USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 925 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 75 THR OG1 : rot -134:sc=-0.00288 USER MOD Set 1.2: A 76 HIS : no HD1:sc= 0.291 K(o=0.29,f=-0.64) USER MOD Set 2.1: A 40 HIS : no HE2:sc= -9.37! C(o=-13!,f=-17!) USER MOD Set 2.2: A 60 MET CE :methyl -151:sc= -3.15 (180deg=-3.25!) 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 8 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.015) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.842 K(o=-0.84,f=-1.9) USER MOD Single : A 13 SER OG : rot -60:sc= 1.12 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.366 K(o=-0.37,f=-2.7!) USER MOD Single : A 21 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.1) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0582 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0813 USER MOD Single : A 26 GLN : amide:sc= -3.24! C(o=-3.2!,f=-8.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -66:sc= 0.893 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.186 F(o=-1.2,f=-0.19) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0783 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 70 MET CE :methyl -131:sc= -3.08! (180deg=-5.57!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0485 K(o=0.048,f=-3.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 61:sc= 0.748 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot -150:sc= -2.7 USER MOD Single : A 96 ASN : amide:sc= -1.94 K(o=-1.9,f=-7.5!) USER MOD Single : A 98 SER OG : rot -150:sc= -1.04 USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= 0.692 (180deg=0.132) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.438 K(o=-0.44,f=-2.1) USER MOD Single : A 119 SER OG : rot 50:sc= 1.04 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.033 -29.674 -7.924 1.00 0.00 N ATOM 2 CA GLY A 1 13.466 -29.281 -6.594 1.00 0.00 C ATOM 3 C GLY A 1 12.537 -28.216 -6.007 1.00 0.00 C ATOM 4 O GLY A 1 12.384 -27.138 -6.580 1.00 0.00 O ATOM 0 H1 GLY A 1 13.679 -30.397 -8.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.070 -30.063 -7.875 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.040 -28.844 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.483 -30.153 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.485 -28.896 -6.638 1.00 0.00 H new ATOM 8 N SER A 2 11.941 -28.555 -4.874 1.00 0.00 N ATOM 9 CA SER A 2 11.032 -27.641 -4.204 1.00 0.00 C ATOM 10 C SER A 2 11.794 -26.406 -3.719 1.00 0.00 C ATOM 11 O SER A 2 12.929 -26.514 -3.256 1.00 0.00 O ATOM 12 CB SER A 2 10.329 -28.325 -3.030 1.00 0.00 C ATOM 13 OG SER A 2 9.425 -27.447 -2.363 1.00 0.00 O ATOM 0 H SER A 2 12.070 -29.450 -4.403 1.00 0.00 H new ATOM 0 HA SER A 2 10.270 -27.332 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.786 -29.198 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.075 -28.685 -2.321 1.00 0.00 H new ATOM 0 HG SER A 2 8.995 -27.922 -1.621 1.00 0.00 H new ATOM 19 N SER A 3 11.140 -25.260 -3.842 1.00 0.00 N ATOM 20 CA SER A 3 11.742 -24.006 -3.422 1.00 0.00 C ATOM 21 C SER A 3 12.050 -24.049 -1.924 1.00 0.00 C ATOM 22 O SER A 3 13.199 -23.883 -1.518 1.00 0.00 O ATOM 23 CB SER A 3 10.828 -22.822 -3.743 1.00 0.00 C ATOM 24 OG SER A 3 11.561 -21.693 -4.212 1.00 0.00 O ATOM 0 H SER A 3 10.199 -25.174 -4.227 1.00 0.00 H new ATOM 0 HA SER A 3 12.673 -23.871 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.100 -23.120 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.267 -22.545 -2.851 1.00 0.00 H new ATOM 0 HG SER A 3 10.942 -20.959 -4.407 1.00 0.00 H new ATOM 30 N GLY A 4 11.002 -24.272 -1.144 1.00 0.00 N ATOM 31 CA GLY A 4 11.146 -24.338 0.300 1.00 0.00 C ATOM 32 C GLY A 4 10.558 -23.093 0.968 1.00 0.00 C ATOM 33 O GLY A 4 11.295 -22.207 1.396 1.00 0.00 O ATOM 0 H GLY A 4 10.050 -24.409 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.645 -25.229 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.200 -24.431 0.560 1.00 0.00 H new ATOM 37 N SER A 5 9.235 -23.066 1.035 1.00 0.00 N ATOM 38 CA SER A 5 8.539 -21.944 1.643 1.00 0.00 C ATOM 39 C SER A 5 9.214 -20.631 1.242 1.00 0.00 C ATOM 40 O SER A 5 10.129 -20.167 1.920 1.00 0.00 O ATOM 41 CB SER A 5 8.503 -22.079 3.167 1.00 0.00 C ATOM 42 OG SER A 5 7.301 -22.695 3.620 1.00 0.00 O ATOM 0 H SER A 5 8.626 -23.803 0.678 1.00 0.00 H new ATOM 0 HA SER A 5 7.511 -21.942 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.359 -22.666 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.598 -21.092 3.621 1.00 0.00 H new ATOM 0 HG SER A 5 7.317 -22.765 4.597 1.00 0.00 H new ATOM 48 N SER A 6 8.735 -20.069 0.142 1.00 0.00 N ATOM 49 CA SER A 6 9.280 -18.818 -0.358 1.00 0.00 C ATOM 50 C SER A 6 8.247 -18.111 -1.237 1.00 0.00 C ATOM 51 O SER A 6 7.766 -18.681 -2.215 1.00 0.00 O ATOM 52 CB SER A 6 10.572 -19.055 -1.143 1.00 0.00 C ATOM 53 OG SER A 6 11.431 -17.918 -1.113 1.00 0.00 O ATOM 0 H SER A 6 7.975 -20.457 -0.417 1.00 0.00 H new ATOM 0 HA SER A 6 9.517 -18.183 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.096 -19.916 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.328 -19.298 -2.177 1.00 0.00 H new ATOM 0 HG SER A 6 12.245 -18.110 -1.624 1.00 0.00 H new ATOM 59 N GLY A 7 7.937 -16.881 -0.857 1.00 0.00 N ATOM 60 CA GLY A 7 6.969 -16.090 -1.599 1.00 0.00 C ATOM 61 C GLY A 7 5.579 -16.727 -1.539 1.00 0.00 C ATOM 62 O GLY A 7 5.436 -17.874 -1.119 1.00 0.00 O ATOM 0 H GLY A 7 8.339 -16.412 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.928 -15.081 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.287 -16.000 -2.638 1.00 0.00 H new ATOM 66 N GLN A 8 4.591 -15.954 -1.965 1.00 0.00 N ATOM 67 CA GLN A 8 3.217 -16.428 -1.965 1.00 0.00 C ATOM 68 C GLN A 8 2.568 -16.173 -3.327 1.00 0.00 C ATOM 69 O GLN A 8 2.108 -17.105 -3.984 1.00 0.00 O ATOM 70 CB GLN A 8 2.411 -15.774 -0.842 1.00 0.00 C ATOM 71 CG GLN A 8 2.506 -16.591 0.448 1.00 0.00 C ATOM 72 CD GLN A 8 3.503 -15.962 1.424 1.00 0.00 C ATOM 73 OE1 GLN A 8 3.326 -14.855 1.906 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.559 -16.727 1.686 1.00 0.00 N ATOM 0 H GLN A 8 4.714 -15.003 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 8 3.224 -17.503 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.780 -14.764 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.367 -15.684 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.524 -16.654 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.814 -17.610 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.645 -17.644 1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.282 -16.396 2.325 1.00 0.00 H new ATOM 83 N LYS A 9 2.551 -14.905 -3.710 1.00 0.00 N ATOM 84 CA LYS A 9 1.965 -14.515 -4.981 1.00 0.00 C ATOM 85 C LYS A 9 2.295 -13.047 -5.261 1.00 0.00 C ATOM 86 O LYS A 9 2.955 -12.733 -6.250 1.00 0.00 O ATOM 87 CB LYS A 9 0.467 -14.822 -4.998 1.00 0.00 C ATOM 88 CG LYS A 9 0.103 -15.715 -6.186 1.00 0.00 C ATOM 89 CD LYS A 9 -1.282 -16.337 -6.000 1.00 0.00 C ATOM 90 CE LYS A 9 -1.186 -17.683 -5.278 1.00 0.00 C ATOM 91 NZ LYS A 9 -2.536 -18.185 -4.935 1.00 0.00 N ATOM 0 H LYS A 9 2.934 -14.134 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 9 2.396 -15.100 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.183 -15.314 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.098 -13.891 -5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.122 -15.129 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.848 -16.503 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.916 -15.658 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.756 -16.474 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.673 -18.406 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.591 -17.574 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.453 -19.099 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.013 -17.501 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.092 -18.308 -5.805 1.00 0.00 H new ATOM 105 N ASN A 10 1.820 -12.187 -4.372 1.00 0.00 N ATOM 106 CA ASN A 10 2.057 -10.760 -4.510 1.00 0.00 C ATOM 107 C ASN A 10 2.330 -10.156 -3.131 1.00 0.00 C ATOM 108 O ASN A 10 1.583 -10.400 -2.184 1.00 0.00 O ATOM 109 CB ASN A 10 0.835 -10.055 -5.102 1.00 0.00 C ATOM 110 CG ASN A 10 -0.312 -10.003 -4.090 1.00 0.00 C ATOM 111 OD1 ASN A 10 -0.379 -9.137 -3.233 1.00 0.00 O ATOM 112 ND2 ASN A 10 -1.207 -10.975 -4.237 1.00 0.00 N ATOM 0 H ASN A 10 1.272 -12.451 -3.553 1.00 0.00 H new ATOM 0 HA ASN A 10 2.910 -10.622 -5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.105 -9.043 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.508 -10.579 -6.001 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.010 -11.027 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.090 -11.668 -4.976 1.00 0.00 H new ATOM 119 N PRO A 11 3.430 -9.360 -3.060 1.00 0.00 N ATOM 120 CA PRO A 11 3.811 -8.719 -1.813 1.00 0.00 C ATOM 121 C PRO A 11 2.891 -7.537 -1.501 1.00 0.00 C ATOM 122 O PRO A 11 2.403 -7.404 -0.380 1.00 0.00 O ATOM 123 CB PRO A 11 5.261 -8.309 -2.008 1.00 0.00 C ATOM 124 CG PRO A 11 5.497 -8.315 -3.510 1.00 0.00 C ATOM 125 CD PRO A 11 4.337 -9.049 -4.161 1.00 0.00 C ATOM 0 HA PRO A 11 3.711 -9.380 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.448 -7.321 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.934 -9.002 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.565 -7.296 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.441 -8.807 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.849 -8.430 -4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.674 -9.955 -4.664 1.00 0.00 H new ATOM 133 N ASP A 12 2.684 -6.707 -2.513 1.00 0.00 N ATOM 134 CA ASP A 12 1.832 -5.540 -2.360 1.00 0.00 C ATOM 135 C ASP A 12 1.797 -4.764 -3.679 1.00 0.00 C ATOM 136 O ASP A 12 2.627 -4.989 -4.558 1.00 0.00 O ATOM 137 CB ASP A 12 2.368 -4.604 -1.275 1.00 0.00 C ATOM 138 CG ASP A 12 3.865 -4.300 -1.366 1.00 0.00 C ATOM 139 OD1 ASP A 12 4.445 -4.614 -2.428 1.00 0.00 O ATOM 140 OD2 ASP A 12 4.396 -3.760 -0.371 1.00 0.00 O ATOM 0 H ASP A 12 3.091 -6.819 -3.441 1.00 0.00 H new ATOM 0 HA ASP A 12 0.836 -5.884 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.818 -3.664 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.161 -5.046 -0.300 1.00 0.00 H new ATOM 145 N SER A 13 0.827 -3.867 -3.775 1.00 0.00 N ATOM 146 CA SER A 13 0.672 -3.056 -4.971 1.00 0.00 C ATOM 147 C SER A 13 0.711 -3.947 -6.215 1.00 0.00 C ATOM 148 O SER A 13 1.768 -4.131 -6.818 1.00 0.00 O ATOM 149 CB SER A 13 1.759 -1.982 -5.053 1.00 0.00 C ATOM 150 OG SER A 13 2.221 -1.790 -6.387 1.00 0.00 O ATOM 0 H SER A 13 0.140 -3.684 -3.044 1.00 0.00 H new ATOM 0 HA SER A 13 -0.294 -2.553 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.369 -1.041 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.597 -2.265 -4.416 1.00 0.00 H new ATOM 0 HG SER A 13 2.599 -2.628 -6.726 1.00 0.00 H new ATOM 156 N TYR A 14 -0.453 -4.475 -6.561 1.00 0.00 N ATOM 157 CA TYR A 14 -0.565 -5.342 -7.722 1.00 0.00 C ATOM 158 C TYR A 14 -1.774 -4.958 -8.578 1.00 0.00 C ATOM 159 O TYR A 14 -1.672 -4.876 -9.801 1.00 0.00 O ATOM 160 CB TYR A 14 -0.771 -6.756 -7.175 1.00 0.00 C ATOM 161 CG TYR A 14 -0.864 -7.834 -8.256 1.00 0.00 C ATOM 162 CD1 TYR A 14 -0.125 -7.714 -9.415 1.00 0.00 C ATOM 163 CD2 TYR A 14 -1.686 -8.927 -8.072 1.00 0.00 C ATOM 164 CE1 TYR A 14 -0.212 -8.729 -10.433 1.00 0.00 C ATOM 165 CE2 TYR A 14 -1.773 -9.942 -9.090 1.00 0.00 C ATOM 166 CZ TYR A 14 -1.031 -9.793 -10.220 1.00 0.00 C ATOM 167 OH TYR A 14 -1.113 -10.752 -11.181 1.00 0.00 O ATOM 0 H TYR A 14 -1.327 -4.320 -6.058 1.00 0.00 H new ATOM 0 HA TYR A 14 0.324 -5.262 -8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.053 -6.999 -6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.683 -6.774 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.519 -6.859 -9.559 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.264 -9.021 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.360 -8.647 -11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.413 -10.802 -8.959 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.735 -11.452 -10.892 1.00 0.00 H new ATOM 177 N ASN A 15 -2.890 -4.733 -7.902 1.00 0.00 N ATOM 178 CA ASN A 15 -4.117 -4.359 -8.585 1.00 0.00 C ATOM 179 C ASN A 15 -5.203 -4.064 -7.549 1.00 0.00 C ATOM 180 O ASN A 15 -5.163 -4.587 -6.436 1.00 0.00 O ATOM 181 CB ASN A 15 -4.615 -5.494 -9.482 1.00 0.00 C ATOM 182 CG ASN A 15 -4.956 -4.977 -10.881 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.932 -3.789 -11.155 1.00 0.00 O ATOM 184 ND2 ASN A 15 -5.273 -5.934 -11.749 1.00 0.00 N ATOM 0 H ASN A 15 -2.971 -4.802 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.909 -3.481 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.851 -6.268 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.496 -5.955 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.515 -5.691 -12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.274 -6.910 -11.454 1.00 0.00 H new ATOM 191 N GLY A 16 -6.149 -3.228 -7.951 1.00 0.00 N ATOM 192 CA GLY A 16 -7.244 -2.857 -7.071 1.00 0.00 C ATOM 193 C GLY A 16 -6.767 -1.906 -5.972 1.00 0.00 C ATOM 194 O GLY A 16 -6.471 -0.742 -6.238 1.00 0.00 O ATOM 0 H GLY A 16 -6.180 -2.797 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.035 -2.381 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.673 -3.752 -6.621 1.00 0.00 H new ATOM 198 N ALA A 17 -6.705 -2.438 -4.760 1.00 0.00 N ATOM 199 CA ALA A 17 -6.269 -1.651 -3.619 1.00 0.00 C ATOM 200 C ALA A 17 -4.986 -0.901 -3.983 1.00 0.00 C ATOM 201 O ALA A 17 -4.379 -1.169 -5.019 1.00 0.00 O ATOM 202 CB ALA A 17 -6.084 -2.567 -2.407 1.00 0.00 C ATOM 0 H ALA A 17 -6.949 -3.404 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.022 -0.909 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.757 -1.976 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.030 -3.054 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.333 -3.324 -2.634 1.00 0.00 H new ATOM 208 N VAL A 18 -4.612 0.024 -3.111 1.00 0.00 N ATOM 209 CA VAL A 18 -3.412 0.815 -3.329 1.00 0.00 C ATOM 210 C VAL A 18 -3.270 1.119 -4.821 1.00 0.00 C ATOM 211 O VAL A 18 -4.267 1.245 -5.531 1.00 0.00 O ATOM 212 CB VAL A 18 -2.196 0.092 -2.747 1.00 0.00 C ATOM 213 CG1 VAL A 18 -2.414 -0.247 -1.271 1.00 0.00 C ATOM 214 CG2 VAL A 18 -1.867 -1.165 -3.555 1.00 0.00 C ATOM 0 H VAL A 18 -5.118 0.243 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.485 1.770 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.342 0.766 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.535 -0.760 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.577 0.671 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.286 -0.894 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.999 -1.660 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.720 -1.844 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.648 -0.888 -4.586 1.00 0.00 H new ATOM 224 N ARG A 19 -2.023 1.226 -5.254 1.00 0.00 N ATOM 225 CA ARG A 19 -1.737 1.513 -6.650 1.00 0.00 C ATOM 226 C ARG A 19 -0.294 1.997 -6.808 1.00 0.00 C ATOM 227 O ARG A 19 0.550 1.280 -7.342 1.00 0.00 O ATOM 228 CB ARG A 19 -2.688 2.577 -7.200 1.00 0.00 C ATOM 229 CG ARG A 19 -3.636 1.980 -8.241 1.00 0.00 C ATOM 230 CD ARG A 19 -2.897 1.677 -9.546 1.00 0.00 C ATOM 231 NE ARG A 19 -3.045 2.811 -10.486 1.00 0.00 N ATOM 232 CZ ARG A 19 -2.281 2.990 -11.573 1.00 0.00 C ATOM 233 NH1 ARG A 19 -1.311 2.112 -11.862 1.00 0.00 N ATOM 234 NH2 ARG A 19 -2.487 4.048 -12.369 1.00 0.00 N ATOM 0 H ARG A 19 -1.199 1.119 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.878 0.591 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.265 3.011 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.113 3.387 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.081 1.065 -7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.453 2.675 -8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.841 1.498 -9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.294 0.767 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.773 3.499 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.154 1.307 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.730 2.248 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.225 4.717 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.906 4.185 -13.196 1.00 0.00 H new ATOM 248 N GLU A 20 -0.056 3.211 -6.334 1.00 0.00 N ATOM 249 CA GLU A 20 1.270 3.800 -6.415 1.00 0.00 C ATOM 250 C GLU A 20 1.261 5.212 -5.827 1.00 0.00 C ATOM 251 O GLU A 20 2.247 5.649 -5.235 1.00 0.00 O ATOM 252 CB GLU A 20 1.777 3.810 -7.859 1.00 0.00 C ATOM 253 CG GLU A 20 0.837 4.609 -8.764 1.00 0.00 C ATOM 254 CD GLU A 20 1.560 5.807 -9.384 1.00 0.00 C ATOM 255 OE1 GLU A 20 1.952 6.700 -8.602 1.00 0.00 O ATOM 256 OE2 GLU A 20 1.705 5.803 -10.625 1.00 0.00 O ATOM 0 H GLU A 20 -0.759 3.803 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 20 1.955 3.188 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.777 4.243 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.859 2.787 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.451 3.964 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.021 4.956 -8.188 1.00 0.00 H new ATOM 263 N ASN A 21 0.136 5.888 -6.011 1.00 0.00 N ATOM 264 CA ASN A 21 -0.015 7.242 -5.506 1.00 0.00 C ATOM 265 C ASN A 21 -0.047 7.211 -3.976 1.00 0.00 C ATOM 266 O ASN A 21 0.763 7.864 -3.321 1.00 0.00 O ATOM 267 CB ASN A 21 -1.322 7.870 -5.993 1.00 0.00 C ATOM 268 CG ASN A 21 -1.058 8.902 -7.091 1.00 0.00 C ATOM 269 OD1 ASN A 21 -0.049 8.874 -7.777 1.00 0.00 O ATOM 270 ND2 ASN A 21 -2.018 9.814 -7.219 1.00 0.00 N ATOM 0 H ASN A 21 -0.680 5.523 -6.503 1.00 0.00 H new ATOM 0 HA ASN A 21 0.826 7.832 -5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.985 7.092 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.835 8.346 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.935 10.547 -7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.837 9.781 -6.612 1.00 0.00 H new ATOM 277 N TYR A 22 -0.992 6.444 -3.452 1.00 0.00 N ATOM 278 CA TYR A 22 -1.141 6.319 -2.012 1.00 0.00 C ATOM 279 C TYR A 22 -1.640 4.923 -1.632 1.00 0.00 C ATOM 280 O TYR A 22 -2.662 4.466 -2.140 1.00 0.00 O ATOM 281 CB TYR A 22 -2.194 7.352 -1.605 1.00 0.00 C ATOM 282 CG TYR A 22 -3.576 7.103 -2.212 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.438 6.202 -1.620 1.00 0.00 C ATOM 284 CD2 TYR A 22 -3.962 7.780 -3.351 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.739 5.969 -2.190 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.263 7.546 -3.922 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.087 6.652 -3.313 1.00 0.00 C ATOM 288 OH TYR A 22 -7.316 6.431 -3.853 1.00 0.00 O ATOM 0 H TYR A 22 -1.662 5.903 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.185 6.477 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.281 7.358 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.851 8.343 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.136 5.672 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.288 8.485 -3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.423 5.268 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.577 8.069 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.428 6.988 -4.651 1.00 0.00 H new ATOM 298 N THR A 23 -0.894 4.286 -0.741 1.00 0.00 N ATOM 299 CA THR A 23 -1.248 2.952 -0.286 1.00 0.00 C ATOM 300 C THR A 23 -2.060 3.027 1.008 1.00 0.00 C ATOM 301 O THR A 23 -1.982 4.014 1.738 1.00 0.00 O ATOM 302 CB THR A 23 0.043 2.142 -0.147 1.00 0.00 C ATOM 303 OG1 THR A 23 0.985 3.077 0.371 1.00 0.00 O ATOM 304 CG2 THR A 23 0.628 1.736 -1.501 1.00 0.00 C ATOM 0 H THR A 23 -0.046 4.669 -0.322 1.00 0.00 H new ATOM 0 HA THR A 23 -1.891 2.446 -1.007 1.00 0.00 H new ATOM 0 HB THR A 23 -0.151 1.249 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.851 2.635 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.543 1.164 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.095 1.125 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.854 2.630 -2.083 1.00 0.00 H new ATOM 312 N TRP A 24 -2.822 1.971 1.252 1.00 0.00 N ATOM 313 CA TRP A 24 -3.649 1.905 2.446 1.00 0.00 C ATOM 314 C TRP A 24 -3.850 0.431 2.801 1.00 0.00 C ATOM 315 O TRP A 24 -3.622 -0.448 1.971 1.00 0.00 O ATOM 316 CB TRP A 24 -4.966 2.656 2.243 1.00 0.00 C ATOM 317 CG TRP A 24 -6.067 1.817 1.592 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.317 1.654 0.285 1.00 0.00 C ATOM 319 CD2 TRP A 24 -7.063 1.026 2.275 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.397 0.820 0.077 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.865 0.426 1.325 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.279 0.825 3.649 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.937 -0.415 1.647 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.354 -0.018 3.955 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.171 -0.630 3.011 1.00 0.00 C ATOM 0 H TRP A 24 -2.884 1.154 0.644 1.00 0.00 H new ATOM 0 HA TRP A 24 -3.158 2.401 3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.320 3.015 3.209 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.780 3.535 1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.745 2.117 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.781 0.544 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.664 1.285 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.550 -0.873 0.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.563 -0.206 4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.982 -1.268 3.328 1.00 0.00 H new ATOM 336 N SER A 25 -4.275 0.205 4.035 1.00 0.00 N ATOM 337 CA SER A 25 -4.509 -1.148 4.510 1.00 0.00 C ATOM 338 C SER A 25 -5.617 -1.148 5.565 1.00 0.00 C ATOM 339 O SER A 25 -5.928 -0.108 6.144 1.00 0.00 O ATOM 340 CB SER A 25 -3.230 -1.760 5.084 1.00 0.00 C ATOM 341 OG SER A 25 -2.118 -1.591 4.209 1.00 0.00 O ATOM 0 H SER A 25 -4.463 0.936 4.721 1.00 0.00 H new ATOM 0 HA SER A 25 -4.822 -1.758 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.008 -1.299 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.388 -2.823 5.269 1.00 0.00 H new ATOM 0 HG SER A 25 -1.321 -1.994 4.612 1.00 0.00 H new ATOM 347 N GLN A 26 -6.184 -2.326 5.782 1.00 0.00 N ATOM 348 CA GLN A 26 -7.251 -2.475 6.757 1.00 0.00 C ATOM 349 C GLN A 26 -6.782 -3.341 7.929 1.00 0.00 C ATOM 350 O GLN A 26 -6.229 -4.420 7.725 1.00 0.00 O ATOM 351 CB GLN A 26 -8.507 -3.061 6.110 1.00 0.00 C ATOM 352 CG GLN A 26 -8.150 -4.203 5.157 1.00 0.00 C ATOM 353 CD GLN A 26 -9.316 -5.184 5.015 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.035 -5.195 4.030 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.463 -6.003 6.053 1.00 0.00 N ATOM 0 H GLN A 26 -5.924 -3.186 5.299 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.507 -1.487 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.183 -3.426 6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.038 -2.280 5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.890 -3.798 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.270 -4.729 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.825 -5.940 6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.214 -6.694 6.055 1.00 0.00 H new ATOM 364 N ASP A 27 -7.022 -2.835 9.130 1.00 0.00 N ATOM 365 CA ASP A 27 -6.631 -3.548 10.334 1.00 0.00 C ATOM 366 C ASP A 27 -7.880 -3.871 11.157 1.00 0.00 C ATOM 367 O ASP A 27 -8.990 -3.503 10.778 1.00 0.00 O ATOM 368 CB ASP A 27 -5.700 -2.698 11.200 1.00 0.00 C ATOM 369 CG ASP A 27 -4.385 -2.293 10.531 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.406 -2.127 9.292 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.388 -2.160 11.273 1.00 0.00 O ATOM 0 H ASP A 27 -7.482 -1.940 9.295 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.112 -4.458 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.231 -1.795 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.471 -3.250 12.112 1.00 0.00 H new ATOM 376 N TYR A 28 -7.655 -4.555 12.269 1.00 0.00 N ATOM 377 CA TYR A 28 -8.748 -4.932 13.150 1.00 0.00 C ATOM 378 C TYR A 28 -9.791 -3.816 13.237 1.00 0.00 C ATOM 379 O TYR A 28 -10.972 -4.044 12.980 1.00 0.00 O ATOM 380 CB TYR A 28 -8.124 -5.139 14.531 1.00 0.00 C ATOM 381 CG TYR A 28 -8.850 -6.174 15.393 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.057 -5.857 15.982 1.00 0.00 C ATOM 383 CD2 TYR A 28 -8.298 -7.425 15.582 1.00 0.00 C ATOM 384 CE1 TYR A 28 -10.741 -6.831 16.792 1.00 0.00 C ATOM 385 CE2 TYR A 28 -8.981 -8.399 16.393 1.00 0.00 C ATOM 386 CZ TYR A 28 -10.169 -8.054 16.958 1.00 0.00 C ATOM 387 OH TYR A 28 -10.815 -8.974 17.724 1.00 0.00 O ATOM 0 H TYR A 28 -6.732 -4.858 12.580 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.249 -5.826 12.779 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.086 -5.448 14.407 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.111 -4.186 15.059 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.489 -4.878 15.835 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.353 -7.673 15.121 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.687 -6.596 17.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.560 -9.381 16.549 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.291 -9.802 17.753 1.00 0.00 H new ATOM 397 N THR A 29 -9.317 -2.633 13.601 1.00 0.00 N ATOM 398 CA THR A 29 -10.193 -1.481 13.726 1.00 0.00 C ATOM 399 C THR A 29 -9.396 -0.185 13.571 1.00 0.00 C ATOM 400 O THR A 29 -9.119 0.499 14.555 1.00 0.00 O ATOM 401 CB THR A 29 -10.927 -1.588 15.064 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.388 -0.263 15.314 1.00 0.00 O ATOM 403 CG2 THR A 29 -9.979 -1.878 16.230 1.00 0.00 C ATOM 0 H THR A 29 -8.337 -2.448 13.813 1.00 0.00 H new ATOM 0 HA THR A 29 -10.938 -1.463 12.931 1.00 0.00 H new ATOM 0 HB THR A 29 -11.680 -2.374 15.003 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.620 0.328 15.464 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.551 -1.944 17.156 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.463 -2.822 16.054 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.247 -1.075 16.312 1.00 0.00 H new ATOM 411 N ASP A 30 -9.048 0.114 12.328 1.00 0.00 N ATOM 412 CA ASP A 30 -8.288 1.316 12.032 1.00 0.00 C ATOM 413 C ASP A 30 -7.715 1.216 10.617 1.00 0.00 C ATOM 414 O ASP A 30 -7.430 0.121 10.135 1.00 0.00 O ATOM 415 CB ASP A 30 -7.119 1.482 13.005 1.00 0.00 C ATOM 416 CG ASP A 30 -5.952 2.318 12.477 1.00 0.00 C ATOM 417 OD1 ASP A 30 -5.282 1.830 11.541 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.755 3.426 13.021 1.00 0.00 O ATOM 0 H ASP A 30 -9.279 -0.456 11.514 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.958 2.170 12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.491 1.942 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.746 0.494 13.273 1.00 0.00 H new ATOM 423 N LEU A 31 -7.562 2.374 9.991 1.00 0.00 N ATOM 424 CA LEU A 31 -7.027 2.431 8.641 1.00 0.00 C ATOM 425 C LEU A 31 -5.650 3.096 8.670 1.00 0.00 C ATOM 426 O LEU A 31 -5.466 4.121 9.325 1.00 0.00 O ATOM 427 CB LEU A 31 -8.021 3.114 7.700 1.00 0.00 C ATOM 428 CG LEU A 31 -9.442 2.546 7.697 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.405 3.473 8.440 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.912 2.255 6.270 1.00 0.00 C ATOM 0 H LEU A 31 -7.799 3.280 10.394 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.887 1.426 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.074 4.170 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.627 3.059 6.685 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.432 1.597 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.408 3.046 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.077 3.586 9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.418 4.449 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.925 1.852 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.903 3.177 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.244 1.528 5.808 1.00 0.00 H new ATOM 442 N GLU A 32 -4.718 2.486 7.953 1.00 0.00 N ATOM 443 CA GLU A 32 -3.363 3.007 7.888 1.00 0.00 C ATOM 444 C GLU A 32 -2.966 3.274 6.435 1.00 0.00 C ATOM 445 O GLU A 32 -2.679 2.343 5.684 1.00 0.00 O ATOM 446 CB GLU A 32 -2.376 2.050 8.559 1.00 0.00 C ATOM 447 CG GLU A 32 -1.730 2.699 9.785 1.00 0.00 C ATOM 448 CD GLU A 32 -1.084 1.646 10.687 1.00 0.00 C ATOM 449 OE1 GLU A 32 -0.088 1.043 10.232 1.00 0.00 O ATOM 450 OE2 GLU A 32 -1.600 1.467 11.811 1.00 0.00 O ATOM 0 H GLU A 32 -4.874 1.636 7.412 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.331 3.951 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.893 1.138 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.603 1.761 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.978 3.420 9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.483 3.252 10.347 1.00 0.00 H new ATOM 457 N VAL A 33 -2.962 4.551 6.081 1.00 0.00 N ATOM 458 CA VAL A 33 -2.605 4.953 4.732 1.00 0.00 C ATOM 459 C VAL A 33 -1.324 5.788 4.775 1.00 0.00 C ATOM 460 O VAL A 33 -1.268 6.811 5.455 1.00 0.00 O ATOM 461 CB VAL A 33 -3.776 5.688 4.077 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.579 6.474 5.116 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.289 6.604 2.953 1.00 0.00 C ATOM 0 H VAL A 33 -3.201 5.321 6.706 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.402 4.078 4.115 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.437 4.941 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.406 6.987 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.972 5.788 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.932 7.207 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.141 7.114 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.597 7.342 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.781 6.010 2.193 1.00 0.00 H new ATOM 473 N ARG A 34 -0.326 5.321 4.039 1.00 0.00 N ATOM 474 CA ARG A 34 0.951 6.012 3.985 1.00 0.00 C ATOM 475 C ARG A 34 1.211 6.537 2.572 1.00 0.00 C ATOM 476 O ARG A 34 1.057 5.804 1.596 1.00 0.00 O ATOM 477 CB ARG A 34 2.097 5.085 4.396 1.00 0.00 C ATOM 478 CG ARG A 34 2.393 5.209 5.892 1.00 0.00 C ATOM 479 CD ARG A 34 3.480 6.254 6.151 1.00 0.00 C ATOM 480 NE ARG A 34 4.340 5.821 7.276 1.00 0.00 N ATOM 481 CZ ARG A 34 5.262 4.853 7.188 1.00 0.00 C ATOM 482 NH1 ARG A 34 5.451 4.211 6.027 1.00 0.00 N ATOM 483 NH2 ARG A 34 5.996 4.527 8.260 1.00 0.00 N ATOM 0 H ARG A 34 -0.376 4.472 3.475 1.00 0.00 H new ATOM 0 HA ARG A 34 0.906 6.847 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.839 4.053 4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.991 5.330 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.483 5.486 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.711 4.243 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.083 6.393 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.023 7.217 6.381 1.00 0.00 H new ATOM 0 HE ARG A 34 4.223 6.289 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.893 4.459 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.153 3.474 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.853 5.016 9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.698 3.790 8.193 1.00 0.00 H new ATOM 497 N VAL A 35 1.601 7.802 2.507 1.00 0.00 N ATOM 498 CA VAL A 35 1.884 8.433 1.229 1.00 0.00 C ATOM 499 C VAL A 35 3.386 8.701 1.119 1.00 0.00 C ATOM 500 O VAL A 35 4.003 9.192 2.062 1.00 0.00 O ATOM 501 CB VAL A 35 1.038 9.698 1.072 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.168 10.273 -0.340 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.427 9.425 1.419 1.00 0.00 C ATOM 0 H VAL A 35 1.728 8.407 3.319 1.00 0.00 H new ATOM 0 HA VAL A 35 1.611 7.771 0.407 1.00 0.00 H new ATOM 0 HB VAL A 35 1.416 10.442 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.557 11.172 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.211 10.523 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.829 9.534 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.006 10.341 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.821 8.657 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.499 9.083 2.451 1.00 0.00 H new ATOM 513 N PRO A 36 3.945 8.358 -0.073 1.00 0.00 N ATOM 514 CA PRO A 36 5.363 8.556 -0.318 1.00 0.00 C ATOM 515 C PRO A 36 5.677 10.035 -0.558 1.00 0.00 C ATOM 516 O PRO A 36 4.908 10.738 -1.211 1.00 0.00 O ATOM 517 CB PRO A 36 5.681 7.680 -1.519 1.00 0.00 C ATOM 518 CG PRO A 36 4.347 7.386 -2.185 1.00 0.00 C ATOM 519 CD PRO A 36 3.245 7.774 -1.213 1.00 0.00 C ATOM 0 HA PRO A 36 5.980 8.278 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.357 8.189 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.175 6.759 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.252 7.948 -3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.274 6.330 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.554 8.488 -1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.657 6.906 -0.914 1.00 0.00 H new ATOM 527 N VAL A 37 6.808 10.462 -0.016 1.00 0.00 N ATOM 528 CA VAL A 37 7.232 11.844 -0.163 1.00 0.00 C ATOM 529 C VAL A 37 8.670 11.878 -0.686 1.00 0.00 C ATOM 530 O VAL A 37 9.410 10.907 -0.542 1.00 0.00 O ATOM 531 CB VAL A 37 7.061 12.587 1.163 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.603 12.556 1.625 1.00 0.00 C ATOM 533 CG2 VAL A 37 7.989 12.015 2.237 1.00 0.00 C ATOM 0 H VAL A 37 7.443 9.876 0.525 1.00 0.00 H new ATOM 0 HA VAL A 37 6.608 12.360 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 37 7.339 13.628 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.509 13.091 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.973 13.033 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.286 11.522 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.847 12.562 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.757 10.962 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.025 12.114 1.913 1.00 0.00 H new ATOM 543 N PRO A 38 9.030 13.038 -1.299 1.00 0.00 N ATOM 544 CA PRO A 38 10.365 13.212 -1.845 1.00 0.00 C ATOM 545 C PRO A 38 11.388 13.443 -0.730 1.00 0.00 C ATOM 546 O PRO A 38 11.028 13.500 0.445 1.00 0.00 O ATOM 547 CB PRO A 38 10.250 14.390 -2.799 1.00 0.00 C ATOM 548 CG PRO A 38 8.977 15.122 -2.405 1.00 0.00 C ATOM 549 CD PRO A 38 8.179 14.209 -1.488 1.00 0.00 C ATOM 0 HA PRO A 38 10.724 12.326 -2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.118 15.044 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.202 14.051 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.216 16.057 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.394 15.378 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.959 14.696 -0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.223 13.936 -1.935 1.00 0.00 H new ATOM 557 N LYS A 39 12.642 13.570 -1.138 1.00 0.00 N ATOM 558 CA LYS A 39 13.719 13.794 -0.188 1.00 0.00 C ATOM 559 C LYS A 39 13.835 15.292 0.101 1.00 0.00 C ATOM 560 O LYS A 39 14.804 15.735 0.714 1.00 0.00 O ATOM 561 CB LYS A 39 15.018 13.162 -0.692 1.00 0.00 C ATOM 562 CG LYS A 39 14.766 11.756 -1.242 1.00 0.00 C ATOM 563 CD LYS A 39 14.860 10.708 -0.131 1.00 0.00 C ATOM 564 CE LYS A 39 14.604 9.303 -0.680 1.00 0.00 C ATOM 565 NZ LYS A 39 14.399 8.343 0.427 1.00 0.00 N ATOM 0 H LYS A 39 12.937 13.522 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 39 13.500 13.302 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.453 13.788 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.743 13.114 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.780 11.714 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.493 11.531 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.847 10.748 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.135 10.935 0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.727 9.313 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.448 8.986 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.227 7.395 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.247 8.321 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.579 8.638 0.995 1.00 0.00 H new ATOM 579 N HIS A 40 12.833 16.029 -0.356 1.00 0.00 N ATOM 580 CA HIS A 40 12.811 17.468 -0.154 1.00 0.00 C ATOM 581 C HIS A 40 11.695 17.832 0.827 1.00 0.00 C ATOM 582 O HIS A 40 11.551 18.993 1.206 1.00 0.00 O ATOM 583 CB HIS A 40 12.689 18.202 -1.491 1.00 0.00 C ATOM 584 CG HIS A 40 11.308 18.142 -2.100 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.047 17.512 -3.305 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.117 18.638 -1.659 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.754 17.631 -3.567 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.179 18.329 -2.546 1.00 0.00 N ATOM 0 H HIS A 40 12.031 15.657 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 40 13.754 17.792 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.967 19.246 -1.347 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.404 17.776 -2.195 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.733 17.037 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.963 19.189 -0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.244 17.243 -4.437 1.00 0.00 H new ATOM 596 N VAL A 41 10.933 16.817 1.209 1.00 0.00 N ATOM 597 CA VAL A 41 9.834 17.015 2.139 1.00 0.00 C ATOM 598 C VAL A 41 10.274 16.589 3.541 1.00 0.00 C ATOM 599 O VAL A 41 10.439 15.400 3.809 1.00 0.00 O ATOM 600 CB VAL A 41 8.593 16.267 1.648 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.585 16.075 2.783 1.00 0.00 C ATOM 602 CG2 VAL A 41 7.951 16.989 0.461 1.00 0.00 C ATOM 0 H VAL A 41 11.055 15.855 0.891 1.00 0.00 H new ATOM 0 HA VAL A 41 9.562 18.069 2.191 1.00 0.00 H new ATOM 0 HB VAL A 41 8.909 15.280 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.712 15.541 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.046 15.499 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.278 17.048 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.071 16.436 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.656 17.994 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.668 17.051 -0.358 1.00 0.00 H new ATOM 612 N VAL A 42 10.452 17.583 4.398 1.00 0.00 N ATOM 613 CA VAL A 42 10.869 17.326 5.766 1.00 0.00 C ATOM 614 C VAL A 42 9.944 18.075 6.727 1.00 0.00 C ATOM 615 O VAL A 42 9.562 17.543 7.768 1.00 0.00 O ATOM 616 CB VAL A 42 12.343 17.699 5.942 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.249 16.728 5.182 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.599 19.143 5.507 1.00 0.00 C ATOM 0 H VAL A 42 10.315 18.568 4.172 1.00 0.00 H new ATOM 0 HA VAL A 42 10.786 16.264 5.997 1.00 0.00 H new ATOM 0 HB VAL A 42 12.584 17.621 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.291 17.016 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.097 15.717 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.005 16.759 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.654 19.382 5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.332 19.259 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.993 19.818 6.112 1.00 0.00 H new ATOM 628 N LYS A 43 9.610 19.298 6.343 1.00 0.00 N ATOM 629 CA LYS A 43 8.737 20.126 7.157 1.00 0.00 C ATOM 630 C LYS A 43 7.279 19.807 6.820 1.00 0.00 C ATOM 631 O LYS A 43 6.901 19.779 5.650 1.00 0.00 O ATOM 632 CB LYS A 43 9.096 21.605 6.996 1.00 0.00 C ATOM 633 CG LYS A 43 10.384 21.942 7.751 1.00 0.00 C ATOM 634 CD LYS A 43 11.286 22.854 6.918 1.00 0.00 C ATOM 635 CE LYS A 43 12.753 22.691 7.321 1.00 0.00 C ATOM 636 NZ LYS A 43 13.242 23.912 8.000 1.00 0.00 N ATOM 0 H LYS A 43 9.928 19.736 5.478 1.00 0.00 H new ATOM 0 HA LYS A 43 8.877 19.902 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.218 21.840 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.279 22.224 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.139 22.430 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.917 21.023 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.168 22.620 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.982 23.892 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.861 21.832 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.359 22.491 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.239 23.785 8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.157 24.725 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.674 24.085 8.854 1.00 0.00 H new ATOM 650 N GLY A 44 6.500 19.575 7.867 1.00 0.00 N ATOM 651 CA GLY A 44 5.092 19.259 7.696 1.00 0.00 C ATOM 652 C GLY A 44 4.348 20.416 7.025 1.00 0.00 C ATOM 653 O GLY A 44 3.243 20.236 6.516 1.00 0.00 O ATOM 0 H GLY A 44 6.817 19.600 8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.989 18.357 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.643 19.047 8.666 1.00 0.00 H new ATOM 657 N LYS A 45 4.984 21.578 7.047 1.00 0.00 N ATOM 658 CA LYS A 45 4.397 22.764 6.447 1.00 0.00 C ATOM 659 C LYS A 45 4.489 22.659 4.923 1.00 0.00 C ATOM 660 O LYS A 45 3.943 23.495 4.206 1.00 0.00 O ATOM 661 CB LYS A 45 5.042 24.028 7.017 1.00 0.00 C ATOM 662 CG LYS A 45 6.349 24.352 6.289 1.00 0.00 C ATOM 663 CD LYS A 45 6.870 25.734 6.688 1.00 0.00 C ATOM 664 CE LYS A 45 8.400 25.766 6.681 1.00 0.00 C ATOM 665 NZ LYS A 45 8.908 26.506 7.858 1.00 0.00 N ATOM 0 H LYS A 45 5.900 21.724 7.471 1.00 0.00 H new ATOM 0 HA LYS A 45 3.339 22.834 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.352 24.867 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.238 23.893 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.098 23.595 6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.188 24.317 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.484 26.485 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.502 25.993 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.791 24.749 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.756 26.239 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.948 26.518 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.550 27.482 7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.584 26.038 8.729 1.00 0.00 H new ATOM 679 N GLN A 46 5.184 21.624 4.475 1.00 0.00 N ATOM 680 CA GLN A 46 5.355 21.399 3.049 1.00 0.00 C ATOM 681 C GLN A 46 4.256 20.474 2.522 1.00 0.00 C ATOM 682 O GLN A 46 4.045 20.381 1.314 1.00 0.00 O ATOM 683 CB GLN A 46 6.743 20.830 2.747 1.00 0.00 C ATOM 684 CG GLN A 46 7.834 21.641 3.449 1.00 0.00 C ATOM 685 CD GLN A 46 9.138 21.615 2.648 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.333 20.487 1.970 1.00 0.00 O flip ATOM 687 NE2 GLN A 46 9.915 22.555 2.647 1.00 0.00 N flip ATOM 0 H GLN A 46 5.635 20.932 5.073 1.00 0.00 H new ATOM 0 HA GLN A 46 5.272 22.358 2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.792 19.791 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.916 20.836 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.501 22.671 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.008 21.237 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.704 23.392 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.776 22.504 2.103 1.00 0.00 H new ATOM 696 N VAL A 47 3.586 19.813 3.455 1.00 0.00 N ATOM 697 CA VAL A 47 2.514 18.899 3.099 1.00 0.00 C ATOM 698 C VAL A 47 1.203 19.394 3.713 1.00 0.00 C ATOM 699 O VAL A 47 1.168 19.787 4.879 1.00 0.00 O ATOM 700 CB VAL A 47 2.876 17.476 3.529 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.306 16.633 2.328 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.961 17.488 4.607 1.00 0.00 C ATOM 0 H VAL A 47 3.765 19.892 4.456 1.00 0.00 H new ATOM 0 HA VAL A 47 2.377 18.873 2.018 1.00 0.00 H new ATOM 0 HB VAL A 47 1.984 17.019 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.558 15.626 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.490 16.583 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.178 17.088 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.199 16.464 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.856 17.973 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.602 18.035 5.479 1.00 0.00 H new ATOM 712 N SER A 48 0.156 19.359 2.902 1.00 0.00 N ATOM 713 CA SER A 48 -1.154 19.799 3.350 1.00 0.00 C ATOM 714 C SER A 48 -1.982 18.597 3.808 1.00 0.00 C ATOM 715 O SER A 48 -1.940 17.537 3.185 1.00 0.00 O ATOM 716 CB SER A 48 -1.888 20.559 2.244 1.00 0.00 C ATOM 717 OG SER A 48 -1.056 21.535 1.623 1.00 0.00 O ATOM 0 H SER A 48 0.189 19.032 1.936 1.00 0.00 H new ATOM 0 HA SER A 48 -1.017 20.479 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.241 19.853 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.768 21.047 2.662 1.00 0.00 H new ATOM 0 HG SER A 48 -1.561 21.997 0.922 1.00 0.00 H new ATOM 723 N VAL A 49 -2.715 18.801 4.893 1.00 0.00 N ATOM 724 CA VAL A 49 -3.551 17.747 5.441 1.00 0.00 C ATOM 725 C VAL A 49 -4.881 18.345 5.902 1.00 0.00 C ATOM 726 O VAL A 49 -4.901 19.306 6.669 1.00 0.00 O ATOM 727 CB VAL A 49 -2.805 17.015 6.559 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.753 16.113 7.351 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.627 16.216 5.999 1.00 0.00 C ATOM 0 H VAL A 49 -2.747 19.681 5.407 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.776 17.003 4.677 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.407 17.764 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.198 15.605 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.543 16.717 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.194 15.373 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.114 15.705 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.994 15.480 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.933 16.892 5.500 1.00 0.00 H new ATOM 739 N ALA A 50 -5.961 17.752 5.415 1.00 0.00 N ATOM 740 CA ALA A 50 -7.293 18.214 5.767 1.00 0.00 C ATOM 741 C ALA A 50 -8.117 17.033 6.283 1.00 0.00 C ATOM 742 O ALA A 50 -8.452 16.125 5.523 1.00 0.00 O ATOM 743 CB ALA A 50 -7.936 18.889 4.555 1.00 0.00 C ATOM 0 H ALA A 50 -5.941 16.955 4.779 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.244 18.955 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.935 19.236 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.327 19.739 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.005 18.175 3.735 1.00 0.00 H new ATOM 749 N LEU A 51 -8.422 17.083 7.572 1.00 0.00 N ATOM 750 CA LEU A 51 -9.201 16.029 8.198 1.00 0.00 C ATOM 751 C LEU A 51 -10.563 16.588 8.616 1.00 0.00 C ATOM 752 O LEU A 51 -10.636 17.600 9.311 1.00 0.00 O ATOM 753 CB LEU A 51 -8.417 15.395 9.349 1.00 0.00 C ATOM 754 CG LEU A 51 -7.163 14.613 8.955 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.362 14.201 10.191 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.519 13.412 8.076 1.00 0.00 C ATOM 0 H LEU A 51 -8.143 17.837 8.199 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.390 15.223 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.126 16.184 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.084 14.724 9.891 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.525 15.268 8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.476 13.647 9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.059 15.092 10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.979 13.571 10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.609 12.873 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.188 12.747 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.014 13.759 7.169 1.00 0.00 H new ATOM 768 N SER A 52 -11.608 15.903 8.176 1.00 0.00 N ATOM 769 CA SER A 52 -12.964 16.318 8.496 1.00 0.00 C ATOM 770 C SER A 52 -13.752 15.136 9.065 1.00 0.00 C ATOM 771 O SER A 52 -14.184 15.171 10.216 1.00 0.00 O ATOM 772 CB SER A 52 -13.672 16.884 7.263 1.00 0.00 C ATOM 773 OG SER A 52 -13.024 18.051 6.764 1.00 0.00 O ATOM 0 H SER A 52 -11.544 15.063 7.601 1.00 0.00 H new ATOM 0 HA SER A 52 -12.913 17.107 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.703 16.124 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.705 17.123 7.516 1.00 0.00 H new ATOM 0 HG SER A 52 -13.505 18.381 5.976 1.00 0.00 H new ATOM 779 N SER A 53 -13.916 14.119 8.232 1.00 0.00 N ATOM 780 CA SER A 53 -14.645 12.929 8.638 1.00 0.00 C ATOM 781 C SER A 53 -14.783 11.971 7.453 1.00 0.00 C ATOM 782 O SER A 53 -14.437 10.795 7.558 1.00 0.00 O ATOM 783 CB SER A 53 -16.024 13.291 9.192 1.00 0.00 C ATOM 784 OG SER A 53 -16.803 14.022 8.249 1.00 0.00 O ATOM 0 H SER A 53 -13.557 14.094 7.278 1.00 0.00 H new ATOM 0 HA SER A 53 -14.083 12.437 9.431 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.553 12.380 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.906 13.882 10.100 1.00 0.00 H new ATOM 0 HG SER A 53 -17.677 14.233 8.640 1.00 0.00 H new ATOM 790 N SER A 54 -15.290 12.509 6.354 1.00 0.00 N ATOM 791 CA SER A 54 -15.478 11.716 5.151 1.00 0.00 C ATOM 792 C SER A 54 -14.685 12.326 3.993 1.00 0.00 C ATOM 793 O SER A 54 -15.112 12.260 2.841 1.00 0.00 O ATOM 794 CB SER A 54 -16.960 11.615 4.784 1.00 0.00 C ATOM 795 OG SER A 54 -17.514 12.884 4.443 1.00 0.00 O ATOM 0 H SER A 54 -15.576 13.484 6.271 1.00 0.00 H new ATOM 0 HA SER A 54 -15.110 10.708 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.080 10.930 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.513 11.192 5.622 1.00 0.00 H new ATOM 0 HG SER A 54 -18.461 12.777 4.213 1.00 0.00 H new ATOM 801 N SER A 55 -13.545 12.905 4.339 1.00 0.00 N ATOM 802 CA SER A 55 -12.689 13.526 3.342 1.00 0.00 C ATOM 803 C SER A 55 -11.248 13.583 3.853 1.00 0.00 C ATOM 804 O SER A 55 -11.015 13.627 5.060 1.00 0.00 O ATOM 805 CB SER A 55 -13.183 14.930 2.990 1.00 0.00 C ATOM 806 OG SER A 55 -14.043 15.461 3.993 1.00 0.00 O ATOM 0 H SER A 55 -13.194 12.957 5.295 1.00 0.00 H new ATOM 0 HA SER A 55 -12.723 12.921 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.328 15.593 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.712 14.900 2.038 1.00 0.00 H new ATOM 0 HG SER A 55 -14.335 16.359 3.731 1.00 0.00 H new ATOM 812 N ILE A 56 -10.318 13.580 2.909 1.00 0.00 N ATOM 813 CA ILE A 56 -8.906 13.630 3.248 1.00 0.00 C ATOM 814 C ILE A 56 -8.145 14.354 2.136 1.00 0.00 C ATOM 815 O ILE A 56 -8.545 14.310 0.974 1.00 0.00 O ATOM 816 CB ILE A 56 -8.376 12.226 3.544 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.042 12.290 4.292 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.276 11.397 2.263 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.899 12.658 3.343 1.00 0.00 C ATOM 0 H ILE A 56 -10.515 13.544 1.909 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.753 14.202 4.163 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.088 11.723 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.105 13.026 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.836 11.327 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.897 10.403 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.263 11.309 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.597 11.887 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.962 12.697 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.823 11.907 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.096 13.633 2.896 1.00 0.00 H new ATOM 831 N ARG A 57 -7.060 15.003 2.532 1.00 0.00 N ATOM 832 CA ARG A 57 -6.238 15.735 1.583 1.00 0.00 C ATOM 833 C ARG A 57 -4.754 15.521 1.889 1.00 0.00 C ATOM 834 O ARG A 57 -4.326 15.665 3.033 1.00 0.00 O ATOM 835 CB ARG A 57 -6.549 17.233 1.625 1.00 0.00 C ATOM 836 CG ARG A 57 -5.763 17.987 0.551 1.00 0.00 C ATOM 837 CD ARG A 57 -6.596 19.125 -0.041 1.00 0.00 C ATOM 838 NE ARG A 57 -5.749 19.974 -0.909 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.219 20.722 -1.916 1.00 0.00 C ATOM 840 NH1 ARG A 57 -7.531 20.732 -2.189 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.376 21.461 -2.651 1.00 0.00 N ATOM 0 H ARG A 57 -6.731 15.037 3.497 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.465 15.356 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.617 17.390 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.302 17.632 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.846 18.389 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.468 17.298 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.427 18.717 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.027 19.726 0.760 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.745 19.990 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.173 20.170 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.888 21.302 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.377 21.453 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.733 22.031 -3.418 1.00 0.00 H new ATOM 855 N VAL A 58 -4.011 15.179 0.847 1.00 0.00 N ATOM 856 CA VAL A 58 -2.584 14.944 0.990 1.00 0.00 C ATOM 857 C VAL A 58 -1.851 15.534 -0.216 1.00 0.00 C ATOM 858 O VAL A 58 -1.768 14.900 -1.267 1.00 0.00 O ATOM 859 CB VAL A 58 -2.318 13.449 1.180 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.886 13.205 1.661 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.333 12.829 2.142 1.00 0.00 C ATOM 0 H VAL A 58 -4.370 15.059 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.201 15.445 1.879 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.434 12.962 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.722 12.135 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.183 13.594 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.731 13.712 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.121 11.766 2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.263 13.322 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.339 12.956 1.742 1.00 0.00 H new ATOM 871 N ALA A 59 -1.337 16.740 -0.024 1.00 0.00 N ATOM 872 CA ALA A 59 -0.613 17.422 -1.083 1.00 0.00 C ATOM 873 C ALA A 59 0.748 17.878 -0.553 1.00 0.00 C ATOM 874 O ALA A 59 0.862 18.288 0.601 1.00 0.00 O ATOM 875 CB ALA A 59 -1.455 18.587 -1.609 1.00 0.00 C ATOM 0 H ALA A 59 -1.408 17.262 0.849 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.431 16.748 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.912 19.099 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.398 18.206 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.655 19.287 -0.798 1.00 0.00 H new ATOM 881 N MET A 60 1.745 17.792 -1.421 1.00 0.00 N ATOM 882 CA MET A 60 3.093 18.192 -1.054 1.00 0.00 C ATOM 883 C MET A 60 3.542 19.412 -1.861 1.00 0.00 C ATOM 884 O MET A 60 3.301 19.488 -3.064 1.00 0.00 O ATOM 885 CB MET A 60 4.056 17.030 -1.308 1.00 0.00 C ATOM 886 CG MET A 60 3.900 16.489 -2.730 1.00 0.00 C ATOM 887 SD MET A 60 5.493 16.010 -3.379 1.00 0.00 S ATOM 888 CE MET A 60 6.372 17.555 -3.215 1.00 0.00 C ATOM 0 H MET A 60 1.647 17.451 -2.377 1.00 0.00 H new ATOM 0 HA MET A 60 3.098 18.457 0.003 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.082 17.363 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.867 16.233 -0.589 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.226 15.633 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.451 17.249 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.140 17.620 -3.985 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.674 18.385 -3.328 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.839 17.605 -2.231 1.00 0.00 H new ATOM 898 N LEU A 61 4.186 20.337 -1.164 1.00 0.00 N ATOM 899 CA LEU A 61 4.671 21.550 -1.800 1.00 0.00 C ATOM 900 C LEU A 61 5.793 21.195 -2.778 1.00 0.00 C ATOM 901 O LEU A 61 6.629 20.342 -2.485 1.00 0.00 O ATOM 902 CB LEU A 61 5.077 22.582 -0.746 1.00 0.00 C ATOM 903 CG LEU A 61 3.938 23.176 0.085 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.320 24.551 0.636 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.638 23.223 -0.720 1.00 0.00 C ATOM 0 H LEU A 61 4.383 20.271 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 61 3.877 22.018 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.791 22.117 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.598 23.398 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 61 3.764 22.523 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.493 24.951 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.202 24.457 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.538 25.227 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.845 23.649 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.781 23.840 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.360 22.213 -1.022 1.00 0.00 H new ATOM 917 N GLU A 62 5.774 21.867 -3.919 1.00 0.00 N ATOM 918 CA GLU A 62 6.780 21.634 -4.942 1.00 0.00 C ATOM 919 C GLU A 62 7.790 22.782 -4.965 1.00 0.00 C ATOM 920 O GLU A 62 7.738 23.676 -4.122 1.00 0.00 O ATOM 921 CB GLU A 62 6.132 21.445 -6.315 1.00 0.00 C ATOM 922 CG GLU A 62 5.533 20.044 -6.451 1.00 0.00 C ATOM 923 CD GLU A 62 6.402 19.161 -7.349 1.00 0.00 C ATOM 924 OE1 GLU A 62 6.651 19.589 -8.496 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.797 18.077 -6.867 1.00 0.00 O ATOM 0 H GLU A 62 5.078 22.573 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 62 7.312 20.714 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.352 22.193 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.875 21.604 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.440 19.587 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.528 20.113 -6.866 1.00 0.00 H new ATOM 932 N GLU A 63 8.686 22.720 -5.939 1.00 0.00 N ATOM 933 CA GLU A 63 9.707 23.744 -6.083 1.00 0.00 C ATOM 934 C GLU A 63 9.087 25.042 -6.604 1.00 0.00 C ATOM 935 O GLU A 63 9.654 26.120 -6.429 1.00 0.00 O ATOM 936 CB GLU A 63 10.835 23.268 -7.001 1.00 0.00 C ATOM 937 CG GLU A 63 11.963 22.622 -6.193 1.00 0.00 C ATOM 938 CD GLU A 63 12.681 21.550 -7.015 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.905 21.811 -8.217 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.989 20.493 -6.423 1.00 0.00 O ATOM 0 H GLU A 63 8.726 21.977 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 63 10.139 23.939 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.443 22.551 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.227 24.112 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.676 23.386 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.556 22.177 -5.285 1.00 0.00 H new ATOM 947 N ASN A 64 7.931 24.897 -7.235 1.00 0.00 N ATOM 948 CA ASN A 64 7.228 26.044 -7.783 1.00 0.00 C ATOM 949 C ASN A 64 5.720 25.798 -7.705 1.00 0.00 C ATOM 950 O ASN A 64 5.011 25.944 -8.700 1.00 0.00 O ATOM 951 CB ASN A 64 7.596 26.266 -9.252 1.00 0.00 C ATOM 952 CG ASN A 64 7.617 27.757 -9.593 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.180 28.601 -8.829 1.00 0.00 O ATOM 954 ND2 ASN A 64 8.147 28.033 -10.781 1.00 0.00 N ATOM 0 H ASN A 64 7.464 24.002 -7.379 1.00 0.00 H new ATOM 0 HA ASN A 64 7.513 26.922 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.574 25.829 -9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.878 25.753 -9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.206 29.000 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.495 27.278 -11.372 1.00 0.00 H new ATOM 961 N GLY A 65 5.274 25.429 -6.513 1.00 0.00 N ATOM 962 CA GLY A 65 3.863 25.161 -6.293 1.00 0.00 C ATOM 963 C GLY A 65 3.672 23.981 -5.338 1.00 0.00 C ATOM 964 O GLY A 65 4.338 23.897 -4.308 1.00 0.00 O ATOM 0 H GLY A 65 5.865 25.309 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.380 26.048 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.377 24.946 -7.245 1.00 0.00 H new ATOM 968 N GLU A 66 2.758 23.098 -5.715 1.00 0.00 N ATOM 969 CA GLU A 66 2.471 21.926 -4.905 1.00 0.00 C ATOM 970 C GLU A 66 1.850 20.825 -5.767 1.00 0.00 C ATOM 971 O GLU A 66 1.674 21.000 -6.972 1.00 0.00 O ATOM 972 CB GLU A 66 1.559 22.282 -3.729 1.00 0.00 C ATOM 973 CG GLU A 66 0.088 22.249 -4.147 1.00 0.00 C ATOM 974 CD GLU A 66 -0.125 22.996 -5.466 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.468 24.088 -5.601 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.876 22.458 -6.308 1.00 0.00 O ATOM 0 H GLU A 66 2.207 23.171 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 66 3.409 21.553 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.724 21.581 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.812 23.274 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.240 21.215 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.526 22.699 -3.367 1.00 0.00 H new ATOM 983 N ARG A 67 1.535 19.715 -5.115 1.00 0.00 N ATOM 984 CA ARG A 67 0.938 18.585 -5.807 1.00 0.00 C ATOM 985 C ARG A 67 0.138 17.725 -4.826 1.00 0.00 C ATOM 986 O ARG A 67 0.493 17.622 -3.653 1.00 0.00 O ATOM 987 CB ARG A 67 2.008 17.721 -6.477 1.00 0.00 C ATOM 988 CG ARG A 67 1.424 16.383 -6.934 1.00 0.00 C ATOM 989 CD ARG A 67 2.217 15.813 -8.112 1.00 0.00 C ATOM 990 NE ARG A 67 1.304 15.514 -9.239 1.00 0.00 N ATOM 991 CZ ARG A 67 0.920 16.414 -10.153 1.00 0.00 C ATOM 992 NH1 ARG A 67 1.366 17.675 -10.081 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.089 16.053 -11.141 1.00 0.00 N ATOM 0 H ARG A 67 1.682 19.574 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 67 0.273 18.980 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.425 18.251 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.828 17.545 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.437 15.675 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.382 16.517 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.977 16.527 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.739 14.906 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 67 0.945 14.563 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.999 17.950 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.073 18.360 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.251 15.093 -11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.204 16.739 -11.837 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.927 17.131 -5.343 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.780 16.283 -4.528 1.00 0.00 C ATOM 1009 C VAL A 68 -1.312 14.831 -4.645 1.00 0.00 C ATOM 1010 O VAL A 68 -1.412 14.228 -5.712 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.245 16.473 -4.929 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.164 15.588 -4.086 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.654 17.944 -4.827 1.00 0.00 C ATOM 0 H VAL A 68 -1.219 17.220 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.705 16.565 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.350 16.167 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.199 15.743 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.895 14.542 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.054 15.848 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.699 18.052 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.525 18.287 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.029 18.542 -5.491 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.811 14.313 -3.534 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.327 12.943 -3.499 1.00 0.00 C ATOM 1025 C LEU A 69 -1.519 11.985 -3.520 1.00 0.00 C ATOM 1026 O LEU A 69 -1.567 11.066 -4.336 1.00 0.00 O ATOM 1027 CB LEU A 69 0.608 12.736 -2.306 1.00 0.00 C ATOM 1028 CG LEU A 69 1.843 13.638 -2.257 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.607 13.450 -0.945 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.737 13.411 -3.478 1.00 0.00 C ATOM 0 H LEU A 69 -0.729 14.817 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 69 0.271 12.727 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.036 12.887 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.941 11.698 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 69 1.510 14.675 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.480 14.102 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.957 13.701 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.929 12.412 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.607 14.064 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.064 12.372 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.177 13.635 -4.386 1.00 0.00 H new ATOM 1042 N MET A 70 -2.452 12.232 -2.613 1.00 0.00 N ATOM 1043 CA MET A 70 -3.641 11.402 -2.516 1.00 0.00 C ATOM 1044 C MET A 70 -4.911 12.251 -2.613 1.00 0.00 C ATOM 1045 O MET A 70 -5.398 12.524 -3.709 1.00 0.00 O ATOM 1046 CB MET A 70 -3.631 10.648 -1.186 1.00 0.00 C ATOM 1047 CG MET A 70 -4.955 9.914 -0.961 1.00 0.00 C ATOM 1048 SD MET A 70 -4.711 8.541 0.153 1.00 0.00 S ATOM 1049 CE MET A 70 -6.385 8.306 0.726 1.00 0.00 C ATOM 0 H MET A 70 -2.409 12.996 -1.938 1.00 0.00 H new ATOM 0 HA MET A 70 -3.635 10.694 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.808 9.933 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.456 11.348 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.695 10.600 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.348 9.555 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.392 8.243 1.814 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.000 9.148 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.787 7.384 0.307 1.00 0.00 H new ATOM 1059 N GLU A 71 -5.412 12.643 -1.451 1.00 0.00 N ATOM 1060 CA GLU A 71 -6.615 13.455 -1.390 1.00 0.00 C ATOM 1061 C GLU A 71 -7.786 12.718 -2.045 1.00 0.00 C ATOM 1062 O GLU A 71 -7.597 11.981 -3.011 1.00 0.00 O ATOM 1063 CB GLU A 71 -6.391 14.819 -2.046 1.00 0.00 C ATOM 1064 CG GLU A 71 -7.531 15.783 -1.711 1.00 0.00 C ATOM 1065 CD GLU A 71 -7.897 16.641 -2.924 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -6.973 17.290 -3.460 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -9.093 16.628 -3.288 1.00 0.00 O ATOM 0 H GLU A 71 -5.006 12.413 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.859 13.629 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.444 15.238 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.317 14.699 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.404 15.219 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.237 16.426 -0.882 1.00 0.00 H new ATOM 1074 N GLY A 72 -8.968 12.943 -1.491 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.169 12.309 -2.009 1.00 0.00 C ATOM 1076 C GLY A 72 -11.196 12.088 -0.897 1.00 0.00 C ATOM 1077 O GLY A 72 -10.829 11.882 0.259 1.00 0.00 O ATOM 0 H GLY A 72 -9.120 13.555 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.604 12.930 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.912 11.354 -2.466 1.00 0.00 H new ATOM 1081 N LYS A 73 -12.462 12.138 -1.285 1.00 0.00 N ATOM 1082 CA LYS A 73 -13.544 11.945 -0.334 1.00 0.00 C ATOM 1083 C LYS A 73 -13.546 10.491 0.142 1.00 0.00 C ATOM 1084 O LYS A 73 -13.613 9.569 -0.669 1.00 0.00 O ATOM 1085 CB LYS A 73 -14.875 12.396 -0.940 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.359 11.404 -2.000 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.280 12.089 -3.011 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.059 11.533 -4.419 1.00 0.00 C ATOM 1089 NZ LYS A 73 -16.686 12.415 -5.429 1.00 0.00 N ATOM 0 H LYS A 73 -12.763 12.309 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.393 12.568 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.624 12.488 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.759 13.383 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.502 10.972 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.889 10.582 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.320 11.944 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.095 13.163 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.991 11.444 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.481 10.531 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.527 12.023 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.708 12.479 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.264 13.364 -5.371 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.471 10.332 1.455 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.463 9.006 2.049 1.00 0.00 C ATOM 1105 C LEU A 74 -14.815 8.333 1.802 1.00 0.00 C ATOM 1106 O LEU A 74 -15.817 9.010 1.577 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.076 9.083 3.527 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.693 9.666 3.829 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.624 10.201 5.261 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.593 8.642 3.545 1.00 0.00 C ATOM 0 H LEU A 74 -13.415 11.100 2.124 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.704 8.382 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.823 9.683 4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.125 8.079 3.948 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.525 10.512 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.631 10.609 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.370 10.985 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.822 9.390 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.621 9.081 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.745 7.762 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.628 8.352 2.495 1.00 0.00 H new ATOM 1122 N THR A 75 -14.799 7.009 1.853 1.00 0.00 N ATOM 1123 CA THR A 75 -16.011 6.238 1.637 1.00 0.00 C ATOM 1124 C THR A 75 -16.935 6.346 2.852 1.00 0.00 C ATOM 1125 O THR A 75 -18.153 6.433 2.703 1.00 0.00 O ATOM 1126 CB THR A 75 -15.604 4.800 1.310 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.000 4.328 2.511 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.479 4.730 0.275 1.00 0.00 C ATOM 0 H THR A 75 -13.966 6.451 2.041 1.00 0.00 H new ATOM 0 HA THR A 75 -16.584 6.629 0.796 1.00 0.00 H new ATOM 0 HB THR A 75 -16.472 4.253 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.159 3.872 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.229 3.687 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.806 5.204 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.600 5.248 0.658 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.321 6.339 4.025 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.073 6.435 5.265 1.00 0.00 C ATOM 1138 C HIS A 76 -16.522 7.584 6.111 1.00 0.00 C ATOM 1139 O HIS A 76 -15.618 8.299 5.681 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.071 5.098 6.007 1.00 0.00 C ATOM 1141 CG HIS A 76 -17.453 3.917 5.147 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -18.708 3.777 4.581 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -16.733 2.824 4.762 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -18.732 2.647 3.889 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -17.507 2.058 4.003 1.00 0.00 N ATOM 0 H HIS A 76 -15.310 6.268 4.144 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.117 6.660 5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.078 4.926 6.422 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.761 5.160 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.707 2.617 5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.573 2.261 3.333 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.231 1.174 3.575 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.091 7.726 7.300 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.668 8.776 8.211 1.00 0.00 C ATOM 1155 C LYS A 77 -15.545 8.247 9.106 1.00 0.00 C ATOM 1156 O LYS A 77 -15.278 7.047 9.129 1.00 0.00 O ATOM 1157 CB LYS A 77 -17.866 9.327 8.987 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.760 10.178 8.084 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.762 10.988 8.910 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.548 11.956 8.024 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.866 13.196 8.766 1.00 0.00 N ATOM 0 H LYS A 77 -17.841 7.131 7.653 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.262 9.621 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.444 8.502 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.515 9.927 9.827 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.145 10.853 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.295 9.535 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.451 10.312 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.234 11.545 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.967 12.197 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.469 11.482 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.400 13.842 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.439 12.963 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.983 13.656 9.068 1.00 0.00 H new ATOM 1175 N ILE A 78 -14.918 9.169 9.821 1.00 0.00 N ATOM 1176 CA ILE A 78 -13.830 8.811 10.716 1.00 0.00 C ATOM 1177 C ILE A 78 -13.828 9.761 11.915 1.00 0.00 C ATOM 1178 O ILE A 78 -14.457 10.817 11.876 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.502 8.775 9.957 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.162 10.151 9.381 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.516 7.690 8.879 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.170 10.892 10.279 1.00 0.00 C ATOM 0 H ILE A 78 -15.142 10.164 9.799 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.974 7.804 11.107 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.712 8.517 10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.739 10.037 8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.073 10.740 9.276 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.560 7.686 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.679 6.718 9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.318 7.892 8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.946 11.867 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.605 11.026 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.251 10.312 10.362 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.112 9.352 12.952 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.020 10.154 14.160 1.00 0.00 C ATOM 1196 C ASN A 79 -11.756 11.015 14.100 1.00 0.00 C ATOM 1197 O ASN A 79 -10.742 10.679 14.710 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.929 9.267 15.404 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.466 9.996 16.637 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -12.825 10.865 17.205 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.675 9.594 17.019 1.00 0.00 N ATOM 0 H ASN A 79 -12.590 8.476 12.981 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.915 10.773 14.223 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.496 8.350 15.244 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.892 8.975 15.572 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.120 10.019 17.833 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.157 8.861 16.498 1.00 0.00 H new ATOM 1208 N THR A 80 -11.859 12.108 13.360 1.00 0.00 N ATOM 1209 CA THR A 80 -10.737 13.020 13.212 1.00 0.00 C ATOM 1210 C THR A 80 -9.972 13.142 14.531 1.00 0.00 C ATOM 1211 O THR A 80 -8.749 13.009 14.558 1.00 0.00 O ATOM 1212 CB THR A 80 -11.278 14.356 12.698 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.237 14.743 13.678 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.098 14.201 11.415 1.00 0.00 C ATOM 0 H THR A 80 -12.702 12.383 12.856 1.00 0.00 H new ATOM 0 HA THR A 80 -10.015 12.644 12.487 1.00 0.00 H new ATOM 0 HB THR A 80 -10.447 15.038 12.518 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.636 15.601 13.424 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.458 15.178 11.093 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.473 13.769 10.634 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.948 13.545 11.603 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.723 13.394 15.593 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.130 13.535 16.912 1.00 0.00 C ATOM 1224 C GLU A 81 -9.148 12.393 17.178 1.00 0.00 C ATOM 1225 O GLU A 81 -7.990 12.631 17.517 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.210 13.594 17.995 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.798 14.534 19.130 1.00 0.00 C ATOM 1228 CD GLU A 81 -11.783 14.447 20.298 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -13.000 14.492 20.019 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.295 14.337 21.444 1.00 0.00 O ATOM 0 H GLU A 81 -11.737 13.504 15.567 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.579 14.475 16.943 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.149 13.935 17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.387 12.594 18.392 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.796 14.277 19.474 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.755 15.559 18.761 1.00 0.00 H new ATOM 1237 N SER A 82 -9.647 11.176 17.014 1.00 0.00 N ATOM 1238 CA SER A 82 -8.828 9.996 17.233 1.00 0.00 C ATOM 1239 C SER A 82 -7.799 9.858 16.109 1.00 0.00 C ATOM 1240 O SER A 82 -6.698 9.356 16.329 1.00 0.00 O ATOM 1241 CB SER A 82 -9.691 8.735 17.320 1.00 0.00 C ATOM 1242 OG SER A 82 -9.459 8.013 18.526 1.00 0.00 O ATOM 0 H SER A 82 -10.608 10.982 16.732 1.00 0.00 H new ATOM 0 HA SER A 82 -8.306 10.113 18.183 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.744 9.011 17.259 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.480 8.092 16.466 1.00 0.00 H new ATOM 0 HG SER A 82 -10.029 7.216 18.545 1.00 0.00 H new ATOM 1248 N SER A 83 -8.195 10.312 14.929 1.00 0.00 N ATOM 1249 CA SER A 83 -7.320 10.245 13.770 1.00 0.00 C ATOM 1250 C SER A 83 -6.254 11.339 13.855 1.00 0.00 C ATOM 1251 O SER A 83 -6.442 12.342 14.542 1.00 0.00 O ATOM 1252 CB SER A 83 -8.117 10.380 12.471 1.00 0.00 C ATOM 1253 OG SER A 83 -9.224 9.484 12.427 1.00 0.00 O ATOM 0 H SER A 83 -9.109 10.727 14.750 1.00 0.00 H new ATOM 0 HA SER A 83 -6.831 9.271 13.766 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.476 11.404 12.371 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.461 10.188 11.622 1.00 0.00 H new ATOM 0 HG SER A 83 -9.832 9.678 13.171 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.158 11.109 13.148 1.00 0.00 N ATOM 1260 CA LEU A 84 -4.062 12.063 13.135 1.00 0.00 C ATOM 1261 C LEU A 84 -3.260 11.894 11.842 1.00 0.00 C ATOM 1262 O LEU A 84 -3.577 11.038 11.018 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.218 11.926 14.404 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.912 10.497 14.856 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.945 9.811 13.889 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.395 10.476 16.295 1.00 0.00 C ATOM 0 H LEU A 84 -5.005 10.276 12.580 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.445 13.084 13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.273 12.446 14.246 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.733 12.440 15.216 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.841 9.927 14.840 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.744 8.797 14.234 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.389 9.775 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.011 10.372 13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.185 9.448 16.591 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.481 11.067 16.362 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.149 10.898 16.959 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.237 12.725 11.706 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.387 12.678 10.528 1.00 0.00 C ATOM 1280 C TRP A 85 0.009 13.153 10.933 1.00 0.00 C ATOM 1281 O TRP A 85 0.171 14.270 11.424 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.989 13.498 9.385 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.547 14.963 9.370 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.064 15.988 10.061 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.469 15.527 8.594 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.401 17.167 9.788 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.401 16.878 8.868 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.418 14.917 7.691 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.540 17.733 8.280 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.352 15.784 7.111 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.434 17.146 7.376 1.00 0.00 C ATOM 0 H TRP A 85 -1.978 13.434 12.392 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.311 11.659 10.147 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.714 13.037 8.437 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.076 13.458 9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.895 15.902 10.745 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.607 18.082 10.188 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.382 13.862 7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.574 18.787 8.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.058 15.365 6.409 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.184 17.749 6.887 1.00 0.00 H new ATOM 1302 N SER A 86 0.983 12.282 10.713 1.00 0.00 N ATOM 1303 CA SER A 86 2.361 12.599 11.050 1.00 0.00 C ATOM 1304 C SER A 86 3.222 12.595 9.785 1.00 0.00 C ATOM 1305 O SER A 86 3.229 11.618 9.038 1.00 0.00 O ATOM 1306 CB SER A 86 2.919 11.610 12.075 1.00 0.00 C ATOM 1307 OG SER A 86 2.430 11.869 13.388 1.00 0.00 O ATOM 0 H SER A 86 0.845 11.357 10.306 1.00 0.00 H new ATOM 0 HA SER A 86 2.385 13.594 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.651 10.595 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.008 11.665 12.076 1.00 0.00 H new ATOM 0 HG SER A 86 2.808 11.215 14.013 1.00 0.00 H new ATOM 1313 N LEU A 87 3.927 13.698 9.585 1.00 0.00 N ATOM 1314 CA LEU A 87 4.790 13.834 8.424 1.00 0.00 C ATOM 1315 C LEU A 87 6.198 13.354 8.781 1.00 0.00 C ATOM 1316 O LEU A 87 6.664 13.563 9.900 1.00 0.00 O ATOM 1317 CB LEU A 87 4.746 15.267 7.889 1.00 0.00 C ATOM 1318 CG LEU A 87 5.812 15.629 6.852 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.173 15.843 7.517 1.00 0.00 C ATOM 1320 CD2 LEU A 87 5.875 14.578 5.741 1.00 0.00 C ATOM 0 H LEU A 87 3.918 14.506 10.207 1.00 0.00 H new ATOM 0 HA LEU A 87 4.435 13.203 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.765 15.439 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.840 15.952 8.732 1.00 0.00 H new ATOM 0 HG LEU A 87 5.530 16.573 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.912 16.099 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.100 16.654 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.477 14.928 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.640 14.859 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.122 13.608 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.908 14.518 5.242 1.00 0.00 H new ATOM 1332 N GLU A 88 6.837 12.720 7.809 1.00 0.00 N ATOM 1333 CA GLU A 88 8.183 12.209 8.007 1.00 0.00 C ATOM 1334 C GLU A 88 9.125 12.765 6.937 1.00 0.00 C ATOM 1335 O GLU A 88 8.780 12.796 5.757 1.00 0.00 O ATOM 1336 CB GLU A 88 8.193 10.679 8.005 1.00 0.00 C ATOM 1337 CG GLU A 88 8.064 10.128 9.426 1.00 0.00 C ATOM 1338 CD GLU A 88 9.331 9.375 9.840 1.00 0.00 C ATOM 1339 OE1 GLU A 88 10.353 10.061 10.058 1.00 0.00 O ATOM 1340 OE2 GLU A 88 9.248 8.131 9.928 1.00 0.00 O ATOM 0 H GLU A 88 6.448 12.548 6.882 1.00 0.00 H new ATOM 0 HA GLU A 88 8.537 12.541 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.373 10.307 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.117 10.318 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.879 10.946 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.204 9.460 9.484 1.00 0.00 H new ATOM 1347 N PRO A 89 10.326 13.202 7.401 1.00 0.00 N ATOM 1348 CA PRO A 89 11.321 13.755 6.497 1.00 0.00 C ATOM 1349 C PRO A 89 11.997 12.650 5.683 1.00 0.00 C ATOM 1350 O PRO A 89 12.568 11.719 6.248 1.00 0.00 O ATOM 1351 CB PRO A 89 12.289 14.511 7.393 1.00 0.00 C ATOM 1352 CG PRO A 89 12.068 13.969 8.796 1.00 0.00 C ATOM 1353 CD PRO A 89 10.769 13.180 8.792 1.00 0.00 C ATOM 0 HA PRO A 89 10.888 14.421 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.319 14.357 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.100 15.584 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.901 13.332 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.017 14.785 9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.925 12.159 9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.028 13.633 9.451 1.00 0.00 H new ATOM 1361 N GLY A 90 11.911 12.791 4.368 1.00 0.00 N ATOM 1362 CA GLY A 90 12.508 11.817 3.471 1.00 0.00 C ATOM 1363 C GLY A 90 12.008 10.405 3.783 1.00 0.00 C ATOM 1364 O GLY A 90 12.798 9.519 4.103 1.00 0.00 O ATOM 0 H GLY A 90 11.437 13.565 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.267 12.072 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.594 11.851 3.562 1.00 0.00 H new ATOM 1368 N LYS A 91 10.697 10.240 3.679 1.00 0.00 N ATOM 1369 CA LYS A 91 10.082 8.951 3.946 1.00 0.00 C ATOM 1370 C LYS A 91 8.690 8.914 3.311 1.00 0.00 C ATOM 1371 O LYS A 91 8.556 8.650 2.117 1.00 0.00 O ATOM 1372 CB LYS A 91 10.080 8.659 5.448 1.00 0.00 C ATOM 1373 CG LYS A 91 11.276 7.787 5.838 1.00 0.00 C ATOM 1374 CD LYS A 91 10.977 6.982 7.105 1.00 0.00 C ATOM 1375 CE LYS A 91 11.569 5.575 7.012 1.00 0.00 C ATOM 1376 NZ LYS A 91 12.803 5.477 7.823 1.00 0.00 N ATOM 0 H LYS A 91 10.044 10.977 3.414 1.00 0.00 H new ATOM 0 HA LYS A 91 10.663 8.150 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.111 9.596 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.153 8.156 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.518 7.108 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.152 8.416 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.388 7.497 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.899 6.918 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.839 4.843 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.790 5.335 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.192 4.515 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.503 6.162 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.582 5.685 8.818 1.00 0.00 H new ATOM 1390 N CYS A 92 7.690 9.181 4.138 1.00 0.00 N ATOM 1391 CA CYS A 92 6.314 9.181 3.672 1.00 0.00 C ATOM 1392 C CYS A 92 5.454 9.898 4.715 1.00 0.00 C ATOM 1393 O CYS A 92 5.956 10.317 5.757 1.00 0.00 O ATOM 1394 CB CYS A 92 5.811 7.764 3.394 1.00 0.00 C ATOM 1395 SG CYS A 92 6.587 6.584 4.558 1.00 0.00 S ATOM 0 H CYS A 92 7.805 9.399 5.128 1.00 0.00 H new ATOM 0 HA CYS A 92 6.249 9.711 2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.726 7.728 3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.044 7.481 2.367 1.00 0.00 H new ATOM 0 HG CYS A 92 6.694 5.420 3.989 1.00 0.00 H new ATOM 1401 N VAL A 93 4.173 10.017 4.398 1.00 0.00 N ATOM 1402 CA VAL A 93 3.238 10.676 5.294 1.00 0.00 C ATOM 1403 C VAL A 93 2.367 9.622 5.980 1.00 0.00 C ATOM 1404 O VAL A 93 1.834 8.729 5.324 1.00 0.00 O ATOM 1405 CB VAL A 93 2.423 11.718 4.526 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.161 12.106 5.300 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.270 12.951 4.206 1.00 0.00 C ATOM 0 H VAL A 93 3.761 9.668 3.533 1.00 0.00 H new ATOM 0 HA VAL A 93 3.773 11.214 6.076 1.00 0.00 H new ATOM 0 HB VAL A 93 2.113 11.271 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.600 12.848 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.542 11.222 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.441 12.525 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.666 13.676 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.624 13.400 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.124 12.657 3.596 1.00 0.00 H new ATOM 1417 N LEU A 94 2.250 9.761 7.293 1.00 0.00 N ATOM 1418 CA LEU A 94 1.452 8.832 8.075 1.00 0.00 C ATOM 1419 C LEU A 94 0.100 9.471 8.396 1.00 0.00 C ATOM 1420 O LEU A 94 0.037 10.635 8.789 1.00 0.00 O ATOM 1421 CB LEU A 94 2.225 8.374 9.314 1.00 0.00 C ATOM 1422 CG LEU A 94 1.689 7.124 10.015 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.436 7.447 10.831 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.444 5.995 9.011 1.00 0.00 C ATOM 0 H LEU A 94 2.694 10.503 7.834 1.00 0.00 H new ATOM 0 HA LEU A 94 1.249 7.928 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.259 8.189 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.237 9.193 10.033 1.00 0.00 H new ATOM 0 HG LEU A 94 2.447 6.774 10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.076 6.541 11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.677 8.195 11.587 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.339 7.836 10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.063 5.118 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.714 6.320 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.380 5.742 8.513 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.949 8.682 8.215 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.297 9.157 8.480 1.00 0.00 C ATOM 1438 C VAL A 95 -3.102 8.044 9.154 1.00 0.00 C ATOM 1439 O VAL A 95 -3.461 7.057 8.513 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.939 9.659 7.184 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.424 9.962 7.391 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.199 10.884 6.645 1.00 0.00 C ATOM 0 H VAL A 95 -0.893 7.717 7.888 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.276 10.004 9.166 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.859 8.866 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.857 10.317 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.939 9.056 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.535 10.730 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.675 11.221 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.233 11.684 7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.161 10.622 6.442 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.361 8.240 10.438 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.117 7.265 11.206 1.00 0.00 C ATOM 1454 C ASN A 96 -5.590 7.674 11.233 1.00 0.00 C ATOM 1455 O ASN A 96 -5.959 8.634 11.908 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.619 7.196 12.651 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.312 6.404 12.744 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.310 6.870 13.260 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -2.380 5.185 12.217 1.00 0.00 N ATOM 0 H ASN A 96 -3.061 9.059 10.966 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.989 6.291 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.465 8.205 13.035 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.377 6.728 13.279 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.561 4.578 12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.252 4.857 11.800 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.393 6.926 10.490 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.818 7.200 10.420 1.00 0.00 C ATOM 1468 C LEU A 97 -8.556 6.296 11.410 1.00 0.00 C ATOM 1469 O LEU A 97 -8.319 5.089 11.449 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.319 7.072 8.980 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.712 8.048 7.970 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.568 8.131 6.705 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.489 9.424 8.602 1.00 0.00 C ATOM 0 H LEU A 97 -6.084 6.131 9.931 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.022 8.230 10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.123 6.056 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.401 7.205 8.979 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.735 7.668 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.114 8.831 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.632 7.146 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.569 8.475 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.057 10.098 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.442 9.825 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.809 9.330 9.448 1.00 0.00 H new ATOM 1485 N SER A 98 -9.435 6.914 12.185 1.00 0.00 N ATOM 1486 CA SER A 98 -10.209 6.180 13.172 1.00 0.00 C ATOM 1487 C SER A 98 -11.493 5.643 12.537 1.00 0.00 C ATOM 1488 O SER A 98 -11.957 6.169 11.526 1.00 0.00 O ATOM 1489 CB SER A 98 -10.541 7.061 14.378 1.00 0.00 C ATOM 1490 OG SER A 98 -10.486 6.334 15.602 1.00 0.00 O ATOM 0 H SER A 98 -9.629 7.915 12.150 1.00 0.00 H new ATOM 0 HA SER A 98 -9.607 5.342 13.523 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.841 7.896 14.421 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.537 7.486 14.253 1.00 0.00 H new ATOM 0 HG SER A 98 -11.119 6.722 16.242 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.031 4.602 13.155 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.253 3.989 12.663 1.00 0.00 C ATOM 1498 C LYS A 99 -14.458 4.657 13.328 1.00 0.00 C ATOM 1499 O LYS A 99 -14.441 4.921 14.529 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.206 2.472 12.856 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.668 1.775 11.604 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.293 0.389 11.437 1.00 0.00 C ATOM 1503 CE LYS A 99 -13.096 -0.133 10.012 1.00 0.00 C ATOM 1504 NZ LYS A 99 -14.049 -1.229 9.725 1.00 0.00 N ATOM 0 H LYS A 99 -11.643 4.167 13.992 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.353 4.148 11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.574 2.230 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.205 2.100 13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.882 2.383 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.584 1.683 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.844 -0.305 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.357 0.436 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.240 0.678 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.074 -0.490 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.579 -1.956 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.372 -1.651 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.867 -0.851 9.206 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.475 4.910 12.518 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.686 5.542 13.013 1.00 0.00 C ATOM 1520 C VAL A 100 -17.893 4.673 12.653 1.00 0.00 C ATOM 1521 O VAL A 100 -18.478 4.830 11.582 1.00 0.00 O ATOM 1522 CB VAL A 100 -16.792 6.968 12.468 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -18.214 7.512 12.628 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -15.774 7.889 13.143 1.00 0.00 C ATOM 0 H VAL A 100 -15.485 4.689 11.522 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.657 5.625 14.099 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.563 6.938 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.262 8.527 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -18.910 6.876 12.081 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -18.484 7.521 13.684 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -15.870 8.896 12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -15.959 7.911 14.217 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.767 7.517 12.956 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.231 3.777 13.568 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.357 2.883 13.360 1.00 0.00 C ATOM 1536 C GLY A 101 -18.924 1.618 12.615 1.00 0.00 C ATOM 1537 O GLY A 101 -17.960 1.643 11.852 1.00 0.00 O ATOM 0 H GLY A 101 -17.745 3.651 14.456 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -19.793 2.612 14.322 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.133 3.396 12.792 1.00 0.00 H new ATOM 1541 N GLU A 102 -19.658 0.544 12.863 1.00 0.00 N ATOM 1542 CA GLU A 102 -19.362 -0.728 12.226 1.00 0.00 C ATOM 1543 C GLU A 102 -19.632 -0.644 10.722 1.00 0.00 C ATOM 1544 O GLU A 102 -20.760 -0.851 10.278 1.00 0.00 O ATOM 1545 CB GLU A 102 -20.167 -1.862 12.865 1.00 0.00 C ATOM 1546 CG GLU A 102 -21.663 -1.545 12.855 1.00 0.00 C ATOM 1547 CD GLU A 102 -22.480 -2.768 12.431 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -22.632 -2.950 11.204 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -22.933 -3.492 13.343 1.00 0.00 O ATOM 0 H GLU A 102 -20.457 0.528 13.496 1.00 0.00 H new ATOM 0 HA GLU A 102 -18.305 -0.949 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.985 -2.791 12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.832 -2.018 13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.976 -1.220 13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -21.859 -0.718 12.172 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.578 -0.340 9.980 1.00 0.00 N ATOM 1557 CA TYR A 103 -18.687 -0.226 8.536 1.00 0.00 C ATOM 1558 C TYR A 103 -17.615 -1.065 7.837 1.00 0.00 C ATOM 1559 O TYR A 103 -16.571 -1.354 8.419 1.00 0.00 O ATOM 1560 CB TYR A 103 -18.453 1.251 8.211 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.639 2.158 8.549 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -20.847 1.982 7.906 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -19.499 3.151 9.497 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -21.962 2.836 8.224 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -20.615 4.004 9.815 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.791 3.804 9.163 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.845 4.610 9.464 1.00 0.00 O ATOM 0 H TYR A 103 -17.644 -0.169 10.352 1.00 0.00 H new ATOM 0 HA TYR A 103 -19.660 -0.581 8.196 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -17.576 1.598 8.757 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -18.226 1.347 7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -20.956 1.204 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -18.553 3.288 10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -22.913 2.710 7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -20.520 4.785 10.555 1.00 0.00 H new ATOM 0 HH TYR A 103 -22.578 5.254 10.152 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.911 -1.432 6.599 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.986 -2.233 5.815 1.00 0.00 C ATOM 1579 C TRP A 104 -16.208 -1.290 4.895 1.00 0.00 C ATOM 1580 O TRP A 104 -16.736 -0.826 3.885 1.00 0.00 O ATOM 1581 CB TRP A 104 -17.725 -3.336 5.054 1.00 0.00 C ATOM 1582 CG TRP A 104 -16.904 -3.975 3.932 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.043 -3.807 2.610 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -15.804 -4.896 4.088 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -16.118 -4.549 1.905 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -15.340 -5.232 2.833 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -15.221 -5.427 5.252 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -14.272 -6.112 2.621 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -14.154 -6.305 5.023 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -13.675 -6.654 3.766 1.00 0.00 C ATOM 0 H TRP A 104 -18.778 -1.190 6.119 1.00 0.00 H new ATOM 0 HA TRP A 104 -16.278 -2.751 6.463 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -18.024 -4.112 5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -18.639 -2.921 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.786 -3.170 2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.023 -4.589 0.890 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.568 -5.178 6.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -13.927 -6.360 1.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -13.669 -6.741 5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -12.846 -7.340 3.673 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.965 -1.035 5.276 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.109 -0.156 4.498 1.00 0.00 C ATOM 1603 C TRP A 105 -13.549 -0.961 3.323 1.00 0.00 C ATOM 1604 O TRP A 105 -12.529 -1.636 3.458 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.018 0.462 5.373 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.482 1.673 6.184 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.325 1.695 7.226 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.094 3.048 5.976 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.507 2.977 7.703 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.735 3.826 6.919 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.230 3.615 5.023 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.579 5.215 7.001 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.085 5.004 5.118 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -12.723 5.801 6.061 1.00 0.00 C ATOM 0 H TRP A 105 -14.530 -1.422 6.114 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.677 0.687 4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.642 -0.298 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.184 0.761 4.739 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.802 0.819 7.640 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.099 3.251 8.487 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.719 3.025 4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.091 5.802 7.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.432 5.490 4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.559 6.868 6.069 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.240 -0.863 2.197 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.824 -1.573 0.999 1.00 0.00 C ATOM 1627 C ASN A 106 -12.750 -0.758 0.275 1.00 0.00 C ATOM 1628 O ASN A 106 -12.152 -1.231 -0.690 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.998 -1.767 0.038 1.00 0.00 C ATOM 1630 CG ASN A 106 -15.775 -0.462 -0.149 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -15.252 0.542 -0.605 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -17.048 -0.532 0.227 1.00 0.00 N ATOM 0 H ASN A 106 -15.085 -0.303 2.089 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.440 -2.548 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.629 -2.116 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.664 -2.539 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.651 0.286 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.422 -1.404 0.601 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.538 0.453 0.769 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.547 1.339 0.181 1.00 0.00 C ATOM 1641 C ALA A 107 -11.424 2.600 1.038 1.00 0.00 C ATOM 1642 O ALA A 107 -12.176 2.780 1.995 1.00 0.00 O ATOM 1643 CB ALA A 107 -11.935 1.652 -1.265 1.00 0.00 C ATOM 0 H ALA A 107 -13.036 0.842 1.570 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.569 0.859 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.192 2.316 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.979 0.726 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.911 2.137 -1.283 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.472 3.441 0.663 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.241 4.681 1.386 1.00 0.00 C ATOM 1651 C ILE A 108 -11.150 5.773 0.819 1.00 0.00 C ATOM 1652 O ILE A 108 -11.951 6.358 1.546 1.00 0.00 O ATOM 1653 CB ILE A 108 -8.755 5.045 1.364 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -7.902 3.901 1.916 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.502 6.359 2.106 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.096 3.752 3.426 1.00 0.00 C ATOM 0 H ILE A 108 -9.851 3.289 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.501 4.563 2.438 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.456 5.198 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.170 2.969 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.851 4.088 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.438 6.595 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.065 7.161 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.822 6.259 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.479 2.932 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.804 4.677 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.144 3.541 3.639 1.00 0.00 H new ATOM 1668 N LEU A 109 -10.995 6.015 -0.475 1.00 0.00 N ATOM 1669 CA LEU A 109 -11.792 7.026 -1.148 1.00 0.00 C ATOM 1670 C LEU A 109 -12.938 6.349 -1.901 1.00 0.00 C ATOM 1671 O LEU A 109 -12.913 5.138 -2.119 1.00 0.00 O ATOM 1672 CB LEU A 109 -10.907 7.904 -2.035 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.620 8.426 -1.392 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -8.771 9.192 -2.408 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -9.930 9.268 -0.152 1.00 0.00 C ATOM 0 H LEU A 109 -10.329 5.528 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.243 7.701 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.640 7.334 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.495 8.759 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.031 7.570 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.863 9.552 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.506 8.531 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.339 10.040 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.999 9.627 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.549 10.119 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.463 8.659 0.578 1.00 0.00 H new ATOM 1687 N GLU A 110 -13.916 7.159 -2.279 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.070 6.652 -3.003 1.00 0.00 C ATOM 1689 C GLU A 110 -14.682 6.304 -4.442 1.00 0.00 C ATOM 1690 O GLU A 110 -15.389 5.557 -5.116 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.221 7.660 -2.975 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.042 7.516 -1.692 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.465 8.045 -1.890 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -18.634 9.277 -1.769 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.350 7.204 -2.158 1.00 0.00 O ATOM 0 H GLU A 110 -13.933 8.163 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.414 5.743 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.824 8.673 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.864 7.508 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.078 6.468 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.557 8.061 -0.882 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.559 6.863 -4.870 1.00 0.00 N ATOM 1703 CA GLY A 111 -13.068 6.621 -6.216 1.00 0.00 C ATOM 1704 C GLY A 111 -11.983 5.542 -6.219 1.00 0.00 C ATOM 1705 O GLY A 111 -11.131 5.516 -7.105 1.00 0.00 O ATOM 0 H GLY A 111 -12.975 7.483 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.893 6.313 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.668 7.545 -6.632 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.051 4.677 -5.217 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.085 3.599 -5.093 1.00 0.00 C ATOM 1711 C GLU A 112 -11.769 2.247 -5.304 1.00 0.00 C ATOM 1712 O GLU A 112 -12.888 2.034 -4.840 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.378 3.650 -3.737 1.00 0.00 C ATOM 1714 CG GLU A 112 -8.914 3.226 -3.866 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.783 1.701 -3.866 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.821 1.128 -2.756 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.648 1.144 -4.977 1.00 0.00 O ATOM 0 H GLU A 112 -12.760 4.701 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.327 3.725 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.433 4.660 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.889 2.995 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.494 3.631 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -8.336 3.644 -3.042 1.00 0.00 H new ATOM 1724 N GLU A 113 -11.068 1.368 -6.005 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.593 0.042 -6.283 1.00 0.00 C ATOM 1726 C GLU A 113 -11.878 -0.701 -4.976 1.00 0.00 C ATOM 1727 O GLU A 113 -11.156 -0.536 -3.994 1.00 0.00 O ATOM 1728 CB GLU A 113 -10.632 -0.754 -7.169 1.00 0.00 C ATOM 1729 CG GLU A 113 -10.525 -0.129 -8.561 1.00 0.00 C ATOM 1730 CD GLU A 113 -9.691 -1.009 -9.494 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -10.233 -2.047 -9.931 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -8.529 -0.625 -9.749 1.00 0.00 O ATOM 0 H GLU A 113 -10.140 1.548 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.531 0.151 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.646 -0.787 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.979 -1.784 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.522 0.008 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.072 0.859 -8.486 1.00 0.00 H new ATOM 1739 N PRO A 114 -12.960 -1.525 -5.008 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.349 -2.294 -3.838 1.00 0.00 C ATOM 1741 C PRO A 114 -12.408 -3.481 -3.625 1.00 0.00 C ATOM 1742 O PRO A 114 -12.320 -4.368 -4.472 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.785 -2.714 -4.104 1.00 0.00 C ATOM 1744 CG PRO A 114 -14.993 -2.565 -5.602 1.00 0.00 C ATOM 1745 CD PRO A 114 -13.838 -1.744 -6.153 1.00 0.00 C ATOM 0 HA PRO A 114 -13.281 -1.719 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.956 -3.743 -3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.484 -2.089 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.029 -3.543 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -15.944 -2.073 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.321 -2.275 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -14.187 -0.800 -6.571 1.00 0.00 H new ATOM 1753 N ILE A 115 -11.728 -3.459 -2.488 1.00 0.00 N ATOM 1754 CA ILE A 115 -10.797 -4.523 -2.152 1.00 0.00 C ATOM 1755 C ILE A 115 -11.477 -5.877 -2.367 1.00 0.00 C ATOM 1756 O ILE A 115 -12.703 -5.965 -2.375 1.00 0.00 O ATOM 1757 CB ILE A 115 -10.248 -4.328 -0.737 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.380 -4.302 0.291 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.371 -3.077 -0.657 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.826 -4.253 1.716 1.00 0.00 C ATOM 0 H ILE A 115 -11.803 -2.721 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.930 -4.493 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.614 -5.181 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.016 -3.435 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.006 -5.186 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.994 -2.962 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.533 -3.176 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.961 -2.201 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.652 -4.235 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.210 -5.134 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.221 -3.355 1.840 1.00 0.00 H new ATOM 1772 N ASP A 116 -10.650 -6.898 -2.536 1.00 0.00 N ATOM 1773 CA ASP A 116 -11.156 -8.243 -2.751 1.00 0.00 C ATOM 1774 C ASP A 116 -11.287 -8.955 -1.403 1.00 0.00 C ATOM 1775 O ASP A 116 -10.464 -9.802 -1.061 1.00 0.00 O ATOM 1776 CB ASP A 116 -10.200 -9.058 -3.624 1.00 0.00 C ATOM 1777 CG ASP A 116 -9.602 -8.299 -4.810 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -8.540 -7.672 -4.605 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -10.219 -8.363 -5.895 1.00 0.00 O ATOM 0 H ASP A 116 -9.633 -6.821 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.122 -8.164 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.386 -9.426 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.732 -9.931 -4.002 1.00 0.00 H new ATOM 1784 N ILE A 117 -12.329 -8.584 -0.673 1.00 0.00 N ATOM 1785 CA ILE A 117 -12.579 -9.176 0.630 1.00 0.00 C ATOM 1786 C ILE A 117 -11.270 -9.231 1.420 1.00 0.00 C ATOM 1787 O ILE A 117 -10.270 -8.641 1.013 1.00 0.00 O ATOM 1788 CB ILE A 117 -13.263 -10.537 0.478 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -14.103 -10.588 -0.800 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -14.087 -10.878 1.721 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -15.265 -9.594 -0.733 1.00 0.00 C ATOM 0 H ILE A 117 -13.010 -7.881 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 117 -13.272 -8.559 1.202 1.00 0.00 H new ATOM 0 HB ILE A 117 -12.490 -11.300 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -13.475 -10.361 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -14.490 -11.597 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -14.562 -11.850 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -13.434 -10.911 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -14.853 -10.117 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -15.846 -9.651 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -15.905 -9.838 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -14.873 -8.584 -0.613 1.00 0.00 H new ATOM 1803 N ASP A 118 -11.319 -9.944 2.536 1.00 0.00 N ATOM 1804 CA ASP A 118 -10.149 -10.083 3.387 1.00 0.00 C ATOM 1805 C ASP A 118 -10.549 -10.788 4.684 1.00 0.00 C ATOM 1806 O ASP A 118 -11.592 -10.486 5.263 1.00 0.00 O ATOM 1807 CB ASP A 118 -9.567 -8.716 3.751 1.00 0.00 C ATOM 1808 CG ASP A 118 -8.165 -8.443 3.203 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -7.996 -8.598 1.974 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -7.294 -8.086 4.025 1.00 0.00 O ATOM 0 H ASP A 118 -12.150 -10.431 2.871 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.401 -10.659 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.241 -7.942 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.540 -8.627 4.837 1.00 0.00 H new ATOM 1815 N SER A 119 -9.699 -11.714 5.104 1.00 0.00 N ATOM 1816 CA SER A 119 -9.951 -12.464 6.323 1.00 0.00 C ATOM 1817 C SER A 119 -8.763 -13.378 6.629 1.00 0.00 C ATOM 1818 O SER A 119 -8.814 -14.578 6.362 1.00 0.00 O ATOM 1819 CB SER A 119 -11.237 -13.284 6.209 1.00 0.00 C ATOM 1820 OG SER A 119 -12.359 -12.596 6.754 1.00 0.00 O ATOM 0 H SER A 119 -8.835 -11.962 4.622 1.00 0.00 H new ATOM 0 HA SER A 119 -10.076 -11.755 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 119 -11.428 -13.515 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 119 -11.108 -14.234 6.727 1.00 0.00 H new ATOM 0 HG SER A 119 -12.394 -11.687 6.389 1.00 0.00 H new ATOM 1826 N GLY A 120 -7.722 -12.776 7.185 1.00 0.00 N ATOM 1827 CA GLY A 120 -6.524 -13.522 7.531 1.00 0.00 C ATOM 1828 C GLY A 120 -5.349 -13.116 6.638 1.00 0.00 C ATOM 1829 O GLY A 120 -5.502 -12.285 5.744 1.00 0.00 O ATOM 0 H GLY A 120 -7.683 -11.781 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.270 -13.345 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.713 -14.590 7.426 1.00 0.00 H new ATOM 1833 N PRO A 121 -4.173 -13.739 6.918 1.00 0.00 N ATOM 1834 CA PRO A 121 -2.973 -13.451 6.150 1.00 0.00 C ATOM 1835 C PRO A 121 -3.033 -14.111 4.771 1.00 0.00 C ATOM 1836 O PRO A 121 -3.905 -14.939 4.513 1.00 0.00 O ATOM 1837 CB PRO A 121 -1.826 -13.966 7.005 1.00 0.00 C ATOM 1838 CG PRO A 121 -2.449 -14.934 7.998 1.00 0.00 C ATOM 1839 CD PRO A 121 -3.954 -14.728 7.969 1.00 0.00 C ATOM 0 HA PRO A 121 -2.852 -12.388 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -1.075 -14.465 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -1.324 -13.147 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -2.199 -15.962 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -2.059 -14.756 9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -4.477 -15.659 7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -4.323 -14.372 8.931 1.00 0.00 H new ATOM 1847 N SER A 122 -2.095 -13.718 3.921 1.00 0.00 N ATOM 1848 CA SER A 122 -2.031 -14.261 2.575 1.00 0.00 C ATOM 1849 C SER A 122 -2.159 -15.785 2.618 1.00 0.00 C ATOM 1850 O SER A 122 -3.065 -16.353 2.011 1.00 0.00 O ATOM 1851 CB SER A 122 -0.729 -13.858 1.880 1.00 0.00 C ATOM 1852 OG SER A 122 -0.871 -13.815 0.463 1.00 0.00 O ATOM 0 H SER A 122 -1.374 -13.030 4.139 1.00 0.00 H new ATOM 0 HA SER A 122 -2.861 -13.849 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.412 -12.880 2.242 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.057 -14.566 2.144 1.00 0.00 H new ATOM 0 HG SER A 122 -0.019 -13.552 0.057 1.00 0.00 H new ATOM 1858 N SER A 123 -1.239 -16.404 3.343 1.00 0.00 N ATOM 1859 CA SER A 123 -1.237 -17.851 3.474 1.00 0.00 C ATOM 1860 C SER A 123 -0.086 -18.294 4.380 1.00 0.00 C ATOM 1861 O SER A 123 1.033 -17.798 4.255 1.00 0.00 O ATOM 1862 CB SER A 123 -1.126 -18.528 2.106 1.00 0.00 C ATOM 1863 OG SER A 123 -1.918 -19.709 2.029 1.00 0.00 O ATOM 0 H SER A 123 -0.489 -15.929 3.846 1.00 0.00 H new ATOM 0 HA SER A 123 -2.182 -18.154 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 123 -1.440 -17.830 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.083 -18.777 1.908 1.00 0.00 H new ATOM 0 HG SER A 123 -1.821 -20.110 1.140 1.00 0.00 H new ATOM 1869 N GLY A 124 -0.401 -19.221 5.272 1.00 0.00 N ATOM 1870 CA GLY A 124 0.593 -19.736 6.198 1.00 0.00 C ATOM 1871 C GLY A 124 1.337 -20.930 5.597 1.00 0.00 C ATOM 1872 O GLY A 124 0.772 -22.015 5.465 1.00 0.00 O ATOM 0 H GLY A 124 -1.330 -19.629 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 124 1.304 -18.949 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.109 -20.035 7.127 1.00 0.00 H new TER 1876 GLY A 124