USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 503 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 38 LYS NZ :NH3+ -126:sc= -0.209! (180deg=-0.906) USER MOD Set 1.2: A 39 TYR OH : rot 166:sc= 0.689 USER MOD Set 2.1: A 27 SER OG : rot -150:sc= 1.12 USER MOD Set 2.2: A 30 THR OG1 : rot 119:sc= 0.522! USER MOD Set 3.1: A 13 LYS NZ :NH3+ -142:sc= 1.03! (180deg=-2.3!) USER MOD Set 3.2: A 55 THR OG1 : rot 2:sc= 0.938 USER MOD Single : A 4 ASN : amide:sc= -2.76 K(o=-2.8,f=-7.1!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.936 F(o=-2.8!,f=-0.94) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.053 (180deg=-0.412) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= -0.0749 (180deg=-0.586) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= 0.901! (180deg=-2.57!) USER MOD Single : A 16 SER OG : rot -79:sc= 0.244 USER MOD Single : A 17 GLN : amide:sc= -7.97! C(o=-8!,f=-7.9!) USER MOD Single : A 18 SER OG : rot 155:sc= -1.1! USER MOD Single : A 29 GLN : amide:sc= -1.49! C(o=-1.5!,f=-7!) USER MOD Single : A 32 ASN : amide:sc= -4.84! C(o=-4.8!,f=-10!) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.135 (180deg=-2.9!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.948 F(o=-4.1!,f=-0.95) USER MOD Single : A 40 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.068) USER MOD Single : A 42 SER OG : rot 180:sc= 0.125 USER MOD Single : A 44 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.63) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -0.117 (180deg=-0.822) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.816 -1.352 -5.642 1.00 0.00 N ATOM 57 CA ASN A 4 -1.455 -2.208 -4.654 1.00 0.00 C ATOM 58 C ASN A 4 -1.335 -3.660 -5.054 1.00 0.00 C ATOM 59 O ASN A 4 -2.243 -4.467 -4.830 1.00 0.00 O ATOM 60 CB ASN A 4 -2.919 -1.817 -4.462 1.00 0.00 C ATOM 61 CG ASN A 4 -3.000 -0.454 -3.786 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.396 -0.245 -2.736 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.699 0.493 -4.325 1.00 0.00 N ATOM 0 HA ASN A 4 -0.943 -2.072 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.427 -1.787 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.429 -2.566 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.747 1.409 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.202 0.323 -5.196 1.00 0.00 H new ATOM 70 N ASN A 5 -0.201 -3.994 -5.631 1.00 0.00 N ATOM 71 CA ASN A 5 0.074 -5.349 -6.090 1.00 0.00 C ATOM 72 C ASN A 5 0.223 -6.318 -4.916 1.00 0.00 C ATOM 73 O ASN A 5 0.959 -7.302 -4.993 1.00 0.00 O ATOM 74 CB ASN A 5 1.319 -5.387 -6.989 1.00 0.00 C ATOM 75 CG ASN A 5 2.466 -4.573 -6.378 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.626 -4.537 -5.089 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 3.244 -3.945 -7.106 1.00 0.00 N flip ATOM 0 H ASN A 5 0.561 -3.337 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.782 -5.673 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.637 -6.420 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.072 -4.991 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.126 -3.968 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.004 -3.404 -6.694 1.00 0.00 H new ATOM 84 N LEU A 6 -0.565 -6.094 -3.886 1.00 0.00 N ATOM 85 CA LEU A 6 -0.614 -6.971 -2.727 1.00 0.00 C ATOM 86 C LEU A 6 -1.078 -8.350 -3.174 1.00 0.00 C ATOM 87 O LEU A 6 -0.559 -9.378 -2.729 1.00 0.00 O ATOM 88 CB LEU A 6 -1.590 -6.368 -1.688 1.00 0.00 C ATOM 89 CG LEU A 6 -1.759 -7.254 -0.425 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.909 -8.252 -0.621 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.461 -8.003 -0.079 1.00 0.00 C ATOM 0 H LEU A 6 -1.195 -5.294 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 6 0.371 -7.066 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.230 -5.384 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.564 -6.222 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.996 -6.594 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.014 -8.866 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.837 -7.708 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.694 -8.892 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.619 -8.613 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.178 -8.645 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.335 -7.283 0.111 1.00 0.00 H new ATOM 103 N LYS A 7 -2.048 -8.361 -4.079 1.00 0.00 N ATOM 104 CA LYS A 7 -2.622 -9.597 -4.570 1.00 0.00 C ATOM 105 C LYS A 7 -1.552 -10.579 -5.032 1.00 0.00 C ATOM 106 O LYS A 7 -1.647 -11.771 -4.758 1.00 0.00 O ATOM 107 CB LYS A 7 -3.613 -9.322 -5.710 1.00 0.00 C ATOM 108 CG LYS A 7 -3.005 -8.377 -6.763 1.00 0.00 C ATOM 109 CD LYS A 7 -3.675 -7.002 -6.674 1.00 0.00 C ATOM 110 CE LYS A 7 -3.450 -6.226 -7.971 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.270 -6.821 -9.056 1.00 0.00 N ATOM 0 H LYS A 7 -2.453 -7.519 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.156 -10.054 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.897 -10.262 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.524 -8.881 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.931 -8.280 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.141 -8.794 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.743 -7.120 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.268 -6.444 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.718 -5.179 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.395 -6.251 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.447 -6.106 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.762 -7.627 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.177 -7.148 -8.666 1.00 0.00 H new ATOM 125 N LEU A 8 -0.544 -10.084 -5.742 1.00 0.00 N ATOM 126 CA LEU A 8 0.512 -10.952 -6.257 1.00 0.00 C ATOM 127 C LEU A 8 1.278 -11.606 -5.120 1.00 0.00 C ATOM 128 O LEU A 8 1.431 -12.827 -5.089 1.00 0.00 O ATOM 129 CB LEU A 8 1.467 -10.167 -7.167 1.00 0.00 C ATOM 130 CG LEU A 8 0.775 -9.765 -8.506 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.392 -10.702 -8.846 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.266 -8.323 -8.433 1.00 0.00 C ATOM 0 H LEU A 8 -0.435 -9.097 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 8 0.042 -11.738 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.811 -9.271 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.349 -10.771 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 8 1.523 -9.850 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.848 -10.389 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.022 -11.723 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.136 -10.661 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.214 -8.058 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.455 -8.232 -7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.104 -7.650 -8.251 1.00 0.00 H new ATOM 144 N ILE A 9 1.629 -10.821 -4.121 1.00 0.00 N ATOM 145 CA ILE A 9 2.229 -11.370 -2.918 1.00 0.00 C ATOM 146 C ILE A 9 1.215 -12.241 -2.201 1.00 0.00 C ATOM 147 O ILE A 9 1.532 -13.333 -1.737 1.00 0.00 O ATOM 148 CB ILE A 9 2.742 -10.247 -2.000 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.968 -9.576 -2.641 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.147 -10.831 -0.644 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.566 -8.739 -3.844 1.00 0.00 C ATOM 0 H ILE A 9 1.511 -9.808 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 9 3.087 -11.982 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 9 1.949 -9.512 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.467 -8.945 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.685 -10.338 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.510 -10.032 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.284 -11.309 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.937 -11.569 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.452 -8.276 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.089 -9.377 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.868 -7.963 -3.530 1.00 0.00 H new ATOM 163 N ARG A 10 -0.007 -11.754 -2.122 1.00 0.00 N ATOM 164 CA ARG A 10 -1.069 -12.497 -1.472 1.00 0.00 C ATOM 165 C ARG A 10 -1.268 -13.843 -2.159 1.00 0.00 C ATOM 166 O ARG A 10 -1.360 -14.884 -1.499 1.00 0.00 O ATOM 167 CB ARG A 10 -2.378 -11.710 -1.596 1.00 0.00 C ATOM 168 CG ARG A 10 -3.534 -12.563 -1.096 1.00 0.00 C ATOM 169 CD ARG A 10 -4.859 -12.071 -1.691 1.00 0.00 C ATOM 170 NE ARG A 10 -5.224 -10.764 -1.176 1.00 0.00 N ATOM 171 CZ ARG A 10 -5.666 -10.614 0.061 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.689 -11.656 0.873 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.093 -9.448 0.455 1.00 0.00 N ATOM 0 H ARG A 10 -0.289 -10.849 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.800 -12.649 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.316 -10.788 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.546 -11.424 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.370 -13.605 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.580 -12.523 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.776 -12.024 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.649 -12.786 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.138 -9.946 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.367 -12.566 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.028 -11.550 1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.085 -8.657 -0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.435 -9.326 1.408 1.00 0.00 H new ATOM 187 N GLU A 11 -1.390 -13.810 -3.474 1.00 0.00 N ATOM 188 CA GLU A 11 -1.629 -15.011 -4.246 1.00 0.00 C ATOM 189 C GLU A 11 -0.395 -15.891 -4.250 1.00 0.00 C ATOM 190 O GLU A 11 -0.489 -17.114 -4.210 1.00 0.00 O ATOM 191 CB GLU A 11 -2.118 -14.668 -5.671 1.00 0.00 C ATOM 192 CG GLU A 11 -0.927 -14.427 -6.623 1.00 0.00 C ATOM 193 CD GLU A 11 -0.588 -15.688 -7.407 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.273 -16.679 -7.241 1.00 0.00 O ATOM 195 OE2 GLU A 11 0.343 -15.649 -8.170 1.00 0.00 O ATOM 0 H GLU A 11 -1.327 -12.957 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.429 -15.580 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.734 -15.482 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.748 -13.779 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.167 -13.619 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.057 -14.107 -6.049 1.00 0.00 H new ATOM 202 N LYS A 12 0.757 -15.259 -4.190 1.00 0.00 N ATOM 203 CA LYS A 12 2.020 -15.974 -4.138 1.00 0.00 C ATOM 204 C LYS A 12 1.973 -16.971 -3.005 1.00 0.00 C ATOM 205 O LYS A 12 2.227 -18.163 -3.192 1.00 0.00 O ATOM 206 CB LYS A 12 3.080 -14.951 -3.800 1.00 0.00 C ATOM 207 CG LYS A 12 4.457 -15.564 -3.739 1.00 0.00 C ATOM 208 CD LYS A 12 5.390 -14.460 -3.285 1.00 0.00 C ATOM 209 CE LYS A 12 6.818 -14.946 -3.286 1.00 0.00 C ATOM 210 NZ LYS A 12 6.924 -16.197 -2.490 1.00 0.00 N ATOM 0 H LYS A 12 0.848 -14.243 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 12 2.220 -16.485 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.069 -14.157 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.846 -14.489 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.479 -16.403 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.755 -15.950 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.292 -13.598 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.112 -14.129 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.150 -15.125 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.472 -14.181 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.853 -16.234 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.174 -16.215 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.819 -17.019 -3.119 1.00 0.00 H new ATOM 224 N LYS A 13 1.585 -16.486 -1.847 1.00 0.00 N ATOM 225 CA LYS A 13 1.434 -17.337 -0.669 1.00 0.00 C ATOM 226 C LYS A 13 -0.023 -17.758 -0.459 1.00 0.00 C ATOM 227 O LYS A 13 -0.355 -18.418 0.530 1.00 0.00 O ATOM 228 CB LYS A 13 2.003 -16.661 0.585 1.00 0.00 C ATOM 229 CG LYS A 13 1.892 -15.126 0.480 1.00 0.00 C ATOM 230 CD LYS A 13 2.506 -14.473 1.724 1.00 0.00 C ATOM 231 CE LYS A 13 4.034 -14.399 1.575 1.00 0.00 C ATOM 232 NZ LYS A 13 4.678 -14.430 2.912 1.00 0.00 N ATOM 0 H LYS A 13 1.365 -15.503 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 13 2.012 -18.243 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.465 -17.009 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.047 -16.946 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.405 -14.776 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.846 -14.834 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.096 -13.472 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.246 -15.047 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.389 -15.234 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.312 -13.485 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.497 -13.789 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.994 -14.124 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.994 -15.398 3.123 1.00 0.00 H new ATOM 246 N LYS A 14 -0.873 -17.395 -1.406 1.00 0.00 N ATOM 247 CA LYS A 14 -2.287 -17.752 -1.376 1.00 0.00 C ATOM 248 C LYS A 14 -2.968 -17.318 -0.073 1.00 0.00 C ATOM 249 O LYS A 14 -3.714 -18.091 0.532 1.00 0.00 O ATOM 250 CB LYS A 14 -2.464 -19.260 -1.608 1.00 0.00 C ATOM 251 CG LYS A 14 -1.930 -19.640 -2.996 1.00 0.00 C ATOM 252 CD LYS A 14 -2.795 -18.991 -4.095 1.00 0.00 C ATOM 253 CE LYS A 14 -2.285 -19.428 -5.474 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.085 -18.640 -5.842 1.00 0.00 N ATOM 0 H LYS A 14 -0.604 -16.843 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.776 -17.210 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.933 -19.820 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.517 -19.528 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.895 -19.314 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.935 -20.724 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.838 -19.284 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.756 -17.905 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.043 -20.491 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.066 -19.288 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.317 -18.001 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.772 -18.081 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.322 -19.284 -6.133 1.00 0.00 H new ATOM 268 N ILE A 15 -2.788 -16.059 0.297 1.00 0.00 N ATOM 269 CA ILE A 15 -3.435 -15.496 1.484 1.00 0.00 C ATOM 270 C ILE A 15 -4.838 -15.002 1.121 1.00 0.00 C ATOM 271 O ILE A 15 -4.993 -14.090 0.315 1.00 0.00 O ATOM 272 CB ILE A 15 -2.559 -14.338 2.044 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.456 -14.884 2.973 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.404 -13.322 2.812 1.00 0.00 C ATOM 275 CD1 ILE A 15 -0.834 -16.150 2.395 1.00 0.00 C ATOM 0 H ILE A 15 -2.196 -15.400 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.534 -16.260 2.255 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.100 -13.841 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.685 -14.126 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.876 -15.097 3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.762 -12.526 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.155 -12.897 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.898 -13.817 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.059 -16.515 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.603 -16.913 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.394 -15.928 1.423 1.00 0.00 H new ATOM 287 N SER A 16 -5.852 -15.583 1.716 1.00 0.00 N ATOM 288 CA SER A 16 -7.211 -15.205 1.378 1.00 0.00 C ATOM 289 C SER A 16 -7.595 -13.846 1.969 1.00 0.00 C ATOM 290 O SER A 16 -6.907 -13.320 2.857 1.00 0.00 O ATOM 291 CB SER A 16 -8.190 -16.300 1.788 1.00 0.00 C ATOM 292 OG SER A 16 -8.173 -16.455 3.206 1.00 0.00 O ATOM 0 H SER A 16 -5.769 -16.310 2.427 1.00 0.00 H new ATOM 0 HA SER A 16 -7.265 -15.094 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.196 -16.046 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.921 -17.240 1.307 1.00 0.00 H new ATOM 0 HG SER A 16 -7.386 -16.977 3.469 1.00 0.00 H new ATOM 298 N GLN A 17 -8.596 -13.218 1.377 1.00 0.00 N ATOM 299 CA GLN A 17 -9.000 -11.872 1.763 1.00 0.00 C ATOM 300 C GLN A 17 -9.534 -11.818 3.195 1.00 0.00 C ATOM 301 O GLN A 17 -9.122 -10.966 3.981 1.00 0.00 O ATOM 302 CB GLN A 17 -10.101 -11.388 0.813 1.00 0.00 C ATOM 303 CG GLN A 17 -9.513 -10.513 -0.289 1.00 0.00 C ATOM 304 CD GLN A 17 -8.560 -11.318 -1.150 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.670 -12.543 -1.237 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.635 -10.710 -1.783 1.00 0.00 N ATOM 0 H GLN A 17 -9.150 -13.621 0.621 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.118 -11.233 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.610 -12.245 0.372 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.849 -10.825 1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.314 -10.106 -0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.988 -9.666 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.547 -9.697 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.983 -11.237 -2.364 1.00 0.00 H new ATOM 315 N SER A 18 -10.516 -12.651 3.488 1.00 0.00 N ATOM 316 CA SER A 18 -11.210 -12.598 4.774 1.00 0.00 C ATOM 317 C SER A 18 -10.275 -12.874 5.946 1.00 0.00 C ATOM 318 O SER A 18 -10.303 -12.155 6.954 1.00 0.00 O ATOM 319 CB SER A 18 -12.382 -13.581 4.776 1.00 0.00 C ATOM 320 OG SER A 18 -12.992 -13.581 3.479 1.00 0.00 O ATOM 0 H SER A 18 -10.856 -13.376 2.856 1.00 0.00 H new ATOM 0 HA SER A 18 -11.589 -11.584 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.033 -14.582 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.111 -13.297 5.535 1.00 0.00 H new ATOM 0 HG SER A 18 -13.446 -14.437 3.331 1.00 0.00 H new ATOM 326 N GLU A 19 -9.418 -13.878 5.807 1.00 0.00 N ATOM 327 CA GLU A 19 -8.483 -14.185 6.872 1.00 0.00 C ATOM 328 C GLU A 19 -7.536 -13.022 7.037 1.00 0.00 C ATOM 329 O GLU A 19 -7.335 -12.515 8.140 1.00 0.00 O ATOM 330 CB GLU A 19 -7.698 -15.488 6.571 1.00 0.00 C ATOM 331 CG GLU A 19 -6.617 -15.241 5.504 1.00 0.00 C ATOM 332 CD GLU A 19 -5.904 -16.535 5.178 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.447 -17.189 6.097 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.835 -16.872 4.007 1.00 0.00 O ATOM 0 H GLU A 19 -9.353 -14.479 4.985 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.036 -14.346 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.235 -15.858 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.385 -16.261 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.072 -14.830 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.901 -14.503 5.865 1.00 0.00 H new ATOM 341 N LEU A 20 -7.042 -12.545 5.911 1.00 0.00 N ATOM 342 CA LEU A 20 -6.157 -11.404 5.874 1.00 0.00 C ATOM 343 C LEU A 20 -6.853 -10.170 6.424 1.00 0.00 C ATOM 344 O LEU A 20 -6.308 -9.467 7.265 1.00 0.00 O ATOM 345 CB LEU A 20 -5.700 -11.173 4.426 1.00 0.00 C ATOM 346 CG LEU A 20 -4.970 -9.832 4.291 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.836 -9.953 3.265 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.963 -8.771 3.813 1.00 0.00 C ATOM 0 H LEU A 20 -7.246 -12.942 4.994 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.286 -11.598 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.041 -11.983 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.563 -11.190 3.761 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.552 -9.550 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.323 -8.996 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.129 -10.715 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.250 -10.235 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.452 -7.813 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.373 -9.065 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.772 -8.678 4.537 1.00 0.00 H new ATOM 360 N ALA A 21 -8.076 -9.943 5.989 1.00 0.00 N ATOM 361 CA ALA A 21 -8.833 -8.783 6.440 1.00 0.00 C ATOM 362 C ALA A 21 -8.993 -8.808 7.947 1.00 0.00 C ATOM 363 O ALA A 21 -8.846 -7.778 8.612 1.00 0.00 O ATOM 364 CB ALA A 21 -10.206 -8.730 5.765 1.00 0.00 C ATOM 0 H ALA A 21 -8.569 -10.541 5.326 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.278 -7.888 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.752 -7.855 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.078 -8.666 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.767 -9.631 6.011 1.00 0.00 H new ATOM 370 N ALA A 22 -9.203 -9.999 8.497 1.00 0.00 N ATOM 371 CA ALA A 22 -9.297 -10.139 9.936 1.00 0.00 C ATOM 372 C ALA A 22 -7.969 -9.784 10.570 1.00 0.00 C ATOM 373 O ALA A 22 -7.924 -9.138 11.620 1.00 0.00 O ATOM 374 CB ALA A 22 -9.697 -11.561 10.320 1.00 0.00 C ATOM 0 H ALA A 22 -9.309 -10.867 7.972 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.067 -9.459 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.761 -11.641 11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.666 -11.797 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.950 -12.262 9.948 1.00 0.00 H new ATOM 380 N LEU A 23 -6.883 -10.199 9.921 1.00 0.00 N ATOM 381 CA LEU A 23 -5.550 -9.908 10.425 1.00 0.00 C ATOM 382 C LEU A 23 -5.327 -8.408 10.421 1.00 0.00 C ATOM 383 O LEU A 23 -4.715 -7.844 11.337 1.00 0.00 O ATOM 384 CB LEU A 23 -4.471 -10.551 9.541 1.00 0.00 C ATOM 385 CG LEU A 23 -4.582 -12.082 9.558 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.381 -12.722 8.852 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.715 -12.604 10.979 1.00 0.00 C ATOM 0 H LEU A 23 -6.903 -10.733 9.052 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.477 -10.312 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.570 -10.188 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.483 -10.251 9.891 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.484 -12.360 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.481 -13.807 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.345 -12.384 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.462 -12.431 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.792 -13.691 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.839 -12.311 11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.610 -12.184 11.439 1.00 0.00 H new ATOM 399 N LEU A 24 -5.766 -7.771 9.338 1.00 0.00 N ATOM 400 CA LEU A 24 -5.554 -6.346 9.164 1.00 0.00 C ATOM 401 C LEU A 24 -6.466 -5.566 10.078 1.00 0.00 C ATOM 402 O LEU A 24 -6.225 -4.386 10.344 1.00 0.00 O ATOM 403 CB LEU A 24 -5.832 -5.924 7.728 1.00 0.00 C ATOM 404 CG LEU A 24 -4.961 -6.712 6.752 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.124 -6.146 5.354 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.496 -6.690 7.172 1.00 0.00 C ATOM 0 H LEU A 24 -6.268 -8.222 8.573 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.512 -6.136 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.884 -6.085 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.640 -4.857 7.614 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.287 -7.752 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.502 -6.709 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.168 -6.222 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.819 -5.099 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.904 -7.260 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.141 -5.660 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.395 -7.134 8.162 1.00 0.00 H new ATOM 418 N GLU A 25 -7.563 -6.192 10.467 1.00 0.00 N ATOM 419 CA GLU A 25 -8.581 -5.538 11.281 1.00 0.00 C ATOM 420 C GLU A 25 -9.275 -4.448 10.462 1.00 0.00 C ATOM 421 O GLU A 25 -9.784 -3.468 11.012 1.00 0.00 O ATOM 422 CB GLU A 25 -7.945 -4.920 12.532 1.00 0.00 C ATOM 423 CG GLU A 25 -7.283 -6.013 13.375 1.00 0.00 C ATOM 424 CD GLU A 25 -6.554 -5.386 14.539 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.860 -4.415 14.320 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.687 -5.879 15.628 1.00 0.00 O ATOM 0 H GLU A 25 -7.775 -7.161 10.231 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.316 -6.281 11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.205 -4.173 12.243 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.705 -4.405 13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.036 -6.712 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.586 -6.586 12.763 1.00 0.00 H new ATOM 433 N VAL A 26 -9.321 -4.647 9.154 1.00 0.00 N ATOM 434 CA VAL A 26 -9.981 -3.711 8.257 1.00 0.00 C ATOM 435 C VAL A 26 -10.938 -4.455 7.350 1.00 0.00 C ATOM 436 O VAL A 26 -10.890 -5.687 7.258 1.00 0.00 O ATOM 437 CB VAL A 26 -8.956 -2.918 7.424 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.048 -2.097 8.350 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.106 -3.876 6.574 1.00 0.00 C ATOM 0 H VAL A 26 -8.906 -5.454 8.688 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.542 -2.997 8.860 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.494 -2.241 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.327 -1.540 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.654 -1.401 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.518 -2.767 9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.386 -3.303 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.575 -4.568 7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.754 -4.437 5.901 1.00 0.00 H new ATOM 449 N SER A 27 -11.858 -3.733 6.764 1.00 0.00 N ATOM 450 CA SER A 27 -12.901 -4.334 5.967 1.00 0.00 C ATOM 451 C SER A 27 -12.334 -5.107 4.773 1.00 0.00 C ATOM 452 O SER A 27 -11.445 -4.620 4.046 1.00 0.00 O ATOM 453 CB SER A 27 -13.872 -3.249 5.510 1.00 0.00 C ATOM 454 OG SER A 27 -13.128 -2.085 5.148 1.00 0.00 O ATOM 0 H SER A 27 -11.907 -2.716 6.824 1.00 0.00 H new ATOM 0 HA SER A 27 -13.433 -5.060 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.458 -3.601 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.576 -3.013 6.308 1.00 0.00 H new ATOM 0 HG SER A 27 -13.670 -1.286 5.314 1.00 0.00 H new ATOM 460 N ARG A 28 -12.885 -6.286 4.547 1.00 0.00 N ATOM 461 CA ARG A 28 -12.486 -7.132 3.438 1.00 0.00 C ATOM 462 C ARG A 28 -12.762 -6.442 2.111 1.00 0.00 C ATOM 463 O ARG A 28 -11.921 -6.452 1.205 1.00 0.00 O ATOM 464 CB ARG A 28 -13.227 -8.475 3.522 1.00 0.00 C ATOM 465 CG ARG A 28 -12.767 -9.414 2.406 1.00 0.00 C ATOM 466 CD ARG A 28 -13.435 -10.787 2.594 1.00 0.00 C ATOM 467 NE ARG A 28 -14.887 -10.675 2.476 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.701 -11.685 2.821 1.00 0.00 C ATOM 469 NH1 ARG A 28 -15.198 -12.816 3.244 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.995 -11.548 2.712 1.00 0.00 N ATOM 0 H ARG A 28 -13.623 -6.684 5.128 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.414 -7.318 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.044 -8.937 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.302 -8.309 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.030 -8.998 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.682 -9.518 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.057 -11.486 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.175 -11.193 3.572 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.292 -9.808 2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.187 -12.931 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.817 -13.583 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.388 -10.673 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.613 -12.316 2.974 1.00 0.00 H new ATOM 484 N GLN A 29 -13.930 -5.816 2.010 1.00 0.00 N ATOM 485 CA GLN A 29 -14.302 -5.117 0.790 1.00 0.00 C ATOM 486 C GLN A 29 -13.253 -4.081 0.433 1.00 0.00 C ATOM 487 O GLN A 29 -12.852 -3.961 -0.721 1.00 0.00 O ATOM 488 CB GLN A 29 -15.694 -4.461 0.910 1.00 0.00 C ATOM 489 CG GLN A 29 -15.870 -3.766 2.265 1.00 0.00 C ATOM 490 CD GLN A 29 -16.386 -4.752 3.304 1.00 0.00 C ATOM 491 OE1 GLN A 29 -16.311 -5.972 3.102 1.00 0.00 O ATOM 492 NE2 GLN A 29 -16.902 -4.302 4.398 1.00 0.00 N ATOM 0 H GLN A 29 -14.628 -5.779 2.752 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.355 -5.855 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.826 -3.735 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.467 -5.219 0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.918 -3.348 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.567 -2.934 2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.961 -3.296 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.251 -4.952 5.102 1.00 0.00 H new ATOM 501 N THR A 30 -12.766 -3.378 1.427 1.00 0.00 N ATOM 502 CA THR A 30 -11.734 -2.398 1.194 1.00 0.00 C ATOM 503 C THR A 30 -10.471 -3.087 0.686 1.00 0.00 C ATOM 504 O THR A 30 -9.915 -2.711 -0.350 1.00 0.00 O ATOM 505 CB THR A 30 -11.455 -1.639 2.502 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.696 -1.207 3.059 1.00 0.00 O ATOM 507 CG2 THR A 30 -10.573 -0.422 2.222 1.00 0.00 C ATOM 0 H THR A 30 -13.065 -3.465 2.398 1.00 0.00 H new ATOM 0 HA THR A 30 -12.062 -1.686 0.436 1.00 0.00 H new ATOM 0 HB THR A 30 -10.940 -2.297 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.818 -1.616 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.380 0.110 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.628 -0.750 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.081 0.243 1.523 1.00 0.00 H new ATOM 515 N ILE A 31 -10.039 -4.128 1.391 1.00 0.00 N ATOM 516 CA ILE A 31 -8.835 -4.839 0.991 1.00 0.00 C ATOM 517 C ILE A 31 -9.000 -5.516 -0.357 1.00 0.00 C ATOM 518 O ILE A 31 -8.137 -5.395 -1.230 1.00 0.00 O ATOM 519 CB ILE A 31 -8.461 -5.879 2.040 1.00 0.00 C ATOM 520 CG1 ILE A 31 -8.048 -5.178 3.338 1.00 0.00 C ATOM 521 CG2 ILE A 31 -7.311 -6.754 1.527 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.849 -4.261 3.078 1.00 0.00 C ATOM 0 H ILE A 31 -10.497 -4.491 2.227 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.038 -4.101 0.904 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.325 -6.514 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.883 -4.597 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.793 -5.919 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.051 -7.494 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.620 -7.262 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.443 -6.129 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.561 -3.766 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.012 -4.853 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.119 -3.510 2.335 1.00 0.00 H new ATOM 534 N ASN A 32 -10.117 -6.194 -0.548 1.00 0.00 N ATOM 535 CA ASN A 32 -10.331 -6.883 -1.804 1.00 0.00 C ATOM 536 C ASN A 32 -10.559 -5.882 -2.905 1.00 0.00 C ATOM 537 O ASN A 32 -10.462 -6.215 -4.086 1.00 0.00 O ATOM 538 CB ASN A 32 -11.475 -7.912 -1.711 1.00 0.00 C ATOM 539 CG ASN A 32 -12.844 -7.251 -1.670 1.00 0.00 C ATOM 540 OD1 ASN A 32 -13.069 -6.217 -2.295 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.775 -7.790 -0.956 1.00 0.00 N ATOM 0 H ASN A 32 -10.872 -6.281 0.132 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.432 -7.453 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.425 -8.586 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.341 -8.521 -0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.698 -7.358 -0.911 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.588 -8.648 -0.437 1.00 0.00 H new ATOM 548 N GLY A 33 -10.850 -4.651 -2.507 1.00 0.00 N ATOM 549 CA GLY A 33 -11.004 -3.553 -3.435 1.00 0.00 C ATOM 550 C GLY A 33 -9.654 -2.938 -3.787 1.00 0.00 C ATOM 551 O GLY A 33 -9.386 -2.628 -4.951 1.00 0.00 O ATOM 0 H GLY A 33 -10.985 -4.391 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.494 -3.906 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.651 -2.792 -2.999 1.00 0.00 H new ATOM 555 N ILE A 34 -8.838 -2.668 -2.760 1.00 0.00 N ATOM 556 CA ILE A 34 -7.579 -1.946 -2.960 1.00 0.00 C ATOM 557 C ILE A 34 -6.632 -2.715 -3.862 1.00 0.00 C ATOM 558 O ILE A 34 -6.084 -2.148 -4.825 1.00 0.00 O ATOM 559 CB ILE A 34 -6.898 -1.660 -1.607 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.730 -0.651 -0.799 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.505 -1.062 -1.843 1.00 0.00 C ATOM 562 CD1 ILE A 34 -7.205 -0.596 0.640 1.00 0.00 C ATOM 0 H ILE A 34 -9.025 -2.936 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.819 -1.001 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.816 -2.597 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.671 0.336 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.780 -0.942 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.028 -0.862 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.898 -1.767 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.599 -0.132 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.794 0.119 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.287 -1.583 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.160 -0.285 0.635 1.00 0.00 H new ATOM 574 N GLU A 35 -6.485 -4.006 -3.620 1.00 0.00 N ATOM 575 CA GLU A 35 -5.642 -4.799 -4.482 1.00 0.00 C ATOM 576 C GLU A 35 -6.271 -4.893 -5.865 1.00 0.00 C ATOM 577 O GLU A 35 -5.586 -4.746 -6.872 1.00 0.00 O ATOM 578 CB GLU A 35 -5.310 -6.179 -3.861 1.00 0.00 C ATOM 579 CG GLU A 35 -6.566 -7.016 -3.649 1.00 0.00 C ATOM 580 CD GLU A 35 -6.279 -8.147 -2.654 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.518 -9.033 -2.992 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.821 -8.118 -1.565 1.00 0.00 O ATOM 0 H GLU A 35 -6.928 -4.513 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.678 -4.303 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.620 -6.715 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.802 -6.037 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.374 -6.387 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.901 -7.432 -4.599 1.00 0.00 H new ATOM 589 N LYS A 36 -7.594 -4.988 -5.914 1.00 0.00 N ATOM 590 CA LYS A 36 -8.292 -4.972 -7.200 1.00 0.00 C ATOM 591 C LYS A 36 -8.136 -3.630 -7.908 1.00 0.00 C ATOM 592 O LYS A 36 -7.804 -3.587 -9.088 1.00 0.00 O ATOM 593 CB LYS A 36 -9.784 -5.246 -7.016 1.00 0.00 C ATOM 594 CG LYS A 36 -10.059 -6.749 -6.935 1.00 0.00 C ATOM 595 CD LYS A 36 -8.982 -7.457 -6.106 1.00 0.00 C ATOM 596 CE LYS A 36 -9.524 -8.799 -5.631 1.00 0.00 C ATOM 597 NZ LYS A 36 -10.836 -8.580 -4.979 1.00 0.00 N ATOM 0 H LYS A 36 -8.198 -5.075 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.841 -5.756 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.138 -4.758 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.342 -4.815 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.039 -6.920 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.088 -7.172 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.083 -7.605 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.699 -6.842 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.631 -9.483 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.827 -9.261 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.020 -9.348 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.826 -7.670 -4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.585 -8.568 -5.701 1.00 0.00 H new ATOM 611 N ASN A 37 -8.398 -2.541 -7.179 1.00 0.00 N ATOM 612 CA ASN A 37 -8.331 -1.177 -7.739 1.00 0.00 C ATOM 613 C ASN A 37 -8.974 -0.159 -6.801 1.00 0.00 C ATOM 614 O ASN A 37 -10.023 0.417 -7.119 1.00 0.00 O ATOM 615 CB ASN A 37 -9.005 -1.096 -9.130 1.00 0.00 C ATOM 616 CG ASN A 37 -10.490 -1.457 -9.048 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.949 -2.089 -8.008 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -11.261 -1.145 -9.961 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.660 -2.573 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.274 -0.937 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.895 -0.089 -9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.501 -1.772 -9.821 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.908 -0.649 -10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.251 -1.383 -9.896 1.00 0.00 H new ATOM 625 N LYS A 38 -8.354 0.076 -5.660 1.00 0.00 N ATOM 626 CA LYS A 38 -8.873 1.053 -4.706 1.00 0.00 C ATOM 627 C LYS A 38 -7.718 1.793 -4.044 1.00 0.00 C ATOM 628 O LYS A 38 -6.577 1.317 -4.057 1.00 0.00 O ATOM 629 CB LYS A 38 -9.763 0.364 -3.644 1.00 0.00 C ATOM 630 CG LYS A 38 -10.861 1.320 -3.148 1.00 0.00 C ATOM 631 CD LYS A 38 -11.973 1.414 -4.205 1.00 0.00 C ATOM 632 CE LYS A 38 -13.159 2.224 -3.668 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.634 1.642 -2.385 1.00 0.00 N ATOM 0 H LYS A 38 -7.495 -0.390 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.490 1.773 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.218 -0.530 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.149 0.040 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.271 0.962 -2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.440 2.307 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.585 1.883 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.305 0.413 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.863 3.262 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.969 2.226 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.653 1.443 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.120 0.758 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.462 2.317 -1.613 1.00 0.00 H new ATOM 647 N TYR A 39 -8.008 2.976 -3.527 1.00 0.00 N ATOM 648 CA TYR A 39 -7.000 3.826 -2.895 1.00 0.00 C ATOM 649 C TYR A 39 -6.054 3.001 -2.031 1.00 0.00 C ATOM 650 O TYR A 39 -6.488 2.299 -1.116 1.00 0.00 O ATOM 651 CB TYR A 39 -7.670 4.911 -2.032 1.00 0.00 C ATOM 652 CG TYR A 39 -9.096 4.514 -1.713 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.359 3.554 -0.727 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.149 5.102 -2.405 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.671 3.185 -0.437 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.459 4.732 -2.118 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.724 3.772 -1.132 1.00 0.00 C ATOM 658 OH TYR A 39 -13.025 3.399 -0.858 1.00 0.00 O ATOM 0 H TYR A 39 -8.946 3.378 -3.531 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.425 4.303 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.108 5.051 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.659 5.865 -2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.541 3.098 -0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.950 5.844 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.870 2.446 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.276 5.187 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.642 4.051 -1.251 1.00 0.00 H new ATOM 668 N ASN A 40 -4.767 3.103 -2.323 1.00 0.00 N ATOM 669 CA ASN A 40 -3.737 2.365 -1.594 1.00 0.00 C ATOM 670 C ASN A 40 -3.906 2.505 -0.079 1.00 0.00 C ATOM 671 O ASN A 40 -4.402 3.525 0.413 1.00 0.00 O ATOM 672 CB ASN A 40 -2.342 2.834 -2.015 1.00 0.00 C ATOM 673 CG ASN A 40 -2.063 4.230 -1.457 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.263 5.231 -2.152 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.619 4.359 -0.245 1.00 0.00 N ATOM 0 H ASN A 40 -4.404 3.696 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.850 1.311 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.590 2.133 -1.653 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.268 2.848 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.435 5.288 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.454 3.532 0.328 1.00 0.00 H new ATOM 682 N PRO A 41 -3.490 1.510 0.664 1.00 0.00 N ATOM 683 CA PRO A 41 -3.596 1.504 2.153 1.00 0.00 C ATOM 684 C PRO A 41 -2.578 2.424 2.803 1.00 0.00 C ATOM 685 O PRO A 41 -1.543 2.751 2.200 1.00 0.00 O ATOM 686 CB PRO A 41 -3.312 0.052 2.521 1.00 0.00 C ATOM 687 CG PRO A 41 -2.390 -0.420 1.451 1.00 0.00 C ATOM 688 CD PRO A 41 -2.858 0.266 0.166 1.00 0.00 C ATOM 0 HA PRO A 41 -4.567 1.862 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.853 -0.027 3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.228 -0.539 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.357 -0.158 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.429 -1.505 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.025 0.477 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.565 -0.352 -0.387 1.00 0.00 H new ATOM 696 N SER A 42 -2.829 2.761 4.053 1.00 0.00 N ATOM 697 CA SER A 42 -1.891 3.531 4.838 1.00 0.00 C ATOM 698 C SER A 42 -0.590 2.751 4.974 1.00 0.00 C ATOM 699 O SER A 42 -0.587 1.513 4.866 1.00 0.00 O ATOM 700 CB SER A 42 -2.492 3.813 6.219 1.00 0.00 C ATOM 701 OG SER A 42 -3.728 3.094 6.361 1.00 0.00 O ATOM 0 H SER A 42 -3.684 2.509 4.548 1.00 0.00 H new ATOM 0 HA SER A 42 -1.685 4.481 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.793 3.513 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.665 4.882 6.340 1.00 0.00 H new ATOM 0 HG SER A 42 -4.111 3.273 7.245 1.00 0.00 H new ATOM 707 N LEU A 43 0.508 3.448 5.183 1.00 0.00 N ATOM 708 CA LEU A 43 1.796 2.785 5.257 1.00 0.00 C ATOM 709 C LEU A 43 1.809 1.796 6.415 1.00 0.00 C ATOM 710 O LEU A 43 2.188 0.641 6.242 1.00 0.00 O ATOM 711 CB LEU A 43 2.935 3.814 5.415 1.00 0.00 C ATOM 712 CG LEU A 43 4.307 3.102 5.456 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.525 2.295 4.169 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.426 4.143 5.584 1.00 0.00 C ATOM 0 H LEU A 43 0.537 4.460 5.303 1.00 0.00 H new ATOM 0 HA LEU A 43 1.958 2.241 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.911 4.522 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.789 4.389 6.330 1.00 0.00 H new ATOM 0 HG LEU A 43 4.324 2.429 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.495 1.799 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.738 1.547 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.497 2.965 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.391 3.638 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.395 4.818 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.288 4.714 6.502 1.00 0.00 H new ATOM 726 N GLN A 44 1.300 2.210 7.565 1.00 0.00 N ATOM 727 CA GLN A 44 1.235 1.315 8.707 1.00 0.00 C ATOM 728 C GLN A 44 0.359 0.119 8.380 1.00 0.00 C ATOM 729 O GLN A 44 0.727 -1.023 8.647 1.00 0.00 O ATOM 730 CB GLN A 44 0.647 2.044 9.918 1.00 0.00 C ATOM 731 CG GLN A 44 0.574 1.080 11.108 1.00 0.00 C ATOM 732 CD GLN A 44 -0.368 1.627 12.154 1.00 0.00 C ATOM 733 OE1 GLN A 44 0.044 1.917 13.268 1.00 0.00 O ATOM 734 NE2 GLN A 44 -1.618 1.786 11.856 1.00 0.00 N ATOM 0 H GLN A 44 0.931 3.146 7.730 1.00 0.00 H new ATOM 0 HA GLN A 44 2.246 0.979 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.264 2.906 10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.347 2.422 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.231 0.101 10.774 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.567 0.941 11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.955 1.542 10.925 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.265 2.155 12.552 1.00 0.00 H new ATOM 743 N LEU A 45 -0.794 0.377 7.793 1.00 0.00 N ATOM 744 CA LEU A 45 -1.698 -0.702 7.442 1.00 0.00 C ATOM 745 C LEU A 45 -1.005 -1.609 6.439 1.00 0.00 C ATOM 746 O LEU A 45 -0.956 -2.828 6.612 1.00 0.00 O ATOM 747 CB LEU A 45 -3.021 -0.145 6.868 1.00 0.00 C ATOM 748 CG LEU A 45 -4.167 -1.176 7.010 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.896 -2.397 6.133 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.307 -1.620 8.479 1.00 0.00 C ATOM 0 H LEU A 45 -1.124 1.311 7.552 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.950 -1.275 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.288 0.775 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.886 0.111 5.817 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.095 -0.703 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.711 -3.113 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.824 -2.087 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.959 -2.863 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.116 -2.345 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.375 -2.076 8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.529 -0.753 9.101 1.00 0.00 H new ATOM 762 N ALA A 46 -0.335 -0.990 5.474 1.00 0.00 N ATOM 763 CA ALA A 46 0.457 -1.734 4.514 1.00 0.00 C ATOM 764 C ALA A 46 1.554 -2.518 5.232 1.00 0.00 C ATOM 765 O ALA A 46 1.785 -3.693 4.939 1.00 0.00 O ATOM 766 CB ALA A 46 1.069 -0.782 3.481 1.00 0.00 C ATOM 0 H ALA A 46 -0.327 0.021 5.339 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.192 -2.439 3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.661 -1.353 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.273 -0.256 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.709 -0.059 3.987 1.00 0.00 H new ATOM 772 N LEU A 47 2.174 -1.890 6.228 1.00 0.00 N ATOM 773 CA LEU A 47 3.191 -2.568 7.030 1.00 0.00 C ATOM 774 C LEU A 47 2.581 -3.744 7.765 1.00 0.00 C ATOM 775 O LEU A 47 3.137 -4.848 7.765 1.00 0.00 O ATOM 776 CB LEU A 47 3.835 -1.597 8.026 1.00 0.00 C ATOM 777 CG LEU A 47 4.719 -0.590 7.276 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.131 0.535 8.224 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.980 -1.299 6.763 1.00 0.00 C ATOM 0 H LEU A 47 1.993 -0.923 6.498 1.00 0.00 H new ATOM 0 HA LEU A 47 3.967 -2.935 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.062 -1.070 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.432 -2.149 8.751 1.00 0.00 H new ATOM 0 HG LEU A 47 4.160 -0.177 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.758 1.249 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.241 1.042 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.688 0.118 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.608 -0.585 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.534 -1.711 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.695 -2.105 6.087 1.00 0.00 H new ATOM 791 N LYS A 48 1.386 -3.536 8.304 1.00 0.00 N ATOM 792 CA LYS A 48 0.672 -4.616 8.965 1.00 0.00 C ATOM 793 C LYS A 48 0.383 -5.727 7.980 1.00 0.00 C ATOM 794 O LYS A 48 0.557 -6.911 8.295 1.00 0.00 O ATOM 795 CB LYS A 48 -0.630 -4.109 9.594 1.00 0.00 C ATOM 796 CG LYS A 48 -0.287 -3.202 10.786 1.00 0.00 C ATOM 797 CD LYS A 48 -1.568 -2.650 11.423 1.00 0.00 C ATOM 798 CE LYS A 48 -1.195 -1.790 12.634 1.00 0.00 C ATOM 799 NZ LYS A 48 -0.475 -2.631 13.624 1.00 0.00 N ATOM 0 H LYS A 48 0.898 -2.641 8.296 1.00 0.00 H new ATOM 0 HA LYS A 48 1.303 -5.006 9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.215 -3.558 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.242 -4.949 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.282 -3.764 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.346 -2.379 10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.123 -2.056 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.219 -3.469 11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.567 -0.955 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.092 -1.365 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.800 -2.393 14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.668 -3.635 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.547 -2.455 13.551 1.00 0.00 H new ATOM 813 N ILE A 49 0.015 -5.350 6.768 1.00 0.00 N ATOM 814 CA ILE A 49 -0.226 -6.334 5.734 1.00 0.00 C ATOM 815 C ILE A 49 1.078 -7.079 5.467 1.00 0.00 C ATOM 816 O ILE A 49 1.105 -8.316 5.423 1.00 0.00 O ATOM 817 CB ILE A 49 -0.728 -5.653 4.447 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.097 -5.031 4.712 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.885 -6.699 3.333 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.541 -4.203 3.505 1.00 0.00 C ATOM 0 H ILE A 49 -0.122 -4.381 6.480 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.995 -7.034 6.062 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.011 -4.890 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.828 -5.814 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.053 -4.400 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.240 -6.213 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.078 -7.171 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.604 -7.457 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.518 -3.764 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.817 -3.409 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.604 -4.845 2.627 1.00 0.00 H new ATOM 832 N ALA A 50 2.169 -6.322 5.377 1.00 0.00 N ATOM 833 CA ALA A 50 3.495 -6.902 5.166 1.00 0.00 C ATOM 834 C ALA A 50 3.827 -7.891 6.266 1.00 0.00 C ATOM 835 O ALA A 50 4.233 -9.027 5.994 1.00 0.00 O ATOM 836 CB ALA A 50 4.561 -5.799 5.126 1.00 0.00 C ATOM 0 H ALA A 50 2.162 -5.304 5.447 1.00 0.00 H new ATOM 0 HA ALA A 50 3.487 -7.426 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.542 -6.247 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.341 -5.110 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.558 -5.256 6.071 1.00 0.00 H new ATOM 842 N TYR A 51 3.668 -7.459 7.506 1.00 0.00 N ATOM 843 CA TYR A 51 3.960 -8.327 8.639 1.00 0.00 C ATOM 844 C TYR A 51 3.045 -9.533 8.634 1.00 0.00 C ATOM 845 O TYR A 51 3.482 -10.661 8.895 1.00 0.00 O ATOM 846 CB TYR A 51 3.782 -7.584 9.968 1.00 0.00 C ATOM 847 CG TYR A 51 4.805 -6.479 10.117 1.00 0.00 C ATOM 848 CD1 TYR A 51 6.176 -6.777 10.102 1.00 0.00 C ATOM 849 CD2 TYR A 51 4.382 -5.157 10.294 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.116 -5.754 10.258 1.00 0.00 C ATOM 851 CE2 TYR A 51 5.322 -4.136 10.448 1.00 0.00 C ATOM 852 CZ TYR A 51 6.686 -4.431 10.437 1.00 0.00 C ATOM 853 OH TYR A 51 7.610 -3.421 10.595 1.00 0.00 O ATOM 0 H TYR A 51 3.343 -6.525 7.754 1.00 0.00 H new ATOM 0 HA TYR A 51 4.998 -8.647 8.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.778 -7.163 10.021 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.878 -8.286 10.796 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.505 -7.797 9.970 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.327 -4.926 10.312 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.172 -5.982 10.241 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.993 -3.115 10.576 1.00 0.00 H new ATOM 0 HH TYR A 51 7.144 -2.566 10.706 1.00 0.00 H new ATOM 863 N TYR A 52 1.759 -9.290 8.437 1.00 0.00 N ATOM 864 CA TYR A 52 0.781 -10.357 8.534 1.00 0.00 C ATOM 865 C TYR A 52 0.980 -11.461 7.527 1.00 0.00 C ATOM 866 O TYR A 52 0.969 -12.634 7.898 1.00 0.00 O ATOM 867 CB TYR A 52 -0.654 -9.837 8.518 1.00 0.00 C ATOM 868 CG TYR A 52 -1.128 -9.723 9.946 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.335 -10.890 10.692 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.356 -8.472 10.527 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.769 -10.814 12.012 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.788 -8.400 11.858 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.994 -9.574 12.595 1.00 0.00 C ATOM 874 OH TYR A 52 -2.417 -9.505 13.899 1.00 0.00 O ATOM 0 H TYR A 52 1.373 -8.373 8.211 1.00 0.00 H new ATOM 0 HA TYR A 52 0.957 -10.808 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.702 -8.867 8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.298 -10.514 7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.157 -11.855 10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.201 -7.569 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.930 -11.717 12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.963 -7.438 12.317 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.527 -8.566 14.158 1.00 0.00 H new ATOM 884 N LEU A 53 1.188 -11.118 6.265 1.00 0.00 N ATOM 885 CA LEU A 53 1.412 -12.162 5.273 1.00 0.00 C ATOM 886 C LEU A 53 2.872 -12.520 5.110 1.00 0.00 C ATOM 887 O LEU A 53 3.202 -13.473 4.416 1.00 0.00 O ATOM 888 CB LEU A 53 0.689 -11.926 3.930 1.00 0.00 C ATOM 889 CG LEU A 53 1.080 -10.597 3.256 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.591 -10.400 3.264 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.621 -10.656 1.807 1.00 0.00 C ATOM 0 H LEU A 53 1.207 -10.162 5.910 1.00 0.00 H new ATOM 0 HA LEU A 53 0.931 -13.047 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.916 -12.750 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.388 -11.938 4.097 1.00 0.00 H new ATOM 0 HG LEU A 53 0.615 -9.774 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.837 -9.454 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.951 -10.387 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.067 -11.218 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.885 -9.726 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.108 -11.492 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.460 -10.793 1.773 1.00 0.00 H new ATOM 903 N ASN A 54 3.750 -11.749 5.747 1.00 0.00 N ATOM 904 CA ASN A 54 5.196 -11.994 5.685 1.00 0.00 C ATOM 905 C ASN A 54 5.784 -11.641 4.329 1.00 0.00 C ATOM 906 O ASN A 54 6.092 -12.525 3.506 1.00 0.00 O ATOM 907 CB ASN A 54 5.543 -13.438 6.065 1.00 0.00 C ATOM 908 CG ASN A 54 5.797 -13.527 7.560 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.923 -13.317 8.013 1.00 0.00 O ATOM 910 ND2 ASN A 54 4.817 -13.798 8.358 1.00 0.00 N ATOM 0 H ASN A 54 3.487 -10.944 6.316 1.00 0.00 H new ATOM 0 HA ASN A 54 5.650 -11.331 6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.727 -14.104 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.426 -13.767 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.975 -13.838 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.885 -13.972 7.981 1.00 0.00 H new ATOM 917 N THR A 55 5.965 -10.360 4.114 1.00 0.00 N ATOM 918 CA THR A 55 6.601 -9.829 2.922 1.00 0.00 C ATOM 919 C THR A 55 6.948 -8.366 3.183 1.00 0.00 C ATOM 920 O THR A 55 6.208 -7.685 3.886 1.00 0.00 O ATOM 921 CB THR A 55 5.660 -9.965 1.701 1.00 0.00 C ATOM 922 OG1 THR A 55 5.536 -11.343 1.337 1.00 0.00 O ATOM 923 CG2 THR A 55 6.206 -9.173 0.507 1.00 0.00 C ATOM 0 H THR A 55 5.670 -9.639 4.773 1.00 0.00 H new ATOM 0 HA THR A 55 7.509 -10.389 2.697 1.00 0.00 H new ATOM 0 HB THR A 55 4.683 -9.566 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.052 -11.894 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.530 -9.281 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.286 -8.119 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.191 -9.554 0.237 1.00 0.00 H new ATOM 931 N PRO A 56 8.048 -7.875 2.668 1.00 0.00 N ATOM 932 CA PRO A 56 8.432 -6.448 2.850 1.00 0.00 C ATOM 933 C PRO A 56 7.428 -5.514 2.174 1.00 0.00 C ATOM 934 O PRO A 56 6.722 -5.907 1.241 1.00 0.00 O ATOM 935 CB PRO A 56 9.820 -6.352 2.203 1.00 0.00 C ATOM 936 CG PRO A 56 9.860 -7.481 1.231 1.00 0.00 C ATOM 937 CD PRO A 56 9.051 -8.610 1.876 1.00 0.00 C ATOM 0 HA PRO A 56 8.443 -6.145 3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.959 -5.393 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.611 -6.441 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.430 -7.189 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.886 -7.795 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.586 -9.253 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.674 -9.248 2.503 1.00 0.00 H new ATOM 945 N LEU A 57 7.330 -4.313 2.700 1.00 0.00 N ATOM 946 CA LEU A 57 6.338 -3.339 2.258 1.00 0.00 C ATOM 947 C LEU A 57 6.506 -3.057 0.778 1.00 0.00 C ATOM 948 O LEU A 57 5.520 -2.958 0.030 1.00 0.00 O ATOM 949 CB LEU A 57 6.544 -2.029 3.051 1.00 0.00 C ATOM 950 CG LEU A 57 5.252 -1.199 3.100 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.794 -0.825 1.692 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.150 -1.993 3.801 1.00 0.00 C ATOM 0 H LEU A 57 7.935 -3.977 3.449 1.00 0.00 H new ATOM 0 HA LEU A 57 5.338 -3.735 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.868 -2.262 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.339 -1.443 2.589 1.00 0.00 H new ATOM 0 HG LEU A 57 5.454 -0.284 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.878 -0.238 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.570 -0.238 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.607 -1.732 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.237 -1.399 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.963 -2.917 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.463 -2.231 4.818 1.00 0.00 H new ATOM 964 N GLU A 58 7.742 -2.946 0.355 1.00 0.00 N ATOM 965 CA GLU A 58 8.050 -2.605 -1.014 1.00 0.00 C ATOM 966 C GLU A 58 7.410 -3.605 -1.970 1.00 0.00 C ATOM 967 O GLU A 58 6.937 -3.230 -3.041 1.00 0.00 O ATOM 968 CB GLU A 58 9.569 -2.638 -1.205 1.00 0.00 C ATOM 969 CG GLU A 58 10.232 -1.523 -0.381 1.00 0.00 C ATOM 970 CD GLU A 58 11.749 -1.614 -0.493 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.225 -2.509 -1.153 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.418 -0.787 0.089 1.00 0.00 O ATOM 0 H GLU A 58 8.560 -3.089 0.947 1.00 0.00 H new ATOM 0 HA GLU A 58 7.659 -1.610 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.960 -3.608 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.813 -2.514 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.892 -0.549 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.932 -1.606 0.664 1.00 0.00 H new ATOM 979 N ASP A 59 7.481 -4.880 -1.618 1.00 0.00 N ATOM 980 CA ASP A 59 6.975 -5.938 -2.491 1.00 0.00 C ATOM 981 C ASP A 59 5.460 -5.846 -2.626 1.00 0.00 C ATOM 982 O ASP A 59 4.911 -5.907 -3.732 1.00 0.00 O ATOM 983 CB ASP A 59 7.342 -7.305 -1.904 1.00 0.00 C ATOM 984 CG ASP A 59 7.329 -8.386 -2.975 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.718 -8.100 -4.085 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.966 -9.497 -2.665 1.00 0.00 O ATOM 0 H ASP A 59 7.881 -5.210 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 59 7.426 -5.819 -3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.330 -7.254 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.638 -7.565 -1.113 1.00 0.00 H new ATOM 991 N ILE A 60 4.794 -5.753 -1.485 1.00 0.00 N ATOM 992 CA ILE A 60 3.334 -5.727 -1.433 1.00 0.00 C ATOM 993 C ILE A 60 2.750 -4.419 -1.939 1.00 0.00 C ATOM 994 O ILE A 60 1.769 -4.423 -2.693 1.00 0.00 O ATOM 995 CB ILE A 60 2.858 -6.005 -0.006 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.535 -5.031 0.960 1.00 0.00 C ATOM 997 CG2 ILE A 60 3.211 -7.435 0.396 1.00 0.00 C ATOM 998 CD1 ILE A 60 3.052 -5.303 2.370 1.00 0.00 C ATOM 0 H ILE A 60 5.244 -5.694 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 60 2.975 -6.510 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 60 1.777 -5.875 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.618 -5.143 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.306 -4.003 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.868 -7.622 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.726 -8.135 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.291 -7.571 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.534 -4.610 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.971 -5.169 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.303 -6.326 2.650 1.00 0.00 H new ATOM 1010 N PHE A 61 3.339 -3.307 -1.517 1.00 0.00 N ATOM 1011 CA PHE A 61 2.859 -1.992 -1.907 1.00 0.00 C ATOM 1012 C PHE A 61 4.016 -1.112 -2.313 1.00 0.00 C ATOM 1013 O PHE A 61 4.406 -0.193 -1.575 1.00 0.00 O ATOM 1014 CB PHE A 61 2.092 -1.329 -0.745 1.00 0.00 C ATOM 1015 CG PHE A 61 0.810 -2.080 -0.466 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.314 -1.856 -1.261 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.742 -2.988 0.601 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.504 -2.544 -1.004 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.446 -3.678 0.857 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.573 -3.452 0.057 1.00 0.00 C ATOM 0 H PHE A 61 4.153 -3.292 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 61 2.184 -2.114 -2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.715 -1.314 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.867 -0.292 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.265 -1.150 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.608 -3.154 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.371 -2.374 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.495 -4.385 1.672 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.494 -3.978 0.259 1.00 0.00 H new