USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 64 HIS : no HD1:sc= 0.239 K(o=0.35,f=-4.3!) USER MOD Set 1.2: A 79 THR OG1 : rot -36:sc= 0.106 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 155:sc= 1.24 (180deg=-0.0372) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.503 K(o=1.7,f=-4.8) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 0.743 (180deg=-0.0309) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.0532 USER MOD Single : A 15 MET CE :methyl -107:sc= -0.166 (180deg=-2.09!) USER MOD Single : A 22 SER OG : rot -46:sc= 0.327 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 0.689 (180deg=0.393) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0.0706 USER MOD Single : A 41 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 177:sc= 0 (180deg=-0.0194) USER MOD Single : A 44 ASN : amide:sc= -3.86! C(o=-3.9!,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0.889 (180deg=0.889) USER MOD Single : A 49 MET CE :methyl -135:sc= -0.204 (180deg=-2.04) USER MOD Single : A 51 TYR OH : rot -87:sc= 0.297 USER MOD Single : A 56 MET CE :methyl 174:sc= -1.12 (180deg=-1.14) USER MOD Single : A 59 SER OG : rot 32:sc= 0.122 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 63 THR OG1 : rot -24:sc= 0.0854 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0857) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0.315 (180deg=0.287) USER MOD Single : A 87 SER OG : rot 77:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.389 1.065 1.458 1.00 0.00 N ATOM 40 CA GLU A 4 11.880 0.827 2.825 1.00 0.00 C ATOM 41 C GLU A 4 10.946 1.961 3.288 1.00 0.00 C ATOM 42 O GLU A 4 10.090 1.738 4.142 1.00 0.00 O ATOM 43 CB GLU A 4 13.044 0.660 3.837 1.00 0.00 C ATOM 44 CG GLU A 4 13.917 1.924 4.053 1.00 0.00 C ATOM 45 CD GLU A 4 14.890 1.777 5.236 1.00 0.00 C ATOM 46 OE1 GLU A 4 14.410 1.597 6.375 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.126 1.824 5.041 1.00 0.00 O ATOM 0 HA GLU A 4 11.307 -0.100 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.628 0.356 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.686 -0.152 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.484 2.129 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.269 2.783 4.225 1.00 0.00 H new ATOM 54 N GLU A 5 11.144 3.178 2.726 1.00 0.00 N ATOM 55 CA GLU A 5 10.253 4.320 2.967 1.00 0.00 C ATOM 56 C GLU A 5 8.861 4.017 2.432 1.00 0.00 C ATOM 57 O GLU A 5 7.915 4.028 3.206 1.00 0.00 O ATOM 58 CB GLU A 5 10.817 5.636 2.352 1.00 0.00 C ATOM 59 CG GLU A 5 11.943 6.295 3.178 1.00 0.00 C ATOM 60 CD GLU A 5 11.420 7.011 4.435 1.00 0.00 C ATOM 61 OE1 GLU A 5 11.121 6.342 5.444 1.00 0.00 O ATOM 62 OE2 GLU A 5 11.294 8.253 4.418 1.00 0.00 O ATOM 0 H GLU A 5 11.921 3.386 2.099 1.00 0.00 H new ATOM 0 HA GLU A 5 10.189 4.477 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.194 5.423 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.000 6.349 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.664 5.533 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.475 7.012 2.552 1.00 0.00 H new ATOM 69 N VAL A 6 8.761 3.679 1.128 1.00 0.00 N ATOM 70 CA VAL A 6 7.459 3.397 0.469 1.00 0.00 C ATOM 71 C VAL A 6 6.691 2.286 1.220 1.00 0.00 C ATOM 72 O VAL A 6 5.511 2.456 1.528 1.00 0.00 O ATOM 73 CB VAL A 6 7.622 2.992 -1.048 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.242 2.740 -1.721 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.443 4.050 -1.834 1.00 0.00 C ATOM 0 H VAL A 6 9.566 3.594 0.507 1.00 0.00 H new ATOM 0 HA VAL A 6 6.889 4.325 0.506 1.00 0.00 H new ATOM 0 HB VAL A 6 8.179 2.055 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.391 2.463 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.726 1.932 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.641 3.648 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.536 3.739 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.935 5.013 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.436 4.141 -1.393 1.00 0.00 H new ATOM 85 N LYS A 7 7.392 1.184 1.557 1.00 0.00 N ATOM 86 CA LYS A 7 6.773 0.053 2.279 1.00 0.00 C ATOM 87 C LYS A 7 6.316 0.466 3.693 1.00 0.00 C ATOM 88 O LYS A 7 5.120 0.397 3.996 1.00 0.00 O ATOM 89 CB LYS A 7 7.702 -1.202 2.359 1.00 0.00 C ATOM 90 CG LYS A 7 7.784 -2.060 1.055 1.00 0.00 C ATOM 91 CD LYS A 7 9.013 -1.740 0.180 1.00 0.00 C ATOM 92 CE LYS A 7 10.339 -2.094 0.874 1.00 0.00 C ATOM 93 NZ LYS A 7 10.507 -3.551 1.082 1.00 0.00 N ATOM 0 H LYS A 7 8.381 1.053 1.343 1.00 0.00 H new ATOM 0 HA LYS A 7 5.898 -0.228 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.708 -0.873 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.354 -1.839 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.806 -3.116 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.879 -1.901 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.940 -2.290 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.010 -0.679 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.169 -1.719 0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.386 -1.586 1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.520 -3.778 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.034 -3.832 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.085 -4.067 0.284 1.00 0.00 H new ATOM 107 N GLU A 8 7.268 0.908 4.540 1.00 0.00 N ATOM 108 CA GLU A 8 7.010 1.185 5.963 1.00 0.00 C ATOM 109 C GLU A 8 5.967 2.300 6.161 1.00 0.00 C ATOM 110 O GLU A 8 5.199 2.239 7.112 1.00 0.00 O ATOM 111 CB GLU A 8 8.322 1.524 6.721 1.00 0.00 C ATOM 112 CG GLU A 8 8.227 1.219 8.220 1.00 0.00 C ATOM 113 CD GLU A 8 9.442 1.657 9.052 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.539 1.092 8.861 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.293 2.530 9.940 1.00 0.00 O ATOM 0 H GLU A 8 8.232 1.081 4.256 1.00 0.00 H new ATOM 0 HA GLU A 8 6.595 0.271 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.145 0.955 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.556 2.579 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.338 1.707 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.086 0.146 8.348 1.00 0.00 H new ATOM 122 N LYS A 9 5.944 3.284 5.240 1.00 0.00 N ATOM 123 CA LYS A 9 4.919 4.356 5.207 1.00 0.00 C ATOM 124 C LYS A 9 3.510 3.759 5.114 1.00 0.00 C ATOM 125 O LYS A 9 2.665 3.988 5.989 1.00 0.00 O ATOM 126 CB LYS A 9 5.146 5.311 3.998 1.00 0.00 C ATOM 127 CG LYS A 9 6.227 6.385 4.205 1.00 0.00 C ATOM 128 CD LYS A 9 6.420 7.255 2.940 1.00 0.00 C ATOM 129 CE LYS A 9 7.450 8.367 3.147 1.00 0.00 C ATOM 130 NZ LYS A 9 7.063 9.257 4.271 1.00 0.00 N ATOM 0 H LYS A 9 6.636 3.361 4.495 1.00 0.00 H new ATOM 0 HA LYS A 9 5.013 4.923 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.414 4.712 3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.204 5.807 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.951 7.022 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.171 5.906 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.736 6.621 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.465 7.697 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.427 7.928 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.545 8.953 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.411 10.220 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.027 9.274 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.480 8.901 5.155 1.00 0.00 H new ATOM 144 N ILE A 10 3.282 2.995 4.034 1.00 0.00 N ATOM 145 CA ILE A 10 1.976 2.395 3.738 1.00 0.00 C ATOM 146 C ILE A 10 1.555 1.450 4.877 1.00 0.00 C ATOM 147 O ILE A 10 0.428 1.542 5.369 1.00 0.00 O ATOM 148 CB ILE A 10 2.010 1.638 2.360 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.401 2.627 1.214 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.658 0.933 2.048 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.676 1.976 -0.131 1.00 0.00 C ATOM 0 H ILE A 10 4.000 2.777 3.343 1.00 0.00 H new ATOM 0 HA ILE A 10 1.236 3.192 3.662 1.00 0.00 H new ATOM 0 HB ILE A 10 2.767 0.857 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.597 3.353 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.288 3.182 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.727 0.423 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.438 0.206 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.139 1.676 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.939 2.743 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.502 1.271 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.785 1.446 -0.468 1.00 0.00 H new ATOM 163 N ARG A 11 2.518 0.620 5.349 1.00 0.00 N ATOM 164 CA ARG A 11 2.262 -0.407 6.384 1.00 0.00 C ATOM 165 C ARG A 11 2.000 0.239 7.741 1.00 0.00 C ATOM 166 O ARG A 11 1.254 -0.317 8.542 1.00 0.00 O ATOM 167 CB ARG A 11 3.394 -1.492 6.426 1.00 0.00 C ATOM 168 CG ARG A 11 4.605 -1.313 7.393 1.00 0.00 C ATOM 169 CD ARG A 11 4.364 -1.919 8.797 1.00 0.00 C ATOM 170 NE ARG A 11 5.595 -2.478 9.401 1.00 0.00 N ATOM 171 CZ ARG A 11 6.462 -1.810 10.156 1.00 0.00 C ATOM 172 NH1 ARG A 11 6.270 -0.528 10.405 1.00 0.00 N ATOM 173 NH2 ARG A 11 7.508 -2.440 10.667 1.00 0.00 N ATOM 0 H ARG A 11 3.485 0.644 5.025 1.00 0.00 H new ATOM 0 HA ARG A 11 1.353 -0.942 6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.922 -2.444 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.795 -1.583 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.486 -1.778 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.824 -0.250 7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.959 -1.150 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.612 -2.704 8.724 1.00 0.00 H new ATOM 0 HE ARG A 11 5.795 -3.462 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.456 -0.050 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.935 -0.016 10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.646 -3.433 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.176 -1.932 11.247 1.00 0.00 H new ATOM 187 N ARG A 12 2.598 1.423 7.969 1.00 0.00 N ATOM 188 CA ARG A 12 2.356 2.224 9.179 1.00 0.00 C ATOM 189 C ARG A 12 0.871 2.579 9.239 1.00 0.00 C ATOM 190 O ARG A 12 0.189 2.288 10.217 1.00 0.00 O ATOM 191 CB ARG A 12 3.239 3.535 9.180 1.00 0.00 C ATOM 192 CG ARG A 12 4.318 3.629 10.278 1.00 0.00 C ATOM 193 CD ARG A 12 5.278 2.444 10.264 1.00 0.00 C ATOM 194 NE ARG A 12 6.338 2.568 11.275 1.00 0.00 N ATOM 195 CZ ARG A 12 6.238 2.178 12.561 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.127 1.629 13.034 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.258 2.342 13.381 1.00 0.00 N ATOM 0 H ARG A 12 3.260 1.849 7.320 1.00 0.00 H new ATOM 0 HA ARG A 12 2.635 1.643 10.058 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.729 3.618 8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.576 4.395 9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.884 4.551 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.834 3.688 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.719 1.525 10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.730 2.358 9.276 1.00 0.00 H new ATOM 0 HE ARG A 12 7.221 2.983 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.324 1.494 12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.076 1.342 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.122 2.764 13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.182 2.047 14.354 1.00 0.00 H new ATOM 211 N TYR A 13 0.390 3.129 8.121 1.00 0.00 N ATOM 212 CA TYR A 13 -0.983 3.615 7.977 1.00 0.00 C ATOM 213 C TYR A 13 -2.019 2.467 8.029 1.00 0.00 C ATOM 214 O TYR A 13 -3.186 2.687 8.375 1.00 0.00 O ATOM 215 CB TYR A 13 -1.088 4.389 6.654 1.00 0.00 C ATOM 216 CG TYR A 13 -2.419 5.112 6.471 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.820 6.112 7.363 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.272 4.799 5.422 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.024 6.756 7.211 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.465 5.442 5.270 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.842 6.418 6.159 1.00 0.00 C ATOM 222 OH TYR A 13 -6.057 7.036 6.009 1.00 0.00 O ATOM 0 H TYR A 13 0.952 3.251 7.279 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.213 4.271 8.816 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.279 5.118 6.604 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.944 3.696 5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.173 6.382 8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.987 4.034 4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.325 7.521 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.115 5.183 4.448 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.147 7.362 5.089 1.00 0.00 H new ATOM 232 N ILE A 14 -1.586 1.244 7.676 1.00 0.00 N ATOM 233 CA ILE A 14 -2.424 0.033 7.795 1.00 0.00 C ATOM 234 C ILE A 14 -2.642 -0.321 9.275 1.00 0.00 C ATOM 235 O ILE A 14 -3.690 -0.822 9.646 1.00 0.00 O ATOM 236 CB ILE A 14 -1.771 -1.174 7.030 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.621 -0.826 5.519 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.561 -2.502 7.215 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.646 -1.699 4.780 1.00 0.00 C ATOM 0 H ILE A 14 -0.654 1.065 7.303 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.393 0.239 7.340 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.785 -1.339 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.597 -0.905 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.304 0.213 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.064 -3.301 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.598 -2.759 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.576 -2.378 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.601 -1.391 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.342 -1.603 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.971 -2.738 4.838 1.00 0.00 H new ATOM 251 N MET A 15 -1.637 -0.041 10.102 1.00 0.00 N ATOM 252 CA MET A 15 -1.672 -0.320 11.552 1.00 0.00 C ATOM 253 C MET A 15 -2.399 0.801 12.321 1.00 0.00 C ATOM 254 O MET A 15 -2.909 0.567 13.422 1.00 0.00 O ATOM 255 CB MET A 15 -0.217 -0.490 12.045 1.00 0.00 C ATOM 256 CG MET A 15 0.560 -1.537 11.240 1.00 0.00 C ATOM 257 SD MET A 15 2.334 -1.517 11.536 1.00 0.00 S ATOM 258 CE MET A 15 2.385 -2.150 13.190 1.00 0.00 C ATOM 0 H MET A 15 -0.766 0.389 9.791 1.00 0.00 H new ATOM 0 HA MET A 15 -2.233 -1.236 11.738 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.299 0.468 11.981 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.225 -0.778 13.096 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.173 -2.527 11.481 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.377 -1.373 10.178 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.626 -1.342 13.881 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.414 -2.571 13.448 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.147 -2.926 13.259 1.00 0.00 H new ATOM 268 N GLU A 16 -2.430 2.010 11.724 1.00 0.00 N ATOM 269 CA GLU A 16 -3.103 3.193 12.300 1.00 0.00 C ATOM 270 C GLU A 16 -4.607 3.192 11.968 1.00 0.00 C ATOM 271 O GLU A 16 -5.456 3.134 12.864 1.00 0.00 O ATOM 272 CB GLU A 16 -2.447 4.499 11.757 1.00 0.00 C ATOM 273 CG GLU A 16 -0.925 4.615 11.973 1.00 0.00 C ATOM 274 CD GLU A 16 -0.505 4.758 13.444 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.429 3.744 14.158 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.227 5.891 13.887 1.00 0.00 O ATOM 0 H GLU A 16 -1.987 2.194 10.824 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.989 3.151 13.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.652 4.571 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.930 5.353 12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.442 3.733 11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.555 5.476 11.416 1.00 0.00 H new ATOM 283 N ASP A 17 -4.906 3.259 10.659 1.00 0.00 N ATOM 284 CA ASP A 17 -6.271 3.466 10.128 1.00 0.00 C ATOM 285 C ASP A 17 -6.997 2.133 9.857 1.00 0.00 C ATOM 286 O ASP A 17 -8.033 1.853 10.476 1.00 0.00 O ATOM 287 CB ASP A 17 -6.196 4.313 8.826 1.00 0.00 C ATOM 288 CG ASP A 17 -7.558 4.503 8.124 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.388 5.277 8.635 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.797 3.886 7.066 1.00 0.00 O ATOM 0 H ASP A 17 -4.200 3.170 9.928 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.849 3.997 10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.782 5.292 9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.504 3.835 8.132 1.00 0.00 H new ATOM 295 N LEU A 18 -6.437 1.327 8.927 1.00 0.00 N ATOM 296 CA LEU A 18 -7.093 0.109 8.379 1.00 0.00 C ATOM 297 C LEU A 18 -7.402 -0.909 9.499 1.00 0.00 C ATOM 298 O LEU A 18 -8.526 -1.397 9.624 1.00 0.00 O ATOM 299 CB LEU A 18 -6.204 -0.545 7.266 1.00 0.00 C ATOM 300 CG LEU A 18 -6.111 0.209 5.882 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.489 1.625 5.977 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.369 -0.660 4.841 1.00 0.00 C ATOM 0 H LEU A 18 -5.513 1.500 8.531 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.039 0.411 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.194 -0.653 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.582 -1.550 7.079 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.138 0.366 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.460 2.077 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.093 2.244 6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.476 1.552 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.314 -0.125 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.361 -0.872 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.908 -1.596 4.698 1.00 0.00 H new ATOM 314 N ILE A 19 -6.384 -1.185 10.313 1.00 0.00 N ATOM 315 CA ILE A 19 -6.461 -2.056 11.499 1.00 0.00 C ATOM 316 C ILE A 19 -6.197 -1.183 12.742 1.00 0.00 C ATOM 317 O ILE A 19 -5.665 -0.072 12.614 1.00 0.00 O ATOM 318 CB ILE A 19 -5.383 -3.219 11.446 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.261 -3.832 10.016 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.696 -4.336 12.490 1.00 0.00 C ATOM 321 CD1 ILE A 19 -4.071 -4.765 9.850 1.00 0.00 C ATOM 0 H ILE A 19 -5.451 -0.800 10.166 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.447 -2.519 11.534 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.424 -2.770 11.702 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.175 -4.379 9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.182 -3.023 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.938 -5.116 12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.693 -3.908 13.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.676 -4.765 12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.052 -5.152 8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.149 -4.218 10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.158 -5.594 10.552 1.00 0.00 H new ATOM 333 N GLY A 20 -6.555 -1.689 13.928 1.00 0.00 N ATOM 334 CA GLY A 20 -6.251 -1.023 15.191 1.00 0.00 C ATOM 335 C GLY A 20 -5.512 -1.953 16.157 1.00 0.00 C ATOM 336 O GLY A 20 -4.294 -2.130 16.018 1.00 0.00 O ATOM 0 H GLY A 20 -7.061 -2.568 14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.643 -0.139 14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.176 -0.679 15.653 1.00 0.00 H new ATOM 340 N PRO A 21 -6.231 -2.609 17.128 1.00 0.00 N ATOM 341 CA PRO A 21 -5.601 -3.385 18.233 1.00 0.00 C ATOM 342 C PRO A 21 -4.928 -4.705 17.774 1.00 0.00 C ATOM 343 O PRO A 21 -4.024 -5.204 18.453 1.00 0.00 O ATOM 344 CB PRO A 21 -6.791 -3.641 19.199 1.00 0.00 C ATOM 345 CG PRO A 21 -8.001 -3.652 18.314 1.00 0.00 C ATOM 346 CD PRO A 21 -7.721 -2.646 17.214 1.00 0.00 C ATOM 0 HA PRO A 21 -4.773 -2.842 18.689 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.677 -4.588 19.726 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.861 -2.861 19.957 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.173 -4.646 17.900 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.896 -3.380 18.873 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.168 -2.954 16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.131 -1.666 17.456 1.00 0.00 H new ATOM 354 N SER A 22 -5.354 -5.250 16.614 1.00 0.00 N ATOM 355 CA SER A 22 -4.785 -6.497 16.046 1.00 0.00 C ATOM 356 C SER A 22 -3.652 -6.176 15.038 1.00 0.00 C ATOM 357 O SER A 22 -3.421 -6.919 14.070 1.00 0.00 O ATOM 358 CB SER A 22 -5.920 -7.326 15.390 1.00 0.00 C ATOM 359 OG SER A 22 -5.478 -8.627 15.014 1.00 0.00 O ATOM 0 H SER A 22 -6.097 -4.843 16.046 1.00 0.00 H new ATOM 0 HA SER A 22 -4.340 -7.091 16.845 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.755 -7.413 16.086 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.292 -6.800 14.510 1.00 0.00 H new ATOM 0 HG SER A 22 -4.617 -8.559 14.550 1.00 0.00 H new ATOM 365 N ALA A 23 -2.913 -5.089 15.311 1.00 0.00 N ATOM 366 CA ALA A 23 -1.747 -4.689 14.526 1.00 0.00 C ATOM 367 C ALA A 23 -0.685 -4.133 15.472 1.00 0.00 C ATOM 368 O ALA A 23 -0.557 -2.914 15.656 1.00 0.00 O ATOM 369 CB ALA A 23 -2.119 -3.680 13.430 1.00 0.00 C ATOM 0 H ALA A 23 -3.114 -4.462 16.090 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.345 -5.561 14.010 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.226 -3.407 12.868 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.849 -4.128 12.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.547 -2.788 13.887 1.00 0.00 H new ATOM 375 N LYS A 24 0.015 -5.064 16.133 1.00 0.00 N ATOM 376 CA LYS A 24 1.180 -4.773 16.968 1.00 0.00 C ATOM 377 C LYS A 24 2.361 -4.427 16.038 1.00 0.00 C ATOM 378 O LYS A 24 2.309 -4.762 14.848 1.00 0.00 O ATOM 379 CB LYS A 24 1.449 -6.004 17.908 1.00 0.00 C ATOM 380 CG LYS A 24 2.456 -5.781 19.077 1.00 0.00 C ATOM 381 CD LYS A 24 3.925 -6.139 18.724 1.00 0.00 C ATOM 382 CE LYS A 24 4.885 -5.942 19.910 1.00 0.00 C ATOM 383 NZ LYS A 24 6.295 -6.199 19.529 1.00 0.00 N ATOM 0 H LYS A 24 -0.219 -6.056 16.100 1.00 0.00 H new ATOM 0 HA LYS A 24 1.021 -3.914 17.621 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.497 -6.322 18.334 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.815 -6.828 17.295 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.412 -4.737 19.386 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.142 -6.380 19.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.972 -7.176 18.392 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.255 -5.521 17.888 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.791 -4.924 20.288 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.601 -6.611 20.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.927 -5.649 20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.504 -7.212 19.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.444 -5.916 18.539 1.00 0.00 H new ATOM 397 N GLU A 25 3.403 -3.759 16.583 1.00 0.00 N ATOM 398 CA GLU A 25 4.568 -3.226 15.819 1.00 0.00 C ATOM 399 C GLU A 25 5.151 -4.238 14.811 1.00 0.00 C ATOM 400 O GLU A 25 5.504 -3.883 13.680 1.00 0.00 O ATOM 401 CB GLU A 25 5.701 -2.764 16.778 1.00 0.00 C ATOM 402 CG GLU A 25 5.320 -1.659 17.791 1.00 0.00 C ATOM 403 CD GLU A 25 4.616 -2.189 19.052 1.00 0.00 C ATOM 404 OE1 GLU A 25 5.317 -2.653 19.970 1.00 0.00 O ATOM 405 OE2 GLU A 25 3.370 -2.170 19.128 1.00 0.00 O ATOM 0 H GLU A 25 3.465 -3.569 17.583 1.00 0.00 H new ATOM 0 HA GLU A 25 4.182 -2.377 15.255 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.057 -3.632 17.333 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.536 -2.406 16.176 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.222 -1.124 18.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.669 -0.937 17.299 1.00 0.00 H new ATOM 412 N ASP A 26 5.198 -5.506 15.232 1.00 0.00 N ATOM 413 CA ASP A 26 5.853 -6.580 14.475 1.00 0.00 C ATOM 414 C ASP A 26 4.830 -7.573 13.878 1.00 0.00 C ATOM 415 O ASP A 26 5.203 -8.673 13.460 1.00 0.00 O ATOM 416 CB ASP A 26 6.850 -7.300 15.421 1.00 0.00 C ATOM 417 CG ASP A 26 7.927 -6.362 15.995 1.00 0.00 C ATOM 418 OD1 ASP A 26 7.684 -5.731 17.055 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.019 -6.248 15.395 1.00 0.00 O ATOM 0 H ASP A 26 4.782 -5.818 16.109 1.00 0.00 H new ATOM 0 HA ASP A 26 6.387 -6.150 13.627 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.297 -7.754 16.243 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.336 -8.111 14.878 1.00 0.00 H new ATOM 424 N GLU A 27 3.540 -7.180 13.831 1.00 0.00 N ATOM 425 CA GLU A 27 2.481 -7.976 13.161 1.00 0.00 C ATOM 426 C GLU A 27 2.419 -7.655 11.667 1.00 0.00 C ATOM 427 O GLU A 27 1.991 -8.487 10.869 1.00 0.00 O ATOM 428 CB GLU A 27 1.074 -7.758 13.801 1.00 0.00 C ATOM 429 CG GLU A 27 0.879 -8.482 15.142 1.00 0.00 C ATOM 430 CD GLU A 27 -0.603 -8.631 15.540 1.00 0.00 C ATOM 431 OE1 GLU A 27 -1.293 -9.522 14.993 1.00 0.00 O ATOM 432 OE2 GLU A 27 -1.078 -7.869 16.403 1.00 0.00 O ATOM 0 H GLU A 27 3.202 -6.313 14.250 1.00 0.00 H new ATOM 0 HA GLU A 27 2.751 -9.023 13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.915 -6.690 13.950 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.311 -8.099 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.334 -9.471 15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.405 -7.934 15.924 1.00 0.00 H new ATOM 439 N LEU A 28 2.794 -6.427 11.296 1.00 0.00 N ATOM 440 CA LEU A 28 2.849 -6.005 9.892 1.00 0.00 C ATOM 441 C LEU A 28 4.315 -5.887 9.472 1.00 0.00 C ATOM 442 O LEU A 28 5.100 -5.172 10.101 1.00 0.00 O ATOM 443 CB LEU A 28 2.076 -4.661 9.672 1.00 0.00 C ATOM 444 CG LEU A 28 0.525 -4.767 9.462 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.188 -5.590 8.201 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.187 -5.328 10.710 1.00 0.00 C ATOM 0 H LEU A 28 3.067 -5.700 11.957 1.00 0.00 H new ATOM 0 HA LEU A 28 2.357 -6.751 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.260 -4.018 10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.504 -4.161 8.803 1.00 0.00 H new ATOM 0 HG LEU A 28 0.149 -3.756 9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.894 -5.646 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.625 -5.110 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.594 -6.596 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.259 -5.385 10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.196 -6.324 10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.002 -4.672 11.560 1.00 0.00 H new ATOM 458 N ASP A 29 4.672 -6.657 8.450 1.00 0.00 N ATOM 459 CA ASP A 29 5.970 -6.578 7.758 1.00 0.00 C ATOM 460 C ASP A 29 5.757 -6.025 6.353 1.00 0.00 C ATOM 461 O ASP A 29 4.628 -5.699 5.956 1.00 0.00 O ATOM 462 CB ASP A 29 6.619 -7.988 7.664 1.00 0.00 C ATOM 463 CG ASP A 29 6.889 -8.618 9.034 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.850 -8.189 9.706 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.151 -9.542 9.441 1.00 0.00 O ATOM 0 H ASP A 29 4.057 -7.374 8.064 1.00 0.00 H new ATOM 0 HA ASP A 29 6.633 -5.921 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.965 -8.645 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.557 -7.914 7.114 1.00 0.00 H new ATOM 470 N ASP A 30 6.853 -5.929 5.596 1.00 0.00 N ATOM 471 CA ASP A 30 6.814 -5.577 4.170 1.00 0.00 C ATOM 472 C ASP A 30 6.554 -6.834 3.312 1.00 0.00 C ATOM 473 O ASP A 30 6.176 -6.719 2.152 1.00 0.00 O ATOM 474 CB ASP A 30 8.127 -4.870 3.749 1.00 0.00 C ATOM 475 CG ASP A 30 9.366 -5.784 3.761 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.596 -6.490 4.766 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.107 -5.811 2.754 1.00 0.00 O ATOM 0 H ASP A 30 7.794 -6.093 5.953 1.00 0.00 H new ATOM 0 HA ASP A 30 5.992 -4.881 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.001 -4.460 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.304 -4.028 4.418 1.00 0.00 H new ATOM 482 N GLN A 31 6.780 -8.025 3.915 1.00 0.00 N ATOM 483 CA GLN A 31 6.589 -9.343 3.263 1.00 0.00 C ATOM 484 C GLN A 31 5.455 -10.130 3.959 1.00 0.00 C ATOM 485 O GLN A 31 5.393 -11.368 3.875 1.00 0.00 O ATOM 486 CB GLN A 31 7.912 -10.148 3.276 1.00 0.00 C ATOM 487 CG GLN A 31 9.051 -9.537 2.438 1.00 0.00 C ATOM 488 CD GLN A 31 10.272 -10.458 2.324 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.569 -11.240 3.231 1.00 0.00 O ATOM 490 NE2 GLN A 31 10.977 -10.383 1.208 1.00 0.00 N ATOM 0 H GLN A 31 7.104 -8.099 4.879 1.00 0.00 H new ATOM 0 HA GLN A 31 6.301 -9.181 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.251 -10.245 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.711 -11.155 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.679 -9.311 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.357 -8.591 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.706 -9.726 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.792 -10.982 1.079 1.00 0.00 H new ATOM 499 N THR A 32 4.553 -9.399 4.628 1.00 0.00 N ATOM 500 CA THR A 32 3.322 -9.958 5.200 1.00 0.00 C ATOM 501 C THR A 32 2.226 -10.035 4.107 1.00 0.00 C ATOM 502 O THR A 32 1.984 -9.039 3.432 1.00 0.00 O ATOM 503 CB THR A 32 2.840 -9.096 6.417 1.00 0.00 C ATOM 504 OG1 THR A 32 3.721 -9.300 7.527 1.00 0.00 O ATOM 505 CG2 THR A 32 1.399 -9.396 6.865 1.00 0.00 C ATOM 0 H THR A 32 4.658 -8.397 4.788 1.00 0.00 H new ATOM 0 HA THR A 32 3.523 -10.965 5.564 1.00 0.00 H new ATOM 0 HB THR A 32 2.856 -8.060 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.224 -9.189 8.364 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.141 -8.759 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.713 -9.200 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.320 -10.442 7.161 1.00 0.00 H new ATOM 513 N PRO A 33 1.568 -11.223 3.920 1.00 0.00 N ATOM 514 CA PRO A 33 0.462 -11.384 2.951 1.00 0.00 C ATOM 515 C PRO A 33 -0.815 -10.633 3.420 1.00 0.00 C ATOM 516 O PRO A 33 -1.662 -11.196 4.126 1.00 0.00 O ATOM 517 CB PRO A 33 0.259 -12.922 2.902 1.00 0.00 C ATOM 518 CG PRO A 33 0.718 -13.412 4.245 1.00 0.00 C ATOM 519 CD PRO A 33 1.868 -12.503 4.631 1.00 0.00 C ATOM 0 HA PRO A 33 0.679 -10.961 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.785 -13.178 2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.840 -13.372 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.087 -13.361 4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.039 -14.453 4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.918 -12.358 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.827 -12.918 4.320 1.00 0.00 H new ATOM 527 N LEU A 34 -0.920 -9.351 3.026 1.00 0.00 N ATOM 528 CA LEU A 34 -2.000 -8.434 3.466 1.00 0.00 C ATOM 529 C LEU A 34 -3.377 -8.953 3.009 1.00 0.00 C ATOM 530 O LEU A 34 -4.340 -9.030 3.786 1.00 0.00 O ATOM 531 CB LEU A 34 -1.801 -6.996 2.888 1.00 0.00 C ATOM 532 CG LEU A 34 -0.373 -6.352 3.009 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.546 -6.790 1.869 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.432 -4.820 3.068 1.00 0.00 C ATOM 0 H LEU A 34 -0.255 -8.914 2.388 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.957 -8.395 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.070 -7.019 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.511 -6.334 3.384 1.00 0.00 H new ATOM 0 HG LEU A 34 0.042 -6.714 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.523 -6.323 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.657 -7.874 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.114 -6.486 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.578 -4.420 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.900 -4.439 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.017 -4.512 3.934 1.00 0.00 H new ATOM 546 N LEU A 35 -3.420 -9.303 1.723 1.00 0.00 N ATOM 547 CA LEU A 35 -4.640 -9.722 1.027 1.00 0.00 C ATOM 548 C LEU A 35 -5.150 -11.075 1.560 1.00 0.00 C ATOM 549 O LEU A 35 -6.362 -11.312 1.618 1.00 0.00 O ATOM 550 CB LEU A 35 -4.351 -9.805 -0.486 1.00 0.00 C ATOM 551 CG LEU A 35 -5.593 -9.932 -1.417 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.487 -8.665 -1.338 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.155 -10.238 -2.860 1.00 0.00 C ATOM 0 H LEU A 35 -2.594 -9.304 1.124 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.424 -8.987 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.794 -8.915 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.700 -10.661 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.199 -10.769 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.346 -8.784 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.834 -8.528 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.910 -7.793 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.035 -10.324 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.519 -9.432 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.600 -11.176 -2.881 1.00 0.00 H new ATOM 565 N GLU A 36 -4.202 -11.941 1.964 1.00 0.00 N ATOM 566 CA GLU A 36 -4.503 -13.253 2.558 1.00 0.00 C ATOM 567 C GLU A 36 -5.169 -13.072 3.937 1.00 0.00 C ATOM 568 O GLU A 36 -6.141 -13.758 4.263 1.00 0.00 O ATOM 569 CB GLU A 36 -3.202 -14.091 2.675 1.00 0.00 C ATOM 570 CG GLU A 36 -3.381 -15.532 3.197 1.00 0.00 C ATOM 571 CD GLU A 36 -4.310 -16.384 2.310 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.871 -16.839 1.243 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.483 -16.591 2.663 1.00 0.00 O ATOM 0 H GLU A 36 -3.203 -11.748 1.887 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.200 -13.788 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.730 -14.135 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.512 -13.567 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.405 -16.014 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.785 -15.498 4.209 1.00 0.00 H new ATOM 580 N TRP A 37 -4.649 -12.105 4.714 1.00 0.00 N ATOM 581 CA TRP A 37 -5.225 -11.714 6.021 1.00 0.00 C ATOM 582 C TRP A 37 -6.586 -10.998 5.844 1.00 0.00 C ATOM 583 O TRP A 37 -7.358 -10.883 6.806 1.00 0.00 O ATOM 584 CB TRP A 37 -4.233 -10.794 6.788 1.00 0.00 C ATOM 585 CG TRP A 37 -2.976 -11.476 7.295 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.367 -12.603 6.805 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.176 -11.053 8.406 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.249 -12.894 7.537 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.114 -11.961 8.529 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.266 -9.984 9.309 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.140 -11.840 9.517 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.299 -9.864 10.291 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.249 -10.788 10.387 1.00 0.00 C ATOM 0 H TRP A 37 -3.819 -11.571 4.457 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.395 -12.622 6.600 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.942 -9.974 6.132 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.755 -10.353 7.637 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.720 -13.178 5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.619 -13.678 7.371 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.073 -9.270 9.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.671 -12.549 9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.354 -9.046 10.994 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.491 -10.667 11.165 1.00 0.00 H new ATOM 604 N GLY A 38 -6.847 -10.501 4.614 1.00 0.00 N ATOM 605 CA GLY A 38 -8.126 -9.873 4.261 1.00 0.00 C ATOM 606 C GLY A 38 -8.254 -8.444 4.761 1.00 0.00 C ATOM 607 O GLY A 38 -9.342 -7.871 4.738 1.00 0.00 O ATOM 0 H GLY A 38 -6.176 -10.527 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.240 -9.883 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.941 -10.469 4.673 1.00 0.00 H new ATOM 611 N ILE A 39 -7.121 -7.862 5.180 1.00 0.00 N ATOM 612 CA ILE A 39 -7.059 -6.515 5.786 1.00 0.00 C ATOM 613 C ILE A 39 -7.221 -5.398 4.728 1.00 0.00 C ATOM 614 O ILE A 39 -7.343 -4.227 5.087 1.00 0.00 O ATOM 615 CB ILE A 39 -5.735 -6.313 6.608 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.478 -6.345 5.676 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.636 -7.373 7.741 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.148 -6.149 6.385 1.00 0.00 C ATOM 0 H ILE A 39 -6.210 -8.314 5.109 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.900 -6.442 6.476 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.764 -5.327 7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.456 -7.301 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.586 -5.569 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.714 -7.221 8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.490 -7.270 8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.635 -8.372 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.338 -6.187 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.141 -5.180 6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.009 -6.939 7.123 1.00 0.00 H new ATOM 630 N LEU A 40 -7.187 -5.765 3.429 1.00 0.00 N ATOM 631 CA LEU A 40 -7.334 -4.812 2.309 1.00 0.00 C ATOM 632 C LEU A 40 -8.718 -4.970 1.644 1.00 0.00 C ATOM 633 O LEU A 40 -8.829 -5.462 0.517 1.00 0.00 O ATOM 634 CB LEU A 40 -6.201 -5.005 1.256 1.00 0.00 C ATOM 635 CG LEU A 40 -4.744 -4.737 1.737 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.739 -4.882 0.568 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.621 -3.355 2.424 1.00 0.00 C ATOM 0 H LEU A 40 -7.057 -6.731 3.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.253 -3.803 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.253 -6.028 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.406 -4.348 0.411 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.495 -5.491 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.729 -4.690 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.794 -5.893 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.986 -4.165 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.592 -3.200 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.902 -2.572 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.283 -3.319 3.289 1.00 0.00 H new ATOM 649 N ASN A 41 -9.778 -4.583 2.383 1.00 0.00 N ATOM 650 CA ASN A 41 -11.144 -4.443 1.827 1.00 0.00 C ATOM 651 C ASN A 41 -11.240 -3.089 1.098 1.00 0.00 C ATOM 652 O ASN A 41 -10.452 -2.178 1.396 1.00 0.00 O ATOM 653 CB ASN A 41 -12.218 -4.537 2.948 1.00 0.00 C ATOM 654 CG ASN A 41 -12.131 -5.802 3.824 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.453 -5.760 5.014 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.728 -6.937 3.254 1.00 0.00 N ATOM 0 H ASN A 41 -9.715 -4.359 3.376 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.334 -5.257 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.130 -3.661 3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.206 -4.497 2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.681 -7.795 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.467 -6.948 2.268 1.00 0.00 H new ATOM 663 N SER A 42 -12.215 -2.954 0.174 1.00 0.00 N ATOM 664 CA SER A 42 -12.311 -1.780 -0.727 1.00 0.00 C ATOM 665 C SER A 42 -12.484 -0.451 0.036 1.00 0.00 C ATOM 666 O SER A 42 -11.925 0.581 -0.362 1.00 0.00 O ATOM 667 CB SER A 42 -13.454 -1.962 -1.738 1.00 0.00 C ATOM 668 OG SER A 42 -13.415 -0.945 -2.726 1.00 0.00 O ATOM 0 H SER A 42 -12.951 -3.646 0.030 1.00 0.00 H new ATOM 0 HA SER A 42 -11.362 -1.722 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.375 -2.940 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.412 -1.936 -1.220 1.00 0.00 H new ATOM 0 HG SER A 42 -14.149 -1.078 -3.362 1.00 0.00 H new ATOM 673 N MET A 43 -13.224 -0.505 1.149 1.00 0.00 N ATOM 674 CA MET A 43 -13.493 0.665 2.002 1.00 0.00 C ATOM 675 C MET A 43 -12.198 1.255 2.595 1.00 0.00 C ATOM 676 O MET A 43 -12.006 2.472 2.575 1.00 0.00 O ATOM 677 CB MET A 43 -14.502 0.283 3.128 1.00 0.00 C ATOM 678 CG MET A 43 -14.692 1.329 4.245 1.00 0.00 C ATOM 679 SD MET A 43 -15.077 2.992 3.637 1.00 0.00 S ATOM 680 CE MET A 43 -16.641 2.743 2.793 1.00 0.00 C ATOM 0 H MET A 43 -13.657 -1.364 1.488 1.00 0.00 H new ATOM 0 HA MET A 43 -13.937 1.441 1.379 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.472 0.089 2.670 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.172 -0.651 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.494 0.999 4.905 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.783 1.374 4.846 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.010 3.699 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.498 2.059 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.366 2.319 3.488 1.00 0.00 H new ATOM 690 N ASN A 44 -11.315 0.392 3.104 1.00 0.00 N ATOM 691 CA ASN A 44 -10.078 0.833 3.781 1.00 0.00 C ATOM 692 C ASN A 44 -8.894 1.022 2.802 1.00 0.00 C ATOM 693 O ASN A 44 -7.978 1.805 3.087 1.00 0.00 O ATOM 694 CB ASN A 44 -9.702 -0.134 4.930 1.00 0.00 C ATOM 695 CG ASN A 44 -9.484 -1.579 4.482 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.376 -2.416 4.586 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.319 -1.870 3.938 1.00 0.00 N ATOM 0 H ASN A 44 -11.428 -0.621 3.063 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.287 1.814 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.793 0.227 5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.491 -0.113 5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.140 -2.812 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.597 -1.153 3.865 1.00 0.00 H new ATOM 704 N ILE A 45 -8.911 0.310 1.648 1.00 0.00 N ATOM 705 CA ILE A 45 -7.773 0.311 0.691 1.00 0.00 C ATOM 706 C ILE A 45 -7.685 1.643 -0.089 1.00 0.00 C ATOM 707 O ILE A 45 -6.609 2.036 -0.552 1.00 0.00 O ATOM 708 CB ILE A 45 -7.853 -0.897 -0.323 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.476 -1.137 -1.018 1.00 0.00 C ATOM 710 CG2 ILE A 45 -8.969 -0.678 -1.385 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.404 -2.395 -1.861 1.00 0.00 C ATOM 0 H ILE A 45 -9.697 -0.271 1.357 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.869 0.197 1.290 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.108 -1.787 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.249 -0.279 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.701 -1.184 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.995 -1.529 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.933 -0.583 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.761 0.232 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.412 -2.479 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.596 -3.265 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.152 -2.346 -2.652 1.00 0.00 H new ATOM 723 N VAL A 46 -8.833 2.325 -0.236 1.00 0.00 N ATOM 724 CA VAL A 46 -8.902 3.640 -0.898 1.00 0.00 C ATOM 725 C VAL A 46 -8.192 4.714 -0.059 1.00 0.00 C ATOM 726 O VAL A 46 -7.681 5.696 -0.606 1.00 0.00 O ATOM 727 CB VAL A 46 -10.381 4.062 -1.209 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.025 3.089 -2.223 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.228 4.179 0.084 1.00 0.00 C ATOM 0 H VAL A 46 -9.734 1.984 0.098 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.383 3.549 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.356 5.053 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.050 3.400 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.453 3.100 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.026 2.081 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.246 4.473 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.247 3.216 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.788 4.930 0.740 1.00 0.00 H new ATOM 739 N LYS A 47 -8.139 4.497 1.275 1.00 0.00 N ATOM 740 CA LYS A 47 -7.355 5.347 2.179 1.00 0.00 C ATOM 741 C LYS A 47 -5.849 5.150 1.959 1.00 0.00 C ATOM 742 O LYS A 47 -5.072 6.062 2.235 1.00 0.00 O ATOM 743 CB LYS A 47 -7.749 5.158 3.674 1.00 0.00 C ATOM 744 CG LYS A 47 -8.978 6.004 4.118 1.00 0.00 C ATOM 745 CD LYS A 47 -10.331 5.261 4.038 1.00 0.00 C ATOM 746 CE LYS A 47 -10.488 4.229 5.156 1.00 0.00 C ATOM 747 NZ LYS A 47 -11.844 3.642 5.188 1.00 0.00 N ATOM 0 H LYS A 47 -8.633 3.737 1.743 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.597 6.380 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.963 4.104 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.896 5.420 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.822 6.338 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.031 6.898 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.145 5.984 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.414 4.763 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.753 3.435 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.275 4.700 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.904 2.949 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.545 4.395 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.039 3.169 4.283 1.00 0.00 H new ATOM 761 N LEU A 48 -5.442 3.971 1.454 1.00 0.00 N ATOM 762 CA LEU A 48 -4.061 3.759 1.006 1.00 0.00 C ATOM 763 C LEU A 48 -3.785 4.593 -0.251 1.00 0.00 C ATOM 764 O LEU A 48 -2.770 5.256 -0.306 1.00 0.00 O ATOM 765 CB LEU A 48 -3.736 2.261 0.757 1.00 0.00 C ATOM 766 CG LEU A 48 -3.687 1.351 2.021 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.250 -0.086 1.656 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.776 1.961 3.119 1.00 0.00 C ATOM 0 H LEU A 48 -6.048 3.158 1.348 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.403 4.088 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.482 1.857 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.772 2.198 0.252 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.696 1.294 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.225 -0.699 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.959 -0.513 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.257 -0.061 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.763 1.303 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.763 2.071 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.161 2.938 3.410 1.00 0.00 H new ATOM 780 N MET A 49 -4.718 4.594 -1.227 1.00 0.00 N ATOM 781 CA MET A 49 -4.545 5.348 -2.500 1.00 0.00 C ATOM 782 C MET A 49 -4.315 6.853 -2.236 1.00 0.00 C ATOM 783 O MET A 49 -3.419 7.472 -2.825 1.00 0.00 O ATOM 784 CB MET A 49 -5.785 5.180 -3.408 1.00 0.00 C ATOM 785 CG MET A 49 -6.149 3.736 -3.739 1.00 0.00 C ATOM 786 SD MET A 49 -7.766 3.633 -4.537 1.00 0.00 S ATOM 787 CE MET A 49 -8.084 1.882 -4.435 1.00 0.00 C ATOM 0 H MET A 49 -5.599 4.084 -1.164 1.00 0.00 H new ATOM 0 HA MET A 49 -3.667 4.938 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.639 5.652 -2.923 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.610 5.718 -4.340 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.390 3.308 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.153 3.141 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.463 1.525 -5.393 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.160 1.358 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.824 1.691 -3.658 1.00 0.00 H new ATOM 797 N VAL A 50 -5.129 7.407 -1.318 1.00 0.00 N ATOM 798 CA VAL A 50 -5.075 8.840 -0.942 1.00 0.00 C ATOM 799 C VAL A 50 -3.841 9.145 -0.063 1.00 0.00 C ATOM 800 O VAL A 50 -3.355 10.285 -0.030 1.00 0.00 O ATOM 801 CB VAL A 50 -6.393 9.322 -0.226 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.648 8.967 -1.071 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.496 8.779 1.221 1.00 0.00 C ATOM 0 H VAL A 50 -5.842 6.879 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.985 9.400 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.347 10.408 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.544 9.311 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.581 9.454 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.700 7.887 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.419 9.135 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.498 7.689 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.644 9.130 1.803 1.00 0.00 H new ATOM 813 N TYR A 51 -3.361 8.109 0.643 1.00 0.00 N ATOM 814 CA TYR A 51 -2.146 8.180 1.464 1.00 0.00 C ATOM 815 C TYR A 51 -0.912 8.322 0.551 1.00 0.00 C ATOM 816 O TYR A 51 -0.115 9.236 0.704 1.00 0.00 O ATOM 817 CB TYR A 51 -2.025 6.899 2.331 1.00 0.00 C ATOM 818 CG TYR A 51 -0.790 6.874 3.233 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.760 7.606 4.426 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.358 6.156 2.876 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.361 7.617 5.227 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.472 6.161 3.675 1.00 0.00 C ATOM 823 CZ TYR A 51 1.473 6.891 4.851 1.00 0.00 C ATOM 824 OH TYR A 51 2.603 6.922 5.636 1.00 0.00 O ATOM 0 H TYR A 51 -3.810 7.193 0.659 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.202 9.047 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.917 6.806 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.001 6.029 1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.630 8.172 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.366 5.589 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.370 8.190 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.347 5.597 3.388 1.00 0.00 H new ATOM 0 HH TYR A 51 3.162 7.684 5.375 1.00 0.00 H new ATOM 834 N ILE A 52 -0.811 7.392 -0.404 1.00 0.00 N ATOM 835 CA ILE A 52 0.329 7.238 -1.328 1.00 0.00 C ATOM 836 C ILE A 52 0.405 8.409 -2.329 1.00 0.00 C ATOM 837 O ILE A 52 1.501 8.842 -2.678 1.00 0.00 O ATOM 838 CB ILE A 52 0.189 5.857 -2.072 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.179 4.688 -1.029 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.292 5.639 -3.141 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.523 3.438 -1.501 1.00 0.00 C ATOM 0 H ILE A 52 -1.543 6.700 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 52 1.260 7.253 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.760 5.869 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.208 4.437 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.301 5.037 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.146 4.672 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.234 6.429 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.271 5.663 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.483 2.681 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.563 3.669 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.030 3.060 -2.397 1.00 0.00 H new ATOM 853 N ARG A 53 -0.762 8.931 -2.763 1.00 0.00 N ATOM 854 CA ARG A 53 -0.822 10.105 -3.680 1.00 0.00 C ATOM 855 C ARG A 53 -0.271 11.386 -3.010 1.00 0.00 C ATOM 856 O ARG A 53 0.136 12.327 -3.691 1.00 0.00 O ATOM 857 CB ARG A 53 -2.264 10.336 -4.225 1.00 0.00 C ATOM 858 CG ARG A 53 -3.233 11.041 -3.257 1.00 0.00 C ATOM 859 CD ARG A 53 -4.646 11.212 -3.838 1.00 0.00 C ATOM 860 NE ARG A 53 -5.509 12.035 -2.958 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.850 12.076 -3.001 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.524 11.332 -3.856 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.517 12.893 -2.205 1.00 0.00 N ATOM 0 H ARG A 53 -1.676 8.564 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.179 9.875 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.198 10.926 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.689 9.370 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.294 10.468 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.831 12.021 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.580 11.678 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.101 10.232 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.045 12.619 -2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.026 10.714 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.543 11.374 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.013 13.496 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.536 12.921 -2.241 1.00 0.00 H new ATOM 877 N ASP A 54 -0.281 11.399 -1.672 1.00 0.00 N ATOM 878 CA ASP A 54 0.236 12.512 -0.854 1.00 0.00 C ATOM 879 C ASP A 54 1.726 12.291 -0.495 1.00 0.00 C ATOM 880 O ASP A 54 2.574 13.149 -0.761 1.00 0.00 O ATOM 881 CB ASP A 54 -0.638 12.628 0.422 1.00 0.00 C ATOM 882 CG ASP A 54 -0.117 13.652 1.440 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.046 14.854 1.112 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.208 13.262 2.580 1.00 0.00 O ATOM 0 H ASP A 54 -0.652 10.629 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 54 0.182 13.442 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.653 12.902 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.696 11.651 0.901 1.00 0.00 H new ATOM 889 N GLU A 55 2.008 11.126 0.110 1.00 0.00 N ATOM 890 CA GLU A 55 3.352 10.731 0.598 1.00 0.00 C ATOM 891 C GLU A 55 4.325 10.461 -0.570 1.00 0.00 C ATOM 892 O GLU A 55 5.335 11.154 -0.733 1.00 0.00 O ATOM 893 CB GLU A 55 3.222 9.450 1.481 1.00 0.00 C ATOM 894 CG GLU A 55 2.521 9.658 2.839 1.00 0.00 C ATOM 895 CD GLU A 55 3.470 10.199 3.917 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.132 9.382 4.598 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.587 11.429 4.066 1.00 0.00 O ATOM 0 H GLU A 55 1.298 10.414 0.280 1.00 0.00 H new ATOM 0 HA GLU A 55 3.758 11.555 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.673 8.694 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.220 9.050 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.689 10.351 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.099 8.711 3.174 1.00 0.00 H new ATOM 904 N MET A 56 3.993 9.438 -1.378 1.00 0.00 N ATOM 905 CA MET A 56 4.814 8.999 -2.532 1.00 0.00 C ATOM 906 C MET A 56 4.520 9.847 -3.793 1.00 0.00 C ATOM 907 O MET A 56 5.289 9.802 -4.758 1.00 0.00 O ATOM 908 CB MET A 56 4.577 7.478 -2.828 1.00 0.00 C ATOM 909 CG MET A 56 5.524 6.516 -2.094 1.00 0.00 C ATOM 910 SD MET A 56 5.533 6.713 -0.299 1.00 0.00 S ATOM 911 CE MET A 56 3.877 6.191 0.118 1.00 0.00 C ATOM 0 H MET A 56 3.144 8.887 -1.252 1.00 0.00 H new ATOM 0 HA MET A 56 5.861 9.147 -2.268 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.551 7.227 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.676 7.313 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.241 5.491 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.537 6.663 -2.470 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.768 6.157 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.158 6.897 -0.297 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.693 5.200 -0.297 1.00 0.00 H new ATOM 921 N GLY A 57 3.394 10.588 -3.780 1.00 0.00 N ATOM 922 CA GLY A 57 2.954 11.375 -4.937 1.00 0.00 C ATOM 923 C GLY A 57 2.368 10.511 -6.052 1.00 0.00 C ATOM 924 O GLY A 57 2.314 10.934 -7.205 1.00 0.00 O ATOM 0 H GLY A 57 2.773 10.654 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.207 12.100 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.799 11.941 -5.328 1.00 0.00 H new ATOM 928 N VAL A 58 1.898 9.297 -5.700 1.00 0.00 N ATOM 929 CA VAL A 58 1.449 8.282 -6.675 1.00 0.00 C ATOM 930 C VAL A 58 -0.048 7.989 -6.516 1.00 0.00 C ATOM 931 O VAL A 58 -0.477 7.467 -5.477 1.00 0.00 O ATOM 932 CB VAL A 58 2.237 6.937 -6.504 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.822 5.902 -7.584 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.764 7.184 -6.488 1.00 0.00 C ATOM 0 H VAL A 58 1.819 8.992 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 58 1.642 8.693 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 58 1.972 6.510 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.385 4.980 -7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.756 5.693 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.033 6.305 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.285 6.234 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.067 7.648 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.017 7.844 -5.658 1.00 0.00 H new ATOM 944 N SER A 59 -0.831 8.324 -7.544 1.00 0.00 N ATOM 945 CA SER A 59 -2.234 7.920 -7.644 1.00 0.00 C ATOM 946 C SER A 59 -2.313 6.468 -8.156 1.00 0.00 C ATOM 947 O SER A 59 -1.704 6.144 -9.188 1.00 0.00 O ATOM 948 CB SER A 59 -2.985 8.876 -8.597 1.00 0.00 C ATOM 949 OG SER A 59 -2.334 8.974 -9.864 1.00 0.00 O ATOM 0 H SER A 59 -0.508 8.885 -8.333 1.00 0.00 H new ATOM 0 HA SER A 59 -2.704 7.972 -6.662 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.006 8.522 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.051 9.865 -8.144 1.00 0.00 H new ATOM 0 HG SER A 59 -1.899 8.122 -10.075 1.00 0.00 H new ATOM 955 N ILE A 60 -3.021 5.594 -7.422 1.00 0.00 N ATOM 956 CA ILE A 60 -3.301 4.229 -7.872 1.00 0.00 C ATOM 957 C ILE A 60 -4.768 4.178 -8.334 1.00 0.00 C ATOM 958 O ILE A 60 -5.670 4.410 -7.511 1.00 0.00 O ATOM 959 CB ILE A 60 -3.070 3.154 -6.744 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.659 3.322 -6.088 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.253 1.712 -7.312 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.416 2.418 -4.886 1.00 0.00 C ATOM 0 H ILE A 60 -3.411 5.816 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.612 3.987 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.819 3.312 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.895 3.121 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.536 4.360 -5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.089 0.984 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.264 1.601 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.533 1.542 -8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.416 2.598 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.154 2.633 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.504 1.375 -5.191 1.00 0.00 H new ATOM 974 N PRO A 61 -5.043 3.923 -9.650 1.00 0.00 N ATOM 975 CA PRO A 61 -6.422 3.696 -10.119 1.00 0.00 C ATOM 976 C PRO A 61 -6.986 2.361 -9.570 1.00 0.00 C ATOM 977 O PRO A 61 -6.227 1.411 -9.329 1.00 0.00 O ATOM 978 CB PRO A 61 -6.283 3.692 -11.665 1.00 0.00 C ATOM 979 CG PRO A 61 -4.859 3.293 -11.926 1.00 0.00 C ATOM 980 CD PRO A 61 -4.055 3.862 -10.770 1.00 0.00 C ATOM 0 HA PRO A 61 -7.127 4.453 -9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.980 2.989 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.501 4.675 -12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.759 2.209 -11.976 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.509 3.690 -12.879 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.206 3.226 -10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.656 4.848 -11.007 1.00 0.00 H new ATOM 988 N SER A 62 -8.315 2.309 -9.378 1.00 0.00 N ATOM 989 CA SER A 62 -9.006 1.141 -8.807 1.00 0.00 C ATOM 990 C SER A 62 -9.005 -0.060 -9.785 1.00 0.00 C ATOM 991 O SER A 62 -9.179 -1.207 -9.365 1.00 0.00 O ATOM 992 CB SER A 62 -10.431 1.543 -8.370 1.00 0.00 C ATOM 993 OG SER A 62 -11.087 2.291 -9.376 1.00 0.00 O ATOM 0 H SER A 62 -8.942 3.078 -9.615 1.00 0.00 H new ATOM 0 HA SER A 62 -8.462 0.807 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.010 0.648 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.380 2.130 -7.453 1.00 0.00 H new ATOM 0 HG SER A 62 -11.987 2.530 -9.071 1.00 0.00 H new ATOM 999 N THR A 63 -8.771 0.224 -11.083 1.00 0.00 N ATOM 1000 CA THR A 63 -8.577 -0.805 -12.126 1.00 0.00 C ATOM 1001 C THR A 63 -7.213 -1.526 -11.968 1.00 0.00 C ATOM 1002 O THR A 63 -6.998 -2.590 -12.556 1.00 0.00 O ATOM 1003 CB THR A 63 -8.683 -0.177 -13.566 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.537 -1.190 -14.580 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.632 0.925 -13.805 1.00 0.00 C ATOM 0 H THR A 63 -8.711 1.178 -11.439 1.00 0.00 H new ATOM 0 HA THR A 63 -9.372 -1.541 -12.001 1.00 0.00 H new ATOM 0 HB THR A 63 -9.673 0.274 -13.631 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.042 -1.952 -14.212 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.747 1.326 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.772 1.725 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.632 0.505 -13.694 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.288 -0.926 -11.181 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.925 -1.467 -10.978 1.00 0.00 C ATOM 1015 C HIS A 64 -4.845 -2.292 -9.672 1.00 0.00 C ATOM 1016 O HIS A 64 -3.770 -2.796 -9.312 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.875 -0.307 -10.978 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.538 -0.727 -11.531 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.316 -0.858 -12.888 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.384 -1.090 -10.930 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.095 -1.298 -13.092 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.509 -1.443 -11.925 1.00 0.00 N ATOM 0 H HIS A 64 -6.465 -0.059 -10.673 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.694 -2.138 -11.805 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.261 0.526 -11.566 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.743 0.057 -9.959 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.188 -1.100 -9.868 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.649 -1.505 -14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.447 -1.767 -11.782 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.991 -2.425 -8.976 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.083 -3.180 -7.720 1.00 0.00 C ATOM 1033 C ILE A 65 -6.402 -4.646 -8.051 1.00 0.00 C ATOM 1034 O ILE A 65 -7.528 -4.971 -8.450 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.181 -2.619 -6.734 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.107 -1.065 -6.617 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.055 -3.287 -5.336 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -5.810 -0.509 -6.076 1.00 0.00 C ATOM 0 H ILE A 65 -6.875 -2.011 -9.272 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.124 -3.083 -7.211 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.158 -2.869 -7.149 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.281 -0.636 -7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.921 -0.728 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.821 -2.887 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.187 -4.364 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.069 -3.079 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.868 0.579 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.637 -0.899 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.987 -0.805 -6.727 1.00 0.00 H new ATOM 1050 N THR A 66 -5.396 -5.507 -7.904 1.00 0.00 N ATOM 1051 CA THR A 66 -5.519 -6.949 -8.150 1.00 0.00 C ATOM 1052 C THR A 66 -4.621 -7.725 -7.180 1.00 0.00 C ATOM 1053 O THR A 66 -3.715 -7.153 -6.560 1.00 0.00 O ATOM 1054 CB THR A 66 -5.183 -7.320 -9.641 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.198 -8.749 -9.821 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.821 -6.764 -10.090 1.00 0.00 C ATOM 0 H THR A 66 -4.462 -5.223 -7.608 1.00 0.00 H new ATOM 0 HA THR A 66 -6.557 -7.231 -7.976 1.00 0.00 H new ATOM 0 HB THR A 66 -5.954 -6.860 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.989 -8.963 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.636 -7.047 -11.126 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.826 -5.677 -10.007 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.034 -7.173 -9.456 1.00 0.00 H new ATOM 1064 N GLY A 67 -4.872 -9.040 -7.087 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.137 -9.936 -6.197 1.00 0.00 C ATOM 1066 C GLY A 67 -2.746 -10.300 -6.695 1.00 0.00 C ATOM 1067 O GLY A 67 -2.078 -11.132 -6.088 1.00 0.00 O ATOM 0 H GLY A 67 -5.595 -9.509 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.049 -9.467 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.714 -10.851 -6.062 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.334 -9.725 -7.831 1.00 0.00 N ATOM 1072 CA LYS A 68 -0.950 -9.808 -8.323 1.00 0.00 C ATOM 1073 C LYS A 68 -0.067 -8.710 -7.673 1.00 0.00 C ATOM 1074 O LYS A 68 1.124 -8.920 -7.427 1.00 0.00 O ATOM 1075 CB LYS A 68 -0.945 -9.713 -9.870 1.00 0.00 C ATOM 1076 CG LYS A 68 0.444 -9.886 -10.532 1.00 0.00 C ATOM 1077 CD LYS A 68 0.372 -10.007 -12.071 1.00 0.00 C ATOM 1078 CE LYS A 68 -0.297 -8.795 -12.742 1.00 0.00 C ATOM 1079 NZ LYS A 68 -0.407 -8.971 -14.212 1.00 0.00 N ATOM 0 H LYS A 68 -2.952 -9.187 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.521 -10.769 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.617 -10.473 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.351 -8.744 -10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.073 -9.036 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.925 -10.776 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.381 -10.123 -12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.180 -10.910 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.290 -8.647 -12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.279 -7.895 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.863 -8.134 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.543 -9.087 -14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.978 -9.815 -14.419 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.658 -7.529 -7.414 1.00 0.00 N ATOM 1094 CA TYR A 69 0.054 -6.386 -6.789 1.00 0.00 C ATOM 1095 C TYR A 69 -0.176 -6.346 -5.270 1.00 0.00 C ATOM 1096 O TYR A 69 0.762 -6.417 -4.480 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.379 -5.050 -7.450 1.00 0.00 C ATOM 1098 CG TYR A 69 0.007 -4.958 -8.934 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.341 -5.085 -9.331 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.948 -4.765 -9.932 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.703 -5.013 -10.658 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.590 -4.698 -11.263 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.736 -4.821 -11.622 1.00 0.00 C ATOM 1104 OH TYR A 69 1.098 -4.750 -12.946 1.00 0.00 O ATOM 0 H TYR A 69 -1.636 -7.335 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 69 1.122 -6.523 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.459 -4.938 -7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.077 -4.220 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.103 -5.243 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.988 -4.666 -9.658 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.741 -5.107 -10.942 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.345 -4.550 -12.021 1.00 0.00 H new ATOM 0 HH TYR A 69 0.299 -4.613 -13.497 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.453 -6.295 -4.866 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.855 -6.076 -3.456 1.00 0.00 C ATOM 1116 C PHE A 70 -1.860 -7.372 -2.624 1.00 0.00 C ATOM 1117 O PHE A 70 -2.429 -7.415 -1.528 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.216 -5.329 -3.427 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.058 -3.870 -3.861 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -2.965 -3.525 -5.211 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -2.932 -2.850 -2.914 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.753 -2.216 -5.596 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -2.734 -1.541 -3.300 1.00 0.00 C ATOM 1124 CZ PHE A 70 -2.639 -1.223 -4.642 1.00 0.00 C ATOM 0 H PHE A 70 -2.242 -6.404 -5.503 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.105 -5.450 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.924 -5.832 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.634 -5.368 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.060 -4.293 -5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.991 -3.091 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.676 -1.968 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.653 -0.764 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.476 -0.199 -4.945 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.163 -8.394 -3.142 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.882 -9.651 -2.440 1.00 0.00 C ATOM 1136 C LYS A 71 0.155 -9.410 -1.318 1.00 0.00 C ATOM 1137 O LYS A 71 0.018 -9.938 -0.204 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.374 -10.700 -3.470 1.00 0.00 C ATOM 1139 CG LYS A 71 1.026 -10.420 -4.096 1.00 0.00 C ATOM 1140 CD LYS A 71 1.329 -11.260 -5.364 1.00 0.00 C ATOM 1141 CE LYS A 71 0.932 -12.735 -5.244 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.581 -13.399 -4.085 1.00 0.00 N ATOM 0 H LYS A 71 -0.771 -8.367 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.790 -10.032 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.344 -11.674 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.103 -10.770 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.095 -9.362 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.794 -10.620 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.804 -10.821 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.395 -11.198 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.151 -12.811 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.205 -13.259 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.815 -14.381 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.452 -12.888 -3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.931 -13.393 -3.273 1.00 0.00 H new ATOM 1156 N ASP A 72 1.177 -8.576 -1.631 1.00 0.00 N ATOM 1157 CA ASP A 72 2.258 -8.228 -0.708 1.00 0.00 C ATOM 1158 C ASP A 72 2.702 -6.781 -0.936 1.00 0.00 C ATOM 1159 O ASP A 72 2.594 -6.264 -2.035 1.00 0.00 O ATOM 1160 CB ASP A 72 3.483 -9.197 -0.822 1.00 0.00 C ATOM 1161 CG ASP A 72 4.553 -8.884 0.213 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.183 -8.816 1.390 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.743 -8.677 -0.148 1.00 0.00 O ATOM 0 H ASP A 72 1.264 -8.128 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 72 1.863 -8.333 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.145 -10.226 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.912 -9.123 -1.821 1.00 0.00 H new ATOM 1168 N LEU A 73 3.236 -6.180 0.135 1.00 0.00 N ATOM 1169 CA LEU A 73 3.588 -4.766 0.216 1.00 0.00 C ATOM 1170 C LEU A 73 4.800 -4.416 -0.675 1.00 0.00 C ATOM 1171 O LEU A 73 4.926 -3.272 -1.122 1.00 0.00 O ATOM 1172 CB LEU A 73 3.865 -4.426 1.695 1.00 0.00 C ATOM 1173 CG LEU A 73 4.117 -2.932 2.033 1.00 0.00 C ATOM 1174 CD1 LEU A 73 2.883 -2.058 1.714 1.00 0.00 C ATOM 1175 CD2 LEU A 73 4.568 -2.786 3.490 1.00 0.00 C ATOM 0 H LEU A 73 3.440 -6.687 0.996 1.00 0.00 H new ATOM 0 HA LEU A 73 2.758 -4.167 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.017 -4.770 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.734 -4.999 2.019 1.00 0.00 H new ATOM 0 HG LEU A 73 4.923 -2.567 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.098 -1.019 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.648 -2.134 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.031 -2.403 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.741 -1.733 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.794 -3.175 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.491 -3.346 3.643 1.00 0.00 H new ATOM 1187 N ASN A 74 5.686 -5.401 -0.929 1.00 0.00 N ATOM 1188 CA ASN A 74 6.769 -5.256 -1.935 1.00 0.00 C ATOM 1189 C ASN A 74 6.163 -5.225 -3.353 1.00 0.00 C ATOM 1190 O ASN A 74 6.596 -4.439 -4.205 1.00 0.00 O ATOM 1191 CB ASN A 74 7.814 -6.402 -1.828 1.00 0.00 C ATOM 1192 CG ASN A 74 8.699 -6.299 -0.580 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.738 -5.639 -0.591 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.315 -6.970 0.492 1.00 0.00 N ATOM 0 H ASN A 74 5.677 -6.304 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 74 7.287 -4.318 -1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.293 -7.360 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.446 -6.392 -2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.884 -6.949 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.449 -7.509 0.473 1.00 0.00 H new ATOM 1201 N ALA A 75 5.139 -6.074 -3.573 1.00 0.00 N ATOM 1202 CA ALA A 75 4.407 -6.157 -4.852 1.00 0.00 C ATOM 1203 C ALA A 75 3.462 -4.938 -5.039 1.00 0.00 C ATOM 1204 O ALA A 75 3.054 -4.627 -6.165 1.00 0.00 O ATOM 1205 CB ALA A 75 3.644 -7.494 -4.937 1.00 0.00 C ATOM 0 H ALA A 75 4.796 -6.724 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 75 5.126 -6.126 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.107 -7.547 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.351 -8.321 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.934 -7.561 -4.113 1.00 0.00 H new ATOM 1211 N ILE A 76 3.115 -4.266 -3.923 1.00 0.00 N ATOM 1212 CA ILE A 76 2.420 -2.965 -3.946 1.00 0.00 C ATOM 1213 C ILE A 76 3.431 -1.867 -4.328 1.00 0.00 C ATOM 1214 O ILE A 76 3.164 -1.047 -5.204 1.00 0.00 O ATOM 1215 CB ILE A 76 1.760 -2.623 -2.546 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.676 -3.684 -2.170 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.162 -1.187 -2.510 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.060 -3.530 -0.782 1.00 0.00 C ATOM 0 H ILE A 76 3.309 -4.610 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 76 1.617 -3.018 -4.681 1.00 0.00 H new ATOM 0 HB ILE A 76 2.555 -2.657 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.123 -3.640 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.123 -4.676 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.722 -1.001 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.952 -0.459 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.393 -1.094 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.679 -4.315 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.842 -3.608 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.423 -2.556 -0.704 1.00 0.00 H new ATOM 1230 N SER A 77 4.621 -1.919 -3.693 1.00 0.00 N ATOM 1231 CA SER A 77 5.654 -0.875 -3.805 1.00 0.00 C ATOM 1232 C SER A 77 6.225 -0.816 -5.230 1.00 0.00 C ATOM 1233 O SER A 77 6.516 0.278 -5.723 1.00 0.00 O ATOM 1234 CB SER A 77 6.790 -1.136 -2.785 1.00 0.00 C ATOM 1235 OG SER A 77 7.804 -0.135 -2.828 1.00 0.00 O ATOM 0 H SER A 77 4.891 -2.692 -3.085 1.00 0.00 H new ATOM 0 HA SER A 77 5.191 0.087 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.369 -1.179 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.237 -2.110 -2.985 1.00 0.00 H new ATOM 0 HG SER A 77 8.497 -0.342 -2.167 1.00 0.00 H new ATOM 1241 N ARG A 78 6.350 -1.997 -5.885 1.00 0.00 N ATOM 1242 CA ARG A 78 6.887 -2.094 -7.259 1.00 0.00 C ATOM 1243 C ARG A 78 5.987 -1.322 -8.243 1.00 0.00 C ATOM 1244 O ARG A 78 6.484 -0.613 -9.129 1.00 0.00 O ATOM 1245 CB ARG A 78 7.050 -3.575 -7.733 1.00 0.00 C ATOM 1246 CG ARG A 78 5.727 -4.359 -7.894 1.00 0.00 C ATOM 1247 CD ARG A 78 5.903 -5.792 -8.421 1.00 0.00 C ATOM 1248 NE ARG A 78 6.402 -5.830 -9.807 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.612 -6.952 -10.523 1.00 0.00 C ATOM 1250 NH1 ARG A 78 6.374 -8.150 -10.007 1.00 0.00 N ATOM 1251 NH2 ARG A 78 7.071 -6.863 -11.754 1.00 0.00 N ATOM 0 H ARG A 78 6.085 -2.895 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 78 7.880 -1.646 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.576 -3.579 -8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.682 -4.102 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.222 -4.398 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.074 -3.812 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.596 -6.330 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.948 -6.314 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 78 6.604 -4.938 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.026 -8.234 -9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.539 -8.988 -10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.266 -5.948 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.232 -7.709 -12.301 1.00 0.00 H new ATOM 1265 N THR A 79 4.650 -1.436 -8.046 1.00 0.00 N ATOM 1266 CA THR A 79 3.674 -0.816 -8.938 1.00 0.00 C ATOM 1267 C THR A 79 3.449 0.650 -8.548 1.00 0.00 C ATOM 1268 O THR A 79 3.044 1.425 -9.384 1.00 0.00 O ATOM 1269 CB THR A 79 2.306 -1.594 -9.005 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.646 -1.272 -10.236 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.344 -1.271 -7.843 1.00 0.00 C ATOM 0 H THR A 79 4.236 -1.955 -7.272 1.00 0.00 H new ATOM 0 HA THR A 79 4.097 -0.862 -9.941 1.00 0.00 H new ATOM 0 HB THR A 79 2.552 -2.653 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.809 -0.332 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.425 -1.846 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.817 -1.532 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.109 -0.207 -7.850 1.00 0.00 H new ATOM 1279 N VAL A 80 3.708 1.014 -7.271 1.00 0.00 N ATOM 1280 CA VAL A 80 3.679 2.427 -6.817 1.00 0.00 C ATOM 1281 C VAL A 80 4.758 3.233 -7.573 1.00 0.00 C ATOM 1282 O VAL A 80 4.486 4.309 -8.107 1.00 0.00 O ATOM 1283 CB VAL A 80 3.881 2.531 -5.247 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.267 3.961 -4.781 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.619 2.030 -4.491 1.00 0.00 C ATOM 0 H VAL A 80 3.940 0.348 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 80 2.700 2.849 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 80 4.722 1.882 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.392 3.970 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.202 4.259 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.479 4.660 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.782 2.111 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.760 2.638 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.428 0.989 -4.751 1.00 0.00 H new ATOM 1295 N GLU A 81 5.958 2.653 -7.658 1.00 0.00 N ATOM 1296 CA GLU A 81 7.099 3.261 -8.360 1.00 0.00 C ATOM 1297 C GLU A 81 6.858 3.301 -9.889 1.00 0.00 C ATOM 1298 O GLU A 81 7.247 4.260 -10.568 1.00 0.00 O ATOM 1299 CB GLU A 81 8.385 2.472 -8.015 1.00 0.00 C ATOM 1300 CG GLU A 81 8.720 2.418 -6.503 1.00 0.00 C ATOM 1301 CD GLU A 81 9.039 3.795 -5.886 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.218 4.224 -5.949 1.00 0.00 O ATOM 1303 OE2 GLU A 81 8.114 4.474 -5.369 1.00 0.00 O ATOM 0 H GLU A 81 6.170 1.746 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 81 7.214 4.293 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.282 1.453 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.225 2.922 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.878 1.978 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.573 1.757 -6.353 1.00 0.00 H new ATOM 1310 N GLN A 82 6.177 2.270 -10.401 1.00 0.00 N ATOM 1311 CA GLN A 82 5.850 2.140 -11.836 1.00 0.00 C ATOM 1312 C GLN A 82 4.771 3.164 -12.250 1.00 0.00 C ATOM 1313 O GLN A 82 4.909 3.844 -13.275 1.00 0.00 O ATOM 1314 CB GLN A 82 5.405 0.681 -12.143 1.00 0.00 C ATOM 1315 CG GLN A 82 4.847 0.434 -13.566 1.00 0.00 C ATOM 1316 CD GLN A 82 5.778 0.846 -14.716 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.003 0.787 -14.605 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.193 1.280 -15.825 1.00 0.00 N ATOM 0 H GLN A 82 5.833 1.495 -9.834 1.00 0.00 H new ATOM 0 HA GLN A 82 6.740 2.358 -12.426 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.258 0.020 -11.988 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.643 0.393 -11.419 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.616 -0.626 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.907 0.976 -13.669 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.175 1.316 -15.884 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.761 1.577 -16.618 1.00 0.00 H new ATOM 1327 N LEU A 83 3.735 3.293 -11.408 1.00 0.00 N ATOM 1328 CA LEU A 83 2.597 4.213 -11.627 1.00 0.00 C ATOM 1329 C LEU A 83 3.054 5.667 -11.502 1.00 0.00 C ATOM 1330 O LEU A 83 2.481 6.544 -12.136 1.00 0.00 O ATOM 1331 CB LEU A 83 1.460 3.925 -10.609 1.00 0.00 C ATOM 1332 CG LEU A 83 0.639 2.615 -10.834 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.360 2.371 -9.683 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.060 2.623 -12.210 1.00 0.00 C ATOM 0 H LEU A 83 3.658 2.757 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 83 2.215 4.050 -12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.897 3.887 -9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.769 4.768 -10.622 1.00 0.00 H new ATOM 0 HG LEU A 83 1.339 1.780 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.915 1.452 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.184 2.281 -8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.055 3.208 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.623 1.699 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.740 3.473 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.689 2.703 -12.998 1.00 0.00 H new ATOM 1346 N LYS A 84 4.091 5.886 -10.682 1.00 0.00 N ATOM 1347 CA LYS A 84 4.750 7.194 -10.517 1.00 0.00 C ATOM 1348 C LYS A 84 5.417 7.640 -11.836 1.00 0.00 C ATOM 1349 O LYS A 84 5.332 8.813 -12.230 1.00 0.00 O ATOM 1350 CB LYS A 84 5.800 7.073 -9.392 1.00 0.00 C ATOM 1351 CG LYS A 84 6.527 8.381 -9.002 1.00 0.00 C ATOM 1352 CD LYS A 84 7.437 8.197 -7.765 1.00 0.00 C ATOM 1353 CE LYS A 84 8.459 7.058 -7.949 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.249 6.808 -6.731 1.00 0.00 N ATOM 0 H LYS A 84 4.503 5.152 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 84 4.009 7.948 -10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.309 6.675 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.548 6.342 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.127 8.726 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.790 9.157 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.967 9.128 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.819 7.989 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.934 6.145 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.132 7.306 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.999 6.118 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.677 7.698 -6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.629 6.430 -5.986 1.00 0.00 H new ATOM 1368 N ALA A 85 6.052 6.663 -12.513 1.00 0.00 N ATOM 1369 CA ALA A 85 6.740 6.880 -13.798 1.00 0.00 C ATOM 1370 C ALA A 85 5.716 7.117 -14.925 1.00 0.00 C ATOM 1371 O ALA A 85 5.975 7.891 -15.848 1.00 0.00 O ATOM 1372 CB ALA A 85 7.663 5.687 -14.114 1.00 0.00 C ATOM 0 H ALA A 85 6.101 5.699 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 85 7.360 7.774 -13.723 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.166 5.858 -15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.407 5.583 -13.324 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.070 4.775 -14.176 1.00 0.00 H new ATOM 1378 N GLU A 86 4.553 6.449 -14.820 1.00 0.00 N ATOM 1379 CA GLU A 86 3.429 6.624 -15.763 1.00 0.00 C ATOM 1380 C GLU A 86 2.728 7.989 -15.547 1.00 0.00 C ATOM 1381 O GLU A 86 2.308 8.642 -16.509 1.00 0.00 O ATOM 1382 CB GLU A 86 2.416 5.460 -15.602 1.00 0.00 C ATOM 1383 CG GLU A 86 2.991 4.070 -15.955 1.00 0.00 C ATOM 1384 CD GLU A 86 1.993 2.919 -15.715 1.00 0.00 C ATOM 1385 OE1 GLU A 86 1.012 2.807 -16.484 1.00 0.00 O ATOM 1386 OE2 GLU A 86 2.181 2.126 -14.767 1.00 0.00 O ATOM 0 H GLU A 86 4.364 5.773 -14.080 1.00 0.00 H new ATOM 0 HA GLU A 86 3.826 6.610 -16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.059 5.443 -14.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.551 5.655 -16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.296 4.065 -17.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.888 3.894 -15.361 1.00 0.00 H new ATOM 1393 N SER A 87 2.630 8.408 -14.268 1.00 0.00 N ATOM 1394 CA SER A 87 2.032 9.707 -13.870 1.00 0.00 C ATOM 1395 C SER A 87 2.918 10.895 -14.304 1.00 0.00 C ATOM 1396 O SER A 87 2.433 12.027 -14.386 1.00 0.00 O ATOM 1397 CB SER A 87 1.797 9.744 -12.339 1.00 0.00 C ATOM 1398 OG SER A 87 0.844 8.773 -11.933 1.00 0.00 O ATOM 0 H SER A 87 2.963 7.856 -13.478 1.00 0.00 H new ATOM 0 HA SER A 87 1.073 9.802 -14.380 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.740 9.568 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.453 10.736 -12.047 1.00 0.00 H new ATOM 0 HG SER A 87 1.262 7.886 -11.929 1.00 0.00 H new ATOM 1404 N ALA A 88 4.214 10.622 -14.585 1.00 0.00 N ATOM 1405 CA ALA A 88 5.164 11.630 -15.104 1.00 0.00 C ATOM 1406 C ALA A 88 4.761 12.098 -16.525 1.00 0.00 C ATOM 1407 O ALA A 88 5.054 13.235 -16.915 1.00 0.00 O ATOM 1408 CB ALA A 88 6.597 11.067 -15.099 1.00 0.00 C ATOM 0 H ALA A 88 4.628 9.698 -14.458 1.00 0.00 H new ATOM 0 HA ALA A 88 5.131 12.499 -14.447 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.285 11.820 -15.484 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.881 10.803 -14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.641 10.179 -15.730 1.00 0.00 H new ATOM 1414 N LEU A 89 4.070 11.208 -17.276 1.00 0.00 N ATOM 1415 CA LEU A 89 3.542 11.513 -18.629 1.00 0.00 C ATOM 1416 C LEU A 89 2.325 12.464 -18.540 1.00 0.00 C ATOM 1417 O LEU A 89 2.060 13.221 -19.479 1.00 0.00 O ATOM 1418 CB LEU A 89 3.132 10.207 -19.393 1.00 0.00 C ATOM 1419 CG LEU A 89 4.288 9.283 -19.922 1.00 0.00 C ATOM 1420 CD1 LEU A 89 5.153 8.701 -18.786 1.00 0.00 C ATOM 1421 CD2 LEU A 89 3.727 8.157 -20.826 1.00 0.00 C ATOM 0 H LEU A 89 3.863 10.260 -16.963 1.00 0.00 H new ATOM 0 HA LEU A 89 4.341 12.002 -19.185 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.503 9.613 -18.730 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.515 10.495 -20.244 1.00 0.00 H new ATOM 0 HG LEU A 89 4.944 9.914 -20.521 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.935 8.071 -19.210 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.609 9.515 -18.222 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.528 8.105 -18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.547 7.532 -21.179 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.026 7.548 -20.256 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.213 8.598 -21.680 1.00 0.00 H new ATOM 1433 N GLU A 90 1.594 12.401 -17.406 1.00 0.00 N ATOM 1434 CA GLU A 90 0.356 13.171 -17.196 1.00 0.00 C ATOM 1435 C GLU A 90 0.680 14.635 -16.815 1.00 0.00 C ATOM 1436 CB GLU A 90 -0.538 12.465 -16.124 1.00 0.00 C ATOM 1437 CG GLU A 90 -0.946 11.020 -16.487 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.665 10.926 -17.845 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.818 11.398 -17.948 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.077 10.409 -18.823 1.00 0.00 O ATOM 0 H GLU A 90 1.849 11.814 -16.612 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.209 13.204 -18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.003 12.451 -15.174 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.440 13.058 -15.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.056 10.391 -16.508 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.598 10.625 -15.708 1.00 0.00 H new