USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 74 ASN :FLIP amide:sc= -6.45! C(o=-7.5!,f=-6.1!) USER MOD Set 1.2: A 76 THR OG1 : rot 70:sc= 0.394 USER MOD Set 2.1: A 61 SER OG : rot 108:sc= -0.652 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 156:sc= 0.966 (180deg=-0.139) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= -1.29 (180deg=-4.26!) USER MOD Single : A 26 GLN : amide:sc= -2.1 K(o=-2.1,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 140:sc= -1.29 USER MOD Single : A 46 THR OG1 : rot -140:sc= -2.97! USER MOD Single : A 51 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 52 MET CE :methyl 158:sc= -4.09! (180deg=-5.41!) USER MOD Single : A 53 MET CE :methyl 155:sc= -0.67 (180deg=-2.27) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= -0.375 (180deg=-0.88) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.531 F(o=-2.2,f=-0.53) USER MOD Single : A 69 GLN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 71 MET CE :methyl 180:sc= -1.92 (180deg=-1.92) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -130:sc= -0.263 USER MOD Single : A 86 CYS SG : rot 70:sc= -4.5 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.896 F(o=-2.2,f=-0.9) USER MOD Single : A 88 SER OG : rot -67:sc= 1.13 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.287) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : A 97 SER OG : rot 0:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 16 N PHE A 18 -1.535 -4.847 -10.452 1.00 0.00 N ATOM 17 CA PHE A 18 -0.271 -4.135 -10.301 1.00 0.00 C ATOM 18 C PHE A 18 -0.434 -2.667 -10.682 1.00 0.00 C ATOM 19 O PHE A 18 -1.239 -2.332 -11.552 1.00 0.00 O ATOM 20 CB PHE A 18 0.808 -4.783 -11.170 1.00 0.00 C ATOM 21 CG PHE A 18 1.964 -5.326 -10.384 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.711 -4.498 -9.562 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.306 -6.667 -10.468 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.777 -4.995 -8.838 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.371 -7.170 -9.746 1.00 0.00 C ATOM 26 CZ PHE A 18 4.108 -6.333 -8.930 1.00 0.00 C ATOM 0 HA PHE A 18 0.033 -4.192 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.360 -5.591 -11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.178 -4.047 -11.884 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.457 -3.451 -9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.734 -7.325 -11.105 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.351 -4.339 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.627 -8.217 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.941 -6.724 -8.365 1.00 0.00 H new ATOM 36 N LYS A 19 0.325 -1.790 -10.031 1.00 0.00 N ATOM 37 CA LYS A 19 0.238 -0.364 -10.325 1.00 0.00 C ATOM 38 C LYS A 19 1.461 0.405 -9.844 1.00 0.00 C ATOM 39 O LYS A 19 1.986 0.159 -8.759 1.00 0.00 O ATOM 40 CB LYS A 19 -1.006 0.237 -9.678 1.00 0.00 C ATOM 41 CG LYS A 19 -1.065 0.010 -8.190 1.00 0.00 C ATOM 42 CD LYS A 19 -2.119 -1.025 -7.828 1.00 0.00 C ATOM 43 CE LYS A 19 -3.357 -0.377 -7.227 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.444 -0.217 -8.231 1.00 0.00 N ATOM 0 H LYS A 19 0.998 -2.037 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 19 0.183 -0.273 -11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.031 1.308 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.894 -0.194 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.090 -0.321 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.288 0.950 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.398 -1.588 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.700 -1.739 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.717 -0.984 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.094 0.599 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.269 0.228 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.110 0.383 -9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.714 -1.150 -8.602 1.00 0.00 H new ATOM 58 N ASP A 20 1.867 1.374 -10.651 1.00 0.00 N ATOM 59 CA ASP A 20 2.988 2.246 -10.321 1.00 0.00 C ATOM 60 C ASP A 20 2.452 3.427 -9.532 1.00 0.00 C ATOM 61 O ASP A 20 2.340 4.542 -10.048 1.00 0.00 O ATOM 62 CB ASP A 20 3.691 2.728 -11.594 1.00 0.00 C ATOM 63 CG ASP A 20 5.003 2.009 -11.838 1.00 0.00 C ATOM 64 OD1 ASP A 20 5.793 1.874 -10.880 1.00 0.00 O ATOM 65 OD2 ASP A 20 5.240 1.580 -12.987 1.00 0.00 O ATOM 0 H ASP A 20 1.431 1.579 -11.550 1.00 0.00 H new ATOM 0 HA ASP A 20 3.721 1.700 -9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.032 2.576 -12.449 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.876 3.800 -11.520 1.00 0.00 H new ATOM 70 N VAL A 21 2.085 3.162 -8.286 1.00 0.00 N ATOM 71 CA VAL A 21 1.517 4.178 -7.421 1.00 0.00 C ATOM 72 C VAL A 21 2.463 5.354 -7.242 1.00 0.00 C ATOM 73 O VAL A 21 3.609 5.193 -6.822 1.00 0.00 O ATOM 74 CB VAL A 21 1.145 3.586 -6.046 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.713 4.676 -5.069 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.046 2.548 -6.206 1.00 0.00 C ATOM 0 H VAL A 21 2.173 2.243 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 21 0.611 4.542 -7.905 1.00 0.00 H new ATOM 0 HB VAL A 21 2.031 3.105 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.458 4.225 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.529 5.385 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.157 5.198 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.210 2.136 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.835 3.016 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.394 1.747 -6.858 1.00 0.00 H new ATOM 86 N PHE A 22 1.961 6.541 -7.556 1.00 0.00 N ATOM 87 CA PHE A 22 2.739 7.758 -7.419 1.00 0.00 C ATOM 88 C PHE A 22 2.132 8.642 -6.342 1.00 0.00 C ATOM 89 O PHE A 22 1.118 9.302 -6.569 1.00 0.00 O ATOM 90 CB PHE A 22 2.774 8.521 -8.749 1.00 0.00 C ATOM 91 CG PHE A 22 4.094 9.175 -9.072 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.159 9.143 -8.181 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.270 9.817 -10.290 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.362 9.734 -8.499 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.474 10.407 -10.612 1.00 0.00 C ATOM 96 CZ PHE A 22 6.522 10.365 -9.714 1.00 0.00 C ATOM 0 H PHE A 22 1.014 6.684 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 22 3.757 7.490 -7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.521 7.831 -9.554 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.000 9.288 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.043 8.649 -7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.453 9.855 -10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.181 9.703 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.597 10.901 -11.565 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.466 10.826 -9.963 1.00 0.00 H new ATOM 106 N ILE A 23 2.751 8.660 -5.172 1.00 0.00 N ATOM 107 CA ILE A 23 2.255 9.475 -4.078 1.00 0.00 C ATOM 108 C ILE A 23 3.027 10.778 -4.002 1.00 0.00 C ATOM 109 O ILE A 23 4.159 10.816 -3.524 1.00 0.00 O ATOM 110 CB ILE A 23 2.363 8.741 -2.732 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.768 7.338 -2.849 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.678 9.536 -1.630 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.256 7.316 -2.958 1.00 0.00 C ATOM 0 H ILE A 23 3.592 8.123 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 23 1.203 9.680 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 23 3.416 8.646 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.192 6.847 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.068 6.754 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.766 8.999 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.152 10.513 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.624 9.666 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.088 6.285 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.179 7.777 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.053 7.871 -3.844 1.00 0.00 H new ATOM 125 N GLU A 24 2.404 11.843 -4.482 1.00 0.00 N ATOM 126 CA GLU A 24 3.025 13.159 -4.480 1.00 0.00 C ATOM 127 C GLU A 24 2.525 13.981 -3.299 1.00 0.00 C ATOM 128 O GLU A 24 1.334 14.269 -3.188 1.00 0.00 O ATOM 129 CB GLU A 24 2.734 13.877 -5.800 1.00 0.00 C ATOM 130 CG GLU A 24 3.076 13.051 -7.028 1.00 0.00 C ATOM 131 CD GLU A 24 2.007 13.128 -8.101 1.00 0.00 C ATOM 132 OE1 GLU A 24 1.201 14.082 -8.067 1.00 0.00 O ATOM 133 OE2 GLU A 24 1.974 12.235 -8.974 1.00 0.00 O ATOM 0 H GLU A 24 1.465 11.822 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 24 4.104 13.040 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.678 14.144 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.299 14.809 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.024 13.396 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.216 12.011 -6.734 1.00 0.00 H new ATOM 140 N LYS A 25 3.443 14.340 -2.409 1.00 0.00 N ATOM 141 CA LYS A 25 3.097 15.112 -1.222 1.00 0.00 C ATOM 142 C LYS A 25 4.112 16.222 -0.973 1.00 0.00 C ATOM 143 O LYS A 25 4.948 16.516 -1.826 1.00 0.00 O ATOM 144 CB LYS A 25 3.035 14.185 -0.005 1.00 0.00 C ATOM 145 CG LYS A 25 4.363 13.512 0.309 1.00 0.00 C ATOM 146 CD LYS A 25 4.165 12.163 0.978 1.00 0.00 C ATOM 147 CE LYS A 25 5.451 11.352 0.984 1.00 0.00 C ATOM 148 NZ LYS A 25 5.217 9.935 1.377 1.00 0.00 N ATOM 0 H LYS A 25 4.433 14.108 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 25 2.122 15.572 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.712 14.759 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.280 13.419 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.932 13.382 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.953 14.158 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.821 12.310 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.385 11.608 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.903 11.383 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.163 11.806 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.803 9.310 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.471 9.806 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.213 9.698 1.242 1.00 0.00 H new ATOM 162 N GLN A 26 4.032 16.830 0.205 1.00 0.00 N ATOM 163 CA GLN A 26 4.947 17.899 0.577 1.00 0.00 C ATOM 164 C GLN A 26 6.066 17.355 1.456 1.00 0.00 C ATOM 165 O GLN A 26 5.882 16.367 2.166 1.00 0.00 O ATOM 166 CB GLN A 26 4.198 19.009 1.317 1.00 0.00 C ATOM 167 CG GLN A 26 3.596 20.057 0.396 1.00 0.00 C ATOM 168 CD GLN A 26 2.535 19.486 -0.523 1.00 0.00 C ATOM 169 OE1 GLN A 26 2.811 18.610 -1.342 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.309 19.980 -0.391 1.00 0.00 N ATOM 0 H GLN A 26 3.341 16.599 0.919 1.00 0.00 H new ATOM 0 HA GLN A 26 5.381 18.313 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.403 18.563 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.882 19.497 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.160 20.855 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.388 20.506 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.123 20.706 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.553 19.633 -0.982 1.00 0.00 H new ATOM 179 N LYS A 27 7.222 18.002 1.407 1.00 0.00 N ATOM 180 CA LYS A 27 8.363 17.573 2.204 1.00 0.00 C ATOM 181 C LYS A 27 8.026 17.598 3.688 1.00 0.00 C ATOM 182 O LYS A 27 7.448 18.561 4.192 1.00 0.00 O ATOM 183 CB LYS A 27 9.572 18.457 1.917 1.00 0.00 C ATOM 184 CG LYS A 27 10.139 18.242 0.525 1.00 0.00 C ATOM 185 CD LYS A 27 11.620 17.901 0.571 1.00 0.00 C ATOM 186 CE LYS A 27 12.135 17.469 -0.792 1.00 0.00 C ATOM 187 NZ LYS A 27 13.119 18.439 -1.348 1.00 0.00 N ATOM 0 H LYS A 27 7.394 18.823 0.826 1.00 0.00 H new ATOM 0 HA LYS A 27 8.607 16.547 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.287 19.503 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.348 18.255 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.595 17.438 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.990 19.142 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.183 18.768 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.788 17.103 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.601 16.487 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.297 17.367 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.446 18.108 -2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.668 19.370 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.931 18.517 -0.703 1.00 0.00 H new ATOM 201 N GLY A 28 8.371 16.520 4.377 1.00 0.00 N ATOM 202 CA GLY A 28 8.082 16.415 5.791 1.00 0.00 C ATOM 203 C GLY A 28 6.762 15.712 6.041 1.00 0.00 C ATOM 204 O GLY A 28 6.226 15.761 7.148 1.00 0.00 O ATOM 0 H GLY A 28 8.849 15.712 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.885 15.870 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.053 17.411 6.232 1.00 0.00 H new ATOM 208 N GLU A 29 6.233 15.061 5.004 1.00 0.00 N ATOM 209 CA GLU A 29 4.960 14.353 5.117 1.00 0.00 C ATOM 210 C GLU A 29 5.107 12.878 4.747 1.00 0.00 C ATOM 211 O GLU A 29 5.754 12.538 3.756 1.00 0.00 O ATOM 212 CB GLU A 29 3.910 15.005 4.217 1.00 0.00 C ATOM 213 CG GLU A 29 3.468 16.380 4.689 1.00 0.00 C ATOM 214 CD GLU A 29 2.997 16.378 6.130 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.842 15.972 6.377 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.783 16.782 7.014 1.00 0.00 O ATOM 0 H GLU A 29 6.665 15.010 4.081 1.00 0.00 H new ATOM 0 HA GLU A 29 4.639 14.415 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.312 15.089 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.038 14.353 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.296 17.080 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.663 16.739 4.048 1.00 0.00 H new ATOM 223 N ILE A 30 4.494 12.005 5.545 1.00 0.00 N ATOM 224 CA ILE A 30 4.546 10.574 5.297 1.00 0.00 C ATOM 225 C ILE A 30 3.398 10.139 4.393 1.00 0.00 C ATOM 226 O ILE A 30 2.406 10.851 4.251 1.00 0.00 O ATOM 227 CB ILE A 30 4.486 9.780 6.612 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.169 10.052 7.328 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.670 10.129 7.503 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.439 8.795 7.757 1.00 0.00 C ATOM 0 H ILE A 30 3.955 12.270 6.370 1.00 0.00 H new ATOM 0 HA ILE A 30 5.494 10.365 4.801 1.00 0.00 H new ATOM 0 HB ILE A 30 4.541 8.716 6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.363 10.667 8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.521 10.632 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.610 9.557 8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.598 9.886 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.651 11.194 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.511 9.067 8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.212 8.189 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.068 8.224 8.440 1.00 0.00 H new ATOM 242 N LEU A 31 3.536 8.966 3.783 1.00 0.00 N ATOM 243 CA LEU A 31 2.507 8.442 2.891 1.00 0.00 C ATOM 244 C LEU A 31 1.137 8.450 3.567 1.00 0.00 C ATOM 245 O LEU A 31 0.167 8.973 3.017 1.00 0.00 O ATOM 246 CB LEU A 31 2.863 7.022 2.446 1.00 0.00 C ATOM 247 CG LEU A 31 3.180 6.877 0.955 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.632 6.473 0.754 1.00 0.00 C ATOM 249 CD2 LEU A 31 2.249 5.865 0.306 1.00 0.00 C ATOM 0 H LEU A 31 4.350 8.360 3.890 1.00 0.00 H new ATOM 0 HA LEU A 31 2.460 9.089 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.724 6.681 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.033 6.360 2.693 1.00 0.00 H new ATOM 0 HG LEU A 31 3.023 7.843 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.838 6.375 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.284 7.235 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.816 5.519 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.490 5.776 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.372 4.896 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.217 6.197 0.417 1.00 0.00 H new ATOM 261 N GLY A 32 1.067 7.870 4.758 1.00 0.00 N ATOM 262 CA GLY A 32 -0.187 7.824 5.486 1.00 0.00 C ATOM 263 C GLY A 32 -0.791 6.433 5.533 1.00 0.00 C ATOM 264 O GLY A 32 -1.741 6.191 6.278 1.00 0.00 O ATOM 0 H GLY A 32 1.855 7.431 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.024 8.178 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.897 8.508 5.020 1.00 0.00 H new ATOM 268 N VAL A 33 -0.244 5.514 4.741 1.00 0.00 N ATOM 269 CA VAL A 33 -0.749 4.144 4.709 1.00 0.00 C ATOM 270 C VAL A 33 0.045 3.239 5.638 1.00 0.00 C ATOM 271 O VAL A 33 1.272 3.175 5.567 1.00 0.00 O ATOM 272 CB VAL A 33 -0.728 3.547 3.289 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.979 3.955 2.529 1.00 0.00 C ATOM 274 CG2 VAL A 33 0.527 3.967 2.539 1.00 0.00 C ATOM 0 H VAL A 33 0.543 5.691 4.117 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.784 4.196 5.048 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.714 2.460 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.952 3.527 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.860 3.590 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.023 5.042 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.516 3.532 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.558 5.054 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.407 3.617 3.078 1.00 0.00 H new ATOM 284 N VAL A 34 -0.671 2.539 6.508 1.00 0.00 N ATOM 285 CA VAL A 34 -0.050 1.629 7.459 1.00 0.00 C ATOM 286 C VAL A 34 -0.018 0.210 6.908 1.00 0.00 C ATOM 287 O VAL A 34 -1.017 -0.507 6.962 1.00 0.00 O ATOM 288 CB VAL A 34 -0.802 1.624 8.802 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.016 0.918 9.869 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.146 3.043 9.230 1.00 0.00 C ATOM 0 H VAL A 34 -1.688 2.585 6.574 1.00 0.00 H new ATOM 0 HA VAL A 34 0.968 1.982 7.622 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.735 1.076 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.532 0.925 10.811 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.201 -0.112 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.967 1.434 9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.677 3.017 10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.229 3.622 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.779 3.508 8.474 1.00 0.00 H new ATOM 300 N ILE A 35 1.133 -0.198 6.385 1.00 0.00 N ATOM 301 CA ILE A 35 1.260 -1.540 5.841 1.00 0.00 C ATOM 302 C ILE A 35 1.724 -2.524 6.910 1.00 0.00 C ATOM 303 O ILE A 35 2.615 -2.224 7.704 1.00 0.00 O ATOM 304 CB ILE A 35 2.219 -1.619 4.633 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.437 -0.703 4.796 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.479 -1.281 3.349 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.296 -1.017 5.998 1.00 0.00 C ATOM 0 H ILE A 35 1.977 0.372 6.327 1.00 0.00 H new ATOM 0 HA ILE A 35 0.263 -1.810 5.492 1.00 0.00 H new ATOM 0 HB ILE A 35 2.587 -2.644 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.051 -0.771 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.093 0.329 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.167 -1.341 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.663 -1.989 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.075 -0.271 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.135 -0.322 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.701 -0.919 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.673 -2.037 5.919 1.00 0.00 H new ATOM 319 N VAL A 36 1.114 -3.702 6.924 1.00 0.00 N ATOM 320 CA VAL A 36 1.464 -4.732 7.892 1.00 0.00 C ATOM 321 C VAL A 36 1.949 -5.992 7.189 1.00 0.00 C ATOM 322 O VAL A 36 1.703 -6.181 6.001 1.00 0.00 O ATOM 323 CB VAL A 36 0.276 -5.088 8.807 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.193 -4.117 9.975 1.00 0.00 C ATOM 325 CG2 VAL A 36 -1.027 -5.097 8.022 1.00 0.00 C ATOM 0 H VAL A 36 0.373 -3.968 6.275 1.00 0.00 H new ATOM 0 HA VAL A 36 2.265 -4.325 8.509 1.00 0.00 H new ATOM 0 HB VAL A 36 0.439 -6.090 9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.652 -4.384 10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.114 -4.167 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.057 -3.104 9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.851 -5.351 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.199 -4.111 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.965 -5.836 7.223 1.00 0.00 H new ATOM 335 N GLU A 37 2.645 -6.852 7.921 1.00 0.00 N ATOM 336 CA GLU A 37 3.162 -8.089 7.349 1.00 0.00 C ATOM 337 C GLU A 37 2.020 -8.992 6.888 1.00 0.00 C ATOM 338 O GLU A 37 1.194 -9.424 7.692 1.00 0.00 O ATOM 339 CB GLU A 37 4.030 -8.826 8.373 1.00 0.00 C ATOM 340 CG GLU A 37 5.258 -9.488 7.765 1.00 0.00 C ATOM 341 CD GLU A 37 6.430 -9.532 8.726 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.434 -8.747 9.698 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.345 -10.355 8.506 1.00 0.00 O ATOM 0 H GLU A 37 2.864 -6.717 8.908 1.00 0.00 H new ATOM 0 HA GLU A 37 3.773 -7.834 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.350 -8.121 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.426 -9.586 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.005 -10.503 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.550 -8.947 6.865 1.00 0.00 H new ATOM 350 N SER A 38 1.979 -9.271 5.587 1.00 0.00 N ATOM 351 CA SER A 38 0.935 -10.121 5.020 1.00 0.00 C ATOM 352 C SER A 38 0.926 -11.495 5.685 1.00 0.00 C ATOM 353 O SER A 38 1.979 -12.039 6.022 1.00 0.00 O ATOM 354 CB SER A 38 1.130 -10.261 3.507 1.00 0.00 C ATOM 355 OG SER A 38 1.505 -11.581 3.149 1.00 0.00 O ATOM 0 H SER A 38 2.655 -8.922 4.907 1.00 0.00 H new ATOM 0 HA SER A 38 -0.029 -9.649 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.206 -9.993 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.895 -9.561 3.172 1.00 0.00 H new ATOM 0 HG SER A 38 1.041 -11.841 2.326 1.00 0.00 H new ATOM 448 N PRO A 45 4.087 -12.450 0.175 1.00 0.00 N ATOM 449 CA PRO A 45 3.988 -11.663 1.408 1.00 0.00 C ATOM 450 C PRO A 45 5.011 -10.536 1.457 1.00 0.00 C ATOM 451 O PRO A 45 6.140 -10.690 0.993 1.00 0.00 O ATOM 452 CB PRO A 45 4.264 -12.683 2.519 1.00 0.00 C ATOM 453 CG PRO A 45 4.970 -13.809 1.846 1.00 0.00 C ATOM 454 CD PRO A 45 4.429 -13.858 0.446 1.00 0.00 C ATOM 0 HA PRO A 45 3.017 -11.175 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.877 -12.249 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.337 -13.020 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.048 -13.647 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.790 -14.749 2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.168 -14.237 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.556 -14.507 0.373 1.00 0.00 H new ATOM 462 N THR A 46 4.609 -9.402 2.021 1.00 0.00 N ATOM 463 CA THR A 46 5.499 -8.253 2.126 1.00 0.00 C ATOM 464 C THR A 46 4.899 -7.165 3.014 1.00 0.00 C ATOM 465 O THR A 46 5.446 -6.848 4.071 1.00 0.00 O ATOM 466 CB THR A 46 5.814 -7.688 0.735 1.00 0.00 C ATOM 467 OG1 THR A 46 6.256 -6.344 0.826 1.00 0.00 O ATOM 468 CG2 THR A 46 4.639 -7.719 -0.221 1.00 0.00 C ATOM 0 H THR A 46 3.678 -9.255 2.410 1.00 0.00 H new ATOM 0 HA THR A 46 6.426 -8.592 2.588 1.00 0.00 H new ATOM 0 HB THR A 46 6.593 -8.339 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.870 -5.822 0.092 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.941 -7.303 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.309 -8.749 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.821 -7.127 0.189 1.00 0.00 H new ATOM 476 N VAL A 47 3.784 -6.585 2.580 1.00 0.00 N ATOM 477 CA VAL A 47 3.135 -5.524 3.344 1.00 0.00 C ATOM 478 C VAL A 47 1.677 -5.339 2.928 1.00 0.00 C ATOM 479 O VAL A 47 1.335 -5.464 1.752 1.00 0.00 O ATOM 480 CB VAL A 47 3.885 -4.185 3.197 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.660 -3.883 4.470 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.816 -4.207 1.993 1.00 0.00 C ATOM 0 H VAL A 47 3.313 -6.830 1.709 1.00 0.00 H new ATOM 0 HA VAL A 47 3.163 -5.832 4.389 1.00 0.00 H new ATOM 0 HB VAL A 47 3.152 -3.395 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.187 -2.936 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.968 -3.817 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.380 -4.680 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.332 -3.250 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.549 -5.005 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.235 -4.382 1.087 1.00 0.00 H new ATOM 492 N ILE A 48 0.824 -5.038 3.905 1.00 0.00 N ATOM 493 CA ILE A 48 -0.598 -4.834 3.648 1.00 0.00 C ATOM 494 C ILE A 48 -1.074 -3.493 4.189 1.00 0.00 C ATOM 495 O ILE A 48 -1.058 -3.275 5.398 1.00 0.00 O ATOM 496 CB ILE A 48 -1.493 -5.922 4.295 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.705 -7.176 4.685 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.639 -6.280 3.367 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.922 -7.577 6.130 1.00 0.00 C ATOM 0 H ILE A 48 1.094 -4.930 4.883 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.695 -4.879 2.563 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.894 -5.502 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.998 -8.001 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.357 -7.000 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.260 -7.045 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.241 -5.392 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.240 -6.660 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.340 -8.471 6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.603 -6.766 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.980 -7.783 6.296 1.00 0.00 H new ATOM 511 N ILE A 49 -1.536 -2.621 3.298 1.00 0.00 N ATOM 512 CA ILE A 49 -2.063 -1.322 3.703 1.00 0.00 C ATOM 513 C ILE A 49 -3.286 -1.531 4.583 1.00 0.00 C ATOM 514 O ILE A 49 -4.417 -1.276 4.176 1.00 0.00 O ATOM 515 CB ILE A 49 -2.443 -0.469 2.480 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.217 -0.246 1.595 1.00 0.00 C ATOM 517 CG2 ILE A 49 -3.039 0.863 2.914 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.559 0.186 0.187 1.00 0.00 C ATOM 0 H ILE A 49 -1.556 -2.790 2.292 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.289 -0.791 4.257 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.198 -1.005 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.580 0.510 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.637 -1.168 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.300 1.449 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.934 0.684 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.310 1.411 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.641 0.326 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.170 -0.580 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.113 1.124 0.219 1.00 0.00 H new ATOM 530 N ALA A 50 -3.049 -2.020 5.795 1.00 0.00 N ATOM 531 CA ALA A 50 -4.124 -2.289 6.732 1.00 0.00 C ATOM 532 C ALA A 50 -5.015 -1.064 6.891 1.00 0.00 C ATOM 533 O ALA A 50 -6.242 -1.172 6.935 1.00 0.00 O ATOM 534 CB ALA A 50 -3.550 -2.723 8.072 1.00 0.00 C ATOM 0 H ALA A 50 -2.117 -2.238 6.149 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.738 -3.100 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.364 -2.923 8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.957 -3.628 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.917 -1.930 8.471 1.00 0.00 H new ATOM 540 N ASN A 51 -4.384 0.101 6.964 1.00 0.00 N ATOM 541 CA ASN A 51 -5.101 1.359 7.105 1.00 0.00 C ATOM 542 C ASN A 51 -4.477 2.432 6.226 1.00 0.00 C ATOM 543 O ASN A 51 -3.628 2.144 5.383 1.00 0.00 O ATOM 544 CB ASN A 51 -5.101 1.811 8.567 1.00 0.00 C ATOM 545 CG ASN A 51 -6.418 1.526 9.250 1.00 0.00 C ATOM 546 OD1 ASN A 51 -7.104 2.439 9.709 1.00 0.00 O ATOM 547 ND2 ASN A 51 -6.777 0.254 9.320 1.00 0.00 N ATOM 0 H ASN A 51 -3.369 0.199 6.927 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.131 1.204 6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.298 1.304 9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.892 2.880 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.656 -0.004 9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.175 -0.468 8.925 1.00 0.00 H new ATOM 554 N MET A 52 -4.911 3.668 6.422 1.00 0.00 N ATOM 555 CA MET A 52 -4.404 4.782 5.637 1.00 0.00 C ATOM 556 C MET A 52 -4.838 6.116 6.239 1.00 0.00 C ATOM 557 O MET A 52 -5.768 6.169 7.045 1.00 0.00 O ATOM 558 CB MET A 52 -4.896 4.651 4.196 1.00 0.00 C ATOM 559 CG MET A 52 -6.347 5.073 4.003 1.00 0.00 C ATOM 560 SD MET A 52 -6.805 5.234 2.268 1.00 0.00 S ATOM 561 CE MET A 52 -5.967 3.817 1.571 1.00 0.00 C ATOM 0 H MET A 52 -5.612 3.924 7.117 1.00 0.00 H new ATOM 0 HA MET A 52 -3.314 4.757 5.647 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.262 5.256 3.549 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.782 3.615 3.875 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.999 4.341 4.479 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.514 6.025 4.507 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.440 3.542 0.628 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.920 4.064 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.029 2.979 2.266 1.00 0.00 H new ATOM 571 N MET A 53 -4.163 7.188 5.845 1.00 0.00 N ATOM 572 CA MET A 53 -4.484 8.519 6.349 1.00 0.00 C ATOM 573 C MET A 53 -5.549 9.184 5.483 1.00 0.00 C ATOM 574 O MET A 53 -5.330 9.438 4.299 1.00 0.00 O ATOM 575 CB MET A 53 -3.225 9.387 6.392 1.00 0.00 C ATOM 576 CG MET A 53 -3.140 10.275 7.624 1.00 0.00 C ATOM 577 SD MET A 53 -2.917 9.332 9.144 1.00 0.00 S ATOM 578 CE MET A 53 -1.316 8.586 8.847 1.00 0.00 C ATOM 0 H MET A 53 -3.391 7.163 5.179 1.00 0.00 H new ATOM 0 HA MET A 53 -4.878 8.415 7.360 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.347 8.741 6.358 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.195 10.013 5.500 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.310 10.972 7.508 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.049 10.871 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.840 8.355 9.800 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.443 7.668 8.273 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.689 9.280 8.287 1.00 0.00 H new ATOM 588 N HIS A 54 -6.702 9.464 6.084 1.00 0.00 N ATOM 589 CA HIS A 54 -7.803 10.101 5.369 1.00 0.00 C ATOM 590 C HIS A 54 -7.352 11.412 4.731 1.00 0.00 C ATOM 591 O HIS A 54 -7.199 12.426 5.413 1.00 0.00 O ATOM 592 CB HIS A 54 -8.974 10.357 6.321 1.00 0.00 C ATOM 593 CG HIS A 54 -10.059 9.331 6.219 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.148 9.467 5.385 1.00 0.00 N ATOM 595 CD2 HIS A 54 -10.220 8.147 6.855 1.00 0.00 C ATOM 596 CE1 HIS A 54 -11.933 8.411 5.511 1.00 0.00 C ATOM 597 NE2 HIS A 54 -11.391 7.595 6.397 1.00 0.00 N ATOM 0 H HIS A 54 -6.898 9.260 7.064 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.129 9.427 4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.601 10.380 7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.394 11.341 6.112 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.552 7.717 7.586 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.859 8.244 4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.779 6.700 6.693 1.00 0.00 H new ATOM 606 N GLY A 55 -7.137 11.383 3.421 1.00 0.00 N ATOM 607 CA GLY A 55 -6.703 12.572 2.714 1.00 0.00 C ATOM 608 C GLY A 55 -5.191 12.671 2.605 1.00 0.00 C ATOM 609 O GLY A 55 -4.670 13.578 1.955 1.00 0.00 O ATOM 0 H GLY A 55 -7.256 10.556 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.136 12.573 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.085 13.455 3.227 1.00 0.00 H new ATOM 613 N GLY A 56 -4.485 11.738 3.238 1.00 0.00 N ATOM 614 CA GLY A 56 -3.034 11.748 3.194 1.00 0.00 C ATOM 615 C GLY A 56 -2.493 11.422 1.815 1.00 0.00 C ATOM 616 O GLY A 56 -3.250 11.043 0.922 1.00 0.00 O ATOM 0 H GLY A 56 -4.892 10.976 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.671 12.729 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.647 11.026 3.913 1.00 0.00 H new ATOM 620 N PRO A 57 -1.173 11.563 1.609 1.00 0.00 N ATOM 621 CA PRO A 57 -0.533 11.281 0.318 1.00 0.00 C ATOM 622 C PRO A 57 -0.938 9.931 -0.265 1.00 0.00 C ATOM 623 O PRO A 57 -1.234 9.824 -1.456 1.00 0.00 O ATOM 624 CB PRO A 57 0.956 11.288 0.661 1.00 0.00 C ATOM 625 CG PRO A 57 1.063 12.214 1.820 1.00 0.00 C ATOM 626 CD PRO A 57 -0.196 12.014 2.620 1.00 0.00 C ATOM 0 HA PRO A 57 -0.821 12.007 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.310 10.289 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.556 11.633 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.946 11.991 2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.155 13.248 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.059 11.272 3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.515 12.937 3.105 1.00 0.00 H new ATOM 634 N ALA A 58 -0.941 8.900 0.575 1.00 0.00 N ATOM 635 CA ALA A 58 -1.299 7.560 0.134 1.00 0.00 C ATOM 636 C ALA A 58 -2.697 7.530 -0.468 1.00 0.00 C ATOM 637 O ALA A 58 -2.901 7.008 -1.564 1.00 0.00 O ATOM 638 CB ALA A 58 -1.216 6.587 1.297 1.00 0.00 C ATOM 0 H ALA A 58 -0.699 8.969 1.564 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.590 7.261 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.486 5.588 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.199 6.574 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.904 6.900 2.083 1.00 0.00 H new ATOM 644 N GLU A 59 -3.656 8.093 0.253 1.00 0.00 N ATOM 645 CA GLU A 59 -5.032 8.131 -0.208 1.00 0.00 C ATOM 646 C GLU A 59 -5.211 9.181 -1.294 1.00 0.00 C ATOM 647 O GLU A 59 -6.047 9.038 -2.186 1.00 0.00 O ATOM 648 CB GLU A 59 -5.965 8.415 0.965 1.00 0.00 C ATOM 649 CG GLU A 59 -7.426 8.481 0.572 1.00 0.00 C ATOM 650 CD GLU A 59 -7.950 7.163 0.037 1.00 0.00 C ATOM 651 OE1 GLU A 59 -7.422 6.686 -0.989 1.00 0.00 O ATOM 652 OE2 GLU A 59 -8.889 6.608 0.646 1.00 0.00 O ATOM 0 H GLU A 59 -3.503 8.530 1.162 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.282 7.159 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.834 7.639 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.678 9.360 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.018 8.777 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.560 9.254 -0.185 1.00 0.00 H new ATOM 659 N LYS A 60 -4.413 10.235 -1.207 1.00 0.00 N ATOM 660 CA LYS A 60 -4.464 11.324 -2.176 1.00 0.00 C ATOM 661 C LYS A 60 -4.327 10.789 -3.597 1.00 0.00 C ATOM 662 O LYS A 60 -5.113 11.134 -4.479 1.00 0.00 O ATOM 663 CB LYS A 60 -3.355 12.339 -1.890 1.00 0.00 C ATOM 664 CG LYS A 60 -3.793 13.480 -0.987 1.00 0.00 C ATOM 665 CD LYS A 60 -3.076 14.775 -1.337 1.00 0.00 C ATOM 666 CE LYS A 60 -1.824 14.963 -0.495 1.00 0.00 C ATOM 667 NZ LYS A 60 -0.592 14.579 -1.238 1.00 0.00 N ATOM 0 H LYS A 60 -3.718 10.361 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.431 11.818 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.513 11.824 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.998 12.750 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.870 13.623 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.591 13.221 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.808 14.770 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.749 15.618 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.750 16.005 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.903 14.363 0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.182 14.410 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.772 13.712 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.324 15.347 -1.887 1.00 0.00 H new ATOM 681 N SER A 61 -3.328 9.938 -3.808 1.00 0.00 N ATOM 682 CA SER A 61 -3.095 9.345 -5.117 1.00 0.00 C ATOM 683 C SER A 61 -4.347 8.630 -5.611 1.00 0.00 C ATOM 684 O SER A 61 -4.730 8.756 -6.772 1.00 0.00 O ATOM 685 CB SER A 61 -1.923 8.367 -5.053 1.00 0.00 C ATOM 686 OG SER A 61 -1.273 8.264 -6.308 1.00 0.00 O ATOM 0 H SER A 61 -2.668 9.645 -3.088 1.00 0.00 H new ATOM 0 HA SER A 61 -2.851 10.143 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.210 8.698 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.282 7.385 -4.744 1.00 0.00 H new ATOM 0 HG SER A 61 -0.401 8.709 -6.262 1.00 0.00 H new ATOM 692 N GLY A 62 -4.983 7.882 -4.714 1.00 0.00 N ATOM 693 CA GLY A 62 -6.186 7.158 -5.075 1.00 0.00 C ATOM 694 C GLY A 62 -5.889 5.770 -5.609 1.00 0.00 C ATOM 695 O GLY A 62 -6.803 4.980 -5.847 1.00 0.00 O ATOM 0 H GLY A 62 -4.686 7.765 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.834 7.077 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.735 7.724 -5.828 1.00 0.00 H new ATOM 699 N LYS A 63 -4.607 5.470 -5.796 1.00 0.00 N ATOM 700 CA LYS A 63 -4.192 4.172 -6.303 1.00 0.00 C ATOM 701 C LYS A 63 -4.013 3.180 -5.160 1.00 0.00 C ATOM 702 O LYS A 63 -4.288 1.988 -5.307 1.00 0.00 O ATOM 703 CB LYS A 63 -2.886 4.297 -7.087 1.00 0.00 C ATOM 704 CG LYS A 63 -3.008 5.158 -8.331 1.00 0.00 C ATOM 705 CD LYS A 63 -2.641 6.605 -8.052 1.00 0.00 C ATOM 706 CE LYS A 63 -3.488 7.554 -8.881 1.00 0.00 C ATOM 707 NZ LYS A 63 -3.048 8.969 -8.731 1.00 0.00 N ATOM 0 H LYS A 63 -3.838 6.112 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.973 3.804 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.120 4.719 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.547 3.302 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.359 4.762 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.029 5.108 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.779 6.821 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.586 6.765 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.433 7.266 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.532 7.465 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.341 9.514 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.483 9.379 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.012 9.003 -8.641 1.00 0.00 H new ATOM 721 N LEU A 64 -3.543 3.679 -4.021 1.00 0.00 N ATOM 722 CA LEU A 64 -3.322 2.837 -2.854 1.00 0.00 C ATOM 723 C LEU A 64 -4.561 2.789 -1.968 1.00 0.00 C ATOM 724 O LEU A 64 -4.925 3.780 -1.336 1.00 0.00 O ATOM 725 CB LEU A 64 -2.127 3.345 -2.042 1.00 0.00 C ATOM 726 CG LEU A 64 -0.764 2.775 -2.449 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.313 3.240 -1.483 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.808 1.253 -2.508 1.00 0.00 C ATOM 0 H LEU A 64 -3.308 4.662 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.110 1.829 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.087 4.431 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.299 3.113 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.522 3.146 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.276 2.827 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.366 4.329 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.071 2.898 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.171 0.872 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.074 0.858 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.552 0.939 -3.240 1.00 0.00 H new ATOM 740 N ASN A 65 -5.195 1.624 -1.921 1.00 0.00 N ATOM 741 CA ASN A 65 -6.388 1.429 -1.107 1.00 0.00 C ATOM 742 C ASN A 65 -6.152 0.326 -0.084 1.00 0.00 C ATOM 743 O ASN A 65 -5.505 -0.678 -0.388 1.00 0.00 O ATOM 744 CB ASN A 65 -7.587 1.077 -1.990 1.00 0.00 C ATOM 745 CG ASN A 65 -7.254 0.014 -3.018 1.00 0.00 C ATOM 746 OD1 ASN A 65 -6.515 0.400 -4.050 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -7.660 -1.142 -2.887 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.901 0.796 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.603 2.359 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.407 0.728 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.936 1.975 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.226 -1.395 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.430 -1.846 -3.589 1.00 0.00 H new ATOM 754 N ILE A 66 -6.667 0.519 1.130 1.00 0.00 N ATOM 755 CA ILE A 66 -6.507 -0.456 2.200 1.00 0.00 C ATOM 756 C ILE A 66 -6.598 -1.888 1.669 1.00 0.00 C ATOM 757 O ILE A 66 -7.558 -2.248 0.987 1.00 0.00 O ATOM 758 CB ILE A 66 -7.555 -0.234 3.306 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.146 0.963 4.160 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.708 -1.479 4.171 1.00 0.00 C ATOM 761 CD1 ILE A 66 -8.036 1.178 5.357 1.00 0.00 C ATOM 0 H ILE A 66 -7.201 1.347 1.394 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.513 -0.313 2.625 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.520 -0.033 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.120 0.823 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.157 1.861 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.454 -1.295 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.027 -2.316 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.752 -1.717 4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.687 2.045 5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.059 1.349 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.006 0.296 5.996 1.00 0.00 H new ATOM 773 N GLY A 67 -5.582 -2.687 1.971 1.00 0.00 N ATOM 774 CA GLY A 67 -5.551 -4.059 1.503 1.00 0.00 C ATOM 775 C GLY A 67 -4.605 -4.238 0.330 1.00 0.00 C ATOM 776 O GLY A 67 -4.343 -5.360 -0.103 1.00 0.00 O ATOM 0 H GLY A 67 -4.778 -2.408 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.245 -4.714 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.555 -4.365 1.209 1.00 0.00 H new ATOM 780 N ASP A 68 -4.088 -3.121 -0.181 1.00 0.00 N ATOM 781 CA ASP A 68 -3.162 -3.141 -1.304 1.00 0.00 C ATOM 782 C ASP A 68 -1.823 -3.737 -0.891 1.00 0.00 C ATOM 783 O ASP A 68 -1.062 -3.123 -0.143 1.00 0.00 O ATOM 784 CB ASP A 68 -2.971 -1.724 -1.844 1.00 0.00 C ATOM 785 CG ASP A 68 -3.803 -1.465 -3.084 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.173 -2.443 -3.767 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.082 -0.282 -3.375 1.00 0.00 O ATOM 0 H ASP A 68 -4.299 -2.187 0.170 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.582 -3.768 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.240 -1.004 -1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.918 -1.565 -2.076 1.00 0.00 H new ATOM 792 N GLN A 69 -1.539 -4.939 -1.382 1.00 0.00 N ATOM 793 CA GLN A 69 -0.290 -5.612 -1.059 1.00 0.00 C ATOM 794 C GLN A 69 0.874 -4.920 -1.759 1.00 0.00 C ATOM 795 O GLN A 69 1.281 -5.316 -2.852 1.00 0.00 O ATOM 796 CB GLN A 69 -0.352 -7.086 -1.466 1.00 0.00 C ATOM 797 CG GLN A 69 0.414 -8.009 -0.534 1.00 0.00 C ATOM 798 CD GLN A 69 -0.014 -7.862 0.912 1.00 0.00 C ATOM 799 OE1 GLN A 69 -1.187 -7.631 1.204 1.00 0.00 O ATOM 800 NE2 GLN A 69 0.939 -7.996 1.825 1.00 0.00 N ATOM 0 H GLN A 69 -2.155 -5.464 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.136 -5.559 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.395 -7.401 -1.499 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.045 -7.192 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.267 -9.042 -0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.480 -7.799 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.898 -8.187 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.712 -7.908 2.816 1.00 0.00 H new ATOM 809 N ILE A 70 1.398 -3.876 -1.125 1.00 0.00 N ATOM 810 CA ILE A 70 2.511 -3.122 -1.690 1.00 0.00 C ATOM 811 C ILE A 70 3.715 -4.029 -1.920 1.00 0.00 C ATOM 812 O ILE A 70 4.016 -4.896 -1.100 1.00 0.00 O ATOM 813 CB ILE A 70 2.912 -1.947 -0.774 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.653 -1.219 -0.270 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.844 -0.991 -1.512 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.920 0.179 0.252 1.00 0.00 C ATOM 0 H ILE A 70 1.071 -3.534 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 70 2.181 -2.718 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 70 3.450 -2.337 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.929 -1.161 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.196 -1.811 0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.118 -0.168 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.744 -1.524 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.338 -0.597 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.985 0.626 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.619 0.128 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.348 0.789 -0.543 1.00 0.00 H new ATOM 828 N MET A 71 4.391 -3.844 -3.053 1.00 0.00 N ATOM 829 CA MET A 71 5.545 -4.670 -3.394 1.00 0.00 C ATOM 830 C MET A 71 6.867 -3.924 -3.221 1.00 0.00 C ATOM 831 O MET A 71 7.861 -4.508 -2.788 1.00 0.00 O ATOM 832 CB MET A 71 5.422 -5.174 -4.833 1.00 0.00 C ATOM 833 CG MET A 71 5.968 -6.578 -5.035 1.00 0.00 C ATOM 834 SD MET A 71 4.800 -7.669 -5.868 1.00 0.00 S ATOM 835 CE MET A 71 3.591 -7.926 -4.572 1.00 0.00 C ATOM 0 H MET A 71 4.160 -3.133 -3.747 1.00 0.00 H new ATOM 0 HA MET A 71 5.552 -5.513 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.373 -5.156 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.951 -4.489 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.888 -6.525 -5.618 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.229 -7.004 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.801 -8.583 -4.936 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.075 -8.383 -3.709 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.160 -6.968 -4.281 1.00 0.00 H new ATOM 845 N SER A 72 6.889 -2.640 -3.569 1.00 0.00 N ATOM 846 CA SER A 72 8.113 -1.851 -3.453 1.00 0.00 C ATOM 847 C SER A 72 7.809 -0.360 -3.413 1.00 0.00 C ATOM 848 O SER A 72 6.756 0.078 -3.869 1.00 0.00 O ATOM 849 CB SER A 72 9.050 -2.157 -4.622 1.00 0.00 C ATOM 850 OG SER A 72 8.580 -1.560 -5.820 1.00 0.00 O ATOM 0 H SER A 72 6.084 -2.128 -3.930 1.00 0.00 H new ATOM 0 HA SER A 72 8.599 -2.125 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.051 -1.789 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.130 -3.236 -4.756 1.00 0.00 H new ATOM 0 HG SER A 72 9.196 -1.768 -6.553 1.00 0.00 H new ATOM 856 N ILE A 73 8.739 0.416 -2.863 1.00 0.00 N ATOM 857 CA ILE A 73 8.568 1.860 -2.760 1.00 0.00 C ATOM 858 C ILE A 73 9.697 2.614 -3.461 1.00 0.00 C ATOM 859 O ILE A 73 10.874 2.377 -3.195 1.00 0.00 O ATOM 860 CB ILE A 73 8.487 2.305 -1.295 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.404 1.512 -0.571 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.206 3.796 -1.207 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.747 1.214 0.864 1.00 0.00 C ATOM 0 H ILE A 73 9.619 0.068 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 73 7.629 2.102 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 73 9.445 2.111 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.469 2.071 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.235 0.574 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.152 4.095 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.007 4.347 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.258 4.017 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.936 0.648 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.666 0.629 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.888 2.149 1.406 1.00 0.00 H new ATOM 875 N ASN A 74 9.317 3.523 -4.360 1.00 0.00 N ATOM 876 CA ASN A 74 10.271 4.334 -5.126 1.00 0.00 C ATOM 877 C ASN A 74 11.528 3.548 -5.498 1.00 0.00 C ATOM 878 O ASN A 74 12.625 4.104 -5.548 1.00 0.00 O ATOM 879 CB ASN A 74 10.658 5.600 -4.362 1.00 0.00 C ATOM 880 CG ASN A 74 10.895 5.348 -2.891 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.123 6.018 -2.050 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 11.765 4.563 -2.514 1.00 0.00 N flip ATOM 0 H ASN A 74 8.340 3.719 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 74 9.766 4.617 -6.050 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.560 6.023 -4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.869 6.343 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.337 4.068 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.914 4.407 -1.517 1.00 0.00 H new ATOM 889 N GLY A 75 11.362 2.257 -5.766 1.00 0.00 N ATOM 890 CA GLY A 75 12.493 1.427 -6.138 1.00 0.00 C ATOM 891 C GLY A 75 13.052 0.637 -4.970 1.00 0.00 C ATOM 892 O GLY A 75 14.231 0.281 -4.962 1.00 0.00 O ATOM 0 H GLY A 75 10.466 1.771 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.188 0.737 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.279 2.057 -6.554 1.00 0.00 H new ATOM 896 N THR A 76 12.208 0.361 -3.984 1.00 0.00 N ATOM 897 CA THR A 76 12.624 -0.396 -2.809 1.00 0.00 C ATOM 898 C THR A 76 11.742 -1.622 -2.618 1.00 0.00 C ATOM 899 O THR A 76 10.665 -1.539 -2.028 1.00 0.00 O ATOM 900 CB THR A 76 12.567 0.486 -1.565 1.00 0.00 C ATOM 901 OG1 THR A 76 13.263 1.701 -1.776 1.00 0.00 O ATOM 902 CG2 THR A 76 13.154 -0.171 -0.334 1.00 0.00 C ATOM 0 H THR A 76 11.230 0.650 -3.974 1.00 0.00 H new ATOM 0 HA THR A 76 13.651 -0.728 -2.963 1.00 0.00 H new ATOM 0 HB THR A 76 11.506 0.664 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.765 2.257 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.081 0.512 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.603 -1.085 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.201 -0.413 -0.515 1.00 0.00 H new ATOM 910 N SER A 77 12.202 -2.760 -3.128 1.00 0.00 N ATOM 911 CA SER A 77 11.450 -4.005 -3.022 1.00 0.00 C ATOM 912 C SER A 77 11.230 -4.389 -1.564 1.00 0.00 C ATOM 913 O SER A 77 12.184 -4.577 -0.809 1.00 0.00 O ATOM 914 CB SER A 77 12.182 -5.131 -3.753 1.00 0.00 C ATOM 915 OG SER A 77 12.641 -4.702 -5.024 1.00 0.00 O ATOM 0 H SER A 77 13.092 -2.846 -3.619 1.00 0.00 H new ATOM 0 HA SER A 77 10.476 -3.851 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.027 -5.469 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.515 -5.985 -3.873 1.00 0.00 H new ATOM 0 HG SER A 77 13.107 -5.440 -5.470 1.00 0.00 H new ATOM 921 N LEU A 78 9.964 -4.505 -1.177 1.00 0.00 N ATOM 922 CA LEU A 78 9.612 -4.871 0.190 1.00 0.00 C ATOM 923 C LEU A 78 9.466 -6.385 0.341 1.00 0.00 C ATOM 924 O LEU A 78 9.378 -6.899 1.456 1.00 0.00 O ATOM 925 CB LEU A 78 8.313 -4.177 0.602 1.00 0.00 C ATOM 926 CG LEU A 78 8.422 -2.665 0.799 1.00 0.00 C ATOM 927 CD1 LEU A 78 7.118 -2.101 1.339 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.573 -2.330 1.735 1.00 0.00 C ATOM 0 H LEU A 78 9.164 -4.351 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 78 10.420 -4.543 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.556 -4.376 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.958 -4.624 1.531 1.00 0.00 H new ATOM 0 HG LEU A 78 8.621 -2.207 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.215 -1.024 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.313 -2.308 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.890 -2.566 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.635 -1.249 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.404 -2.801 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.507 -2.699 1.310 1.00 0.00 H new ATOM 940 N VAL A 79 9.445 -7.095 -0.785 1.00 0.00 N ATOM 941 CA VAL A 79 9.312 -8.548 -0.771 1.00 0.00 C ATOM 942 C VAL A 79 10.403 -9.195 0.075 1.00 0.00 C ATOM 943 O VAL A 79 11.565 -9.247 -0.329 1.00 0.00 O ATOM 944 CB VAL A 79 9.370 -9.130 -2.196 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.043 -10.616 -2.182 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.424 -8.377 -3.120 1.00 0.00 C ATOM 0 H VAL A 79 9.518 -6.687 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 79 8.339 -8.771 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 79 10.385 -9.009 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.089 -11.008 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.765 -11.142 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.040 -10.764 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.479 -8.802 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.404 -8.463 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.710 -7.326 -3.156 1.00 0.00 H new ATOM 956 N GLY A 80 10.022 -9.690 1.248 1.00 0.00 N ATOM 957 CA GLY A 80 10.981 -10.330 2.128 1.00 0.00 C ATOM 958 C GLY A 80 11.432 -9.428 3.261 1.00 0.00 C ATOM 959 O GLY A 80 11.830 -9.907 4.321 1.00 0.00 O ATOM 0 H GLY A 80 9.067 -9.659 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.538 -11.235 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.850 -10.639 1.547 1.00 0.00 H new ATOM 963 N LEU A 81 11.373 -8.118 3.038 1.00 0.00 N ATOM 964 CA LEU A 81 11.783 -7.155 4.055 1.00 0.00 C ATOM 965 C LEU A 81 10.817 -7.168 5.238 1.00 0.00 C ATOM 966 O LEU A 81 9.607 -7.035 5.059 1.00 0.00 O ATOM 967 CB LEU A 81 11.856 -5.744 3.462 1.00 0.00 C ATOM 968 CG LEU A 81 12.484 -5.642 2.068 1.00 0.00 C ATOM 969 CD1 LEU A 81 12.928 -4.213 1.791 1.00 0.00 C ATOM 970 CD2 LEU A 81 13.661 -6.600 1.932 1.00 0.00 C ATOM 0 H LEU A 81 11.047 -7.701 2.166 1.00 0.00 H new ATOM 0 HA LEU A 81 12.773 -7.444 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.846 -5.336 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.425 -5.112 4.144 1.00 0.00 H new ATOM 0 HG LEU A 81 11.730 -5.923 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.372 -4.156 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.066 -3.548 1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.664 -3.910 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.090 -6.510 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.418 -6.354 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.318 -7.623 2.088 1.00 0.00 H new ATOM 982 N PRO A 82 11.337 -7.325 6.469 1.00 0.00 N ATOM 983 CA PRO A 82 10.504 -7.348 7.675 1.00 0.00 C ATOM 984 C PRO A 82 9.604 -6.122 7.771 1.00 0.00 C ATOM 985 O PRO A 82 9.814 -5.130 7.074 1.00 0.00 O ATOM 986 CB PRO A 82 11.522 -7.353 8.817 1.00 0.00 C ATOM 987 CG PRO A 82 12.762 -7.925 8.223 1.00 0.00 C ATOM 988 CD PRO A 82 12.769 -7.487 6.785 1.00 0.00 C ATOM 0 HA PRO A 82 9.830 -8.204 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.694 -6.346 9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.172 -7.955 9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.648 -7.564 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.767 -9.012 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.318 -6.555 6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.241 -8.229 6.141 1.00 0.00 H new ATOM 996 N LEU A 83 8.600 -6.196 8.638 1.00 0.00 N ATOM 997 CA LEU A 83 7.671 -5.089 8.821 1.00 0.00 C ATOM 998 C LEU A 83 8.404 -3.837 9.286 1.00 0.00 C ATOM 999 O LEU A 83 8.157 -2.740 8.787 1.00 0.00 O ATOM 1000 CB LEU A 83 6.589 -5.464 9.834 1.00 0.00 C ATOM 1001 CG LEU A 83 5.410 -4.492 9.917 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.173 -5.206 10.435 1.00 0.00 C ATOM 1003 CD2 LEU A 83 5.754 -3.309 10.808 1.00 0.00 C ATOM 0 H LEU A 83 8.410 -7.009 9.223 1.00 0.00 H new ATOM 0 HA LEU A 83 7.202 -4.880 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.207 -6.454 9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.047 -5.539 10.820 1.00 0.00 H new ATOM 0 HG LEU A 83 5.201 -4.117 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.342 -4.502 10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.914 -6.022 9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.374 -5.607 11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.903 -2.629 10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.989 -3.665 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.617 -2.783 10.398 1.00 0.00 H new ATOM 1015 N SER A 84 9.307 -4.008 10.249 1.00 0.00 N ATOM 1016 CA SER A 84 10.074 -2.889 10.784 1.00 0.00 C ATOM 1017 C SER A 84 10.768 -2.122 9.664 1.00 0.00 C ATOM 1018 O SER A 84 10.927 -0.903 9.736 1.00 0.00 O ATOM 1019 CB SER A 84 11.108 -3.388 11.795 1.00 0.00 C ATOM 1020 OG SER A 84 10.486 -4.109 12.844 1.00 0.00 O ATOM 0 H SER A 84 9.524 -4.910 10.673 1.00 0.00 H new ATOM 0 HA SER A 84 9.382 -2.214 11.288 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.835 -4.026 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.657 -2.541 12.207 1.00 0.00 H new ATOM 0 HG SER A 84 11.167 -4.419 13.477 1.00 0.00 H new ATOM 1026 N THR A 85 11.173 -2.845 8.624 1.00 0.00 N ATOM 1027 CA THR A 85 11.842 -2.233 7.488 1.00 0.00 C ATOM 1028 C THR A 85 10.854 -1.435 6.645 1.00 0.00 C ATOM 1029 O THR A 85 11.120 -0.292 6.279 1.00 0.00 O ATOM 1030 CB THR A 85 12.514 -3.302 6.631 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.106 -4.298 7.446 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.593 -2.752 5.722 1.00 0.00 C ATOM 0 H THR A 85 11.048 -3.854 8.547 1.00 0.00 H new ATOM 0 HA THR A 85 12.603 -1.551 7.868 1.00 0.00 H new ATOM 0 HB THR A 85 11.719 -3.718 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.032 -4.447 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.029 -3.565 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.159 -2.016 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.369 -2.279 6.323 1.00 0.00 H new ATOM 1040 N CYS A 86 9.709 -2.043 6.346 1.00 0.00 N ATOM 1041 CA CYS A 86 8.680 -1.385 5.546 1.00 0.00 C ATOM 1042 C CYS A 86 8.255 -0.069 6.183 1.00 0.00 C ATOM 1043 O CYS A 86 8.233 0.967 5.522 1.00 0.00 O ATOM 1044 CB CYS A 86 7.472 -2.307 5.378 1.00 0.00 C ATOM 1045 SG CYS A 86 7.834 -3.827 4.469 1.00 0.00 S ATOM 0 H CYS A 86 9.471 -2.989 6.645 1.00 0.00 H new ATOM 0 HA CYS A 86 9.098 -1.168 4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.086 -2.567 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.682 -1.764 4.859 1.00 0.00 H new ATOM 0 HG CYS A 86 8.582 -4.601 5.198 1.00 0.00 H new ATOM 1051 N GLN A 87 7.938 -0.107 7.474 1.00 0.00 N ATOM 1052 CA GLN A 87 7.536 1.101 8.185 1.00 0.00 C ATOM 1053 C GLN A 87 8.627 2.156 8.075 1.00 0.00 C ATOM 1054 O GLN A 87 8.379 3.289 7.661 1.00 0.00 O ATOM 1055 CB GLN A 87 7.258 0.802 9.663 1.00 0.00 C ATOM 1056 CG GLN A 87 6.373 -0.411 9.896 1.00 0.00 C ATOM 1057 CD GLN A 87 4.898 -0.070 9.897 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.399 0.385 8.756 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 4.215 -0.214 10.911 1.00 0.00 N flip ATOM 0 H GLN A 87 7.951 -0.953 8.044 1.00 0.00 H new ATOM 0 HA GLN A 87 6.619 1.474 7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.207 0.649 10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.787 1.674 10.116 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.569 -1.152 9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.636 -0.869 10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.642 -0.568 11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.222 0.020 10.895 1.00 0.00 H new ATOM 1068 N SER A 88 9.840 1.761 8.444 1.00 0.00 N ATOM 1069 CA SER A 88 10.991 2.652 8.392 1.00 0.00 C ATOM 1070 C SER A 88 11.122 3.307 7.020 1.00 0.00 C ATOM 1071 O SER A 88 11.441 4.491 6.916 1.00 0.00 O ATOM 1072 CB SER A 88 12.270 1.886 8.733 1.00 0.00 C ATOM 1073 OG SER A 88 12.798 1.236 7.588 1.00 0.00 O ATOM 0 H SER A 88 10.052 0.823 8.784 1.00 0.00 H new ATOM 0 HA SER A 88 10.839 3.440 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.012 2.574 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.060 1.149 9.509 1.00 0.00 H new ATOM 0 HG SER A 88 12.184 0.528 7.301 1.00 0.00 H new ATOM 1079 N ILE A 89 10.864 2.535 5.966 1.00 0.00 N ATOM 1080 CA ILE A 89 10.943 3.046 4.612 1.00 0.00 C ATOM 1081 C ILE A 89 9.941 4.172 4.430 1.00 0.00 C ATOM 1082 O ILE A 89 10.250 5.198 3.829 1.00 0.00 O ATOM 1083 CB ILE A 89 10.681 1.927 3.578 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.860 0.947 3.572 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.454 2.511 2.189 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.838 -0.051 2.431 1.00 0.00 C ATOM 0 H ILE A 89 10.599 1.552 6.031 1.00 0.00 H new ATOM 0 HA ILE A 89 11.950 3.428 4.446 1.00 0.00 H new ATOM 0 HB ILE A 89 9.775 1.390 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.789 1.515 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.868 0.402 4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.272 1.703 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.591 3.176 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.337 3.072 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.707 -0.705 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.928 -0.649 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.863 0.482 1.481 1.00 0.00 H new ATOM 1098 N ILE A 90 8.745 3.980 4.976 1.00 0.00 N ATOM 1099 CA ILE A 90 7.701 4.987 4.892 1.00 0.00 C ATOM 1100 C ILE A 90 8.157 6.279 5.556 1.00 0.00 C ATOM 1101 O ILE A 90 7.832 7.375 5.101 1.00 0.00 O ATOM 1102 CB ILE A 90 6.400 4.514 5.560 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.052 3.104 5.073 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.273 5.496 5.268 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.615 2.698 5.324 1.00 0.00 C ATOM 0 H ILE A 90 8.477 3.135 5.481 1.00 0.00 H new ATOM 0 HA ILE A 90 7.505 5.160 3.834 1.00 0.00 H new ATOM 0 HB ILE A 90 6.538 4.477 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.254 3.041 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.711 2.389 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.356 5.151 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.537 6.479 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.118 5.562 4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.452 1.687 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.411 2.726 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.947 3.388 4.809 1.00 0.00 H new ATOM 1117 N LYS A 91 8.923 6.141 6.634 1.00 0.00 N ATOM 1118 CA LYS A 91 9.434 7.296 7.357 1.00 0.00 C ATOM 1119 C LYS A 91 10.597 7.929 6.600 1.00 0.00 C ATOM 1120 O LYS A 91 10.774 9.147 6.615 1.00 0.00 O ATOM 1121 CB LYS A 91 9.889 6.898 8.759 1.00 0.00 C ATOM 1122 CG LYS A 91 8.830 7.134 9.825 1.00 0.00 C ATOM 1123 CD LYS A 91 7.969 5.902 10.035 1.00 0.00 C ATOM 1124 CE LYS A 91 8.815 4.699 10.403 1.00 0.00 C ATOM 1125 NZ LYS A 91 8.107 3.782 11.337 1.00 0.00 N ATOM 0 H LYS A 91 9.202 5.241 7.024 1.00 0.00 H new ATOM 0 HA LYS A 91 8.627 8.023 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.165 5.844 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.786 7.462 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.312 7.407 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.200 7.974 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.242 6.093 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.405 5.690 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.085 4.156 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.744 5.036 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.618 2.878 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.066 4.213 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.141 3.613 10.992 1.00 0.00 H new ATOM 1139 N GLY A 92 11.388 7.088 5.942 1.00 0.00 N ATOM 1140 CA GLY A 92 12.529 7.572 5.188 1.00 0.00 C ATOM 1141 C GLY A 92 12.127 8.464 4.031 1.00 0.00 C ATOM 1142 O GLY A 92 12.872 9.366 3.648 1.00 0.00 O ATOM 0 H GLY A 92 11.258 6.077 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.192 8.124 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.095 6.722 4.807 1.00 0.00 H new ATOM 1146 N LEU A 93 10.945 8.217 3.474 1.00 0.00 N ATOM 1147 CA LEU A 93 10.455 9.014 2.356 1.00 0.00 C ATOM 1148 C LEU A 93 9.465 10.069 2.836 1.00 0.00 C ATOM 1149 O LEU A 93 8.463 10.342 2.177 1.00 0.00 O ATOM 1150 CB LEU A 93 9.805 8.128 1.291 1.00 0.00 C ATOM 1151 CG LEU A 93 8.884 7.034 1.825 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.596 7.633 2.366 1.00 0.00 C ATOM 1153 CD2 LEU A 93 8.583 6.021 0.736 1.00 0.00 C ATOM 0 H LEU A 93 10.313 7.476 3.777 1.00 0.00 H new ATOM 0 HA LEU A 93 11.312 9.517 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.233 8.763 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.593 7.660 0.701 1.00 0.00 H new ATOM 0 HG LEU A 93 9.393 6.524 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.954 6.836 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.828 8.324 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.081 8.169 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.925 5.247 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.094 6.520 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.513 5.567 0.394 1.00 0.00 H new ATOM 1165 N LYS A 94 9.755 10.658 3.990 1.00 0.00 N ATOM 1166 CA LYS A 94 8.901 11.676 4.565 1.00 0.00 C ATOM 1167 C LYS A 94 9.100 13.011 3.864 1.00 0.00 C ATOM 1168 O LYS A 94 8.206 13.858 3.853 1.00 0.00 O ATOM 1169 CB LYS A 94 9.188 11.826 6.059 1.00 0.00 C ATOM 1170 CG LYS A 94 8.071 12.515 6.823 1.00 0.00 C ATOM 1171 CD LYS A 94 8.613 13.529 7.816 1.00 0.00 C ATOM 1172 CE LYS A 94 8.554 13.001 9.241 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.731 13.432 10.043 1.00 0.00 N ATOM 0 H LYS A 94 10.583 10.442 4.545 1.00 0.00 H new ATOM 0 HA LYS A 94 7.865 11.365 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.357 10.839 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.110 12.393 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.404 13.014 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.477 11.769 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.644 13.775 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.038 14.452 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.640 13.352 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.506 11.912 9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.652 13.051 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.602 13.076 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.763 14.471 10.082 1.00 0.00 H new ATOM 1187 N ASN A 95 10.279 13.200 3.280 1.00 0.00 N ATOM 1188 CA ASN A 95 10.584 14.441 2.584 1.00 0.00 C ATOM 1189 C ASN A 95 11.051 14.180 1.154 1.00 0.00 C ATOM 1190 O ASN A 95 12.129 14.618 0.749 1.00 0.00 O ATOM 1191 CB ASN A 95 11.648 15.232 3.350 1.00 0.00 C ATOM 1192 CG ASN A 95 11.401 15.241 4.846 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.434 14.197 5.499 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.148 16.422 5.398 1.00 0.00 N ATOM 0 H ASN A 95 11.033 12.513 3.276 1.00 0.00 H new ATOM 0 HA ASN A 95 9.667 15.029 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.630 14.802 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.668 16.258 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.971 16.489 6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.130 17.262 4.820 1.00 0.00 H new ATOM 1201 N GLN A 96 10.224 13.476 0.388 1.00 0.00 N ATOM 1202 CA GLN A 96 10.541 13.167 -1.004 1.00 0.00 C ATOM 1203 C GLN A 96 9.595 13.901 -1.943 1.00 0.00 C ATOM 1204 O GLN A 96 9.956 14.242 -3.068 1.00 0.00 O ATOM 1205 CB GLN A 96 10.443 11.661 -1.263 1.00 0.00 C ATOM 1206 CG GLN A 96 10.901 10.808 -0.099 1.00 0.00 C ATOM 1207 CD GLN A 96 12.390 10.925 0.161 1.00 0.00 C ATOM 1208 OE1 GLN A 96 13.206 10.706 -0.734 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.751 11.272 1.390 1.00 0.00 N ATOM 0 H GLN A 96 9.328 13.108 0.707 1.00 0.00 H new ATOM 0 HA GLN A 96 11.563 13.495 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.409 11.410 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.041 11.413 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.355 11.101 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.652 9.766 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.040 11.444 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.739 11.367 1.624 1.00 0.00 H new ATOM 1218 N SER A 97 8.372 14.131 -1.471 1.00 0.00 N ATOM 1219 CA SER A 97 7.355 14.815 -2.261 1.00 0.00 C ATOM 1220 C SER A 97 6.786 13.898 -3.345 1.00 0.00 C ATOM 1221 O SER A 97 5.928 14.312 -4.125 1.00 0.00 O ATOM 1222 CB SER A 97 7.928 16.085 -2.898 1.00 0.00 C ATOM 1223 OG SER A 97 6.895 16.962 -3.309 1.00 0.00 O ATOM 0 H SER A 97 8.062 13.852 -0.540 1.00 0.00 H new ATOM 0 HA SER A 97 6.545 15.092 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.577 16.592 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.545 15.818 -3.756 1.00 0.00 H new ATOM 0 HG SER A 97 6.025 16.567 -3.091 1.00 0.00 H new ATOM 1229 N ARG A 98 7.259 12.651 -3.390 1.00 0.00 N ATOM 1230 CA ARG A 98 6.781 11.695 -4.384 1.00 0.00 C ATOM 1231 C ARG A 98 7.119 10.263 -3.969 1.00 0.00 C ATOM 1232 O ARG A 98 8.144 10.018 -3.333 1.00 0.00 O ATOM 1233 CB ARG A 98 7.388 12.010 -5.754 1.00 0.00 C ATOM 1234 CG ARG A 98 6.379 12.559 -6.752 1.00 0.00 C ATOM 1235 CD ARG A 98 6.799 13.912 -7.295 1.00 0.00 C ATOM 1236 NE ARG A 98 6.132 15.013 -6.603 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.385 16.298 -6.839 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.291 16.650 -7.745 1.00 0.00 N ATOM 1239 NH2 ARG A 98 5.731 17.237 -6.168 1.00 0.00 N ATOM 0 H ARG A 98 7.967 12.284 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 98 5.697 11.782 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.194 12.733 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.835 11.103 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.265 11.856 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.404 12.647 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.879 14.023 -7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.570 13.962 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 98 5.432 14.783 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.798 15.933 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.480 17.637 -7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.034 16.974 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.925 18.222 -6.349 1.00 0.00 H new ATOM 1253 N VAL A 99 6.247 9.321 -4.325 1.00 0.00 N ATOM 1254 CA VAL A 99 6.458 7.916 -3.979 1.00 0.00 C ATOM 1255 C VAL A 99 6.061 6.988 -5.120 1.00 0.00 C ATOM 1256 O VAL A 99 4.876 6.758 -5.365 1.00 0.00 O ATOM 1257 CB VAL A 99 5.667 7.517 -2.718 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.199 6.210 -2.148 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.722 8.622 -1.671 1.00 0.00 C ATOM 0 H VAL A 99 5.392 9.504 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 99 7.525 7.808 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 99 4.624 7.371 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.629 5.943 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.099 5.421 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.250 6.329 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.157 8.317 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.759 8.806 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.290 9.534 -2.082 1.00 0.00 H new ATOM 1269 N LYS A 100 7.062 6.434 -5.799 1.00 0.00 N ATOM 1270 CA LYS A 100 6.824 5.504 -6.900 1.00 0.00 C ATOM 1271 C LYS A 100 6.870 4.080 -6.376 1.00 0.00 C ATOM 1272 O LYS A 100 7.883 3.393 -6.503 1.00 0.00 O ATOM 1273 CB LYS A 100 7.872 5.685 -7.999 1.00 0.00 C ATOM 1274 CG LYS A 100 8.199 7.137 -8.300 1.00 0.00 C ATOM 1275 CD LYS A 100 8.014 7.461 -9.775 1.00 0.00 C ATOM 1276 CE LYS A 100 6.612 7.112 -10.259 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.643 6.306 -11.510 1.00 0.00 N ATOM 0 H LYS A 100 8.047 6.613 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 100 5.842 5.709 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.786 5.170 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.515 5.206 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.559 7.786 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.228 7.347 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.202 8.522 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.749 6.911 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.087 6.557 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.048 8.029 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.670 6.089 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.121 6.846 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.159 5.419 -11.339 1.00 0.00 H new ATOM 1291 N LEU A 101 5.776 3.651 -5.765 1.00 0.00 N ATOM 1292 CA LEU A 101 5.705 2.315 -5.195 1.00 0.00 C ATOM 1293 C LEU A 101 4.814 1.394 -6.022 1.00 0.00 C ATOM 1294 O LEU A 101 3.648 1.697 -6.288 1.00 0.00 O ATOM 1295 CB LEU A 101 5.221 2.388 -3.744 1.00 0.00 C ATOM 1296 CG LEU A 101 3.823 2.946 -3.548 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.310 2.605 -2.157 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.805 4.454 -3.768 1.00 0.00 C ATOM 0 H LEU A 101 4.928 4.207 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 101 6.708 1.888 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.256 1.386 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.921 3.001 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 101 3.164 2.488 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.307 3.011 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.281 1.522 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.974 3.037 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.793 4.831 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.477 4.934 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.133 4.678 -4.783 1.00 0.00 H new ATOM 1310 N ASN A 102 5.384 0.261 -6.424 1.00 0.00 N ATOM 1311 CA ASN A 102 4.663 -0.727 -7.213 1.00 0.00 C ATOM 1312 C ASN A 102 3.924 -1.685 -6.291 1.00 0.00 C ATOM 1313 O ASN A 102 4.541 -2.495 -5.597 1.00 0.00 O ATOM 1314 CB ASN A 102 5.629 -1.501 -8.113 1.00 0.00 C ATOM 1315 CG ASN A 102 5.769 -0.873 -9.487 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.862 -0.485 -9.896 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.658 -0.770 -10.205 1.00 0.00 N ATOM 0 H ASN A 102 6.349 0.006 -6.213 1.00 0.00 H new ATOM 0 HA ASN A 102 3.940 -0.212 -7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.608 -1.547 -7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.278 -2.527 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.689 -0.355 -11.136 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.773 -1.105 -9.826 1.00 0.00 H new ATOM 1324 N ILE A 103 2.604 -1.572 -6.269 1.00 0.00 N ATOM 1325 CA ILE A 103 1.785 -2.415 -5.410 1.00 0.00 C ATOM 1326 C ILE A 103 0.888 -3.341 -6.223 1.00 0.00 C ATOM 1327 O ILE A 103 0.826 -3.246 -7.448 1.00 0.00 O ATOM 1328 CB ILE A 103 0.909 -1.554 -4.482 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.091 -0.746 -5.297 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.772 -0.623 -3.653 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.499 -0.845 -4.780 1.00 0.00 C ATOM 0 H ILE A 103 2.078 -0.906 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 103 2.466 -3.023 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 103 0.363 -2.218 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.215 0.300 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.067 -1.088 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.137 -0.021 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.461 -1.210 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.339 0.033 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.160 -0.246 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.823 -1.886 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.537 -0.476 -3.755 1.00 0.00 H new ATOM 1343 N VAL A 104 0.190 -4.232 -5.526 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.711 -5.174 -6.173 1.00 0.00 C ATOM 1345 C VAL A 104 -2.046 -5.243 -5.441 1.00 0.00 C ATOM 1346 O VAL A 104 -2.091 -5.285 -4.211 1.00 0.00 O ATOM 1347 CB VAL A 104 -0.106 -6.586 -6.233 1.00 0.00 C ATOM 1348 CG1 VAL A 104 0.936 -6.680 -7.334 1.00 0.00 C ATOM 1349 CG2 VAL A 104 0.489 -6.963 -4.887 1.00 0.00 C ATOM 0 H VAL A 104 0.233 -4.320 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.868 -4.811 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.902 -7.294 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.350 -7.688 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.472 -6.456 -8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.735 -5.964 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.914 -7.965 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.272 -6.252 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.291 -6.943 -4.126 1.00 0.00 H new