00 C ATOM 1344 CD LYS A 86 -0.318 7.003 7.401 1.00 0.00 C ATOM 1345 CE LYS A 86 -1.676 7.056 8.083 1.00 0.00 C ATOM 1346 NZ LYS A 86 -1.639 7.869 9.330 1.00 0.00 N ATOM 0 H LYS A 86 1.442 2.364 6.074 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.187 4.095 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.992 4.225 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.628 4.643 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.350 6.593 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.357 6.293 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.414 6.564 8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.019 8.016 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.411 7.477 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.004 6.044 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.584 7.881 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.956 7.453 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.351 8.842 9.102 1.00 0.00 H new ATOM 1360 N LEU A 87 1.924 5.078 3.510 1.00 0.00 N ATOM 1361 CA LEU A 87 3.142 5.704 3.006 1.00 0.00 C ATOM 1362 C LEU A 87 3.119 7.210 3.247 1.00 0.00 C ATOM 1363 O LEU A 87 2.067 7.814 3.458 1.00 0.00 O ATOM 1364 CB LEU A 87 3.306 5.417 1.513 1.00 0.00 C ATOM 1365 CG LEU A 87 4.034 4.120 1.155 1.00 0.00 C ATOM 1366 CD1 LEU A 87 3.075 2.941 1.193 1.00 0.00 C ATOM 1367 CD2 LEU A 87 4.686 4.236 -0.215 1.00 0.00 C ATOM 0 H LEU A 87 1.167 5.020 2.829 1.00 0.00 H new ATOM 0 HA LEU A 87 3.989 5.281 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.316 5.392 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.845 6.249 1.060 1.00 0.00 H new ATOM 0 HG LEU A 87 4.816 3.949 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.611 2.028 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.655 2.846 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.270 3.103 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.199 3.305 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.921 4.432 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.405 5.055 -0.208 1.00 0.00 H new ATOM 1379 N PRO A 88 4.306 7.833 3.212 1.00 0.00 N ATOM 1380 CA PRO A 88 4.449 9.277 3.421 1.00 0.00 C ATOM 1381 C PRO A 88 3.879 10.089 2.264 1.00 0.00 C ATOM 1382 O PRO A 88 3.136 11.049 2.473 1.00 0.00 O ATOM 1383 CB PRO A 88 5.964 9.473 3.517 1.00 0.00 C ATOM 1384 CG PRO A 88 6.543 8.329 2.759 1.00 0.00 C ATOM 1385 CD PRO A 88 5.601 7.176 2.966 1.00 0.00 C ATOM 0 HA PRO A 88 3.905 9.617 4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.268 10.427 3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.299 9.470 4.554 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.638 8.570 1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.542 8.087 3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.562 6.527 2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.904 6.556 3.810 1.00 0.00 H new ATOM 1393 N ARG A 89 4.230 9.699 1.043 1.00 0.00 N ATOM 1394 CA ARG A 89 3.753 10.392 -0.148 1.00 0.00 C ATOM 1395 C ARG A 89 2.518 9.703 -0.720 1.00 0.00 C ATOM 1396 O ARG A 89 2.254 9.776 -1.921 1.00 0.00 O ATOM 1397 CB ARG A 89 4.856 10.448 -1.207 1.00 0.00 C ATOM 1398 CG ARG A 89 5.865 11.561 -0.977 1.00 0.00 C ATOM 1399 CD ARG A 89 7.034 11.087 -0.127 1.00 0.00 C ATOM 1400 NE ARG A 89 7.604 12.168 0.672 1.00 0.00 N ATOM 1401 CZ ARG A 89 8.855 12.172 1.117 1.00 0.00 C ATOM 1402 NH1 ARG A 89 9.663 11.156 0.843 1.00 0.00 N ATOM 1403 NH2 ARG A 89 9.301 13.192 1.839 1.00 0.00 N ATOM 0 H ARG A 89 4.843 8.907 0.852 1.00 0.00 H new ATOM 0 HA ARG A 89 3.481 11.408 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.380 9.492 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.400 10.580 -2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 89 6.235 11.922 -1.937 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.375 12.402 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.701 10.286 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.806 10.668 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 89 7.008 12.964 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.324 10.369 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.624 11.161 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.683 13.974 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.262 13.194 2.180 1.00 0.00 H new ATOM 1417 N LEU A 90 1.765 9.034 0.147 1.00 0.00 N ATOM 1418 CA LEU A 90 0.558 8.331 -0.272 1.00 0.00 C ATOM 1419 C LEU A 90 0.710 7.783 -1.687 1.00 0.00 C ATOM 1420 O LEU A 90 -0.248 7.756 -2.459 1.00 0.00 O ATOM 1421 CB LEU A 90 -0.651 9.267 -0.202 1.00 0.00 C ATOM 1422 CG LEU A 90 -1.164 9.597 1.200 1.00 0.00 C ATOM 1423 CD1 LEU A 90 -1.474 8.323 1.969 1.00 0.00 C ATOM 1424 CD2 LEU A 90 -0.149 10.444 1.953 1.00 0.00 C ATOM 0 H LEU A 90 1.969 8.964 1.144 1.00 0.00 H new ATOM 0 HA LEU A 90 0.401 7.493 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.392 10.201 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.466 8.818 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.086 10.171 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.838 8.578 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.238 7.754 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.569 7.722 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.531 10.669 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.789 9.896 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.022 11.374 1.411 1.00 0.00 H new ATOM 1436 N SER A 91 1.919 7.344 -2.019 1.00 0.00 N ATOM 1437 CA SER A 91 2.198 6.797 -3.342 1.00 0.00 C ATOM 1438 C SER A 91 1.388 5.526 -3.585 1.00 0.00 C ATOM 1439 O SER A 91 1.021 5.218 -4.720 1.00 0.00 O ATOM 1440 CB SER A 91 3.691 6.500 -3.490 1.00 0.00 C ATOM 1441 OG SER A 91 4.419 7.680 -3.784 1.00 0.00 O ATOM 0 H SER A 91 2.722 7.356 -1.390 1.00 0.00 H new ATOM 0 HA SER A 91 1.908 7.540 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.069 6.055 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.843 5.768 -4.283 1.00 0.00 H new ATOM 0 HG SER A 91 5.371 7.464 -3.872 1.00 0.00 H new ATOM 1447 N LEU A 92 1.115 4.792 -2.513 1.00 0.00 N ATOM 1448 CA LEU A 92 0.349 3.554 -2.608 1.00 0.00 C ATOM 1449 C LEU A 92 0.075 2.976 -1.223 1.00 0.00 C ATOM 1450 O LEU A 92 0.640 3.427 -0.228 1.00 0.00 O ATOM 1451 CB LEU A 92 1.100 2.531 -3.461 1.00 0.00 C ATOM 1452 CG LEU A 92 2.427 2.028 -2.893 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.205 0.793 -2.033 1.00 0.00 C ATOM 1454 CD2 LEU A 92 3.409 1.728 -4.016 1.00 0.00 C ATOM 0 H LEU A 92 1.412 5.032 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.606 3.782 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.448 1.673 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.291 2.973 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 92 2.852 2.812 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.160 0.449 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.538 1.040 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.758 0.004 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.348 1.371 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.991 0.962 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.592 2.636 -4.591 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.794 1.972 -1.169 1.00 0.00 N ATOM 1467 CA ASN A 93 -1.142 1.329 0.094 1.00 0.00 C ATOM 1468 C ASN A 93 -0.474 -0.037 0.211 1.00 0.00 C ATOM 1469 O ASN A 93 -0.798 -0.964 -0.531 1.00 0.00 O ATOM 1470 CB ASN A 93 -2.660 1.179 0.213 1.00 0.00 C ATOM 1471 CG ASN A 93 -3.177 -0.054 -0.503 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.545 -1.044 0.130 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -3.207 0.001 -1.829 1.00 0.00 N ATOM 0 H ASN A 93 -1.270 1.586 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.782 1.961 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.936 1.127 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.143 2.065 -0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.545 -0.798 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.892 0.843 -2.312 1.00 0.00 H new ATOM 1480 N GLY A 94 0.461 -0.155 1.149 1.00 0.00 N ATOM 1481 CA GLY A 94 1.160 -1.411 1.347 1.00 0.00 C ATOM 1482 C GLY A 94 0.224 -2.541 1.731 1.00 0.00 C ATOM 1483 O GLY A 94 -0.376 -2.521 2.805 1.00 0.00 O ATOM 0 H GLY A 94 0.747 0.597 1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.689 -1.677 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.912 -1.286 2.126 1.00 0.00 H new ATOM 1487 N VAL A 95 0.098 -3.528 0.849 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.772 -4.671 1.101 1.00 0.00 C ATOM 1489 C VAL A 95 0.031 -5.964 1.184 1.00 0.00 C ATOM 1490 O VAL A 95 0.558 -6.445 0.181 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.843 -4.813 0.004 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.774 -5.976 0.313 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.626 -3.518 -0.147 1.00 0.00 C ATOM 0 H VAL A 95 0.587 -3.559 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.264 -4.491 2.057 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.343 -5.021 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.524 -6.060 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.197 -6.900 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.268 -5.802 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.379 -3.637 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.116 -3.277 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.946 -2.711 -0.419 1.00 0.00 H new ATOM 1503 N ARG A 96 0.119 -6.523 2.386 1.00 0.00 N ATOM 1504 CA ARG A 96 0.858 -7.762 2.601 1.00 0.00 C ATOM 1505 C ARG A 96 -0.094 -8.922 2.875 1.00 0.00 C ATOM 1506 O ARG A 96 -1.259 -8.716 3.215 1.00 0.00 O ATOM 1507 CB ARG A 96 1.834 -7.602 3.767 1.00 0.00 C ATOM 1508 CG ARG A 96 2.805 -6.445 3.595 1.00 0.00 C ATOM 1509 CD ARG A 96 4.057 -6.875 2.847 1.00 0.00 C ATOM 1510 NE ARG A 96 5.119 -5.876 2.936 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.223 -4.840 2.112 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.335 -4.667 1.142 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.217 -3.973 2.257 1.00 0.00 N ATOM 0 H ARG A 96 -0.312 -6.138 3.226 1.00 0.00 H new ATOM 0 HA ARG A 96 1.420 -7.983 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.267 -7.456 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.400 -8.526 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.316 -5.636 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.081 -6.052 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.415 -7.821 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.811 -7.050 1.800 1.00 0.00 H new ATOM 0 HE ARG A 96 5.819 -5.980 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.569 -5.331 1.027 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.418 -3.870 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.902 -4.102 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.296 -3.177 1.624 1.00 0.00 H new ATOM 1527 N PHE A 97 0.410 -10.143 2.723 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.395 -11.336 2.953 1.00 0.00 C ATOM 1529 C PHE A 97 0.307 -12.289 3.917 1.00 0.00 C ATOM 1530 O PHE A 97 1.345 -12.865 3.593 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.678 -12.049 1.629 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.892 -11.528 0.915 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.967 -10.201 0.525 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.959 -12.366 0.634 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -3.082 -9.718 -0.132 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -4.077 -11.889 -0.024 1.00 0.00 C ATOM 1537 CZ PHE A 97 -4.140 -10.564 -0.406 1.00 0.00 C ATOM 0 H PHE A 97 1.372 -10.331 2.442 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.339 -11.026 3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.189 -11.945 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.808 -13.114 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.143 -9.536 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.917 -13.403 0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.127 -8.681 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.901 -12.553 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.014 -10.189 -0.918 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.268 -12.449 5.104 1.00 0.00 N ATOM 1548 CA LYS A 98 0.300 -13.331 6.117 1.00 0.00 C ATOM 1549 C LYS A 98 -0.560 -14.578 6.296 1.00 0.00 C ATOM 1550 O LYS A 98 -1.786 -14.494 6.357 1.00 0.00 O ATOM 1551 CB LYS A 98 0.430 -12.592 7.451 1.00 0.00 C ATOM 1552 CG LYS A 98 1.590 -13.077 8.304 1.00 0.00 C ATOM 1553 CD LYS A 98 1.238 -14.351 9.052 1.00 0.00 C ATOM 1554 CE LYS A 98 0.506 -14.050 10.352 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.425 -13.516 11.395 1.00 0.00 N ATOM 0 H LYS A 98 -1.128 -11.979 5.388 1.00 0.00 H new ATOM 0 HA LYS A 98 1.290 -13.639 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.554 -11.527 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.497 -12.708 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.459 -13.254 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.868 -12.301 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.615 -14.985 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.148 -14.911 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.288 -13.327 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.029 -14.959 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.948 -13.531 12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.281 -14.105 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.689 -12.539 11.157 1.00 0.00 H new ATOM 1569 N ARG A 99 0.092 -15.733 6.380 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.613 -16.997 6.553 1.00 0.00 C ATOM 1571 C ARG A 99 -0.802 -17.317 8.033 1.00 0.00 C ATOM 1572 O ARG A 99 0.061 -17.932 8.660 1.00 0.00 O ATOM 1573 CB ARG A 99 0.154 -18.131 5.869 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.457 -19.504 6.098 1.00 0.00 C ATOM 1575 CD ARG A 99 0.310 -20.586 5.353 1.00 0.00 C ATOM 1576 NE ARG A 99 1.634 -20.812 5.927 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.860 -21.620 6.957 1.00 0.00 C ATOM 1578 NH1 ARG A 99 0.855 -22.275 7.523 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.093 -21.774 7.422 1.00 0.00 N ATOM 0 H ARG A 99 1.107 -15.819 6.331 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.596 -16.902 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.196 -17.935 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.181 -18.135 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.461 -19.728 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.496 -19.501 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.259 -21.515 5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.413 -20.302 4.306 1.00 0.00 H new ATOM 0 HE ARG A 99 2.428 -20.323 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.094 -22.159 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.031 -22.895 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.868 -21.272 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.266 -22.394 8.213 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.935 -16.896 8.584 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.237 -17.138 9.989 1.00 0.00 C ATOM 1595 C ILE A 100 -2.567 -18.606 10.235 1.00 0.00 C ATOM 1596 O ILE A 100 -2.212 -19.168 11.271 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.415 -16.271 10.469 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -2.993 -14.803 10.559 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.922 -16.765 11.816 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.209 -14.033 9.275 1.00 0.00 C ATOM 0 H ILE A 100 -2.659 -16.385 8.079 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.345 -16.869 10.555 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.226 -16.353 9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.552 -14.321 11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.939 -14.752 10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.755 -16.142 12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.257 -17.798 11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.118 -16.709 12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.888 -13.000 9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.628 -14.491 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.267 -14.052 9.013 1.00 0.00 H new ATOM 1612 N SER A 101 -3.248 -19.223 9.275 1.00 0.00 N ATOM 1613 CA SER A 101 -3.628 -20.627 9.388 1.00 0.00 C ATOM 1614 C SER A 101 -4.033 -21.191 8.029 1.00 0.00 C ATOM 1615 O SER A 101 -4.324 -20.444 7.096 1.00 0.00 O ATOM 1616 CB SER A 101 -4.779 -20.786 10.383 1.00 0.00 C ATOM 1617 OG SER A 101 -4.733 -22.053 11.017 1.00 0.00 O ATOM 0 H SER A 101 -3.548 -18.773 8.410 1.00 0.00 H new ATOM 0 HA SER A 101 -2.764 -21.185 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.726 -19.998 11.134 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.731 -20.669 9.865 1.00 0.00 H new ATOM 0 HG SER A 101 -5.478 -22.130 11.649 1.00 0.00 H new ATOM 1623 N GLY A 102 -4.050 -22.516 7.927 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.420 -23.160 6.680 1.00 0.00 C ATOM 1625 C GLY A 102 -3.232 -23.781 5.973 1.00 0.00 C ATOM 1626 O GLY A 102 -2.296 -24.257 6.616 1.00 0.00 O ATOM 0 H GLY A 102 -3.814 -23.156 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.164 -23.931 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.889 -22.428 6.022 1.00 0.00 H new ATOM 1630 N THR A 103 -3.268 -23.780 4.644 1.00 0.00 N ATOM 1631 CA THR A 103 -2.188 -24.350 3.849 1.00 0.00 C ATOM 1632 C THR A 103 -1.524 -23.288 2.980 1.00 0.00 C ATOM 1633 O THR A 103 -2.139 -22.277 2.641 1.00 0.00 O ATOM 1634 CB THR A 103 -2.697 -25.491 2.947 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.867 -25.069 2.237 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.014 -26.730 3.769 1.00 0.00 C ATOM 0 H THR A 103 -4.035 -23.390 4.095 1.00 0.00 H new ATOM 0 HA THR A 103 -1.456 -24.750 4.551 1.00 0.00 H new ATOM 0 HB THR A 103 -1.911 -25.740 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.183 -25.799 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.371 -27.522 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.114 -27.065 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.784 -26.493 4.503 1.00 0.00 H new ATOM 1644 N SER A 104 -0.266 -23.523 2.624 1.00 0.00 N ATOM 1645 CA SER A 104 0.483 -22.584 1.796 1.00 0.00 C ATOM 1646 C SER A 104 -0.083 -22.537 0.381 1.00 0.00 C ATOM 1647 O SER A 104 -0.472 -21.475 -0.109 1.00 0.00 O ATOM 1648 CB SER A 104 1.961 -22.976 1.754 1.00 0.00 C ATOM 1649 OG SER A 104 2.123 -24.375 1.908 1.00 0.00 O ATOM 0 H SER A 104 0.257 -24.356 2.896 1.00 0.00 H new ATOM 0 HA SER A 104 0.390 -21.592 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.398 -22.658 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.501 -22.455 2.545 1.00 0.00 H new ATOM 0 HG SER A 104 3.076 -24.599 1.876 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.127 -23.693 -0.272 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.646 -23.784 -1.631 1.00 0.00 C ATOM 1657 C ILE A 105 -1.851 -22.869 -1.821 1.00 0.00 C ATOM 1658 O ILE A 105 -1.802 -21.917 -2.600 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.052 -25.228 -1.983 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.192 -26.092 -2.199 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -1.935 -25.242 -3.221 1.00 0.00 C ATOM 1662 CD1 ILE A 105 1.143 -25.534 -3.234 1.00 0.00 C ATOM 0 H ILE A 105 0.191 -24.580 0.118 1.00 0.00 H new ATOM 0 HA ILE A 105 0.157 -23.468 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.620 -25.644 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.720 -26.197 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.118 -27.091 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.214 -26.269 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.835 -24.656 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.390 -24.811 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.002 -26.198 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.631 -25.455 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.483 -24.547 -2.921 1.00 0.00 H new ATOM 1674 N ALA A 106 -2.930 -23.163 -1.104 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.146 -22.364 -1.191 1.00 0.00 C ATOM 1676 C ALA A 106 -3.877 -20.911 -0.812 1.00 0.00 C ATOM 1677 O ALA A 106 -4.323 -19.988 -1.495 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.229 -22.952 -0.299 1.00 0.00 C ATOM 0 H ALA A 106 -2.987 -23.949 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.491 -22.385 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.131 -22.345 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.449 -23.971 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.883 -22.962 0.735 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.145 -20.715 0.280 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.818 -19.374 0.750 1.00 0.00 C ATOM 1686 C PHE A 107 -2.381 -18.483 -0.409 1.00 0.00 C ATOM 1687 O PHE A 107 -2.732 -17.305 -0.468 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.713 -19.437 1.806 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.281 -18.086 2.303 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.979 -17.452 3.318 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.179 -17.452 1.754 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.584 -16.209 3.778 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.221 -16.209 2.210 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.483 -15.587 3.222 1.00 0.00 C ATOM 0 H PHE A 107 -2.767 -21.468 0.856 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.714 -18.944 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.062 -20.031 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.850 -19.954 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.841 -17.934 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.374 -17.933 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.135 -15.725 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.083 -15.725 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.173 -14.616 3.578 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.610 -19.054 -1.328 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.123 -18.314 -2.486 1.00 0.00 C ATOM 1706 C LYS A 108 -2.117 -18.396 -3.641 1.00 0.00 C ATOM 1707 O LYS A 108 -2.510 -17.377 -4.206 1.00 0.00 O ATOM 1708 CB LYS A 108 0.237 -18.858 -2.930 1.00 0.00 C ATOM 1709 CG LYS A 108 1.353 -18.591 -1.935 1.00 0.00 C ATOM 1710 CD LYS A 108 2.439 -19.650 -2.019 1.00 0.00 C ATOM 1711 CE LYS A 108 3.232 -19.534 -3.311 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.485 -20.337 -3.267 1.00 0.00 N ATOM 0 H LYS A 108 -1.309 -20.028 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.013 -17.269 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.154 -19.933 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.502 -18.412 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.785 -17.609 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.944 -18.568 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.112 -19.551 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.988 -20.640 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.616 -19.868 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.477 -18.488 -3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.997 -20.231 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.085 -20.002 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.250 -21.339 -3.118 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.519 -19.615 -3.984 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.468 -19.829 -5.071 1.00 0.00 C ATOM 1728 C ASN A 109 -4.638 -18.856 -4.971 1.00 0.00 C ATOM 1729 O ASN A 109 -5.182 -18.417 -5.985 1.00 0.00 O ATOM 1730 CB ASN A 109 -3.984 -21.269 -5.049 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.068 -22.224 -5.790 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.240 -22.948 -5.045 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.105 -22.309 -7.018 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.203 -20.470 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.950 -19.650 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.088 -21.599 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.978 -21.303 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.758 -21.733 -7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.483 -22.955 -7.503 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.019 -18.522 -3.743 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.124 -17.599 -3.511 1.00 0.00 C ATOM 1742 C ILE A 110 -5.634 -16.155 -3.471 1.00 0.00 C ATOM 1743 O ILE A 110 -6.372 -15.230 -3.810 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.856 -17.917 -2.194 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.070 -17.001 -2.026 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.909 -17.772 -1.013 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.189 -17.297 -2.999 1.00 0.00 C ATOM 0 H ILE A 110 -4.579 -18.876 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.818 -17.722 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.205 -18.949 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.449 -17.097 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.754 -15.965 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.441 -18.000 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.073 -18.462 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.533 -16.750 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.016 -16.610 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.826 -17.173 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.532 -18.322 -2.858 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.385 -15.971 -3.057 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.796 -14.640 -2.977 1.00 0.00 C ATOM 1761 C ALA A 111 -3.657 -14.017 -4.362 1.00 0.00 C ATOM 1762 O ALA A 111 -3.929 -12.831 -4.550 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.441 -14.704 -2.287 1.00 0.00 C ATOM 0 H ALA A 111 -3.762 -16.726 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.462 -14.009 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.012 -13.703 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.564 -15.100 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.775 -15.355 -2.853 1.00 0.00 H new ATOM 1769 N SER A 112 -3.231 -14.824 -5.329 1.00 0.00 N ATOM 1770 CA SER A 112 -3.051 -14.350 -6.696 1.00 0.00 C ATOM 1771 C SER A 112 -4.364 -13.821 -7.265 1.00 0.00 C ATOM 1772 O SER A 112 -4.379 -12.864 -8.039 1.00 0.00 O ATOM 1773 CB SER A 112 -2.516 -15.476 -7.583 1.00 0.00 C ATOM 1774 OG SER A 112 -1.916 -14.959 -8.758 1.00 0.00 O ATOM 0 H SER A 112 -3.004 -15.809 -5.191 1.00 0.00 H new ATOM 0 HA SER A 112 -2.327 -13.535 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.786 -16.065 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.330 -16.149 -7.853 1.00 0.00 H new ATOM 0 HG SER A 112 -1.581 -15.699 -9.307 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.467 -14.452 -6.875 1.00 0.00 N ATOM 1781 CA LYS A 113 -6.787 -14.046 -7.343 1.00 0.00 C ATOM 1782 C LYS A 113 -7.184 -12.698 -6.750 1.00 0.00 C ATOM 1783 O LYS A 113 -7.363 -11.719 -7.475 1.00 0.00 O ATOM 1784 CB LYS A 113 -7.829 -15.104 -6.974 1.00 0.00 C ATOM 1785 CG LYS A 113 -7.500 -16.491 -7.498 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.791 -16.609 -8.985 1.00 0.00 C ATOM 1787 CE LYS A 113 -7.399 -17.977 -9.523 1.00 0.00 C ATOM 1788 NZ LYS A 113 -8.482 -18.980 -9.329 1.00 0.00 N ATOM 0 H LYS A 113 -5.473 -15.247 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.746 -13.948 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.922 -15.147 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.799 -14.798 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.448 -16.711 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.081 -17.234 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.852 -16.437 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.247 -15.835 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.165 -17.896 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.493 -18.319 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.176 -19.899 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.689 -19.076 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.339 -18.667 -9.829 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.319 -12.654 -5.429 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.692 -11.425 -4.740 1.00 0.00 C ATOM 1804 C ILE A 114 -7.033 -10.211 -5.386 1.00 0.00 C ATOM 1805 O ILE A 114 -7.665 -9.169 -5.561 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.303 -11.474 -3.251 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.995 -12.650 -2.559 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.661 -10.164 -2.566 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.499 -12.644 -2.717 1.00 0.00 C ATOM 0 H ILE A 114 -7.176 -13.455 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.775 -11.334 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.225 -11.617 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.599 -13.582 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.749 -12.632 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.380 -10.215 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.126 -9.344 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.734 -9.993 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.922 -13.506 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.906 -11.728 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.754 -12.693 -3.776 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.761 -10.354 -5.741 1.00 0.00 N ATOM 1822 CA ALA A 115 -5.017 -9.270 -6.371 1.00 0.00 C ATOM 1823 C ALA A 115 -5.651 -8.870 -7.699 1.00 0.00 C ATOM 1824 O ALA A 115 -5.917 -7.693 -7.940 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.566 -9.677 -6.579 1.00 0.00 C ATOM 0 H ALA A 115 -5.224 -11.210 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.049 -8.406 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.022 -8.858 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.111 -9.908 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.523 -10.557 -7.220 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.890 -9.856 -8.557 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.492 -9.605 -9.862 1.00 0.00 C ATOM 1833 C ASN A 116 -7.692 -8.672 -9.737 1.00 0.00 C ATOM 1834 O ASN A 116 -7.814 -7.700 -10.481 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.922 -10.923 -10.510 1.00 0.00 C ATOM 1836 CG ASN A 116 -8.394 -11.219 -10.296 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -9.258 -10.415 -10.647 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -8.687 -12.377 -9.717 1.00 0.00 N ATOM 0 H ASN A 116 -5.676 -10.836 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.745 -9.124 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.714 -10.884 -11.579 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.327 -11.738 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.660 -12.630 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.939 -13.014 -9.442 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.574 -8.974 -8.790 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.764 -8.161 -8.568 1.00 0.00 C ATOM 1847 C GLU A 117 -9.387 -6.762 -8.089 1.00 0.00 C ATOM 1848 O GLU A 117 -9.989 -5.770 -8.500 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.683 -8.832 -7.544 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.838 -10.328 -7.753 1.00 0.00 C ATOM 1851 CD GLU A 117 -12.224 -10.827 -7.392 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -13.191 -10.052 -7.540 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.340 -11.994 -6.963 1.00 0.00 O ATOM 0 H GLU A 117 -8.487 -9.775 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.293 -8.071 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.290 -8.652 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.666 -8.364 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.629 -10.569 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.098 -10.854 -7.150 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.386 -6.692 -7.219 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.926 -5.415 -6.683 1.00 0.00 C ATOM 1862 C LEU A 118 -6.983 -4.721 -7.661 1.00 0.00 C ATOM 1863 O LEU A 118 -6.276 -3.781 -7.298 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.223 -5.626 -5.341 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.126 -5.658 -4.108 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.446 -6.398 -2.967 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.499 -4.245 -3.683 1.00 0.00 C ATOM 0 H LEU A 118 -7.877 -7.504 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.797 -4.777 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.671 -6.565 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.489 -4.831 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.041 -6.192 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.104 -6.410 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.231 -7.422 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.515 -5.893 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.142 -4.287 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.594 -3.686 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.028 -3.748 -4.496 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.980 -5.190 -8.904 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.127 -4.614 -9.937 1.00 0.00 C ATOM 1881 C LYS A 119 -4.730 -4.331 -9.394 1.00 0.00 C ATOM 1882 O LYS A 119 -4.138 -3.290 -9.685 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.746 -3.323 -10.478 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.150 -3.507 -11.029 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.143 -4.314 -12.316 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.976 -3.419 -13.534 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.069 -4.189 -14.805 1.00 0.00 N ATOM 0 H LYS A 119 -7.559 -5.968 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.043 -5.337 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.772 -2.580 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.105 -2.924 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.770 -4.010 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.600 -2.532 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.333 -5.043 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.074 -4.875 -12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.742 -2.643 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.011 -2.915 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.950 -3.543 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.322 -4.913 -14.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.000 -4.650 -14.865 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.207 -5.263 -8.605 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.878 -5.114 -8.022 1.00 0.00 C ATOM 1903 C LEU A 120 -1.805 -5.641 -8.969 1.00 0.00 C ATOM 1904 O LEU A 120 -2.110 -6.122 -10.061 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.801 -5.853 -6.684 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.695 -5.313 -5.567 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.765 -6.304 -4.415 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.186 -3.964 -5.082 1.00 0.00 C ATOM 0 H LEU A 120 -4.683 -6.130 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.699 -4.052 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.057 -6.899 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.768 -5.830 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.701 -5.177 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.405 -5.904 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.176 -7.248 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.764 -6.471 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.834 -3.595 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.171 -4.074 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.188 -3.255 -5.910 1.00 0.00 H new ATOM 1920 N SER A 121 -0.550 -5.550 -8.543 1.00 0.00 N ATOM 1921 CA SER A 121 0.569 -6.016 -9.355 1.00 0.00 C ATOM 1922 C SER A 121 0.288 -7.405 -9.920 1.00 0.00 C ATOM 1923 O SER A 121 0.375 -7.626 -11.127 1.00 0.00 O ATOM 1924 CB SER A 121 1.853 -6.041 -8.524 1.00 0.00 C ATOM 1925 OG SER A 121 2.994 -5.857 -9.344 1.00 0.00 O ATOM 0 H SER A 121 -0.282 -5.158 -7.640 1.00 0.00 H new ATOM 0 HA SER A 121 0.696 -5.323 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.815 -5.258 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.930 -6.992 -7.996 1.00 0.00 H new ATOM 0 HG SER A 121 3.802 -5.875 -8.789 1.00 0.00 H new ATOM 1931 N GLY A 122 -0.050 -8.340 -9.036 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.339 -9.696 -9.464 1.00 0.00 C ATOM 1933 C GLY A 122 0.891 -10.413 -9.986 1.00 0.00 C ATOM 1934 O GLY A 122 1.073 -10.579 -11.192 1.00 0.00 O ATOM 0 H GLY A 122 -0.129 -8.182 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.755 -10.257 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.101 -9.673 -10.243 1.00 0.00 H new ATOM 1938 N PRO A 123 1.761 -10.850 -9.064 1.00 0.00 N ATOM 1939 CA PRO A 123 2.996 -11.559 -9.414 1.00 0.00 C ATOM 1940 C PRO A 123 2.726 -12.956 -9.964 1.00 0.00 C ATOM 1941 O PRO A 123 1.633 -13.498 -9.799 1.00 0.00 O ATOM 1942 CB PRO A 123 3.746 -11.644 -8.083 1.00 0.00 C ATOM 1943 CG PRO A 123 2.681 -11.574 -7.043 1.00 0.00 C ATOM 1944 CD PRO A 123 1.608 -10.686 -7.609 1.00 0.00 C ATOM 0 HA PRO A 123 3.552 -11.047 -10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.313 -12.572 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.458 -10.825 -7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.289 -12.566 -6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.072 -11.168 -6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.617 -10.989 -7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.744 -9.648 -7.305 1.00 0.00 H new ATOM 1952 N SER A 124 3.729 -13.533 -10.618 1.00 0.00 N ATOM 1953 CA SER A 124 3.598 -14.866 -11.195 1.00 0.00 C ATOM 1954 C SER A 124 4.919 -15.625 -11.114 1.00 0.00 C ATOM 1955 O SER A 124 5.983 -15.026 -10.954 1.00 0.00 O ATOM 1956 CB SER A 124 3.139 -14.772 -12.651 1.00 0.00 C ATOM 1957 OG SER A 124 1.905 -14.081 -12.753 1.00 0.00 O ATOM 0 H SER A 124 4.641 -13.099 -10.762 1.00 0.00 H new ATOM 0 HA SER A 124 2.850 -15.412 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.897 -14.258 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.034 -15.774 -13.068 1.00 0.00 H new ATOM 0 HG SER A 124 1.634 -14.033 -13.694 1.00 0.00 H new ATOM 1963 N SER A 125 4.843 -16.947 -11.228 1.00 0.00 N ATOM 1964 CA SER A 125 6.032 -17.789 -11.164 1.00 0.00 C ATOM 1965 C SER A 125 6.270 -18.494 -12.496 1.00 0.00 C ATOM 1966 O SER A 125 5.529 -19.402 -12.872 1.00 0.00 O ATOM 1967 CB SER A 125 5.891 -18.823 -10.045 1.00 0.00 C ATOM 1968 OG SER A 125 6.006 -18.213 -8.771 1.00 0.00 O ATOM 0 H SER A 125 3.971 -17.458 -11.365 1.00 0.00 H new ATOM 0 HA SER A 125 6.889 -17.150 -10.952 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.926 -19.323 -10.127 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.658 -19.590 -10.155 1.00 0.00 H new ATOM 0 HG SER A 125 5.911 -18.894 -8.073 1.00 0.00 H new ATOM 1974 N GLY A 126 7.310 -18.069 -13.207 1.00 0.00 N ATOM 1975 CA GLY A 126 7.628 -18.670 -14.489 1.00 0.00 C ATOM 1976 C GLY A 126 7.914 -17.635 -15.559 1.00 0.00 C ATOM 1977 O GLY A 126 7.563 -17.823 -16.724 1.00 0.00 O ATOM 0 H GLY A 126 7.938 -17.319 -12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.495 -19.321 -14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.797 -19.298 -14.809 1.00 0.00 H new TER 1981 GLY A 126