USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 469 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 26 GLN : amide:sc= -0.619 K(o=-5.9,f=-7.5) USER MOD Set 1.2: A 55 GLN : amide:sc= -5.27! C(o=-5.9!,f=-11!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.71 K(o=-2.9,f=-6) USER MOD Set 2.2: A 52 ASN : amide:sc= -3.59! C(o=-2.9!,f=-10!) USER MOD Set 3.1: A 3 ASN : amide:sc=-0.00118 X(o=-0.082,f=-0.2) USER MOD Set 3.2: A 6 ASN : amide:sc= -0.0811 K(o=-0.082,f=-3.4!) USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.107 (180deg=-0.667) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0659) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -0.771 (180deg=-2.15!) USER MOD Single : A 17 MET CE :methyl 168:sc= -10.1! (180deg=-10.7!) USER MOD Single : A 23 ASN : amide:sc= -2.23! C(o=-2.2!,f=-9.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.215 K(o=0.21,f=-1.6) USER MOD Single : A 33 SER OG : rot 67:sc= 0.998 USER MOD Single : A 39 SER OG : rot -38:sc= 1.22 USER MOD Single : A 40 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.15) USER MOD Single : A 41 SER OG : rot 180:sc= -1.44! USER MOD Single : A 43 ASN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.0351 (180deg=-0.611) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.123 (180deg=-0.833!) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 0.957 (180deg=0.412) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.170 -10.418 17.104 1.00 0.00 N ATOM 2 CA VAL A 1 5.047 -11.356 16.825 1.00 0.00 C ATOM 3 C VAL A 1 3.874 -10.567 16.245 1.00 0.00 C ATOM 4 O VAL A 1 3.371 -9.635 16.877 1.00 0.00 O ATOM 5 CB VAL A 1 4.624 -12.058 18.129 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.514 -13.079 17.841 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.831 -12.782 18.744 1.00 0.00 C ATOM 0 H1 VAL A 1 7.057 -10.954 17.187 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.251 -9.732 16.326 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.987 -9.912 17.994 1.00 0.00 H new ATOM 0 HA VAL A 1 5.363 -12.113 16.107 1.00 0.00 H new ATOM 0 HB VAL A 1 4.252 -11.308 18.827 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.222 -13.570 18.769 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.651 -12.568 17.414 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.880 -13.825 17.135 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.527 -13.277 19.666 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.207 -13.525 18.040 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.617 -12.059 18.962 1.00 0.00 H new ATOM 19 N ASP A 2 3.449 -10.950 15.041 1.00 0.00 N ATOM 20 CA ASP A 2 2.334 -10.281 14.372 1.00 0.00 C ATOM 21 C ASP A 2 1.700 -11.206 13.330 1.00 0.00 C ATOM 22 O ASP A 2 2.286 -12.223 12.950 1.00 0.00 O ATOM 23 CB ASP A 2 2.821 -8.982 13.708 1.00 0.00 C ATOM 24 CG ASP A 2 3.849 -9.287 12.615 1.00 0.00 C ATOM 25 OD1 ASP A 2 4.974 -9.615 12.955 1.00 0.00 O ATOM 26 OD2 ASP A 2 3.496 -9.182 11.454 1.00 0.00 O ATOM 0 H ASP A 2 3.859 -11.718 14.510 1.00 0.00 H new ATOM 0 HA ASP A 2 1.578 -10.034 15.117 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.974 -8.447 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.264 -8.328 14.459 1.00 0.00 H new ATOM 31 N ASN A 3 0.497 -10.846 12.880 1.00 0.00 N ATOM 32 CA ASN A 3 -0.226 -11.647 11.888 1.00 0.00 C ATOM 33 C ASN A 3 0.420 -11.530 10.510 1.00 0.00 C ATOM 34 O ASN A 3 1.219 -10.620 10.265 1.00 0.00 O ATOM 35 CB ASN A 3 -1.684 -11.175 11.801 1.00 0.00 C ATOM 36 CG ASN A 3 -2.345 -11.232 13.177 1.00 0.00 C ATOM 37 OD1 ASN A 3 -2.224 -12.230 13.888 1.00 0.00 O ATOM 38 ND2 ASN A 3 -3.038 -10.211 13.599 1.00 0.00 N ATOM 0 H ASN A 3 0.003 -10.007 13.185 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.189 -12.689 12.205 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.721 -10.156 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.235 -11.802 11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.480 -10.239 14.518 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.138 -9.384 13.010 1.00 0.00 H new ATOM 45 N LYS A 4 0.056 -12.448 9.607 1.00 0.00 N ATOM 46 CA LYS A 4 0.595 -12.430 8.245 1.00 0.00 C ATOM 47 C LYS A 4 0.249 -11.115 7.593 1.00 0.00 C ATOM 48 O LYS A 4 1.038 -10.550 6.835 1.00 0.00 O ATOM 49 CB LYS A 4 0.006 -13.554 7.393 1.00 0.00 C ATOM 50 CG LYS A 4 0.114 -14.907 8.115 1.00 0.00 C ATOM 51 CD LYS A 4 1.590 -15.285 8.315 1.00 0.00 C ATOM 52 CE LYS A 4 1.691 -16.720 8.844 1.00 0.00 C ATOM 53 NZ LYS A 4 1.478 -17.679 7.722 1.00 0.00 N ATOM 0 H LYS A 4 -0.602 -13.204 9.793 1.00 0.00 H new ATOM 0 HA LYS A 4 1.674 -12.567 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.039 -13.338 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.530 -13.604 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.389 -14.854 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.391 -15.679 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.129 -15.197 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.060 -14.595 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.669 -16.884 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.947 -16.885 9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.744 -18.637 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.476 -17.670 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.065 -17.400 6.910 1.00 0.00 H new ATOM 67 N PHE A 5 -0.946 -10.636 7.914 1.00 0.00 N ATOM 68 CA PHE A 5 -1.422 -9.381 7.381 1.00 0.00 C ATOM 69 C PHE A 5 -0.476 -8.274 7.759 1.00 0.00 C ATOM 70 O PHE A 5 0.020 -7.559 6.907 1.00 0.00 O ATOM 71 CB PHE A 5 -2.754 -9.017 8.014 1.00 0.00 C ATOM 72 CG PHE A 5 -3.909 -9.714 7.358 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.838 -11.081 7.044 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.072 -8.984 7.088 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.945 -11.705 6.452 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.169 -9.606 6.500 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.111 -10.961 6.181 1.00 0.00 C ATOM 0 H PHE A 5 -1.599 -11.104 8.543 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.507 -9.492 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.732 -9.274 9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.901 -7.939 7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.941 -11.645 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.118 -7.934 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.904 -12.755 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.064 -9.039 6.291 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.963 -11.443 5.724 1.00 0.00 H new ATOM 87 N ASN A 6 -0.257 -8.142 9.065 1.00 0.00 N ATOM 88 CA ASN A 6 0.602 -7.098 9.583 1.00 0.00 C ATOM 89 C ASN A 6 1.973 -7.165 8.950 1.00 0.00 C ATOM 90 O ASN A 6 2.478 -6.157 8.492 1.00 0.00 O ATOM 91 CB ASN A 6 0.747 -7.252 11.090 1.00 0.00 C ATOM 92 CG ASN A 6 -0.617 -7.173 11.772 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.957 -8.035 12.582 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.425 -6.186 11.490 1.00 0.00 N ATOM 0 H ASN A 6 -0.665 -8.747 9.777 1.00 0.00 H new ATOM 0 HA ASN A 6 0.148 -6.136 9.346 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.220 -8.207 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.400 -6.471 11.480 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.338 -6.130 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.143 -5.472 10.819 1.00 0.00 H new ATOM 101 N LYS A 7 2.555 -8.360 8.902 1.00 0.00 N ATOM 102 CA LYS A 7 3.865 -8.525 8.303 1.00 0.00 C ATOM 103 C LYS A 7 3.842 -8.118 6.845 1.00 0.00 C ATOM 104 O LYS A 7 4.715 -7.377 6.393 1.00 0.00 O ATOM 105 CB LYS A 7 4.320 -9.978 8.445 1.00 0.00 C ATOM 106 CG LYS A 7 5.591 -10.245 7.616 1.00 0.00 C ATOM 107 CD LYS A 7 6.718 -9.286 8.029 1.00 0.00 C ATOM 108 CE LYS A 7 7.036 -9.458 9.517 1.00 0.00 C ATOM 109 NZ LYS A 7 6.432 -8.338 10.299 1.00 0.00 N ATOM 0 H LYS A 7 2.141 -9.217 9.268 1.00 0.00 H new ATOM 0 HA LYS A 7 4.572 -7.879 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.513 -10.201 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.522 -10.646 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.914 -11.276 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.372 -10.122 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.610 -9.482 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.421 -8.256 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.648 -10.412 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.115 -9.477 9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.975 -8.193 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.452 -7.467 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.447 -8.573 10.538 1.00 0.00 H new ATOM 123 N GLU A 8 2.834 -8.579 6.114 1.00 0.00 N ATOM 124 CA GLU A 8 2.731 -8.226 4.712 1.00 0.00 C ATOM 125 C GLU A 8 2.438 -6.736 4.591 1.00 0.00 C ATOM 126 O GLU A 8 2.897 -6.066 3.668 1.00 0.00 O ATOM 127 CB GLU A 8 1.617 -9.052 4.067 1.00 0.00 C ATOM 128 CG GLU A 8 1.687 -8.915 2.544 1.00 0.00 C ATOM 129 CD GLU A 8 2.925 -9.616 1.966 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.358 -10.610 2.530 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.414 -9.151 0.949 1.00 0.00 O ATOM 0 H GLU A 8 2.092 -9.186 6.464 1.00 0.00 H new ATOM 0 HA GLU A 8 3.668 -8.440 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.716 -10.099 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.645 -8.714 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.787 -9.340 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.708 -7.859 2.274 1.00 0.00 H new ATOM 138 N ARG A 9 1.663 -6.248 5.553 1.00 0.00 N ATOM 139 CA ARG A 9 1.261 -4.860 5.623 1.00 0.00 C ATOM 140 C ARG A 9 2.396 -3.943 6.036 1.00 0.00 C ATOM 141 O ARG A 9 2.439 -2.823 5.584 1.00 0.00 O ATOM 142 CB ARG A 9 0.080 -4.697 6.586 1.00 0.00 C ATOM 143 CG ARG A 9 -1.194 -5.210 5.902 1.00 0.00 C ATOM 144 CD ARG A 9 -2.318 -5.426 6.920 1.00 0.00 C ATOM 145 NE ARG A 9 -2.963 -4.154 7.250 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.396 -3.284 8.079 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.184 -3.608 9.322 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.051 -2.105 7.644 1.00 0.00 N ATOM 0 H ARG A 9 1.294 -6.819 6.314 1.00 0.00 H new ATOM 0 HA ARG A 9 0.959 -4.567 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.264 -5.253 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.037 -3.650 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.517 -4.495 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.982 -6.146 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.055 -6.120 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.915 -5.881 7.825 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.867 -3.931 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.453 -4.531 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.749 -2.938 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.216 -1.852 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.616 -1.435 8.278 1.00 0.00 H new ATOM 162 N VAL A 10 3.299 -4.409 6.902 1.00 0.00 N ATOM 163 CA VAL A 10 4.415 -3.563 7.356 1.00 0.00 C ATOM 164 C VAL A 10 5.282 -3.253 6.172 1.00 0.00 C ATOM 165 O VAL A 10 5.701 -2.120 5.926 1.00 0.00 O ATOM 166 CB VAL A 10 5.340 -4.259 8.374 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.394 -3.241 8.862 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.560 -4.817 9.570 1.00 0.00 C ATOM 0 H VAL A 10 3.285 -5.348 7.299 1.00 0.00 H new ATOM 0 HA VAL A 10 3.966 -2.687 7.824 1.00 0.00 H new ATOM 0 HB VAL A 10 5.822 -5.103 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.056 -3.720 9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.978 -2.887 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.893 -2.396 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.251 -5.299 10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.044 -4.003 10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.830 -5.546 9.220 1.00 0.00 H new ATOM 178 N ILE A 11 5.562 -4.314 5.467 1.00 0.00 N ATOM 179 CA ILE A 11 6.388 -4.256 4.311 1.00 0.00 C ATOM 180 C ILE A 11 5.702 -3.418 3.247 1.00 0.00 C ATOM 181 O ILE A 11 6.295 -2.507 2.684 1.00 0.00 O ATOM 182 CB ILE A 11 6.592 -5.696 3.838 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.264 -6.507 4.968 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.460 -5.721 2.582 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.161 -8.005 4.668 1.00 0.00 C ATOM 0 H ILE A 11 5.216 -5.248 5.687 1.00 0.00 H new ATOM 0 HA ILE A 11 7.353 -3.794 4.522 1.00 0.00 H new ATOM 0 HB ILE A 11 5.626 -6.140 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.311 -6.217 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.785 -6.285 5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.598 -6.752 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.972 -5.152 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.431 -5.277 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.637 -8.570 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.111 -8.290 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.661 -8.222 3.724 1.00 0.00 H new ATOM 197 N ALA A 12 4.437 -3.743 3.009 1.00 0.00 N ATOM 198 CA ALA A 12 3.622 -3.058 2.015 1.00 0.00 C ATOM 199 C ALA A 12 3.303 -1.615 2.384 1.00 0.00 C ATOM 200 O ALA A 12 3.463 -0.721 1.559 1.00 0.00 O ATOM 201 CB ALA A 12 2.332 -3.823 1.869 1.00 0.00 C ATOM 0 H ALA A 12 3.947 -4.490 3.501 1.00 0.00 H new ATOM 0 HA ALA A 12 4.190 -3.024 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.700 -3.332 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.547 -4.841 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.814 -3.850 2.828 1.00 0.00 H new ATOM 207 N ILE A 13 2.870 -1.383 3.623 1.00 0.00 N ATOM 208 CA ILE A 13 2.568 -0.035 4.061 1.00 0.00 C ATOM 209 C ILE A 13 3.840 0.774 3.954 1.00 0.00 C ATOM 210 O ILE A 13 3.831 1.932 3.572 1.00 0.00 O ATOM 211 CB ILE A 13 2.056 -0.024 5.517 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.492 1.371 5.833 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.201 -0.377 6.489 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.864 1.805 7.250 1.00 0.00 C ATOM 0 H ILE A 13 2.724 -2.106 4.328 1.00 0.00 H new ATOM 0 HA ILE A 13 1.782 0.389 3.437 1.00 0.00 H new ATOM 0 HB ILE A 13 1.270 -0.770 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.878 2.094 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.407 1.362 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.826 -0.366 7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.585 -1.370 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.003 0.355 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.453 2.795 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.456 1.093 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.949 1.837 7.348 1.00 0.00 H new ATOM 226 N GLY A 14 4.938 0.107 4.277 1.00 0.00 N ATOM 227 CA GLY A 14 6.237 0.705 4.216 1.00 0.00 C ATOM 228 C GLY A 14 6.562 1.043 2.766 1.00 0.00 C ATOM 229 O GLY A 14 7.143 2.093 2.484 1.00 0.00 O ATOM 0 H GLY A 14 4.939 -0.865 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.265 1.607 4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.985 0.022 4.620 1.00 0.00 H new ATOM 233 N GLU A 15 6.150 0.155 1.838 1.00 0.00 N ATOM 234 CA GLU A 15 6.382 0.403 0.421 1.00 0.00 C ATOM 235 C GLU A 15 5.495 1.541 -0.067 1.00 0.00 C ATOM 236 O GLU A 15 5.935 2.426 -0.800 1.00 0.00 O ATOM 237 CB GLU A 15 6.012 -0.837 -0.420 1.00 0.00 C ATOM 238 CG GLU A 15 6.941 -2.039 -0.171 1.00 0.00 C ATOM 239 CD GLU A 15 8.348 -1.589 0.241 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.079 -1.134 -0.625 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.666 -1.692 1.415 1.00 0.00 O ATOM 0 H GLU A 15 5.667 -0.718 2.048 1.00 0.00 H new ATOM 0 HA GLU A 15 7.438 0.647 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.986 -1.127 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.045 -0.574 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.518 -2.671 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.002 -2.646 -1.075 1.00 0.00 H new ATOM 248 N ILE A 16 4.226 1.469 0.321 1.00 0.00 N ATOM 249 CA ILE A 16 3.233 2.447 -0.088 1.00 0.00 C ATOM 250 C ILE A 16 3.422 3.821 0.563 1.00 0.00 C ATOM 251 O ILE A 16 3.281 4.854 -0.089 1.00 0.00 O ATOM 252 CB ILE A 16 1.841 1.851 0.137 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.634 0.827 -0.982 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.716 2.909 0.088 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.485 -0.103 -0.657 1.00 0.00 C ATOM 0 H ILE A 16 3.861 0.733 0.925 1.00 0.00 H new ATOM 0 HA ILE A 16 3.360 2.653 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 16 1.791 1.408 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.435 1.344 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.547 0.248 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.246 2.425 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.885 3.656 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.714 3.393 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.358 -0.821 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.699 -0.635 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.430 0.477 -0.539 1.00 0.00 H new ATOM 267 N MET A 17 3.731 3.826 1.848 1.00 0.00 N ATOM 268 CA MET A 17 3.935 5.072 2.581 1.00 0.00 C ATOM 269 C MET A 17 5.147 5.836 2.025 1.00 0.00 C ATOM 270 O MET A 17 5.259 7.051 2.204 1.00 0.00 O ATOM 271 CB MET A 17 4.107 4.770 4.078 1.00 0.00 C ATOM 272 CG MET A 17 2.751 4.356 4.676 1.00 0.00 C ATOM 273 SD MET A 17 1.634 5.773 4.796 1.00 0.00 S ATOM 274 CE MET A 17 0.082 4.827 4.808 1.00 0.00 C ATOM 0 H MET A 17 3.847 2.982 2.409 1.00 0.00 H new ATOM 0 HA MET A 17 3.059 5.708 2.454 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.837 3.973 4.218 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.492 5.649 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.297 3.583 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.903 3.924 5.665 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.742 5.483 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.103 4.419 3.814 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.159 4.011 5.527 1.00 0.00 H new ATOM 284 N ARG A 18 6.038 5.111 1.338 1.00 0.00 N ATOM 285 CA ARG A 18 7.232 5.698 0.735 1.00 0.00 C ATOM 286 C ARG A 18 6.861 6.555 -0.478 1.00 0.00 C ATOM 287 O ARG A 18 7.512 7.559 -0.772 1.00 0.00 O ATOM 288 CB ARG A 18 8.159 4.554 0.310 1.00 0.00 C ATOM 289 CG ARG A 18 9.410 5.085 -0.396 1.00 0.00 C ATOM 290 CD ARG A 18 10.219 3.901 -0.922 1.00 0.00 C ATOM 291 NE ARG A 18 10.720 3.091 0.189 1.00 0.00 N ATOM 292 CZ ARG A 18 10.437 1.795 0.287 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.043 0.936 -0.482 1.00 0.00 N ATOM 294 NH2 ARG A 18 9.557 1.383 1.153 1.00 0.00 N ATOM 0 H ARG A 18 5.949 4.106 1.187 1.00 0.00 H new ATOM 0 HA ARG A 18 7.732 6.344 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.451 3.975 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.623 3.877 -0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.129 5.744 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.011 5.676 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.597 3.289 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.054 4.261 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 18 11.299 3.530 0.904 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.735 1.257 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.826 -0.058 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.083 2.054 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.341 0.389 1.227 1.00 0.00 H new ATOM 308 N LEU A 19 5.822 6.112 -1.179 1.00 0.00 N ATOM 309 CA LEU A 19 5.331 6.769 -2.392 1.00 0.00 C ATOM 310 C LEU A 19 5.171 8.288 -2.224 1.00 0.00 C ATOM 311 O LEU A 19 4.277 8.749 -1.511 1.00 0.00 O ATOM 312 CB LEU A 19 3.992 6.146 -2.764 1.00 0.00 C ATOM 313 CG LEU A 19 4.144 4.618 -2.815 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.798 3.966 -3.090 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.146 4.239 -3.903 1.00 0.00 C ATOM 0 H LEU A 19 5.291 5.280 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 19 6.068 6.620 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.232 6.424 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.658 6.523 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 19 4.511 4.263 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.918 2.883 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.098 4.229 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.412 4.318 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.253 3.155 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.789 4.600 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.112 4.692 -3.681 1.00 0.00 H new ATOM 327 N PRO A 20 6.022 9.067 -2.869 1.00 0.00 N ATOM 328 CA PRO A 20 5.983 10.559 -2.798 1.00 0.00 C ATOM 329 C PRO A 20 4.910 11.183 -3.700 1.00 0.00 C ATOM 330 O PRO A 20 4.687 12.394 -3.641 1.00 0.00 O ATOM 331 CB PRO A 20 7.376 11.000 -3.291 1.00 0.00 C ATOM 332 CG PRO A 20 8.132 9.757 -3.649 1.00 0.00 C ATOM 333 CD PRO A 20 7.125 8.618 -3.732 1.00 0.00 C ATOM 0 HA PRO A 20 5.739 10.883 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.288 11.659 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.900 11.559 -2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.648 9.883 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.894 9.542 -2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.791 8.452 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.552 7.679 -3.380 1.00 0.00 H new ATOM 341 N ASN A 21 4.283 10.371 -4.563 1.00 0.00 N ATOM 342 CA ASN A 21 3.283 10.899 -5.504 1.00 0.00 C ATOM 343 C ASN A 21 1.862 10.436 -5.189 1.00 0.00 C ATOM 344 O ASN A 21 1.054 10.202 -6.095 1.00 0.00 O ATOM 345 CB ASN A 21 3.668 10.486 -6.923 1.00 0.00 C ATOM 346 CG ASN A 21 4.756 11.408 -7.468 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.667 12.629 -7.337 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.781 10.894 -8.082 1.00 0.00 N ATOM 0 H ASN A 21 4.445 9.366 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 21 3.281 11.985 -5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.021 9.455 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.792 10.524 -7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.510 11.502 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.856 9.883 -8.191 1.00 0.00 H new ATOM 355 N LEU A 22 1.551 10.330 -3.909 1.00 0.00 N ATOM 356 CA LEU A 22 0.219 9.924 -3.485 1.00 0.00 C ATOM 357 C LEU A 22 -0.276 10.804 -2.365 1.00 0.00 C ATOM 358 O LEU A 22 0.492 11.197 -1.483 1.00 0.00 O ATOM 359 CB LEU A 22 0.227 8.474 -3.006 1.00 0.00 C ATOM 360 CG LEU A 22 0.382 7.541 -4.201 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.781 6.157 -3.715 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.948 7.442 -4.942 1.00 0.00 C ATOM 0 H LEU A 22 2.200 10.519 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.445 10.022 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.044 8.318 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.699 8.251 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 22 1.150 7.933 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.892 5.489 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.727 6.219 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.010 5.769 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.839 6.775 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.711 7.049 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.246 8.431 -5.289 1.00 0.00 H new ATOM 374 N ASN A 23 -1.579 11.046 -2.362 1.00 0.00 N ATOM 375 CA ASN A 23 -2.184 11.810 -1.291 1.00 0.00 C ATOM 376 C ASN A 23 -2.347 10.850 -0.147 1.00 0.00 C ATOM 377 O ASN A 23 -2.424 9.637 -0.366 1.00 0.00 O ATOM 378 CB ASN A 23 -3.537 12.405 -1.716 1.00 0.00 C ATOM 379 CG ASN A 23 -4.265 11.465 -2.671 1.00 0.00 C ATOM 380 OD1 ASN A 23 -5.115 10.689 -2.246 1.00 0.00 O ATOM 381 ND2 ASN A 23 -3.975 11.491 -3.945 1.00 0.00 N ATOM 0 H ASN A 23 -2.227 10.727 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.562 12.661 -1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.153 12.585 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.380 13.370 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.456 10.865 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.268 12.138 -4.294 1.00 0.00 H new ATOM 388 N SER A 24 -2.366 11.363 1.064 1.00 0.00 N ATOM 389 CA SER A 24 -2.480 10.495 2.214 1.00 0.00 C ATOM 390 C SER A 24 -3.644 9.532 2.038 1.00 0.00 C ATOM 391 O SER A 24 -3.561 8.397 2.451 1.00 0.00 O ATOM 392 CB SER A 24 -2.674 11.295 3.481 1.00 0.00 C ATOM 393 OG SER A 24 -1.607 12.223 3.626 1.00 0.00 O ATOM 0 H SER A 24 -2.305 12.359 1.276 1.00 0.00 H new ATOM 0 HA SER A 24 -1.552 9.929 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.627 11.823 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.709 10.628 4.343 1.00 0.00 H new ATOM 0 HG SER A 24 -1.735 12.743 4.447 1.00 0.00 H new ATOM 399 N LEU A 25 -4.715 9.988 1.399 1.00 0.00 N ATOM 400 CA LEU A 25 -5.871 9.136 1.173 1.00 0.00 C ATOM 401 C LEU A 25 -5.492 7.956 0.323 1.00 0.00 C ATOM 402 O LEU A 25 -5.819 6.841 0.671 1.00 0.00 O ATOM 403 CB LEU A 25 -6.960 9.906 0.445 1.00 0.00 C ATOM 404 CG LEU A 25 -7.590 10.985 1.338 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.576 12.085 1.676 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.745 11.613 0.570 1.00 0.00 C ATOM 0 H LEU A 25 -4.805 10.935 1.032 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.232 8.800 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.541 10.372 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.733 9.214 0.111 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.926 10.526 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.050 12.835 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.728 11.648 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.228 12.555 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.212 12.385 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.370 12.058 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.481 10.846 0.329 1.00 0.00 H new ATOM 418 N GLN A 26 -4.783 8.205 -0.778 1.00 0.00 N ATOM 419 CA GLN A 26 -4.350 7.127 -1.640 1.00 0.00 C ATOM 420 C GLN A 26 -3.387 6.254 -0.891 1.00 0.00 C ATOM 421 O GLN A 26 -3.487 5.037 -0.900 1.00 0.00 O ATOM 422 CB GLN A 26 -3.651 7.679 -2.858 1.00 0.00 C ATOM 423 CG GLN A 26 -4.687 8.179 -3.860 1.00 0.00 C ATOM 424 CD GLN A 26 -5.260 7.013 -4.675 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.163 5.852 -4.273 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.846 7.256 -5.812 1.00 0.00 N ATOM 0 H GLN A 26 -4.503 9.137 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.223 6.554 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.986 8.493 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.031 6.908 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.492 8.691 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.230 8.908 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.928 8.215 -6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.223 6.487 -6.366 1.00 0.00 H new ATOM 435 N VAL A 27 -2.482 6.923 -0.204 1.00 0.00 N ATOM 436 CA VAL A 27 -1.486 6.263 0.600 1.00 0.00 C ATOM 437 C VAL A 27 -2.198 5.372 1.603 1.00 0.00 C ATOM 438 O VAL A 27 -1.837 4.215 1.807 1.00 0.00 O ATOM 439 CB VAL A 27 -0.680 7.369 1.310 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.085 6.840 2.516 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.312 8.003 0.330 1.00 0.00 C ATOM 0 H VAL A 27 -2.421 7.941 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.814 5.642 0.007 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.396 8.112 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.637 7.656 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.617 6.418 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.783 6.067 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.878 8.783 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.997 7.240 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.232 8.438 -0.509 1.00 0.00 H new ATOM 451 N VAL A 28 -3.237 5.937 2.190 1.00 0.00 N ATOM 452 CA VAL A 28 -4.067 5.228 3.150 1.00 0.00 C ATOM 453 C VAL A 28 -4.947 4.202 2.469 1.00 0.00 C ATOM 454 O VAL A 28 -5.224 3.134 3.011 1.00 0.00 O ATOM 455 CB VAL A 28 -4.862 6.192 4.005 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.636 5.386 5.051 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.859 7.103 4.715 1.00 0.00 C ATOM 0 H VAL A 28 -3.530 6.898 2.016 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.408 4.678 3.822 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.558 6.777 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.215 6.064 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.309 4.691 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.935 4.828 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.395 7.814 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.195 6.500 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.271 7.644 3.974 1.00 0.00 H new ATOM 467 N ALA A 29 -5.385 4.558 1.274 1.00 0.00 N ATOM 468 CA ALA A 29 -6.239 3.712 0.471 1.00 0.00 C ATOM 469 C ALA A 29 -5.567 2.388 0.326 1.00 0.00 C ATOM 470 O ALA A 29 -6.195 1.329 0.371 1.00 0.00 O ATOM 471 CB ALA A 29 -6.366 4.321 -0.912 1.00 0.00 C ATOM 0 H ALA A 29 -5.154 5.449 0.834 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.220 3.610 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.008 3.692 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.802 5.317 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.380 4.392 -1.370 1.00 0.00 H new ATOM 477 N PHE A 30 -4.265 2.477 0.178 1.00 0.00 N ATOM 478 CA PHE A 30 -3.461 1.334 0.058 1.00 0.00 C ATOM 479 C PHE A 30 -3.389 0.627 1.367 1.00 0.00 C ATOM 480 O PHE A 30 -3.471 -0.590 1.384 1.00 0.00 O ATOM 481 CB PHE A 30 -2.096 1.744 -0.390 1.00 0.00 C ATOM 482 CG PHE A 30 -2.145 1.932 -1.868 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.382 0.835 -2.696 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.031 3.203 -2.402 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.484 1.016 -4.065 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.149 3.395 -3.759 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.370 2.300 -4.607 1.00 0.00 C ATOM 0 H PHE A 30 -3.754 3.359 0.140 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.891 0.654 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.792 2.667 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.361 0.984 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.486 -0.152 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.849 4.046 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.651 0.168 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.071 4.390 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.452 2.448 -5.674 1.00 0.00 H new ATOM 497 N ILE A 31 -3.284 1.386 2.477 1.00 0.00 N ATOM 498 CA ILE A 31 -3.243 0.723 3.776 1.00 0.00 C ATOM 499 C ILE A 31 -4.494 -0.133 3.878 1.00 0.00 C ATOM 500 O ILE A 31 -4.478 -1.251 4.398 1.00 0.00 O ATOM 501 CB ILE A 31 -3.293 1.704 4.956 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.154 2.712 4.896 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.180 0.922 6.275 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.371 3.751 6.006 1.00 0.00 C ATOM 0 H ILE A 31 -3.229 2.404 2.495 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.309 0.163 3.834 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.240 2.242 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.195 2.210 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.128 3.198 3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.215 1.617 7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.008 0.217 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.236 0.377 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.565 4.484 5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.325 4.255 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.378 3.252 6.975 1.00 0.00 H new ATOM 516 N ASN A 32 -5.578 0.442 3.361 1.00 0.00 N ATOM 517 CA ASN A 32 -6.875 -0.207 3.366 1.00 0.00 C ATOM 518 C ASN A 32 -6.925 -1.404 2.422 1.00 0.00 C ATOM 519 O ASN A 32 -7.536 -2.420 2.747 1.00 0.00 O ATOM 520 CB ASN A 32 -7.934 0.824 2.976 1.00 0.00 C ATOM 521 CG ASN A 32 -8.371 1.612 4.206 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.486 1.437 4.696 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.551 2.475 4.739 1.00 0.00 N ATOM 0 H ASN A 32 -5.576 1.367 2.930 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.068 -0.592 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.533 1.502 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.794 0.324 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.834 3.006 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.627 2.619 4.332 1.00 0.00 H new ATOM 530 N SER A 33 -6.294 -1.288 1.260 1.00 0.00 N ATOM 531 CA SER A 33 -6.299 -2.380 0.304 1.00 0.00 C ATOM 532 C SER A 33 -5.562 -3.597 0.863 1.00 0.00 C ATOM 533 O SER A 33 -5.931 -4.737 0.575 1.00 0.00 O ATOM 534 CB SER A 33 -5.648 -1.926 -0.993 1.00 0.00 C ATOM 535 OG SER A 33 -6.269 -0.731 -1.444 1.00 0.00 O ATOM 0 H SER A 33 -5.780 -0.459 0.962 1.00 0.00 H new ATOM 0 HA SER A 33 -7.332 -2.668 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.582 -1.758 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.741 -2.704 -1.750 1.00 0.00 H new ATOM 0 HG SER A 33 -6.068 -0.002 -0.820 1.00 0.00 H new ATOM 541 N LEU A 34 -4.508 -3.342 1.644 1.00 0.00 N ATOM 542 CA LEU A 34 -3.708 -4.445 2.221 1.00 0.00 C ATOM 543 C LEU A 34 -4.576 -5.364 3.082 1.00 0.00 C ATOM 544 O LEU A 34 -4.515 -6.581 2.959 1.00 0.00 O ATOM 545 CB LEU A 34 -2.572 -3.939 3.131 1.00 0.00 C ATOM 546 CG LEU A 34 -1.879 -2.683 2.591 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.586 -2.425 3.361 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.541 -2.834 1.111 1.00 0.00 C ATOM 0 H LEU A 34 -4.188 -2.406 1.892 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.292 -4.975 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.976 -3.726 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.832 -4.730 3.252 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.567 -1.847 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.102 -1.531 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.814 -2.281 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.082 -3.279 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.050 -1.928 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.874 -3.685 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.457 -2.997 0.543 1.00 0.00 H new ATOM 560 N ARG A 35 -5.381 -4.765 3.956 1.00 0.00 N ATOM 561 CA ARG A 35 -6.264 -5.539 4.833 1.00 0.00 C ATOM 562 C ARG A 35 -7.419 -6.123 4.045 1.00 0.00 C ATOM 563 O ARG A 35 -7.858 -7.246 4.306 1.00 0.00 O ATOM 564 CB ARG A 35 -6.767 -4.677 5.992 1.00 0.00 C ATOM 565 CG ARG A 35 -7.486 -3.426 5.473 1.00 0.00 C ATOM 566 CD ARG A 35 -7.901 -2.538 6.652 1.00 0.00 C ATOM 567 NE ARG A 35 -8.650 -1.375 6.176 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.818 -1.510 5.554 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.898 -1.751 6.239 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.878 -1.402 4.261 1.00 0.00 N ATOM 0 H ARG A 35 -5.442 -3.754 4.078 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.692 -6.365 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.446 -5.259 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.928 -4.383 6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.831 -2.871 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.365 -3.714 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.512 -3.111 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.016 -2.210 7.198 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.268 -0.441 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.850 -1.837 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.793 -1.854 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.031 -1.214 3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.772 -1.505 3.782 1.00 0.00 H new ATOM 584 N ASP A 36 -7.873 -5.368 3.050 1.00 0.00 N ATOM 585 CA ASP A 36 -8.941 -5.818 2.182 1.00 0.00 C ATOM 586 C ASP A 36 -8.441 -7.014 1.391 1.00 0.00 C ATOM 587 O ASP A 36 -9.227 -7.808 0.867 1.00 0.00 O ATOM 588 CB ASP A 36 -9.362 -4.681 1.231 1.00 0.00 C ATOM 589 CG ASP A 36 -10.056 -3.543 1.994 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.603 -3.794 3.059 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.029 -2.429 1.498 1.00 0.00 O ATOM 0 H ASP A 36 -7.513 -4.440 2.829 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.811 -6.104 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.484 -4.293 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.034 -5.073 0.468 1.00 0.00 H new ATOM 596 N ASP A 37 -7.108 -7.123 1.315 1.00 0.00 N ATOM 597 CA ASP A 37 -6.466 -8.211 0.588 1.00 0.00 C ATOM 598 C ASP A 37 -4.947 -8.209 0.831 1.00 0.00 C ATOM 599 O ASP A 37 -4.209 -7.473 0.166 1.00 0.00 O ATOM 600 CB ASP A 37 -6.752 -8.053 -0.910 1.00 0.00 C ATOM 601 CG ASP A 37 -6.470 -9.364 -1.647 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.415 -9.933 -1.423 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.314 -9.779 -2.422 1.00 0.00 O ATOM 0 H ASP A 37 -6.459 -6.468 1.750 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.868 -9.159 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.791 -7.760 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.134 -7.256 -1.323 1.00 0.00 H new ATOM 608 N PRO A 38 -4.463 -9.006 1.767 1.00 0.00 N ATOM 609 CA PRO A 38 -3.005 -9.076 2.080 1.00 0.00 C ATOM 610 C PRO A 38 -2.192 -9.720 0.962 1.00 0.00 C ATOM 611 O PRO A 38 -1.055 -9.327 0.715 1.00 0.00 O ATOM 612 CB PRO A 38 -2.905 -9.898 3.368 1.00 0.00 C ATOM 613 CG PRO A 38 -4.296 -10.255 3.769 1.00 0.00 C ATOM 614 CD PRO A 38 -5.238 -9.919 2.612 1.00 0.00 C ATOM 0 HA PRO A 38 -2.590 -8.074 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.308 -10.796 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.413 -9.325 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.359 -11.316 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.585 -9.704 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.531 -10.815 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.155 -9.449 2.969 1.00 0.00 H new ATOM 622 N SER A 39 -2.783 -10.704 0.277 1.00 0.00 N ATOM 623 CA SER A 39 -2.091 -11.373 -0.820 1.00 0.00 C ATOM 624 C SER A 39 -1.813 -10.362 -1.921 1.00 0.00 C ATOM 625 O SER A 39 -0.860 -10.503 -2.690 1.00 0.00 O ATOM 626 CB SER A 39 -2.922 -12.544 -1.361 1.00 0.00 C ATOM 627 OG SER A 39 -3.994 -12.056 -2.156 1.00 0.00 O ATOM 0 H SER A 39 -3.725 -11.048 0.462 1.00 0.00 H new ATOM 0 HA SER A 39 -1.149 -11.780 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.290 -13.205 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.313 -13.136 -0.533 1.00 0.00 H new ATOM 0 HG SER A 39 -4.352 -11.236 -1.755 1.00 0.00 H new ATOM 633 N GLN A 40 -2.659 -9.331 -1.969 1.00 0.00 N ATOM 634 CA GLN A 40 -2.518 -8.277 -2.953 1.00 0.00 C ATOM 635 C GLN A 40 -1.685 -7.122 -2.407 1.00 0.00 C ATOM 636 O GLN A 40 -1.432 -6.162 -3.119 1.00 0.00 O ATOM 637 CB GLN A 40 -3.896 -7.768 -3.387 1.00 0.00 C ATOM 638 CG GLN A 40 -4.564 -8.804 -4.303 1.00 0.00 C ATOM 639 CD GLN A 40 -5.953 -8.331 -4.741 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.572 -8.954 -5.602 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.490 -7.274 -4.193 1.00 0.00 N ATOM 0 H GLN A 40 -3.447 -9.211 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.001 -8.692 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.520 -7.586 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.795 -6.817 -3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.940 -8.975 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.648 -9.757 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.980 -6.755 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.420 -6.968 -4.479 1.00 0.00 H new ATOM 650 N SER A 41 -1.224 -7.227 -1.155 1.00 0.00 N ATOM 651 CA SER A 41 -0.389 -6.175 -0.570 1.00 0.00 C ATOM 652 C SER A 41 0.782 -5.929 -1.502 1.00 0.00 C ATOM 653 O SER A 41 1.242 -4.809 -1.651 1.00 0.00 O ATOM 654 CB SER A 41 0.096 -6.581 0.829 1.00 0.00 C ATOM 655 OG SER A 41 -1.019 -6.674 1.699 1.00 0.00 O ATOM 0 H SER A 41 -1.412 -8.017 -0.537 1.00 0.00 H new ATOM 0 HA SER A 41 -0.968 -5.258 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.618 -7.537 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.808 -5.847 1.208 1.00 0.00 H new ATOM 0 HG SER A 41 -0.715 -6.935 2.593 1.00 0.00 H new ATOM 661 N ALA A 42 1.208 -7.014 -2.147 1.00 0.00 N ATOM 662 CA ALA A 42 2.294 -7.005 -3.119 1.00 0.00 C ATOM 663 C ALA A 42 1.891 -6.267 -4.397 1.00 0.00 C ATOM 664 O ALA A 42 2.679 -5.552 -5.010 1.00 0.00 O ATOM 665 CB ALA A 42 2.599 -8.444 -3.504 1.00 0.00 C ATOM 0 H ALA A 42 0.800 -7.938 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 42 3.153 -6.505 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.410 -8.462 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.896 -9.003 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.710 -8.900 -3.940 1.00 0.00 H new ATOM 671 N ASN A 43 0.656 -6.489 -4.795 1.00 0.00 N ATOM 672 CA ASN A 43 0.090 -5.885 -5.985 1.00 0.00 C ATOM 673 C ASN A 43 -0.195 -4.420 -5.768 1.00 0.00 C ATOM 674 O ASN A 43 -0.169 -3.604 -6.684 1.00 0.00 O ATOM 675 CB ASN A 43 -1.229 -6.561 -6.243 1.00 0.00 C ATOM 676 CG ASN A 43 -1.021 -7.924 -6.893 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.077 -8.046 -8.117 1.00 0.00 O ATOM 678 ND2 ASN A 43 -0.773 -8.962 -6.144 1.00 0.00 N ATOM 0 H ASN A 43 0.009 -7.100 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 43 0.793 -5.995 -6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.772 -6.679 -5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.843 -5.935 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.625 -9.876 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.727 -8.860 -5.130 1.00 0.00 H new ATOM 685 N LEU A 44 -0.580 -4.145 -4.546 1.00 0.00 N ATOM 686 CA LEU A 44 -1.003 -2.827 -4.149 1.00 0.00 C ATOM 687 C LEU A 44 0.093 -1.801 -4.223 1.00 0.00 C ATOM 688 O LEU A 44 -0.160 -0.712 -4.709 1.00 0.00 O ATOM 689 CB LEU A 44 -1.622 -2.928 -2.773 1.00 0.00 C ATOM 690 CG LEU A 44 -2.938 -3.699 -2.934 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.418 -4.281 -1.608 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.984 -2.761 -3.506 1.00 0.00 C ATOM 0 H LEU A 44 -0.608 -4.835 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.747 -2.464 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.953 -3.445 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.803 -1.937 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.772 -4.537 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.353 -4.820 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.665 -4.966 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.579 -3.474 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.926 -3.296 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.128 -1.920 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.650 -2.392 -4.476 1.00 0.00 H new ATOM 704 N LEU A 45 1.317 -2.137 -3.825 1.00 0.00 N ATOM 705 CA LEU A 45 2.385 -1.138 -3.993 1.00 0.00 C ATOM 706 C LEU A 45 2.592 -1.009 -5.480 1.00 0.00 C ATOM 707 O LEU A 45 2.935 0.038 -5.973 1.00 0.00 O ATOM 708 CB LEU A 45 3.774 -1.376 -3.335 1.00 0.00 C ATOM 709 CG LEU A 45 3.843 -2.586 -2.426 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.803 -2.479 -1.317 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.659 -3.832 -3.276 1.00 0.00 C ATOM 0 H LEU A 45 1.591 -3.028 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 45 2.025 -0.257 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.520 -1.486 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.046 -0.490 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 45 4.813 -2.642 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.866 -3.356 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.991 -1.582 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.807 -2.422 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.705 -4.716 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.690 -3.793 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.450 -3.882 -4.025 1.00 0.00 H new ATOM 723 N ALA A 46 2.365 -2.116 -6.189 1.00 0.00 N ATOM 724 CA ALA A 46 2.510 -2.122 -7.637 1.00 0.00 C ATOM 725 C ALA A 46 1.554 -1.100 -8.195 1.00 0.00 C ATOM 726 O ALA A 46 1.906 -0.287 -9.046 1.00 0.00 O ATOM 727 CB ALA A 46 2.126 -3.482 -8.209 1.00 0.00 C ATOM 0 H ALA A 46 2.083 -3.009 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 46 3.545 -1.902 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.241 -3.466 -9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.773 -4.250 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.089 -3.703 -7.957 1.00 0.00 H new ATOM 733 N GLU A 47 0.344 -1.135 -7.646 1.00 0.00 N ATOM 734 CA GLU A 47 -0.687 -0.210 -8.015 1.00 0.00 C ATOM 735 C GLU A 47 -0.282 1.163 -7.555 1.00 0.00 C ATOM 736 O GLU A 47 -0.340 2.124 -8.288 1.00 0.00 O ATOM 737 CB GLU A 47 -1.967 -0.584 -7.271 1.00 0.00 C ATOM 738 CG GLU A 47 -2.991 -1.272 -8.185 1.00 0.00 C ATOM 739 CD GLU A 47 -3.089 -0.603 -9.560 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.244 0.607 -9.610 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.015 -1.318 -10.546 1.00 0.00 O ATOM 0 H GLU A 47 0.065 -1.810 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.841 -0.234 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.722 -1.246 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.411 0.314 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.715 -2.319 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.970 -1.256 -7.706 1.00 0.00 H new ATOM 748 N ALA A 48 0.112 1.202 -6.303 1.00 0.00 N ATOM 749 CA ALA A 48 0.521 2.423 -5.641 1.00 0.00 C ATOM 750 C ALA A 48 1.669 3.092 -6.369 1.00 0.00 C ATOM 751 O ALA A 48 1.632 4.289 -6.633 1.00 0.00 O ATOM 752 CB ALA A 48 0.935 2.090 -4.231 1.00 0.00 C ATOM 0 H ALA A 48 0.159 0.376 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.318 3.119 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.246 3.000 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.094 1.644 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.765 1.384 -4.253 1.00 0.00 H new ATOM 758 N LYS A 49 2.669 2.306 -6.716 1.00 0.00 N ATOM 759 CA LYS A 49 3.804 2.828 -7.459 1.00 0.00 C ATOM 760 C LYS A 49 3.299 3.310 -8.812 1.00 0.00 C ATOM 761 O LYS A 49 3.746 4.336 -9.326 1.00 0.00 O ATOM 762 CB LYS A 49 4.880 1.747 -7.634 1.00 0.00 C ATOM 763 CG LYS A 49 5.560 1.473 -6.283 1.00 0.00 C ATOM 764 CD LYS A 49 6.614 0.367 -6.440 1.00 0.00 C ATOM 765 CE LYS A 49 7.083 -0.116 -5.058 1.00 0.00 C ATOM 766 NZ LYS A 49 7.397 1.055 -4.187 1.00 0.00 N ATOM 0 H LYS A 49 2.721 1.311 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 49 4.260 3.655 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.431 0.831 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.620 2.071 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.029 2.384 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.815 1.175 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.196 -0.467 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.464 0.742 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.308 -0.727 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.965 -0.747 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.056 0.763 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.834 1.806 -4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.520 1.413 -3.757 1.00 0.00 H new ATOM 780 N LYS A 50 2.316 2.575 -9.354 1.00 0.00 N ATOM 781 CA LYS A 50 1.696 2.933 -10.615 1.00 0.00 C ATOM 782 C LYS A 50 0.851 4.186 -10.412 1.00 0.00 C ATOM 783 O LYS A 50 0.750 5.030 -11.291 1.00 0.00 O ATOM 784 CB LYS A 50 0.846 1.756 -11.101 1.00 0.00 C ATOM 785 CG LYS A 50 0.519 1.889 -12.591 1.00 0.00 C ATOM 786 CD LYS A 50 0.309 0.485 -13.185 1.00 0.00 C ATOM 787 CE LYS A 50 -0.772 -0.282 -12.401 1.00 0.00 C ATOM 788 NZ LYS A 50 -1.966 0.591 -12.209 1.00 0.00 N ATOM 0 H LYS A 50 1.940 1.728 -8.928 1.00 0.00 H new ATOM 0 HA LYS A 50 2.450 3.147 -11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.379 0.822 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.079 1.709 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.378 2.493 -12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.330 2.400 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.016 0.568 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.247 -0.070 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.053 -1.187 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.380 -0.596 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.777 0.010 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.763 1.300 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.192 1.072 -13.103 1.00 0.00 H new ATOM 802 N LEU A 51 0.268 4.279 -9.213 1.00 0.00 N ATOM 803 CA LEU A 51 -0.563 5.404 -8.807 1.00 0.00 C ATOM 804 C LEU A 51 0.305 6.634 -8.669 1.00 0.00 C ATOM 805 O LEU A 51 -0.061 7.726 -9.090 1.00 0.00 O ATOM 806 CB LEU A 51 -1.177 5.108 -7.436 1.00 0.00 C ATOM 807 CG LEU A 51 -2.628 4.626 -7.519 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.522 5.793 -7.960 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.750 3.412 -8.470 1.00 0.00 C ATOM 0 H LEU A 51 0.364 3.564 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.344 5.564 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.577 4.350 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.134 6.008 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.960 4.290 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.557 5.456 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.447 6.603 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.199 6.150 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.789 3.087 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.417 3.697 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.130 2.596 -8.100 1.00 0.00 H new ATOM 821 N ASN A 52 1.468 6.419 -8.066 1.00 0.00 N ATOM 822 CA ASN A 52 2.428 7.481 -7.852 1.00 0.00 C ATOM 823 C ASN A 52 2.833 8.029 -9.199 1.00 0.00 C ATOM 824 O ASN A 52 2.837 9.238 -9.434 1.00 0.00 O ATOM 825 CB ASN A 52 3.630 6.887 -7.071 1.00 0.00 C ATOM 826 CG ASN A 52 5.028 7.315 -7.587 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.187 8.263 -8.350 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.074 6.652 -7.188 1.00 0.00 N ATOM 0 H ASN A 52 1.766 5.508 -7.716 1.00 0.00 H new ATOM 0 HA ASN A 52 2.014 8.302 -7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.542 7.178 -6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.564 5.800 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.003 6.924 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.965 5.861 -6.554 1.00 0.00 H new ATOM 835 N ASP A 53 3.160 7.109 -10.081 1.00 0.00 N ATOM 836 CA ASP A 53 3.564 7.457 -11.411 1.00 0.00 C ATOM 837 C ASP A 53 2.389 8.040 -12.196 1.00 0.00 C ATOM 838 O ASP A 53 2.563 8.923 -13.037 1.00 0.00 O ATOM 839 CB ASP A 53 4.090 6.201 -12.118 1.00 0.00 C ATOM 840 CG ASP A 53 5.315 5.622 -11.390 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.977 6.356 -10.666 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.571 4.442 -11.568 1.00 0.00 O ATOM 0 H ASP A 53 3.151 6.107 -9.891 1.00 0.00 H new ATOM 0 HA ASP A 53 4.349 8.211 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.302 5.449 -12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.357 6.445 -13.146 1.00 0.00 H new ATOM 847 N ALA A 54 1.200 7.496 -11.931 1.00 0.00 N ATOM 848 CA ALA A 54 -0.020 7.916 -12.634 1.00 0.00 C ATOM 849 C ALA A 54 -0.557 9.269 -12.199 1.00 0.00 C ATOM 850 O ALA A 54 -1.034 10.051 -13.024 1.00 0.00 O ATOM 851 CB ALA A 54 -1.110 6.905 -12.343 1.00 0.00 C ATOM 0 H ALA A 54 1.053 6.764 -11.236 1.00 0.00 H new ATOM 0 HA ALA A 54 0.247 7.985 -13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.025 7.199 -12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.797 5.922 -12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.293 6.866 -11.269 1.00 0.00 H new ATOM 857 N GLN A 55 -0.517 9.519 -10.899 1.00 0.00 N ATOM 858 CA GLN A 55 -1.046 10.755 -10.354 1.00 0.00 C ATOM 859 C GLN A 55 -0.044 11.868 -10.450 1.00 0.00 C ATOM 860 O GLN A 55 -0.373 12.974 -10.890 1.00 0.00 O ATOM 861 CB GLN A 55 -1.398 10.563 -8.884 1.00 0.00 C ATOM 862 CG GLN A 55 -2.623 9.659 -8.742 1.00 0.00 C ATOM 863 CD GLN A 55 -2.968 9.490 -7.267 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.977 8.874 -6.937 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.195 10.015 -6.354 1.00 0.00 N ATOM 0 H GLN A 55 -0.124 8.883 -10.205 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.931 11.016 -10.934 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.552 10.125 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.596 11.530 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.469 10.091 -9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.424 8.687 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.357 10.527 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.430 9.913 -5.367 1.00 0.00 H new ATOM 874 N ALA A 56 1.171 11.567 -9.996 1.00 0.00 N ATOM 875 CA ALA A 56 2.242 12.565 -9.974 1.00 0.00 C ATOM 876 C ALA A 56 1.652 13.912 -9.503 1.00 0.00 C ATOM 877 O ALA A 56 1.613 14.879 -10.264 1.00 0.00 O ATOM 878 CB ALA A 56 2.857 12.689 -11.372 1.00 0.00 C ATOM 0 H ALA A 56 1.439 10.649 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 56 3.031 12.264 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.654 13.432 -11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.266 11.726 -11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.089 12.998 -12.081 1.00 0.00 H new ATOM 884 N PRO A 57 1.130 13.951 -8.280 1.00 0.00 N ATOM 885 CA PRO A 57 0.449 15.139 -7.684 1.00 0.00 C ATOM 886 C PRO A 57 1.087 16.469 -8.085 1.00 0.00 C ATOM 887 O PRO A 57 2.100 16.892 -7.522 1.00 0.00 O ATOM 888 CB PRO A 57 0.523 14.901 -6.162 1.00 0.00 C ATOM 889 CG PRO A 57 1.228 13.598 -5.978 1.00 0.00 C ATOM 890 CD PRO A 57 1.139 12.865 -7.313 1.00 0.00 C ATOM 0 HA PRO A 57 -0.575 15.228 -8.046 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.063 15.709 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.475 14.869 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.268 13.757 -5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.763 13.014 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.987 12.197 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.237 12.257 -7.380 1.00 0.00 H new ATOM 898 N LYS A 58 0.473 17.112 -9.074 1.00 0.00 N ATOM 899 CA LYS A 58 0.952 18.398 -9.581 1.00 0.00 C ATOM 900 C LYS A 58 0.481 19.541 -8.680 1.00 0.00 C ATOM 901 O LYS A 58 -0.687 19.546 -8.318 1.00 0.00 O ATOM 902 CB LYS A 58 0.430 18.615 -11.010 1.00 0.00 C ATOM 903 CG LYS A 58 1.246 17.764 -11.995 1.00 0.00 C ATOM 904 CD LYS A 58 0.407 17.456 -13.244 1.00 0.00 C ATOM 905 CE LYS A 58 -0.494 16.240 -12.985 1.00 0.00 C ATOM 906 NZ LYS A 58 0.346 15.023 -12.792 1.00 0.00 N ATOM 907 OXT LYS A 58 1.294 20.393 -8.362 1.00 0.00 O ATOM 0 H LYS A 58 -0.362 16.763 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 58 2.042 18.388 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.624 18.344 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.503 19.669 -11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.155 18.294 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.555 16.835 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.202 18.321 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.062 17.259 -14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.109 16.413 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.175 16.094 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.213 14.176 -13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.175 15.070 -13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.662 14.973 -11.803 1.00 0.00 H new TER 921 LYS A 58