USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 271 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 4 GLN : amide:sc= -0.524 K(o=-0.66,f=-1.2) USER MOD Set 1.2: A 7 HIS : no HD1:sc= -0.131 X(o=-0.66,f=-0.92) USER MOD Single : A 6 MET CE :methyl -151:sc= -0.169 (180deg=-0.358) USER MOD Single : A 8 ASN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -0.173 (180deg=-0.182) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.193 K(o=0.19,f=-6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= 0.111 (180deg=-1.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.14 K(o=0.14,f=-4.7!) USER MOD Single : A 30 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-11!) USER MOD Single : A 31 ASN : amide:sc= -0.787 X(o=-0.79,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 -7.689 2.852 -8.186 1.00 0.00 N ATOM 13 CA GLU A 2 -7.646 3.764 -6.985 1.00 0.00 C ATOM 14 C GLU A 2 -8.880 3.508 -6.092 1.00 0.00 C ATOM 15 O GLU A 2 -8.762 2.839 -5.082 1.00 0.00 O ATOM 16 CB GLU A 2 -7.553 5.250 -7.416 1.00 0.00 C ATOM 17 CG GLU A 2 -6.863 6.084 -6.319 1.00 0.00 C ATOM 18 CD GLU A 2 -7.786 6.239 -5.097 1.00 0.00 C ATOM 19 OE1 GLU A 2 -8.808 6.896 -5.221 1.00 0.00 O ATOM 20 OE2 GLU A 2 -7.450 5.693 -4.059 1.00 0.00 O ATOM 0 HA GLU A 2 -6.749 3.544 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.995 5.331 -8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.551 5.643 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.932 5.603 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.602 7.067 -6.712 1.00 0.00 H new ATOM 27 N ILE A 3 -10.057 4.006 -6.466 1.00 0.00 N ATOM 28 CA ILE A 3 -11.309 3.774 -5.645 1.00 0.00 C ATOM 29 C ILE A 3 -11.626 2.261 -5.639 1.00 0.00 C ATOM 30 O ILE A 3 -11.220 1.548 -6.544 1.00 0.00 O ATOM 31 CB ILE A 3 -12.500 4.573 -6.237 1.00 0.00 C ATOM 32 CG1 ILE A 3 -12.103 6.047 -6.465 1.00 0.00 C ATOM 33 CG2 ILE A 3 -13.688 4.536 -5.265 1.00 0.00 C ATOM 34 CD1 ILE A 3 -12.099 6.358 -7.965 1.00 0.00 C ATOM 0 H ILE A 3 -10.200 4.564 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.147 4.119 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.775 4.117 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.803 6.705 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.116 6.237 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -14.521 5.099 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.994 3.502 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -13.394 4.981 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.818 7.400 -8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.382 5.710 -8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.094 6.186 -8.375 1.00 0.00 H new ATOM 46 N GLN A 4 -12.303 1.772 -4.596 1.00 0.00 N ATOM 47 CA GLN A 4 -12.636 0.294 -4.434 1.00 0.00 C ATOM 48 C GLN A 4 -11.370 -0.435 -3.947 1.00 0.00 C ATOM 49 O GLN A 4 -11.373 -1.016 -2.875 1.00 0.00 O ATOM 50 CB GLN A 4 -13.176 -0.358 -5.733 1.00 0.00 C ATOM 51 CG GLN A 4 -14.708 -0.229 -5.791 1.00 0.00 C ATOM 52 CD GLN A 4 -15.118 1.237 -5.994 1.00 0.00 C ATOM 53 OE1 GLN A 4 -15.730 1.828 -5.129 1.00 0.00 O ATOM 54 NE2 GLN A 4 -14.808 1.857 -7.104 1.00 0.00 N ATOM 0 H GLN A 4 -12.646 2.354 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.441 0.206 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.729 0.123 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.890 -1.409 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.099 -0.838 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.146 -0.611 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.294 1.367 -7.836 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.081 2.831 -7.238 1.00 0.00 H new ATOM 63 N LEU A 5 -10.275 -0.357 -4.699 1.00 0.00 N ATOM 64 CA LEU A 5 -8.976 -0.982 -4.264 1.00 0.00 C ATOM 65 C LEU A 5 -8.553 -0.322 -2.934 1.00 0.00 C ATOM 66 O LEU A 5 -8.188 -1.002 -1.990 1.00 0.00 O ATOM 67 CB LEU A 5 -7.889 -0.725 -5.326 1.00 0.00 C ATOM 68 CG LEU A 5 -8.211 -1.493 -6.621 1.00 0.00 C ATOM 69 CD1 LEU A 5 -8.547 -0.502 -7.742 1.00 0.00 C ATOM 70 CD2 LEU A 5 -6.997 -2.328 -7.040 1.00 0.00 C ATOM 0 H LEU A 5 -10.234 0.118 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.100 -2.058 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.822 0.342 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.917 -1.036 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.064 -2.147 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.774 -1.050 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.412 0.095 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.694 0.155 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.228 -2.871 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.145 -1.670 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.753 -3.038 -6.250 1.00 0.00 H new ATOM 82 N MET A 6 -8.651 1.003 -2.855 1.00 0.00 N ATOM 83 CA MET A 6 -8.311 1.738 -1.590 1.00 0.00 C ATOM 84 C MET A 6 -9.396 1.472 -0.522 1.00 0.00 C ATOM 85 O MET A 6 -9.088 1.416 0.647 1.00 0.00 O ATOM 86 CB MET A 6 -8.185 3.260 -1.856 1.00 0.00 C ATOM 87 CG MET A 6 -9.506 3.862 -2.383 1.00 0.00 C ATOM 88 SD MET A 6 -10.056 5.192 -1.287 1.00 0.00 S ATOM 89 CE MET A 6 -10.971 6.143 -2.530 1.00 0.00 C ATOM 0 H MET A 6 -8.955 1.601 -3.624 1.00 0.00 H new ATOM 0 HA MET A 6 -7.351 1.375 -1.224 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.896 3.767 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.390 3.438 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.363 4.247 -3.393 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.271 3.088 -2.442 1.00 0.00 H new ATOM 0 HE1 MET A 6 -10.961 7.199 -2.260 1.00 0.00 H new ATOM 0 HE2 MET A 6 -10.502 6.013 -3.505 1.00 0.00 H new ATOM 0 HE3 MET A 6 -12.001 5.789 -2.573 1.00 0.00 H new ATOM 99 N HIS A 7 -10.654 1.284 -0.919 1.00 0.00 N ATOM 100 CA HIS A 7 -11.761 0.998 0.070 1.00 0.00 C ATOM 101 C HIS A 7 -11.426 -0.250 0.916 1.00 0.00 C ATOM 102 O HIS A 7 -11.802 -0.327 2.074 1.00 0.00 O ATOM 103 CB HIS A 7 -13.080 0.754 -0.684 1.00 0.00 C ATOM 104 CG HIS A 7 -13.631 2.051 -1.232 1.00 0.00 C ATOM 105 ND1 HIS A 7 -14.687 2.076 -2.128 1.00 0.00 N ATOM 106 CD2 HIS A 7 -13.288 3.367 -1.024 1.00 0.00 C ATOM 107 CE1 HIS A 7 -14.940 3.364 -2.420 1.00 0.00 C ATOM 108 NE2 HIS A 7 -14.116 4.192 -1.774 1.00 0.00 N ATOM 0 H HIS A 7 -10.956 1.318 -1.893 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.863 1.859 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.913 0.051 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.809 0.298 -0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.494 3.707 -0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.717 3.690 -3.096 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.098 5.211 -1.821 1.00 0.00 H new ATOM 116 N ASN A 8 -10.723 -1.214 0.342 1.00 0.00 N ATOM 117 CA ASN A 8 -10.346 -2.460 1.088 1.00 0.00 C ATOM 118 C ASN A 8 -8.943 -2.323 1.732 1.00 0.00 C ATOM 119 O ASN A 8 -8.664 -2.988 2.717 1.00 0.00 O ATOM 120 CB ASN A 8 -10.335 -3.648 0.111 1.00 0.00 C ATOM 121 CG ASN A 8 -11.768 -3.972 -0.334 1.00 0.00 C ATOM 122 OD1 ASN A 8 -12.442 -4.765 0.291 1.00 0.00 O ATOM 123 ND2 ASN A 8 -12.269 -3.388 -1.391 1.00 0.00 N ATOM 0 H ASN A 8 -10.394 -1.183 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.077 -2.622 1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.720 -3.410 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.888 -4.519 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.222 -3.599 -1.687 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.707 -2.721 -1.920 1.00 0.00 H new ATOM 130 N LEU A 9 -8.053 -1.501 1.176 1.00 0.00 N ATOM 131 CA LEU A 9 -6.661 -1.370 1.749 1.00 0.00 C ATOM 132 C LEU A 9 -6.456 0.005 2.423 1.00 0.00 C ATOM 133 O LEU A 9 -6.305 0.069 3.627 1.00 0.00 O ATOM 134 CB LEU A 9 -5.603 -1.562 0.634 1.00 0.00 C ATOM 135 CG LEU A 9 -5.962 -2.743 -0.287 1.00 0.00 C ATOM 136 CD1 LEU A 9 -5.058 -2.720 -1.522 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.767 -4.069 0.460 1.00 0.00 C ATOM 0 H LEU A 9 -8.236 -0.922 0.356 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.541 -2.145 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.525 -0.649 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.625 -1.734 1.084 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.005 -2.653 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.312 -3.556 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.201 -1.783 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.016 -2.805 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.023 -4.899 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.727 -4.161 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.412 -4.090 1.338 1.00 0.00 H new ATOM 149 N GLY A 10 -6.428 1.094 1.655 1.00 0.00 N ATOM 150 CA GLY A 10 -6.202 2.475 2.233 1.00 0.00 C ATOM 151 C GLY A 10 -7.271 2.835 3.280 1.00 0.00 C ATOM 152 O GLY A 10 -6.931 3.258 4.366 1.00 0.00 O ATOM 0 H GLY A 10 -6.554 1.078 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.214 2.521 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.216 3.212 1.430 1.00 0.00 H new ATOM 156 N LYS A 11 -8.547 2.659 2.965 1.00 0.00 N ATOM 157 CA LYS A 11 -9.663 2.973 3.939 1.00 0.00 C ATOM 158 C LYS A 11 -9.402 2.254 5.281 1.00 0.00 C ATOM 159 O LYS A 11 -9.488 2.859 6.335 1.00 0.00 O ATOM 160 CB LYS A 11 -10.999 2.500 3.348 1.00 0.00 C ATOM 161 CG LYS A 11 -12.168 3.234 4.019 1.00 0.00 C ATOM 162 CD LYS A 11 -13.426 2.355 3.977 1.00 0.00 C ATOM 163 CE LYS A 11 -14.105 2.473 2.604 1.00 0.00 C ATOM 164 NZ LYS A 11 -14.721 1.163 2.233 1.00 0.00 N ATOM 0 H LYS A 11 -8.865 2.306 2.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.702 4.048 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.014 2.683 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.107 1.425 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.915 3.473 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.356 4.179 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.160 1.316 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.119 2.660 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.869 3.250 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.375 2.769 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.223 1.260 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.976 0.443 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.393 0.874 2.972 1.00 0.00 H new ATOM 178 N HIS A 12 -9.038 0.980 5.226 1.00 0.00 N ATOM 179 CA HIS A 12 -8.707 0.200 6.470 1.00 0.00 C ATOM 180 C HIS A 12 -7.409 0.762 7.098 1.00 0.00 C ATOM 181 O HIS A 12 -7.279 0.843 8.309 1.00 0.00 O ATOM 182 CB HIS A 12 -8.468 -1.272 6.080 1.00 0.00 C ATOM 183 CG HIS A 12 -8.346 -2.127 7.314 1.00 0.00 C ATOM 184 ND1 HIS A 12 -9.425 -2.408 8.136 1.00 0.00 N ATOM 185 CD2 HIS A 12 -7.269 -2.762 7.875 1.00 0.00 C ATOM 186 CE1 HIS A 12 -8.976 -3.181 9.141 1.00 0.00 C ATOM 187 NE2 HIS A 12 -7.667 -3.428 9.030 1.00 0.00 N ATOM 0 H HIS A 12 -8.957 0.447 4.360 1.00 0.00 H new ATOM 0 HA HIS A 12 -9.527 0.278 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.291 -1.630 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.561 -1.354 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.264 -2.748 7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.598 -3.556 9.940 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.086 -3.984 9.657 1.00 0.00 H new ATOM 195 N LEU A 13 -6.453 1.121 6.260 1.00 0.00 N ATOM 196 CA LEU A 13 -5.133 1.655 6.722 1.00 0.00 C ATOM 197 C LEU A 13 -5.261 3.058 7.361 1.00 0.00 C ATOM 198 O LEU A 13 -6.161 3.828 7.060 1.00 0.00 O ATOM 199 CB LEU A 13 -4.196 1.712 5.499 1.00 0.00 C ATOM 200 CG LEU A 13 -2.744 1.386 5.870 1.00 0.00 C ATOM 201 CD1 LEU A 13 -2.666 0.083 6.674 1.00 0.00 C ATOM 202 CD2 LEU A 13 -1.949 1.217 4.576 1.00 0.00 C ATOM 0 H LEU A 13 -6.543 1.061 5.246 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.733 0.997 7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.544 1.008 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.242 2.706 5.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.338 2.194 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.627 -0.128 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.248 0.185 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.068 -0.737 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.911 0.984 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.378 0.405 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.990 2.142 4.000 1.00 0.00 H new ATOM 214 N ASN A 14 -4.331 3.370 8.242 1.00 0.00 N ATOM 215 CA ASN A 14 -4.296 4.699 8.956 1.00 0.00 C ATOM 216 C ASN A 14 -3.522 5.733 8.084 1.00 0.00 C ATOM 217 O ASN A 14 -2.871 5.364 7.135 1.00 0.00 O ATOM 218 CB ASN A 14 -3.618 4.441 10.328 1.00 0.00 C ATOM 219 CG ASN A 14 -2.865 5.666 10.875 1.00 0.00 C ATOM 220 OD1 ASN A 14 -1.691 5.830 10.627 1.00 0.00 O ATOM 221 ND2 ASN A 14 -3.492 6.536 11.615 1.00 0.00 N ATOM 0 H ASN A 14 -3.572 2.741 8.504 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.289 5.117 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.377 4.138 11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.921 3.609 10.230 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.994 7.348 11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.481 6.405 11.829 1.00 0.00 H new ATOM 228 N SER A 15 -3.615 7.023 8.398 1.00 0.00 N ATOM 229 CA SER A 15 -2.908 8.099 7.588 1.00 0.00 C ATOM 230 C SER A 15 -1.383 7.841 7.485 1.00 0.00 C ATOM 231 O SER A 15 -0.862 7.702 6.389 1.00 0.00 O ATOM 232 CB SER A 15 -3.151 9.470 8.233 1.00 0.00 C ATOM 233 OG SER A 15 -4.509 9.846 8.040 1.00 0.00 O ATOM 0 H SER A 15 -4.155 7.378 9.187 1.00 0.00 H new ATOM 0 HA SER A 15 -3.319 8.077 6.579 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.921 9.430 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.489 10.215 7.791 1.00 0.00 H new ATOM 0 HG SER A 15 -4.668 10.721 8.452 1.00 0.00 H new ATOM 239 N MET A 16 -0.672 7.753 8.606 1.00 0.00 N ATOM 240 CA MET A 16 0.820 7.478 8.566 1.00 0.00 C ATOM 241 C MET A 16 1.057 6.003 8.175 1.00 0.00 C ATOM 242 O MET A 16 2.039 5.688 7.530 1.00 0.00 O ATOM 243 CB MET A 16 1.441 7.763 9.943 1.00 0.00 C ATOM 244 CG MET A 16 2.920 8.131 9.775 1.00 0.00 C ATOM 245 SD MET A 16 3.524 8.915 11.292 1.00 0.00 S ATOM 246 CE MET A 16 4.436 10.269 10.508 1.00 0.00 C ATOM 0 H MET A 16 -1.061 7.860 9.543 1.00 0.00 H new ATOM 0 HA MET A 16 1.290 8.128 7.828 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.907 8.577 10.432 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.345 6.887 10.585 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.505 7.238 9.557 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.044 8.808 8.929 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.897 10.890 11.276 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.210 9.859 9.859 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.750 10.875 9.916 1.00 0.00 H new ATOM 256 N GLU A 17 0.141 5.111 8.520 1.00 0.00 N ATOM 257 CA GLU A 17 0.272 3.671 8.118 1.00 0.00 C ATOM 258 C GLU A 17 0.084 3.560 6.586 1.00 0.00 C ATOM 259 O GLU A 17 0.604 2.660 5.973 1.00 0.00 O ATOM 260 CB GLU A 17 -0.791 2.836 8.834 1.00 0.00 C ATOM 261 CG GLU A 17 -0.498 2.821 10.342 1.00 0.00 C ATOM 262 CD GLU A 17 0.154 1.490 10.734 1.00 0.00 C ATOM 263 OE1 GLU A 17 1.364 1.384 10.602 1.00 0.00 O ATOM 264 OE2 GLU A 17 -0.568 0.603 11.158 1.00 0.00 O ATOM 0 H GLU A 17 -0.693 5.327 9.066 1.00 0.00 H new ATOM 0 HA GLU A 17 1.258 3.298 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.781 3.252 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.794 1.819 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.161 3.649 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.422 2.962 10.902 1.00 0.00 H new ATOM 271 N ARG A 18 -0.637 4.498 5.976 1.00 0.00 N ATOM 272 CA ARG A 18 -0.852 4.509 4.491 1.00 0.00 C ATOM 273 C ARG A 18 0.411 5.050 3.810 1.00 0.00 C ATOM 274 O ARG A 18 0.854 4.508 2.853 1.00 0.00 O ATOM 275 CB ARG A 18 -2.022 5.450 4.138 1.00 0.00 C ATOM 276 CG ARG A 18 -3.258 4.659 3.701 1.00 0.00 C ATOM 277 CD ARG A 18 -4.484 5.165 4.475 1.00 0.00 C ATOM 278 NE ARG A 18 -5.509 5.715 3.535 1.00 0.00 N ATOM 279 CZ ARG A 18 -6.431 6.533 3.979 1.00 0.00 C ATOM 280 NH1 ARG A 18 -7.396 6.081 4.747 1.00 0.00 N ATOM 281 NH2 ARG A 18 -6.382 7.804 3.660 1.00 0.00 N ATOM 0 H ARG A 18 -1.091 5.268 6.467 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.073 3.496 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.269 6.067 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.719 6.127 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.417 4.774 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.109 3.596 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.916 4.350 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.181 5.936 5.183 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.490 5.454 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.428 5.093 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.114 6.718 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.628 8.153 3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.098 8.444 4.004 1.00 0.00 H new ATOM 295 N VAL A 19 0.965 6.133 4.301 1.00 0.00 N ATOM 296 CA VAL A 19 2.201 6.755 3.675 1.00 0.00 C ATOM 297 C VAL A 19 3.399 5.822 3.713 1.00 0.00 C ATOM 298 O VAL A 19 4.017 5.574 2.688 1.00 0.00 O ATOM 299 CB VAL A 19 2.482 8.097 4.350 1.00 0.00 C ATOM 300 CG1 VAL A 19 2.625 7.946 5.853 1.00 0.00 C ATOM 301 CG2 VAL A 19 3.751 8.730 3.827 1.00 0.00 C ATOM 0 H VAL A 19 0.615 6.628 5.122 1.00 0.00 H new ATOM 0 HA VAL A 19 2.010 6.930 2.616 1.00 0.00 H new ATOM 0 HB VAL A 19 1.628 8.734 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.824 8.920 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.703 7.539 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.451 7.270 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.917 9.682 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.594 8.066 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.658 8.898 2.754 1.00 0.00 H new ATOM 311 N GLU A 20 3.678 5.257 4.847 1.00 0.00 N ATOM 312 CA GLU A 20 4.779 4.256 4.957 1.00 0.00 C ATOM 313 C GLU A 20 4.464 3.047 4.063 1.00 0.00 C ATOM 314 O GLU A 20 5.349 2.353 3.594 1.00 0.00 O ATOM 315 CB GLU A 20 4.846 3.806 6.401 1.00 0.00 C ATOM 316 CG GLU A 20 3.515 3.177 6.879 1.00 0.00 C ATOM 317 CD GLU A 20 3.644 1.653 7.000 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.308 1.202 7.919 1.00 0.00 O ATOM 319 OE2 GLU A 20 3.078 0.960 6.171 1.00 0.00 O ATOM 0 H GLU A 20 3.185 5.446 5.720 1.00 0.00 H new ATOM 0 HA GLU A 20 5.727 4.692 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.651 3.080 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.091 4.658 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.233 3.600 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.718 3.424 6.177 1.00 0.00 H new ATOM 326 N TRP A 21 3.192 2.835 3.827 1.00 0.00 N ATOM 327 CA TRP A 21 2.711 1.730 2.977 1.00 0.00 C ATOM 328 C TRP A 21 2.848 2.118 1.520 1.00 0.00 C ATOM 329 O TRP A 21 3.216 1.305 0.699 1.00 0.00 O ATOM 330 CB TRP A 21 1.235 1.577 3.258 1.00 0.00 C ATOM 331 CG TRP A 21 0.662 0.389 2.579 1.00 0.00 C ATOM 332 CD1 TRP A 21 1.148 -0.860 2.652 1.00 0.00 C ATOM 333 CD2 TRP A 21 -0.494 0.334 1.723 1.00 0.00 C ATOM 334 NE1 TRP A 21 0.345 -1.694 1.894 1.00 0.00 N ATOM 335 CE2 TRP A 21 -0.683 -0.995 1.294 1.00 0.00 C ATOM 336 CE3 TRP A 21 -1.386 1.310 1.289 1.00 0.00 C ATOM 337 CZ2 TRP A 21 -1.737 -1.339 0.448 1.00 0.00 C ATOM 338 CZ3 TRP A 21 -2.434 0.982 0.444 1.00 0.00 C ATOM 339 CH2 TRP A 21 -2.617 -0.340 0.016 1.00 0.00 C ATOM 0 H TRP A 21 2.446 3.415 4.211 1.00 0.00 H new ATOM 0 HA TRP A 21 3.275 0.820 3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.077 1.492 4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.708 2.473 2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 21 2.021 -1.164 3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.494 -2.698 1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.260 2.332 1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.872 -2.362 0.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.115 1.751 0.112 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.435 -0.587 -0.645 1.00 0.00 H new ATOM 350 N LEU A 22 2.508 3.356 1.202 1.00 0.00 N ATOM 351 CA LEU A 22 2.567 3.803 -0.214 1.00 0.00 C ATOM 352 C LEU A 22 4.042 3.799 -0.663 1.00 0.00 C ATOM 353 O LEU A 22 4.361 3.364 -1.755 1.00 0.00 O ATOM 354 CB LEU A 22 1.957 5.213 -0.388 1.00 0.00 C ATOM 355 CG LEU A 22 0.494 5.299 0.137 1.00 0.00 C ATOM 356 CD1 LEU A 22 -0.306 6.248 -0.734 1.00 0.00 C ATOM 357 CD2 LEU A 22 -0.213 3.928 0.141 1.00 0.00 C ATOM 0 H LEU A 22 2.196 4.063 1.868 1.00 0.00 H new ATOM 0 HA LEU A 22 1.981 3.121 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.573 5.940 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.978 5.487 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 22 0.546 5.659 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.330 6.306 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.147 7.239 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.312 5.882 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.230 4.044 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.243 3.531 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.334 3.238 0.784 1.00 0.00 H new ATOM 369 N ARG A 23 4.940 4.238 0.219 1.00 0.00 N ATOM 370 CA ARG A 23 6.411 4.226 -0.076 1.00 0.00 C ATOM 371 C ARG A 23 6.881 2.758 -0.181 1.00 0.00 C ATOM 372 O ARG A 23 7.640 2.418 -1.071 1.00 0.00 O ATOM 373 CB ARG A 23 7.163 4.933 1.064 1.00 0.00 C ATOM 374 CG ARG A 23 8.588 5.281 0.616 1.00 0.00 C ATOM 375 CD ARG A 23 9.462 5.564 1.845 1.00 0.00 C ATOM 376 NE ARG A 23 10.646 4.649 1.842 1.00 0.00 N ATOM 377 CZ ARG A 23 11.040 4.081 2.951 1.00 0.00 C ATOM 378 NH1 ARG A 23 10.516 2.937 3.320 1.00 0.00 N ATOM 379 NH2 ARG A 23 11.962 4.656 3.685 1.00 0.00 N ATOM 0 H ARG A 23 4.699 4.606 1.139 1.00 0.00 H new ATOM 0 HA ARG A 23 6.613 4.746 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.632 5.840 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.196 4.289 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.010 4.457 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.571 6.152 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.793 6.603 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.882 5.421 2.757 1.00 0.00 H new ATOM 0 HE ARG A 23 11.147 4.468 0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.803 2.493 2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.822 2.491 4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.369 5.543 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.272 4.216 4.551 1.00 0.00 H new ATOM 393 N LYS A 24 6.392 1.884 0.703 1.00 0.00 N ATOM 394 CA LYS A 24 6.762 0.421 0.646 1.00 0.00 C ATOM 395 C LYS A 24 6.199 -0.194 -0.654 1.00 0.00 C ATOM 396 O LYS A 24 6.823 -1.045 -1.262 1.00 0.00 O ATOM 397 CB LYS A 24 6.172 -0.314 1.861 1.00 0.00 C ATOM 398 CG LYS A 24 7.180 -0.288 3.016 1.00 0.00 C ATOM 399 CD LYS A 24 6.692 -1.195 4.157 1.00 0.00 C ATOM 400 CE LYS A 24 5.778 -0.409 5.113 1.00 0.00 C ATOM 401 NZ LYS A 24 6.577 0.589 5.895 1.00 0.00 N ATOM 0 H LYS A 24 5.753 2.131 1.458 1.00 0.00 H new ATOM 0 HA LYS A 24 7.847 0.320 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.239 0.160 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.934 -1.344 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.156 -0.623 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.304 0.732 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.152 -2.048 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.546 -1.592 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.001 0.102 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.276 -1.096 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.124 0.750 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.540 0.225 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.622 1.486 5.370 1.00 0.00 H new ATOM 415 N LYS A 25 5.030 0.262 -1.083 1.00 0.00 N ATOM 416 CA LYS A 25 4.391 -0.231 -2.351 1.00 0.00 C ATOM 417 C LYS A 25 5.232 0.207 -3.560 1.00 0.00 C ATOM 418 O LYS A 25 5.464 -0.572 -4.469 1.00 0.00 O ATOM 419 CB LYS A 25 2.997 0.383 -2.466 1.00 0.00 C ATOM 420 CG LYS A 25 2.045 -0.347 -1.523 1.00 0.00 C ATOM 421 CD LYS A 25 1.079 -1.186 -2.354 1.00 0.00 C ATOM 422 CE LYS A 25 -0.292 -0.498 -2.422 1.00 0.00 C ATOM 423 NZ LYS A 25 -0.285 0.561 -3.477 1.00 0.00 N ATOM 0 H LYS A 25 4.486 0.971 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 25 4.327 -1.319 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.032 1.443 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.638 0.309 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.606 -0.984 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.495 0.369 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.476 -1.323 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.976 -2.178 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.066 -1.234 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.534 -0.057 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.217 1.020 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.441 1.270 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.074 0.130 -4.400 1.00 0.00 H new ATOM 437 N LEU A 26 5.722 1.438 -3.538 1.00 0.00 N ATOM 438 CA LEU A 26 6.604 1.951 -4.644 1.00 0.00 C ATOM 439 C LEU A 26 7.926 1.162 -4.605 1.00 0.00 C ATOM 440 O LEU A 26 8.537 0.916 -5.632 1.00 0.00 O ATOM 441 CB LEU A 26 6.890 3.449 -4.438 1.00 0.00 C ATOM 442 CG LEU A 26 5.605 4.268 -4.652 1.00 0.00 C ATOM 443 CD1 LEU A 26 5.683 5.566 -3.843 1.00 0.00 C ATOM 444 CD2 LEU A 26 5.447 4.604 -6.139 1.00 0.00 C ATOM 0 H LEU A 26 5.544 2.111 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 26 6.110 1.822 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.275 3.619 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.661 3.779 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 26 4.748 3.683 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.772 6.145 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.789 5.329 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.543 6.149 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.536 5.184 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.306 5.186 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.387 3.681 -6.716 1.00 0.00 H new ATOM 456 N GLN A 27 8.342 0.749 -3.413 1.00 0.00 N ATOM 457 CA GLN A 27 9.584 -0.050 -3.241 1.00 0.00 C ATOM 458 C GLN A 27 9.365 -1.462 -3.832 1.00 0.00 C ATOM 459 O GLN A 27 9.844 -1.718 -4.918 1.00 0.00 O ATOM 460 CB GLN A 27 9.925 -0.104 -1.744 1.00 0.00 C ATOM 461 CG GLN A 27 10.861 1.059 -1.403 1.00 0.00 C ATOM 462 CD GLN A 27 10.845 1.299 0.110 1.00 0.00 C ATOM 463 OE1 GLN A 27 9.952 1.940 0.624 1.00 0.00 O ATOM 464 NE2 GLN A 27 11.798 0.806 0.856 1.00 0.00 N ATOM 0 H GLN A 27 7.849 0.946 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 27 10.421 0.406 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.014 -0.041 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.401 -1.054 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.874 0.834 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.545 1.960 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.551 0.266 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.788 0.961 1.864 1.00 0.00 H new ATOM 473 N ASP A 28 8.639 -2.359 -3.132 1.00 0.00 N ATOM 474 CA ASP A 28 8.360 -3.776 -3.628 1.00 0.00 C ATOM 475 C ASP A 28 9.643 -4.392 -4.254 1.00 0.00 C ATOM 476 O ASP A 28 9.873 -4.276 -5.449 1.00 0.00 O ATOM 477 CB ASP A 28 7.201 -3.741 -4.645 1.00 0.00 C ATOM 478 CG ASP A 28 6.676 -5.163 -4.885 1.00 0.00 C ATOM 479 OD1 ASP A 28 5.803 -5.583 -4.144 1.00 0.00 O ATOM 480 OD2 ASP A 28 7.160 -5.806 -5.802 1.00 0.00 O ATOM 0 H ASP A 28 8.225 -2.154 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 28 8.068 -4.407 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.398 -3.105 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.543 -3.306 -5.584 1.00 0.00 H new ATOM 485 N VAL A 29 10.506 -4.978 -3.421 1.00 0.00 N ATOM 486 CA VAL A 29 11.849 -5.541 -3.874 1.00 0.00 C ATOM 487 C VAL A 29 12.844 -4.382 -3.924 1.00 0.00 C ATOM 488 O VAL A 29 13.852 -4.475 -3.261 1.00 0.00 O ATOM 489 CB VAL A 29 11.774 -6.301 -5.211 1.00 0.00 C ATOM 490 CG1 VAL A 29 13.116 -6.987 -5.471 1.00 0.00 C ATOM 491 CG2 VAL A 29 10.670 -7.363 -5.120 1.00 0.00 C ATOM 0 H VAL A 29 10.329 -5.091 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 29 12.179 -6.293 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 29 11.553 -5.608 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.071 -7.528 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.905 -6.236 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.330 -7.686 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.609 -7.907 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.901 -8.059 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.715 -6.878 -4.919 1.00 0.00 H new ATOM 501 N HIS A 30 12.516 -3.264 -4.612 1.00 0.00 N ATOM 502 CA HIS A 30 13.384 -2.011 -4.639 1.00 0.00 C ATOM 503 C HIS A 30 14.870 -2.344 -4.451 1.00 0.00 C ATOM 504 O HIS A 30 15.372 -2.278 -3.339 1.00 0.00 O ATOM 505 CB HIS A 30 12.913 -1.036 -3.507 1.00 0.00 C ATOM 506 CG HIS A 30 12.789 -1.766 -2.172 1.00 0.00 C ATOM 507 ND1 HIS A 30 11.800 -2.699 -1.945 1.00 0.00 N ATOM 508 CD2 HIS A 30 13.598 -1.818 -1.068 1.00 0.00 C ATOM 509 CE1 HIS A 30 12.047 -3.298 -0.779 1.00 0.00 C ATOM 510 NE2 HIS A 30 13.130 -2.791 -0.188 1.00 0.00 N ATOM 0 H HIS A 30 11.662 -3.181 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 30 13.273 -1.540 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.623 -0.214 -3.412 1.00 0.00 H new ATOM 0 HB3 HIS A 30 11.952 -0.598 -3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.467 -1.198 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.445 -4.094 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.529 -3.058 0.712 1.00 0.00 H new ATOM 518 N ASN A 31 15.569 -2.741 -5.511 1.00 0.00 N ATOM 519 CA ASN A 31 17.043 -3.125 -5.409 1.00 0.00 C ATOM 520 C ASN A 31 17.204 -4.518 -4.795 1.00 0.00 C ATOM 521 O ASN A 31 17.916 -5.358 -5.317 1.00 0.00 O ATOM 522 CB ASN A 31 17.828 -2.199 -4.464 1.00 0.00 C ATOM 523 CG ASN A 31 17.516 -0.706 -4.735 1.00 0.00 C ATOM 524 OD1 ASN A 31 17.942 -0.154 -5.728 1.00 0.00 O ATOM 525 ND2 ASN A 31 16.777 -0.033 -3.875 1.00 0.00 N ATOM 0 H ASN A 31 15.180 -2.817 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 31 17.420 -3.064 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.581 -2.440 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 31 18.897 -2.375 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.564 0.950 -4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.418 -0.495 -3.040 1.00 0.00 H new ATOM 532 N PHE A 32 16.580 -4.721 -3.646 1.00 0.00 N ATOM 533 CA PHE A 32 16.670 -5.963 -2.882 1.00 0.00 C ATOM 534 C PHE A 32 18.079 -6.165 -2.292 1.00 0.00 C ATOM 535 O PHE A 32 18.662 -7.238 -2.352 1.00 0.00 O ATOM 536 CB PHE A 32 16.198 -7.147 -3.696 1.00 0.00 C ATOM 537 CG PHE A 32 15.544 -8.059 -2.724 1.00 0.00 C ATOM 538 CD1 PHE A 32 14.312 -7.706 -2.174 1.00 0.00 C ATOM 539 CD2 PHE A 32 16.186 -9.224 -2.356 1.00 0.00 C ATOM 540 CE1 PHE A 32 13.704 -8.550 -1.242 1.00 0.00 C ATOM 541 CE2 PHE A 32 15.588 -10.081 -1.426 1.00 0.00 C ATOM 542 CZ PHE A 32 14.343 -9.746 -0.869 1.00 0.00 C ATOM 0 H PHE A 32 15.986 -4.018 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 32 15.992 -5.883 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 32 15.500 -6.836 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.033 -7.638 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.831 -6.785 -2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.146 -9.473 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.750 -8.286 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.082 -10.997 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.876 -10.407 -0.154 1.00 0.00 H new