USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 458 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 32 GLN : amide:sc= -0.893 K(o=-0.89,f=-4.9!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= -2.17 F(o=-15,f=-13) USER MOD Set 2.2: A 55 GLN : amide:sc= -10.5! C(o=-13!,f=-17!) USER MOD Single : A 1 VAL N :NH3+ -164:sc= -0.139 (180deg=-0.8) USER MOD Single : A 3 ASN : amide:sc= 0.103 K(o=0.1,f=-3.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -2.54 K(o=-2.5,f=-5.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -5.62! C(o=-5.6!,f=-6.1!) USER MOD Single : A 10 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.2!) USER MOD Single : A 11 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.37) USER MOD Single : A 21 ASN : amide:sc= -0.0703 K(o=-0.07,f=-0.72) USER MOD Single : A 23 ASN : amide:sc= -1.71 K(o=-1.7,f=-10!) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 41 SER OG : rot -160:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= 0.14 (180deg=0.0214) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -10.5! C(o=-10!,f=-19!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.202 -9.908 18.921 1.00 0.00 N ATOM 2 CA VAL A 1 5.174 -9.053 18.269 1.00 0.00 C ATOM 3 C VAL A 1 5.736 -7.674 17.940 1.00 0.00 C ATOM 4 O VAL A 1 5.320 -7.039 16.970 1.00 0.00 O ATOM 5 CB VAL A 1 3.933 -8.886 19.167 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.833 -8.137 18.429 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.433 -10.239 19.649 1.00 0.00 C ATOM 0 H1 VAL A 1 5.898 -10.902 18.889 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.107 -9.807 18.419 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.321 -9.614 19.911 1.00 0.00 H new ATOM 0 HA VAL A 1 4.883 -9.555 17.346 1.00 0.00 H new ATOM 0 HB VAL A 1 4.219 -8.298 20.039 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.966 -8.030 19.080 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.195 -7.150 18.141 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.549 -8.694 17.536 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.556 -10.099 20.281 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.166 -10.855 18.790 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.218 -10.734 20.221 1.00 0.00 H new ATOM 19 N ASP A 2 6.683 -7.216 18.752 1.00 0.00 N ATOM 20 CA ASP A 2 7.300 -5.912 18.544 1.00 0.00 C ATOM 21 C ASP A 2 7.995 -5.851 17.187 1.00 0.00 C ATOM 22 O ASP A 2 8.084 -4.790 16.570 1.00 0.00 O ATOM 23 CB ASP A 2 8.306 -5.617 19.659 1.00 0.00 C ATOM 24 CG ASP A 2 8.909 -4.231 19.542 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.300 -3.272 20.063 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.990 -4.103 18.930 1.00 0.00 O ATOM 0 H ASP A 2 7.039 -7.728 19.559 1.00 0.00 H new ATOM 0 HA ASP A 2 6.514 -5.157 18.565 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.812 -5.715 20.626 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.103 -6.360 19.632 1.00 0.00 H new ATOM 31 N ASN A 3 8.486 -6.999 16.730 1.00 0.00 N ATOM 32 CA ASN A 3 9.175 -7.080 15.447 1.00 0.00 C ATOM 33 C ASN A 3 8.204 -7.438 14.325 1.00 0.00 C ATOM 34 O ASN A 3 8.321 -8.493 13.699 1.00 0.00 O ATOM 35 CB ASN A 3 10.298 -8.117 15.518 1.00 0.00 C ATOM 36 CG ASN A 3 9.790 -9.493 15.902 1.00 0.00 C ATOM 37 OD1 ASN A 3 9.262 -9.689 16.996 1.00 0.00 O ATOM 38 ND2 ASN A 3 9.949 -10.455 15.001 1.00 0.00 N ATOM 0 H ASN A 3 8.419 -7.886 17.229 1.00 0.00 H new ATOM 0 HA ASN A 3 9.603 -6.102 15.229 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.798 -8.174 14.551 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.044 -7.792 16.244 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.628 -11.402 15.204 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.392 -10.247 14.106 1.00 0.00 H new ATOM 45 N LYS A 4 7.248 -6.551 14.071 1.00 0.00 N ATOM 46 CA LYS A 4 6.259 -6.770 13.021 1.00 0.00 C ATOM 47 C LYS A 4 6.933 -6.776 11.642 1.00 0.00 C ATOM 48 O LYS A 4 7.871 -7.539 11.411 1.00 0.00 O ATOM 49 CB LYS A 4 5.167 -5.695 13.101 1.00 0.00 C ATOM 50 CG LYS A 4 4.513 -5.589 14.469 1.00 0.00 C ATOM 51 CD LYS A 4 3.632 -4.354 14.571 1.00 0.00 C ATOM 52 CE LYS A 4 4.458 -3.099 14.805 1.00 0.00 C ATOM 53 NZ LYS A 4 3.605 -1.923 15.130 1.00 0.00 N ATOM 0 H LYS A 4 7.137 -5.673 14.578 1.00 0.00 H new ATOM 0 HA LYS A 4 5.793 -7.744 13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.600 -4.730 12.839 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.400 -5.912 12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.915 -6.481 14.658 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.283 -5.553 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.051 -4.243 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.920 -4.480 15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.160 -3.274 15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.050 -2.883 13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.207 -1.089 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.952 -1.739 14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.059 -2.118 15.994 1.00 0.00 H new ATOM 67 N PHE A 5 6.459 -5.926 10.730 1.00 0.00 N ATOM 68 CA PHE A 5 7.025 -5.843 9.388 1.00 0.00 C ATOM 69 C PHE A 5 8.419 -5.229 9.431 1.00 0.00 C ATOM 70 O PHE A 5 8.974 -5.013 10.508 1.00 0.00 O ATOM 71 CB PHE A 5 6.120 -4.999 8.494 1.00 0.00 C ATOM 72 CG PHE A 5 4.730 -5.551 8.363 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.448 -6.525 7.423 1.00 0.00 C ATOM 74 CD2 PHE A 5 3.708 -5.098 9.182 1.00 0.00 C ATOM 75 CE1 PHE A 5 3.172 -7.039 7.299 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.430 -5.610 9.063 1.00 0.00 C ATOM 77 CZ PHE A 5 2.163 -6.581 8.120 1.00 0.00 C ATOM 0 H PHE A 5 5.683 -5.286 10.899 1.00 0.00 H new ATOM 0 HA PHE A 5 7.099 -6.852 8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.065 -3.988 8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.568 -4.924 7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.235 -6.888 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.912 -4.337 9.921 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.965 -7.799 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.641 -5.251 9.707 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.165 -6.982 8.025 1.00 0.00 H new ATOM 87 N ASN A 6 8.985 -4.945 8.261 1.00 0.00 N ATOM 88 CA ASN A 6 10.315 -4.353 8.199 1.00 0.00 C ATOM 89 C ASN A 6 10.486 -3.459 6.962 1.00 0.00 C ATOM 90 O ASN A 6 9.989 -2.334 6.938 1.00 0.00 O ATOM 91 CB ASN A 6 11.387 -5.448 8.243 1.00 0.00 C ATOM 92 CG ASN A 6 12.794 -4.883 8.167 1.00 0.00 C ATOM 93 OD1 ASN A 6 12.984 -3.668 8.110 1.00 0.00 O ATOM 94 ND2 ASN A 6 13.789 -5.762 8.165 1.00 0.00 N ATOM 0 H ASN A 6 8.549 -5.113 7.354 1.00 0.00 H new ATOM 0 HA ASN A 6 10.437 -3.712 9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.278 -6.023 9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 6 11.231 -6.139 7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 6 14.755 -5.439 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 6 13.587 -6.761 8.214 1.00 0.00 H new ATOM 101 N LYS A 7 11.210 -3.943 5.949 1.00 0.00 N ATOM 102 CA LYS A 7 11.456 -3.159 4.742 1.00 0.00 C ATOM 103 C LYS A 7 10.389 -3.371 3.666 1.00 0.00 C ATOM 104 O LYS A 7 9.986 -2.424 2.993 1.00 0.00 O ATOM 105 CB LYS A 7 12.842 -3.489 4.181 1.00 0.00 C ATOM 106 CG LYS A 7 13.002 -4.925 3.699 1.00 0.00 C ATOM 107 CD LYS A 7 13.479 -5.843 4.817 1.00 0.00 C ATOM 108 CE LYS A 7 12.506 -6.988 5.057 1.00 0.00 C ATOM 109 NZ LYS A 7 13.008 -8.271 4.495 1.00 0.00 N ATOM 0 H LYS A 7 11.633 -4.871 5.943 1.00 0.00 H new ATOM 0 HA LYS A 7 11.410 -2.108 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.054 -2.815 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.588 -3.292 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.050 -5.287 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.714 -4.955 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.460 -6.246 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.598 -5.268 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.337 -7.102 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.543 -6.747 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.316 -9.025 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.145 -8.171 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.914 -8.515 4.943 1.00 0.00 H new ATOM 123 N GLU A 8 9.955 -4.612 3.486 1.00 0.00 N ATOM 124 CA GLU A 8 8.961 -4.934 2.465 1.00 0.00 C ATOM 125 C GLU A 8 7.644 -4.200 2.690 1.00 0.00 C ATOM 126 O GLU A 8 7.062 -3.658 1.750 1.00 0.00 O ATOM 127 CB GLU A 8 8.715 -6.440 2.423 1.00 0.00 C ATOM 128 CG GLU A 8 9.976 -7.255 2.189 1.00 0.00 C ATOM 129 CD GLU A 8 10.184 -7.596 0.727 1.00 0.00 C ATOM 130 OE1 GLU A 8 9.377 -8.374 0.177 1.00 0.00 O ATOM 131 OE2 GLU A 8 11.155 -7.084 0.131 1.00 0.00 O ATOM 0 H GLU A 8 10.274 -5.412 4.032 1.00 0.00 H new ATOM 0 HA GLU A 8 9.364 -4.601 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.260 -6.752 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.998 -6.661 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.838 -6.697 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.922 -8.176 2.769 1.00 0.00 H new ATOM 138 N GLN A 9 7.165 -4.195 3.925 1.00 0.00 N ATOM 139 CA GLN A 9 5.905 -3.539 4.241 1.00 0.00 C ATOM 140 C GLN A 9 6.072 -2.030 4.382 1.00 0.00 C ATOM 141 O GLN A 9 5.123 -1.281 4.168 1.00 0.00 O ATOM 142 CB GLN A 9 5.311 -4.110 5.528 1.00 0.00 C ATOM 143 CG GLN A 9 3.812 -3.896 5.650 1.00 0.00 C ATOM 144 CD GLN A 9 3.460 -2.757 6.578 1.00 0.00 C ATOM 145 OE1 GLN A 9 4.098 -1.704 6.564 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.438 -2.967 7.394 1.00 0.00 N ATOM 0 H GLN A 9 7.627 -4.635 4.721 1.00 0.00 H new ATOM 0 HA GLN A 9 5.226 -3.730 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.522 -5.178 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.807 -3.650 6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.396 -3.697 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.347 -4.812 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.940 -3.857 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.149 -2.239 8.048 1.00 0.00 H new ATOM 155 N GLN A 10 7.268 -1.581 4.739 1.00 0.00 N ATOM 156 CA GLN A 10 7.515 -0.157 4.904 1.00 0.00 C ATOM 157 C GLN A 10 7.904 0.501 3.586 1.00 0.00 C ATOM 158 O GLN A 10 7.715 1.709 3.418 1.00 0.00 O ATOM 159 CB GLN A 10 8.606 0.082 5.949 1.00 0.00 C ATOM 160 CG GLN A 10 8.148 -0.176 7.375 1.00 0.00 C ATOM 161 CD GLN A 10 7.741 1.088 8.095 1.00 0.00 C ATOM 162 OE1 GLN A 10 8.142 2.190 7.721 1.00 0.00 O ATOM 163 NE2 GLN A 10 6.939 0.931 9.137 1.00 0.00 N ATOM 0 H GLN A 10 8.076 -2.178 4.918 1.00 0.00 H new ATOM 0 HA GLN A 10 6.586 0.298 5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.457 -0.562 5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.955 1.111 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.307 -0.869 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.952 -0.661 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.633 -0.003 9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.627 1.744 9.668 1.00 0.00 H new ATOM 172 N ASN A 11 8.366 -0.286 2.622 1.00 0.00 N ATOM 173 CA ASN A 11 8.682 0.262 1.313 1.00 0.00 C ATOM 174 C ASN A 11 7.377 0.399 0.547 1.00 0.00 C ATOM 175 O ASN A 11 7.146 1.387 -0.153 1.00 0.00 O ATOM 176 CB ASN A 11 9.663 -0.635 0.556 1.00 0.00 C ATOM 177 CG ASN A 11 10.518 0.139 -0.420 1.00 0.00 C ATOM 178 OD1 ASN A 11 10.541 1.369 -0.408 1.00 0.00 O ATOM 179 ND2 ASN A 11 11.228 -0.584 -1.274 1.00 0.00 N ATOM 0 H ASN A 11 8.527 -1.288 2.720 1.00 0.00 H new ATOM 0 HA ASN A 11 9.166 1.233 1.423 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.307 -1.148 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.107 -1.403 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.826 -0.122 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.177 -1.602 -1.246 1.00 0.00 H new ATOM 186 N ALA A 12 6.505 -0.588 0.729 1.00 0.00 N ATOM 187 CA ALA A 12 5.199 -0.573 0.100 1.00 0.00 C ATOM 188 C ALA A 12 4.310 0.444 0.801 1.00 0.00 C ATOM 189 O ALA A 12 3.512 1.134 0.165 1.00 0.00 O ATOM 190 CB ALA A 12 4.568 -1.957 0.139 1.00 0.00 C ATOM 0 H ALA A 12 6.685 -1.408 1.309 1.00 0.00 H new ATOM 0 HA ALA A 12 5.310 -0.287 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.589 -1.924 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.207 -2.663 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.456 -2.277 1.175 1.00 0.00 H new ATOM 196 N PHE A 13 4.461 0.537 2.123 1.00 0.00 N ATOM 197 CA PHE A 13 3.682 1.470 2.913 1.00 0.00 C ATOM 198 C PHE A 13 4.010 2.904 2.542 1.00 0.00 C ATOM 199 O PHE A 13 3.116 3.710 2.289 1.00 0.00 O ATOM 200 CB PHE A 13 3.935 1.245 4.396 1.00 0.00 C ATOM 201 CG PHE A 13 2.907 1.896 5.250 1.00 0.00 C ATOM 202 CD1 PHE A 13 2.962 3.252 5.493 1.00 0.00 C ATOM 203 CD2 PHE A 13 1.879 1.154 5.793 1.00 0.00 C ATOM 204 CE1 PHE A 13 1.999 3.865 6.270 1.00 0.00 C ATOM 205 CE2 PHE A 13 0.914 1.755 6.573 1.00 0.00 C ATOM 206 CZ PHE A 13 0.973 3.115 6.812 1.00 0.00 C ATOM 0 H PHE A 13 5.118 -0.026 2.662 1.00 0.00 H new ATOM 0 HA PHE A 13 2.628 1.294 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.950 0.175 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.920 1.633 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.765 3.839 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.829 0.092 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.048 4.928 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.114 1.165 6.996 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.219 3.591 7.421 1.00 0.00 H new ATOM 216 N TYR A 14 5.293 3.211 2.485 1.00 0.00 N ATOM 217 CA TYR A 14 5.733 4.549 2.112 1.00 0.00 C ATOM 218 C TYR A 14 5.343 4.831 0.669 1.00 0.00 C ATOM 219 O TYR A 14 4.853 5.914 0.349 1.00 0.00 O ATOM 220 CB TYR A 14 7.246 4.691 2.295 1.00 0.00 C ATOM 221 CG TYR A 14 7.637 5.512 3.504 1.00 0.00 C ATOM 222 CD1 TYR A 14 7.121 5.222 4.761 1.00 0.00 C ATOM 223 CD2 TYR A 14 8.522 6.576 3.388 1.00 0.00 C ATOM 224 CE1 TYR A 14 7.477 5.969 5.868 1.00 0.00 C ATOM 225 CE2 TYR A 14 8.883 7.328 4.490 1.00 0.00 C ATOM 226 CZ TYR A 14 8.357 7.021 5.727 1.00 0.00 C ATOM 227 OH TYR A 14 8.714 7.767 6.827 1.00 0.00 O ATOM 0 H TYR A 14 6.048 2.557 2.691 1.00 0.00 H new ATOM 0 HA TYR A 14 5.245 5.275 2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.687 3.698 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.670 5.151 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.430 4.399 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.935 6.820 2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.068 5.730 6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.573 8.152 4.383 1.00 0.00 H new ATOM 0 HH TYR A 14 9.342 8.469 6.556 1.00 0.00 H new ATOM 237 N GLU A 15 5.540 3.841 -0.197 1.00 0.00 N ATOM 238 CA GLU A 15 5.181 3.984 -1.600 1.00 0.00 C ATOM 239 C GLU A 15 3.686 4.259 -1.723 1.00 0.00 C ATOM 240 O GLU A 15 3.238 4.977 -2.617 1.00 0.00 O ATOM 241 CB GLU A 15 5.552 2.721 -2.380 1.00 0.00 C ATOM 242 CG GLU A 15 6.921 2.792 -3.038 1.00 0.00 C ATOM 243 CD GLU A 15 7.019 1.924 -4.277 1.00 0.00 C ATOM 244 OE1 GLU A 15 6.113 2.008 -5.134 1.00 0.00 O ATOM 245 OE2 GLU A 15 8.001 1.161 -4.392 1.00 0.00 O ATOM 0 H GLU A 15 5.944 2.937 0.048 1.00 0.00 H new ATOM 0 HA GLU A 15 5.735 4.823 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.527 1.866 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.798 2.543 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.138 3.826 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.681 2.482 -2.321 1.00 0.00 H new ATOM 252 N ILE A 16 2.926 3.671 -0.800 1.00 0.00 N ATOM 253 CA ILE A 16 1.484 3.822 -0.760 1.00 0.00 C ATOM 254 C ILE A 16 1.096 5.184 -0.187 1.00 0.00 C ATOM 255 O ILE A 16 0.190 5.849 -0.689 1.00 0.00 O ATOM 256 CB ILE A 16 0.869 2.693 0.099 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.454 1.517 -0.788 1.00 0.00 C ATOM 258 CG2 ILE A 16 -0.313 3.185 0.931 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.729 1.816 -1.682 1.00 0.00 C ATOM 0 H ILE A 16 3.300 3.077 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 16 1.098 3.758 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 16 1.635 2.357 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.302 1.224 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.213 0.663 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.713 2.359 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.019 3.979 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.089 3.569 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.964 0.936 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.591 2.079 -1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.485 2.649 -2.342 1.00 0.00 H new ATOM 271 N LEU A 17 1.792 5.588 0.867 1.00 0.00 N ATOM 272 CA LEU A 17 1.529 6.865 1.514 1.00 0.00 C ATOM 273 C LEU A 17 1.834 8.034 0.583 1.00 0.00 C ATOM 274 O LEU A 17 1.412 9.162 0.835 1.00 0.00 O ATOM 275 CB LEU A 17 2.371 6.994 2.787 1.00 0.00 C ATOM 276 CG LEU A 17 1.652 6.632 4.088 1.00 0.00 C ATOM 277 CD1 LEU A 17 2.520 6.982 5.286 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.309 7.342 4.177 1.00 0.00 C ATOM 0 H LEU A 17 2.545 5.048 1.293 1.00 0.00 H new ATOM 0 HA LEU A 17 0.470 6.895 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.249 6.356 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.729 8.021 2.863 1.00 0.00 H new ATOM 0 HG LEU A 17 1.470 5.557 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.996 6.719 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.457 6.427 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.731 8.051 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.185 7.070 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.465 8.420 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.316 7.045 3.335 1.00 0.00 H new ATOM 290 N HIS A 18 2.607 7.772 -0.467 1.00 0.00 N ATOM 291 CA HIS A 18 3.004 8.826 -1.398 1.00 0.00 C ATOM 292 C HIS A 18 2.148 8.877 -2.666 1.00 0.00 C ATOM 293 O HIS A 18 2.406 9.706 -3.539 1.00 0.00 O ATOM 294 CB HIS A 18 4.472 8.647 -1.783 1.00 0.00 C ATOM 295 CG HIS A 18 5.052 9.826 -2.501 1.00 0.00 C ATOM 296 ND1 HIS A 18 5.109 11.090 -1.951 1.00 0.00 N ATOM 297 CD2 HIS A 18 5.605 9.929 -3.733 1.00 0.00 C ATOM 298 CE1 HIS A 18 5.671 11.918 -2.814 1.00 0.00 C ATOM 299 NE2 HIS A 18 5.981 11.238 -3.902 1.00 0.00 N ATOM 0 H HIS A 18 2.969 6.846 -0.694 1.00 0.00 H new ATOM 0 HA HIS A 18 2.852 9.772 -0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.055 8.459 -0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.568 7.764 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.727 9.130 -4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.847 12.972 -2.656 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.428 11.623 -4.734 1.00 0.00 H new ATOM 308 N LEU A 19 1.138 8.018 -2.788 1.00 0.00 N ATOM 309 CA LEU A 19 0.297 8.043 -3.983 1.00 0.00 C ATOM 310 C LEU A 19 -0.650 9.247 -3.926 1.00 0.00 C ATOM 311 O LEU A 19 -1.511 9.322 -3.049 1.00 0.00 O ATOM 312 CB LEU A 19 -0.509 6.748 -4.153 1.00 0.00 C ATOM 313 CG LEU A 19 0.125 5.477 -3.595 1.00 0.00 C ATOM 314 CD1 LEU A 19 -0.943 4.578 -2.983 1.00 0.00 C ATOM 315 CD2 LEU A 19 0.885 4.738 -4.688 1.00 0.00 C ATOM 0 H LEU A 19 0.886 7.314 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 19 0.956 8.131 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.479 6.884 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.695 6.599 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 19 0.832 5.755 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.476 3.675 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.446 5.109 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.671 4.306 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.331 3.834 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.198 4.469 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.671 5.382 -5.084 1.00 0.00 H new ATOM 327 N PRO A 20 -0.486 10.222 -4.843 1.00 0.00 N ATOM 328 CA PRO A 20 -1.312 11.438 -4.868 1.00 0.00 C ATOM 329 C PRO A 20 -2.689 11.252 -5.508 1.00 0.00 C ATOM 330 O PRO A 20 -3.580 12.079 -5.313 1.00 0.00 O ATOM 331 CB PRO A 20 -0.472 12.395 -5.710 1.00 0.00 C ATOM 332 CG PRO A 20 0.260 11.510 -6.658 1.00 0.00 C ATOM 333 CD PRO A 20 0.538 10.234 -5.909 1.00 0.00 C ATOM 0 HA PRO A 20 -1.537 11.779 -3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.099 13.113 -6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.217 12.969 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.336 11.316 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.187 11.977 -6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.451 9.362 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.546 10.224 -5.495 1.00 0.00 H new ATOM 341 N ASN A 21 -2.864 10.188 -6.283 1.00 0.00 N ATOM 342 CA ASN A 21 -4.141 9.945 -6.951 1.00 0.00 C ATOM 343 C ASN A 21 -4.895 8.786 -6.318 1.00 0.00 C ATOM 344 O ASN A 21 -5.650 8.084 -6.986 1.00 0.00 O ATOM 345 CB ASN A 21 -3.930 9.669 -8.444 1.00 0.00 C ATOM 346 CG ASN A 21 -2.769 10.431 -9.028 1.00 0.00 C ATOM 347 OD1 ASN A 21 -2.551 11.603 -8.720 1.00 0.00 O ATOM 348 ND2 ASN A 21 -2.015 9.758 -9.880 1.00 0.00 N ATOM 0 H ASN A 21 -2.147 9.485 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.741 10.848 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.766 8.601 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.838 9.930 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.210 10.209 -10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.238 8.788 -10.102 1.00 0.00 H new ATOM 355 N LEU A 22 -4.688 8.595 -5.030 1.00 0.00 N ATOM 356 CA LEU A 22 -5.345 7.524 -4.304 1.00 0.00 C ATOM 357 C LEU A 22 -6.363 8.063 -3.306 1.00 0.00 C ATOM 358 O LEU A 22 -6.246 9.190 -2.826 1.00 0.00 O ATOM 359 CB LEU A 22 -4.311 6.665 -3.587 1.00 0.00 C ATOM 360 CG LEU A 22 -4.525 5.169 -3.767 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.508 4.589 -4.739 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.464 4.449 -2.430 1.00 0.00 C ATOM 0 H LEU A 22 -4.067 9.170 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.882 6.912 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.318 6.927 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.332 6.900 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.519 5.019 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.681 3.519 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.612 5.077 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.502 4.755 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.620 3.381 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.487 4.611 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.241 4.838 -1.772 1.00 0.00 H new ATOM 374 N ASN A 23 -7.358 7.239 -2.996 1.00 0.00 N ATOM 375 CA ASN A 23 -8.400 7.619 -2.047 1.00 0.00 C ATOM 376 C ASN A 23 -8.174 6.941 -0.699 1.00 0.00 C ATOM 377 O ASN A 23 -7.560 5.877 -0.623 1.00 0.00 O ATOM 378 CB ASN A 23 -9.783 7.256 -2.594 1.00 0.00 C ATOM 379 CG ASN A 23 -9.845 5.841 -3.124 1.00 0.00 C ATOM 380 OD1 ASN A 23 -8.953 5.392 -3.843 1.00 0.00 O ATOM 381 ND2 ASN A 23 -10.906 5.130 -2.769 1.00 0.00 N ATOM 0 H ASN A 23 -7.466 6.303 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.353 8.699 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.525 7.377 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.048 7.951 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.008 4.168 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.621 5.544 -2.171 1.00 0.00 H new ATOM 388 N GLU A 24 -8.663 7.574 0.364 1.00 0.00 N ATOM 389 CA GLU A 24 -8.508 7.048 1.714 1.00 0.00 C ATOM 390 C GLU A 24 -9.031 5.620 1.827 1.00 0.00 C ATOM 391 O GLU A 24 -8.399 4.766 2.447 1.00 0.00 O ATOM 392 CB GLU A 24 -9.233 7.946 2.718 1.00 0.00 C ATOM 393 CG GLU A 24 -8.498 8.098 4.039 1.00 0.00 C ATOM 394 CD GLU A 24 -8.671 9.475 4.648 1.00 0.00 C ATOM 395 OE1 GLU A 24 -9.829 9.923 4.785 1.00 0.00 O ATOM 396 OE2 GLU A 24 -7.648 10.107 4.988 1.00 0.00 O ATOM 0 H GLU A 24 -9.172 8.456 0.314 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.442 7.035 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.375 8.932 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.225 7.537 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.860 7.347 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.437 7.904 3.884 1.00 0.00 H new ATOM 403 N GLU A 25 -10.189 5.369 1.233 1.00 0.00 N ATOM 404 CA GLU A 25 -10.798 4.044 1.276 1.00 0.00 C ATOM 405 C GLU A 25 -9.883 2.997 0.647 1.00 0.00 C ATOM 406 O GLU A 25 -9.646 1.936 1.226 1.00 0.00 O ATOM 407 CB GLU A 25 -12.148 4.058 0.555 1.00 0.00 C ATOM 408 CG GLU A 25 -13.079 2.937 0.985 1.00 0.00 C ATOM 409 CD GLU A 25 -12.734 1.611 0.337 1.00 0.00 C ATOM 410 OE1 GLU A 25 -11.882 0.883 0.889 1.00 0.00 O ATOM 411 OE2 GLU A 25 -13.316 1.299 -0.724 1.00 0.00 O ATOM 0 H GLU A 25 -10.727 6.064 0.715 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.953 3.779 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.637 5.015 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.978 3.986 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.036 2.830 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.105 3.205 0.732 1.00 0.00 H new ATOM 418 N GLN A 26 -9.374 3.303 -0.541 1.00 0.00 N ATOM 419 CA GLN A 26 -8.489 2.389 -1.249 1.00 0.00 C ATOM 420 C GLN A 26 -7.136 2.284 -0.554 1.00 0.00 C ATOM 421 O GLN A 26 -6.643 1.184 -0.299 1.00 0.00 O ATOM 422 CB GLN A 26 -8.299 2.842 -2.698 1.00 0.00 C ATOM 423 CG GLN A 26 -7.946 1.709 -3.648 1.00 0.00 C ATOM 424 CD GLN A 26 -8.642 1.833 -4.989 1.00 0.00 C ATOM 425 OE1 GLN A 26 -7.932 2.368 -5.976 1.00 0.00 O flip ATOM 426 NE2 GLN A 26 -9.803 1.452 -5.137 1.00 0.00 N flip ATOM 0 H GLN A 26 -9.560 4.177 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.954 1.403 -1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.215 3.322 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.511 3.594 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.867 1.693 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.216 0.758 -3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.311 1.047 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.257 1.541 -6.046 1.00 0.00 H new ATOM 435 N ARG A 27 -6.540 3.431 -0.243 1.00 0.00 N ATOM 436 CA ARG A 27 -5.251 3.459 0.426 1.00 0.00 C ATOM 437 C ARG A 27 -5.344 2.763 1.778 1.00 0.00 C ATOM 438 O ARG A 27 -4.389 2.134 2.232 1.00 0.00 O ATOM 439 CB ARG A 27 -4.789 4.906 0.602 1.00 0.00 C ATOM 440 CG ARG A 27 -3.276 5.075 0.598 1.00 0.00 C ATOM 441 CD ARG A 27 -2.670 4.812 1.967 1.00 0.00 C ATOM 442 NE ARG A 27 -3.398 5.498 3.032 1.00 0.00 N ATOM 443 CZ ARG A 27 -3.245 6.788 3.323 1.00 0.00 C ATOM 444 NH1 ARG A 27 -2.394 7.536 2.631 1.00 0.00 N ATOM 445 NH2 ARG A 27 -3.944 7.332 4.309 1.00 0.00 N ATOM 0 H ARG A 27 -6.932 4.351 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.521 2.928 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.215 5.513 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.185 5.292 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.837 4.393 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.025 6.087 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.669 3.740 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.630 5.138 1.971 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.062 4.957 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.853 7.123 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.281 8.524 2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.599 6.762 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.827 8.320 4.532 1.00 0.00 H new ATOM 459 N ASN A 28 -6.509 2.867 2.411 1.00 0.00 N ATOM 460 CA ASN A 28 -6.730 2.237 3.704 1.00 0.00 C ATOM 461 C ASN A 28 -6.806 0.723 3.551 1.00 0.00 C ATOM 462 O ASN A 28 -6.140 -0.015 4.276 1.00 0.00 O ATOM 463 CB ASN A 28 -8.013 2.765 4.348 1.00 0.00 C ATOM 464 CG ASN A 28 -8.242 2.189 5.732 1.00 0.00 C ATOM 465 OD1 ASN A 28 -7.294 1.915 6.468 1.00 0.00 O ATOM 466 ND2 ASN A 28 -9.506 2.002 6.093 1.00 0.00 N ATOM 0 H ASN A 28 -7.312 3.381 2.048 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.889 2.483 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.963 3.852 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.863 2.522 3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.722 1.617 7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.261 2.243 5.451 1.00 0.00 H new ATOM 473 N ALA A 29 -7.611 0.262 2.593 1.00 0.00 N ATOM 474 CA ALA A 29 -7.750 -1.169 2.350 1.00 0.00 C ATOM 475 C ALA A 29 -6.385 -1.791 2.083 1.00 0.00 C ATOM 476 O ALA A 29 -6.053 -2.857 2.606 1.00 0.00 O ATOM 477 CB ALA A 29 -8.700 -1.430 1.191 1.00 0.00 C ATOM 0 H ALA A 29 -8.171 0.854 1.979 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.174 -1.633 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.788 -2.504 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.681 -1.016 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.312 -0.957 0.289 1.00 0.00 H new ATOM 483 N PHE A 30 -5.586 -1.089 1.286 1.00 0.00 N ATOM 484 CA PHE A 30 -4.238 -1.531 0.963 1.00 0.00 C ATOM 485 C PHE A 30 -3.391 -1.647 2.216 1.00 0.00 C ATOM 486 O PHE A 30 -2.841 -2.707 2.512 1.00 0.00 O ATOM 487 CB PHE A 30 -3.579 -0.555 -0.006 1.00 0.00 C ATOM 488 CG PHE A 30 -3.917 -0.810 -1.447 1.00 0.00 C ATOM 489 CD1 PHE A 30 -3.890 -2.098 -1.957 1.00 0.00 C ATOM 490 CD2 PHE A 30 -4.252 0.235 -2.293 1.00 0.00 C ATOM 491 CE1 PHE A 30 -4.189 -2.341 -3.282 1.00 0.00 C ATOM 492 CE2 PHE A 30 -4.554 -0.003 -3.621 1.00 0.00 C ATOM 493 CZ PHE A 30 -4.522 -1.293 -4.116 1.00 0.00 C ATOM 0 H PHE A 30 -5.853 -0.206 0.850 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.310 -2.513 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.880 0.460 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.497 -0.608 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.632 -2.922 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.277 1.245 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.162 -3.350 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.815 0.819 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.757 -1.481 -5.153 1.00 0.00 H new ATOM 503 N ILE A 31 -3.307 -0.556 2.964 1.00 0.00 N ATOM 504 CA ILE A 31 -2.541 -0.545 4.203 1.00 0.00 C ATOM 505 C ILE A 31 -2.951 -1.718 5.088 1.00 0.00 C ATOM 506 O ILE A 31 -2.109 -2.351 5.726 1.00 0.00 O ATOM 507 CB ILE A 31 -2.734 0.783 4.969 1.00 0.00 C ATOM 508 CG1 ILE A 31 -2.028 1.925 4.233 1.00 0.00 C ATOM 509 CG2 ILE A 31 -2.215 0.670 6.397 1.00 0.00 C ATOM 510 CD1 ILE A 31 -0.555 1.673 3.998 1.00 0.00 C ATOM 0 H ILE A 31 -3.758 0.330 2.736 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.486 -0.640 3.945 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.801 0.999 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.519 2.086 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.144 2.844 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.363 1.618 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.758 -0.117 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.152 0.428 6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.120 2.523 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.051 1.542 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.431 0.772 3.397 1.00 0.00 H new ATOM 522 N GLN A 32 -4.247 -2.013 5.115 1.00 0.00 N ATOM 523 CA GLN A 32 -4.751 -3.120 5.916 1.00 0.00 C ATOM 524 C GLN A 32 -4.335 -4.448 5.293 1.00 0.00 C ATOM 525 O GLN A 32 -4.115 -5.439 5.991 1.00 0.00 O ATOM 526 CB GLN A 32 -6.274 -3.044 6.037 1.00 0.00 C ATOM 527 CG GLN A 32 -6.821 -3.723 7.282 1.00 0.00 C ATOM 528 CD GLN A 32 -6.485 -2.969 8.553 1.00 0.00 C ATOM 529 OE1 GLN A 32 -5.584 -2.130 8.572 1.00 0.00 O ATOM 530 NE2 GLN A 32 -7.209 -3.267 9.625 1.00 0.00 N ATOM 0 H GLN A 32 -4.962 -1.504 4.595 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.323 -3.050 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.578 -1.997 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.723 -3.503 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.904 -3.816 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.418 -4.734 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.946 -3.969 9.563 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.028 -2.794 10.510 1.00 0.00 H new ATOM 539 N SER A 33 -4.218 -4.456 3.969 1.00 0.00 N ATOM 540 CA SER A 33 -3.818 -5.657 3.253 1.00 0.00 C ATOM 541 C SER A 33 -2.364 -5.991 3.550 1.00 0.00 C ATOM 542 O SER A 33 -2.020 -7.137 3.841 1.00 0.00 O ATOM 543 CB SER A 33 -4.026 -5.486 1.749 1.00 0.00 C ATOM 544 OG SER A 33 -4.313 -6.727 1.128 1.00 0.00 O ATOM 0 H SER A 33 -4.394 -3.646 3.374 1.00 0.00 H new ATOM 0 HA SER A 33 -4.444 -6.482 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.844 -4.788 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.132 -5.051 1.303 1.00 0.00 H new ATOM 0 HG SER A 33 -4.443 -6.589 0.167 1.00 0.00 H new ATOM 550 N LEU A 34 -1.515 -4.967 3.485 1.00 0.00 N ATOM 551 CA LEU A 34 -0.096 -5.133 3.757 1.00 0.00 C ATOM 552 C LEU A 34 0.124 -5.391 5.240 1.00 0.00 C ATOM 553 O LEU A 34 1.043 -6.113 5.626 1.00 0.00 O ATOM 554 CB LEU A 34 0.701 -3.903 3.306 1.00 0.00 C ATOM 555 CG LEU A 34 0.163 -2.551 3.778 1.00 0.00 C ATOM 556 CD1 LEU A 34 0.751 -2.184 5.132 1.00 0.00 C ATOM 557 CD2 LEU A 34 0.475 -1.472 2.752 1.00 0.00 C ATOM 0 H LEU A 34 -1.789 -4.014 3.246 1.00 0.00 H new ATOM 0 HA LEU A 34 0.262 -5.992 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.727 -4.008 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.739 -3.897 2.217 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.919 -2.628 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.356 -1.219 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.482 -2.946 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.836 -2.124 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.086 -0.515 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.554 -1.398 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.008 -1.728 1.801 1.00 0.00 H new ATOM 569 N LYS A 35 -0.739 -4.809 6.070 1.00 0.00 N ATOM 570 CA LYS A 35 -0.648 -4.995 7.506 1.00 0.00 C ATOM 571 C LYS A 35 -1.208 -6.360 7.903 1.00 0.00 C ATOM 572 O LYS A 35 -0.843 -6.917 8.938 1.00 0.00 O ATOM 573 CB LYS A 35 -1.371 -3.864 8.255 1.00 0.00 C ATOM 574 CG LYS A 35 -2.838 -4.141 8.551 1.00 0.00 C ATOM 575 CD LYS A 35 -3.009 -4.919 9.846 1.00 0.00 C ATOM 576 CE LYS A 35 -4.067 -6.004 9.711 1.00 0.00 C ATOM 577 NZ LYS A 35 -5.100 -5.909 10.780 1.00 0.00 N ATOM 0 H LYS A 35 -1.505 -4.207 5.768 1.00 0.00 H new ATOM 0 HA LYS A 35 0.404 -4.961 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.852 -3.678 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.299 -2.950 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.381 -3.198 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.276 -4.704 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.058 -5.370 10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.288 -4.235 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.546 -5.924 8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.590 -6.983 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.802 -6.666 10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.647 -6.010 11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.573 -4.985 10.724 1.00 0.00 H new ATOM 591 N ASP A 36 -2.096 -6.897 7.061 1.00 0.00 N ATOM 592 CA ASP A 36 -2.700 -8.198 7.315 1.00 0.00 C ATOM 593 C ASP A 36 -1.797 -9.325 6.818 1.00 0.00 C ATOM 594 O ASP A 36 -1.616 -10.335 7.498 1.00 0.00 O ATOM 595 CB ASP A 36 -4.068 -8.289 6.636 1.00 0.00 C ATOM 596 CG ASP A 36 -4.823 -9.546 7.022 1.00 0.00 C ATOM 597 OD1 ASP A 36 -4.277 -10.651 6.821 1.00 0.00 O ATOM 598 OD2 ASP A 36 -5.960 -9.425 7.524 1.00 0.00 O ATOM 0 H ASP A 36 -2.409 -6.448 6.200 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.828 -8.307 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.662 -7.415 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.936 -8.266 5.554 1.00 0.00 H new ATOM 603 N ASP A 37 -1.234 -9.144 5.623 1.00 0.00 N ATOM 604 CA ASP A 37 -0.352 -10.145 5.028 1.00 0.00 C ATOM 605 C ASP A 37 0.824 -9.481 4.300 1.00 0.00 C ATOM 606 O ASP A 37 0.621 -8.713 3.360 1.00 0.00 O ATOM 607 CB ASP A 37 -1.138 -11.021 4.053 1.00 0.00 C ATOM 608 CG ASP A 37 -0.289 -12.121 3.447 1.00 0.00 C ATOM 609 OD1 ASP A 37 0.664 -11.797 2.707 1.00 0.00 O ATOM 610 OD2 ASP A 37 -0.577 -13.308 3.711 1.00 0.00 O ATOM 0 H ASP A 37 -1.374 -8.313 5.049 1.00 0.00 H new ATOM 0 HA ASP A 37 0.048 -10.765 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.987 -11.466 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.543 -10.398 3.256 1.00 0.00 H new ATOM 615 N PRO A 38 2.073 -9.767 4.724 1.00 0.00 N ATOM 616 CA PRO A 38 3.270 -9.193 4.109 1.00 0.00 C ATOM 617 C PRO A 38 3.747 -9.974 2.888 1.00 0.00 C ATOM 618 O PRO A 38 4.423 -9.430 2.015 1.00 0.00 O ATOM 619 CB PRO A 38 4.330 -9.283 5.215 1.00 0.00 C ATOM 620 CG PRO A 38 3.743 -10.120 6.316 1.00 0.00 C ATOM 621 CD PRO A 38 2.423 -10.661 5.831 1.00 0.00 C ATOM 0 HA PRO A 38 3.076 -8.182 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.247 -9.733 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.590 -8.290 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.417 -10.936 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.603 -9.522 7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.511 -11.696 5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.668 -10.641 6.617 1.00 0.00 H new ATOM 629 N SER A 39 3.405 -11.253 2.842 1.00 0.00 N ATOM 630 CA SER A 39 3.811 -12.119 1.741 1.00 0.00 C ATOM 631 C SER A 39 3.262 -11.642 0.395 1.00 0.00 C ATOM 632 O SER A 39 3.693 -12.121 -0.654 1.00 0.00 O ATOM 633 CB SER A 39 3.353 -13.554 2.004 1.00 0.00 C ATOM 634 OG SER A 39 4.059 -14.122 3.094 1.00 0.00 O ATOM 0 H SER A 39 2.845 -11.717 3.557 1.00 0.00 H new ATOM 0 HA SER A 39 4.899 -12.081 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.283 -13.565 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.509 -14.159 1.111 1.00 0.00 H new ATOM 0 HG SER A 39 3.747 -15.039 3.244 1.00 0.00 H new ATOM 640 N GLN A 40 2.307 -10.714 0.416 1.00 0.00 N ATOM 641 CA GLN A 40 1.718 -10.215 -0.825 1.00 0.00 C ATOM 642 C GLN A 40 1.824 -8.695 -0.944 1.00 0.00 C ATOM 643 O GLN A 40 0.943 -8.046 -1.508 1.00 0.00 O ATOM 644 CB GLN A 40 0.252 -10.640 -0.917 1.00 0.00 C ATOM 645 CG GLN A 40 0.063 -12.132 -1.140 1.00 0.00 C ATOM 646 CD GLN A 40 -1.139 -12.684 -0.401 1.00 0.00 C ATOM 647 OE1 GLN A 40 -2.198 -12.057 -0.359 1.00 0.00 O ATOM 648 NE2 GLN A 40 -0.982 -13.864 0.188 1.00 0.00 N ATOM 0 H GLN A 40 1.929 -10.297 1.266 1.00 0.00 H new ATOM 0 HA GLN A 40 2.282 -10.650 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.260 -10.351 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.225 -10.096 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.051 -12.325 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.959 -12.661 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.087 -14.349 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.757 -14.285 0.701 1.00 0.00 H new ATOM 657 N SER A 41 2.905 -8.132 -0.411 1.00 0.00 N ATOM 658 CA SER A 41 3.120 -6.690 -0.462 1.00 0.00 C ATOM 659 C SER A 41 3.405 -6.228 -1.890 1.00 0.00 C ATOM 660 O SER A 41 2.700 -5.369 -2.422 1.00 0.00 O ATOM 661 CB SER A 41 4.277 -6.291 0.457 1.00 0.00 C ATOM 662 OG SER A 41 4.012 -5.060 1.107 1.00 0.00 O ATOM 0 H SER A 41 3.645 -8.652 0.061 1.00 0.00 H new ATOM 0 HA SER A 41 2.208 -6.202 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.440 -7.071 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.195 -6.208 -0.124 1.00 0.00 H new ATOM 0 HG SER A 41 4.853 -4.670 1.425 1.00 0.00 H new ATOM 668 N ALA A 42 4.434 -6.796 -2.514 1.00 0.00 N ATOM 669 CA ALA A 42 4.786 -6.427 -3.884 1.00 0.00 C ATOM 670 C ALA A 42 3.554 -6.434 -4.786 1.00 0.00 C ATOM 671 O ALA A 42 3.435 -5.609 -5.694 1.00 0.00 O ATOM 672 CB ALA A 42 5.858 -7.358 -4.430 1.00 0.00 C ATOM 0 H ALA A 42 5.035 -7.508 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 42 5.186 -5.413 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.107 -7.067 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.750 -7.292 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.487 -8.383 -4.425 1.00 0.00 H new ATOM 678 N ASN A 43 2.630 -7.350 -4.520 1.00 0.00 N ATOM 679 CA ASN A 43 1.402 -7.433 -5.301 1.00 0.00 C ATOM 680 C ASN A 43 0.531 -6.214 -5.021 1.00 0.00 C ATOM 681 O ASN A 43 -0.123 -5.676 -5.915 1.00 0.00 O ATOM 682 CB ASN A 43 0.638 -8.715 -4.967 1.00 0.00 C ATOM 683 CG ASN A 43 -0.501 -8.978 -5.934 1.00 0.00 C ATOM 684 OD1 ASN A 43 -1.665 -8.724 -5.623 1.00 0.00 O ATOM 685 ND2 ASN A 43 -0.170 -9.490 -7.114 1.00 0.00 N ATOM 0 H ASN A 43 2.707 -8.042 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 43 1.660 -7.454 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.327 -9.560 -4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.242 -8.645 -3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.894 -9.688 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.808 -9.685 -7.329 1.00 0.00 H new ATOM 692 N LEU A 44 0.553 -5.777 -3.764 1.00 0.00 N ATOM 693 CA LEU A 44 -0.206 -4.614 -3.326 1.00 0.00 C ATOM 694 C LEU A 44 0.412 -3.333 -3.862 1.00 0.00 C ATOM 695 O LEU A 44 -0.257 -2.309 -4.001 1.00 0.00 O ATOM 696 CB LEU A 44 -0.238 -4.558 -1.802 1.00 0.00 C ATOM 697 CG LEU A 44 -0.844 -3.282 -1.213 1.00 0.00 C ATOM 698 CD1 LEU A 44 -1.659 -3.600 0.027 1.00 0.00 C ATOM 699 CD2 LEU A 44 0.248 -2.274 -0.891 1.00 0.00 C ATOM 0 H LEU A 44 1.097 -6.220 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.221 -4.705 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.804 -5.414 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.780 -4.664 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.510 -2.843 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.081 -2.680 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.465 -4.286 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.017 -4.063 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.201 -1.373 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.939 -2.705 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.790 -2.021 -1.802 1.00 0.00 H new ATOM 711 N LEU A 45 1.698 -3.410 -4.161 1.00 0.00 N ATOM 712 CA LEU A 45 2.435 -2.276 -4.686 1.00 0.00 C ATOM 713 C LEU A 45 2.020 -2.077 -6.114 1.00 0.00 C ATOM 714 O LEU A 45 1.529 -1.021 -6.508 1.00 0.00 O ATOM 715 CB LEU A 45 3.935 -2.549 -4.632 1.00 0.00 C ATOM 716 CG LEU A 45 4.816 -1.311 -4.449 1.00 0.00 C ATOM 717 CD1 LEU A 45 4.370 -0.513 -3.234 1.00 0.00 C ATOM 718 CD2 LEU A 45 6.278 -1.711 -4.319 1.00 0.00 C ATOM 0 H LEU A 45 2.257 -4.256 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 45 2.222 -1.388 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.133 -3.241 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.230 -3.052 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 45 4.710 -0.680 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.008 0.363 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.336 -0.194 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.446 -1.135 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.889 -0.818 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.401 -2.364 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.592 -2.239 -5.220 1.00 0.00 H new ATOM 730 N ALA A 46 2.212 -3.133 -6.877 1.00 0.00 N ATOM 731 CA ALA A 46 1.847 -3.128 -8.279 1.00 0.00 C ATOM 732 C ALA A 46 0.355 -2.867 -8.430 1.00 0.00 C ATOM 733 O ALA A 46 -0.093 -2.269 -9.410 1.00 0.00 O ATOM 734 CB ALA A 46 2.232 -4.443 -8.939 1.00 0.00 C ATOM 0 H ALA A 46 2.620 -4.008 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 46 2.393 -2.328 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.949 -4.418 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.309 -4.590 -8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.714 -5.264 -8.443 1.00 0.00 H new ATOM 740 N GLU A 47 -0.413 -3.326 -7.438 1.00 0.00 N ATOM 741 CA GLU A 47 -1.863 -3.149 -7.449 1.00 0.00 C ATOM 742 C GLU A 47 -2.239 -1.712 -7.133 1.00 0.00 C ATOM 743 O GLU A 47 -2.955 -1.063 -7.897 1.00 0.00 O ATOM 744 CB GLU A 47 -2.529 -4.090 -6.442 1.00 0.00 C ATOM 745 CG GLU A 47 -3.042 -5.381 -7.057 1.00 0.00 C ATOM 746 CD GLU A 47 -3.992 -5.138 -8.214 1.00 0.00 C ATOM 747 OE1 GLU A 47 -5.026 -4.470 -8.002 1.00 0.00 O ATOM 748 OE2 GLU A 47 -3.702 -5.615 -9.331 1.00 0.00 O ATOM 0 H GLU A 47 -0.054 -3.821 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.218 -3.390 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.813 -4.332 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.360 -3.569 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.197 -5.975 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.550 -5.967 -6.291 1.00 0.00 H new ATOM 755 N ALA A 48 -1.736 -1.214 -6.016 1.00 0.00 N ATOM 756 CA ALA A 48 -2.002 0.156 -5.613 1.00 0.00 C ATOM 757 C ALA A 48 -1.409 1.118 -6.629 1.00 0.00 C ATOM 758 O ALA A 48 -1.869 2.250 -6.773 1.00 0.00 O ATOM 759 CB ALA A 48 -1.443 0.425 -4.225 1.00 0.00 C ATOM 0 H ALA A 48 -1.142 -1.737 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.081 0.309 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.653 1.456 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.910 -0.250 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.365 0.262 -4.229 1.00 0.00 H new ATOM 765 N LYS A 49 -0.396 0.650 -7.348 1.00 0.00 N ATOM 766 CA LYS A 49 0.248 1.448 -8.366 1.00 0.00 C ATOM 767 C LYS A 49 -0.638 1.526 -9.602 1.00 0.00 C ATOM 768 O LYS A 49 -0.855 2.603 -10.164 1.00 0.00 O ATOM 769 CB LYS A 49 1.600 0.836 -8.730 1.00 0.00 C ATOM 770 CG LYS A 49 2.368 1.629 -9.776 1.00 0.00 C ATOM 771 CD LYS A 49 3.540 2.378 -9.162 1.00 0.00 C ATOM 772 CE LYS A 49 3.077 3.609 -8.400 1.00 0.00 C ATOM 773 NZ LYS A 49 2.688 4.717 -9.316 1.00 0.00 N ATOM 0 H LYS A 49 -0.006 -0.286 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 49 0.407 2.455 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.208 0.757 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.443 -0.178 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.732 0.954 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.697 2.338 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.084 1.715 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.235 2.675 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.229 3.346 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.875 3.948 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.674 5.614 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.376 4.783 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.742 4.529 -9.706 1.00 0.00 H new ATOM 787 N LYS A 50 -1.167 0.372 -10.007 1.00 0.00 N ATOM 788 CA LYS A 50 -2.044 0.303 -11.161 1.00 0.00 C ATOM 789 C LYS A 50 -3.328 1.061 -10.866 1.00 0.00 C ATOM 790 O LYS A 50 -3.864 1.764 -11.722 1.00 0.00 O ATOM 791 CB LYS A 50 -2.331 -1.165 -11.518 1.00 0.00 C ATOM 792 CG LYS A 50 -3.742 -1.427 -12.026 1.00 0.00 C ATOM 793 CD LYS A 50 -4.728 -1.568 -10.877 1.00 0.00 C ATOM 794 CE LYS A 50 -5.372 -2.946 -10.856 1.00 0.00 C ATOM 795 NZ LYS A 50 -6.718 -2.940 -11.491 1.00 0.00 N ATOM 0 H LYS A 50 -1.000 -0.524 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.559 0.766 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.619 -1.487 -12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.156 -1.781 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.054 -0.610 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.751 -2.335 -12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.214 -1.392 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.502 -0.806 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.728 -3.655 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.458 -3.291 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.123 -3.897 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.340 -2.282 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.633 -2.636 -12.482 1.00 0.00 H new ATOM 809 N LEU A 51 -3.810 0.910 -9.637 1.00 0.00 N ATOM 810 CA LEU A 51 -5.027 1.577 -9.215 1.00 0.00 C ATOM 811 C LEU A 51 -4.830 3.085 -9.182 1.00 0.00 C ATOM 812 O LEU A 51 -5.603 3.829 -9.779 1.00 0.00 O ATOM 813 CB LEU A 51 -5.470 1.072 -7.842 1.00 0.00 C ATOM 814 CG LEU A 51 -6.125 -0.309 -7.844 1.00 0.00 C ATOM 815 CD1 LEU A 51 -6.629 -0.660 -6.453 1.00 0.00 C ATOM 816 CD2 LEU A 51 -7.263 -0.363 -8.855 1.00 0.00 C ATOM 0 H LEU A 51 -3.374 0.331 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.808 1.345 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.602 1.045 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.171 1.790 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.375 -1.044 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.093 -1.646 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.793 -0.665 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.363 0.080 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.716 -1.354 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.015 0.383 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.874 -0.156 -9.852 1.00 0.00 H new ATOM 828 N ASN A 52 -3.777 3.527 -8.494 1.00 0.00 N ATOM 829 CA ASN A 52 -3.470 4.942 -8.391 1.00 0.00 C ATOM 830 C ASN A 52 -3.329 5.575 -9.762 1.00 0.00 C ATOM 831 O ASN A 52 -3.756 6.707 -9.990 1.00 0.00 O ATOM 832 CB ASN A 52 -2.215 5.146 -7.597 1.00 0.00 C ATOM 833 CG ASN A 52 -2.137 6.516 -6.979 1.00 0.00 C ATOM 834 OD1 ASN A 52 -2.984 6.900 -6.175 1.00 0.00 O ATOM 835 ND2 ASN A 52 -1.111 7.263 -7.351 1.00 0.00 N ATOM 0 H ASN A 52 -3.124 2.918 -8.000 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.299 5.428 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.161 4.393 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.351 4.994 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.998 8.201 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.433 6.901 -8.022 1.00 0.00 H new ATOM 842 N ASP A 53 -2.731 4.832 -10.672 1.00 0.00 N ATOM 843 CA ASP A 53 -2.535 5.307 -12.035 1.00 0.00 C ATOM 844 C ASP A 53 -3.837 5.243 -12.828 1.00 0.00 C ATOM 845 O ASP A 53 -4.091 6.069 -13.705 1.00 0.00 O ATOM 846 CB ASP A 53 -1.475 4.459 -12.733 1.00 0.00 C ATOM 847 CG ASP A 53 -0.139 4.493 -12.018 1.00 0.00 C ATOM 848 OD1 ASP A 53 -0.110 4.879 -10.830 1.00 0.00 O ATOM 849 OD2 ASP A 53 0.880 4.135 -12.646 1.00 0.00 O ATOM 0 H ASP A 53 -2.370 3.894 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.205 6.345 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.823 3.428 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.345 4.815 -13.755 1.00 0.00 H new ATOM 854 N ALA A 54 -4.643 4.234 -12.520 1.00 0.00 N ATOM 855 CA ALA A 54 -5.916 4.012 -13.200 1.00 0.00 C ATOM 856 C ALA A 54 -6.950 5.102 -12.911 1.00 0.00 C ATOM 857 O ALA A 54 -7.800 5.386 -13.755 1.00 0.00 O ATOM 858 CB ALA A 54 -6.476 2.651 -12.819 1.00 0.00 C ATOM 0 H ALA A 54 -4.435 3.548 -11.794 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.712 4.048 -14.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.426 2.492 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.772 1.873 -13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.633 2.611 -11.741 1.00 0.00 H new ATOM 864 N GLN A 55 -6.886 5.720 -11.733 1.00 0.00 N ATOM 865 CA GLN A 55 -7.840 6.777 -11.392 1.00 0.00 C ATOM 866 C GLN A 55 -7.221 8.159 -11.588 1.00 0.00 C ATOM 867 O GLN A 55 -7.682 9.142 -11.006 1.00 0.00 O ATOM 868 CB GLN A 55 -8.366 6.645 -9.950 1.00 0.00 C ATOM 869 CG GLN A 55 -7.882 5.417 -9.196 1.00 0.00 C ATOM 870 CD GLN A 55 -6.647 5.690 -8.387 1.00 0.00 C ATOM 871 OE1 GLN A 55 -5.818 6.515 -8.761 1.00 0.00 O ATOM 872 NE2 GLN A 55 -6.524 4.996 -7.267 1.00 0.00 N ATOM 0 H GLN A 55 -6.197 5.513 -11.009 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.685 6.662 -12.071 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.074 7.534 -9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.456 6.629 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.674 5.064 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.678 4.616 -9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.243 4.322 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.710 5.135 -6.668 1.00 0.00 H new ATOM 881 N ALA A 56 -6.174 8.231 -12.405 1.00 0.00 N ATOM 882 CA ALA A 56 -5.497 9.495 -12.667 1.00 0.00 C ATOM 883 C ALA A 56 -6.372 10.425 -13.504 1.00 0.00 C ATOM 884 O ALA A 56 -7.396 10.008 -14.044 1.00 0.00 O ATOM 885 CB ALA A 56 -4.168 9.247 -13.365 1.00 0.00 C ATOM 0 H ALA A 56 -5.777 7.430 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.307 9.982 -11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.673 10.200 -13.555 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.533 8.629 -12.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.344 8.735 -14.311 1.00 0.00 H new ATOM 891 N PRO A 57 -5.977 11.705 -13.623 1.00 0.00 N ATOM 892 CA PRO A 57 -6.729 12.696 -14.399 1.00 0.00 C ATOM 893 C PRO A 57 -7.059 12.202 -15.803 1.00 0.00 C ATOM 894 O PRO A 57 -6.250 11.529 -16.442 1.00 0.00 O ATOM 895 CB PRO A 57 -5.779 13.893 -14.462 1.00 0.00 C ATOM 896 CG PRO A 57 -4.927 13.762 -13.248 1.00 0.00 C ATOM 897 CD PRO A 57 -4.766 12.286 -13.011 1.00 0.00 C ATOM 0 HA PRO A 57 -7.693 12.924 -13.944 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.178 13.875 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.328 14.835 -14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.959 14.241 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.393 14.246 -12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.858 11.902 -13.475 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.703 12.055 -11.948 1.00 0.00 H new ATOM 905 N LYS A 58 -8.253 12.540 -16.277 1.00 0.00 N ATOM 906 CA LYS A 58 -8.691 12.131 -17.606 1.00 0.00 C ATOM 907 C LYS A 58 -8.300 13.170 -18.652 1.00 0.00 C ATOM 908 O LYS A 58 -8.081 14.338 -18.330 1.00 0.00 O ATOM 909 CB LYS A 58 -10.206 11.918 -17.623 1.00 0.00 C ATOM 910 CG LYS A 58 -10.673 10.795 -16.712 1.00 0.00 C ATOM 911 CD LYS A 58 -11.137 11.326 -15.365 1.00 0.00 C ATOM 912 CE LYS A 58 -11.128 10.238 -14.304 1.00 0.00 C ATOM 913 NZ LYS A 58 -12.098 10.520 -13.210 1.00 0.00 N ATOM 0 H LYS A 58 -8.935 13.096 -15.761 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.196 11.191 -17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.698 12.844 -17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.523 11.702 -18.643 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.488 10.252 -17.191 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.860 10.084 -16.564 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.489 12.145 -15.053 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.143 11.734 -15.461 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.369 9.280 -14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.126 10.147 -13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.061 9.754 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.853 11.422 -12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.058 10.581 -13.605 1.00 0.00 H new TER 927 LYS A 58