USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 3 GLN : amide:sc= -0.255 K(o=-0.31,f=-3.2) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -129:sc= 0.419 (180deg=0) USER MOD Set 1.3: A 66 GLN : amide:sc= -0.473 K(o=-0.31,f=-1.5) USER MOD Set 2.1: A 15 GLN : amide:sc= 1.34 K(o=1.7,f=0.75) USER MOD Set 2.2: A 57 THR OG1 : rot -93:sc= 0.321 USER MOD Set 3.1: A 51 MET CE :methyl -176:sc= -2.43 (180deg=-2.67) USER MOD Set 3.2: A 52 SER OG : rot -170:sc= -2.32! USER MOD Set 4.1: A 43 ASN : amide:sc= -2.75! C(o=-1.5!,f=-5.1!) USER MOD Set 4.2: A 46 SER OG : rot 86:sc= 1.29 USER MOD Set 5.1: A 11 LYS NZ :NH3+ 163:sc= 0.969 (180deg=0.444) USER MOD Set 5.2: A 12 THR OG1 : rot 60:sc= -0.338 USER MOD Set 6.1: A 4 GLN : amide:sc= -2.57! C(o=-4.9!,f=-13!) USER MOD Set 6.2: A 71 GLN : amide:sc= -2.29 K(o=-4.9,f=-6.3!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= -0.268 (180deg=-0.278) USER MOD Single : A 24 GLN : amide:sc= -6.83! C(o=-6.8!,f=-13!) USER MOD Single : A 27 ASN : amide:sc= -7.68! C(o=-7.7!,f=-10!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 117:sc= 1.53 USER MOD Single : A 37 LYS NZ :NH3+ -132:sc= -2.57! (180deg=-5.15!) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= -0.334 (180deg=-1.29!) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0.473 (180deg=0.284) USER MOD Single : A 48 MET CE :methyl -160:sc= -0.241 (180deg=-0.933) USER MOD Single : A 56 SER OG : rot 89:sc= -1.87! USER MOD Single : A 59 THR OG1 : rot 69:sc= -1.87! USER MOD Single : A 62 THR OG1 : rot -139:sc= -3.96! USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.019) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.374 USER MOD Single : A 82 GLN : amide:sc= -5.69! C(o=-5.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -18.423 6.254 -1.436 1.00 0.00 N ATOM 2 CA VAL A 2 -18.876 5.039 -0.758 1.00 0.00 C ATOM 3 C VAL A 2 -17.682 4.164 -0.356 1.00 0.00 C ATOM 4 O VAL A 2 -17.165 3.358 -1.124 1.00 0.00 O ATOM 5 CB VAL A 2 -19.980 4.332 -1.556 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.486 3.672 -2.840 1.00 0.00 C ATOM 7 CG2 VAL A 2 -20.639 3.271 -0.680 1.00 0.00 C ATOM 0 HA VAL A 2 -19.358 5.301 0.184 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.689 5.106 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.323 3.193 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.049 4.428 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.733 2.923 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.423 2.768 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.892 2.541 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.073 3.745 0.200 1.00 0.00 H new ATOM 19 N GLN A 3 -17.210 4.363 0.873 1.00 0.00 N ATOM 20 CA GLN A 3 -16.008 3.701 1.334 1.00 0.00 C ATOM 21 C GLN A 3 -16.279 2.526 2.254 1.00 0.00 C ATOM 22 O GLN A 3 -16.907 2.688 3.297 1.00 0.00 O ATOM 23 CB GLN A 3 -15.157 4.733 2.068 1.00 0.00 C ATOM 24 CG GLN A 3 -13.677 4.425 1.877 1.00 0.00 C ATOM 25 CD GLN A 3 -12.808 5.485 2.523 1.00 0.00 C ATOM 26 OE1 GLN A 3 -12.075 6.178 1.827 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.895 5.636 3.841 1.00 0.00 N ATOM 0 H GLN A 3 -17.646 4.977 1.561 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.496 3.294 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.380 5.732 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.403 4.729 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.447 3.451 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.450 4.364 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.518 5.037 4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.339 6.350 4.310 1.00 0.00 H new ATOM 36 N GLN A 4 -15.757 1.356 1.903 1.00 0.00 N ATOM 37 CA GLN A 4 -15.826 0.229 2.814 1.00 0.00 C ATOM 38 C GLN A 4 -14.402 -0.246 3.061 1.00 0.00 C ATOM 39 O GLN A 4 -13.520 0.002 2.240 1.00 0.00 O ATOM 40 CB GLN A 4 -16.653 -0.919 2.241 1.00 0.00 C ATOM 41 CG GLN A 4 -17.945 -0.463 1.574 1.00 0.00 C ATOM 42 CD GLN A 4 -18.642 -1.642 0.911 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.356 -2.801 1.204 1.00 0.00 O ATOM 44 NE2 GLN A 4 -19.552 -1.358 -0.012 1.00 0.00 N ATOM 0 H GLN A 4 -15.292 1.169 1.014 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.311 0.545 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.050 -1.463 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.894 -1.618 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.605 -0.011 2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.727 0.304 0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.768 -0.386 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.036 -2.112 -0.500 1.00 0.00 H new ATOM 53 N LYS A 5 -14.166 -0.923 4.181 1.00 0.00 N ATOM 54 CA LYS A 5 -12.861 -1.441 4.506 1.00 0.00 C ATOM 55 C LYS A 5 -13.050 -2.709 5.321 1.00 0.00 C ATOM 56 O LYS A 5 -13.734 -2.692 6.342 1.00 0.00 O ATOM 57 CB LYS A 5 -12.042 -0.398 5.268 1.00 0.00 C ATOM 58 CG LYS A 5 -12.734 0.103 6.536 1.00 0.00 C ATOM 59 CD LYS A 5 -13.800 1.139 6.183 1.00 0.00 C ATOM 60 CE LYS A 5 -13.160 2.356 5.519 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.351 3.132 6.474 1.00 0.00 N ATOM 0 H LYS A 5 -14.880 -1.122 4.882 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.306 -1.673 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.076 -0.828 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.844 0.449 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.191 -0.734 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.999 0.542 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.538 0.697 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.331 1.446 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.532 2.030 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.938 2.993 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.001 3.995 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.936 3.391 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.544 2.558 6.792 1.00 0.00 H new ATOM 75 N VAL A 6 -12.470 -3.808 4.855 1.00 0.00 N ATOM 76 CA VAL A 6 -12.517 -5.072 5.562 1.00 0.00 C ATOM 77 C VAL A 6 -11.092 -5.348 6.017 1.00 0.00 C ATOM 78 O VAL A 6 -10.174 -5.330 5.202 1.00 0.00 O ATOM 79 CB VAL A 6 -13.097 -6.165 4.661 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.569 -5.859 4.404 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.395 -6.228 3.307 1.00 0.00 C ATOM 0 H VAL A 6 -11.955 -3.843 3.975 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.176 -5.046 6.430 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.959 -7.119 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.995 -6.631 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.107 -5.837 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.659 -4.890 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.841 -7.018 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.506 -5.272 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.336 -6.439 3.456 1.00 0.00 H new ATOM 91 N GLU A 7 -10.863 -5.511 7.317 1.00 0.00 N ATOM 92 CA GLU A 7 -9.492 -5.646 7.759 1.00 0.00 C ATOM 93 C GLU A 7 -8.931 -7.050 7.609 1.00 0.00 C ATOM 94 O GLU A 7 -9.638 -8.029 7.357 1.00 0.00 O ATOM 95 CB GLU A 7 -9.302 -5.110 9.177 1.00 0.00 C ATOM 96 CG GLU A 7 -10.034 -5.962 10.210 1.00 0.00 C ATOM 97 CD GLU A 7 -9.456 -5.711 11.593 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.248 -5.992 11.751 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.228 -5.245 12.457 1.00 0.00 O ATOM 0 H GLU A 7 -11.575 -5.551 8.047 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.905 -5.026 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.239 -5.084 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.666 -4.084 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.098 -5.724 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.942 -7.018 9.954 1.00 0.00 H new ATOM 106 N VAL A 8 -7.614 -7.114 7.754 1.00 0.00 N ATOM 107 CA VAL A 8 -6.854 -8.319 7.571 1.00 0.00 C ATOM 108 C VAL A 8 -5.598 -8.230 8.419 1.00 0.00 C ATOM 109 O VAL A 8 -5.040 -7.144 8.570 1.00 0.00 O ATOM 110 CB VAL A 8 -6.436 -8.410 6.086 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.412 -7.672 5.166 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.039 -7.836 5.834 1.00 0.00 C ATOM 0 H VAL A 8 -7.043 -6.307 8.007 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.444 -9.190 7.856 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.441 -9.476 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.078 -7.763 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.406 -8.108 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.448 -6.619 5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.795 -7.925 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.020 -6.785 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.307 -8.389 6.423 1.00 0.00 H new ATOM 122 N ARG A 9 -5.114 -9.339 8.965 1.00 0.00 N ATOM 123 CA ARG A 9 -3.729 -9.277 9.383 1.00 0.00 C ATOM 124 C ARG A 9 -2.989 -9.338 8.054 1.00 0.00 C ATOM 125 O ARG A 9 -3.156 -10.279 7.278 1.00 0.00 O ATOM 126 CB ARG A 9 -3.351 -10.396 10.348 1.00 0.00 C ATOM 127 CG ARG A 9 -1.838 -10.545 10.498 1.00 0.00 C ATOM 128 CD ARG A 9 -1.224 -11.385 9.367 1.00 0.00 C ATOM 129 NE ARG A 9 -2.177 -12.345 8.787 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.440 -13.575 9.243 1.00 0.00 C ATOM 131 NH1 ARG A 9 -1.857 -14.009 10.364 1.00 0.00 N ATOM 132 NH2 ARG A 9 -3.286 -14.369 8.573 1.00 0.00 N ATOM 0 H ARG A 9 -5.610 -10.217 9.118 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.486 -8.385 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.793 -10.196 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.773 -11.336 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.376 -9.558 10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.614 -11.011 11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.862 -10.720 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.359 -11.926 9.751 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.687 -12.043 7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.212 -13.403 10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.057 -14.947 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.728 -14.035 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.488 -15.307 8.919 1.00 0.00 H new ATOM 146 N LEU A 10 -2.246 -8.290 7.731 1.00 0.00 N ATOM 147 CA LEU A 10 -1.569 -8.234 6.462 1.00 0.00 C ATOM 148 C LEU A 10 -0.432 -9.245 6.447 1.00 0.00 C ATOM 149 O LEU A 10 0.715 -8.896 6.696 1.00 0.00 O ATOM 150 CB LEU A 10 -1.122 -6.798 6.195 1.00 0.00 C ATOM 151 CG LEU A 10 -0.330 -6.712 4.897 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.880 -7.673 3.849 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.375 -5.298 4.359 1.00 0.00 C ATOM 0 H LEU A 10 -2.103 -7.477 8.330 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.236 -8.511 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.993 -6.145 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.510 -6.442 7.024 1.00 0.00 H new ATOM 0 HG LEU A 10 0.701 -6.992 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.294 -7.588 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.820 -8.694 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.920 -7.425 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.193 -5.244 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.410 -5.014 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.059 -4.616 5.091 1.00 0.00 H new ATOM 165 N LYS A 11 -0.735 -10.490 6.094 1.00 0.00 N ATOM 166 CA LYS A 11 0.252 -11.556 6.061 1.00 0.00 C ATOM 167 C LYS A 11 1.213 -11.261 4.916 1.00 0.00 C ATOM 168 O LYS A 11 2.424 -11.429 5.066 1.00 0.00 O ATOM 169 CB LYS A 11 -0.479 -12.896 5.896 1.00 0.00 C ATOM 170 CG LYS A 11 0.299 -13.948 5.099 1.00 0.00 C ATOM 171 CD LYS A 11 0.179 -13.691 3.593 1.00 0.00 C ATOM 172 CE LYS A 11 -1.288 -13.424 3.267 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.503 -13.250 1.822 1.00 0.00 N ATOM 0 H LYS A 11 -1.673 -10.785 5.823 1.00 0.00 H new ATOM 0 HA LYS A 11 0.830 -11.616 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.702 -13.298 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.434 -12.717 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.349 -13.930 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.081 -14.942 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.793 -12.839 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.542 -14.551 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.897 -14.253 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.621 -12.530 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.515 -13.358 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.188 -12.301 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.959 -13.967 1.301 1.00 0.00 H new ATOM 187 N THR A 12 0.667 -10.766 3.801 1.00 0.00 N ATOM 188 CA THR A 12 1.469 -10.350 2.665 1.00 0.00 C ATOM 189 C THR A 12 2.530 -9.353 3.125 1.00 0.00 C ATOM 190 O THR A 12 3.705 -9.427 2.773 1.00 0.00 O ATOM 191 CB THR A 12 0.602 -9.662 1.601 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.603 -10.365 1.364 1.00 0.00 O ATOM 193 CG2 THR A 12 1.390 -9.576 0.297 1.00 0.00 C ATOM 0 H THR A 12 -0.337 -10.646 3.669 1.00 0.00 H new ATOM 0 HA THR A 12 1.931 -11.240 2.238 1.00 0.00 H new ATOM 0 HB THR A 12 0.345 -8.669 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.119 -10.419 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.781 -9.088 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.300 -8.998 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.653 -10.580 -0.036 1.00 0.00 H new ATOM 201 N GLY A 13 2.084 -8.384 3.924 1.00 0.00 N ATOM 202 CA GLY A 13 2.854 -7.217 4.295 1.00 0.00 C ATOM 203 C GLY A 13 2.883 -6.337 3.060 1.00 0.00 C ATOM 204 O GLY A 13 2.238 -5.302 3.054 1.00 0.00 O ATOM 0 H GLY A 13 1.152 -8.398 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.396 -6.697 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.862 -7.494 4.602 1.00 0.00 H new ATOM 208 N LEU A 14 3.457 -6.832 1.969 1.00 0.00 N ATOM 209 CA LEU A 14 3.666 -6.150 0.708 1.00 0.00 C ATOM 210 C LEU A 14 5.138 -5.827 0.618 1.00 0.00 C ATOM 211 O LEU A 14 5.601 -4.732 0.931 1.00 0.00 O ATOM 212 CB LEU A 14 2.793 -4.907 0.524 1.00 0.00 C ATOM 213 CG LEU A 14 1.408 -5.256 -0.029 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.711 -6.289 0.850 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.557 -3.993 -0.074 1.00 0.00 C ATOM 0 H LEU A 14 3.812 -7.788 1.947 1.00 0.00 H new ATOM 0 HA LEU A 14 3.359 -6.806 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.683 -4.396 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.289 -4.212 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 14 1.531 -5.674 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.270 -6.518 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.311 -7.198 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.594 -5.890 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.431 -4.234 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.458 -3.585 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.034 -3.256 -0.719 1.00 0.00 H new ATOM 227 N GLN A 15 5.868 -6.856 0.205 1.00 0.00 N ATOM 228 CA GLN A 15 7.307 -6.808 0.119 1.00 0.00 C ATOM 229 C GLN A 15 7.821 -7.138 -1.274 1.00 0.00 C ATOM 230 O GLN A 15 8.682 -6.413 -1.767 1.00 0.00 O ATOM 231 CB GLN A 15 7.882 -7.735 1.183 1.00 0.00 C ATOM 232 CG GLN A 15 7.437 -7.154 2.523 1.00 0.00 C ATOM 233 CD GLN A 15 7.241 -8.212 3.595 1.00 0.00 C ATOM 234 OE1 GLN A 15 7.821 -9.291 3.535 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.399 -7.914 4.576 1.00 0.00 N ATOM 0 H GLN A 15 5.467 -7.750 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 15 7.642 -5.788 0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.513 -8.753 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.969 -7.779 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.180 -6.433 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.503 -6.609 2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.935 -7.006 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.215 -8.593 5.314 1.00 0.00 H new ATOM 244 N ALA A 16 7.334 -8.193 -1.937 1.00 0.00 N ATOM 245 CA ALA A 16 7.952 -8.493 -3.215 1.00 0.00 C ATOM 246 C ALA A 16 7.013 -8.987 -4.309 1.00 0.00 C ATOM 247 O ALA A 16 7.253 -8.697 -5.478 1.00 0.00 O ATOM 248 CB ALA A 16 9.065 -9.512 -2.988 1.00 0.00 C ATOM 0 H ALA A 16 6.575 -8.805 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 16 8.330 -7.543 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.541 -9.749 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.806 -9.096 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.644 -10.420 -2.556 1.00 0.00 H new ATOM 254 N ARG A 17 5.976 -9.758 -3.983 1.00 0.00 N ATOM 255 CA ARG A 17 5.216 -10.369 -5.075 1.00 0.00 C ATOM 256 C ARG A 17 3.706 -10.326 -4.890 1.00 0.00 C ATOM 257 O ARG A 17 3.011 -9.615 -5.618 1.00 0.00 O ATOM 258 CB ARG A 17 5.671 -11.816 -5.313 1.00 0.00 C ATOM 259 CG ARG A 17 7.192 -11.949 -5.309 1.00 0.00 C ATOM 260 CD ARG A 17 7.688 -12.067 -3.867 1.00 0.00 C ATOM 261 NE ARG A 17 7.449 -13.401 -3.313 1.00 0.00 N ATOM 262 CZ ARG A 17 7.467 -13.657 -1.996 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.373 -12.662 -1.109 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.590 -14.916 -1.572 1.00 0.00 N ATOM 0 H ARG A 17 5.657 -9.966 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 17 5.433 -9.758 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.249 -12.460 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.280 -12.166 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.493 -12.826 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.645 -11.083 -5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.755 -11.845 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.186 -11.322 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 17 7.261 -14.170 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.287 -11.698 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.388 -12.866 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.670 -15.676 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.604 -15.118 -0.572 1.00 0.00 H new ATOM 278 N PRO A 18 3.194 -11.094 -3.923 1.00 0.00 N ATOM 279 CA PRO A 18 1.785 -11.152 -3.555 1.00 0.00 C ATOM 280 C PRO A 18 1.246 -9.742 -3.365 1.00 0.00 C ATOM 281 O PRO A 18 0.157 -9.405 -3.814 1.00 0.00 O ATOM 282 CB PRO A 18 1.773 -11.888 -2.219 1.00 0.00 C ATOM 283 CG PRO A 18 3.126 -11.471 -1.648 1.00 0.00 C ATOM 284 CD PRO A 18 4.000 -11.657 -2.866 1.00 0.00 C ATOM 0 HA PRO A 18 1.173 -11.642 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.943 -11.577 -1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.692 -12.968 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.126 -10.442 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.437 -12.100 -0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.953 -11.138 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.227 -12.708 -3.045 1.00 0.00 H new ATOM 292 N ALA A 19 2.049 -8.916 -2.701 1.00 0.00 N ATOM 293 CA ALA A 19 1.808 -7.523 -2.444 1.00 0.00 C ATOM 294 C ALA A 19 1.641 -6.727 -3.722 1.00 0.00 C ATOM 295 O ALA A 19 0.779 -5.857 -3.802 1.00 0.00 O ATOM 296 CB ALA A 19 3.072 -7.049 -1.788 1.00 0.00 C ATOM 0 H ALA A 19 2.936 -9.233 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 19 0.901 -7.394 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.984 -5.988 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.239 -7.612 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.913 -7.201 -2.465 1.00 0.00 H new ATOM 302 N ALA A 20 2.492 -7.013 -4.710 1.00 0.00 N ATOM 303 CA ALA A 20 2.407 -6.374 -6.007 1.00 0.00 C ATOM 304 C ALA A 20 1.066 -6.763 -6.608 1.00 0.00 C ATOM 305 O ALA A 20 0.343 -5.910 -7.113 1.00 0.00 O ATOM 306 CB ALA A 20 3.578 -6.818 -6.882 1.00 0.00 C ATOM 0 H ALA A 20 3.251 -7.690 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 20 2.470 -5.289 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.508 -6.334 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.516 -6.538 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.546 -7.900 -7.011 1.00 0.00 H new ATOM 312 N LEU A 21 0.718 -8.047 -6.486 1.00 0.00 N ATOM 313 CA LEU A 21 -0.569 -8.575 -6.920 1.00 0.00 C ATOM 314 C LEU A 21 -1.694 -7.761 -6.272 1.00 0.00 C ATOM 315 O LEU A 21 -2.572 -7.256 -6.973 1.00 0.00 O ATOM 316 CB LEU A 21 -0.637 -10.052 -6.537 1.00 0.00 C ATOM 317 CG LEU A 21 -1.536 -10.842 -7.485 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.493 -12.319 -7.101 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.975 -10.346 -7.393 1.00 0.00 C ATOM 0 H LEU A 21 1.331 -8.753 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.685 -8.493 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.367 -10.477 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.011 -10.146 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.179 -10.706 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.133 -12.889 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.469 -12.685 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.846 -12.439 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.602 -10.920 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.339 -10.472 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.014 -9.291 -7.665 1.00 0.00 H new ATOM 331 N PHE A 22 -1.605 -7.615 -4.945 1.00 0.00 N ATOM 332 CA PHE A 22 -2.450 -6.841 -4.045 1.00 0.00 C ATOM 333 C PHE A 22 -2.681 -5.465 -4.633 1.00 0.00 C ATOM 334 O PHE A 22 -3.798 -5.128 -5.009 1.00 0.00 O ATOM 335 CB PHE A 22 -1.690 -6.732 -2.708 1.00 0.00 C ATOM 336 CG PHE A 22 -2.182 -5.760 -1.644 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.301 -4.383 -1.913 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.240 -6.194 -0.312 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.541 -3.460 -0.883 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.466 -5.274 0.731 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.632 -3.908 0.446 1.00 0.00 C ATOM 0 H PHE A 22 -0.862 -8.086 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.421 -7.314 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.673 -7.726 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.658 -6.468 -2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.206 -4.031 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.110 -7.242 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.655 -2.410 -1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.512 -5.620 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.828 -3.207 1.243 1.00 0.00 H new ATOM 351 N VAL A 23 -1.618 -4.662 -4.680 1.00 0.00 N ATOM 352 CA VAL A 23 -1.691 -3.289 -5.135 1.00 0.00 C ATOM 353 C VAL A 23 -2.195 -3.239 -6.576 1.00 0.00 C ATOM 354 O VAL A 23 -2.930 -2.326 -6.936 1.00 0.00 O ATOM 355 CB VAL A 23 -0.332 -2.632 -4.892 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.252 -1.248 -5.519 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.146 -2.482 -3.380 1.00 0.00 C ATOM 0 H VAL A 23 -0.682 -4.955 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.421 -2.707 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 23 0.440 -3.256 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.729 -0.816 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.406 -1.327 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.022 -0.608 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.818 -2.015 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.944 -1.859 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.179 -3.465 -2.910 1.00 0.00 H new ATOM 367 N GLN A 24 -1.847 -4.238 -7.384 1.00 0.00 N ATOM 368 CA GLN A 24 -2.270 -4.383 -8.757 1.00 0.00 C ATOM 369 C GLN A 24 -3.792 -4.464 -8.847 1.00 0.00 C ATOM 370 O GLN A 24 -4.414 -3.663 -9.536 1.00 0.00 O ATOM 371 CB GLN A 24 -1.545 -5.626 -9.266 1.00 0.00 C ATOM 372 CG GLN A 24 -1.870 -6.038 -10.693 1.00 0.00 C ATOM 373 CD GLN A 24 -3.067 -6.958 -10.765 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.757 -7.030 -11.777 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.321 -7.688 -9.688 1.00 0.00 N ATOM 0 H GLN A 24 -1.237 -4.996 -7.078 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.014 -3.526 -9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.471 -5.454 -9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.781 -6.459 -8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.062 -5.147 -11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.005 -6.536 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.727 -7.604 -8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.110 -8.334 -9.684 1.00 0.00 H new ATOM 384 N GLU A 25 -4.399 -5.409 -8.138 1.00 0.00 N ATOM 385 CA GLU A 25 -5.832 -5.624 -8.207 1.00 0.00 C ATOM 386 C GLU A 25 -6.592 -4.550 -7.447 1.00 0.00 C ATOM 387 O GLU A 25 -7.610 -4.069 -7.937 1.00 0.00 O ATOM 388 CB GLU A 25 -6.182 -7.034 -7.736 1.00 0.00 C ATOM 389 CG GLU A 25 -5.384 -7.416 -6.490 1.00 0.00 C ATOM 390 CD GLU A 25 -5.657 -8.840 -6.030 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.434 -9.533 -6.723 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.074 -9.205 -4.987 1.00 0.00 O ATOM 0 H GLU A 25 -3.911 -6.042 -7.504 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.146 -5.541 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.249 -7.093 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.978 -7.748 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.320 -7.303 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.627 -6.725 -5.683 1.00 0.00 H new ATOM 399 N ALA A 26 -6.083 -4.155 -6.276 1.00 0.00 N ATOM 400 CA ALA A 26 -6.616 -3.046 -5.506 1.00 0.00 C ATOM 401 C ALA A 26 -6.715 -1.837 -6.431 1.00 0.00 C ATOM 402 O ALA A 26 -7.737 -1.161 -6.457 1.00 0.00 O ATOM 403 CB ALA A 26 -5.652 -2.742 -4.371 1.00 0.00 C ATOM 0 H ALA A 26 -5.280 -4.607 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.598 -3.286 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.036 -1.910 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.549 -3.622 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.678 -2.476 -4.782 1.00 0.00 H new ATOM 409 N ASN A 27 -5.639 -1.605 -7.193 1.00 0.00 N ATOM 410 CA ASN A 27 -5.552 -0.587 -8.225 1.00 0.00 C ATOM 411 C ASN A 27 -6.543 -0.845 -9.345 1.00 0.00 C ATOM 412 O ASN A 27 -7.115 0.101 -9.879 1.00 0.00 O ATOM 413 CB ASN A 27 -4.188 -0.678 -8.895 1.00 0.00 C ATOM 414 CG ASN A 27 -3.279 0.478 -8.509 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.583 1.638 -8.771 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.174 0.161 -7.848 1.00 0.00 N ATOM 0 H ASN A 27 -4.779 -2.145 -7.097 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.741 0.372 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.712 -1.619 -8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.317 -0.691 -9.977 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.538 0.895 -7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.960 -0.817 -7.652 1.00 0.00 H new ATOM 423 N ARG A 28 -6.676 -2.113 -9.756 1.00 0.00 N ATOM 424 CA ARG A 28 -7.627 -2.505 -10.793 1.00 0.00 C ATOM 425 C ARG A 28 -8.988 -1.947 -10.421 1.00 0.00 C ATOM 426 O ARG A 28 -9.679 -1.359 -11.250 1.00 0.00 O ATOM 427 CB ARG A 28 -7.713 -4.021 -10.927 1.00 0.00 C ATOM 428 CG ARG A 28 -6.366 -4.574 -11.393 1.00 0.00 C ATOM 429 CD ARG A 28 -6.448 -6.053 -11.770 1.00 0.00 C ATOM 430 NE ARG A 28 -7.149 -6.849 -10.757 1.00 0.00 N ATOM 431 CZ ARG A 28 -6.928 -8.157 -10.568 1.00 0.00 C ATOM 432 NH1 ARG A 28 -5.910 -8.760 -11.193 1.00 0.00 N ATOM 433 NH2 ARG A 28 -7.723 -8.848 -9.747 1.00 0.00 N ATOM 0 H ARG A 28 -6.130 -2.888 -9.379 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.293 -2.109 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.988 -4.465 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.493 -4.289 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.017 -4.001 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.628 -4.443 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.961 -6.154 -12.726 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.441 -6.447 -11.905 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.839 -6.384 -10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.303 -8.224 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.741 -9.756 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.493 -8.380 -9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.561 -9.844 -9.598 1.00 0.00 H new ATOM 447 N PHE A 29 -9.360 -2.131 -9.154 1.00 0.00 N ATOM 448 CA PHE A 29 -10.517 -1.463 -8.614 1.00 0.00 C ATOM 449 C PHE A 29 -10.237 0.029 -8.739 1.00 0.00 C ATOM 450 O PHE A 29 -9.379 0.565 -8.043 1.00 0.00 O ATOM 451 CB PHE A 29 -10.657 -1.797 -7.137 1.00 0.00 C ATOM 452 CG PHE A 29 -10.666 -3.272 -6.813 1.00 0.00 C ATOM 453 CD1 PHE A 29 -11.624 -4.125 -7.386 1.00 0.00 C ATOM 454 CD2 PHE A 29 -9.761 -3.769 -5.865 1.00 0.00 C ATOM 455 CE1 PHE A 29 -11.701 -5.468 -6.987 1.00 0.00 C ATOM 456 CE2 PHE A 29 -9.805 -5.125 -5.496 1.00 0.00 C ATOM 457 CZ PHE A 29 -10.799 -5.964 -6.028 1.00 0.00 C ATOM 0 H PHE A 29 -8.871 -2.737 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.425 -1.764 -9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.837 -1.326 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.581 -1.353 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.303 -3.746 -8.136 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.030 -3.111 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.450 -6.118 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.076 -5.521 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.871 -6.991 -5.700 1.00 0.00 H new ATOM 467 N THR A 30 -11.011 0.728 -9.558 1.00 0.00 N ATOM 468 CA THR A 30 -10.716 2.133 -9.794 1.00 0.00 C ATOM 469 C THR A 30 -11.104 2.973 -8.568 1.00 0.00 C ATOM 470 O THR A 30 -10.717 4.132 -8.444 1.00 0.00 O ATOM 471 CB THR A 30 -11.377 2.567 -11.107 1.00 0.00 C ATOM 472 OG1 THR A 30 -10.420 3.197 -11.927 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.560 3.512 -10.903 1.00 0.00 C ATOM 0 H THR A 30 -11.822 0.360 -10.055 1.00 0.00 H new ATOM 0 HA THR A 30 -9.646 2.297 -9.919 1.00 0.00 H new ATOM 0 HB THR A 30 -11.765 1.664 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.841 3.474 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.982 3.781 -11.871 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.321 3.017 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.222 4.413 -10.392 1.00 0.00 H new ATOM 481 N SER A 31 -11.853 2.363 -7.648 1.00 0.00 N ATOM 482 CA SER A 31 -12.198 2.858 -6.344 1.00 0.00 C ATOM 483 C SER A 31 -11.023 3.443 -5.566 1.00 0.00 C ATOM 484 O SER A 31 -9.876 3.027 -5.719 1.00 0.00 O ATOM 485 CB SER A 31 -12.703 1.635 -5.580 1.00 0.00 C ATOM 486 OG SER A 31 -13.623 0.914 -6.384 1.00 0.00 O ATOM 0 H SER A 31 -12.257 1.443 -7.823 1.00 0.00 H new ATOM 0 HA SER A 31 -12.920 3.667 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.865 0.994 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.183 1.947 -4.652 1.00 0.00 H new ATOM 0 HG SER A 31 -13.267 0.019 -6.565 1.00 0.00 H new ATOM 492 N ASP A 32 -11.340 4.370 -4.662 1.00 0.00 N ATOM 493 CA ASP A 32 -10.357 4.928 -3.756 1.00 0.00 C ATOM 494 C ASP A 32 -10.007 3.834 -2.752 1.00 0.00 C ATOM 495 O ASP A 32 -10.770 3.587 -1.821 1.00 0.00 O ATOM 496 CB ASP A 32 -10.975 6.131 -3.059 1.00 0.00 C ATOM 497 CG ASP A 32 -9.932 7.067 -2.477 1.00 0.00 C ATOM 498 OD1 ASP A 32 -8.744 6.895 -2.825 1.00 0.00 O ATOM 499 OD2 ASP A 32 -10.354 7.949 -1.698 1.00 0.00 O ATOM 0 H ASP A 32 -12.280 4.748 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.456 5.256 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.594 6.679 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.633 5.786 -2.262 1.00 0.00 H new ATOM 504 N VAL A 33 -8.920 3.115 -3.001 1.00 0.00 N ATOM 505 CA VAL A 33 -8.553 1.961 -2.193 1.00 0.00 C ATOM 506 C VAL A 33 -7.514 2.293 -1.137 1.00 0.00 C ATOM 507 O VAL A 33 -6.631 3.129 -1.334 1.00 0.00 O ATOM 508 CB VAL A 33 -8.087 0.807 -3.079 1.00 0.00 C ATOM 509 CG1 VAL A 33 -9.121 0.600 -4.178 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.726 1.115 -3.697 1.00 0.00 C ATOM 0 H VAL A 33 -8.272 3.314 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.450 1.649 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.986 -0.097 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.807 -0.221 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.085 0.361 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.211 1.512 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.414 0.280 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.798 2.017 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.993 1.268 -2.905 1.00 0.00 H new ATOM 520 N PHE A 34 -7.586 1.590 -0.014 1.00 0.00 N ATOM 521 CA PHE A 34 -6.674 1.834 1.084 1.00 0.00 C ATOM 522 C PHE A 34 -6.386 0.586 1.895 1.00 0.00 C ATOM 523 O PHE A 34 -7.034 -0.444 1.741 1.00 0.00 O ATOM 524 CB PHE A 34 -7.233 2.900 2.030 1.00 0.00 C ATOM 525 CG PHE A 34 -7.680 4.181 1.372 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.740 5.187 1.101 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.037 4.380 1.059 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.159 6.415 0.563 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.453 5.599 0.503 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.519 6.630 0.292 1.00 0.00 C ATOM 0 H PHE A 34 -8.266 0.849 0.155 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.744 2.175 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.079 2.475 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.470 3.139 2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.693 5.017 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.756 3.597 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.437 7.191 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.489 5.746 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.849 7.589 -0.079 1.00 0.00 H new ATOM 540 N LEU A 35 -5.411 0.705 2.782 1.00 0.00 N ATOM 541 CA LEU A 35 -5.086 -0.299 3.767 1.00 0.00 C ATOM 542 C LEU A 35 -4.775 0.475 5.035 1.00 0.00 C ATOM 543 O LEU A 35 -3.999 1.424 4.988 1.00 0.00 O ATOM 544 CB LEU A 35 -3.918 -1.157 3.302 1.00 0.00 C ATOM 545 CG LEU A 35 -3.750 -2.310 4.285 1.00 0.00 C ATOM 546 CD1 LEU A 35 -5.041 -3.126 4.340 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.607 -3.210 3.831 1.00 0.00 C ATOM 0 H LEU A 35 -4.811 1.528 2.833 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.903 -1.001 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.103 -1.538 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.006 -0.563 3.254 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.527 -1.909 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.921 -3.950 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.862 -2.487 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.263 -3.523 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.490 -4.033 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.829 -3.609 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.683 -2.633 3.791 1.00 0.00 H new ATOM 559 N GLU A 36 -5.434 0.125 6.133 1.00 0.00 N ATOM 560 CA GLU A 36 -5.367 0.863 7.380 1.00 0.00 C ATOM 561 C GLU A 36 -4.781 -0.023 8.472 1.00 0.00 C ATOM 562 O GLU A 36 -5.553 -0.723 9.130 1.00 0.00 O ATOM 563 CB GLU A 36 -6.791 1.237 7.788 1.00 0.00 C ATOM 564 CG GLU A 36 -7.654 1.610 6.588 1.00 0.00 C ATOM 565 CD GLU A 36 -9.072 1.899 7.045 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.844 0.924 7.159 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.357 3.094 7.270 1.00 0.00 O ATOM 0 H GLU A 36 -6.039 -0.695 6.178 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.745 1.749 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.248 0.400 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.759 2.074 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.238 2.484 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.655 0.797 5.862 1.00 0.00 H new ATOM 574 N LYS A 37 -3.468 0.004 8.696 1.00 0.00 N ATOM 575 CA LYS A 37 -2.775 -0.794 9.693 1.00 0.00 C ATOM 576 C LYS A 37 -3.336 -0.558 11.086 1.00 0.00 C ATOM 577 O LYS A 37 -2.877 0.344 11.786 1.00 0.00 O ATOM 578 CB LYS A 37 -1.316 -0.377 9.657 1.00 0.00 C ATOM 579 CG LYS A 37 -0.519 -1.209 8.661 1.00 0.00 C ATOM 580 CD LYS A 37 0.950 -0.788 8.694 1.00 0.00 C ATOM 581 CE LYS A 37 1.642 -1.303 9.960 1.00 0.00 C ATOM 582 NZ LYS A 37 1.294 -0.516 11.154 1.00 0.00 N ATOM 0 H LYS A 37 -2.839 0.607 8.165 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.900 -1.854 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.245 0.677 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.882 -0.484 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.609 -2.268 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.922 -1.076 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.462 -1.174 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.021 0.299 8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.366 -2.345 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.722 -1.279 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.161 -0.272 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.806 0.356 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.668 -1.075 11.768 1.00 0.00 H new ATOM 596 N ASP A 38 -4.350 -1.336 11.474 1.00 0.00 N ATOM 597 CA ASP A 38 -5.095 -1.126 12.704 1.00 0.00 C ATOM 598 C ASP A 38 -5.546 0.330 12.763 1.00 0.00 C ATOM 599 O ASP A 38 -5.583 0.932 13.832 1.00 0.00 O ATOM 600 CB ASP A 38 -4.225 -1.467 13.905 1.00 0.00 C ATOM 601 CG ASP A 38 -4.011 -2.971 14.010 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.868 -3.617 14.650 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.009 -3.455 13.438 1.00 0.00 O ATOM 0 H ASP A 38 -4.675 -2.137 10.932 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.970 -1.776 12.724 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.262 -0.964 13.817 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.695 -1.098 14.816 1.00 0.00 H new ATOM 608 N GLY A 39 -5.841 0.917 11.600 1.00 0.00 N ATOM 609 CA GLY A 39 -6.170 2.325 11.559 1.00 0.00 C ATOM 610 C GLY A 39 -5.202 3.117 10.678 1.00 0.00 C ATOM 611 O GLY A 39 -5.565 4.170 10.162 1.00 0.00 O ATOM 0 H GLY A 39 -5.856 0.442 10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.186 2.449 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.153 2.730 12.571 1.00 0.00 H new ATOM 615 N LYS A 40 -3.973 2.629 10.477 1.00 0.00 N ATOM 616 CA LYS A 40 -2.959 3.324 9.697 1.00 0.00 C ATOM 617 C LYS A 40 -3.240 3.160 8.215 1.00 0.00 C ATOM 618 O LYS A 40 -2.578 2.388 7.524 1.00 0.00 O ATOM 619 CB LYS A 40 -1.571 2.801 10.066 1.00 0.00 C ATOM 620 CG LYS A 40 -1.423 2.783 11.588 1.00 0.00 C ATOM 621 CD LYS A 40 -2.059 4.052 12.156 1.00 0.00 C ATOM 622 CE LYS A 40 -2.410 3.863 13.627 1.00 0.00 C ATOM 623 NZ LYS A 40 -3.227 2.654 13.835 1.00 0.00 N ATOM 0 H LYS A 40 -3.658 1.736 10.855 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.989 4.389 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.430 1.798 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.802 3.434 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.906 1.899 12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.370 2.731 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.372 4.891 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.958 4.299 11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.495 3.791 14.214 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.952 4.737 13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.840 2.788 14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.814 2.483 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.604 1.837 13.994 1.00 0.00 H new ATOM 637 N LYS A 41 -4.281 3.844 7.764 1.00 0.00 N ATOM 638 CA LYS A 41 -4.767 3.754 6.409 1.00 0.00 C ATOM 639 C LYS A 41 -3.966 4.613 5.437 1.00 0.00 C ATOM 640 O LYS A 41 -3.598 5.749 5.723 1.00 0.00 O ATOM 641 CB LYS A 41 -6.239 4.138 6.427 1.00 0.00 C ATOM 642 CG LYS A 41 -6.812 4.294 5.021 1.00 0.00 C ATOM 643 CD LYS A 41 -8.095 5.111 5.122 1.00 0.00 C ATOM 644 CE LYS A 41 -8.265 5.923 3.840 1.00 0.00 C ATOM 645 NZ LYS A 41 -9.628 6.463 3.723 1.00 0.00 N ATOM 0 H LYS A 41 -4.817 4.487 8.346 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.645 2.734 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.804 3.377 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.362 5.073 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.094 4.792 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.016 3.317 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.951 4.452 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.053 5.774 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.546 6.742 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.046 5.294 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.017 6.224 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.230 6.050 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.603 7.497 3.834 1.00 0.00 H new ATOM 659 N VAL A 42 -3.750 4.041 4.257 1.00 0.00 N ATOM 660 CA VAL A 42 -3.045 4.633 3.138 1.00 0.00 C ATOM 661 C VAL A 42 -3.629 4.088 1.852 1.00 0.00 C ATOM 662 O VAL A 42 -4.339 3.086 1.870 1.00 0.00 O ATOM 663 CB VAL A 42 -1.553 4.317 3.259 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.362 2.818 3.498 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.745 4.726 2.031 1.00 0.00 C ATOM 0 H VAL A 42 -4.083 3.099 4.050 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.159 5.717 3.136 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.182 4.901 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.298 2.596 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.868 2.529 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.783 2.260 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.304 4.473 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.121 4.197 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.840 5.801 1.874 1.00 0.00 H new ATOM 675 N ASN A 43 -3.361 4.779 0.746 1.00 0.00 N ATOM 676 CA ASN A 43 -3.842 4.367 -0.562 1.00 0.00 C ATOM 677 C ASN A 43 -3.229 3.024 -0.914 1.00 0.00 C ATOM 678 O ASN A 43 -2.063 2.929 -1.291 1.00 0.00 O ATOM 679 CB ASN A 43 -3.546 5.431 -1.613 1.00 0.00 C ATOM 680 CG ASN A 43 -3.996 5.005 -3.006 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.223 5.061 -3.952 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.239 4.566 -3.169 1.00 0.00 N ATOM 0 H ASN A 43 -2.807 5.635 0.735 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.926 4.254 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.047 6.359 -1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.476 5.639 -1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.559 4.271 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.874 4.524 -2.372 1.00 0.00 H new ATOM 689 N ALA A 44 -4.073 2.004 -0.791 1.00 0.00 N ATOM 690 CA ALA A 44 -3.768 0.592 -0.969 1.00 0.00 C ATOM 691 C ALA A 44 -3.023 0.294 -2.262 1.00 0.00 C ATOM 692 O ALA A 44 -2.242 -0.651 -2.329 1.00 0.00 O ATOM 693 CB ALA A 44 -5.076 -0.197 -0.979 1.00 0.00 C ATOM 0 H ALA A 44 -5.052 2.154 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.119 0.302 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.860 -1.257 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.598 -0.048 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.705 0.151 -1.799 1.00 0.00 H new ATOM 699 N LYS A 45 -3.306 1.080 -3.295 1.00 0.00 N ATOM 700 CA LYS A 45 -2.733 0.894 -4.608 1.00 0.00 C ATOM 701 C LYS A 45 -1.446 1.689 -4.844 1.00 0.00 C ATOM 702 O LYS A 45 -0.800 1.509 -5.876 1.00 0.00 O ATOM 703 CB LYS A 45 -3.798 1.293 -5.612 1.00 0.00 C ATOM 704 CG LYS A 45 -4.128 2.765 -5.426 1.00 0.00 C ATOM 705 CD LYS A 45 -5.036 3.164 -6.582 1.00 0.00 C ATOM 706 CE LYS A 45 -6.351 2.389 -6.469 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.144 2.462 -7.708 1.00 0.00 N ATOM 0 H LYS A 45 -3.948 1.871 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.437 -0.150 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.445 1.112 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.693 0.686 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.624 2.932 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.219 3.367 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.227 4.237 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.551 2.948 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.138 1.346 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.936 2.787 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.897 1.745 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.569 3.408 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.527 2.285 -8.526 1.00 0.00 H new ATOM 721 N SER A 46 -1.071 2.599 -3.946 1.00 0.00 N ATOM 722 CA SER A 46 0.160 3.335 -4.152 1.00 0.00 C ATOM 723 C SER A 46 1.343 2.647 -3.491 1.00 0.00 C ATOM 724 O SER A 46 1.205 1.992 -2.461 1.00 0.00 O ATOM 725 CB SER A 46 0.038 4.770 -3.645 1.00 0.00 C ATOM 726 OG SER A 46 -0.640 5.552 -4.602 1.00 0.00 O ATOM 0 H SER A 46 -1.587 2.834 -3.098 1.00 0.00 H new ATOM 0 HA SER A 46 0.339 3.360 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.501 4.787 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.028 5.185 -3.456 1.00 0.00 H new ATOM 0 HG SER A 46 -1.607 5.472 -4.464 1.00 0.00 H new ATOM 732 N ILE A 47 2.516 2.849 -4.094 1.00 0.00 N ATOM 733 CA ILE A 47 3.820 2.399 -3.624 1.00 0.00 C ATOM 734 C ILE A 47 3.919 2.486 -2.105 1.00 0.00 C ATOM 735 O ILE A 47 4.116 1.477 -1.443 1.00 0.00 O ATOM 736 CB ILE A 47 4.916 3.228 -4.318 1.00 0.00 C ATOM 737 CG1 ILE A 47 6.313 3.013 -3.722 1.00 0.00 C ATOM 738 CG2 ILE A 47 4.613 4.728 -4.314 1.00 0.00 C ATOM 739 CD1 ILE A 47 6.520 3.807 -2.428 1.00 0.00 C ATOM 0 H ILE A 47 2.581 3.361 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 47 3.957 1.349 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 47 4.915 2.860 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.461 1.952 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.067 3.309 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.419 5.263 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.674 4.911 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.530 5.080 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.523 3.622 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.399 4.871 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.785 3.493 -1.687 1.00 0.00 H new ATOM 751 N MET A 48 3.756 3.685 -1.547 1.00 0.00 N ATOM 752 CA MET A 48 3.879 3.886 -0.114 1.00 0.00 C ATOM 753 C MET A 48 2.776 3.167 0.673 1.00 0.00 C ATOM 754 O MET A 48 2.956 2.838 1.844 1.00 0.00 O ATOM 755 CB MET A 48 3.880 5.385 0.171 1.00 0.00 C ATOM 756 CG MET A 48 2.470 5.935 -0.030 1.00 0.00 C ATOM 757 SD MET A 48 2.293 7.706 0.278 1.00 0.00 S ATOM 758 CE MET A 48 3.025 7.785 1.924 1.00 0.00 C ATOM 0 H MET A 48 3.538 4.531 -2.073 1.00 0.00 H new ATOM 0 HA MET A 48 4.819 3.447 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.215 5.573 1.191 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.580 5.893 -0.493 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.157 5.726 -1.053 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.788 5.397 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.698 8.696 2.424 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.709 6.919 2.505 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.112 7.788 1.839 1.00 0.00 H new ATOM 768 N GLY A 49 1.617 2.945 0.050 1.00 0.00 N ATOM 769 CA GLY A 49 0.537 2.220 0.681 1.00 0.00 C ATOM 770 C GLY A 49 0.971 0.772 0.842 1.00 0.00 C ATOM 771 O GLY A 49 0.886 0.233 1.940 1.00 0.00 O ATOM 0 H GLY A 49 1.412 3.263 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.301 2.657 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.367 2.281 0.076 1.00 0.00 H new ATOM 775 N LEU A 50 1.467 0.176 -0.248 1.00 0.00 N ATOM 776 CA LEU A 50 1.942 -1.193 -0.302 1.00 0.00 C ATOM 777 C LEU A 50 3.222 -1.360 0.516 1.00 0.00 C ATOM 778 O LEU A 50 3.234 -1.995 1.568 1.00 0.00 O ATOM 779 CB LEU A 50 2.185 -1.498 -1.788 1.00 0.00 C ATOM 780 CG LEU A 50 2.621 -2.923 -2.149 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.721 -3.033 -3.669 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.014 -3.258 -1.639 1.00 0.00 C ATOM 0 H LEU A 50 1.547 0.659 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 50 1.216 -1.884 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.267 -1.278 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.946 -0.809 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 50 1.887 -3.594 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.031 -4.042 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.749 -2.819 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.455 -2.316 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.270 -4.279 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.737 -2.568 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.035 -3.168 -0.553 1.00 0.00 H new ATOM 794 N MET A 51 4.307 -0.786 0.006 1.00 0.00 N ATOM 795 CA MET A 51 5.644 -0.936 0.533 1.00 0.00 C ATOM 796 C MET A 51 5.875 -0.164 1.827 1.00 0.00 C ATOM 797 O MET A 51 6.632 -0.628 2.672 1.00 0.00 O ATOM 798 CB MET A 51 6.628 -0.447 -0.529 1.00 0.00 C ATOM 799 CG MET A 51 8.069 -0.630 -0.054 1.00 0.00 C ATOM 800 SD MET A 51 9.270 0.386 -0.938 1.00 0.00 S ATOM 801 CE MET A 51 8.703 2.019 -0.406 1.00 0.00 C ATOM 0 H MET A 51 4.270 -0.183 -0.816 1.00 0.00 H new ATOM 0 HA MET A 51 5.791 -1.989 0.772 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.473 -0.997 -1.457 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.442 0.605 -0.747 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.123 -0.395 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.346 -1.679 -0.163 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.286 2.789 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.649 2.138 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.832 2.115 0.672 1.00 0.00 H new ATOM 811 N SER A 52 5.298 1.029 1.980 1.00 0.00 N ATOM 812 CA SER A 52 5.588 1.799 3.175 1.00 0.00 C ATOM 813 C SER A 52 4.765 1.321 4.368 1.00 0.00 C ATOM 814 O SER A 52 5.323 0.825 5.341 1.00 0.00 O ATOM 815 CB SER A 52 5.398 3.293 2.916 1.00 0.00 C ATOM 816 OG SER A 52 6.126 3.687 1.766 1.00 0.00 O ATOM 0 H SER A 52 4.655 1.463 1.318 1.00 0.00 H new ATOM 0 HA SER A 52 6.635 1.637 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.340 3.514 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.733 3.865 3.781 1.00 0.00 H new ATOM 0 HG SER A 52 6.128 4.665 1.699 1.00 0.00 H new ATOM 822 N LEU A 53 3.445 1.502 4.330 1.00 0.00 N ATOM 823 CA LEU A 53 2.609 1.124 5.457 1.00 0.00 C ATOM 824 C LEU A 53 2.271 -0.363 5.476 1.00 0.00 C ATOM 825 O LEU A 53 2.653 -1.077 6.411 1.00 0.00 O ATOM 826 CB LEU A 53 1.321 1.928 5.423 1.00 0.00 C ATOM 827 CG LEU A 53 1.572 3.420 5.618 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.121 4.101 4.369 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.214 4.021 5.909 1.00 0.00 C ATOM 0 H LEU A 53 2.941 1.903 3.539 1.00 0.00 H new ATOM 0 HA LEU A 53 3.178 1.338 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.818 1.767 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.649 1.569 6.202 1.00 0.00 H new ATOM 0 HG LEU A 53 2.308 3.561 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.278 5.160 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.069 3.640 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.409 3.990 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.317 5.095 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.454 3.836 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.200 3.565 6.808 1.00 0.00 H new ATOM 841 N ALA A 54 1.506 -0.791 4.460 1.00 0.00 N ATOM 842 CA ALA A 54 1.005 -2.147 4.275 1.00 0.00 C ATOM 843 C ALA A 54 2.042 -3.159 4.707 1.00 0.00 C ATOM 844 O ALA A 54 1.739 -3.999 5.551 1.00 0.00 O ATOM 845 CB ALA A 54 0.615 -2.369 2.805 1.00 0.00 C ATOM 0 H ALA A 54 1.210 -0.164 3.712 1.00 0.00 H new ATOM 0 HA ALA A 54 0.119 -2.280 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.242 -3.385 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.163 -1.659 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.489 -2.221 2.170 1.00 0.00 H new ATOM 851 N VAL A 55 3.255 -3.008 4.162 1.00 0.00 N ATOM 852 CA VAL A 55 4.417 -3.876 4.311 1.00 0.00 C ATOM 853 C VAL A 55 4.535 -4.621 5.639 1.00 0.00 C ATOM 854 O VAL A 55 5.054 -5.736 5.661 1.00 0.00 O ATOM 855 CB VAL A 55 5.679 -3.069 4.017 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.999 -2.116 5.167 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.852 -4.018 3.793 1.00 0.00 C ATOM 0 H VAL A 55 3.460 -2.211 3.559 1.00 0.00 H new ATOM 0 HA VAL A 55 4.282 -4.679 3.586 1.00 0.00 H new ATOM 0 HB VAL A 55 5.508 -2.476 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.902 -1.553 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.168 -1.425 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.155 -2.689 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.752 -3.440 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.008 -4.621 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.635 -4.672 2.948 1.00 0.00 H new ATOM 867 N SER A 56 4.083 -4.003 6.728 1.00 0.00 N ATOM 868 CA SER A 56 4.072 -4.529 8.075 1.00 0.00 C ATOM 869 C SER A 56 3.244 -5.813 8.231 1.00 0.00 C ATOM 870 O SER A 56 2.164 -5.789 8.832 1.00 0.00 O ATOM 871 CB SER A 56 3.517 -3.432 8.989 1.00 0.00 C ATOM 872 OG SER A 56 4.060 -2.158 8.667 1.00 0.00 O ATOM 0 H SER A 56 3.692 -3.062 6.681 1.00 0.00 H new ATOM 0 HA SER A 56 5.092 -4.807 8.341 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.431 -3.398 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.744 -3.673 10.027 1.00 0.00 H new ATOM 0 HG SER A 56 3.506 -1.730 7.982 1.00 0.00 H new ATOM 878 N THR A 57 3.769 -6.934 7.727 1.00 0.00 N ATOM 879 CA THR A 57 3.179 -8.258 7.844 1.00 0.00 C ATOM 880 C THR A 57 2.650 -8.511 9.251 1.00 0.00 C ATOM 881 O THR A 57 3.403 -8.467 10.221 1.00 0.00 O ATOM 882 CB THR A 57 4.236 -9.313 7.510 1.00 0.00 C ATOM 883 OG1 THR A 57 4.622 -9.201 6.160 1.00 0.00 O ATOM 884 CG2 THR A 57 3.711 -10.726 7.745 1.00 0.00 C ATOM 0 H THR A 57 4.648 -6.937 7.209 1.00 0.00 H new ATOM 0 HA THR A 57 2.343 -8.319 7.147 1.00 0.00 H new ATOM 0 HB THR A 57 5.088 -9.137 8.166 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.078 -9.805 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.488 -11.449 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.429 -10.840 8.792 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.840 -10.900 7.114 1.00 0.00 H new ATOM 892 N GLY A 58 1.351 -8.782 9.364 1.00 0.00 N ATOM 893 CA GLY A 58 0.783 -9.100 10.664 1.00 0.00 C ATOM 894 C GLY A 58 -0.063 -7.975 11.252 1.00 0.00 C ATOM 895 O GLY A 58 -0.809 -8.207 12.199 1.00 0.00 O ATOM 0 H GLY A 58 0.689 -8.787 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.169 -9.996 10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.591 -9.336 11.357 1.00 0.00 H new ATOM 899 N THR A 59 0.009 -6.771 10.690 1.00 0.00 N ATOM 900 CA THR A 59 -0.792 -5.666 11.196 1.00 0.00 C ATOM 901 C THR A 59 -2.243 -5.916 10.799 1.00 0.00 C ATOM 902 O THR A 59 -2.494 -6.296 9.655 1.00 0.00 O ATOM 903 CB THR A 59 -0.298 -4.339 10.608 1.00 0.00 C ATOM 904 OG1 THR A 59 1.097 -4.191 10.760 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.962 -3.160 11.309 1.00 0.00 C ATOM 0 H THR A 59 0.605 -6.540 9.896 1.00 0.00 H new ATOM 0 HA THR A 59 -0.706 -5.603 12.281 1.00 0.00 H new ATOM 0 HB THR A 59 -0.555 -4.354 9.549 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.559 -4.836 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.598 -2.228 10.877 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.043 -3.222 11.180 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.721 -3.186 12.372 1.00 0.00 H new ATOM 913 N GLU A 60 -3.204 -5.719 11.703 1.00 0.00 N ATOM 914 CA GLU A 60 -4.600 -5.914 11.342 1.00 0.00 C ATOM 915 C GLU A 60 -5.062 -4.659 10.609 1.00 0.00 C ATOM 916 O GLU A 60 -5.669 -3.747 11.166 1.00 0.00 O ATOM 917 CB GLU A 60 -5.443 -6.266 12.564 1.00 0.00 C ATOM 918 CG GLU A 60 -4.842 -7.475 13.281 1.00 0.00 C ATOM 919 CD GLU A 60 -5.657 -7.854 14.508 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.647 -8.596 14.323 1.00 0.00 O ATOM 921 OE2 GLU A 60 -5.269 -7.405 15.607 1.00 0.00 O ATOM 0 H GLU A 60 -3.043 -5.431 12.668 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.722 -6.767 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.487 -5.415 13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.467 -6.485 12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.798 -8.322 12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.817 -7.252 13.578 1.00 0.00 H new ATOM 928 N VAL A 61 -4.693 -4.599 9.338 1.00 0.00 N ATOM 929 CA VAL A 61 -4.927 -3.469 8.472 1.00 0.00 C ATOM 930 C VAL A 61 -6.248 -3.627 7.729 1.00 0.00 C ATOM 931 O VAL A 61 -6.527 -4.664 7.133 1.00 0.00 O ATOM 932 CB VAL A 61 -3.716 -3.294 7.551 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.426 -3.345 8.361 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.541 -4.452 6.585 1.00 0.00 C ATOM 0 H VAL A 61 -4.207 -5.365 8.872 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.029 -2.552 9.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.893 -2.350 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.573 -3.219 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.429 -2.545 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.352 -4.307 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.668 -4.274 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.402 -5.376 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.427 -4.539 5.957 1.00 0.00 H new ATOM 944 N THR A 62 -7.090 -2.600 7.780 1.00 0.00 N ATOM 945 CA THR A 62 -8.381 -2.665 7.117 1.00 0.00 C ATOM 946 C THR A 62 -8.236 -2.216 5.670 1.00 0.00 C ATOM 947 O THR A 62 -7.739 -1.126 5.400 1.00 0.00 O ATOM 948 CB THR A 62 -9.434 -1.870 7.890 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.413 -2.252 9.249 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.820 -2.207 7.352 1.00 0.00 C ATOM 0 H THR A 62 -6.902 -1.724 8.268 1.00 0.00 H new ATOM 0 HA THR A 62 -8.735 -3.696 7.104 1.00 0.00 H new ATOM 0 HB THR A 62 -9.218 -0.807 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.331 -2.318 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.571 -1.641 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.873 -1.948 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.008 -3.274 7.474 1.00 0.00 H new ATOM 958 N LEU A 63 -8.624 -3.071 4.731 1.00 0.00 N ATOM 959 CA LEU A 63 -8.501 -2.757 3.330 1.00 0.00 C ATOM 960 C LEU A 63 -9.785 -2.112 2.837 1.00 0.00 C ATOM 961 O LEU A 63 -10.860 -2.710 2.874 1.00 0.00 O ATOM 962 CB LEU A 63 -8.124 -4.014 2.562 1.00 0.00 C ATOM 963 CG LEU A 63 -7.625 -3.593 1.187 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.474 -4.506 0.783 1.00 0.00 C ATOM 965 CD2 LEU A 63 -8.768 -3.676 0.180 1.00 0.00 C ATOM 0 H LEU A 63 -9.027 -3.988 4.925 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.704 -2.033 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.351 -4.569 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.985 -4.676 2.469 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.269 -2.563 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.107 -4.215 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.668 -4.419 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.823 -5.538 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.409 -3.374 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.138 -4.700 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.575 -3.013 0.491 1.00 0.00 H new ATOM 977 N ILE A 64 -9.657 -0.862 2.412 1.00 0.00 N ATOM 978 CA ILE A 64 -10.741 -0.032 1.948 1.00 0.00 C ATOM 979 C ILE A 64 -10.790 0.033 0.431 1.00 0.00 C ATOM 980 O ILE A 64 -9.777 -0.098 -0.253 1.00 0.00 O ATOM 981 CB ILE A 64 -10.514 1.400 2.441 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.298 1.489 3.943 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.722 2.257 2.080 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.062 2.952 4.303 1.00 0.00 C ATOM 0 H ILE A 64 -8.755 -0.387 2.383 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.668 -0.462 2.327 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.607 1.757 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.166 1.101 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.444 0.881 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.562 3.277 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.855 2.261 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.614 1.846 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.904 3.041 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.182 3.319 3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.931 3.543 4.014 1.00 0.00 H new ATOM 996 N ALA A 65 -11.980 0.307 -0.082 1.00 0.00 N ATOM 997 CA ALA A 65 -12.204 0.672 -1.452 1.00 0.00 C ATOM 998 C ALA A 65 -13.412 1.583 -1.388 1.00 0.00 C ATOM 999 O ALA A 65 -14.366 1.312 -0.653 1.00 0.00 O ATOM 1000 CB ALA A 65 -12.431 -0.541 -2.339 1.00 0.00 C ATOM 0 H ALA A 65 -12.837 0.277 0.471 1.00 0.00 H new ATOM 0 HA ALA A 65 -11.342 1.164 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.596 -0.215 -3.366 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.555 -1.189 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.305 -1.090 -1.988 1.00 0.00 H new ATOM 1006 N GLN A 66 -13.342 2.698 -2.099 1.00 0.00 N ATOM 1007 CA GLN A 66 -14.394 3.682 -2.069 1.00 0.00 C ATOM 1008 C GLN A 66 -14.477 4.343 -3.437 1.00 0.00 C ATOM 1009 O GLN A 66 -14.303 5.545 -3.631 1.00 0.00 O ATOM 1010 CB GLN A 66 -14.148 4.546 -0.833 1.00 0.00 C ATOM 1011 CG GLN A 66 -14.912 5.858 -0.740 1.00 0.00 C ATOM 1012 CD GLN A 66 -14.079 7.045 -1.199 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -14.528 7.828 -2.032 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.872 7.189 -0.668 1.00 0.00 N ATOM 0 H GLN A 66 -12.558 2.938 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.406 3.299 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.389 3.952 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.083 4.771 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -15.815 5.794 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -15.231 6.018 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.535 6.517 0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.281 7.972 -0.949 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.706 3.480 -4.420 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.867 3.823 -5.809 1.00 0.00 C ATOM 1025 C GLY A 67 -15.875 2.866 -6.428 1.00 0.00 C ATOM 1026 O GLY A 67 -16.604 2.187 -5.707 1.00 0.00 O ATOM 0 H GLY A 67 -14.786 2.477 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.212 4.852 -5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.912 3.756 -6.329 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.870 2.785 -7.757 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.783 1.960 -8.533 1.00 0.00 C ATOM 1032 C GLU A 68 -17.083 0.590 -7.924 1.00 0.00 C ATOM 1033 O GLU A 68 -18.245 0.196 -7.869 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.222 1.781 -9.943 1.00 0.00 C ATOM 1035 CG GLU A 68 -14.833 1.140 -9.869 1.00 0.00 C ATOM 1036 CD GLU A 68 -14.297 0.757 -11.240 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -15.026 0.981 -12.229 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -13.154 0.250 -11.263 1.00 0.00 O ATOM 0 H GLU A 68 -15.212 3.307 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.735 2.492 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.891 1.155 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.161 2.746 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.141 1.834 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.879 0.252 -9.239 1.00 0.00 H new ATOM 1045 N ASP A 69 -16.063 -0.173 -7.525 1.00 0.00 N ATOM 1046 CA ASP A 69 -16.340 -1.478 -6.971 1.00 0.00 C ATOM 1047 C ASP A 69 -15.958 -1.557 -5.525 1.00 0.00 C ATOM 1048 O ASP A 69 -15.628 -2.654 -5.102 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.634 -2.601 -7.739 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.168 -2.295 -8.024 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.538 -1.621 -7.179 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.694 -2.737 -9.092 1.00 0.00 O ATOM 0 H ASP A 69 -15.078 0.086 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.417 -1.618 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.702 -3.525 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.154 -2.772 -8.682 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.047 -0.455 -4.779 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.545 -0.367 -3.429 1.00 0.00 C ATOM 1059 C GLU A 70 -15.724 -1.654 -2.647 1.00 0.00 C ATOM 1060 O GLU A 70 -14.711 -2.278 -2.360 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.121 0.868 -2.754 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.519 1.315 -3.186 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.637 0.539 -2.520 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -19.002 0.920 -1.387 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.090 -0.444 -3.144 1.00 0.00 O ATOM 0 H GLU A 70 -16.478 0.408 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.463 -0.242 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.142 0.687 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.434 1.697 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.639 2.375 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.608 1.208 -4.267 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.958 -2.095 -2.411 1.00 0.00 N ATOM 1073 CA GLN A 71 -17.275 -3.336 -1.726 1.00 0.00 C ATOM 1074 C GLN A 71 -16.349 -4.471 -2.184 1.00 0.00 C ATOM 1075 O GLN A 71 -15.583 -5.039 -1.407 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.733 -3.678 -2.071 1.00 0.00 C ATOM 1077 CG GLN A 71 -19.466 -4.486 -0.995 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.647 -5.679 -0.551 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.721 -6.758 -1.128 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.809 -5.448 0.446 1.00 0.00 N ATOM 0 H GLN A 71 -17.788 -1.578 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.138 -3.220 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.279 -2.751 -2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.750 -4.240 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.676 -3.847 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.426 -4.825 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.788 -4.531 0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.184 -6.187 0.769 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.411 -4.784 -3.475 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.656 -5.870 -4.057 1.00 0.00 C ATOM 1091 C GLU A 72 -14.152 -5.627 -3.954 1.00 0.00 C ATOM 1092 O GLU A 72 -13.381 -6.558 -3.734 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.067 -5.928 -5.530 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.120 -6.770 -6.379 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.198 -6.403 -7.851 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.243 -5.850 -8.256 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.190 -6.677 -8.538 1.00 0.00 O ATOM 0 H GLU A 72 -16.994 -4.282 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.863 -6.802 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.075 -6.337 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.104 -4.915 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.098 -6.634 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.363 -7.825 -6.255 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.749 -4.378 -4.166 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.388 -3.909 -4.170 1.00 0.00 C ATOM 1106 C ALA A 73 -11.734 -4.211 -2.825 1.00 0.00 C ATOM 1107 O ALA A 73 -10.711 -4.893 -2.731 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.527 -2.420 -4.459 1.00 0.00 C ATOM 0 H ALA A 73 -14.415 -3.627 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.744 -4.390 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.539 -1.960 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.017 -2.281 -5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.125 -1.952 -3.677 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.369 -3.716 -1.768 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.926 -3.948 -0.412 1.00 0.00 C ATOM 1116 C LEU A 74 -11.963 -5.446 -0.107 1.00 0.00 C ATOM 1117 O LEU A 74 -11.003 -5.972 0.457 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.742 -3.074 0.542 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.240 -3.134 0.271 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.980 -3.930 1.336 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.756 -1.700 0.225 1.00 0.00 C ATOM 0 H LEU A 74 -13.209 -3.141 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.887 -3.650 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.551 -3.389 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.404 -2.041 0.458 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.417 -3.644 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -16.045 -3.947 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.597 -4.950 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.829 -3.464 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.829 -1.705 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.561 -1.213 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.247 -1.156 -0.570 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.025 -6.143 -0.533 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.142 -7.580 -0.338 1.00 0.00 C ATOM 1135 C GLU A 75 -11.976 -8.373 -0.908 1.00 0.00 C ATOM 1136 O GLU A 75 -11.317 -9.088 -0.162 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.406 -8.123 -1.002 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.674 -7.647 -0.308 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.669 -7.991 1.173 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -15.281 -9.132 1.500 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.066 -7.091 1.943 1.00 0.00 O ATOM 0 H GLU A 75 -13.818 -5.723 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.164 -7.707 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.427 -7.811 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.378 -9.213 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.773 -6.568 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.542 -8.103 -0.784 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.753 -8.301 -2.224 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.746 -9.136 -2.868 1.00 0.00 C ATOM 1150 C LYS A 76 -9.386 -8.933 -2.222 1.00 0.00 C ATOM 1151 O LYS A 76 -8.728 -9.888 -1.807 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.677 -8.873 -4.376 1.00 0.00 C ATOM 1153 CG LYS A 76 -12.080 -8.780 -4.974 1.00 0.00 C ATOM 1154 CD LYS A 76 -12.134 -9.223 -6.441 1.00 0.00 C ATOM 1155 CE LYS A 76 -11.013 -8.643 -7.305 1.00 0.00 C ATOM 1156 NZ LYS A 76 -11.201 -9.020 -8.715 1.00 0.00 N ATOM 0 H LYS A 76 -12.254 -7.677 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.042 -10.176 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.134 -7.947 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.121 -9.673 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.761 -9.397 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.435 -7.752 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.086 -10.311 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.095 -8.929 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.999 -7.557 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.048 -9.006 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.481 -8.549 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.107 -10.051 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.148 -8.726 -9.030 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.987 -7.670 -2.114 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.720 -7.323 -1.531 1.00 0.00 C ATOM 1172 C LEU A 77 -7.618 -7.786 -0.084 1.00 0.00 C ATOM 1173 O LEU A 77 -6.732 -8.583 0.209 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.527 -5.828 -1.698 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.648 -5.544 -2.908 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.233 -5.627 -2.384 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -6.769 -6.598 -4.001 1.00 0.00 C ATOM 0 H LEU A 77 -9.537 -6.871 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.910 -7.842 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.494 -5.340 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.070 -5.410 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.935 -4.587 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.532 -5.434 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.092 -4.884 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.053 -6.623 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.117 -6.335 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.476 -7.570 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.801 -6.645 -4.349 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.508 -7.349 0.816 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.414 -7.761 2.212 1.00 0.00 C ATOM 1191 C ALA A 78 -8.522 -9.277 2.366 1.00 0.00 C ATOM 1192 O ALA A 78 -7.938 -9.857 3.282 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.465 -7.050 3.053 1.00 0.00 C ATOM 0 H ALA A 78 -9.285 -6.723 0.604 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.428 -7.471 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.378 -7.371 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.312 -5.973 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.459 -7.297 2.679 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.266 -9.928 1.474 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.360 -11.369 1.450 1.00 0.00 C ATOM 1201 C ALA A 79 -7.971 -11.941 1.217 1.00 0.00 C ATOM 1202 O ALA A 79 -7.485 -12.754 1.997 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.263 -11.774 0.290 1.00 0.00 C ATOM 0 H ALA A 79 -9.817 -9.463 0.752 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.765 -11.742 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.346 -12.860 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.252 -11.339 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.837 -11.413 -0.646 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.323 -11.475 0.147 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.033 -11.976 -0.273 1.00 0.00 C ATOM 1211 C TYR A 80 -4.926 -11.691 0.743 1.00 0.00 C ATOM 1212 O TYR A 80 -4.278 -12.608 1.243 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.747 -11.330 -1.625 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.442 -11.751 -2.265 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.110 -13.114 -2.343 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.528 -10.780 -2.713 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.871 -13.506 -2.875 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.281 -11.174 -3.235 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.955 -12.536 -3.317 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.750 -12.924 -3.817 1.00 0.00 O ATOM 0 H TYR A 80 -7.690 -10.734 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.055 -13.063 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.564 -11.569 -2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.742 -10.247 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.808 -13.860 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.783 -9.732 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.622 -14.554 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.576 -10.428 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.839 -13.804 -4.238 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.727 -10.410 1.047 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.677 -9.868 1.906 1.00 0.00 C ATOM 1232 C VAL A 81 -3.367 -10.662 3.171 1.00 0.00 C ATOM 1233 O VAL A 81 -2.209 -10.724 3.593 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.098 -8.467 2.342 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.326 -7.584 1.131 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.418 -8.554 3.098 1.00 0.00 C ATOM 0 H VAL A 81 -5.333 -9.678 0.677 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.770 -9.898 1.302 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.309 -8.049 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.626 -6.588 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.405 -7.514 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.112 -8.014 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.724 -7.556 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.182 -8.980 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.294 -9.188 3.976 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.395 -11.217 3.802 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.270 -11.897 5.073 1.00 0.00 C ATOM 1248 C GLN A 82 -4.513 -13.397 4.980 1.00 0.00 C ATOM 1249 O GLN A 82 -4.552 -14.075 6.005 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.356 -11.293 5.948 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.742 -11.812 5.572 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.750 -11.184 6.519 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.677 -11.369 7.730 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.620 -10.350 5.974 1.00 0.00 N ATOM 0 H GLN A 82 -5.347 -11.204 3.436 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.257 -11.773 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.152 -11.526 6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.337 -10.207 5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.978 -11.555 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.775 -12.899 5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.644 -10.228 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.267 -9.829 6.566 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.725 -13.889 3.762 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.239 -15.213 3.521 1.00 0.00 C ATOM 1265 C GLU A 83 -4.185 -16.308 3.577 1.00 0.00 C ATOM 1266 O GLU A 83 -4.279 -17.201 4.415 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.968 -15.110 2.189 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.882 -16.292 1.889 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.624 -16.049 0.584 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.926 -15.850 -0.434 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -8.873 -16.059 0.632 1.00 0.00 O ATOM 0 H GLU A 83 -4.538 -13.362 2.909 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.915 -15.529 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.560 -14.195 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.232 -15.021 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.296 -17.209 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.594 -16.429 2.703 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.200 -16.286 2.679 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.199 -17.328 2.704 1.00 0.00 C ATOM 1280 C GLU A 84 -0.976 -16.835 3.476 1.00 0.00 C ATOM 1281 O GLU A 84 -1.101 -16.298 4.573 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.903 -17.803 1.273 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.345 -16.699 0.365 1.00 0.00 C ATOM 1284 CD GLU A 84 -2.424 -15.997 -0.447 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -3.152 -15.186 0.163 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -2.474 -16.268 -1.666 1.00 0.00 O ATOM 0 H GLU A 84 -3.082 -15.580 1.952 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.559 -18.209 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.189 -18.626 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.819 -18.196 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.821 -15.964 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.610 -17.131 -0.314 1.00 0.00 H new ATOM 1293 N VAL A 85 0.209 -16.996 2.896 1.00 0.00 N ATOM 1294 CA VAL A 85 1.461 -16.513 3.444 1.00 0.00 C ATOM 1295 C VAL A 85 2.295 -16.127 2.230 1.00 0.00 C ATOM 1296 O VAL A 85 2.427 -16.948 1.270 1.00 0.00 O ATOM 1297 CB VAL A 85 2.200 -17.611 4.307 1.00 0.00 C ATOM 1298 CG1 VAL A 85 2.549 -18.940 3.581 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.530 -17.127 4.934 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.857 -14.989 2.178 1.00 0.00 O ATOM 0 H VAL A 85 0.323 -17.481 2.006 1.00 0.00 H new ATOM 0 HA VAL A 85 1.297 -15.677 4.123 1.00 0.00 H new ATOM 0 HB VAL A 85 1.436 -17.800 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.053 -19.612 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.633 -19.409 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.206 -18.732 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.976 -17.937 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.216 -16.824 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.335 -16.279 5.590 1.00 0.00 H new TER 1310 VAL A 85