USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 73 ASN : amide:sc= -0.295 K(o=-0.7,f=-1.3) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -0.407 F(o=-2.8,f=-0.7) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.814 K(o=-3.1,f=-3.6) USER MOD Set 2.2: A 25 ASN : amide:sc= -2.28! C(o=-3.1!,f=-6.5!) USER MOD Single : A 1 SER N :NH3+ -109:sc= -4.17! (180deg=-6.14!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.4!) USER MOD Single : A 14 GLN : amide:sc= -3.5 K(o=-3.5,f=-6.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -68:sc= 0.739 USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= 1.01 (180deg=-0.0817) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 145:sc= -2.26! USER MOD Single : A 66 GLN : amide:sc= -4.15! C(o=-4.2!,f=-5.4!) USER MOD Single : A 71 TYR OH : rot -85:sc= 1 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -3.23! C(o=-4.8!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.553 -8.929 -9.062 1.00 0.00 N ATOM 2 CA SER A 1 -8.284 -10.047 -9.950 1.00 0.00 C ATOM 3 C SER A 1 -6.816 -10.032 -10.382 1.00 0.00 C ATOM 4 O SER A 1 -6.081 -10.986 -10.131 1.00 0.00 O ATOM 5 CB SER A 1 -9.198 -10.009 -11.177 1.00 0.00 C ATOM 6 OG SER A 1 -9.510 -11.316 -11.651 1.00 0.00 O ATOM 0 H1 SER A 1 -8.701 -9.282 -8.095 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.744 -8.275 -9.072 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.406 -8.429 -9.383 1.00 0.00 H new ATOM 0 HA SER A 1 -8.487 -10.970 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.120 -9.485 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.714 -9.441 -11.972 1.00 0.00 H new ATOM 0 HG SER A 1 -10.096 -11.249 -12.433 1.00 0.00 H new ATOM 12 N THR A 2 -6.433 -8.938 -11.025 1.00 0.00 N ATOM 13 CA THR A 2 -5.067 -8.786 -11.494 1.00 0.00 C ATOM 14 C THR A 2 -4.201 -8.136 -10.412 1.00 0.00 C ATOM 15 O THR A 2 -4.721 -7.565 -9.456 1.00 0.00 O ATOM 16 CB THR A 2 -5.101 -7.993 -12.802 1.00 0.00 C ATOM 17 OG1 THR A 2 -6.111 -7.012 -12.587 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.631 -8.822 -13.974 1.00 0.00 C ATOM 0 H THR A 2 -7.045 -8.149 -11.232 1.00 0.00 H new ATOM 0 HA THR A 2 -4.608 -9.754 -11.696 1.00 0.00 H new ATOM 0 HB THR A 2 -4.099 -7.633 -13.035 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.198 -6.452 -13.386 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.635 -8.213 -14.878 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.990 -9.691 -14.124 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.646 -9.153 -13.756 1.00 0.00 H new ATOM 26 N ILE A 3 -2.894 -8.245 -10.601 1.00 0.00 N ATOM 27 CA ILE A 3 -1.951 -7.675 -9.654 1.00 0.00 C ATOM 28 C ILE A 3 -2.377 -6.245 -9.315 1.00 0.00 C ATOM 29 O ILE A 3 -2.910 -5.991 -8.236 1.00 0.00 O ATOM 30 CB ILE A 3 -0.522 -7.780 -10.191 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.144 -9.076 -9.725 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.298 -6.546 -9.812 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.825 -8.886 -8.368 1.00 0.00 C ATOM 0 H ILE A 3 -2.466 -8.720 -11.396 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.959 -8.240 -8.722 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.567 -7.814 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.602 -9.867 -9.654 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.879 -9.397 -10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.309 -6.646 -10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.169 -5.656 -10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.339 -6.455 -8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.290 -9.822 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.587 -8.111 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.083 -8.589 -7.627 1.00 0.00 H new ATOM 45 N GLU A 4 -2.125 -5.347 -10.257 1.00 0.00 N ATOM 46 CA GLU A 4 -2.476 -3.950 -10.072 1.00 0.00 C ATOM 47 C GLU A 4 -3.899 -3.827 -9.524 1.00 0.00 C ATOM 48 O GLU A 4 -4.125 -3.155 -8.519 1.00 0.00 O ATOM 49 CB GLU A 4 -2.322 -3.168 -11.378 1.00 0.00 C ATOM 50 CG GLU A 4 -3.092 -1.847 -11.321 1.00 0.00 C ATOM 51 CD GLU A 4 -2.814 -0.996 -12.561 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.674 -0.894 -13.448 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.656 -0.428 -12.584 1.00 0.00 O ATOM 0 H GLU A 4 -1.682 -5.561 -11.150 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.789 -3.517 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.267 -2.970 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.686 -3.769 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.161 -2.048 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.808 -1.295 -10.425 1.00 0.00 H new ATOM 61 N GLU A 5 -4.821 -4.488 -10.208 1.00 0.00 N ATOM 62 CA GLU A 5 -6.216 -4.461 -9.802 1.00 0.00 C ATOM 63 C GLU A 5 -6.325 -4.486 -8.276 1.00 0.00 C ATOM 64 O GLU A 5 -6.952 -3.610 -7.681 1.00 0.00 O ATOM 65 CB GLU A 5 -6.991 -5.624 -10.426 1.00 0.00 C ATOM 66 CG GLU A 5 -8.257 -5.932 -9.625 1.00 0.00 C ATOM 67 CD GLU A 5 -9.385 -6.408 -10.543 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.517 -5.915 -10.442 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.050 -7.325 -11.386 1.00 0.00 O ATOM 0 H GLU A 5 -4.630 -5.045 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.662 -3.534 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.258 -5.378 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.356 -6.509 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.043 -6.698 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.575 -5.041 -9.084 1.00 0.00 H new ATOM 77 N ARG A 6 -5.707 -5.498 -7.686 1.00 0.00 N ATOM 78 CA ARG A 6 -5.727 -5.648 -6.241 1.00 0.00 C ATOM 79 C ARG A 6 -5.092 -4.427 -5.572 1.00 0.00 C ATOM 80 O ARG A 6 -5.626 -3.903 -4.595 1.00 0.00 O ATOM 81 CB ARG A 6 -4.974 -6.907 -5.808 1.00 0.00 C ATOM 82 CG ARG A 6 -5.884 -8.136 -5.860 1.00 0.00 C ATOM 83 CD ARG A 6 -5.169 -9.371 -5.308 1.00 0.00 C ATOM 84 NE ARG A 6 -5.177 -10.453 -6.319 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.265 -11.187 -6.633 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.445 -10.962 -6.017 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.158 -12.129 -7.552 1.00 0.00 N ATOM 0 H ARG A 6 -5.189 -6.223 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.768 -5.736 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.112 -7.061 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.591 -6.776 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.789 -7.947 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.194 -8.320 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.143 -9.119 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.661 -9.710 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.306 -10.656 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.519 -10.232 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.262 -11.522 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.263 -12.293 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.971 -12.693 -7.801 1.00 0.00 H new ATOM 100 N VAL A 7 -3.963 -4.009 -6.125 1.00 0.00 N ATOM 101 CA VAL A 7 -3.251 -2.859 -5.594 1.00 0.00 C ATOM 102 C VAL A 7 -4.209 -1.670 -5.499 1.00 0.00 C ATOM 103 O VAL A 7 -4.532 -1.214 -4.404 1.00 0.00 O ATOM 104 CB VAL A 7 -2.017 -2.567 -6.450 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.279 -1.327 -5.943 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.084 -3.778 -6.500 1.00 0.00 C ATOM 0 H VAL A 7 -3.524 -4.446 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.889 -3.065 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.355 -2.364 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.406 -1.142 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.945 -0.465 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.959 -1.489 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.215 -3.543 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.757 -4.027 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.614 -4.628 -6.930 1.00 0.00 H new ATOM 116 N LYS A 8 -4.636 -1.202 -6.663 1.00 0.00 N ATOM 117 CA LYS A 8 -5.550 -0.074 -6.725 1.00 0.00 C ATOM 118 C LYS A 8 -6.634 -0.242 -5.658 1.00 0.00 C ATOM 119 O LYS A 8 -6.941 0.698 -4.927 1.00 0.00 O ATOM 120 CB LYS A 8 -6.103 0.090 -8.142 1.00 0.00 C ATOM 121 CG LYS A 8 -5.334 1.168 -8.909 1.00 0.00 C ATOM 122 CD LYS A 8 -4.706 0.594 -10.180 1.00 0.00 C ATOM 123 CE LYS A 8 -5.366 1.179 -11.430 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.706 0.585 -11.634 1.00 0.00 N ATOM 0 H LYS A 8 -4.366 -1.583 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.024 0.855 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.035 -0.859 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.159 0.355 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.007 1.985 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.555 1.587 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.638 0.812 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.810 -0.491 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.453 2.261 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.740 0.988 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.140 0.993 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.615 -0.445 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.305 0.789 -10.809 1.00 0.00 H new ATOM 137 N LYS A 9 -7.183 -1.447 -5.603 1.00 0.00 N ATOM 138 CA LYS A 9 -8.226 -1.750 -4.638 1.00 0.00 C ATOM 139 C LYS A 9 -7.752 -1.351 -3.239 1.00 0.00 C ATOM 140 O LYS A 9 -8.324 -0.457 -2.617 1.00 0.00 O ATOM 141 CB LYS A 9 -8.648 -3.217 -4.749 1.00 0.00 C ATOM 142 CG LYS A 9 -10.172 -3.353 -4.711 1.00 0.00 C ATOM 143 CD LYS A 9 -10.668 -3.571 -3.281 1.00 0.00 C ATOM 144 CE LYS A 9 -12.196 -3.520 -3.217 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.655 -3.500 -1.810 1.00 0.00 N ATOM 0 H LYS A 9 -6.925 -2.224 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.122 -1.167 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.264 -3.640 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.208 -3.789 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.631 -2.456 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.482 -4.189 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.317 -4.535 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.247 -2.808 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.558 -2.633 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.617 -4.384 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.694 -3.465 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.325 -4.359 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.269 -2.662 -1.331 1.00 0.00 H new ATOM 158 N ILE A 10 -6.711 -2.034 -2.784 1.00 0.00 N ATOM 159 CA ILE A 10 -6.154 -1.761 -1.470 1.00 0.00 C ATOM 160 C ILE A 10 -5.842 -0.268 -1.353 1.00 0.00 C ATOM 161 O ILE A 10 -6.198 0.368 -0.363 1.00 0.00 O ATOM 162 CB ILE A 10 -4.949 -2.665 -1.202 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.336 -4.141 -1.306 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.305 -2.335 0.147 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.606 -4.736 0.077 1.00 0.00 C ATOM 0 H ILE A 10 -6.239 -2.775 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.880 -1.996 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.201 -2.474 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.224 -4.245 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.536 -4.697 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.451 -2.992 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.970 -1.298 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.035 -2.480 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.879 -5.786 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.709 -4.653 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.423 -4.194 0.553 1.00 0.00 H new ATOM 177 N ILE A 11 -5.179 0.247 -2.378 1.00 0.00 N ATOM 178 CA ILE A 11 -4.814 1.654 -2.402 1.00 0.00 C ATOM 179 C ILE A 11 -6.052 2.502 -2.102 1.00 0.00 C ATOM 180 O ILE A 11 -5.955 3.534 -1.439 1.00 0.00 O ATOM 181 CB ILE A 11 -4.133 2.008 -3.725 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.889 1.145 -3.949 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.813 3.503 -3.795 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.645 1.813 -3.360 1.00 0.00 C ATOM 0 H ILE A 11 -4.885 -0.284 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.081 1.871 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.828 1.789 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.033 0.167 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.745 0.978 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.329 3.727 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.736 4.077 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.145 3.771 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.775 1.179 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.490 2.780 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.782 1.957 -2.288 1.00 0.00 H new ATOM 196 N GLY A 12 -7.186 2.036 -2.604 1.00 0.00 N ATOM 197 CA GLY A 12 -8.441 2.739 -2.397 1.00 0.00 C ATOM 198 C GLY A 12 -8.876 2.664 -0.933 1.00 0.00 C ATOM 199 O GLY A 12 -9.725 3.439 -0.494 1.00 0.00 O ATOM 0 H GLY A 12 -7.262 1.180 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.331 3.782 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.214 2.306 -3.032 1.00 0.00 H new ATOM 203 N GLN A 13 -8.276 1.725 -0.217 1.00 0.00 N ATOM 204 CA GLN A 13 -8.591 1.539 1.189 1.00 0.00 C ATOM 205 C GLN A 13 -7.566 2.264 2.063 1.00 0.00 C ATOM 206 O GLN A 13 -7.902 2.765 3.135 1.00 0.00 O ATOM 207 CB GLN A 13 -8.661 0.052 1.544 1.00 0.00 C ATOM 208 CG GLN A 13 -10.052 -0.325 2.056 1.00 0.00 C ATOM 209 CD GLN A 13 -9.958 -1.147 3.343 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.936 -1.730 3.665 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.079 -1.161 4.059 1.00 0.00 N ATOM 0 H GLN A 13 -7.573 1.084 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.573 1.971 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.418 -0.547 0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.915 -0.179 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.633 0.579 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.582 -0.896 1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.900 -0.651 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.118 -1.682 4.935 1.00 0.00 H new ATOM 220 N GLN A 14 -6.335 2.296 1.573 1.00 0.00 N ATOM 221 CA GLN A 14 -5.259 2.951 2.297 1.00 0.00 C ATOM 222 C GLN A 14 -5.709 4.330 2.785 1.00 0.00 C ATOM 223 O GLN A 14 -5.201 4.834 3.785 1.00 0.00 O ATOM 224 CB GLN A 14 -4.003 3.060 1.430 1.00 0.00 C ATOM 225 CG GLN A 14 -3.554 1.682 0.939 1.00 0.00 C ATOM 226 CD GLN A 14 -2.219 1.772 0.198 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.784 2.831 -0.225 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.594 0.606 0.066 1.00 0.00 N ATOM 0 H GLN A 14 -6.059 1.879 0.684 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.010 2.343 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.202 3.707 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.201 3.525 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.458 1.003 1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.313 1.262 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.014 -0.243 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.695 0.561 -0.413 1.00 0.00 H new ATOM 237 N LEU A 15 -6.658 4.899 2.056 1.00 0.00 N ATOM 238 CA LEU A 15 -7.183 6.209 2.403 1.00 0.00 C ATOM 239 C LEU A 15 -8.641 6.306 1.949 1.00 0.00 C ATOM 240 O LEU A 15 -9.166 7.404 1.769 1.00 0.00 O ATOM 241 CB LEU A 15 -6.287 7.312 1.835 1.00 0.00 C ATOM 242 CG LEU A 15 -5.017 7.622 2.630 1.00 0.00 C ATOM 243 CD1 LEU A 15 -4.290 8.836 2.050 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.331 7.798 4.117 1.00 0.00 C ATOM 0 H LEU A 15 -7.077 4.477 1.227 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.176 6.349 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.998 7.032 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.875 8.226 1.757 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.342 6.771 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.391 9.035 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.014 8.634 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.946 9.705 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.411 8.017 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.034 8.621 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.772 6.881 4.507 1.00 0.00 H new ATOM 256 N GLY A 16 -9.252 5.144 1.778 1.00 0.00 N ATOM 257 CA GLY A 16 -10.639 5.084 1.350 1.00 0.00 C ATOM 258 C GLY A 16 -10.844 5.856 0.045 1.00 0.00 C ATOM 259 O GLY A 16 -11.927 6.381 -0.207 1.00 0.00 O ATOM 0 H GLY A 16 -8.812 4.236 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.936 4.044 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.281 5.499 2.127 1.00 0.00 H new ATOM 263 N VAL A 17 -9.785 5.902 -0.751 1.00 0.00 N ATOM 264 CA VAL A 17 -9.835 6.601 -2.023 1.00 0.00 C ATOM 265 C VAL A 17 -10.619 5.760 -3.032 1.00 0.00 C ATOM 266 O VAL A 17 -10.946 4.605 -2.763 1.00 0.00 O ATOM 267 CB VAL A 17 -8.417 6.932 -2.494 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.446 7.864 -3.707 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.589 7.535 -1.358 1.00 0.00 C ATOM 0 H VAL A 17 -8.888 5.466 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.358 7.551 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.939 6.001 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.426 8.084 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.982 7.381 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.951 8.792 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.586 7.761 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.064 8.452 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.526 6.823 -0.535 1.00 0.00 H new ATOM 279 N LYS A 18 -10.899 6.372 -4.174 1.00 0.00 N ATOM 280 CA LYS A 18 -11.638 5.694 -5.225 1.00 0.00 C ATOM 281 C LYS A 18 -10.654 5.120 -6.246 1.00 0.00 C ATOM 282 O LYS A 18 -9.562 4.685 -5.885 1.00 0.00 O ATOM 283 CB LYS A 18 -12.682 6.631 -5.836 1.00 0.00 C ATOM 284 CG LYS A 18 -13.962 5.871 -6.187 1.00 0.00 C ATOM 285 CD LYS A 18 -14.476 6.272 -7.572 1.00 0.00 C ATOM 286 CE LYS A 18 -15.990 6.076 -7.673 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.667 7.375 -7.880 1.00 0.00 N ATOM 0 H LYS A 18 -10.627 7.330 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.199 4.854 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.912 7.433 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.275 7.099 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.770 4.798 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.727 6.075 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.227 7.315 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.977 5.676 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.221 5.403 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.363 5.605 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.694 7.225 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.461 8.006 -7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.323 7.809 -8.760 1.00 0.00 H new ATOM 300 N GLN A 19 -11.077 5.138 -7.502 1.00 0.00 N ATOM 301 CA GLN A 19 -10.247 4.625 -8.578 1.00 0.00 C ATOM 302 C GLN A 19 -9.717 5.776 -9.435 1.00 0.00 C ATOM 303 O GLN A 19 -8.535 5.809 -9.774 1.00 0.00 O ATOM 304 CB GLN A 19 -11.018 3.616 -9.432 1.00 0.00 C ATOM 305 CG GLN A 19 -10.611 2.182 -9.088 1.00 0.00 C ATOM 306 CD GLN A 19 -11.549 1.171 -9.752 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.359 1.503 -10.601 1.00 0.00 O ATOM 308 NE2 GLN A 19 -11.394 -0.076 -9.318 1.00 0.00 N ATOM 0 H GLN A 19 -11.984 5.500 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.397 4.104 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.089 3.742 -9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.829 3.808 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.587 2.003 -9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.629 2.045 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.696 -0.284 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.973 -0.824 -9.699 1.00 0.00 H new ATOM 317 N GLU A 20 -10.617 6.693 -9.760 1.00 0.00 N ATOM 318 CA GLU A 20 -10.254 7.843 -10.571 1.00 0.00 C ATOM 319 C GLU A 20 -9.249 8.723 -9.824 1.00 0.00 C ATOM 320 O GLU A 20 -8.447 9.418 -10.445 1.00 0.00 O ATOM 321 CB GLU A 20 -11.495 8.645 -10.970 1.00 0.00 C ATOM 322 CG GLU A 20 -11.996 8.227 -12.354 1.00 0.00 C ATOM 323 CD GLU A 20 -13.500 8.475 -12.490 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.269 8.138 -11.577 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.862 9.041 -13.591 1.00 0.00 O ATOM 0 H GLU A 20 -11.596 6.663 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.783 7.484 -11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.283 8.493 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.260 9.709 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.461 8.785 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.781 7.171 -12.519 1.00 0.00 H new ATOM 333 N GLU A 21 -9.326 8.663 -8.503 1.00 0.00 N ATOM 334 CA GLU A 21 -8.433 9.446 -7.666 1.00 0.00 C ATOM 335 C GLU A 21 -7.095 8.723 -7.497 1.00 0.00 C ATOM 336 O GLU A 21 -6.118 9.317 -7.042 1.00 0.00 O ATOM 337 CB GLU A 21 -9.072 9.740 -6.307 1.00 0.00 C ATOM 338 CG GLU A 21 -9.744 11.115 -6.304 1.00 0.00 C ATOM 339 CD GLU A 21 -11.246 10.991 -6.038 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.991 10.511 -6.904 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.631 11.413 -4.881 1.00 0.00 O ATOM 0 H GLU A 21 -9.993 8.085 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.249 10.401 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.808 8.971 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.311 9.701 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.287 11.745 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.580 11.606 -7.263 1.00 0.00 H new ATOM 349 N VAL A 22 -7.093 7.453 -7.872 1.00 0.00 N ATOM 350 CA VAL A 22 -5.891 6.643 -7.768 1.00 0.00 C ATOM 351 C VAL A 22 -5.726 5.816 -9.044 1.00 0.00 C ATOM 352 O VAL A 22 -5.410 4.629 -8.982 1.00 0.00 O ATOM 353 CB VAL A 22 -5.946 5.785 -6.502 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.694 4.914 -6.375 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.138 6.654 -5.258 1.00 0.00 C ATOM 0 H VAL A 22 -7.905 6.964 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.010 7.278 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.808 5.123 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.759 4.314 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.620 4.255 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.811 5.551 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.174 6.019 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.306 7.353 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.071 7.210 -5.343 1.00 0.00 H new ATOM 365 N THR A 23 -5.948 6.476 -10.172 1.00 0.00 N ATOM 366 CA THR A 23 -5.828 5.816 -11.461 1.00 0.00 C ATOM 367 C THR A 23 -4.487 5.086 -11.563 1.00 0.00 C ATOM 368 O THR A 23 -3.723 5.046 -10.600 1.00 0.00 O ATOM 369 CB THR A 23 -6.031 6.870 -12.551 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.881 7.704 -12.447 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.201 7.808 -12.249 1.00 0.00 C ATOM 0 H THR A 23 -6.210 7.461 -10.220 1.00 0.00 H new ATOM 0 HA THR A 23 -6.591 5.047 -11.585 1.00 0.00 H new ATOM 0 HB THR A 23 -6.201 6.374 -13.507 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.930 8.415 -13.120 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.301 8.536 -13.054 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.121 7.228 -12.168 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.017 8.329 -11.309 1.00 0.00 H new ATOM 379 N ASN A 24 -4.242 4.528 -12.740 1.00 0.00 N ATOM 380 CA ASN A 24 -3.007 3.801 -12.981 1.00 0.00 C ATOM 381 C ASN A 24 -1.912 4.788 -13.389 1.00 0.00 C ATOM 382 O ASN A 24 -1.213 4.571 -14.378 1.00 0.00 O ATOM 383 CB ASN A 24 -3.177 2.788 -14.114 1.00 0.00 C ATOM 384 CG ASN A 24 -3.887 3.419 -15.313 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.277 4.022 -16.182 1.00 0.00 O ATOM 386 ND2 ASN A 24 -5.206 3.248 -15.312 1.00 0.00 N ATOM 0 H ASN A 24 -4.878 4.565 -13.537 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.740 3.275 -12.064 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.200 2.414 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.749 1.931 -13.758 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.771 3.632 -16.070 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.653 2.733 -14.554 1.00 0.00 H new ATOM 393 N ASN A 25 -1.796 5.852 -12.608 1.00 0.00 N ATOM 394 CA ASN A 25 -0.798 6.873 -12.876 1.00 0.00 C ATOM 395 C ASN A 25 -1.123 8.125 -12.059 1.00 0.00 C ATOM 396 O ASN A 25 -1.024 9.243 -12.563 1.00 0.00 O ATOM 397 CB ASN A 25 -0.792 7.262 -14.356 1.00 0.00 C ATOM 398 CG ASN A 25 -2.217 7.431 -14.884 1.00 0.00 C ATOM 399 OD1 ASN A 25 -2.935 6.474 -15.126 1.00 0.00 O ATOM 400 ND2 ASN A 25 -2.587 8.697 -15.050 1.00 0.00 N ATOM 0 H ASN A 25 -2.377 6.029 -11.789 1.00 0.00 H new ATOM 0 HA ASN A 25 0.178 6.470 -12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.238 8.191 -14.489 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.274 6.497 -14.935 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.521 8.914 -15.399 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.937 9.451 -14.828 1.00 0.00 H new ATOM 407 N ALA A 26 -1.503 7.896 -10.811 1.00 0.00 N ATOM 408 CA ALA A 26 -1.843 8.991 -9.919 1.00 0.00 C ATOM 409 C ALA A 26 -0.638 9.314 -9.033 1.00 0.00 C ATOM 410 O ALA A 26 0.275 8.501 -8.900 1.00 0.00 O ATOM 411 CB ALA A 26 -3.083 8.621 -9.104 1.00 0.00 C ATOM 0 H ALA A 26 -1.583 6.968 -10.396 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.084 9.889 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.337 9.443 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.918 8.430 -9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.879 7.726 -8.517 1.00 0.00 H new ATOM 417 N SER A 27 -0.675 10.503 -8.449 1.00 0.00 N ATOM 418 CA SER A 27 0.402 10.944 -7.579 1.00 0.00 C ATOM 419 C SER A 27 0.036 10.679 -6.117 1.00 0.00 C ATOM 420 O SER A 27 -1.000 10.080 -5.832 1.00 0.00 O ATOM 421 CB SER A 27 0.708 12.428 -7.790 1.00 0.00 C ATOM 422 OG SER A 27 1.888 12.625 -8.564 1.00 0.00 O ATOM 0 H SER A 27 -1.434 11.175 -8.561 1.00 0.00 H new ATOM 0 HA SER A 27 1.299 10.377 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.136 12.905 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.824 12.915 -6.822 1.00 0.00 H new ATOM 0 HG SER A 27 2.048 13.585 -8.678 1.00 0.00 H new ATOM 428 N PHE A 28 0.905 11.139 -5.230 1.00 0.00 N ATOM 429 CA PHE A 28 0.686 10.960 -3.805 1.00 0.00 C ATOM 430 C PHE A 28 0.523 12.309 -3.101 1.00 0.00 C ATOM 431 O PHE A 28 -0.482 12.548 -2.434 1.00 0.00 O ATOM 432 CB PHE A 28 1.923 10.254 -3.247 1.00 0.00 C ATOM 433 CG PHE A 28 1.677 8.802 -2.832 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.050 7.948 -3.684 1.00 0.00 C ATOM 435 CD2 PHE A 28 2.084 8.366 -1.609 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.821 6.601 -3.298 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.855 7.019 -1.224 1.00 0.00 C ATOM 438 CZ PHE A 28 1.228 6.165 -2.076 1.00 0.00 C ATOM 0 H PHE A 28 1.763 11.636 -5.470 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.223 10.381 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.712 10.278 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.288 10.811 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.726 8.294 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.581 9.044 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.323 5.923 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.179 6.672 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.053 5.141 -1.782 1.00 0.00 H new ATOM 448 N VAL A 29 1.527 13.156 -3.275 1.00 0.00 N ATOM 449 CA VAL A 29 1.508 14.475 -2.665 1.00 0.00 C ATOM 450 C VAL A 29 0.642 15.410 -3.511 1.00 0.00 C ATOM 451 O VAL A 29 0.178 16.441 -3.025 1.00 0.00 O ATOM 452 CB VAL A 29 2.938 14.987 -2.481 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.982 16.142 -1.478 1.00 0.00 C ATOM 454 CG2 VAL A 29 3.875 13.855 -2.055 1.00 0.00 C ATOM 0 H VAL A 29 2.359 12.955 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 29 1.063 14.430 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 29 3.285 15.365 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.010 16.487 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.361 16.962 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.606 15.801 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.885 14.246 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.531 13.434 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.878 13.078 -2.819 1.00 0.00 H new ATOM 464 N GLU A 30 0.450 15.018 -4.762 1.00 0.00 N ATOM 465 CA GLU A 30 -0.352 15.809 -5.679 1.00 0.00 C ATOM 466 C GLU A 30 -1.791 15.290 -5.709 1.00 0.00 C ATOM 467 O GLU A 30 -2.674 15.931 -6.276 1.00 0.00 O ATOM 468 CB GLU A 30 0.260 15.809 -7.082 1.00 0.00 C ATOM 469 CG GLU A 30 0.719 17.214 -7.479 1.00 0.00 C ATOM 470 CD GLU A 30 0.216 17.580 -8.877 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.094 16.686 -9.678 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.152 18.845 -9.120 1.00 0.00 O ATOM 0 H GLU A 30 0.836 14.163 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.365 16.839 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.107 15.123 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.472 15.444 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.350 17.940 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.808 17.265 -7.455 1.00 0.00 H new ATOM 480 N ASP A 31 -1.982 14.133 -5.092 1.00 0.00 N ATOM 481 CA ASP A 31 -3.298 13.520 -5.041 1.00 0.00 C ATOM 482 C ASP A 31 -3.717 13.343 -3.580 1.00 0.00 C ATOM 483 O ASP A 31 -4.587 14.060 -3.089 1.00 0.00 O ATOM 484 CB ASP A 31 -3.290 12.140 -5.702 1.00 0.00 C ATOM 485 CG ASP A 31 -4.597 11.355 -5.576 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.692 11.937 -5.553 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.459 10.075 -5.499 1.00 0.00 O ATOM 0 H ASP A 31 -1.247 13.604 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.993 14.170 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.058 12.262 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.485 11.549 -5.265 1.00 0.00 H new ATOM 493 N LEU A 32 -3.078 12.383 -2.927 1.00 0.00 N ATOM 494 CA LEU A 32 -3.374 12.102 -1.533 1.00 0.00 C ATOM 495 C LEU A 32 -2.461 12.948 -0.642 1.00 0.00 C ATOM 496 O LEU A 32 -2.198 12.587 0.504 1.00 0.00 O ATOM 497 CB LEU A 32 -3.281 10.600 -1.257 1.00 0.00 C ATOM 498 CG LEU A 32 -4.560 9.794 -1.498 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.331 8.308 -1.218 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.725 10.359 -0.683 1.00 0.00 C ATOM 0 H LEU A 32 -2.357 11.790 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.401 12.383 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.490 10.184 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.976 10.459 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.830 9.885 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.255 7.758 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.550 7.930 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.025 8.176 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.622 9.769 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.480 10.317 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.904 11.394 -0.974 1.00 0.00 H new ATOM 512 N GLY A 33 -2.003 14.058 -1.203 1.00 0.00 N ATOM 513 CA GLY A 33 -1.126 14.958 -0.474 1.00 0.00 C ATOM 514 C GLY A 33 -0.143 14.176 0.400 1.00 0.00 C ATOM 515 O GLY A 33 0.293 14.666 1.441 1.00 0.00 O ATOM 0 H GLY A 33 -2.223 14.354 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.575 15.584 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.721 15.626 0.149 1.00 0.00 H new ATOM 519 N ALA A 34 0.178 12.974 -0.056 1.00 0.00 N ATOM 520 CA ALA A 34 1.102 12.121 0.672 1.00 0.00 C ATOM 521 C ALA A 34 0.752 12.150 2.161 1.00 0.00 C ATOM 522 O ALA A 34 1.238 13.005 2.900 1.00 0.00 O ATOM 523 CB ALA A 34 2.538 12.574 0.401 1.00 0.00 C ATOM 0 H ALA A 34 -0.185 12.571 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 34 1.017 11.088 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.231 11.934 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.746 12.505 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.662 13.606 0.729 1.00 0.00 H new ATOM 529 N ASP A 35 -0.089 11.207 2.558 1.00 0.00 N ATOM 530 CA ASP A 35 -0.510 11.114 3.946 1.00 0.00 C ATOM 531 C ASP A 35 0.242 9.969 4.627 1.00 0.00 C ATOM 532 O ASP A 35 0.388 8.890 4.054 1.00 0.00 O ATOM 533 CB ASP A 35 -2.009 10.824 4.049 1.00 0.00 C ATOM 534 CG ASP A 35 -2.918 11.895 3.444 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.443 12.887 2.872 1.00 0.00 O ATOM 536 OD2 ASP A 35 -4.182 11.677 3.580 1.00 0.00 O ATOM 0 H ASP A 35 -0.491 10.500 1.943 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.294 12.067 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.215 9.874 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.268 10.700 5.100 1.00 0.00 H new ATOM 542 N SER A 36 0.699 10.242 5.840 1.00 0.00 N ATOM 543 CA SER A 36 1.432 9.248 6.605 1.00 0.00 C ATOM 544 C SER A 36 0.650 7.933 6.639 1.00 0.00 C ATOM 545 O SER A 36 1.237 6.860 6.772 1.00 0.00 O ATOM 546 CB SER A 36 1.705 9.739 8.028 1.00 0.00 C ATOM 547 OG SER A 36 3.092 9.692 8.351 1.00 0.00 O ATOM 0 H SER A 36 0.576 11.138 6.312 1.00 0.00 H new ATOM 0 HA SER A 36 2.392 9.081 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.342 10.761 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.147 9.127 8.736 1.00 0.00 H new ATOM 0 HG SER A 36 3.226 10.015 9.267 1.00 0.00 H new ATOM 553 N LEU A 37 -0.663 8.059 6.516 1.00 0.00 N ATOM 554 CA LEU A 37 -1.532 6.894 6.531 1.00 0.00 C ATOM 555 C LEU A 37 -1.303 6.076 5.258 1.00 0.00 C ATOM 556 O LEU A 37 -1.299 4.847 5.298 1.00 0.00 O ATOM 557 CB LEU A 37 -2.988 7.314 6.739 1.00 0.00 C ATOM 558 CG LEU A 37 -3.275 8.142 7.993 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.704 8.688 7.975 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.987 7.334 9.261 1.00 0.00 C ATOM 0 H LEU A 37 -1.147 8.950 6.405 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.288 6.247 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.308 7.887 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.603 6.415 6.773 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.602 9.000 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.882 9.273 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.840 9.322 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.410 7.858 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.199 7.945 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.618 6.445 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.939 7.035 9.272 1.00 0.00 H new ATOM 572 N ASP A 38 -1.118 6.792 4.159 1.00 0.00 N ATOM 573 CA ASP A 38 -0.889 6.148 2.877 1.00 0.00 C ATOM 574 C ASP A 38 0.480 5.465 2.891 1.00 0.00 C ATOM 575 O ASP A 38 0.602 4.303 2.506 1.00 0.00 O ATOM 576 CB ASP A 38 -0.896 7.170 1.738 1.00 0.00 C ATOM 577 CG ASP A 38 -1.786 6.806 0.548 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.927 6.352 0.719 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.256 7.007 -0.611 1.00 0.00 O ATOM 0 H ASP A 38 -1.122 7.812 4.130 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.687 5.424 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.221 8.132 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.126 7.301 1.382 1.00 0.00 H new ATOM 585 N THR A 39 1.476 6.217 3.338 1.00 0.00 N ATOM 586 CA THR A 39 2.831 5.699 3.407 1.00 0.00 C ATOM 587 C THR A 39 2.904 4.523 4.383 1.00 0.00 C ATOM 588 O THR A 39 3.628 3.558 4.145 1.00 0.00 O ATOM 589 CB THR A 39 3.761 6.855 3.779 1.00 0.00 C ATOM 590 OG1 THR A 39 3.896 7.596 2.569 1.00 0.00 O ATOM 591 CG2 THR A 39 5.184 6.387 4.089 1.00 0.00 C ATOM 0 H THR A 39 1.371 7.181 3.656 1.00 0.00 H new ATOM 0 HA THR A 39 3.151 5.302 2.444 1.00 0.00 H new ATOM 0 HB THR A 39 3.356 7.381 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.483 8.366 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.802 7.247 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.163 5.691 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.602 5.889 3.214 1.00 0.00 H new ATOM 599 N VAL A 40 2.143 4.642 5.461 1.00 0.00 N ATOM 600 CA VAL A 40 2.112 3.601 6.474 1.00 0.00 C ATOM 601 C VAL A 40 1.232 2.447 5.986 1.00 0.00 C ATOM 602 O VAL A 40 1.572 1.281 6.175 1.00 0.00 O ATOM 603 CB VAL A 40 1.647 4.184 7.810 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.484 3.085 8.861 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.606 5.272 8.297 1.00 0.00 C ATOM 0 H VAL A 40 1.543 5.444 5.655 1.00 0.00 H new ATOM 0 HA VAL A 40 3.112 3.200 6.641 1.00 0.00 H new ATOM 0 HB VAL A 40 0.671 4.644 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.153 3.527 9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.744 2.362 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.439 2.582 9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.252 5.670 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.601 4.847 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.649 6.075 7.561 1.00 0.00 H new ATOM 615 N GLU A 41 0.119 2.814 5.369 1.00 0.00 N ATOM 616 CA GLU A 41 -0.812 1.825 4.853 1.00 0.00 C ATOM 617 C GLU A 41 -0.140 0.979 3.770 1.00 0.00 C ATOM 618 O GLU A 41 -0.569 -0.141 3.497 1.00 0.00 O ATOM 619 CB GLU A 41 -2.081 2.492 4.320 1.00 0.00 C ATOM 620 CG GLU A 41 -3.031 2.856 5.463 1.00 0.00 C ATOM 621 CD GLU A 41 -4.309 2.016 5.403 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.413 2.573 5.316 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.125 0.740 5.449 1.00 0.00 O ATOM 0 H GLU A 41 -0.159 3.783 5.215 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.104 1.167 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.817 3.390 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.584 1.821 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.532 2.698 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.284 3.915 5.407 1.00 0.00 H new ATOM 631 N LEU A 42 0.902 1.547 3.181 1.00 0.00 N ATOM 632 CA LEU A 42 1.636 0.859 2.133 1.00 0.00 C ATOM 633 C LEU A 42 2.557 -0.187 2.765 1.00 0.00 C ATOM 634 O LEU A 42 2.902 -1.181 2.128 1.00 0.00 O ATOM 635 CB LEU A 42 2.368 1.865 1.243 1.00 0.00 C ATOM 636 CG LEU A 42 2.340 1.576 -0.260 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.670 2.719 -1.025 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.745 1.279 -0.787 1.00 0.00 C ATOM 0 H LEU A 42 1.255 2.476 3.410 1.00 0.00 H new ATOM 0 HA LEU A 42 0.951 0.325 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.935 2.851 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.408 1.914 1.564 1.00 0.00 H new ATOM 0 HG LEU A 42 1.739 0.682 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.663 2.489 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.645 2.841 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.223 3.643 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.697 1.077 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.390 2.139 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.151 0.409 -0.271 1.00 0.00 H new ATOM 650 N VAL A 43 2.930 0.073 4.009 1.00 0.00 N ATOM 651 CA VAL A 43 3.804 -0.833 4.734 1.00 0.00 C ATOM 652 C VAL A 43 2.973 -1.974 5.324 1.00 0.00 C ATOM 653 O VAL A 43 3.492 -3.061 5.573 1.00 0.00 O ATOM 654 CB VAL A 43 4.597 -0.062 5.791 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.565 -0.987 6.532 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.339 1.121 5.165 1.00 0.00 C ATOM 0 H VAL A 43 2.643 0.899 4.534 1.00 0.00 H new ATOM 0 HA VAL A 43 4.535 -1.279 4.060 1.00 0.00 H new ATOM 0 HB VAL A 43 3.889 0.334 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.116 -0.414 7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.004 -1.780 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.265 -1.426 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.895 1.652 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.031 0.756 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.620 1.799 4.704 1.00 0.00 H new ATOM 666 N MET A 44 1.696 -1.687 5.531 1.00 0.00 N ATOM 667 CA MET A 44 0.787 -2.675 6.088 1.00 0.00 C ATOM 668 C MET A 44 -0.007 -3.373 4.982 1.00 0.00 C ATOM 669 O MET A 44 -0.221 -4.583 5.036 1.00 0.00 O ATOM 670 CB MET A 44 -0.179 -1.992 7.058 1.00 0.00 C ATOM 671 CG MET A 44 0.562 -1.460 8.286 1.00 0.00 C ATOM 672 SD MET A 44 0.000 -2.307 9.753 1.00 0.00 S ATOM 673 CE MET A 44 0.414 -1.091 10.992 1.00 0.00 C ATOM 0 H MET A 44 1.269 -0.784 5.323 1.00 0.00 H new ATOM 0 HA MET A 44 1.375 -3.425 6.617 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.688 -1.172 6.552 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.947 -2.700 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.636 -1.602 8.163 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.392 -0.388 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.128 -1.462 11.976 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.488 -0.903 10.973 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.120 -0.164 10.784 1.00 0.00 H new ATOM 683 N ALA A 45 -0.424 -2.580 4.006 1.00 0.00 N ATOM 684 CA ALA A 45 -1.190 -3.107 2.890 1.00 0.00 C ATOM 685 C ALA A 45 -0.348 -4.142 2.142 1.00 0.00 C ATOM 686 O ALA A 45 -0.827 -5.234 1.837 1.00 0.00 O ATOM 687 CB ALA A 45 -1.635 -1.955 1.987 1.00 0.00 C ATOM 0 H ALA A 45 -0.246 -1.577 3.965 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.090 -3.609 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.210 -2.350 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.255 -1.263 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.758 -1.429 1.609 1.00 0.00 H new ATOM 693 N LEU A 46 0.892 -3.763 1.868 1.00 0.00 N ATOM 694 CA LEU A 46 1.805 -4.646 1.162 1.00 0.00 C ATOM 695 C LEU A 46 2.194 -5.808 2.077 1.00 0.00 C ATOM 696 O LEU A 46 2.582 -6.874 1.601 1.00 0.00 O ATOM 697 CB LEU A 46 3.002 -3.859 0.624 1.00 0.00 C ATOM 698 CG LEU A 46 2.739 -3.000 -0.614 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.051 -2.525 -1.242 1.00 0.00 C ATOM 700 CD2 LEU A 46 1.859 -3.744 -1.621 1.00 0.00 C ATOM 0 H LEU A 46 1.286 -2.857 2.122 1.00 0.00 H new ATOM 0 HA LEU A 46 1.318 -5.078 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.373 -3.212 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.799 -4.564 0.390 1.00 0.00 H new ATOM 0 HG LEU A 46 2.191 -2.111 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.835 -1.917 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.607 -1.931 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.647 -3.389 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.687 -3.111 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.358 -4.662 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.904 -3.990 -1.157 1.00 0.00 H new ATOM 712 N GLU A 47 2.078 -5.563 3.374 1.00 0.00 N ATOM 713 CA GLU A 47 2.413 -6.577 4.359 1.00 0.00 C ATOM 714 C GLU A 47 1.274 -7.591 4.486 1.00 0.00 C ATOM 715 O GLU A 47 1.514 -8.797 4.529 1.00 0.00 O ATOM 716 CB GLU A 47 2.732 -5.940 5.713 1.00 0.00 C ATOM 717 CG GLU A 47 4.240 -5.935 5.974 1.00 0.00 C ATOM 718 CD GLU A 47 4.578 -6.707 7.251 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.258 -6.248 8.357 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.196 -7.824 7.064 1.00 0.00 O ATOM 0 H GLU A 47 1.757 -4.677 3.765 1.00 0.00 H new ATOM 0 HA GLU A 47 3.306 -7.103 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.352 -4.919 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.224 -6.489 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.761 -6.381 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.594 -4.908 6.061 1.00 0.00 H new ATOM 728 N GLU A 48 0.059 -7.066 4.541 1.00 0.00 N ATOM 729 CA GLU A 48 -1.117 -7.910 4.662 1.00 0.00 C ATOM 730 C GLU A 48 -1.433 -8.574 3.320 1.00 0.00 C ATOM 731 O GLU A 48 -2.224 -9.515 3.260 1.00 0.00 O ATOM 732 CB GLU A 48 -2.316 -7.110 5.174 1.00 0.00 C ATOM 733 CG GLU A 48 -3.130 -7.926 6.180 1.00 0.00 C ATOM 734 CD GLU A 48 -4.431 -8.432 5.551 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.497 -8.617 4.327 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.395 -8.635 6.383 1.00 0.00 O ATOM 0 H GLU A 48 -0.136 -6.066 4.504 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.906 -8.692 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.970 -6.189 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.950 -6.822 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.539 -8.772 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.358 -7.313 7.052 1.00 0.00 H new ATOM 744 N GLU A 49 -0.799 -8.059 2.277 1.00 0.00 N ATOM 745 CA GLU A 49 -1.003 -8.590 0.940 1.00 0.00 C ATOM 746 C GLU A 49 -0.427 -10.003 0.837 1.00 0.00 C ATOM 747 O GLU A 49 -1.173 -10.979 0.768 1.00 0.00 O ATOM 748 CB GLU A 49 -0.389 -7.668 -0.116 1.00 0.00 C ATOM 749 CG GLU A 49 -1.280 -7.586 -1.357 1.00 0.00 C ATOM 750 CD GLU A 49 -2.514 -6.722 -1.090 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.461 -5.496 -1.263 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.556 -7.369 -0.690 1.00 0.00 O ATOM 0 H GLU A 49 -0.144 -7.279 2.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.075 -8.641 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.250 -6.671 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.598 -8.036 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.713 -7.169 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.590 -8.588 -1.653 1.00 0.00 H new ATOM 760 N PHE A 50 0.897 -10.069 0.828 1.00 0.00 N ATOM 761 CA PHE A 50 1.582 -11.347 0.734 1.00 0.00 C ATOM 762 C PHE A 50 2.900 -11.320 1.512 1.00 0.00 C ATOM 763 O PHE A 50 3.862 -11.986 1.132 1.00 0.00 O ATOM 764 CB PHE A 50 1.882 -11.586 -0.747 1.00 0.00 C ATOM 765 CG PHE A 50 1.993 -10.303 -1.574 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.167 -9.619 -1.615 1.00 0.00 C ATOM 767 CD2 PHE A 50 0.916 -9.848 -2.269 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.270 -8.429 -2.382 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.019 -8.658 -3.037 1.00 0.00 C ATOM 770 CZ PHE A 50 2.193 -7.974 -3.078 1.00 0.00 C ATOM 0 H PHE A 50 1.513 -9.258 0.884 1.00 0.00 H new ATOM 0 HA PHE A 50 0.958 -12.136 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.815 -12.143 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.096 -12.212 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.022 -9.981 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.017 -10.391 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.203 -7.885 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.164 -8.296 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.271 -7.069 -3.663 1.00 0.00 H new ATOM 780 N ASP A 51 2.900 -10.545 2.586 1.00 0.00 N ATOM 781 CA ASP A 51 4.084 -10.424 3.420 1.00 0.00 C ATOM 782 C ASP A 51 5.236 -9.861 2.585 1.00 0.00 C ATOM 783 O ASP A 51 6.057 -10.615 2.066 1.00 0.00 O ATOM 784 CB ASP A 51 4.517 -11.787 3.964 1.00 0.00 C ATOM 785 CG ASP A 51 5.991 -11.886 4.361 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.735 -12.735 3.847 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.375 -11.033 5.249 1.00 0.00 O ATOM 0 H ASP A 51 2.100 -9.995 2.898 1.00 0.00 H new ATOM 0 HA ASP A 51 3.843 -9.763 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.905 -12.025 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.308 -12.546 3.210 1.00 0.00 H new ATOM 793 N THR A 52 5.259 -8.540 2.481 1.00 0.00 N ATOM 794 CA THR A 52 6.296 -7.867 1.718 1.00 0.00 C ATOM 795 C THR A 52 6.484 -6.435 2.221 1.00 0.00 C ATOM 796 O THR A 52 6.486 -5.491 1.432 1.00 0.00 O ATOM 797 CB THR A 52 5.920 -7.946 0.237 1.00 0.00 C ATOM 798 OG1 THR A 52 6.998 -7.297 -0.430 1.00 0.00 O ATOM 799 CG2 THR A 52 4.700 -7.088 -0.104 1.00 0.00 C ATOM 0 H THR A 52 4.576 -7.918 2.913 1.00 0.00 H new ATOM 0 HA THR A 52 7.262 -8.354 1.850 1.00 0.00 H new ATOM 0 HB THR A 52 5.721 -8.983 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.989 -6.341 -0.214 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.476 -7.180 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.843 -7.427 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.911 -6.045 0.133 1.00 0.00 H new ATOM 807 N GLU A 53 6.637 -6.317 3.532 1.00 0.00 N ATOM 808 CA GLU A 53 6.826 -5.016 4.150 1.00 0.00 C ATOM 809 C GLU A 53 7.674 -4.118 3.247 1.00 0.00 C ATOM 810 O GLU A 53 8.765 -4.503 2.830 1.00 0.00 O ATOM 811 CB GLU A 53 7.458 -5.154 5.536 1.00 0.00 C ATOM 812 CG GLU A 53 8.802 -5.881 5.457 1.00 0.00 C ATOM 813 CD GLU A 53 9.292 -6.281 6.850 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.151 -5.502 7.804 1.00 0.00 O ATOM 815 OE2 GLU A 53 9.836 -7.448 6.922 1.00 0.00 O ATOM 0 H GLU A 53 6.634 -7.102 4.183 1.00 0.00 H new ATOM 0 HA GLU A 53 5.849 -4.550 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.600 -4.166 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.783 -5.701 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.703 -6.770 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.540 -5.237 4.979 1.00 0.00 H new ATOM 823 N ILE A 54 7.140 -2.936 2.972 1.00 0.00 N ATOM 824 CA ILE A 54 7.835 -1.980 2.127 1.00 0.00 C ATOM 825 C ILE A 54 8.529 -0.938 3.006 1.00 0.00 C ATOM 826 O ILE A 54 7.974 -0.501 4.013 1.00 0.00 O ATOM 827 CB ILE A 54 6.874 -1.376 1.100 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.640 -0.773 -0.079 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.938 -0.359 1.757 1.00 0.00 C ATOM 830 CD1 ILE A 54 6.694 -0.437 -1.233 1.00 0.00 C ATOM 0 H ILE A 54 6.235 -2.619 3.319 1.00 0.00 H new ATOM 0 HA ILE A 54 8.613 -2.478 1.548 1.00 0.00 H new ATOM 0 HB ILE A 54 6.251 -2.177 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.160 0.129 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.401 -1.475 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.266 0.055 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.354 -0.851 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.527 0.445 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.264 -0.010 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.194 -1.345 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.949 0.284 -0.895 1.00 0.00 H new ATOM 842 N PRO A 55 9.766 -0.561 2.583 1.00 0.00 N ATOM 843 CA PRO A 55 10.542 0.421 3.321 1.00 0.00 C ATOM 844 C PRO A 55 9.996 1.832 3.095 1.00 0.00 C ATOM 845 O PRO A 55 8.927 2.003 2.511 1.00 0.00 O ATOM 846 CB PRO A 55 11.968 0.249 2.824 1.00 0.00 C ATOM 847 CG PRO A 55 11.862 -0.494 1.502 1.00 0.00 C ATOM 848 CD PRO A 55 10.455 -1.058 1.396 1.00 0.00 C ATOM 0 HA PRO A 55 10.490 0.275 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.454 1.215 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.566 -0.313 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.068 0.178 0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.599 -1.296 1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.962 -0.724 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.466 -2.148 1.372 1.00 0.00 H new ATOM 856 N ASP A 56 10.755 2.808 3.571 1.00 0.00 N ATOM 857 CA ASP A 56 10.361 4.200 3.429 1.00 0.00 C ATOM 858 C ASP A 56 10.995 4.778 2.162 1.00 0.00 C ATOM 859 O ASP A 56 10.528 5.787 1.635 1.00 0.00 O ATOM 860 CB ASP A 56 10.841 5.033 4.619 1.00 0.00 C ATOM 861 CG ASP A 56 9.763 5.891 5.285 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.496 5.760 6.488 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.179 6.734 4.503 1.00 0.00 O ATOM 0 H ASP A 56 11.641 2.663 4.055 1.00 0.00 H new ATOM 0 HA ASP A 56 9.273 4.238 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.263 4.361 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.648 5.685 4.285 1.00 0.00 H new ATOM 869 N GLU A 57 12.048 4.113 1.709 1.00 0.00 N ATOM 870 CA GLU A 57 12.750 4.548 0.513 1.00 0.00 C ATOM 871 C GLU A 57 11.912 4.251 -0.732 1.00 0.00 C ATOM 872 O GLU A 57 11.850 5.066 -1.652 1.00 0.00 O ATOM 873 CB GLU A 57 14.127 3.890 0.417 1.00 0.00 C ATOM 874 CG GLU A 57 15.242 4.918 0.618 1.00 0.00 C ATOM 875 CD GLU A 57 16.515 4.252 1.145 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.344 3.784 0.350 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.627 4.230 2.430 1.00 0.00 O ATOM 0 H GLU A 57 12.432 3.276 2.149 1.00 0.00 H new ATOM 0 HA GLU A 57 12.902 5.626 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.212 3.105 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.239 3.413 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.454 5.419 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.912 5.685 1.319 1.00 0.00 H new ATOM 885 N GLU A 58 11.287 3.083 -0.721 1.00 0.00 N ATOM 886 CA GLU A 58 10.455 2.669 -1.838 1.00 0.00 C ATOM 887 C GLU A 58 9.291 3.645 -2.024 1.00 0.00 C ATOM 888 O GLU A 58 9.026 4.095 -3.137 1.00 0.00 O ATOM 889 CB GLU A 58 9.946 1.240 -1.643 1.00 0.00 C ATOM 890 CG GLU A 58 10.676 0.266 -2.570 1.00 0.00 C ATOM 891 CD GLU A 58 10.363 -1.185 -2.198 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.234 -1.892 -1.670 1.00 0.00 O ATOM 893 OE2 GLU A 58 9.164 -1.572 -2.476 1.00 0.00 O ATOM 0 H GLU A 58 11.340 2.410 0.044 1.00 0.00 H new ATOM 0 HA GLU A 58 11.063 2.683 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.090 0.937 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.875 1.202 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.382 0.452 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.751 0.437 -2.509 1.00 0.00 H new ATOM 901 N ALA A 59 8.629 3.943 -0.916 1.00 0.00 N ATOM 902 CA ALA A 59 7.500 4.857 -0.943 1.00 0.00 C ATOM 903 C ALA A 59 7.811 6.018 -1.889 1.00 0.00 C ATOM 904 O ALA A 59 6.945 6.458 -2.644 1.00 0.00 O ATOM 905 CB ALA A 59 7.192 5.331 0.480 1.00 0.00 C ATOM 0 H ALA A 59 8.853 3.568 0.006 1.00 0.00 H new ATOM 0 HA ALA A 59 6.609 4.355 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.345 6.017 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.948 4.472 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.063 5.842 0.890 1.00 0.00 H new ATOM 911 N GLU A 60 9.050 6.482 -1.817 1.00 0.00 N ATOM 912 CA GLU A 60 9.487 7.584 -2.658 1.00 0.00 C ATOM 913 C GLU A 60 9.200 7.274 -4.129 1.00 0.00 C ATOM 914 O GLU A 60 8.379 7.940 -4.759 1.00 0.00 O ATOM 915 CB GLU A 60 10.971 7.885 -2.440 1.00 0.00 C ATOM 916 CG GLU A 60 11.179 9.343 -2.025 1.00 0.00 C ATOM 917 CD GLU A 60 12.665 9.652 -1.836 1.00 0.00 C ATOM 918 OE1 GLU A 60 13.467 8.732 -1.619 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.978 10.901 -1.923 1.00 0.00 O ATOM 0 H GLU A 60 9.765 6.115 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 60 8.925 8.475 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.371 7.224 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.526 7.681 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.760 10.004 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.642 9.541 -1.098 1.00 0.00 H new ATOM 927 N LYS A 61 9.893 6.264 -4.634 1.00 0.00 N ATOM 928 CA LYS A 61 9.724 5.859 -6.019 1.00 0.00 C ATOM 929 C LYS A 61 8.300 5.337 -6.223 1.00 0.00 C ATOM 930 O LYS A 61 7.835 5.217 -7.355 1.00 0.00 O ATOM 931 CB LYS A 61 10.809 4.858 -6.421 1.00 0.00 C ATOM 932 CG LYS A 61 10.504 3.466 -5.865 1.00 0.00 C ATOM 933 CD LYS A 61 10.510 2.417 -6.979 1.00 0.00 C ATOM 934 CE LYS A 61 9.120 2.268 -7.600 1.00 0.00 C ATOM 935 NZ LYS A 61 9.199 2.361 -9.075 1.00 0.00 N ATOM 0 H LYS A 61 10.573 5.714 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 61 9.849 6.714 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.881 4.812 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.777 5.197 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.243 3.203 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.532 3.472 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.227 2.703 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.838 1.458 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.688 1.310 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.458 3.044 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.569 1.652 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.906 3.312 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.177 2.185 -9.382 1.00 0.00 H new ATOM 948 N ILE A 62 7.648 5.041 -5.108 1.00 0.00 N ATOM 949 CA ILE A 62 6.286 4.535 -5.150 1.00 0.00 C ATOM 950 C ILE A 62 5.308 5.700 -4.987 1.00 0.00 C ATOM 951 O ILE A 62 4.105 5.490 -4.846 1.00 0.00 O ATOM 952 CB ILE A 62 6.096 3.423 -4.116 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.828 2.080 -4.798 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.997 3.787 -3.116 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.182 1.091 -3.826 1.00 0.00 C ATOM 0 H ILE A 62 8.037 5.142 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 62 6.079 4.078 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 62 7.023 3.318 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.175 2.229 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.763 1.666 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.882 2.980 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.268 4.706 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.057 3.935 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.002 0.145 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.848 0.926 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.235 1.497 -3.470 1.00 0.00 H new ATOM 967 N THR A 63 5.862 6.903 -5.012 1.00 0.00 N ATOM 968 CA THR A 63 5.053 8.102 -4.869 1.00 0.00 C ATOM 969 C THR A 63 3.783 7.993 -5.715 1.00 0.00 C ATOM 970 O THR A 63 2.768 8.613 -5.400 1.00 0.00 O ATOM 971 CB THR A 63 5.924 9.306 -5.234 1.00 0.00 C ATOM 972 OG1 THR A 63 4.996 10.380 -5.364 1.00 0.00 O ATOM 973 CG2 THR A 63 6.544 9.179 -6.627 1.00 0.00 C ATOM 0 H THR A 63 6.861 7.074 -5.129 1.00 0.00 H new ATOM 0 HA THR A 63 4.712 8.228 -3.842 1.00 0.00 H new ATOM 0 HB THR A 63 6.715 9.419 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.477 11.201 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.152 10.059 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.170 8.288 -6.667 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.752 9.100 -7.372 1.00 0.00 H new ATOM 981 N THR A 64 3.880 7.200 -6.771 1.00 0.00 N ATOM 982 CA THR A 64 2.751 7.001 -7.664 1.00 0.00 C ATOM 983 C THR A 64 1.905 5.815 -7.198 1.00 0.00 C ATOM 984 O THR A 64 1.908 5.471 -6.017 1.00 0.00 O ATOM 985 CB THR A 64 3.295 6.838 -9.085 1.00 0.00 C ATOM 986 OG1 THR A 64 3.943 5.569 -9.065 1.00 0.00 O ATOM 987 CG2 THR A 64 4.420 7.826 -9.398 1.00 0.00 C ATOM 0 H THR A 64 4.723 6.687 -7.029 1.00 0.00 H new ATOM 0 HA THR A 64 2.082 7.861 -7.653 1.00 0.00 H new ATOM 0 HB THR A 64 2.485 6.972 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.829 5.130 -9.933 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.770 7.668 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.048 8.845 -9.296 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.245 7.670 -8.703 1.00 0.00 H new ATOM 995 N VAL A 65 1.200 5.221 -8.150 1.00 0.00 N ATOM 996 CA VAL A 65 0.350 4.081 -7.852 1.00 0.00 C ATOM 997 C VAL A 65 0.878 2.850 -8.591 1.00 0.00 C ATOM 998 O VAL A 65 1.121 1.811 -7.979 1.00 0.00 O ATOM 999 CB VAL A 65 -1.104 4.407 -8.197 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.943 3.132 -8.299 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.705 5.378 -7.178 1.00 0.00 C ATOM 0 H VAL A 65 1.200 5.508 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 65 0.374 3.856 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.115 4.894 -9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.972 3.393 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.535 2.489 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.920 2.604 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.739 5.593 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.674 4.929 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.131 6.304 -7.175 1.00 0.00 H new ATOM 1011 N GLN A 66 1.041 3.007 -9.896 1.00 0.00 N ATOM 1012 CA GLN A 66 1.536 1.922 -10.725 1.00 0.00 C ATOM 1013 C GLN A 66 2.937 1.506 -10.274 1.00 0.00 C ATOM 1014 O GLN A 66 3.435 0.454 -10.674 1.00 0.00 O ATOM 1015 CB GLN A 66 1.530 2.314 -12.204 1.00 0.00 C ATOM 1016 CG GLN A 66 1.830 1.106 -13.093 1.00 0.00 C ATOM 1017 CD GLN A 66 0.562 0.610 -13.791 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.276 1.379 -14.233 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.467 -0.714 -13.864 1.00 0.00 N ATOM 0 H GLN A 66 0.839 3.870 -10.400 1.00 0.00 H new ATOM 0 HA GLN A 66 0.869 1.068 -10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.559 2.733 -12.469 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.272 3.093 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.578 1.376 -13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.255 0.303 -12.491 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.205 -1.301 -13.474 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.343 -1.143 -14.310 1.00 0.00 H new ATOM 1028 N ALA A 67 3.534 2.352 -9.447 1.00 0.00 N ATOM 1029 CA ALA A 67 4.868 2.085 -8.938 1.00 0.00 C ATOM 1030 C ALA A 67 4.797 0.966 -7.897 1.00 0.00 C ATOM 1031 O ALA A 67 5.779 0.260 -7.672 1.00 0.00 O ATOM 1032 CB ALA A 67 5.464 3.374 -8.368 1.00 0.00 C ATOM 0 H ALA A 67 3.118 3.223 -9.117 1.00 0.00 H new ATOM 0 HA ALA A 67 5.525 1.748 -9.740 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.465 3.174 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.519 4.128 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.833 3.740 -7.558 1.00 0.00 H new ATOM 1038 N ALA A 68 3.627 0.839 -7.290 1.00 0.00 N ATOM 1039 CA ALA A 68 3.415 -0.183 -6.279 1.00 0.00 C ATOM 1040 C ALA A 68 3.005 -1.491 -6.959 1.00 0.00 C ATOM 1041 O ALA A 68 2.651 -2.459 -6.288 1.00 0.00 O ATOM 1042 CB ALA A 68 2.370 0.303 -5.272 1.00 0.00 C ATOM 0 H ALA A 68 2.815 1.427 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 68 4.336 -0.373 -5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.211 -0.464 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.722 1.218 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.431 0.502 -5.789 1.00 0.00 H new ATOM 1048 N ILE A 69 3.066 -1.477 -8.282 1.00 0.00 N ATOM 1049 CA ILE A 69 2.706 -2.649 -9.061 1.00 0.00 C ATOM 1050 C ILE A 69 3.957 -3.210 -9.740 1.00 0.00 C ATOM 1051 O ILE A 69 4.125 -4.425 -9.835 1.00 0.00 O ATOM 1052 CB ILE A 69 1.573 -2.319 -10.034 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.268 -2.042 -9.284 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.409 -3.423 -11.080 1.00 0.00 C ATOM 1055 CD1 ILE A 69 0.289 -0.653 -8.643 1.00 0.00 C ATOM 0 H ILE A 69 3.360 -0.672 -8.835 1.00 0.00 H new ATOM 0 HA ILE A 69 2.318 -3.433 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 69 1.837 -1.406 -10.568 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.574 -2.116 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.119 -2.799 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.597 -3.163 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.335 -3.529 -11.645 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.178 -4.365 -10.582 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.650 -0.481 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.118 -0.590 -7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.414 0.103 -9.418 1.00 0.00 H new ATOM 1067 N ASP A 70 4.802 -2.297 -10.196 1.00 0.00 N ATOM 1068 CA ASP A 70 6.033 -2.685 -10.864 1.00 0.00 C ATOM 1069 C ASP A 70 6.902 -3.490 -9.896 1.00 0.00 C ATOM 1070 O ASP A 70 7.613 -4.405 -10.309 1.00 0.00 O ATOM 1071 CB ASP A 70 6.831 -1.456 -11.305 1.00 0.00 C ATOM 1072 CG ASP A 70 7.819 -0.920 -10.267 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.579 0.118 -9.633 1.00 0.00 O ATOM 1074 OD2 ASP A 70 8.890 -1.625 -10.119 1.00 0.00 O ATOM 0 H ASP A 70 4.659 -1.290 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 70 5.769 -3.277 -11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.380 -1.705 -12.213 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.132 -0.661 -11.563 1.00 0.00 H new ATOM 1080 N TYR A 71 6.816 -3.121 -8.626 1.00 0.00 N ATOM 1081 CA TYR A 71 7.585 -3.798 -7.596 1.00 0.00 C ATOM 1082 C TYR A 71 6.911 -5.106 -7.178 1.00 0.00 C ATOM 1083 O TYR A 71 7.586 -6.094 -6.897 1.00 0.00 O ATOM 1084 CB TYR A 71 7.614 -2.847 -6.398 1.00 0.00 C ATOM 1085 CG TYR A 71 8.908 -2.909 -5.585 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.149 -3.983 -4.752 1.00 0.00 C ATOM 1087 CD2 TYR A 71 9.835 -1.891 -5.684 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.367 -4.041 -3.986 1.00 0.00 C ATOM 1089 CE2 TYR A 71 11.053 -1.950 -4.919 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.259 -3.022 -4.108 1.00 0.00 C ATOM 1091 OH TYR A 71 12.410 -3.077 -3.385 1.00 0.00 O ATOM 0 H TYR A 71 6.225 -2.362 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 71 8.583 -4.042 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.469 -1.827 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.774 -3.079 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.424 -4.780 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.647 -1.050 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.567 -4.875 -3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.787 -1.161 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 71 12.249 -2.720 -2.486 1.00 0.00 H new ATOM 1101 N ILE A 72 5.586 -5.069 -7.151 1.00 0.00 N ATOM 1102 CA ILE A 72 4.813 -6.239 -6.772 1.00 0.00 C ATOM 1103 C ILE A 72 4.804 -7.237 -7.932 1.00 0.00 C ATOM 1104 O ILE A 72 4.794 -8.447 -7.714 1.00 0.00 O ATOM 1105 CB ILE A 72 3.416 -5.829 -6.302 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.491 -4.986 -5.028 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.515 -7.053 -6.127 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.393 -5.648 -3.985 1.00 0.00 C ATOM 0 H ILE A 72 5.029 -4.247 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 72 5.275 -6.742 -5.922 1.00 0.00 H new ATOM 0 HB ILE A 72 2.966 -5.205 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.873 -3.993 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.491 -4.852 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.528 -6.733 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.424 -7.577 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.951 -7.722 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.429 -5.028 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.995 -6.630 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.399 -5.758 -4.391 1.00 0.00 H new ATOM 1120 N ASN A 73 4.807 -6.691 -9.139 1.00 0.00 N ATOM 1121 CA ASN A 73 4.799 -7.518 -10.334 1.00 0.00 C ATOM 1122 C ASN A 73 5.857 -8.615 -10.197 1.00 0.00 C ATOM 1123 O ASN A 73 5.698 -9.707 -10.740 1.00 0.00 O ATOM 1124 CB ASN A 73 5.133 -6.693 -11.578 1.00 0.00 C ATOM 1125 CG ASN A 73 4.159 -6.999 -12.717 1.00 0.00 C ATOM 1126 OD1 ASN A 73 4.466 -7.718 -13.654 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.971 -6.416 -12.585 1.00 0.00 N ATOM 0 H ASN A 73 4.815 -5.686 -9.315 1.00 0.00 H new ATOM 0 HA ASN A 73 3.802 -7.945 -10.441 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.093 -5.631 -11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.152 -6.908 -11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.251 -6.559 -13.293 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.780 -5.826 -11.775 1.00 0.00 H new ATOM 1134 N GLY A 74 6.913 -8.286 -9.467 1.00 0.00 N ATOM 1135 CA GLY A 74 7.997 -9.230 -9.252 1.00 0.00 C ATOM 1136 C GLY A 74 7.455 -10.614 -8.889 1.00 0.00 C ATOM 1137 O GLY A 74 8.130 -11.622 -9.094 1.00 0.00 O ATOM 0 H GLY A 74 7.041 -7.380 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.608 -9.299 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.646 -8.869 -8.454 1.00 0.00 H new ATOM 1141 N HIS A 75 6.242 -10.619 -8.358 1.00 0.00 N ATOM 1142 CA HIS A 75 5.602 -11.862 -7.965 1.00 0.00 C ATOM 1143 C HIS A 75 5.562 -12.818 -9.159 1.00 0.00 C ATOM 1144 O HIS A 75 6.196 -13.872 -9.137 1.00 0.00 O ATOM 1145 CB HIS A 75 4.217 -11.597 -7.371 1.00 0.00 C ATOM 1146 CG HIS A 75 3.133 -12.498 -7.914 1.00 0.00 C ATOM 1147 ND1 HIS A 75 1.922 -12.202 -8.468 1.00 0.00 N flip ATOM 1148 CD2 HIS A 75 3.238 -13.878 -7.918 1.00 0.00 C flip ATOM 1149 CE1 HIS A 75 1.321 -13.339 -8.795 1.00 0.00 C flip ATOM 1150 NE2 HIS A 75 2.135 -14.379 -8.454 1.00 0.00 N flip ATOM 0 H HIS A 75 5.685 -9.781 -8.191 1.00 0.00 H new ATOM 0 HA HIS A 75 6.184 -12.342 -7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.268 -11.718 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.943 -10.560 -7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.076 -14.449 -7.547 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.348 -13.426 -9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.930 -15.369 -8.588 1.00 0.00 H new ATOM 1158 N GLN A 76 4.810 -12.416 -10.173 1.00 0.00 N ATOM 1159 CA GLN A 76 4.678 -13.224 -11.374 1.00 0.00 C ATOM 1160 C GLN A 76 6.013 -13.287 -12.119 1.00 0.00 C ATOM 1161 O GLN A 76 6.751 -12.304 -12.163 1.00 0.00 O ATOM 1162 CB GLN A 76 3.570 -12.683 -12.280 1.00 0.00 C ATOM 1163 CG GLN A 76 4.058 -11.476 -13.082 1.00 0.00 C ATOM 1164 CD GLN A 76 2.991 -10.379 -13.126 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.969 -9.603 -12.047 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.239 -10.247 -14.077 1.00 0.00 N flip ATOM 0 H GLN A 76 4.286 -11.541 -10.188 1.00 0.00 H new ATOM 0 HA GLN A 76 4.399 -14.236 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.238 -13.466 -12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.708 -12.399 -11.676 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.971 -11.083 -12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.308 -11.786 -14.097 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.310 -10.879 -14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.539 -9.505 -14.075 1.00 0.00 H new ATOM 1175 N ALA A 77 6.282 -14.454 -12.686 1.00 0.00 N ATOM 1176 CA ALA A 77 7.515 -14.659 -13.428 1.00 0.00 C ATOM 1177 C ALA A 77 7.248 -14.454 -14.920 1.00 0.00 C ATOM 1178 O ALA A 77 8.183 -14.342 -15.712 1.00 0.00 O ATOM 1179 CB ALA A 77 8.071 -16.051 -13.120 1.00 0.00 C ATOM 0 H ALA A 77 5.668 -15.267 -12.647 1.00 0.00 H new ATOM 0 HA ALA A 77 8.270 -13.933 -13.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.996 -16.205 -13.676 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.272 -16.134 -12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.342 -16.807 -13.412 1.00 0.00 H new TER 1185 ALA A 77