USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 56 ASN :FLIP amide:sc= -0.37! C(o=-7.9!,f=-7.8!) USER MOD Set 1.2: A 58 ASN : amide:sc= -7.4! C(o=-7.8!,f=-7.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0872 (180deg=-0.744) USER MOD Single : A 9 GLN : amide:sc= -0.0595 K(o=-0.059,f=-7.2!) USER MOD Single : A 11 ASN : amide:sc= -2.72! C(o=-2.7!,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 1:sc= 0.846 USER MOD Single : A 17 CYS SG : rot -170:sc= -6.9! USER MOD Single : A 22 GLN :FLIP amide:sc= -0.148 F(o=-0.7,f=-0.15) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 7:sc= 0.482 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.377 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.017) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= -0.0997 (180deg=-0.589) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 69 THR OG1 : rot 140:sc= -0.0376 USER MOD Single : A 70 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.62) USER MOD Single : A 71 TYR OH : rot -69:sc= 2.05 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -31:sc= 0.164 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.815 -1.878 -2.793 1.00 0.00 N ATOM 21 CA GLU A 2 11.580 -1.915 -3.626 1.00 0.00 C ATOM 22 C GLU A 2 10.768 -3.165 -3.281 1.00 0.00 C ATOM 23 O GLU A 2 11.244 -4.277 -3.398 1.00 0.00 O ATOM 24 CB GLU A 2 11.964 -1.951 -5.107 1.00 0.00 C ATOM 25 CG GLU A 2 12.866 -0.758 -5.431 1.00 0.00 C ATOM 26 CD GLU A 2 13.406 -0.898 -6.855 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.730 -0.459 -7.770 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.488 -1.442 -7.006 1.00 0.00 O ATOM 0 HA GLU A 2 10.982 -1.026 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.480 -2.883 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.068 -1.921 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.306 0.172 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.692 -0.709 -4.721 1.00 0.00 H new ATOM 35 N TRP A 3 9.544 -2.991 -2.855 1.00 0.00 N ATOM 36 CA TRP A 3 8.692 -4.168 -2.500 1.00 0.00 C ATOM 37 C TRP A 3 7.788 -4.517 -3.683 1.00 0.00 C ATOM 38 O TRP A 3 7.687 -3.770 -4.637 1.00 0.00 O ATOM 39 CB TRP A 3 7.827 -3.818 -1.287 1.00 0.00 C ATOM 40 CG TRP A 3 8.693 -3.272 -0.197 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.300 -2.063 -0.220 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.060 -3.891 1.069 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.016 -1.901 0.952 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.900 -3.001 1.779 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.750 -5.127 1.665 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.413 -3.324 3.035 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.264 -5.456 2.930 1.00 0.00 C ATOM 48 CH2 TRP A 3 10.095 -4.556 3.613 1.00 0.00 C ATOM 0 H TRP A 3 9.095 -2.083 -2.737 1.00 0.00 H new ATOM 0 HA TRP A 3 9.328 -5.021 -2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.070 -3.085 -1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.298 -4.704 -0.936 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.236 -1.343 -1.022 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.563 -1.070 1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.112 -5.828 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.052 -2.627 3.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 9.018 -6.407 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.489 -4.815 4.585 1.00 0.00 H new ATOM 59 N TRP A 4 7.129 -5.649 -3.625 1.00 0.00 N ATOM 60 CA TRP A 4 6.219 -6.071 -4.740 1.00 0.00 C ATOM 61 C TRP A 4 4.812 -6.292 -4.184 1.00 0.00 C ATOM 62 O TRP A 4 4.630 -6.944 -3.175 1.00 0.00 O ATOM 63 CB TRP A 4 6.736 -7.377 -5.345 1.00 0.00 C ATOM 64 CG TRP A 4 8.132 -7.178 -5.843 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.217 -6.992 -5.056 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.611 -7.139 -7.218 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.332 -6.843 -5.861 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.010 -6.925 -7.201 1.00 0.00 C ATOM 69 CE3 TRP A 4 7.975 -7.268 -8.465 1.00 0.00 C ATOM 70 CZ2 TRP A 4 10.751 -6.842 -8.381 1.00 0.00 C ATOM 71 CZ3 TRP A 4 8.718 -7.185 -9.654 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.104 -6.972 -9.611 1.00 0.00 C ATOM 0 H TRP A 4 7.182 -6.306 -2.846 1.00 0.00 H new ATOM 0 HA TRP A 4 6.193 -5.297 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.715 -8.170 -4.597 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.088 -7.693 -6.163 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.213 -6.964 -3.976 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.277 -6.691 -5.508 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.908 -7.432 -8.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.818 -6.678 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.220 -7.286 -10.607 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.670 -6.909 -10.529 1.00 0.00 H new ATOM 83 N VAL A 5 3.815 -5.751 -4.829 1.00 0.00 N ATOM 84 CA VAL A 5 2.424 -5.928 -4.331 1.00 0.00 C ATOM 85 C VAL A 5 1.923 -7.329 -4.688 1.00 0.00 C ATOM 86 O VAL A 5 2.142 -7.819 -5.779 1.00 0.00 O ATOM 87 CB VAL A 5 1.516 -4.881 -4.978 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.043 -3.481 -4.659 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.499 -5.086 -6.494 1.00 0.00 C ATOM 0 H VAL A 5 3.905 -5.194 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 5 2.409 -5.805 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 5 0.504 -4.987 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.396 -2.735 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.054 -3.334 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.055 -3.375 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.852 -4.340 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.510 -4.981 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.123 -6.083 -6.722 1.00 0.00 H new ATOM 99 N LYS A 6 1.245 -7.975 -3.774 1.00 0.00 N ATOM 100 CA LYS A 6 0.711 -9.348 -4.040 1.00 0.00 C ATOM 101 C LYS A 6 -0.791 -9.241 -4.338 1.00 0.00 C ATOM 102 O LYS A 6 -1.311 -9.894 -5.220 1.00 0.00 O ATOM 103 CB LYS A 6 0.944 -10.225 -2.792 1.00 0.00 C ATOM 104 CG LYS A 6 1.108 -11.698 -3.192 1.00 0.00 C ATOM 105 CD LYS A 6 -0.090 -12.150 -4.036 1.00 0.00 C ATOM 106 CE LYS A 6 -0.173 -13.680 -4.038 1.00 0.00 C ATOM 107 NZ LYS A 6 -1.333 -14.112 -4.868 1.00 0.00 N ATOM 0 H LYS A 6 1.036 -7.608 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 6 1.218 -9.799 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.834 -9.885 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.104 -10.120 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.031 -11.829 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.189 -12.319 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.011 -11.727 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.012 -11.780 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.750 -14.105 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.283 -14.051 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.391 -15.150 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.210 -13.717 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.209 -13.770 -5.842 1.00 0.00 H new ATOM 121 N LYS A 7 -1.486 -8.412 -3.606 1.00 0.00 N ATOM 122 CA LYS A 7 -2.952 -8.248 -3.835 1.00 0.00 C ATOM 123 C LYS A 7 -3.366 -6.831 -3.433 1.00 0.00 C ATOM 124 O LYS A 7 -2.638 -6.133 -2.754 1.00 0.00 O ATOM 125 CB LYS A 7 -3.715 -9.266 -2.981 1.00 0.00 C ATOM 126 CG LYS A 7 -5.156 -9.387 -3.484 1.00 0.00 C ATOM 127 CD LYS A 7 -5.873 -10.501 -2.720 1.00 0.00 C ATOM 128 CE LYS A 7 -7.313 -10.622 -3.222 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.307 -10.865 -4.691 1.00 0.00 N ATOM 0 H LYS A 7 -1.100 -7.839 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.183 -8.412 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.221 -10.237 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.709 -8.955 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.681 -8.442 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.162 -9.602 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.348 -11.446 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.866 -10.286 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.821 -11.439 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.866 -9.711 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.198 -11.323 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.211 -9.959 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.508 -11.483 -4.937 1.00 0.00 H new ATOM 143 N VAL A 8 -4.527 -6.396 -3.844 1.00 0.00 N ATOM 144 CA VAL A 8 -4.977 -5.021 -3.477 1.00 0.00 C ATOM 145 C VAL A 8 -6.501 -4.934 -3.559 1.00 0.00 C ATOM 146 O VAL A 8 -7.126 -5.552 -4.399 1.00 0.00 O ATOM 147 CB VAL A 8 -4.353 -4.002 -4.436 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.644 -4.414 -5.880 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.948 -2.610 -4.170 1.00 0.00 C ATOM 0 H VAL A 8 -5.181 -6.930 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.660 -4.802 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.275 -3.970 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.200 -3.689 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.218 -5.399 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.722 -4.448 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.502 -1.887 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.026 -2.639 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.738 -2.315 -3.142 1.00 0.00 H new ATOM 159 N GLN A 9 -7.099 -4.161 -2.686 1.00 0.00 N ATOM 160 CA GLN A 9 -8.588 -4.002 -2.685 1.00 0.00 C ATOM 161 C GLN A 9 -8.931 -2.511 -2.727 1.00 0.00 C ATOM 162 O GLN A 9 -8.427 -1.726 -1.948 1.00 0.00 O ATOM 163 CB GLN A 9 -9.163 -4.618 -1.407 1.00 0.00 C ATOM 164 CG GLN A 9 -8.546 -6.001 -1.186 1.00 0.00 C ATOM 165 CD GLN A 9 -9.295 -6.720 -0.061 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.990 -6.537 1.100 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.268 -7.537 -0.360 1.00 0.00 N ATOM 0 H GLN A 9 -6.613 -3.627 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.013 -4.504 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.953 -3.974 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.247 -4.700 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.599 -6.586 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.491 -5.904 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.524 -7.690 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.773 -8.022 0.382 1.00 0.00 H new ATOM 176 N ASP A 10 -9.781 -2.111 -3.633 1.00 0.00 N ATOM 177 CA ASP A 10 -10.149 -0.671 -3.727 1.00 0.00 C ATOM 178 C ASP A 10 -10.684 -0.187 -2.377 1.00 0.00 C ATOM 179 O ASP A 10 -10.881 -0.960 -1.461 1.00 0.00 O ATOM 180 CB ASP A 10 -11.224 -0.484 -4.800 1.00 0.00 C ATOM 181 CG ASP A 10 -12.373 -1.461 -4.548 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.227 -2.620 -4.901 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.380 -1.035 -4.006 1.00 0.00 O ATOM 0 H ASP A 10 -10.237 -2.720 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.266 -0.091 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.594 0.541 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.799 -0.654 -5.789 1.00 0.00 H new ATOM 188 N ASN A 11 -10.918 1.092 -2.248 1.00 0.00 N ATOM 189 CA ASN A 11 -11.437 1.632 -0.960 1.00 0.00 C ATOM 190 C ASN A 11 -12.907 1.244 -0.803 1.00 0.00 C ATOM 191 O ASN A 11 -13.754 2.075 -0.538 1.00 0.00 O ATOM 192 CB ASN A 11 -11.309 3.158 -0.960 1.00 0.00 C ATOM 193 CG ASN A 11 -11.951 3.722 -2.228 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.170 3.004 -3.184 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.265 4.988 -2.278 1.00 0.00 N ATOM 0 H ASN A 11 -10.772 1.786 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.861 1.219 -0.132 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.794 3.575 -0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.259 3.446 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.694 5.374 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.081 5.591 -1.476 1.00 0.00 H new ATOM 202 N ALA A 12 -13.217 -0.011 -0.967 1.00 0.00 N ATOM 203 CA ALA A 12 -14.631 -0.453 -0.830 1.00 0.00 C ATOM 204 C ALA A 12 -15.200 0.057 0.496 1.00 0.00 C ATOM 205 O ALA A 12 -16.394 0.041 0.717 1.00 0.00 O ATOM 206 CB ALA A 12 -14.686 -1.980 -0.859 1.00 0.00 C ATOM 0 H ALA A 12 -12.551 -0.750 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.222 -0.051 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.720 -2.309 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.280 -2.341 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.096 -2.381 -0.035 1.00 0.00 H new ATOM 212 N SER A 13 -14.354 0.511 1.383 1.00 0.00 N ATOM 213 CA SER A 13 -14.849 1.023 2.693 1.00 0.00 C ATOM 214 C SER A 13 -15.330 2.466 2.527 1.00 0.00 C ATOM 215 O SER A 13 -16.392 2.831 2.987 1.00 0.00 O ATOM 216 CB SER A 13 -13.715 0.978 3.719 1.00 0.00 C ATOM 217 OG SER A 13 -14.258 1.118 5.025 1.00 0.00 O ATOM 0 H SER A 13 -13.343 0.549 1.256 1.00 0.00 H new ATOM 0 HA SER A 13 -15.676 0.402 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.172 0.036 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.999 1.776 3.523 1.00 0.00 H new ATOM 0 HG SER A 13 -13.534 1.088 5.685 1.00 0.00 H new ATOM 223 N ALA A 14 -14.552 3.284 1.869 1.00 0.00 N ATOM 224 CA ALA A 14 -14.949 4.707 1.664 1.00 0.00 C ATOM 225 C ALA A 14 -13.745 5.481 1.117 1.00 0.00 C ATOM 226 O ALA A 14 -13.867 6.289 0.218 1.00 0.00 O ATOM 227 CB ALA A 14 -15.401 5.317 3.004 1.00 0.00 C ATOM 0 H ALA A 14 -13.653 3.025 1.462 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.775 4.765 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.690 6.357 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.252 4.756 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.581 5.270 3.720 1.00 0.00 H new ATOM 233 N SER A 15 -12.582 5.236 1.657 1.00 0.00 N ATOM 234 CA SER A 15 -11.367 5.951 1.176 1.00 0.00 C ATOM 235 C SER A 15 -10.123 5.282 1.763 1.00 0.00 C ATOM 236 O SER A 15 -9.138 5.929 2.057 1.00 0.00 O ATOM 237 CB SER A 15 -11.421 7.412 1.627 1.00 0.00 C ATOM 238 OG SER A 15 -12.435 8.090 0.898 1.00 0.00 O ATOM 0 H SER A 15 -12.421 4.570 2.412 1.00 0.00 H new ATOM 0 HA SER A 15 -11.326 5.910 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.626 7.467 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.456 7.892 1.463 1.00 0.00 H new ATOM 0 HG SER A 15 -12.873 7.462 0.286 1.00 0.00 H new ATOM 244 N LEU A 16 -10.164 3.984 1.936 1.00 0.00 N ATOM 245 CA LEU A 16 -8.989 3.255 2.507 1.00 0.00 C ATOM 246 C LEU A 16 -8.786 1.945 1.746 1.00 0.00 C ATOM 247 O LEU A 16 -9.543 1.007 1.891 1.00 0.00 O ATOM 248 CB LEU A 16 -9.246 2.937 3.983 1.00 0.00 C ATOM 249 CG LEU A 16 -9.263 4.230 4.810 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.784 3.914 6.215 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.844 4.830 4.906 1.00 0.00 C ATOM 0 H LEU A 16 -10.964 3.395 1.705 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.101 3.880 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.198 2.416 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.472 2.267 4.358 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.913 4.957 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.800 4.827 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.793 3.508 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.130 3.182 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.875 5.746 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.177 4.113 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.476 5.055 3.905 1.00 0.00 H new ATOM 263 N CYS A 17 -7.760 1.873 0.940 1.00 0.00 N ATOM 264 CA CYS A 17 -7.488 0.625 0.171 1.00 0.00 C ATOM 265 C CYS A 17 -6.472 -0.215 0.940 1.00 0.00 C ATOM 266 O CYS A 17 -5.651 0.311 1.660 1.00 0.00 O ATOM 267 CB CYS A 17 -6.911 0.985 -1.199 1.00 0.00 C ATOM 268 SG CYS A 17 -8.223 1.660 -2.245 1.00 0.00 S ATOM 0 H CYS A 17 -7.095 2.630 0.781 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.413 0.064 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.108 1.714 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.476 0.101 -1.666 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.791 1.771 -3.466 1.00 0.00 H new ATOM 274 N ARG A 18 -6.519 -1.515 0.795 1.00 0.00 N ATOM 275 CA ARG A 18 -5.549 -2.399 1.517 1.00 0.00 C ATOM 276 C ARG A 18 -4.643 -3.081 0.496 1.00 0.00 C ATOM 277 O ARG A 18 -5.101 -3.568 -0.518 1.00 0.00 O ATOM 278 CB ARG A 18 -6.319 -3.462 2.305 1.00 0.00 C ATOM 279 CG ARG A 18 -5.341 -4.285 3.145 1.00 0.00 C ATOM 280 CD ARG A 18 -6.119 -5.296 3.990 1.00 0.00 C ATOM 281 NE ARG A 18 -6.894 -6.197 3.093 1.00 0.00 N ATOM 282 CZ ARG A 18 -6.290 -7.163 2.457 1.00 0.00 C ATOM 283 NH1 ARG A 18 -5.005 -7.339 2.606 1.00 0.00 N ATOM 284 NH2 ARG A 18 -6.970 -7.952 1.671 1.00 0.00 N ATOM 0 H ARG A 18 -7.190 -2.006 0.205 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.948 -1.804 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.058 -2.987 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.864 -4.113 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.635 -4.804 2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.757 -3.628 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.432 -5.879 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.792 -4.776 4.671 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.898 -6.059 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.473 -6.721 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.533 -8.094 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.974 -7.814 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.498 -8.707 1.174 1.00 0.00 H new ATOM 298 N VAL A 19 -3.357 -3.114 0.752 1.00 0.00 N ATOM 299 CA VAL A 19 -2.404 -3.761 -0.208 1.00 0.00 C ATOM 300 C VAL A 19 -1.493 -4.730 0.539 1.00 0.00 C ATOM 301 O VAL A 19 -0.954 -4.417 1.582 1.00 0.00 O ATOM 302 CB VAL A 19 -1.537 -2.691 -0.874 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.426 -1.668 -1.581 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.687 -1.988 0.186 1.00 0.00 C ATOM 0 H VAL A 19 -2.924 -2.720 1.587 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.978 -4.299 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.884 -3.164 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.802 -0.909 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.025 -2.170 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.086 -1.195 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.070 -1.226 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.339 -1.519 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.046 -2.718 0.681 1.00 0.00 H new ATOM 314 N VAL A 20 -1.299 -5.904 -0.001 1.00 0.00 N ATOM 315 CA VAL A 20 -0.401 -6.898 0.655 1.00 0.00 C ATOM 316 C VAL A 20 0.974 -6.819 -0.009 1.00 0.00 C ATOM 317 O VAL A 20 1.132 -7.159 -1.164 1.00 0.00 O ATOM 318 CB VAL A 20 -0.967 -8.308 0.483 1.00 0.00 C ATOM 319 CG1 VAL A 20 -0.215 -9.275 1.399 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.452 -8.310 0.854 1.00 0.00 C ATOM 0 H VAL A 20 -1.726 -6.218 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.322 -6.678 1.720 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.849 -8.622 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.618 -10.280 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.843 -9.274 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.333 -8.960 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.856 -9.315 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.568 -7.996 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.990 -7.621 0.204 1.00 0.00 H new ATOM 330 N LEU A 21 1.972 -6.366 0.704 1.00 0.00 N ATOM 331 CA LEU A 21 3.335 -6.255 0.099 1.00 0.00 C ATOM 332 C LEU A 21 4.149 -7.500 0.450 1.00 0.00 C ATOM 333 O LEU A 21 3.854 -8.202 1.396 1.00 0.00 O ATOM 334 CB LEU A 21 4.038 -5.017 0.661 1.00 0.00 C ATOM 335 CG LEU A 21 3.063 -3.841 0.677 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.793 -2.584 1.148 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.510 -3.619 -0.735 1.00 0.00 C ATOM 0 H LEU A 21 1.904 -6.068 1.677 1.00 0.00 H new ATOM 0 HA LEU A 21 3.248 -6.168 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.399 -5.217 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.909 -4.773 0.053 1.00 0.00 H new ATOM 0 HG LEU A 21 2.239 -4.057 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.099 -1.743 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.185 -2.746 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.616 -2.365 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.814 -2.780 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.332 -3.401 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.991 -4.518 -1.068 1.00 0.00 H new ATOM 349 N GLN A 22 5.173 -7.786 -0.313 1.00 0.00 N ATOM 350 CA GLN A 22 6.002 -8.994 -0.031 1.00 0.00 C ATOM 351 C GLN A 22 7.449 -8.738 -0.442 1.00 0.00 C ATOM 352 O GLN A 22 7.725 -7.986 -1.357 1.00 0.00 O ATOM 353 CB GLN A 22 5.445 -10.185 -0.818 1.00 0.00 C ATOM 354 CG GLN A 22 6.378 -11.389 -0.666 1.00 0.00 C ATOM 355 CD GLN A 22 5.670 -12.650 -1.163 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.626 -13.704 -0.395 1.00 0.00 O flip ATOM 357 NE2 GLN A 22 5.149 -12.676 -2.261 1.00 0.00 N flip ATOM 0 H GLN A 22 5.470 -7.235 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 22 5.970 -9.214 1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.448 -10.438 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.345 -9.922 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.294 -11.226 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.667 -11.509 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.183 -11.852 -2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.677 -13.522 -2.582 1.00 0.00 H new ATOM 366 N SER A 23 8.376 -9.358 0.234 1.00 0.00 N ATOM 367 CA SER A 23 9.812 -9.154 -0.109 1.00 0.00 C ATOM 368 C SER A 23 10.646 -10.310 0.449 1.00 0.00 C ATOM 369 O SER A 23 10.316 -10.895 1.462 1.00 0.00 O ATOM 370 CB SER A 23 10.298 -7.838 0.499 1.00 0.00 C ATOM 371 OG SER A 23 11.699 -7.715 0.292 1.00 0.00 O ATOM 0 H SER A 23 8.202 -9.997 1.009 1.00 0.00 H new ATOM 0 HA SER A 23 9.922 -9.120 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.776 -6.998 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.072 -7.811 1.565 1.00 0.00 H new ATOM 0 HG SER A 23 12.014 -6.872 0.679 1.00 0.00 H new ATOM 377 N GLY A 24 11.726 -10.641 -0.204 1.00 0.00 N ATOM 378 CA GLY A 24 12.584 -11.757 0.287 1.00 0.00 C ATOM 379 C GLY A 24 11.745 -13.028 0.425 1.00 0.00 C ATOM 380 O GLY A 24 11.624 -13.808 -0.500 1.00 0.00 O ATOM 0 H GLY A 24 12.052 -10.187 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.408 -11.927 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.025 -11.494 1.249 1.00 0.00 H new ATOM 384 N ALA A 25 11.164 -13.245 1.573 1.00 0.00 N ATOM 385 CA ALA A 25 10.331 -14.465 1.776 1.00 0.00 C ATOM 386 C ALA A 25 9.303 -14.200 2.875 1.00 0.00 C ATOM 387 O ALA A 25 8.893 -15.098 3.584 1.00 0.00 O ATOM 388 CB ALA A 25 11.229 -15.633 2.188 1.00 0.00 C ATOM 0 H ALA A 25 11.230 -12.628 2.382 1.00 0.00 H new ATOM 0 HA ALA A 25 9.816 -14.713 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.620 -16.525 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.964 -15.821 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.744 -15.386 3.117 1.00 0.00 H new ATOM 394 N LEU A 26 8.883 -12.967 3.019 1.00 0.00 N ATOM 395 CA LEU A 26 7.875 -12.616 4.071 1.00 0.00 C ATOM 396 C LEU A 26 6.797 -11.728 3.447 1.00 0.00 C ATOM 397 O LEU A 26 7.077 -10.904 2.600 1.00 0.00 O ATOM 398 CB LEU A 26 8.578 -11.863 5.208 1.00 0.00 C ATOM 399 CG LEU A 26 7.564 -11.430 6.279 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.832 -12.657 6.849 1.00 0.00 C ATOM 401 CD2 LEU A 26 8.312 -10.709 7.406 1.00 0.00 C ATOM 0 H LEU A 26 9.197 -12.182 2.449 1.00 0.00 H new ATOM 0 HA LEU A 26 7.415 -13.520 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.339 -12.501 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.090 -10.987 4.809 1.00 0.00 H new ATOM 0 HG LEU A 26 6.828 -10.763 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.117 -12.335 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.303 -13.171 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.556 -13.336 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.602 -10.397 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.047 -11.384 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.820 -9.833 7.003 1.00 0.00 H new ATOM 413 N GLU A 27 5.566 -11.886 3.864 1.00 0.00 N ATOM 414 CA GLU A 27 4.460 -11.053 3.304 1.00 0.00 C ATOM 415 C GLU A 27 4.114 -9.953 4.304 1.00 0.00 C ATOM 416 O GLU A 27 4.444 -10.040 5.471 1.00 0.00 O ATOM 417 CB GLU A 27 3.228 -11.932 3.065 1.00 0.00 C ATOM 418 CG GLU A 27 3.655 -13.240 2.396 1.00 0.00 C ATOM 419 CD GLU A 27 2.413 -14.049 2.015 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.566 -13.505 1.326 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.331 -15.197 2.419 1.00 0.00 O ATOM 0 H GLU A 27 5.279 -12.561 4.573 1.00 0.00 H new ATOM 0 HA GLU A 27 4.774 -10.609 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.729 -12.141 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.510 -11.407 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.251 -13.029 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.285 -13.818 3.072 1.00 0.00 H new ATOM 428 N MET A 28 3.457 -8.914 3.863 1.00 0.00 N ATOM 429 CA MET A 28 3.099 -7.807 4.796 1.00 0.00 C ATOM 430 C MET A 28 1.750 -7.214 4.388 1.00 0.00 C ATOM 431 O MET A 28 1.345 -7.302 3.247 1.00 0.00 O ATOM 432 CB MET A 28 4.178 -6.724 4.720 1.00 0.00 C ATOM 433 CG MET A 28 5.559 -7.364 4.876 1.00 0.00 C ATOM 434 SD MET A 28 6.808 -6.064 5.045 1.00 0.00 S ATOM 435 CE MET A 28 8.063 -7.065 5.882 1.00 0.00 C ATOM 0 H MET A 28 3.153 -8.784 2.898 1.00 0.00 H new ATOM 0 HA MET A 28 3.031 -8.189 5.815 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.115 -6.200 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.019 -5.982 5.503 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.574 -8.014 5.751 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.783 -7.988 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.940 -6.452 6.087 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.659 -7.446 6.820 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.347 -7.901 5.243 1.00 0.00 H new ATOM 445 N ILE A 29 1.057 -6.603 5.316 1.00 0.00 N ATOM 446 CA ILE A 29 -0.270 -5.982 5.010 1.00 0.00 C ATOM 447 C ILE A 29 -0.231 -4.534 5.490 1.00 0.00 C ATOM 448 O ILE A 29 0.303 -4.238 6.540 1.00 0.00 O ATOM 449 CB ILE A 29 -1.384 -6.744 5.743 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.578 -8.114 5.083 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.694 -5.950 5.662 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.520 -8.968 5.936 1.00 0.00 C ATOM 0 H ILE A 29 1.358 -6.507 6.286 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.471 -6.023 3.939 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.106 -6.875 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.990 -7.991 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.616 -8.615 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.482 -6.494 6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.557 -4.974 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.975 -5.817 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.656 -9.941 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.090 -9.103 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.485 -8.469 6.023 1.00 0.00 H new ATOM 464 N ALA A 30 -0.773 -3.620 4.728 1.00 0.00 N ATOM 465 CA ALA A 30 -0.736 -2.191 5.156 1.00 0.00 C ATOM 466 C ALA A 30 -1.977 -1.451 4.670 1.00 0.00 C ATOM 467 O ALA A 30 -2.421 -1.618 3.550 1.00 0.00 O ATOM 468 CB ALA A 30 0.513 -1.534 4.565 1.00 0.00 C ATOM 0 H ALA A 30 -1.235 -3.799 3.837 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.711 -2.144 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.553 -0.488 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.402 -2.051 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.475 -1.594 3.477 1.00 0.00 H new ATOM 474 N GLU A 31 -2.529 -0.614 5.507 1.00 0.00 N ATOM 475 CA GLU A 31 -3.730 0.167 5.101 1.00 0.00 C ATOM 476 C GLU A 31 -3.262 1.379 4.292 1.00 0.00 C ATOM 477 O GLU A 31 -2.339 2.071 4.674 1.00 0.00 O ATOM 478 CB GLU A 31 -4.488 0.627 6.353 1.00 0.00 C ATOM 479 CG GLU A 31 -5.371 -0.511 6.872 1.00 0.00 C ATOM 480 CD GLU A 31 -4.505 -1.736 7.168 1.00 0.00 C ATOM 481 OE1 GLU A 31 -3.538 -1.592 7.897 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.824 -2.799 6.660 1.00 0.00 O ATOM 0 H GLU A 31 -2.198 -0.438 6.456 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.398 -0.446 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.782 0.933 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.101 1.497 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.895 -0.196 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.132 -0.761 6.133 1.00 0.00 H new ATOM 489 N ILE A 32 -3.880 1.622 3.165 1.00 0.00 N ATOM 490 CA ILE A 32 -3.475 2.769 2.288 1.00 0.00 C ATOM 491 C ILE A 32 -4.600 3.810 2.253 1.00 0.00 C ATOM 492 O ILE A 32 -5.770 3.484 2.315 1.00 0.00 O ATOM 493 CB ILE A 32 -3.188 2.206 0.870 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.700 1.836 0.746 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.537 3.220 -0.227 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.297 0.892 1.886 1.00 0.00 C ATOM 0 H ILE A 32 -4.659 1.069 2.808 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.580 3.259 2.672 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.814 1.323 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.515 1.358 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.089 2.738 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.322 2.788 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.596 3.471 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.942 4.123 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.242 0.635 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.465 1.385 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.897 -0.016 1.836 1.00 0.00 H new ATOM 508 N GLU A 33 -4.241 5.065 2.139 1.00 0.00 N ATOM 509 CA GLU A 33 -5.258 6.160 2.079 1.00 0.00 C ATOM 510 C GLU A 33 -4.947 7.049 0.873 1.00 0.00 C ATOM 511 O GLU A 33 -4.078 7.897 0.926 1.00 0.00 O ATOM 512 CB GLU A 33 -5.187 6.994 3.360 1.00 0.00 C ATOM 513 CG GLU A 33 -6.208 8.131 3.287 1.00 0.00 C ATOM 514 CD GLU A 33 -6.275 8.846 4.638 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.282 9.442 5.021 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.318 8.783 5.267 1.00 0.00 O ATOM 0 H GLU A 33 -3.273 5.381 2.084 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.258 5.736 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.389 6.365 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.183 7.400 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.927 8.836 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.189 7.736 3.024 1.00 0.00 H new ATOM 523 N ALA A 34 -5.640 6.852 -0.220 1.00 0.00 N ATOM 524 CA ALA A 34 -5.379 7.673 -1.444 1.00 0.00 C ATOM 525 C ALA A 34 -6.706 8.037 -2.111 1.00 0.00 C ATOM 526 O ALA A 34 -7.755 7.995 -1.498 1.00 0.00 O ATOM 527 CB ALA A 34 -4.528 6.861 -2.423 1.00 0.00 C ATOM 0 H ALA A 34 -6.378 6.155 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.852 8.585 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.335 7.455 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.581 6.598 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.061 5.951 -2.700 1.00 0.00 H new ATOM 533 N CYS A 35 -6.667 8.394 -3.368 1.00 0.00 N ATOM 534 CA CYS A 35 -7.921 8.765 -4.090 1.00 0.00 C ATOM 535 C CYS A 35 -7.803 8.332 -5.553 1.00 0.00 C ATOM 536 O CYS A 35 -8.775 8.293 -6.280 1.00 0.00 O ATOM 537 CB CYS A 35 -8.120 10.281 -4.021 1.00 0.00 C ATOM 538 SG CYS A 35 -8.544 10.755 -2.327 1.00 0.00 S ATOM 0 H CYS A 35 -5.816 8.445 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.773 8.268 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.211 10.793 -4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.912 10.586 -4.705 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.438 9.720 -1.547 1.00 0.00 H new ATOM 544 N ARG A 36 -6.616 8.003 -5.989 1.00 0.00 N ATOM 545 CA ARG A 36 -6.437 7.569 -7.403 1.00 0.00 C ATOM 546 C ARG A 36 -6.961 6.141 -7.559 1.00 0.00 C ATOM 547 O ARG A 36 -7.492 5.773 -8.587 1.00 0.00 O ATOM 548 CB ARG A 36 -4.950 7.611 -7.765 1.00 0.00 C ATOM 549 CG ARG A 36 -4.441 9.050 -7.666 1.00 0.00 C ATOM 550 CD ARG A 36 -3.004 9.121 -8.185 1.00 0.00 C ATOM 551 NE ARG A 36 -2.455 10.485 -7.942 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.052 10.823 -6.747 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.132 9.967 -5.766 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.571 12.017 -6.535 1.00 0.00 N ATOM 0 H ARG A 36 -5.765 8.016 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.989 8.236 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.383 6.966 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.800 7.230 -8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.082 9.714 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.482 9.391 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.388 8.375 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.979 8.892 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.394 11.154 -8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.509 9.034 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.817 10.231 -4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.510 12.686 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.256 12.282 -5.602 1.00 0.00 H new ATOM 568 N LEU A 37 -6.823 5.337 -6.539 1.00 0.00 N ATOM 569 CA LEU A 37 -7.318 3.935 -6.614 1.00 0.00 C ATOM 570 C LEU A 37 -6.888 3.303 -7.942 1.00 0.00 C ATOM 571 O LEU A 37 -7.450 2.324 -8.387 1.00 0.00 O ATOM 572 CB LEU A 37 -8.845 3.945 -6.504 1.00 0.00 C ATOM 573 CG LEU A 37 -9.278 5.005 -5.487 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.787 4.903 -5.255 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.544 4.780 -4.160 1.00 0.00 C ATOM 0 H LEU A 37 -6.386 5.594 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.897 3.348 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.289 4.157 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.204 2.963 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.033 5.994 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.096 5.657 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.312 5.067 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.030 3.912 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.855 5.536 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.786 3.790 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.469 4.854 -4.322 1.00 0.00 H new ATOM 587 N ARG A 38 -5.892 3.863 -8.577 1.00 0.00 N ATOM 588 CA ARG A 38 -5.416 3.307 -9.877 1.00 0.00 C ATOM 589 C ARG A 38 -4.321 2.266 -9.615 1.00 0.00 C ATOM 590 O ARG A 38 -3.547 1.928 -10.489 1.00 0.00 O ATOM 591 CB ARG A 38 -4.849 4.449 -10.731 1.00 0.00 C ATOM 592 CG ARG A 38 -4.819 4.038 -12.214 1.00 0.00 C ATOM 593 CD ARG A 38 -3.761 4.859 -12.956 1.00 0.00 C ATOM 594 NE ARG A 38 -4.017 4.789 -14.423 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.674 3.726 -15.096 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.106 2.722 -14.486 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.898 3.665 -16.380 1.00 0.00 N ATOM 0 H ARG A 38 -5.386 4.686 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.244 2.833 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.459 5.344 -10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.843 4.700 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.596 2.975 -12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.799 4.197 -12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.788 5.896 -12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.765 4.477 -12.731 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.461 5.573 -14.901 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.930 2.768 -13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.838 1.891 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.342 4.449 -16.858 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.629 2.833 -16.906 1.00 0.00 H new ATOM 611 N LEU A 39 -4.249 1.761 -8.417 1.00 0.00 N ATOM 612 CA LEU A 39 -3.206 0.747 -8.098 1.00 0.00 C ATOM 613 C LEU A 39 -3.448 -0.504 -8.945 1.00 0.00 C ATOM 614 O LEU A 39 -4.498 -0.676 -9.530 1.00 0.00 O ATOM 615 CB LEU A 39 -3.282 0.385 -6.609 1.00 0.00 C ATOM 616 CG LEU A 39 -2.609 1.479 -5.775 1.00 0.00 C ATOM 617 CD1 LEU A 39 -3.222 2.840 -6.116 1.00 0.00 C ATOM 618 CD2 LEU A 39 -2.821 1.183 -4.287 1.00 0.00 C ATOM 0 H LEU A 39 -4.867 2.006 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.218 1.152 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.323 0.272 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.792 -0.573 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.542 1.499 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.740 3.615 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.073 3.051 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.289 2.824 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.343 1.960 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.889 1.163 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.382 0.216 -4.042 1.00 0.00 H new ATOM 630 N ARG A 40 -2.482 -1.379 -9.016 1.00 0.00 N ATOM 631 CA ARG A 40 -2.657 -2.617 -9.827 1.00 0.00 C ATOM 632 C ARG A 40 -1.708 -3.700 -9.308 1.00 0.00 C ATOM 633 O ARG A 40 -0.793 -3.428 -8.556 1.00 0.00 O ATOM 634 CB ARG A 40 -2.337 -2.314 -11.294 1.00 0.00 C ATOM 635 CG ARG A 40 -2.640 -3.545 -12.154 1.00 0.00 C ATOM 636 CD ARG A 40 -2.705 -3.137 -13.627 1.00 0.00 C ATOM 637 NE ARG A 40 -3.806 -2.152 -13.821 1.00 0.00 N ATOM 638 CZ ARG A 40 -5.050 -2.548 -13.786 1.00 0.00 C ATOM 639 NH1 ARG A 40 -5.328 -3.807 -13.581 1.00 0.00 N ATOM 640 NH2 ARG A 40 -6.013 -1.685 -13.954 1.00 0.00 N ATOM 0 H ARG A 40 -1.580 -1.290 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.686 -2.966 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.928 -1.465 -11.637 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.288 -2.036 -11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.869 -4.301 -12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.586 -3.992 -11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.755 -2.702 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.873 -4.014 -14.251 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.588 -1.168 -13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.574 -4.481 -13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.299 -4.117 -13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.794 -0.701 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.985 -1.994 -13.927 1.00 0.00 H new ATOM 654 N GLU A 41 -1.918 -4.925 -9.703 1.00 0.00 N ATOM 655 CA GLU A 41 -1.027 -6.022 -9.231 1.00 0.00 C ATOM 656 C GLU A 41 0.310 -5.950 -9.972 1.00 0.00 C ATOM 657 O GLU A 41 0.373 -5.566 -11.123 1.00 0.00 O ATOM 658 CB GLU A 41 -1.692 -7.373 -9.507 1.00 0.00 C ATOM 659 CG GLU A 41 -2.927 -7.525 -8.618 1.00 0.00 C ATOM 660 CD GLU A 41 -4.008 -6.542 -9.071 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.989 -6.166 -10.231 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.836 -6.183 -8.250 1.00 0.00 O ATOM 0 H GLU A 41 -2.667 -5.214 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.854 -5.914 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.976 -7.443 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.989 -8.183 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.304 -8.546 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.664 -7.338 -7.577 1.00 0.00 H new ATOM 669 N GLY A 42 1.381 -6.318 -9.321 1.00 0.00 N ATOM 670 CA GLY A 42 2.714 -6.276 -9.987 1.00 0.00 C ATOM 671 C GLY A 42 3.301 -4.866 -9.884 1.00 0.00 C ATOM 672 O GLY A 42 4.267 -4.537 -10.544 1.00 0.00 O ATOM 0 H GLY A 42 1.390 -6.646 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.387 -6.995 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.617 -6.564 -11.034 1.00 0.00 H new ATOM 676 N ASP A 43 2.728 -4.028 -9.061 1.00 0.00 N ATOM 677 CA ASP A 43 3.261 -2.641 -8.924 1.00 0.00 C ATOM 678 C ASP A 43 4.480 -2.655 -7.997 1.00 0.00 C ATOM 679 O ASP A 43 4.484 -3.303 -6.969 1.00 0.00 O ATOM 680 CB ASP A 43 2.182 -1.731 -8.333 1.00 0.00 C ATOM 681 CG ASP A 43 0.994 -1.658 -9.295 1.00 0.00 C ATOM 682 OD1 ASP A 43 0.920 -2.497 -10.177 1.00 0.00 O ATOM 683 OD2 ASP A 43 0.180 -0.764 -9.131 1.00 0.00 O ATOM 0 H ASP A 43 1.918 -4.243 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 43 3.552 -2.266 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.857 -2.114 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.586 -0.734 -8.161 1.00 0.00 H new ATOM 688 N LYS A 44 5.516 -1.940 -8.356 1.00 0.00 N ATOM 689 CA LYS A 44 6.745 -1.902 -7.504 1.00 0.00 C ATOM 690 C LYS A 44 6.730 -0.636 -6.646 1.00 0.00 C ATOM 691 O LYS A 44 6.747 0.468 -7.152 1.00 0.00 O ATOM 692 CB LYS A 44 7.984 -1.891 -8.403 1.00 0.00 C ATOM 693 CG LYS A 44 7.887 -3.029 -9.421 1.00 0.00 C ATOM 694 CD LYS A 44 9.102 -2.990 -10.349 1.00 0.00 C ATOM 695 CE LYS A 44 8.883 -3.951 -11.519 1.00 0.00 C ATOM 696 NZ LYS A 44 10.014 -3.829 -12.481 1.00 0.00 N ATOM 0 H LYS A 44 5.564 -1.378 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 44 6.769 -2.780 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.064 -0.934 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.885 -2.004 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.840 -3.989 -8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.970 -2.934 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.256 -1.977 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.001 -3.268 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.812 -4.975 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.941 -3.724 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.865 -4.482 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.062 -2.854 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.905 -4.066 -12.001 1.00 0.00 H new ATOM 710 N LEU A 45 6.699 -0.788 -5.347 1.00 0.00 N ATOM 711 CA LEU A 45 6.684 0.405 -4.445 1.00 0.00 C ATOM 712 C LEU A 45 8.112 0.723 -3.994 1.00 0.00 C ATOM 713 O LEU A 45 8.712 -0.018 -3.242 1.00 0.00 O ATOM 714 CB LEU A 45 5.819 0.100 -3.218 1.00 0.00 C ATOM 715 CG LEU A 45 4.535 -0.607 -3.655 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.639 -0.831 -2.435 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.795 0.262 -4.678 1.00 0.00 C ATOM 0 H LEU A 45 6.683 -1.689 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 45 6.273 1.262 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.371 -0.528 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.576 1.024 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 45 4.784 -1.567 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.723 -1.335 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.164 -1.448 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.390 0.130 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.880 -0.242 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.545 1.222 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.433 0.425 -5.547 1.00 0.00 H new ATOM 729 N THR A 46 8.661 1.822 -4.443 1.00 0.00 N ATOM 730 CA THR A 46 10.051 2.188 -4.035 1.00 0.00 C ATOM 731 C THR A 46 9.991 3.056 -2.768 1.00 0.00 C ATOM 732 O THR A 46 9.031 3.769 -2.555 1.00 0.00 O ATOM 733 CB THR A 46 10.717 2.982 -5.165 1.00 0.00 C ATOM 734 OG1 THR A 46 11.735 3.811 -4.622 1.00 0.00 O ATOM 735 CG2 THR A 46 9.672 3.849 -5.868 1.00 0.00 C ATOM 0 H THR A 46 8.207 2.482 -5.075 1.00 0.00 H new ATOM 0 HA THR A 46 10.628 1.285 -3.835 1.00 0.00 H new ATOM 0 HB THR A 46 11.155 2.291 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.163 4.318 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.147 4.413 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.891 3.212 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.231 4.541 -5.151 1.00 0.00 H new ATOM 743 N PRO A 47 11.003 3.004 -1.931 1.00 0.00 N ATOM 744 CA PRO A 47 11.039 3.812 -0.672 1.00 0.00 C ATOM 745 C PRO A 47 11.302 5.298 -0.950 1.00 0.00 C ATOM 746 O PRO A 47 12.261 5.655 -1.604 1.00 0.00 O ATOM 747 CB PRO A 47 12.199 3.188 0.115 1.00 0.00 C ATOM 748 CG PRO A 47 13.120 2.654 -0.933 1.00 0.00 C ATOM 749 CD PRO A 47 12.221 2.183 -2.080 1.00 0.00 C ATOM 0 HA PRO A 47 10.090 3.789 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.697 3.928 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.849 2.395 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.815 3.423 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.720 1.831 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.694 2.340 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.998 1.119 -2.003 1.00 0.00 H new ATOM 757 N LEU A 48 10.460 6.164 -0.454 1.00 0.00 N ATOM 758 CA LEU A 48 10.666 7.622 -0.691 1.00 0.00 C ATOM 759 C LEU A 48 11.706 8.152 0.303 1.00 0.00 C ATOM 760 O LEU A 48 12.790 8.552 -0.073 1.00 0.00 O ATOM 761 CB LEU A 48 9.332 8.365 -0.503 1.00 0.00 C ATOM 762 CG LEU A 48 9.341 9.677 -1.298 1.00 0.00 C ATOM 763 CD1 LEU A 48 8.023 10.422 -1.066 1.00 0.00 C ATOM 764 CD2 LEU A 48 10.513 10.555 -0.838 1.00 0.00 C ATOM 0 H LEU A 48 9.640 5.926 0.104 1.00 0.00 H new ATOM 0 HA LEU A 48 11.024 7.785 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.507 7.735 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.169 8.573 0.554 1.00 0.00 H new ATOM 0 HG LEU A 48 9.454 9.455 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.028 11.355 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.191 9.801 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.911 10.641 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.515 11.486 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.406 10.778 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.451 10.026 -1.005 1.00 0.00 H new ATOM 776 N ALA A 49 11.385 8.158 1.569 1.00 0.00 N ATOM 777 CA ALA A 49 12.358 8.664 2.578 1.00 0.00 C ATOM 778 C ALA A 49 11.822 8.409 3.989 1.00 0.00 C ATOM 779 O ALA A 49 12.210 7.467 4.651 1.00 0.00 O ATOM 780 CB ALA A 49 12.566 10.166 2.377 1.00 0.00 C ATOM 0 H ALA A 49 10.494 7.835 1.947 1.00 0.00 H new ATOM 0 HA ALA A 49 13.307 8.143 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.278 10.537 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.954 10.349 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.615 10.684 2.498 1.00 0.00 H new ATOM 786 N ASP A 50 10.937 9.247 4.459 1.00 0.00 N ATOM 787 CA ASP A 50 10.382 9.056 5.830 1.00 0.00 C ATOM 788 C ASP A 50 9.537 7.782 5.877 1.00 0.00 C ATOM 789 O ASP A 50 9.660 6.979 6.780 1.00 0.00 O ATOM 790 CB ASP A 50 9.508 10.258 6.195 1.00 0.00 C ATOM 791 CG ASP A 50 10.389 11.499 6.358 1.00 0.00 C ATOM 792 OD1 ASP A 50 11.434 11.383 6.976 1.00 0.00 O ATOM 793 OD2 ASP A 50 10.003 12.545 5.861 1.00 0.00 O ATOM 0 H ASP A 50 10.575 10.055 3.953 1.00 0.00 H new ATOM 0 HA ASP A 50 11.204 8.968 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.762 10.428 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.966 10.060 7.120 1.00 0.00 H new ATOM 798 N ALA A 51 8.680 7.587 4.911 1.00 0.00 N ATOM 799 CA ALA A 51 7.828 6.362 4.907 1.00 0.00 C ATOM 800 C ALA A 51 6.983 6.326 3.632 1.00 0.00 C ATOM 801 O ALA A 51 6.602 5.272 3.163 1.00 0.00 O ATOM 802 CB ALA A 51 6.902 6.375 6.126 1.00 0.00 C ATOM 0 H ALA A 51 8.533 8.221 4.126 1.00 0.00 H new ATOM 0 HA ALA A 51 8.469 5.481 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.281 5.479 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.500 6.396 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.265 7.259 6.089 1.00 0.00 H new ATOM 808 N ARG A 52 6.680 7.464 3.069 1.00 0.00 N ATOM 809 CA ARG A 52 5.854 7.484 1.828 1.00 0.00 C ATOM 810 C ARG A 52 6.399 6.461 0.829 1.00 0.00 C ATOM 811 O ARG A 52 7.491 5.951 0.980 1.00 0.00 O ATOM 812 CB ARG A 52 5.907 8.879 1.203 1.00 0.00 C ATOM 813 CG ARG A 52 5.094 9.856 2.055 1.00 0.00 C ATOM 814 CD ARG A 52 5.102 11.236 1.395 1.00 0.00 C ATOM 815 NE ARG A 52 4.502 12.235 2.323 1.00 0.00 N ATOM 816 CZ ARG A 52 4.527 13.505 2.021 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.080 13.898 0.905 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.001 14.380 2.833 1.00 0.00 N ATOM 0 H ARG A 52 6.968 8.380 3.414 1.00 0.00 H new ATOM 0 HA ARG A 52 4.823 7.233 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.941 9.217 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.510 8.849 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.070 9.498 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.516 9.918 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.123 11.525 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.540 11.208 0.462 1.00 0.00 H new ATOM 0 HE ARG A 52 4.071 11.927 3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.491 13.213 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.100 14.890 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.570 14.072 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.021 15.372 2.596 1.00 0.00 H new ATOM 832 N TYR A 53 5.644 6.158 -0.193 1.00 0.00 N ATOM 833 CA TYR A 53 6.106 5.169 -1.212 1.00 0.00 C ATOM 834 C TYR A 53 5.591 5.593 -2.590 1.00 0.00 C ATOM 835 O TYR A 53 4.485 6.085 -2.724 1.00 0.00 O ATOM 836 CB TYR A 53 5.553 3.780 -0.862 1.00 0.00 C ATOM 837 CG TYR A 53 6.379 3.159 0.242 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.544 2.450 -0.069 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.975 3.291 1.575 1.00 0.00 C ATOM 840 CE1 TYR A 53 8.307 1.873 0.953 1.00 0.00 C ATOM 841 CE2 TYR A 53 6.737 2.714 2.599 1.00 0.00 C ATOM 842 CZ TYR A 53 7.903 2.005 2.287 1.00 0.00 C ATOM 843 OH TYR A 53 8.654 1.436 3.296 1.00 0.00 O ATOM 0 H TYR A 53 4.721 6.555 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 53 7.195 5.132 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.513 3.862 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.569 3.140 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.855 2.348 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.075 3.838 1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.207 1.326 0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.425 2.816 3.628 1.00 0.00 H new ATOM 0 HH TYR A 53 8.234 1.623 4.162 1.00 0.00 H new ATOM 853 N CYS A 54 6.386 5.402 -3.616 1.00 0.00 N ATOM 854 CA CYS A 54 5.965 5.785 -5.001 1.00 0.00 C ATOM 855 C CYS A 54 5.789 4.515 -5.841 1.00 0.00 C ATOM 856 O CYS A 54 6.695 3.716 -5.966 1.00 0.00 O ATOM 857 CB CYS A 54 7.049 6.679 -5.628 1.00 0.00 C ATOM 858 SG CYS A 54 7.822 7.682 -4.333 1.00 0.00 S ATOM 0 H CYS A 54 7.318 4.993 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 54 5.022 6.330 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.800 6.065 -6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.609 7.324 -6.389 1.00 0.00 H new ATOM 0 HG CYS A 54 8.740 8.437 -4.859 1.00 0.00 H new ATOM 864 N LEU A 55 4.629 4.315 -6.413 1.00 0.00 N ATOM 865 CA LEU A 55 4.405 3.089 -7.238 1.00 0.00 C ATOM 866 C LEU A 55 4.772 3.373 -8.697 1.00 0.00 C ATOM 867 O LEU A 55 4.618 4.476 -9.181 1.00 0.00 O ATOM 868 CB LEU A 55 2.929 2.669 -7.144 1.00 0.00 C ATOM 869 CG LEU A 55 1.999 3.842 -7.562 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.557 3.691 -9.024 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.748 3.863 -6.672 1.00 0.00 C ATOM 0 H LEU A 55 3.830 4.945 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 55 5.034 2.281 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.749 1.808 -7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.697 2.360 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 55 2.557 4.771 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.907 4.523 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.434 3.690 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.016 2.753 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.102 4.688 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.209 2.922 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.044 3.994 -5.631 1.00 0.00 H new ATOM 883 N ASN A 56 5.260 2.381 -9.395 1.00 0.00 N ATOM 884 CA ASN A 56 5.643 2.571 -10.826 1.00 0.00 C ATOM 885 C ASN A 56 6.794 3.577 -10.932 1.00 0.00 C ATOM 886 O ASN A 56 7.030 4.155 -11.975 1.00 0.00 O ATOM 887 CB ASN A 56 4.434 3.078 -11.626 1.00 0.00 C ATOM 888 CG ASN A 56 4.656 2.818 -13.119 1.00 0.00 C ATOM 889 OD1 ASN A 56 5.032 1.631 -13.513 1.00 0.00 O flip ATOM 890 ND2 ASN A 56 4.486 3.702 -13.934 1.00 0.00 N flip ATOM 0 H ASN A 56 5.411 1.440 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 56 5.968 1.615 -11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.527 2.575 -11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.291 4.144 -11.450 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.192 4.629 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.637 3.517 -14.926 1.00 0.00 H new ATOM 897 N ASN A 57 7.520 3.782 -9.867 1.00 0.00 N ATOM 898 CA ASN A 57 8.663 4.740 -9.912 1.00 0.00 C ATOM 899 C ASN A 57 8.198 6.090 -10.464 1.00 0.00 C ATOM 900 O ASN A 57 8.879 6.711 -11.256 1.00 0.00 O ATOM 901 CB ASN A 57 9.764 4.175 -10.813 1.00 0.00 C ATOM 902 CG ASN A 57 10.224 2.821 -10.271 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.590 1.812 -10.507 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.308 2.756 -9.548 1.00 0.00 N ATOM 0 H ASN A 57 7.371 3.327 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 57 9.048 4.882 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.393 4.063 -11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.605 4.867 -10.854 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.623 1.858 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.840 3.603 -9.350 1.00 0.00 H new ATOM 911 N ASN A 58 7.044 6.552 -10.048 1.00 0.00 N ATOM 912 CA ASN A 58 6.521 7.867 -10.536 1.00 0.00 C ATOM 913 C ASN A 58 6.054 8.695 -9.326 1.00 0.00 C ATOM 914 O ASN A 58 4.924 8.572 -8.895 1.00 0.00 O ATOM 915 CB ASN A 58 5.333 7.618 -11.468 1.00 0.00 C ATOM 916 CG ASN A 58 5.709 6.553 -12.498 1.00 0.00 C ATOM 917 OD1 ASN A 58 4.857 5.844 -12.995 1.00 0.00 O ATOM 918 ND2 ASN A 58 6.958 6.412 -12.846 1.00 0.00 N ATOM 0 H ASN A 58 6.437 6.070 -9.385 1.00 0.00 H new ATOM 0 HA ASN A 58 7.302 8.405 -11.074 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.467 7.292 -10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.052 8.543 -11.971 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.219 5.707 -13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.674 7.007 -12.429 1.00 0.00 H new ATOM 925 N PRO A 59 6.913 9.523 -8.768 1.00 0.00 N ATOM 926 CA PRO A 59 6.565 10.363 -7.579 1.00 0.00 C ATOM 927 C PRO A 59 5.200 11.052 -7.714 1.00 0.00 C ATOM 928 O PRO A 59 4.709 11.657 -6.782 1.00 0.00 O ATOM 929 CB PRO A 59 7.698 11.392 -7.527 1.00 0.00 C ATOM 930 CG PRO A 59 8.874 10.681 -8.112 1.00 0.00 C ATOM 931 CD PRO A 59 8.308 9.757 -9.197 1.00 0.00 C ATOM 0 HA PRO A 59 6.476 9.765 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.449 12.286 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.896 11.713 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.588 11.388 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.404 10.110 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.351 10.223 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.869 8.824 -9.261 1.00 0.00 H new ATOM 939 N THR A 60 4.581 10.957 -8.856 1.00 0.00 N ATOM 940 CA THR A 60 3.247 11.598 -9.033 1.00 0.00 C ATOM 941 C THR A 60 2.183 10.706 -8.389 1.00 0.00 C ATOM 942 O THR A 60 1.279 11.177 -7.727 1.00 0.00 O ATOM 943 CB THR A 60 2.949 11.758 -10.528 1.00 0.00 C ATOM 944 OG1 THR A 60 1.544 11.734 -10.734 1.00 0.00 O ATOM 945 CG2 THR A 60 3.599 10.613 -11.309 1.00 0.00 C ATOM 0 H THR A 60 4.939 10.464 -9.674 1.00 0.00 H new ATOM 0 HA THR A 60 3.241 12.581 -8.562 1.00 0.00 H new ATOM 0 HB THR A 60 3.354 12.708 -10.878 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.352 11.838 -11.689 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.385 10.730 -12.371 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.677 10.631 -11.152 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.198 9.661 -10.961 1.00 0.00 H new ATOM 953 N GLN A 61 2.292 9.416 -8.575 1.00 0.00 N ATOM 954 CA GLN A 61 1.299 8.474 -7.974 1.00 0.00 C ATOM 955 C GLN A 61 1.821 7.986 -6.621 1.00 0.00 C ATOM 956 O GLN A 61 2.062 6.813 -6.432 1.00 0.00 O ATOM 957 CB GLN A 61 1.098 7.269 -8.903 1.00 0.00 C ATOM 958 CG GLN A 61 1.008 7.739 -10.360 1.00 0.00 C ATOM 959 CD GLN A 61 0.293 6.680 -11.205 1.00 0.00 C ATOM 960 OE1 GLN A 61 0.797 6.263 -12.230 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.866 6.225 -10.816 1.00 0.00 N ATOM 0 H GLN A 61 3.030 8.971 -9.121 1.00 0.00 H new ATOM 0 HA GLN A 61 0.348 8.989 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.926 6.569 -8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.189 6.735 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.469 8.685 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.008 7.919 -10.756 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.289 6.575 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.349 5.519 -11.372 1.00 0.00 H new ATOM 970 N THR A 62 2.008 8.872 -5.679 1.00 0.00 N ATOM 971 CA THR A 62 2.529 8.446 -4.344 1.00 0.00 C ATOM 972 C THR A 62 1.361 8.266 -3.376 1.00 0.00 C ATOM 973 O THR A 62 0.236 8.616 -3.672 1.00 0.00 O ATOM 974 CB THR A 62 3.473 9.522 -3.801 1.00 0.00 C ATOM 975 OG1 THR A 62 2.812 10.780 -3.817 1.00 0.00 O ATOM 976 CG2 THR A 62 4.726 9.591 -4.674 1.00 0.00 C ATOM 0 H THR A 62 1.823 9.871 -5.774 1.00 0.00 H new ATOM 0 HA THR A 62 3.067 7.504 -4.447 1.00 0.00 H new ATOM 0 HB THR A 62 3.759 9.274 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.414 11.470 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.398 10.357 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.232 8.625 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.443 9.840 -5.697 1.00 0.00 H new ATOM 984 N LEU A 63 1.618 7.709 -2.223 1.00 0.00 N ATOM 985 CA LEU A 63 0.521 7.491 -1.237 1.00 0.00 C ATOM 986 C LEU A 63 1.095 7.482 0.182 1.00 0.00 C ATOM 987 O LEU A 63 2.295 7.496 0.374 1.00 0.00 O ATOM 988 CB LEU A 63 -0.178 6.155 -1.541 1.00 0.00 C ATOM 989 CG LEU A 63 0.704 4.965 -1.139 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.038 3.672 -1.611 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.086 5.091 -1.791 1.00 0.00 C ATOM 0 H LEU A 63 2.541 7.396 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.207 8.299 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.126 6.107 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.410 6.096 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 63 0.822 4.952 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.657 2.820 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.943 3.577 -1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.076 3.696 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.704 4.242 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.977 5.105 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.561 6.015 -1.462 1.00 0.00 H new ATOM 1003 N LYS A 64 0.240 7.462 1.178 1.00 0.00 N ATOM 1004 CA LYS A 64 0.713 7.458 2.601 1.00 0.00 C ATOM 1005 C LYS A 64 0.230 6.188 3.301 1.00 0.00 C ATOM 1006 O LYS A 64 -0.903 5.777 3.153 1.00 0.00 O ATOM 1007 CB LYS A 64 0.141 8.680 3.325 1.00 0.00 C ATOM 1008 CG LYS A 64 0.721 9.956 2.712 1.00 0.00 C ATOM 1009 CD LYS A 64 0.440 11.141 3.637 1.00 0.00 C ATOM 1010 CE LYS A 64 0.973 12.425 3.000 1.00 0.00 C ATOM 1011 NZ LYS A 64 0.250 12.681 1.721 1.00 0.00 N ATOM 0 H LYS A 64 -0.774 7.448 1.065 1.00 0.00 H new ATOM 0 HA LYS A 64 1.802 7.491 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.946 8.687 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.382 8.632 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.795 9.845 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.280 10.134 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.631 11.229 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.913 10.980 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.838 13.265 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.043 12.334 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.320 13.690 1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.676 12.112 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.751 12.420 1.830 1.00 0.00 H new ATOM 1025 N ILE A 65 1.084 5.566 4.072 1.00 0.00 N ATOM 1026 CA ILE A 65 0.678 4.324 4.790 1.00 0.00 C ATOM 1027 C ILE A 65 0.010 4.698 6.111 1.00 0.00 C ATOM 1028 O ILE A 65 0.450 5.588 6.812 1.00 0.00 O ATOM 1029 CB ILE A 65 1.913 3.466 5.080 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.919 4.274 5.906 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.559 3.039 3.764 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.219 3.480 6.058 1.00 0.00 C ATOM 0 H ILE A 65 2.045 5.866 4.235 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.018 3.762 4.168 1.00 0.00 H new ATOM 0 HB ILE A 65 1.614 2.581 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.120 5.229 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.501 4.498 6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.438 2.428 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.845 2.460 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.856 3.924 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.932 4.058 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.012 2.537 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.640 3.279 5.073 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.050 4.021 6.462 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.747 4.325 7.746 1.00 0.00 C ATOM 1046 C ARG A 66 -1.257 3.345 8.814 1.00 0.00 C ATOM 1047 O ARG A 66 -1.214 3.662 9.985 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.259 4.171 7.554 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.965 4.284 8.908 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.466 4.476 8.687 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.141 4.665 10.002 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.431 4.503 10.102 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.132 4.177 9.051 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.023 4.667 11.255 1.00 0.00 N ATOM 0 H ARG A 66 -1.465 3.268 5.913 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.531 5.347 8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.629 4.939 6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.481 3.207 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.786 3.386 9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.560 5.124 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.643 5.341 8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.883 3.610 8.173 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.594 4.921 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.671 4.049 8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.141 4.050 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.476 4.922 12.077 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.032 4.540 11.333 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.882 2.156 8.416 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.391 1.158 9.409 1.00 0.00 C ATOM 1070 C ASN A 67 0.130 -0.092 8.689 1.00 0.00 C ATOM 1071 O ASN A 67 -0.637 -0.934 8.259 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.539 0.759 10.342 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.069 -0.351 11.286 1.00 0.00 C ATOM 1074 OD1 ASN A 67 0.058 -0.343 11.737 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.893 -1.311 11.605 1.00 0.00 N ATOM 0 H ASN A 67 -0.895 1.835 7.448 1.00 0.00 H new ATOM 0 HA ASN A 67 0.419 1.603 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.871 1.623 10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.394 0.417 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.590 -2.055 12.234 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.840 -1.317 11.226 1.00 0.00 H new ATOM 1082 N ALA A 68 1.426 -0.227 8.562 1.00 0.00 N ATOM 1083 CA ALA A 68 1.987 -1.434 7.886 1.00 0.00 C ATOM 1084 C ALA A 68 1.944 -2.621 8.852 1.00 0.00 C ATOM 1085 O ALA A 68 1.941 -2.451 10.056 1.00 0.00 O ATOM 1086 CB ALA A 68 3.437 -1.171 7.478 1.00 0.00 C ATOM 0 H ALA A 68 2.117 0.445 8.896 1.00 0.00 H new ATOM 0 HA ALA A 68 1.395 -1.657 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.842 -2.055 6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.474 -0.324 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.030 -0.947 8.365 1.00 0.00 H new ATOM 1092 N THR A 69 1.910 -3.823 8.339 1.00 0.00 N ATOM 1093 CA THR A 69 1.870 -5.023 9.232 1.00 0.00 C ATOM 1094 C THR A 69 2.627 -6.176 8.570 1.00 0.00 C ATOM 1095 O THR A 69 2.623 -6.323 7.365 1.00 0.00 O ATOM 1096 CB THR A 69 0.415 -5.437 9.466 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.317 -4.326 9.966 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.366 -6.582 10.479 1.00 0.00 C ATOM 0 H THR A 69 1.908 -4.028 7.340 1.00 0.00 H new ATOM 0 HA THR A 69 2.337 -4.781 10.187 1.00 0.00 H new ATOM 0 HB THR A 69 -0.026 -5.768 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.205 -4.306 9.552 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.670 -6.877 10.645 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.928 -7.433 10.094 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.806 -6.254 11.421 1.00 0.00 H new ATOM 1106 N HIS A 70 3.280 -6.996 9.349 1.00 0.00 N ATOM 1107 CA HIS A 70 4.043 -8.138 8.764 1.00 0.00 C ATOM 1108 C HIS A 70 3.093 -9.305 8.483 1.00 0.00 C ATOM 1109 O HIS A 70 3.343 -10.427 8.876 1.00 0.00 O ATOM 1110 CB HIS A 70 5.120 -8.590 9.753 1.00 0.00 C ATOM 1111 CG HIS A 70 5.996 -7.420 10.107 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.055 -6.275 9.325 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.854 -7.201 11.158 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.922 -5.428 9.910 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.434 -5.945 11.028 1.00 0.00 N ATOM 0 H HIS A 70 3.318 -6.925 10.366 1.00 0.00 H new ATOM 0 HA HIS A 70 4.510 -7.819 7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.656 -8.996 10.652 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.720 -9.388 9.315 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.047 -7.897 11.961 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.172 -4.451 9.523 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.110 -5.510 11.656 1.00 0.00 H new ATOM 1124 N TYR A 71 2.008 -9.053 7.802 1.00 0.00 N ATOM 1125 CA TYR A 71 1.052 -10.154 7.494 1.00 0.00 C ATOM 1126 C TYR A 71 0.734 -10.923 8.779 1.00 0.00 C ATOM 1127 O TYR A 71 0.841 -12.132 8.834 1.00 0.00 O ATOM 1128 CB TYR A 71 1.681 -11.100 6.467 1.00 0.00 C ATOM 1129 CG TYR A 71 0.714 -12.217 6.142 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.417 -11.954 5.359 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.948 -13.514 6.619 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.313 -12.986 5.054 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.052 -14.544 6.314 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.079 -14.280 5.532 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.963 -15.297 5.232 1.00 0.00 O ATOM 0 H TYR A 71 1.743 -8.134 7.446 1.00 0.00 H new ATOM 0 HA TYR A 71 0.131 -9.738 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.935 -10.551 5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.610 -11.513 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.598 -10.955 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.820 -13.718 7.222 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.185 -12.783 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.233 -15.543 6.682 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.812 -15.140 5.696 1.00 0.00 H new ATOM 1145 N SER A 72 0.342 -10.232 9.814 1.00 0.00 N ATOM 1146 CA SER A 72 0.018 -10.924 11.092 1.00 0.00 C ATOM 1147 C SER A 72 -1.338 -11.618 10.962 1.00 0.00 C ATOM 1148 O SER A 72 -2.194 -11.194 10.212 1.00 0.00 O ATOM 1149 CB SER A 72 -0.039 -9.901 12.226 1.00 0.00 C ATOM 1150 OG SER A 72 -0.004 -10.582 13.474 1.00 0.00 O ATOM 0 H SER A 72 0.232 -9.218 9.829 1.00 0.00 H new ATOM 0 HA SER A 72 0.787 -11.664 11.311 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.801 -9.211 12.151 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.949 -9.305 12.149 1.00 0.00 H new ATOM 0 HG SER A 72 -0.039 -9.929 14.204 1.00 0.00 H new ATOM 1156 N SER A 73 -1.542 -12.683 11.688 1.00 0.00 N ATOM 1157 CA SER A 73 -2.844 -13.400 11.604 1.00 0.00 C ATOM 1158 C SER A 73 -3.955 -12.502 12.149 1.00 0.00 C ATOM 1159 O SER A 73 -5.125 -12.753 11.947 1.00 0.00 O ATOM 1160 CB SER A 73 -2.773 -14.685 12.430 1.00 0.00 C ATOM 1161 OG SER A 73 -3.955 -15.445 12.217 1.00 0.00 O ATOM 0 H SER A 73 -0.864 -13.086 12.334 1.00 0.00 H new ATOM 0 HA SER A 73 -3.056 -13.649 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.896 -15.267 12.145 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.666 -14.446 13.488 1.00 0.00 H new ATOM 0 HG SER A 73 -4.704 -14.840 12.032 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.598 -11.456 12.843 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.633 -10.543 13.402 1.00 0.00 C ATOM 1169 C GLU A 74 -5.158 -9.623 12.297 1.00 0.00 C ATOM 1170 O GLU A 74 -6.349 -9.456 12.129 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.018 -9.699 14.519 1.00 0.00 C ATOM 1172 CG GLU A 74 -3.725 -10.586 15.730 1.00 0.00 C ATOM 1173 CD GLU A 74 -3.131 -9.737 16.854 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.447 -8.775 16.546 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -3.370 -10.063 18.006 1.00 0.00 O ATOM 0 H GLU A 74 -2.633 -11.195 13.047 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.457 -11.133 13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.099 -9.229 14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.700 -8.896 14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.641 -11.069 16.070 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.030 -11.379 15.453 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.276 -9.023 11.544 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.725 -8.111 10.453 1.00 0.00 C ATOM 1184 C ARG A 75 -5.167 -8.938 9.243 1.00 0.00 C ATOM 1185 O ARG A 75 -6.082 -8.574 8.531 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.566 -7.191 10.050 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.405 -6.076 11.089 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.125 -6.685 12.466 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.532 -5.647 13.355 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.574 -5.795 14.651 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.140 -6.851 15.170 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.052 -4.887 15.429 1.00 0.00 N ATOM 0 H ARG A 75 -3.265 -9.125 11.637 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.563 -7.509 10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.643 -7.766 9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.756 -6.760 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.588 -5.414 10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.309 -5.469 11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.048 -7.068 12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.443 -7.530 12.370 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.093 -4.820 12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.550 -7.561 14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.173 -6.966 16.183 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.611 -4.061 15.024 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.085 -5.003 16.442 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.522 -10.046 9.001 1.00 0.00 N ATOM 1207 CA TRP A 76 -4.904 -10.891 7.835 1.00 0.00 C ATOM 1208 C TRP A 76 -6.298 -11.482 8.061 1.00 0.00 C ATOM 1209 O TRP A 76 -7.139 -11.463 7.185 1.00 0.00 O ATOM 1210 CB TRP A 76 -3.885 -12.022 7.670 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.317 -12.929 6.563 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -4.642 -12.527 5.312 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -4.477 -14.377 6.582 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -4.990 -13.636 4.563 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -4.905 -14.800 5.301 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -4.294 -15.355 7.577 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.143 -16.146 5.017 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -4.533 -16.709 7.294 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -4.956 -17.104 6.017 1.00 0.00 C ATOM 0 H TRP A 76 -3.747 -10.403 9.560 1.00 0.00 H new ATOM 0 HA TRP A 76 -4.916 -10.280 6.933 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -2.900 -11.609 7.452 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -3.796 -12.584 8.600 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.631 -11.507 4.957 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.275 -13.599 3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -3.968 -15.062 8.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.469 -16.445 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.390 -17.451 8.065 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.137 -18.148 5.806 1.00 0.00 H new