USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 881 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 52 SER OG : rot 4:sc= -2.18 USER MOD Set 1.2: A 64 MET CE :methyl -111:sc= -3.77! (180deg=-4.98!) USER MOD Set 2.1: A 14 MET CE :methyl -163:sc= -2.65! (180deg=-3.36!) USER MOD Set 2.2: A 48 SER OG : rot 176:sc= 0.9 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.22 USER MOD Single : A 13 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.47) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -153:sc= -1.81 (180deg=-3.95!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0729 K(o=-0.073,f=-6.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot -157:sc= -2.71! USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000426 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 166:sc= -7.66! (180deg=-7.7!) USER MOD Single : A 61 ASN : amide:sc= -0.526! C(o=-0.53!,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0332) USER MOD Single : A 71 ASN : amide:sc= -2.14 K(o=-2.1,f=-7.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.128 USER MOD Single : A 81 GLN : amide:sc= -2.53 K(o=-2.5,f=-8.9!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.499 USER MOD Single : A 86 SER OG : rot 100:sc= -2.03! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 88 LYS NZ :NH3+ 154:sc= -0.586 (180deg=-1.41) USER MOD Single : A 89 SER OG : rot -160:sc= -0.0575 USER MOD Single : A 91 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.92) USER MOD Single : A 97 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-4.2!) USER MOD Single : A 100 SER OG : rot 160:sc= 0.847 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.629 14.603 -19.783 1.00 0.00 N ATOM 2 CA GLY A 1 -8.358 14.117 -20.293 1.00 0.00 C ATOM 3 C GLY A 1 -7.814 15.044 -21.382 1.00 0.00 C ATOM 4 O GLY A 1 -8.416 15.178 -22.446 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.977 13.957 -19.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.501 15.553 -19.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.320 14.647 -20.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.638 14.046 -19.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.484 13.112 -20.695 1.00 0.00 H new ATOM 8 N SER A 2 -6.681 15.659 -21.078 1.00 0.00 N ATOM 9 CA SER A 2 -6.049 16.570 -22.018 1.00 0.00 C ATOM 10 C SER A 2 -4.615 16.868 -21.574 1.00 0.00 C ATOM 11 O SER A 2 -3.666 16.606 -22.311 1.00 0.00 O ATOM 12 CB SER A 2 -6.846 17.869 -22.147 1.00 0.00 C ATOM 13 OG SER A 2 -6.934 18.309 -23.500 1.00 0.00 O ATOM 0 H SER A 2 -6.184 15.545 -20.195 1.00 0.00 H new ATOM 0 HA SER A 2 -6.027 16.091 -22.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.849 17.720 -21.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.375 18.645 -21.543 1.00 0.00 H new ATOM 0 HG SER A 2 -7.452 19.140 -23.541 1.00 0.00 H new ATOM 19 N SER A 3 -4.504 17.412 -20.371 1.00 0.00 N ATOM 20 CA SER A 3 -3.202 17.749 -19.820 1.00 0.00 C ATOM 21 C SER A 3 -3.225 17.603 -18.297 1.00 0.00 C ATOM 22 O SER A 3 -4.293 17.501 -17.696 1.00 0.00 O ATOM 23 CB SER A 3 -2.790 19.170 -20.210 1.00 0.00 C ATOM 24 OG SER A 3 -3.814 20.120 -19.929 1.00 0.00 O ATOM 0 H SER A 3 -5.294 17.628 -19.763 1.00 0.00 H new ATOM 0 HA SER A 3 -2.466 17.059 -20.234 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.883 19.445 -19.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.551 19.199 -21.273 1.00 0.00 H new ATOM 0 HG SER A 3 -3.511 21.015 -20.191 1.00 0.00 H new ATOM 30 N GLY A 4 -2.033 17.597 -17.717 1.00 0.00 N ATOM 31 CA GLY A 4 -1.903 17.465 -16.276 1.00 0.00 C ATOM 32 C GLY A 4 -1.271 16.122 -15.904 1.00 0.00 C ATOM 33 O GLY A 4 -0.352 15.656 -16.577 1.00 0.00 O ATOM 0 H GLY A 4 -1.149 17.681 -18.219 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.292 18.279 -15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.884 17.551 -15.809 1.00 0.00 H new ATOM 37 N SER A 5 -1.787 15.538 -14.833 1.00 0.00 N ATOM 38 CA SER A 5 -1.284 14.258 -14.363 1.00 0.00 C ATOM 39 C SER A 5 0.153 14.412 -13.861 1.00 0.00 C ATOM 40 O SER A 5 0.399 14.395 -12.656 1.00 0.00 O ATOM 41 CB SER A 5 -1.350 13.201 -15.468 1.00 0.00 C ATOM 42 OG SER A 5 -0.956 11.914 -14.999 1.00 0.00 O ATOM 0 H SER A 5 -2.548 15.927 -14.277 1.00 0.00 H new ATOM 0 HA SER A 5 -1.915 13.924 -13.540 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.366 13.149 -15.860 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.705 13.499 -16.294 1.00 0.00 H new ATOM 0 HG SER A 5 -1.013 11.267 -15.733 1.00 0.00 H new ATOM 48 N SER A 6 1.065 14.561 -14.811 1.00 0.00 N ATOM 49 CA SER A 6 2.471 14.719 -14.480 1.00 0.00 C ATOM 50 C SER A 6 2.625 15.668 -13.290 1.00 0.00 C ATOM 51 O SER A 6 1.798 16.555 -13.088 1.00 0.00 O ATOM 52 CB SER A 6 3.264 15.239 -15.681 1.00 0.00 C ATOM 53 OG SER A 6 4.663 15.286 -15.417 1.00 0.00 O ATOM 0 H SER A 6 0.858 14.576 -15.810 1.00 0.00 H new ATOM 0 HA SER A 6 2.871 13.742 -14.210 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.079 14.598 -16.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.911 16.236 -15.944 1.00 0.00 H new ATOM 0 HG SER A 6 5.134 15.621 -16.208 1.00 0.00 H new ATOM 59 N GLY A 7 3.691 15.448 -12.534 1.00 0.00 N ATOM 60 CA GLY A 7 3.964 16.273 -11.369 1.00 0.00 C ATOM 61 C GLY A 7 3.055 15.888 -10.199 1.00 0.00 C ATOM 62 O GLY A 7 1.842 15.770 -10.364 1.00 0.00 O ATOM 0 H GLY A 7 4.375 14.711 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.008 16.160 -11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.815 17.323 -11.620 1.00 0.00 H new ATOM 66 N ASP A 8 3.678 15.704 -9.044 1.00 0.00 N ATOM 67 CA ASP A 8 2.940 15.336 -7.848 1.00 0.00 C ATOM 68 C ASP A 8 2.124 14.072 -8.126 1.00 0.00 C ATOM 69 O ASP A 8 2.037 13.624 -9.268 1.00 0.00 O ATOM 70 CB ASP A 8 1.970 16.444 -7.435 1.00 0.00 C ATOM 71 CG ASP A 8 2.576 17.849 -7.386 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.106 18.275 -8.435 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.495 18.464 -6.301 1.00 0.00 O ATOM 0 H ASP A 8 4.684 15.803 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 8 3.660 15.171 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.131 16.450 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.566 16.204 -6.451 1.00 0.00 H new ATOM 78 N LYS A 9 1.545 13.534 -7.062 1.00 0.00 N ATOM 79 CA LYS A 9 0.739 12.331 -7.178 1.00 0.00 C ATOM 80 C LYS A 9 1.648 11.139 -7.485 1.00 0.00 C ATOM 81 O LYS A 9 1.783 10.738 -8.640 1.00 0.00 O ATOM 82 CB LYS A 9 -0.379 12.531 -8.203 1.00 0.00 C ATOM 83 CG LYS A 9 -1.142 13.830 -7.935 1.00 0.00 C ATOM 84 CD LYS A 9 -2.630 13.667 -8.253 1.00 0.00 C ATOM 85 CE LYS A 9 -3.024 14.498 -9.475 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.111 13.831 -10.227 1.00 0.00 N ATOM 0 H LYS A 9 1.618 13.909 -6.116 1.00 0.00 H new ATOM 0 HA LYS A 9 0.239 12.116 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.043 12.554 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.067 11.686 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.019 14.120 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.723 14.634 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.853 12.616 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.225 13.974 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.348 15.490 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.158 14.637 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.366 14.408 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.789 12.895 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.942 13.721 -9.612 1.00 0.00 H new ATOM 100 N PRO A 10 2.264 10.593 -6.402 1.00 0.00 N ATOM 101 CA PRO A 10 3.157 9.455 -6.545 1.00 0.00 C ATOM 102 C PRO A 10 2.369 8.167 -6.790 1.00 0.00 C ATOM 103 O PRO A 10 2.913 7.191 -7.305 1.00 0.00 O ATOM 104 CB PRO A 10 3.962 9.423 -5.255 1.00 0.00 C ATOM 105 CG PRO A 10 3.175 10.251 -4.252 1.00 0.00 C ATOM 106 CD PRO A 10 2.128 11.042 -5.020 1.00 0.00 C ATOM 0 HA PRO A 10 3.816 9.543 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.092 8.400 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.959 9.837 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.700 9.605 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.838 10.923 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.126 10.848 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.300 12.115 -4.933 1.00 0.00 H new ATOM 114 N LEU A 11 1.101 8.206 -6.409 1.00 0.00 N ATOM 115 CA LEU A 11 0.233 7.053 -6.581 1.00 0.00 C ATOM 116 C LEU A 11 -0.822 7.369 -7.644 1.00 0.00 C ATOM 117 O LEU A 11 -1.695 6.548 -7.920 1.00 0.00 O ATOM 118 CB LEU A 11 -0.358 6.622 -5.238 1.00 0.00 C ATOM 119 CG LEU A 11 0.646 6.388 -4.107 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.915 5.714 -4.632 1.00 0.00 C ATOM 121 CD2 LEU A 11 0.953 7.692 -3.368 1.00 0.00 C ATOM 0 H LEU A 11 0.654 9.017 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 11 0.804 6.197 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.068 7.383 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.924 5.703 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 11 0.195 5.707 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.612 5.559 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.659 4.752 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.380 6.350 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.669 7.498 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.375 8.415 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.034 8.094 -2.942 1.00 0.00 H new ATOM 133 N SER A 12 -0.706 8.560 -8.212 1.00 0.00 N ATOM 134 CA SER A 12 -1.638 8.995 -9.238 1.00 0.00 C ATOM 135 C SER A 12 -1.962 7.831 -10.177 1.00 0.00 C ATOM 136 O SER A 12 -1.218 7.564 -11.120 1.00 0.00 O ATOM 137 CB SER A 12 -1.074 10.175 -10.031 1.00 0.00 C ATOM 138 OG SER A 12 -2.019 11.235 -10.155 1.00 0.00 O ATOM 0 H SER A 12 0.020 9.238 -7.981 1.00 0.00 H new ATOM 0 HA SER A 12 -2.554 9.326 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.175 10.546 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.777 9.836 -11.023 1.00 0.00 H new ATOM 0 HG SER A 12 -1.621 11.970 -10.666 1.00 0.00 H new ATOM 144 N ASN A 13 -3.073 7.170 -9.887 1.00 0.00 N ATOM 145 CA ASN A 13 -3.504 6.041 -10.694 1.00 0.00 C ATOM 146 C ASN A 13 -2.870 4.759 -10.150 1.00 0.00 C ATOM 147 O ASN A 13 -2.270 3.991 -10.901 1.00 0.00 O ATOM 148 CB ASN A 13 -3.063 6.204 -12.150 1.00 0.00 C ATOM 149 CG ASN A 13 -4.053 5.529 -13.101 1.00 0.00 C ATOM 150 OD1 ASN A 13 -5.258 5.696 -13.006 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.479 4.760 -14.022 1.00 0.00 N ATOM 0 H ASN A 13 -3.688 7.395 -9.105 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.592 5.991 -10.650 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.984 7.264 -12.393 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.072 5.771 -12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.054 4.266 -14.705 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.464 4.664 -14.046 1.00 0.00 H new ATOM 158 N MET A 14 -3.025 4.567 -8.848 1.00 0.00 N ATOM 159 CA MET A 14 -2.476 3.391 -8.194 1.00 0.00 C ATOM 160 C MET A 14 -3.405 2.897 -7.083 1.00 0.00 C ATOM 161 O MET A 14 -3.736 3.648 -6.167 1.00 0.00 O ATOM 162 CB MET A 14 -1.106 3.729 -7.602 1.00 0.00 C ATOM 163 CG MET A 14 -0.031 3.760 -8.691 1.00 0.00 C ATOM 164 SD MET A 14 1.015 2.321 -8.556 1.00 0.00 S ATOM 165 CE MET A 14 1.473 2.429 -6.834 1.00 0.00 C ATOM 0 H MET A 14 -3.523 5.206 -8.228 1.00 0.00 H new ATOM 0 HA MET A 14 -2.376 2.599 -8.936 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.150 4.697 -7.102 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.841 2.991 -6.845 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.499 3.789 -9.675 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.568 4.666 -8.597 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.346 1.802 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.710 3.463 -6.585 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.644 2.087 -6.215 1.00 0.00 H new ATOM 175 N LYS A 15 -3.799 1.638 -7.201 1.00 0.00 N ATOM 176 CA LYS A 15 -4.683 1.035 -6.218 1.00 0.00 C ATOM 177 C LYS A 15 -3.857 0.550 -5.025 1.00 0.00 C ATOM 178 O LYS A 15 -3.142 -0.446 -5.123 1.00 0.00 O ATOM 179 CB LYS A 15 -5.533 -0.062 -6.863 1.00 0.00 C ATOM 180 CG LYS A 15 -6.905 0.477 -7.272 1.00 0.00 C ATOM 181 CD LYS A 15 -7.439 -0.259 -8.502 1.00 0.00 C ATOM 182 CE LYS A 15 -8.952 -0.464 -8.405 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.268 -1.888 -8.158 1.00 0.00 N ATOM 0 H LYS A 15 -3.522 1.018 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.390 1.773 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.018 -0.458 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.657 -0.889 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.605 0.365 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.832 1.543 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.202 0.310 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.943 -1.225 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.357 0.149 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.429 -0.134 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.299 -2.009 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.899 -2.466 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.829 -2.191 -7.265 1.00 0.00 H new ATOM 197 N ILE A 16 -3.982 1.278 -3.925 1.00 0.00 N ATOM 198 CA ILE A 16 -3.256 0.935 -2.714 1.00 0.00 C ATOM 199 C ILE A 16 -4.155 0.092 -1.807 1.00 0.00 C ATOM 200 O ILE A 16 -5.311 0.441 -1.575 1.00 0.00 O ATOM 201 CB ILE A 16 -2.713 2.197 -2.039 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.637 2.860 -2.902 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.208 1.890 -0.628 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.267 3.698 -4.016 1.00 0.00 C ATOM 0 H ILE A 16 -4.575 2.104 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.383 0.328 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.531 2.911 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.005 3.493 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.993 2.096 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.828 2.804 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.027 1.497 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.409 1.151 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.481 4.158 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.879 3.058 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.891 4.476 -3.577 1.00 0.00 H new ATOM 216 N LEU A 17 -3.589 -1.003 -1.320 1.00 0.00 N ATOM 217 CA LEU A 17 -4.324 -1.899 -0.444 1.00 0.00 C ATOM 218 C LEU A 17 -3.842 -1.707 0.996 1.00 0.00 C ATOM 219 O LEU A 17 -2.746 -1.199 1.225 1.00 0.00 O ATOM 220 CB LEU A 17 -4.217 -3.342 -0.941 1.00 0.00 C ATOM 221 CG LEU A 17 -5.346 -4.283 -0.518 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.071 -4.885 0.861 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.701 -3.573 -0.573 1.00 0.00 C ATOM 0 H LEU A 17 -2.630 -1.290 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.387 -1.659 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.172 -3.328 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.273 -3.758 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.386 -5.109 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.889 -5.550 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.139 -5.449 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.989 -4.085 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.487 -4.264 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.690 -2.716 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.893 -3.233 -1.591 1.00 0.00 H new ATOM 235 N THR A 18 -4.686 -2.123 1.929 1.00 0.00 N ATOM 236 CA THR A 18 -4.360 -2.004 3.340 1.00 0.00 C ATOM 237 C THR A 18 -4.802 -3.257 4.097 1.00 0.00 C ATOM 238 O THR A 18 -5.728 -3.948 3.675 1.00 0.00 O ATOM 239 CB THR A 18 -5.002 -0.718 3.866 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.398 -0.919 3.665 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.672 0.498 2.998 1.00 0.00 C ATOM 0 H THR A 18 -5.595 -2.543 1.735 1.00 0.00 H new ATOM 0 HA THR A 18 -3.283 -1.933 3.493 1.00 0.00 H new ATOM 0 HB THR A 18 -4.667 -0.537 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.890 -0.133 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.152 1.384 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.592 0.647 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.037 0.331 1.984 1.00 0.00 H new ATOM 249 N LEU A 19 -4.119 -3.513 5.203 1.00 0.00 N ATOM 250 CA LEU A 19 -4.429 -4.671 6.024 1.00 0.00 C ATOM 251 C LEU A 19 -4.212 -4.321 7.497 1.00 0.00 C ATOM 252 O LEU A 19 -3.712 -3.243 7.815 1.00 0.00 O ATOM 253 CB LEU A 19 -3.628 -5.889 5.557 1.00 0.00 C ATOM 254 CG LEU A 19 -4.420 -6.967 4.814 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.481 -7.985 4.163 1.00 0.00 C ATOM 256 CD2 LEU A 19 -5.437 -7.637 5.741 1.00 0.00 C ATOM 0 H LEU A 19 -3.351 -2.938 5.550 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.478 -4.946 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.825 -5.543 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.159 -6.346 6.428 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.982 -6.487 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.069 -8.740 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.830 -7.477 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.875 -8.464 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.986 -8.399 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.916 -8.101 6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.134 -6.889 6.118 1.00 0.00 H new ATOM 268 N GLY A 20 -4.598 -5.251 8.357 1.00 0.00 N ATOM 269 CA GLY A 20 -4.452 -5.054 9.789 1.00 0.00 C ATOM 270 C GLY A 20 -4.823 -3.623 10.186 1.00 0.00 C ATOM 271 O GLY A 20 -5.693 -3.010 9.570 1.00 0.00 O ATOM 0 H GLY A 20 -5.012 -6.144 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.088 -5.760 10.324 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.424 -5.263 10.086 1.00 0.00 H new ATOM 275 N LYS A 21 -4.143 -3.133 11.213 1.00 0.00 N ATOM 276 CA LYS A 21 -4.391 -1.787 11.699 1.00 0.00 C ATOM 277 C LYS A 21 -3.126 -0.944 11.519 1.00 0.00 C ATOM 278 O LYS A 21 -2.020 -1.414 11.782 1.00 0.00 O ATOM 279 CB LYS A 21 -4.905 -1.823 13.140 1.00 0.00 C ATOM 280 CG LYS A 21 -5.174 -0.411 13.662 1.00 0.00 C ATOM 281 CD LYS A 21 -6.487 0.140 13.103 1.00 0.00 C ATOM 282 CE LYS A 21 -6.735 1.569 13.592 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.020 1.577 15.045 1.00 0.00 N ATOM 0 H LYS A 21 -3.421 -3.644 11.721 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.179 -1.311 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.820 -2.413 13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.173 -2.317 13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.215 -0.424 14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.351 0.247 13.382 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.457 0.125 12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.314 -0.501 13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.862 2.188 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.573 2.006 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.367 2.516 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.744 0.862 15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.150 1.358 15.571 1.00 0.00 H new ATOM 297 N LEU A 22 -3.332 0.286 11.072 1.00 0.00 N ATOM 298 CA LEU A 22 -2.223 1.198 10.854 1.00 0.00 C ATOM 299 C LEU A 22 -2.278 2.320 11.894 1.00 0.00 C ATOM 300 O LEU A 22 -3.286 2.487 12.578 1.00 0.00 O ATOM 301 CB LEU A 22 -2.218 1.700 9.409 1.00 0.00 C ATOM 302 CG LEU A 22 -2.161 0.621 8.325 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.833 1.102 7.037 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.722 0.162 8.083 1.00 0.00 C ATOM 0 H LEU A 22 -4.251 0.672 10.855 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.273 0.681 10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.114 2.300 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.363 2.364 9.279 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.721 -0.246 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.779 0.317 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.877 1.340 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.322 1.992 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.710 -0.605 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.118 1.011 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.311 -0.248 9.006 1.00 0.00 H new ATOM 316 N SER A 23 -1.181 3.058 11.979 1.00 0.00 N ATOM 317 CA SER A 23 -1.092 4.159 12.924 1.00 0.00 C ATOM 318 C SER A 23 -2.264 5.121 12.719 1.00 0.00 C ATOM 319 O SER A 23 -2.932 5.505 13.678 1.00 0.00 O ATOM 320 CB SER A 23 0.237 4.903 12.779 1.00 0.00 C ATOM 321 OG SER A 23 0.985 4.901 13.992 1.00 0.00 O ATOM 0 H SER A 23 -0.347 2.916 11.410 1.00 0.00 H new ATOM 0 HA SER A 23 -1.140 3.749 13.933 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.827 4.440 11.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.045 5.931 12.473 1.00 0.00 H new ATOM 0 HG SER A 23 1.827 5.384 13.858 1.00 0.00 H new ATOM 327 N ARG A 24 -2.478 5.483 11.462 1.00 0.00 N ATOM 328 CA ARG A 24 -3.558 6.392 11.119 1.00 0.00 C ATOM 329 C ARG A 24 -4.859 5.616 10.905 1.00 0.00 C ATOM 330 O ARG A 24 -4.863 4.386 10.929 1.00 0.00 O ATOM 331 CB ARG A 24 -3.230 7.183 9.851 1.00 0.00 C ATOM 332 CG ARG A 24 -2.182 8.262 10.133 1.00 0.00 C ATOM 333 CD ARG A 24 -2.503 9.550 9.374 1.00 0.00 C ATOM 334 NE ARG A 24 -1.415 10.535 9.565 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.194 11.198 10.708 1.00 0.00 C ATOM 336 NH1 ARG A 24 -1.983 10.985 11.770 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.183 12.073 10.790 1.00 0.00 N ATOM 0 H ARG A 24 -1.922 5.163 10.669 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.680 7.089 11.948 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.861 6.506 9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.137 7.645 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.144 8.466 11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.196 7.901 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.628 9.335 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.447 9.965 9.728 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.795 10.721 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.752 10.318 11.708 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.814 11.490 12.640 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.419 12.234 9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.015 12.578 11.660 1.00 0.00 H new ATOM 351 N ASN A 25 -5.931 6.366 10.701 1.00 0.00 N ATOM 352 CA ASN A 25 -7.236 5.763 10.483 1.00 0.00 C ATOM 353 C ASN A 25 -7.413 5.466 8.993 1.00 0.00 C ATOM 354 O ASN A 25 -6.956 6.232 8.145 1.00 0.00 O ATOM 355 CB ASN A 25 -8.358 6.709 10.913 1.00 0.00 C ATOM 356 CG ASN A 25 -8.502 6.733 12.436 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.100 5.819 13.138 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.097 7.825 12.907 1.00 0.00 N ATOM 0 H ASN A 25 -5.924 7.386 10.682 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.288 4.849 11.074 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.150 7.715 10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.298 6.393 10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.241 7.935 13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.410 8.553 12.264 1.00 0.00 H new ATOM 365 N LYS A 26 -8.077 4.353 8.719 1.00 0.00 N ATOM 366 CA LYS A 26 -8.320 3.945 7.346 1.00 0.00 C ATOM 367 C LYS A 26 -8.667 5.176 6.507 1.00 0.00 C ATOM 368 O LYS A 26 -8.068 5.405 5.457 1.00 0.00 O ATOM 369 CB LYS A 26 -9.382 2.845 7.293 1.00 0.00 C ATOM 370 CG LYS A 26 -9.499 2.262 5.884 1.00 0.00 C ATOM 371 CD LYS A 26 -10.965 2.086 5.483 1.00 0.00 C ATOM 372 CE LYS A 26 -11.084 1.305 4.172 1.00 0.00 C ATOM 373 NZ LYS A 26 -12.297 0.456 4.184 1.00 0.00 N ATOM 0 H LYS A 26 -8.454 3.721 9.425 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.420 3.507 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.126 2.054 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.345 3.249 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.000 2.919 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.989 1.300 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.502 1.561 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.436 3.063 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.126 1.998 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.199 0.684 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.363 -0.067 3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.242 -0.217 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.139 1.055 4.298 1.00 0.00 H new ATOM 387 N ASP A 27 -9.633 5.937 7.001 1.00 0.00 N ATOM 388 CA ASP A 27 -10.067 7.139 6.310 1.00 0.00 C ATOM 389 C ASP A 27 -8.850 8.016 6.008 1.00 0.00 C ATOM 390 O ASP A 27 -8.519 8.245 4.846 1.00 0.00 O ATOM 391 CB ASP A 27 -11.034 7.952 7.173 1.00 0.00 C ATOM 392 CG ASP A 27 -12.175 8.624 6.408 1.00 0.00 C ATOM 393 OD1 ASP A 27 -11.879 9.206 5.342 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.319 8.541 6.906 1.00 0.00 O ATOM 0 H ASP A 27 -10.127 5.744 7.872 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.571 6.837 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.462 7.295 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.468 8.720 7.700 1.00 0.00 H new ATOM 399 N GLU A 28 -8.218 8.483 7.075 1.00 0.00 N ATOM 400 CA GLU A 28 -7.045 9.330 6.939 1.00 0.00 C ATOM 401 C GLU A 28 -6.159 8.830 5.796 1.00 0.00 C ATOM 402 O GLU A 28 -5.669 9.623 4.993 1.00 0.00 O ATOM 403 CB GLU A 28 -6.262 9.396 8.251 1.00 0.00 C ATOM 404 CG GLU A 28 -7.027 10.197 9.307 1.00 0.00 C ATOM 405 CD GLU A 28 -6.100 11.172 10.034 1.00 0.00 C ATOM 406 OE1 GLU A 28 -5.383 11.910 9.324 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.129 11.159 11.284 1.00 0.00 O ATOM 0 H GLU A 28 -8.496 8.291 8.037 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.376 10.341 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.076 8.387 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.289 9.855 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.840 10.747 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.481 9.516 10.027 1.00 0.00 H new ATOM 414 N VAL A 29 -5.982 7.517 5.758 1.00 0.00 N ATOM 415 CA VAL A 29 -5.163 6.902 4.727 1.00 0.00 C ATOM 416 C VAL A 29 -5.910 6.952 3.393 1.00 0.00 C ATOM 417 O VAL A 29 -5.385 7.458 2.402 1.00 0.00 O ATOM 418 CB VAL A 29 -4.777 5.482 5.144 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.056 4.754 4.007 1.00 0.00 C ATOM 420 CG2 VAL A 29 -3.923 5.496 6.413 1.00 0.00 C ATOM 0 H VAL A 29 -6.392 6.862 6.424 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.231 7.453 4.599 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.695 4.936 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.792 3.747 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.712 4.697 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.150 5.299 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.662 4.474 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.012 6.067 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.485 5.958 7.225 1.00 0.00 H new ATOM 430 N LYS A 30 -7.123 6.419 3.410 1.00 0.00 N ATOM 431 CA LYS A 30 -7.947 6.396 2.213 1.00 0.00 C ATOM 432 C LYS A 30 -7.861 7.754 1.514 1.00 0.00 C ATOM 433 O LYS A 30 -7.739 7.820 0.291 1.00 0.00 O ATOM 434 CB LYS A 30 -9.376 5.970 2.555 1.00 0.00 C ATOM 435 CG LYS A 30 -10.217 5.804 1.288 1.00 0.00 C ATOM 436 CD LYS A 30 -11.710 5.771 1.621 1.00 0.00 C ATOM 437 CE LYS A 30 -12.377 4.529 1.025 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.850 4.669 1.051 1.00 0.00 N ATOM 0 H LYS A 30 -7.555 6.000 4.233 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.576 5.651 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.357 5.031 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.835 6.714 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.012 6.625 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.934 4.883 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.845 5.777 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.193 6.669 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.038 4.383 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.080 3.644 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.287 3.818 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.170 4.786 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.129 5.502 0.495 1.00 0.00 H new ATOM 452 N ALA A 31 -7.929 8.804 2.319 1.00 0.00 N ATOM 453 CA ALA A 31 -7.860 10.156 1.792 1.00 0.00 C ATOM 454 C ALA A 31 -6.440 10.433 1.293 1.00 0.00 C ATOM 455 O ALA A 31 -6.257 11.048 0.243 1.00 0.00 O ATOM 456 CB ALA A 31 -8.302 11.147 2.871 1.00 0.00 C ATOM 0 H ALA A 31 -8.031 8.746 3.332 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.536 10.273 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.250 12.162 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.326 10.926 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.644 11.060 3.736 1.00 0.00 H new ATOM 462 N MET A 32 -5.473 9.966 2.068 1.00 0.00 N ATOM 463 CA MET A 32 -4.076 10.155 1.718 1.00 0.00 C ATOM 464 C MET A 32 -3.745 9.468 0.391 1.00 0.00 C ATOM 465 O MET A 32 -3.115 10.063 -0.481 1.00 0.00 O ATOM 466 CB MET A 32 -3.189 9.583 2.825 1.00 0.00 C ATOM 467 CG MET A 32 -2.355 10.683 3.484 1.00 0.00 C ATOM 468 SD MET A 32 -1.466 10.021 4.883 1.00 0.00 S ATOM 469 CE MET A 32 0.207 10.418 4.404 1.00 0.00 C ATOM 0 H MET A 32 -5.629 9.457 2.938 1.00 0.00 H new ATOM 0 HA MET A 32 -3.890 11.223 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.809 9.093 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.529 8.821 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.654 11.101 2.762 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.003 11.498 3.807 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.895 9.707 4.861 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.297 10.364 3.319 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.452 11.426 4.739 1.00 0.00 H new ATOM 479 N ILE A 33 -4.185 8.223 0.281 1.00 0.00 N ATOM 480 CA ILE A 33 -3.944 7.447 -0.924 1.00 0.00 C ATOM 481 C ILE A 33 -4.587 8.155 -2.118 1.00 0.00 C ATOM 482 O ILE A 33 -4.056 8.117 -3.226 1.00 0.00 O ATOM 483 CB ILE A 33 -4.417 6.004 -0.736 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.674 5.330 0.419 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.291 5.212 -2.039 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.368 4.030 0.833 1.00 0.00 C ATOM 0 H ILE A 33 -4.707 7.732 1.007 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.875 7.383 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.474 6.022 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.647 5.119 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.627 6.008 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.634 4.190 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.901 5.682 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.249 5.199 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.820 3.571 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.387 4.247 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.392 3.345 -0.014 1.00 0.00 H new ATOM 498 N GLU A 34 -5.722 8.784 -1.850 1.00 0.00 N ATOM 499 CA GLU A 34 -6.444 9.500 -2.889 1.00 0.00 C ATOM 500 C GLU A 34 -5.786 10.856 -3.155 1.00 0.00 C ATOM 501 O GLU A 34 -5.623 11.256 -4.307 1.00 0.00 O ATOM 502 CB GLU A 34 -7.917 9.669 -2.516 1.00 0.00 C ATOM 503 CG GLU A 34 -8.677 8.350 -2.669 1.00 0.00 C ATOM 504 CD GLU A 34 -10.122 8.598 -3.108 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.328 9.576 -3.857 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.988 7.802 -2.683 1.00 0.00 O ATOM 0 H GLU A 34 -6.159 8.813 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.401 8.911 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.997 10.022 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.371 10.430 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.174 7.719 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.668 7.809 -1.723 1.00 0.00 H new ATOM 513 N LYS A 35 -5.425 11.525 -2.070 1.00 0.00 N ATOM 514 CA LYS A 35 -4.789 12.828 -2.171 1.00 0.00 C ATOM 515 C LYS A 35 -3.442 12.678 -2.881 1.00 0.00 C ATOM 516 O LYS A 35 -2.978 13.607 -3.542 1.00 0.00 O ATOM 517 CB LYS A 35 -4.688 13.484 -0.793 1.00 0.00 C ATOM 518 CG LYS A 35 -3.323 13.215 -0.156 1.00 0.00 C ATOM 519 CD LYS A 35 -2.331 14.329 -0.496 1.00 0.00 C ATOM 520 CE LYS A 35 -2.352 15.426 0.570 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.616 16.621 0.099 1.00 0.00 N ATOM 0 H LYS A 35 -5.561 11.189 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.396 13.503 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.845 14.559 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.477 13.102 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.431 13.137 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.936 12.259 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.326 13.914 -0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.578 14.757 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.382 15.695 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.903 15.055 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.640 17.356 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.628 16.364 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.062 16.984 -0.768 1.00 0.00 H new ATOM 535 N LEU A 36 -2.852 11.503 -2.721 1.00 0.00 N ATOM 536 CA LEU A 36 -1.567 11.220 -3.338 1.00 0.00 C ATOM 537 C LEU A 36 -1.787 10.796 -4.792 1.00 0.00 C ATOM 538 O LEU A 36 -0.843 10.410 -5.479 1.00 0.00 O ATOM 539 CB LEU A 36 -0.788 10.196 -2.510 1.00 0.00 C ATOM 540 CG LEU A 36 -0.357 10.651 -1.114 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.031 9.454 -0.243 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.765 11.687 -1.197 1.00 0.00 C ATOM 0 H LEU A 36 -3.240 10.735 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.948 12.117 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.401 9.301 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.103 9.909 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.208 11.136 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.333 9.805 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.823 8.784 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.860 8.919 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.052 11.993 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.626 11.251 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.417 12.556 -1.756 1.00 0.00 H new ATOM 554 N GLY A 37 -3.039 10.883 -5.217 1.00 0.00 N ATOM 555 CA GLY A 37 -3.395 10.513 -6.577 1.00 0.00 C ATOM 556 C GLY A 37 -3.745 9.027 -6.667 1.00 0.00 C ATOM 557 O GLY A 37 -4.319 8.579 -7.658 1.00 0.00 O ATOM 0 H GLY A 37 -3.819 11.204 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.243 11.111 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.565 10.736 -7.247 1.00 0.00 H new ATOM 561 N GLY A 38 -3.385 8.302 -5.617 1.00 0.00 N ATOM 562 CA GLY A 38 -3.654 6.875 -5.565 1.00 0.00 C ATOM 563 C GLY A 38 -5.138 6.606 -5.307 1.00 0.00 C ATOM 564 O GLY A 38 -5.967 7.507 -5.430 1.00 0.00 O ATOM 0 H GLY A 38 -2.909 8.677 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.354 6.410 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.055 6.417 -4.778 1.00 0.00 H new ATOM 568 N LYS A 39 -5.429 5.363 -4.954 1.00 0.00 N ATOM 569 CA LYS A 39 -6.798 4.964 -4.677 1.00 0.00 C ATOM 570 C LYS A 39 -6.793 3.722 -3.784 1.00 0.00 C ATOM 571 O LYS A 39 -6.051 2.774 -4.038 1.00 0.00 O ATOM 572 CB LYS A 39 -7.577 4.780 -5.982 1.00 0.00 C ATOM 573 CG LYS A 39 -8.092 6.122 -6.507 1.00 0.00 C ATOM 574 CD LYS A 39 -7.272 6.591 -7.710 1.00 0.00 C ATOM 575 CE LYS A 39 -8.161 6.777 -8.941 1.00 0.00 C ATOM 576 NZ LYS A 39 -7.645 7.871 -9.793 1.00 0.00 N ATOM 0 H LYS A 39 -4.739 4.618 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.319 5.749 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.935 4.315 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.416 4.104 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.140 6.027 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.043 6.869 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.774 7.531 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.491 5.863 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.199 5.850 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.181 7.001 -8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.260 7.984 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.632 8.758 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.680 7.642 -10.105 1.00 0.00 H new ATOM 590 N LEU A 40 -7.628 3.767 -2.757 1.00 0.00 N ATOM 591 CA LEU A 40 -7.729 2.657 -1.824 1.00 0.00 C ATOM 592 C LEU A 40 -8.696 1.613 -2.384 1.00 0.00 C ATOM 593 O LEU A 40 -9.769 1.957 -2.879 1.00 0.00 O ATOM 594 CB LEU A 40 -8.107 3.161 -0.430 1.00 0.00 C ATOM 595 CG LEU A 40 -7.903 2.171 0.719 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.897 2.712 1.737 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.238 1.805 1.370 1.00 0.00 C ATOM 0 H LEU A 40 -8.242 4.555 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.762 2.167 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.524 4.057 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.155 3.459 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.483 1.253 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.770 1.989 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.938 2.880 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.265 3.652 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.065 1.100 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.710 2.705 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.892 1.348 0.627 1.00 0.00 H new ATOM 609 N THR A 41 -8.283 0.358 -2.287 1.00 0.00 N ATOM 610 CA THR A 41 -9.101 -0.739 -2.778 1.00 0.00 C ATOM 611 C THR A 41 -9.286 -1.796 -1.687 1.00 0.00 C ATOM 612 O THR A 41 -8.627 -1.744 -0.649 1.00 0.00 O ATOM 613 CB THR A 41 -8.445 -1.286 -4.047 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.303 -2.351 -4.450 1.00 0.00 O ATOM 615 CG2 THR A 41 -7.106 -1.971 -3.767 1.00 0.00 C ATOM 0 H THR A 41 -7.393 0.076 -1.876 1.00 0.00 H new ATOM 0 HA THR A 41 -10.105 -0.400 -3.033 1.00 0.00 H new ATOM 0 HB THR A 41 -8.294 -0.472 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.953 -2.762 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.684 -2.341 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.418 -1.255 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.260 -2.806 -3.083 1.00 0.00 H new ATOM 623 N GLY A 42 -10.186 -2.729 -1.958 1.00 0.00 N ATOM 624 CA GLY A 42 -10.467 -3.796 -1.013 1.00 0.00 C ATOM 625 C GLY A 42 -9.666 -5.055 -1.353 1.00 0.00 C ATOM 626 O GLY A 42 -9.196 -5.757 -0.459 1.00 0.00 O ATOM 0 H GLY A 42 -10.731 -2.768 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.222 -3.466 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.533 -4.025 -1.024 1.00 0.00 H new ATOM 630 N THR A 43 -9.536 -5.303 -2.648 1.00 0.00 N ATOM 631 CA THR A 43 -8.801 -6.465 -3.118 1.00 0.00 C ATOM 632 C THR A 43 -7.295 -6.203 -3.056 1.00 0.00 C ATOM 633 O THR A 43 -6.866 -5.065 -2.872 1.00 0.00 O ATOM 634 CB THR A 43 -9.302 -6.805 -4.523 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.680 -7.115 -4.335 1.00 0.00 O ATOM 636 CG2 THR A 43 -8.698 -8.103 -5.061 1.00 0.00 C ATOM 0 H THR A 43 -9.927 -4.719 -3.387 1.00 0.00 H new ATOM 0 HA THR A 43 -8.975 -7.330 -2.478 1.00 0.00 H new ATOM 0 HB THR A 43 -9.064 -5.985 -5.201 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.084 -7.346 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.086 -8.298 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.613 -8.008 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.964 -8.929 -4.401 1.00 0.00 H new ATOM 644 N ALA A 44 -6.534 -7.276 -3.214 1.00 0.00 N ATOM 645 CA ALA A 44 -5.085 -7.177 -3.179 1.00 0.00 C ATOM 646 C ALA A 44 -4.532 -7.339 -4.597 1.00 0.00 C ATOM 647 O ALA A 44 -3.726 -6.527 -5.049 1.00 0.00 O ATOM 648 CB ALA A 44 -4.525 -8.223 -2.212 1.00 0.00 C ATOM 0 H ALA A 44 -6.894 -8.218 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.776 -6.197 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.438 -8.149 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.925 -8.047 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.813 -9.219 -2.547 1.00 0.00 H new ATOM 654 N ASN A 45 -4.988 -8.392 -5.259 1.00 0.00 N ATOM 655 CA ASN A 45 -4.549 -8.670 -6.616 1.00 0.00 C ATOM 656 C ASN A 45 -4.899 -7.482 -7.514 1.00 0.00 C ATOM 657 O ASN A 45 -4.359 -7.348 -8.611 1.00 0.00 O ATOM 658 CB ASN A 45 -5.248 -9.909 -7.177 1.00 0.00 C ATOM 659 CG ASN A 45 -5.198 -11.067 -6.178 1.00 0.00 C ATOM 660 OD1 ASN A 45 -5.581 -10.944 -5.027 1.00 0.00 O ATOM 661 ND2 ASN A 45 -4.706 -12.195 -6.682 1.00 0.00 N ATOM 0 H ASN A 45 -5.657 -9.063 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.473 -8.842 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.286 -9.671 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.771 -10.208 -8.110 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.631 -13.026 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.403 -12.229 -7.655 1.00 0.00 H new ATOM 668 N LYS A 46 -5.801 -6.649 -7.015 1.00 0.00 N ATOM 669 CA LYS A 46 -6.229 -5.477 -7.758 1.00 0.00 C ATOM 670 C LYS A 46 -5.655 -4.221 -7.098 1.00 0.00 C ATOM 671 O LYS A 46 -6.327 -3.194 -7.021 1.00 0.00 O ATOM 672 CB LYS A 46 -7.753 -5.457 -7.896 1.00 0.00 C ATOM 673 CG LYS A 46 -8.246 -6.663 -8.698 1.00 0.00 C ATOM 674 CD LYS A 46 -9.002 -6.216 -9.951 1.00 0.00 C ATOM 675 CE LYS A 46 -9.425 -7.420 -10.795 1.00 0.00 C ATOM 676 NZ LYS A 46 -10.894 -7.437 -10.975 1.00 0.00 N ATOM 0 H LYS A 46 -6.247 -6.763 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.840 -5.509 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.211 -5.461 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.065 -4.536 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.398 -7.286 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.897 -7.277 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.883 -5.642 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.370 -5.555 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.934 -7.380 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.101 -8.342 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.164 -8.261 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.357 -7.497 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.195 -6.565 -11.456 1.00 0.00 H new ATOM 690 N ALA A 47 -4.419 -4.346 -6.638 1.00 0.00 N ATOM 691 CA ALA A 47 -3.747 -3.235 -5.986 1.00 0.00 C ATOM 692 C ALA A 47 -2.278 -3.212 -6.412 1.00 0.00 C ATOM 693 O ALA A 47 -1.704 -4.252 -6.731 1.00 0.00 O ATOM 694 CB ALA A 47 -3.913 -3.355 -4.470 1.00 0.00 C ATOM 0 H ALA A 47 -3.865 -5.200 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.193 -2.287 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.409 -2.521 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.973 -3.336 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.476 -4.293 -4.129 1.00 0.00 H new ATOM 700 N SER A 48 -1.710 -2.015 -6.402 1.00 0.00 N ATOM 701 CA SER A 48 -0.319 -1.843 -6.783 1.00 0.00 C ATOM 702 C SER A 48 0.571 -1.859 -5.538 1.00 0.00 C ATOM 703 O SER A 48 1.716 -2.305 -5.594 1.00 0.00 O ATOM 704 CB SER A 48 -0.117 -0.543 -7.563 1.00 0.00 C ATOM 705 OG SER A 48 1.205 -0.430 -8.082 1.00 0.00 O ATOM 0 H SER A 48 -2.189 -1.154 -6.136 1.00 0.00 H new ATOM 0 HA SER A 48 -0.038 -2.672 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.833 -0.498 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.324 0.306 -6.912 1.00 0.00 H new ATOM 0 HG SER A 48 1.274 0.380 -8.629 1.00 0.00 H new ATOM 711 N LEU A 49 0.010 -1.367 -4.443 1.00 0.00 N ATOM 712 CA LEU A 49 0.737 -1.319 -3.187 1.00 0.00 C ATOM 713 C LEU A 49 -0.103 -1.977 -2.090 1.00 0.00 C ATOM 714 O LEU A 49 -1.307 -2.166 -2.255 1.00 0.00 O ATOM 715 CB LEU A 49 1.154 0.118 -2.863 1.00 0.00 C ATOM 716 CG LEU A 49 2.531 0.288 -2.219 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.581 -0.564 -2.935 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.931 1.763 -2.162 1.00 0.00 C ATOM 0 H LEU A 49 -0.940 -0.998 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 49 1.664 -1.887 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.132 0.698 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.407 0.550 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 49 2.474 -0.070 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.551 -0.424 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.297 -1.615 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.645 -0.261 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.914 1.856 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.965 2.170 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.199 2.316 -1.573 1.00 0.00 H new ATOM 730 N CYS A 50 0.566 -2.308 -0.995 1.00 0.00 N ATOM 731 CA CYS A 50 -0.104 -2.942 0.128 1.00 0.00 C ATOM 732 C CYS A 50 0.437 -2.325 1.419 1.00 0.00 C ATOM 733 O CYS A 50 1.592 -2.544 1.780 1.00 0.00 O ATOM 734 CB CYS A 50 0.069 -4.462 0.106 1.00 0.00 C ATOM 735 SG CYS A 50 -0.888 -5.220 1.468 1.00 0.00 S ATOM 0 H CYS A 50 1.565 -2.149 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.177 -2.764 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.267 -4.861 -0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.124 -4.718 0.205 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.386 -6.384 1.756 1.00 0.00 H new ATOM 741 N ILE A 51 -0.425 -1.565 2.080 1.00 0.00 N ATOM 742 CA ILE A 51 -0.048 -0.915 3.324 1.00 0.00 C ATOM 743 C ILE A 51 -0.564 -1.742 4.503 1.00 0.00 C ATOM 744 O ILE A 51 -1.712 -1.591 4.917 1.00 0.00 O ATOM 745 CB ILE A 51 -0.527 0.538 3.336 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.059 1.318 2.157 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.218 1.207 4.677 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.230 2.814 2.292 1.00 0.00 C ATOM 0 H ILE A 51 -1.382 -1.385 1.778 1.00 0.00 H new ATOM 0 HA ILE A 51 1.037 -0.869 3.416 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.611 0.541 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.136 1.155 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.363 0.945 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.569 2.239 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.722 0.667 5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.858 1.193 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.197 3.345 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.308 2.976 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.214 3.189 3.214 1.00 0.00 H new ATOM 760 N SER A 52 0.310 -2.599 5.011 1.00 0.00 N ATOM 761 CA SER A 52 -0.043 -3.451 6.134 1.00 0.00 C ATOM 762 C SER A 52 1.010 -3.325 7.237 1.00 0.00 C ATOM 763 O SER A 52 1.898 -2.477 7.159 1.00 0.00 O ATOM 764 CB SER A 52 -0.182 -4.910 5.697 1.00 0.00 C ATOM 765 OG SER A 52 -1.081 -5.634 6.532 1.00 0.00 O ATOM 0 H SER A 52 1.262 -2.722 4.665 1.00 0.00 H new ATOM 0 HA SER A 52 -1.008 -3.123 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.535 -4.948 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.797 -5.389 5.717 1.00 0.00 H new ATOM 0 HG SER A 52 -1.480 -5.025 7.188 1.00 0.00 H new ATOM 771 N THR A 53 0.877 -4.181 8.239 1.00 0.00 N ATOM 772 CA THR A 53 1.805 -4.176 9.357 1.00 0.00 C ATOM 773 C THR A 53 2.683 -5.429 9.326 1.00 0.00 C ATOM 774 O THR A 53 2.290 -6.453 8.770 1.00 0.00 O ATOM 775 CB THR A 53 0.994 -4.034 10.646 1.00 0.00 C ATOM 776 OG1 THR A 53 0.077 -5.124 10.600 1.00 0.00 O ATOM 777 CG2 THR A 53 0.098 -2.794 10.640 1.00 0.00 C ATOM 0 H THR A 53 0.140 -4.883 8.300 1.00 0.00 H new ATOM 0 HA THR A 53 2.493 -3.333 9.296 1.00 0.00 H new ATOM 0 HB THR A 53 1.672 -3.988 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.488 -5.110 11.400 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.456 -2.741 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.713 -1.901 10.531 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.603 -2.856 9.808 1.00 0.00 H new ATOM 785 N LYS A 54 3.856 -5.306 9.930 1.00 0.00 N ATOM 786 CA LYS A 54 4.792 -6.416 9.979 1.00 0.00 C ATOM 787 C LYS A 54 4.057 -7.679 10.431 1.00 0.00 C ATOM 788 O LYS A 54 4.085 -8.698 9.743 1.00 0.00 O ATOM 789 CB LYS A 54 5.998 -6.061 10.852 1.00 0.00 C ATOM 790 CG LYS A 54 6.901 -7.279 11.061 1.00 0.00 C ATOM 791 CD LYS A 54 7.906 -7.419 9.917 1.00 0.00 C ATOM 792 CE LYS A 54 9.299 -6.959 10.351 1.00 0.00 C ATOM 793 NZ LYS A 54 10.328 -7.471 9.419 1.00 0.00 N ATOM 0 H LYS A 54 4.179 -4.455 10.389 1.00 0.00 H new ATOM 0 HA LYS A 54 5.194 -6.619 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.567 -5.258 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.656 -5.688 11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.433 -7.184 12.008 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.292 -8.181 11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.948 -8.458 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.574 -6.829 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.336 -5.870 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.507 -7.312 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.267 -7.149 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.303 -8.511 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.138 -7.113 8.461 1.00 0.00 H new ATOM 807 N LYS A 55 3.415 -7.571 11.585 1.00 0.00 N ATOM 808 CA LYS A 55 2.673 -8.692 12.136 1.00 0.00 C ATOM 809 C LYS A 55 1.956 -9.430 11.004 1.00 0.00 C ATOM 810 O LYS A 55 2.279 -10.579 10.705 1.00 0.00 O ATOM 811 CB LYS A 55 1.737 -8.219 13.251 1.00 0.00 C ATOM 812 CG LYS A 55 2.174 -8.776 14.607 1.00 0.00 C ATOM 813 CD LYS A 55 1.537 -10.142 14.870 1.00 0.00 C ATOM 814 CE LYS A 55 2.466 -11.031 15.699 1.00 0.00 C ATOM 815 NZ LYS A 55 3.442 -11.719 14.824 1.00 0.00 N ATOM 0 H LYS A 55 3.393 -6.724 12.153 1.00 0.00 H new ATOM 0 HA LYS A 55 3.352 -9.406 12.602 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.730 -7.130 13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.717 -8.538 13.034 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.260 -8.866 14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.892 -8.081 15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.590 -10.011 15.394 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.311 -10.630 13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.993 -10.427 16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.880 -11.767 16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.065 -12.318 15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.934 -12.310 14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.013 -11.012 14.318 1.00 0.00 H new ATOM 829 N GLU A 56 0.996 -8.740 10.405 1.00 0.00 N ATOM 830 CA GLU A 56 0.231 -9.316 9.312 1.00 0.00 C ATOM 831 C GLU A 56 1.144 -10.138 8.401 1.00 0.00 C ATOM 832 O GLU A 56 0.947 -11.342 8.241 1.00 0.00 O ATOM 833 CB GLU A 56 -0.499 -8.228 8.521 1.00 0.00 C ATOM 834 CG GLU A 56 -2.013 -8.447 8.557 1.00 0.00 C ATOM 835 CD GLU A 56 -2.408 -9.681 7.744 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.482 -10.426 7.357 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.627 -9.850 7.527 1.00 0.00 O ATOM 0 H GLU A 56 0.731 -7.788 10.656 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.523 -9.981 9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.260 -7.249 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.152 -8.230 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.342 -8.566 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.521 -7.568 8.160 1.00 0.00 H new ATOM 844 N VAL A 57 2.124 -9.455 7.826 1.00 0.00 N ATOM 845 CA VAL A 57 3.068 -10.107 6.935 1.00 0.00 C ATOM 846 C VAL A 57 3.617 -11.364 7.612 1.00 0.00 C ATOM 847 O VAL A 57 3.802 -12.393 6.963 1.00 0.00 O ATOM 848 CB VAL A 57 4.164 -9.123 6.522 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.002 -9.685 5.372 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.568 -7.763 6.152 1.00 0.00 C ATOM 0 H VAL A 57 2.284 -8.457 7.960 1.00 0.00 H new ATOM 0 HA VAL A 57 2.571 -10.423 6.018 1.00 0.00 H new ATOM 0 HB VAL A 57 4.824 -8.979 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.774 -8.965 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.471 -10.618 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.360 -9.873 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.368 -7.082 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.875 -7.884 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.036 -7.353 7.010 1.00 0.00 H new ATOM 860 N GLU A 58 3.863 -11.240 8.908 1.00 0.00 N ATOM 861 CA GLU A 58 4.388 -12.354 9.680 1.00 0.00 C ATOM 862 C GLU A 58 3.293 -13.393 9.926 1.00 0.00 C ATOM 863 O GLU A 58 3.584 -14.564 10.164 1.00 0.00 O ATOM 864 CB GLU A 58 4.991 -11.869 11.000 1.00 0.00 C ATOM 865 CG GLU A 58 6.451 -11.452 10.816 1.00 0.00 C ATOM 866 CD GLU A 58 7.267 -11.740 12.078 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.929 -11.141 13.122 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.210 -12.553 11.971 1.00 0.00 O ATOM 0 H GLU A 58 3.709 -10.385 9.443 1.00 0.00 H new ATOM 0 HA GLU A 58 5.185 -12.826 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.414 -11.026 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.927 -12.661 11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.882 -11.987 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.502 -10.389 10.580 1.00 0.00 H new ATOM 875 N LYS A 59 2.054 -12.927 9.859 1.00 0.00 N ATOM 876 CA LYS A 59 0.913 -13.801 10.072 1.00 0.00 C ATOM 877 C LYS A 59 0.595 -14.542 8.772 1.00 0.00 C ATOM 878 O LYS A 59 0.265 -15.727 8.793 1.00 0.00 O ATOM 879 CB LYS A 59 -0.270 -13.011 10.634 1.00 0.00 C ATOM 880 CG LYS A 59 -1.562 -13.355 9.890 1.00 0.00 C ATOM 881 CD LYS A 59 -2.790 -12.928 10.697 1.00 0.00 C ATOM 882 CE LYS A 59 -3.275 -11.542 10.266 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.451 -11.133 11.065 1.00 0.00 N ATOM 0 H LYS A 59 1.816 -11.955 9.660 1.00 0.00 H new ATOM 0 HA LYS A 59 1.147 -14.557 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.388 -13.231 11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.071 -11.943 10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.570 -12.859 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.602 -14.428 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.590 -13.656 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.546 -12.918 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.473 -10.815 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.534 -11.554 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.767 -10.190 10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.221 -11.818 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.193 -11.102 12.072 1.00 0.00 H new ATOM 897 N MET A 60 0.707 -13.815 7.670 1.00 0.00 N ATOM 898 CA MET A 60 0.436 -14.388 6.363 1.00 0.00 C ATOM 899 C MET A 60 -0.993 -14.930 6.288 1.00 0.00 C ATOM 900 O MET A 60 -1.199 -16.115 6.031 1.00 0.00 O ATOM 901 CB MET A 60 1.427 -15.521 6.087 1.00 0.00 C ATOM 902 CG MET A 60 2.707 -14.986 5.443 1.00 0.00 C ATOM 903 SD MET A 60 2.575 -15.066 3.665 1.00 0.00 S ATOM 904 CE MET A 60 2.339 -13.337 3.293 1.00 0.00 C ATOM 0 H MET A 60 0.982 -12.833 7.656 1.00 0.00 H new ATOM 0 HA MET A 60 0.548 -13.605 5.613 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.670 -16.031 7.019 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.967 -16.259 5.431 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.879 -13.957 5.757 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.564 -15.569 5.779 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.485 -13.171 2.226 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.328 -13.040 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.059 -12.742 3.855 1.00 0.00 H new ATOM 914 N ASN A 61 -1.943 -14.036 6.516 1.00 0.00 N ATOM 915 CA ASN A 61 -3.347 -14.409 6.477 1.00 0.00 C ATOM 916 C ASN A 61 -3.842 -14.365 5.030 1.00 0.00 C ATOM 917 O ASN A 61 -3.191 -13.783 4.164 1.00 0.00 O ATOM 918 CB ASN A 61 -4.198 -13.437 7.297 1.00 0.00 C ATOM 919 CG ASN A 61 -5.676 -13.830 7.252 1.00 0.00 C ATOM 920 OD1 ASN A 61 -6.041 -14.987 7.380 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.503 -12.806 7.065 1.00 0.00 N ATOM 0 H ASN A 61 -1.768 -13.054 6.729 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.441 -15.412 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.852 -13.428 8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.075 -12.425 6.911 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.510 -12.965 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.131 -11.862 6.965 1.00 0.00 H new ATOM 928 N LYS A 62 -4.990 -14.989 4.812 1.00 0.00 N ATOM 929 CA LYS A 62 -5.580 -15.029 3.485 1.00 0.00 C ATOM 930 C LYS A 62 -5.419 -13.661 2.818 1.00 0.00 C ATOM 931 O LYS A 62 -4.983 -13.573 1.672 1.00 0.00 O ATOM 932 CB LYS A 62 -7.031 -15.511 3.557 1.00 0.00 C ATOM 933 CG LYS A 62 -7.267 -16.684 2.603 1.00 0.00 C ATOM 934 CD LYS A 62 -7.339 -18.007 3.368 1.00 0.00 C ATOM 935 CE LYS A 62 -7.986 -19.099 2.514 1.00 0.00 C ATOM 936 NZ LYS A 62 -9.458 -19.075 2.671 1.00 0.00 N ATOM 0 H LYS A 62 -5.528 -15.471 5.532 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.059 -15.753 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.267 -15.814 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.703 -14.691 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.194 -16.528 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.463 -16.728 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.336 -18.316 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.912 -17.870 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.724 -18.953 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.599 -20.075 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.882 -19.822 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.703 -19.236 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.824 -18.149 2.370 1.00 0.00 H new ATOM 950 N LYS A 63 -5.780 -12.628 3.566 1.00 0.00 N ATOM 951 CA LYS A 63 -5.681 -11.269 3.062 1.00 0.00 C ATOM 952 C LYS A 63 -4.271 -11.033 2.519 1.00 0.00 C ATOM 953 O LYS A 63 -4.100 -10.714 1.343 1.00 0.00 O ATOM 954 CB LYS A 63 -6.102 -10.267 4.138 1.00 0.00 C ATOM 955 CG LYS A 63 -7.465 -9.652 3.813 1.00 0.00 C ATOM 956 CD LYS A 63 -7.343 -8.606 2.703 1.00 0.00 C ATOM 957 CE LYS A 63 -8.585 -8.608 1.809 1.00 0.00 C ATOM 958 NZ LYS A 63 -8.258 -9.143 0.469 1.00 0.00 N ATOM 0 H LYS A 63 -6.141 -12.705 4.517 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.372 -11.119 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.146 -10.765 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.353 -9.479 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.157 -10.435 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.883 -9.191 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.209 -7.618 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.457 -8.810 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.369 -9.212 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.976 -7.595 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.112 -9.137 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.526 -8.551 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.906 -10.117 0.561 1.00 0.00 H new ATOM 972 N MET A 64 -3.296 -11.198 3.401 1.00 0.00 N ATOM 973 CA MET A 64 -1.906 -11.006 3.025 1.00 0.00 C ATOM 974 C MET A 64 -1.514 -11.941 1.878 1.00 0.00 C ATOM 975 O MET A 64 -0.747 -11.559 0.996 1.00 0.00 O ATOM 976 CB MET A 64 -1.007 -11.277 4.233 1.00 0.00 C ATOM 977 CG MET A 64 0.436 -10.857 3.948 1.00 0.00 C ATOM 978 SD MET A 64 0.493 -9.131 3.498 1.00 0.00 S ATOM 979 CE MET A 64 0.109 -8.387 5.075 1.00 0.00 C ATOM 0 H MET A 64 -3.442 -11.463 4.375 1.00 0.00 H new ATOM 0 HA MET A 64 -1.779 -9.976 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.383 -10.734 5.100 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.038 -12.337 4.483 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.055 -11.032 4.828 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.848 -11.465 3.142 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.878 -7.926 5.029 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.116 -9.153 5.850 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.854 -7.627 5.310 1.00 0.00 H new ATOM 989 N GLU A 65 -2.060 -13.147 1.928 1.00 0.00 N ATOM 990 CA GLU A 65 -1.777 -14.139 0.904 1.00 0.00 C ATOM 991 C GLU A 65 -2.041 -13.557 -0.486 1.00 0.00 C ATOM 992 O GLU A 65 -1.224 -13.710 -1.393 1.00 0.00 O ATOM 993 CB GLU A 65 -2.597 -15.410 1.131 1.00 0.00 C ATOM 994 CG GLU A 65 -1.769 -16.475 1.855 1.00 0.00 C ATOM 995 CD GLU A 65 -1.301 -17.559 0.882 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.252 -17.333 0.241 1.00 0.00 O ATOM 997 OE2 GLU A 65 -2.003 -18.591 0.802 1.00 0.00 O ATOM 0 H GLU A 65 -2.697 -13.460 2.661 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.723 -14.410 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.485 -15.174 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.941 -15.801 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.905 -16.009 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.364 -16.926 2.649 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.186 -12.902 -0.610 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.569 -12.296 -1.875 1.00 0.00 C ATOM 1006 C GLU A 66 -2.468 -11.354 -2.366 1.00 0.00 C ATOM 1007 O GLU A 66 -2.149 -11.332 -3.554 1.00 0.00 O ATOM 1008 CB GLU A 66 -4.904 -11.561 -1.749 1.00 0.00 C ATOM 1009 CG GLU A 66 -5.988 -12.484 -1.187 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.906 -12.993 -2.300 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.357 -13.381 -3.355 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.134 -12.982 -2.072 1.00 0.00 O ATOM 0 H GLU A 66 -3.861 -12.777 0.144 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.697 -13.089 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.786 -10.695 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.211 -11.187 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.523 -13.329 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.576 -11.948 -0.442 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.917 -10.598 -1.428 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.859 -9.656 -1.751 1.00 0.00 C ATOM 1021 C VAL A 67 0.391 -10.427 -2.179 1.00 0.00 C ATOM 1022 O VAL A 67 1.111 -9.999 -3.079 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.609 -8.723 -0.564 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.412 -7.642 -0.923 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.917 -8.101 -0.071 1.00 0.00 C ATOM 0 H VAL A 67 -2.184 -10.619 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.153 -9.023 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.194 -9.318 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.572 -6.992 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.355 -8.111 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.038 -7.051 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.711 -7.442 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.373 -7.526 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.600 -8.891 0.243 1.00 0.00 H new ATOM 1035 N LYS A 68 0.611 -11.552 -1.513 1.00 0.00 N ATOM 1036 CA LYS A 68 1.761 -12.387 -1.813 1.00 0.00 C ATOM 1037 C LYS A 68 1.577 -13.025 -3.191 1.00 0.00 C ATOM 1038 O LYS A 68 2.545 -13.219 -3.924 1.00 0.00 O ATOM 1039 CB LYS A 68 1.995 -13.401 -0.692 1.00 0.00 C ATOM 1040 CG LYS A 68 3.297 -14.172 -0.913 1.00 0.00 C ATOM 1041 CD LYS A 68 3.896 -14.630 0.419 1.00 0.00 C ATOM 1042 CE LYS A 68 5.319 -15.160 0.227 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.309 -16.380 -0.610 1.00 0.00 N ATOM 0 H LYS A 68 0.012 -11.904 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 68 2.668 -11.784 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.032 -12.885 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.158 -14.098 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.108 -15.038 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.013 -13.541 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.906 -13.798 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.270 -15.408 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.938 -14.395 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.765 -15.381 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.270 -16.774 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.668 -17.083 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.982 -16.141 -1.568 1.00 0.00 H new ATOM 1057 N GLU A 69 0.327 -13.335 -3.502 1.00 0.00 N ATOM 1058 CA GLU A 69 0.003 -13.948 -4.779 1.00 0.00 C ATOM 1059 C GLU A 69 0.298 -12.976 -5.924 1.00 0.00 C ATOM 1060 O GLU A 69 0.896 -13.358 -6.929 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.456 -14.408 -4.812 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.775 -15.307 -3.616 1.00 0.00 C ATOM 1063 CD GLU A 69 -2.483 -16.586 -4.066 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.829 -17.376 -4.781 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -3.663 -16.746 -3.684 1.00 0.00 O ATOM 0 H GLU A 69 -0.474 -13.173 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 69 0.630 -14.830 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.115 -13.540 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.650 -14.948 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.854 -15.562 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.405 -14.768 -2.909 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.136 -11.739 -5.734 1.00 0.00 N ATOM 1073 CA ALA A 70 0.074 -10.710 -6.738 1.00 0.00 C ATOM 1074 C ALA A 70 1.457 -10.086 -6.542 1.00 0.00 C ATOM 1075 O ALA A 70 1.788 -9.088 -7.180 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.050 -9.675 -6.652 1.00 0.00 C ATOM 0 H ALA A 70 -0.632 -11.426 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 70 0.045 -11.140 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.892 -8.903 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.008 -10.163 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.051 -9.220 -5.661 1.00 0.00 H new ATOM 1082 N ASN A 71 2.228 -10.700 -5.656 1.00 0.00 N ATOM 1083 CA ASN A 71 3.567 -10.217 -5.367 1.00 0.00 C ATOM 1084 C ASN A 71 3.541 -8.692 -5.251 1.00 0.00 C ATOM 1085 O ASN A 71 4.237 -7.998 -5.991 1.00 0.00 O ATOM 1086 CB ASN A 71 4.540 -10.590 -6.488 1.00 0.00 C ATOM 1087 CG ASN A 71 5.939 -10.861 -5.932 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.136 -11.055 -4.744 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.897 -10.862 -6.854 1.00 0.00 N ATOM 0 H ASN A 71 1.950 -11.528 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 71 3.897 -10.675 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.175 -11.474 -7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.585 -9.782 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.865 -11.032 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.663 -10.693 -7.832 1.00 0.00 H new ATOM 1096 N ILE A 72 2.731 -8.215 -4.317 1.00 0.00 N ATOM 1097 CA ILE A 72 2.606 -6.785 -4.094 1.00 0.00 C ATOM 1098 C ILE A 72 3.402 -6.395 -2.847 1.00 0.00 C ATOM 1099 O ILE A 72 3.037 -6.766 -1.733 1.00 0.00 O ATOM 1100 CB ILE A 72 1.131 -6.380 -4.034 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.390 -6.819 -5.298 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.986 -4.879 -3.777 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.125 -6.743 -5.100 1.00 0.00 C ATOM 0 H ILE A 72 2.155 -8.794 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 72 3.032 -6.230 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 72 0.668 -6.897 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.683 -6.185 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.676 -7.839 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.071 -4.617 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.457 -4.625 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.469 -4.324 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.628 -7.060 -6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.418 -7.397 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.410 -5.717 -4.866 1.00 0.00 H new ATOM 1115 N ARG A 73 4.474 -5.652 -3.077 1.00 0.00 N ATOM 1116 CA ARG A 73 5.325 -5.208 -1.987 1.00 0.00 C ATOM 1117 C ARG A 73 4.483 -4.557 -0.888 1.00 0.00 C ATOM 1118 O ARG A 73 3.714 -3.634 -1.155 1.00 0.00 O ATOM 1119 CB ARG A 73 6.373 -4.207 -2.478 1.00 0.00 C ATOM 1120 CG ARG A 73 5.747 -2.832 -2.719 1.00 0.00 C ATOM 1121 CD ARG A 73 6.681 -1.941 -3.540 1.00 0.00 C ATOM 1122 NE ARG A 73 6.943 -2.560 -4.858 1.00 0.00 N ATOM 1123 CZ ARG A 73 6.161 -2.395 -5.934 1.00 0.00 C ATOM 1124 NH1 ARG A 73 5.065 -1.629 -5.855 1.00 0.00 N ATOM 1125 NH2 ARG A 73 6.477 -2.995 -7.090 1.00 0.00 N ATOM 0 H ARG A 73 4.773 -5.346 -4.003 1.00 0.00 H new ATOM 0 HA ARG A 73 5.836 -6.084 -1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.173 -4.122 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.825 -4.571 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.797 -2.947 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.530 -2.355 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.233 -0.957 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.619 -1.794 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 73 7.770 -3.149 -4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.825 -1.171 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.470 -1.504 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.312 -3.577 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.882 -2.870 -7.909 1.00 0.00 H new ATOM 1139 N VAL A 74 4.656 -5.062 0.325 1.00 0.00 N ATOM 1140 CA VAL A 74 3.922 -4.541 1.465 1.00 0.00 C ATOM 1141 C VAL A 74 4.789 -3.516 2.199 1.00 0.00 C ATOM 1142 O VAL A 74 5.930 -3.805 2.556 1.00 0.00 O ATOM 1143 CB VAL A 74 3.466 -5.692 2.364 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.477 -5.201 3.423 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.864 -6.829 1.536 1.00 0.00 C ATOM 0 H VAL A 74 5.294 -5.827 0.543 1.00 0.00 H new ATOM 0 HA VAL A 74 3.019 -4.027 1.136 1.00 0.00 H new ATOM 0 HB VAL A 74 4.343 -6.082 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.168 -6.038 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.954 -4.442 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.603 -4.773 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.548 -7.634 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.003 -6.458 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.611 -7.206 0.838 1.00 0.00 H new ATOM 1155 N VAL A 75 4.214 -2.340 2.403 1.00 0.00 N ATOM 1156 CA VAL A 75 4.920 -1.271 3.088 1.00 0.00 C ATOM 1157 C VAL A 75 4.088 -0.800 4.283 1.00 0.00 C ATOM 1158 O VAL A 75 2.935 -1.201 4.438 1.00 0.00 O ATOM 1159 CB VAL A 75 5.245 -0.144 2.105 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.117 -0.654 0.956 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.966 0.507 1.575 1.00 0.00 C ATOM 0 H VAL A 75 3.267 -2.104 2.106 1.00 0.00 H new ATOM 0 HA VAL A 75 5.873 -1.631 3.476 1.00 0.00 H new ATOM 0 HB VAL A 75 5.810 0.617 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.334 0.166 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.051 -1.049 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.589 -1.443 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.225 1.305 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.363 -0.241 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.397 0.922 2.407 1.00 0.00 H new ATOM 1171 N SER A 76 4.704 0.045 5.096 1.00 0.00 N ATOM 1172 CA SER A 76 4.035 0.574 6.272 1.00 0.00 C ATOM 1173 C SER A 76 3.310 1.875 5.921 1.00 0.00 C ATOM 1174 O SER A 76 3.317 2.301 4.767 1.00 0.00 O ATOM 1175 CB SER A 76 5.028 0.811 7.412 1.00 0.00 C ATOM 1176 OG SER A 76 5.432 2.175 7.493 1.00 0.00 O ATOM 0 H SER A 76 5.659 0.377 4.964 1.00 0.00 H new ATOM 0 HA SER A 76 3.305 -0.162 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.574 0.511 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.905 0.181 7.265 1.00 0.00 H new ATOM 0 HG SER A 76 6.064 2.286 8.234 1.00 0.00 H new ATOM 1182 N GLU A 77 2.703 2.470 6.937 1.00 0.00 N ATOM 1183 CA GLU A 77 1.976 3.714 6.750 1.00 0.00 C ATOM 1184 C GLU A 77 2.952 4.877 6.565 1.00 0.00 C ATOM 1185 O GLU A 77 2.668 5.820 5.828 1.00 0.00 O ATOM 1186 CB GLU A 77 1.026 3.975 7.920 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.319 4.511 7.426 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.425 6.020 7.651 1.00 0.00 C ATOM 1189 OE1 GLU A 77 0.054 6.471 8.714 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.981 6.690 6.754 1.00 0.00 O ATOM 0 H GLU A 77 2.700 2.114 7.893 1.00 0.00 H new ATOM 0 HA GLU A 77 1.371 3.627 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.870 3.052 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.477 4.692 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.435 4.289 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.130 4.004 7.948 1.00 0.00 H new ATOM 1197 N ASP A 78 4.083 4.772 7.247 1.00 0.00 N ATOM 1198 CA ASP A 78 5.103 5.804 7.168 1.00 0.00 C ATOM 1199 C ASP A 78 5.372 6.137 5.699 1.00 0.00 C ATOM 1200 O ASP A 78 5.629 7.291 5.357 1.00 0.00 O ATOM 1201 CB ASP A 78 6.416 5.330 7.794 1.00 0.00 C ATOM 1202 CG ASP A 78 6.363 5.090 9.304 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.424 4.387 9.735 1.00 0.00 O ATOM 1204 OD2 ASP A 78 7.264 5.616 9.994 1.00 0.00 O ATOM 0 H ASP A 78 4.316 3.988 7.857 1.00 0.00 H new ATOM 0 HA ASP A 78 4.741 6.678 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.721 4.405 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.188 6.070 7.586 1.00 0.00 H new ATOM 1209 N PHE A 79 5.305 5.106 4.870 1.00 0.00 N ATOM 1210 CA PHE A 79 5.539 5.275 3.446 1.00 0.00 C ATOM 1211 C PHE A 79 4.798 6.501 2.910 1.00 0.00 C ATOM 1212 O PHE A 79 5.391 7.347 2.243 1.00 0.00 O ATOM 1213 CB PHE A 79 4.996 4.023 2.752 1.00 0.00 C ATOM 1214 CG PHE A 79 4.690 4.219 1.266 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.705 4.273 0.364 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.401 4.338 0.848 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.421 4.455 -1.016 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.116 4.519 -0.532 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.132 4.574 -1.434 1.00 0.00 C ATOM 0 H PHE A 79 5.092 4.151 5.157 1.00 0.00 H new ATOM 0 HA PHE A 79 6.603 5.416 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.722 3.217 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.086 3.704 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.728 4.178 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.594 4.295 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.228 4.499 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.093 4.613 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.915 4.712 -2.483 1.00 0.00 H new ATOM 1229 N LEU A 80 3.511 6.559 3.223 1.00 0.00 N ATOM 1230 CA LEU A 80 2.683 7.669 2.781 1.00 0.00 C ATOM 1231 C LEU A 80 3.298 8.983 3.266 1.00 0.00 C ATOM 1232 O LEU A 80 3.399 9.943 2.504 1.00 0.00 O ATOM 1233 CB LEU A 80 1.234 7.466 3.228 1.00 0.00 C ATOM 1234 CG LEU A 80 0.473 6.329 2.543 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.745 5.909 3.367 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.093 6.709 1.110 1.00 0.00 C ATOM 0 H LEU A 80 3.022 5.856 3.777 1.00 0.00 H new ATOM 0 HA LEU A 80 2.654 7.713 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.228 7.284 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.689 8.395 3.059 1.00 0.00 H new ATOM 0 HG LEU A 80 1.134 5.464 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.268 5.100 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.419 5.568 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.417 6.759 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.447 5.884 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.542 7.595 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.996 6.919 0.538 1.00 0.00 H new ATOM 1248 N GLN A 81 3.693 8.984 4.531 1.00 0.00 N ATOM 1249 CA GLN A 81 4.295 10.165 5.126 1.00 0.00 C ATOM 1250 C GLN A 81 5.528 10.592 4.327 1.00 0.00 C ATOM 1251 O GLN A 81 5.937 11.750 4.383 1.00 0.00 O ATOM 1252 CB GLN A 81 4.651 9.918 6.594 1.00 0.00 C ATOM 1253 CG GLN A 81 5.720 10.902 7.071 1.00 0.00 C ATOM 1254 CD GLN A 81 5.194 12.339 7.045 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.410 12.725 6.194 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.668 13.107 8.022 1.00 0.00 N ATOM 0 H GLN A 81 3.608 8.186 5.160 1.00 0.00 H new ATOM 0 HA GLN A 81 3.567 10.976 5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.758 10.019 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.010 8.896 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.032 10.643 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.602 10.822 6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.322 12.721 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.377 14.082 8.091 1.00 0.00 H new ATOM 1265 N ASP A 82 6.085 9.633 3.602 1.00 0.00 N ATOM 1266 CA ASP A 82 7.263 9.895 2.793 1.00 0.00 C ATOM 1267 C ASP A 82 6.831 10.224 1.362 1.00 0.00 C ATOM 1268 O ASP A 82 7.208 11.261 0.819 1.00 0.00 O ATOM 1269 CB ASP A 82 8.179 8.671 2.740 1.00 0.00 C ATOM 1270 CG ASP A 82 9.500 8.819 3.497 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.445 8.801 4.746 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.537 8.948 2.810 1.00 0.00 O ATOM 0 H ASP A 82 5.742 8.673 3.558 1.00 0.00 H new ATOM 0 HA ASP A 82 7.802 10.729 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.640 7.815 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.399 8.445 1.697 1.00 0.00 H new ATOM 1277 N VAL A 83 6.045 9.321 0.794 1.00 0.00 N ATOM 1278 CA VAL A 83 5.558 9.502 -0.563 1.00 0.00 C ATOM 1279 C VAL A 83 4.809 10.833 -0.658 1.00 0.00 C ATOM 1280 O VAL A 83 4.697 11.411 -1.738 1.00 0.00 O ATOM 1281 CB VAL A 83 4.701 8.303 -0.976 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.227 8.541 -0.639 1.00 0.00 C ATOM 1283 CG2 VAL A 83 4.880 7.987 -2.462 1.00 0.00 C ATOM 0 H VAL A 83 5.734 8.463 1.248 1.00 0.00 H new ATOM 0 HA VAL A 83 6.391 9.546 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 83 5.039 7.437 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.640 7.674 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.119 8.694 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.871 9.424 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.260 7.131 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.582 8.851 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.926 7.754 -2.661 1.00 0.00 H new ATOM 1293 N SER A 84 4.314 11.280 0.487 1.00 0.00 N ATOM 1294 CA SER A 84 3.579 12.532 0.547 1.00 0.00 C ATOM 1295 C SER A 84 4.536 13.687 0.850 1.00 0.00 C ATOM 1296 O SER A 84 4.211 14.848 0.605 1.00 0.00 O ATOM 1297 CB SER A 84 2.471 12.470 1.599 1.00 0.00 C ATOM 1298 OG SER A 84 1.493 13.489 1.406 1.00 0.00 O ATOM 0 H SER A 84 4.408 10.797 1.381 1.00 0.00 H new ATOM 0 HA SER A 84 3.112 12.701 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.989 11.493 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.908 12.571 2.592 1.00 0.00 H new ATOM 0 HG SER A 84 0.802 13.414 2.097 1.00 0.00 H new ATOM 1304 N ALA A 85 5.696 13.328 1.379 1.00 0.00 N ATOM 1305 CA ALA A 85 6.702 14.320 1.719 1.00 0.00 C ATOM 1306 C ALA A 85 8.094 13.739 1.459 1.00 0.00 C ATOM 1307 O ALA A 85 8.877 13.556 2.389 1.00 0.00 O ATOM 1308 CB ALA A 85 6.516 14.760 3.172 1.00 0.00 C ATOM 0 H ALA A 85 5.962 12.364 1.581 1.00 0.00 H new ATOM 0 HA ALA A 85 6.593 15.206 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.271 15.504 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.523 15.193 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.621 13.897 3.830 1.00 0.00 H new ATOM 1314 N SER A 86 8.358 13.464 0.190 1.00 0.00 N ATOM 1315 CA SER A 86 9.641 12.907 -0.203 1.00 0.00 C ATOM 1316 C SER A 86 9.954 13.287 -1.652 1.00 0.00 C ATOM 1317 O SER A 86 9.062 13.306 -2.499 1.00 0.00 O ATOM 1318 CB SER A 86 9.655 11.386 -0.038 1.00 0.00 C ATOM 1319 OG SER A 86 10.915 10.822 -0.392 1.00 0.00 O ATOM 0 H SER A 86 7.705 13.617 -0.579 1.00 0.00 H new ATOM 0 HA SER A 86 10.409 13.323 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.421 11.131 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.874 10.947 -0.659 1.00 0.00 H new ATOM 0 HG SER A 86 11.433 10.644 0.420 1.00 0.00 H new ATOM 1325 N THR A 87 11.224 13.579 -1.892 1.00 0.00 N ATOM 1326 CA THR A 87 11.666 13.957 -3.224 1.00 0.00 C ATOM 1327 C THR A 87 12.542 12.857 -3.827 1.00 0.00 C ATOM 1328 O THR A 87 13.595 13.140 -4.395 1.00 0.00 O ATOM 1329 CB THR A 87 12.373 15.310 -3.121 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.438 15.075 -2.204 1.00 0.00 O ATOM 1331 CG2 THR A 87 11.513 16.369 -2.430 1.00 0.00 C ATOM 0 H THR A 87 11.961 13.562 -1.187 1.00 0.00 H new ATOM 0 HA THR A 87 10.822 14.066 -3.905 1.00 0.00 H new ATOM 0 HB THR A 87 12.642 15.656 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.951 15.901 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.062 17.310 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.592 16.514 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.272 16.039 -1.420 1.00 0.00 H new ATOM 1339 N LYS A 88 12.073 11.626 -3.683 1.00 0.00 N ATOM 1340 CA LYS A 88 12.801 10.483 -4.207 1.00 0.00 C ATOM 1341 C LYS A 88 11.855 9.624 -5.049 1.00 0.00 C ATOM 1342 O LYS A 88 10.779 10.077 -5.436 1.00 0.00 O ATOM 1343 CB LYS A 88 13.482 9.716 -3.072 1.00 0.00 C ATOM 1344 CG LYS A 88 14.468 10.612 -2.319 1.00 0.00 C ATOM 1345 CD LYS A 88 15.594 9.785 -1.695 1.00 0.00 C ATOM 1346 CE LYS A 88 16.277 8.908 -2.746 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.403 9.637 -4.027 1.00 0.00 N ATOM 0 H LYS A 88 11.198 11.395 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 88 13.605 10.812 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.729 9.337 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.007 8.851 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.889 11.350 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.942 11.163 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.328 10.449 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.192 9.158 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.264 8.609 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.701 7.995 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.208 9.257 -4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.530 9.520 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.560 10.647 -3.837 1.00 0.00 H new ATOM 1361 N SER A 89 12.290 8.399 -5.306 1.00 0.00 N ATOM 1362 CA SER A 89 11.496 7.473 -6.095 1.00 0.00 C ATOM 1363 C SER A 89 10.691 6.556 -5.171 1.00 0.00 C ATOM 1364 O SER A 89 11.010 6.424 -3.991 1.00 0.00 O ATOM 1365 CB SER A 89 12.381 6.643 -7.027 1.00 0.00 C ATOM 1366 OG SER A 89 12.299 5.250 -6.740 1.00 0.00 O ATOM 0 H SER A 89 13.182 8.026 -4.982 1.00 0.00 H new ATOM 0 HA SER A 89 10.809 8.052 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.083 6.818 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.416 6.972 -6.933 1.00 0.00 H new ATOM 0 HG SER A 89 13.081 4.793 -7.113 1.00 0.00 H new ATOM 1372 N LEU A 90 9.664 5.947 -5.744 1.00 0.00 N ATOM 1373 CA LEU A 90 8.811 5.046 -4.987 1.00 0.00 C ATOM 1374 C LEU A 90 9.651 3.884 -4.453 1.00 0.00 C ATOM 1375 O LEU A 90 9.557 3.534 -3.278 1.00 0.00 O ATOM 1376 CB LEU A 90 7.615 4.603 -5.832 1.00 0.00 C ATOM 1377 CG LEU A 90 6.368 5.486 -5.745 1.00 0.00 C ATOM 1378 CD1 LEU A 90 5.616 5.245 -4.435 1.00 0.00 C ATOM 1379 CD2 LEU A 90 6.727 6.961 -5.936 1.00 0.00 C ATOM 0 H LEU A 90 9.403 6.059 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 90 8.388 5.558 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.930 4.555 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.341 3.591 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 90 5.696 5.210 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.734 5.885 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.309 4.201 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.268 5.478 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.823 7.567 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.428 7.268 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.186 7.100 -6.915 1.00 0.00 H new ATOM 1391 N GLN A 91 10.453 3.317 -5.343 1.00 0.00 N ATOM 1392 CA GLN A 91 11.308 2.202 -4.977 1.00 0.00 C ATOM 1393 C GLN A 91 11.993 2.476 -3.636 1.00 0.00 C ATOM 1394 O GLN A 91 11.808 1.729 -2.676 1.00 0.00 O ATOM 1395 CB GLN A 91 12.339 1.919 -6.071 1.00 0.00 C ATOM 1396 CG GLN A 91 11.999 0.632 -6.825 1.00 0.00 C ATOM 1397 CD GLN A 91 10.863 0.864 -7.822 1.00 0.00 C ATOM 1398 OE1 GLN A 91 10.751 1.909 -8.443 1.00 0.00 O ATOM 1399 NE2 GLN A 91 10.029 -0.165 -7.942 1.00 0.00 N ATOM 0 H GLN A 91 10.528 3.610 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 91 10.686 1.313 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.373 2.756 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.331 1.834 -5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.882 0.271 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.712 -0.144 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.180 -1.011 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.238 -0.108 -8.584 1.00 0.00 H new ATOM 1408 N GLU A 92 12.769 3.550 -3.613 1.00 0.00 N ATOM 1409 CA GLU A 92 13.482 3.932 -2.406 1.00 0.00 C ATOM 1410 C GLU A 92 12.512 4.035 -1.227 1.00 0.00 C ATOM 1411 O GLU A 92 12.835 3.620 -0.115 1.00 0.00 O ATOM 1412 CB GLU A 92 14.238 5.246 -2.609 1.00 0.00 C ATOM 1413 CG GLU A 92 13.550 6.395 -1.870 1.00 0.00 C ATOM 1414 CD GLU A 92 13.788 6.297 -0.361 1.00 0.00 C ATOM 1415 OE1 GLU A 92 14.975 6.319 0.029 1.00 0.00 O ATOM 1416 OE2 GLU A 92 12.776 6.203 0.367 1.00 0.00 O ATOM 0 H GLU A 92 12.919 4.167 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 92 14.217 3.159 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.262 5.140 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.295 5.476 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.928 7.348 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.480 6.375 -2.075 1.00 0.00 H new ATOM 1423 N LEU A 93 11.343 4.590 -1.510 1.00 0.00 N ATOM 1424 CA LEU A 93 10.324 4.752 -0.486 1.00 0.00 C ATOM 1425 C LEU A 93 9.815 3.374 -0.057 1.00 0.00 C ATOM 1426 O LEU A 93 9.626 3.121 1.132 1.00 0.00 O ATOM 1427 CB LEU A 93 9.219 5.691 -0.974 1.00 0.00 C ATOM 1428 CG LEU A 93 9.641 7.136 -1.252 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.445 7.981 -1.694 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.354 7.741 -0.041 1.00 0.00 C ATOM 0 H LEU A 93 11.078 4.933 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 93 10.746 5.227 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.794 5.275 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.424 5.703 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 93 10.354 7.131 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.772 9.003 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.019 7.560 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.690 7.983 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.643 8.768 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.683 7.732 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.244 7.155 0.187 1.00 0.00 H new ATOM 1442 N PHE A 94 9.607 2.520 -1.048 1.00 0.00 N ATOM 1443 CA PHE A 94 9.123 1.175 -0.788 1.00 0.00 C ATOM 1444 C PHE A 94 10.109 0.397 0.085 1.00 0.00 C ATOM 1445 O PHE A 94 9.731 -0.149 1.120 1.00 0.00 O ATOM 1446 CB PHE A 94 8.997 0.475 -2.143 1.00 0.00 C ATOM 1447 CG PHE A 94 7.878 1.029 -3.028 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.969 1.898 -2.510 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.793 0.651 -4.332 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.931 2.412 -3.332 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.755 1.165 -5.153 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.846 2.034 -4.636 1.00 0.00 C ATOM 0 H PHE A 94 9.765 2.733 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 94 8.169 1.218 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.944 0.563 -2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.822 -0.588 -1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.036 2.197 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.515 -0.040 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.209 3.103 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.687 0.866 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.056 2.424 -5.261 1.00 0.00 H new ATOM 1462 N LEU A 95 11.356 0.371 -0.365 1.00 0.00 N ATOM 1463 CA LEU A 95 12.399 -0.331 0.363 1.00 0.00 C ATOM 1464 C LEU A 95 12.665 0.389 1.687 1.00 0.00 C ATOM 1465 O LEU A 95 13.066 -0.236 2.667 1.00 0.00 O ATOM 1466 CB LEU A 95 13.645 -0.492 -0.510 1.00 0.00 C ATOM 1467 CG LEU A 95 13.734 -1.787 -1.320 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.421 -1.547 -2.665 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.423 -2.891 -0.514 1.00 0.00 C ATOM 0 H LEU A 95 11.667 0.825 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 95 12.077 -1.343 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.691 0.349 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.524 -0.427 0.131 1.00 0.00 H new ATOM 0 HG LEU A 95 12.720 -2.127 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.471 -2.484 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.852 -0.815 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.430 -1.171 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.474 -3.801 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.432 -2.573 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.855 -3.086 0.396 1.00 0.00 H new ATOM 1481 N ALA A 96 12.431 1.693 1.672 1.00 0.00 N ATOM 1482 CA ALA A 96 12.639 2.504 2.859 1.00 0.00 C ATOM 1483 C ALA A 96 11.463 2.309 3.818 1.00 0.00 C ATOM 1484 O ALA A 96 11.429 2.905 4.894 1.00 0.00 O ATOM 1485 CB ALA A 96 12.824 3.967 2.452 1.00 0.00 C ATOM 0 H ALA A 96 12.099 2.208 0.856 1.00 0.00 H new ATOM 0 HA ALA A 96 13.544 2.194 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.980 4.576 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.690 4.055 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.934 4.314 1.927 1.00 0.00 H new ATOM 1491 N HIS A 97 10.528 1.473 3.394 1.00 0.00 N ATOM 1492 CA HIS A 97 9.353 1.192 4.202 1.00 0.00 C ATOM 1493 C HIS A 97 8.746 -0.146 3.776 1.00 0.00 C ATOM 1494 O HIS A 97 7.526 -0.310 3.785 1.00 0.00 O ATOM 1495 CB HIS A 97 8.353 2.347 4.126 1.00 0.00 C ATOM 1496 CG HIS A 97 8.908 3.671 4.594 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.092 3.977 5.931 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.318 4.765 3.890 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.590 5.202 6.016 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.728 5.689 4.750 1.00 0.00 N ATOM 0 H HIS A 97 10.560 0.981 2.501 1.00 0.00 H new ATOM 0 HA HIS A 97 9.640 1.105 5.250 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.012 2.451 3.096 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.479 2.098 4.728 1.00 0.00 H new ATOM 0 HD1 HIS A 97 8.880 3.363 6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.310 4.863 2.814 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.842 5.723 6.928 1.00 0.00 H new ATOM 1508 N ILE A 98 9.624 -1.070 3.414 1.00 0.00 N ATOM 1509 CA ILE A 98 9.190 -2.389 2.986 1.00 0.00 C ATOM 1510 C ILE A 98 8.993 -3.280 4.215 1.00 0.00 C ATOM 1511 O ILE A 98 9.921 -3.478 4.997 1.00 0.00 O ATOM 1512 CB ILE A 98 10.164 -2.966 1.958 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.565 -4.190 1.262 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.518 -3.276 2.599 1.00 0.00 C ATOM 1515 CD1 ILE A 98 9.209 -3.875 -0.192 1.00 0.00 C ATOM 0 H ILE A 98 10.634 -0.931 3.408 1.00 0.00 H new ATOM 0 HA ILE A 98 8.227 -2.327 2.479 1.00 0.00 H new ATOM 0 HB ILE A 98 10.337 -2.212 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.276 -5.016 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.673 -4.516 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.192 -3.685 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.945 -2.361 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.384 -4.004 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.785 -4.762 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.480 -3.065 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.108 -3.573 -0.729 1.00 0.00 H new ATOM 1527 N LEU A 99 7.778 -3.793 4.346 1.00 0.00 N ATOM 1528 CA LEU A 99 7.448 -4.658 5.465 1.00 0.00 C ATOM 1529 C LEU A 99 7.592 -6.119 5.035 1.00 0.00 C ATOM 1530 O LEU A 99 7.857 -6.990 5.862 1.00 0.00 O ATOM 1531 CB LEU A 99 6.064 -4.313 6.019 1.00 0.00 C ATOM 1532 CG LEU A 99 5.940 -2.959 6.721 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.591 -2.831 7.430 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.114 -2.728 7.675 1.00 0.00 C ATOM 0 H LEU A 99 7.011 -3.626 3.695 1.00 0.00 H new ATOM 0 HA LEU A 99 8.144 -4.498 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.349 -4.340 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.772 -5.093 6.722 1.00 0.00 H new ATOM 0 HG LEU A 99 5.981 -2.176 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.529 -1.860 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.786 -2.921 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.495 -3.621 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.002 -1.759 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.129 -3.514 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.048 -2.747 7.114 1.00 0.00 H new ATOM 1546 N SER A 100 7.411 -6.342 3.742 1.00 0.00 N ATOM 1547 CA SER A 100 7.517 -7.683 3.192 1.00 0.00 C ATOM 1548 C SER A 100 8.852 -7.845 2.462 1.00 0.00 C ATOM 1549 O SER A 100 9.556 -6.865 2.224 1.00 0.00 O ATOM 1550 CB SER A 100 6.354 -7.984 2.245 1.00 0.00 C ATOM 1551 OG SER A 100 6.422 -7.206 1.053 1.00 0.00 O ATOM 0 H SER A 100 7.192 -5.617 3.059 1.00 0.00 H new ATOM 0 HA SER A 100 7.472 -8.395 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.361 -9.043 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.411 -7.786 2.754 1.00 0.00 H new ATOM 0 HG SER A 100 5.882 -7.630 0.354 1.00 0.00 H new ATOM 1557 N SER A 101 9.160 -9.089 2.128 1.00 0.00 N ATOM 1558 CA SER A 101 10.398 -9.392 1.430 1.00 0.00 C ATOM 1559 C SER A 101 10.125 -9.579 -0.064 1.00 0.00 C ATOM 1560 O SER A 101 11.054 -9.612 -0.869 1.00 0.00 O ATOM 1561 CB SER A 101 11.065 -10.642 2.008 1.00 0.00 C ATOM 1562 OG SER A 101 12.416 -10.397 2.391 1.00 0.00 O ATOM 0 H SER A 101 8.574 -9.899 2.328 1.00 0.00 H new ATOM 0 HA SER A 101 11.081 -8.553 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.500 -10.987 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.037 -11.443 1.269 1.00 0.00 H new ATOM 0 HG SER A 101 12.806 -11.218 2.757 1.00 0.00 H new ATOM 1568 N TRP A 102 8.846 -9.697 -0.388 1.00 0.00 N ATOM 1569 CA TRP A 102 8.438 -9.880 -1.771 1.00 0.00 C ATOM 1570 C TRP A 102 7.975 -8.526 -2.310 1.00 0.00 C ATOM 1571 O TRP A 102 8.199 -7.493 -1.681 1.00 0.00 O ATOM 1572 CB TRP A 102 7.368 -10.968 -1.887 1.00 0.00 C ATOM 1573 CG TRP A 102 5.968 -10.510 -1.475 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.053 -9.878 -2.222 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.356 -10.676 -0.178 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.901 -9.625 -1.505 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.092 -10.126 -0.222 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.856 -11.271 0.994 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.221 -10.116 0.874 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 4.973 -11.253 2.081 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.697 -10.704 2.052 1.00 0.00 C ATOM 0 H TRP A 102 8.078 -9.669 0.283 1.00 0.00 H new ATOM 0 HA TRP A 102 9.274 -10.228 -2.377 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.335 -11.322 -2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.659 -11.817 -1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.198 -9.601 -3.256 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.064 -9.157 -1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.842 -11.707 1.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.235 -9.678 0.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.307 -11.697 3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.075 -10.731 2.934 1.00 0.00 H new ATOM 1592 N GLY A 103 7.337 -8.574 -3.471 1.00 0.00 N ATOM 1593 CA GLY A 103 6.840 -7.363 -4.102 1.00 0.00 C ATOM 1594 C GLY A 103 7.757 -6.926 -5.247 1.00 0.00 C ATOM 1595 O GLY A 103 8.299 -5.823 -5.226 1.00 0.00 O ATOM 0 H GLY A 103 7.153 -9.432 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.833 -7.534 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.770 -6.565 -3.362 1.00 0.00 H new ATOM 1599 N ALA A 104 7.900 -7.815 -6.219 1.00 0.00 N ATOM 1600 CA ALA A 104 8.742 -7.535 -7.370 1.00 0.00 C ATOM 1601 C ALA A 104 8.126 -8.178 -8.615 1.00 0.00 C ATOM 1602 O ALA A 104 7.003 -8.678 -8.568 1.00 0.00 O ATOM 1603 CB ALA A 104 10.162 -8.035 -7.099 1.00 0.00 C ATOM 0 H ALA A 104 7.447 -8.729 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 104 8.803 -6.461 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.793 -7.825 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.565 -7.527 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.141 -9.110 -6.918 1.00 0.00 H new ATOM 1609 N GLU A 105 8.888 -8.144 -9.698 1.00 0.00 N ATOM 1610 CA GLU A 105 8.431 -8.717 -10.953 1.00 0.00 C ATOM 1611 C GLU A 105 7.866 -10.120 -10.721 1.00 0.00 C ATOM 1612 O GLU A 105 8.539 -10.978 -10.151 1.00 0.00 O ATOM 1613 CB GLU A 105 9.559 -8.744 -11.986 1.00 0.00 C ATOM 1614 CG GLU A 105 10.805 -9.430 -11.421 1.00 0.00 C ATOM 1615 CD GLU A 105 12.061 -8.601 -11.698 1.00 0.00 C ATOM 1616 OE1 GLU A 105 12.284 -7.636 -10.936 1.00 0.00 O ATOM 1617 OE2 GLU A 105 12.769 -8.952 -12.667 1.00 0.00 O ATOM 0 H GLU A 105 9.819 -7.729 -9.733 1.00 0.00 H new ATOM 0 HA GLU A 105 7.635 -8.087 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.225 -9.269 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.805 -7.726 -12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.690 -9.574 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.913 -10.419 -11.865 1.00 0.00 H new ATOM 1624 N VAL A 106 6.636 -10.310 -11.175 1.00 0.00 N ATOM 1625 CA VAL A 106 5.973 -11.594 -11.024 1.00 0.00 C ATOM 1626 C VAL A 106 6.492 -12.560 -12.092 1.00 0.00 C ATOM 1627 O VAL A 106 7.161 -12.145 -13.036 1.00 0.00 O ATOM 1628 CB VAL A 106 4.455 -11.408 -11.073 1.00 0.00 C ATOM 1629 CG1 VAL A 106 4.008 -10.295 -10.123 1.00 0.00 C ATOM 1630 CG2 VAL A 106 3.982 -11.133 -12.502 1.00 0.00 C ATOM 0 H VAL A 106 6.081 -9.596 -11.647 1.00 0.00 H new ATOM 0 HA VAL A 106 6.202 -12.030 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 106 3.993 -12.337 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.925 -10.183 -10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.296 -10.550 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.484 -9.358 -10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.900 -11.005 -12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.457 -10.225 -12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.252 -11.973 -13.142 1.00 0.00 H new ATOM 1640 N LYS A 107 6.162 -13.829 -11.906 1.00 0.00 N ATOM 1641 CA LYS A 107 6.587 -14.857 -12.841 1.00 0.00 C ATOM 1642 C LYS A 107 5.871 -14.651 -14.178 1.00 0.00 C ATOM 1643 O LYS A 107 4.643 -14.633 -14.232 1.00 0.00 O ATOM 1644 CB LYS A 107 6.377 -16.248 -12.240 1.00 0.00 C ATOM 1645 CG LYS A 107 4.951 -16.407 -11.709 1.00 0.00 C ATOM 1646 CD LYS A 107 4.940 -16.490 -10.182 1.00 0.00 C ATOM 1647 CE LYS A 107 3.779 -17.355 -9.687 1.00 0.00 C ATOM 1648 NZ LYS A 107 4.192 -18.773 -9.595 1.00 0.00 N ATOM 0 H LYS A 107 5.605 -14.169 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 107 7.657 -14.777 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.574 -17.008 -12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.090 -16.410 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.342 -15.564 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.501 -17.307 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.884 -16.907 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.857 -15.488 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.446 -17.003 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.932 -17.260 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.393 -19.346 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.488 -19.110 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.986 -18.861 -8.929 1.00 0.00 H new ATOM 1662 N SER A 108 6.671 -14.500 -15.223 1.00 0.00 N ATOM 1663 CA SER A 108 6.130 -14.295 -16.556 1.00 0.00 C ATOM 1664 C SER A 108 5.121 -13.145 -16.540 1.00 0.00 C ATOM 1665 O SER A 108 3.916 -13.374 -16.444 1.00 0.00 O ATOM 1666 CB SER A 108 5.473 -15.571 -17.086 1.00 0.00 C ATOM 1667 OG SER A 108 4.795 -15.350 -18.320 1.00 0.00 O ATOM 0 H SER A 108 7.690 -14.515 -15.174 1.00 0.00 H new ATOM 0 HA SER A 108 6.953 -14.038 -17.223 1.00 0.00 H new ATOM 0 HB2 SER A 108 6.233 -16.340 -17.223 1.00 0.00 H new ATOM 0 HB3 SER A 108 4.767 -15.949 -16.347 1.00 0.00 H new ATOM 0 HG SER A 108 4.390 -16.189 -18.626 1.00 0.00 H new ATOM 1673 N GLY A 109 5.649 -11.935 -16.637 1.00 0.00 N ATOM 1674 CA GLY A 109 4.809 -10.749 -16.635 1.00 0.00 C ATOM 1675 C GLY A 109 3.563 -10.958 -17.497 1.00 0.00 C ATOM 1676 O GLY A 109 3.665 -11.128 -18.711 1.00 0.00 O ATOM 0 H GLY A 109 6.649 -11.749 -16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 109 4.513 -10.511 -15.613 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.376 -9.897 -17.010 1.00 0.00 H new ATOM 1680 N PRO A 110 2.385 -10.939 -16.818 1.00 0.00 N ATOM 1681 CA PRO A 110 1.120 -11.124 -17.509 1.00 0.00 C ATOM 1682 C PRO A 110 0.731 -9.867 -18.289 1.00 0.00 C ATOM 1683 O PRO A 110 1.498 -8.906 -18.347 1.00 0.00 O ATOM 1684 CB PRO A 110 0.123 -11.477 -16.417 1.00 0.00 C ATOM 1685 CG PRO A 110 0.757 -11.023 -15.112 1.00 0.00 C ATOM 1686 CD PRO A 110 2.226 -10.740 -15.381 1.00 0.00 C ATOM 0 HA PRO A 110 1.164 -11.912 -18.261 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.831 -10.977 -16.583 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.077 -12.548 -16.402 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.259 -10.129 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.650 -11.793 -14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 110 2.493 -9.724 -15.090 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.869 -11.413 -14.814 1.00 0.00 H new ATOM 1694 N SER A 111 -0.459 -9.913 -18.870 1.00 0.00 N ATOM 1695 CA SER A 111 -0.958 -8.789 -19.644 1.00 0.00 C ATOM 1696 C SER A 111 -1.358 -7.646 -18.709 1.00 0.00 C ATOM 1697 O SER A 111 -1.463 -7.838 -17.498 1.00 0.00 O ATOM 1698 CB SER A 111 -2.147 -9.204 -20.513 1.00 0.00 C ATOM 1699 OG SER A 111 -1.977 -8.812 -21.872 1.00 0.00 O ATOM 0 H SER A 111 -1.092 -10.711 -18.820 1.00 0.00 H new ATOM 0 HA SER A 111 -0.161 -8.448 -20.304 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.274 -10.285 -20.461 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.059 -8.756 -20.118 1.00 0.00 H new ATOM 0 HG SER A 111 -2.756 -9.096 -22.394 1.00 0.00 H new ATOM 1705 N SER A 112 -1.571 -6.483 -19.305 1.00 0.00 N ATOM 1706 CA SER A 112 -1.957 -5.309 -18.541 1.00 0.00 C ATOM 1707 C SER A 112 -0.840 -4.929 -17.567 1.00 0.00 C ATOM 1708 O SER A 112 -0.336 -5.777 -16.833 1.00 0.00 O ATOM 1709 CB SER A 112 -3.263 -5.551 -17.783 1.00 0.00 C ATOM 1710 OG SER A 112 -4.406 -5.264 -18.584 1.00 0.00 O ATOM 0 H SER A 112 -1.484 -6.328 -20.309 1.00 0.00 H new ATOM 0 HA SER A 112 -2.120 -4.486 -19.237 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.303 -6.589 -17.452 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.283 -4.930 -16.887 1.00 0.00 H new ATOM 0 HG SER A 112 -5.220 -5.433 -18.065 1.00 0.00 H new ATOM 1716 N GLY A 113 -0.487 -3.652 -17.590 1.00 0.00 N ATOM 1717 CA GLY A 113 0.560 -3.149 -16.718 1.00 0.00 C ATOM 1718 C GLY A 113 0.014 -2.851 -15.320 1.00 0.00 C ATOM 1719 O GLY A 113 -1.189 -2.953 -15.085 1.00 0.00 O ATOM 0 H GLY A 113 -0.908 -2.951 -18.199 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.364 -3.882 -16.650 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.990 -2.243 -17.145 1.00 0.00 H new TER 1723 GLY A 113