USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 25 MET CE :methyl -170:sc= -1.03 (180deg=-1.2) USER MOD Set 1.2: A 40 CYS SG : rot 171:sc= -4.43 USER MOD Set 1.3: A 53 SER OG : rot 7:sc= 0.0846 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -10:sc= -0.524 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.434 (180deg=-0.146) USER MOD Single : A 10 ASN : amide:sc= -2.14 K(o=-2.1,f=-0.48) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.465 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.99) USER MOD Single : A 26 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.2!) USER MOD Single : A 27 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 30 SER OG : rot -24:sc= 0.0743 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.953 K(o=-0.95,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 62 THR OG1 : rot 45:sc= 0.0852 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 71 HIS : no HD1:sc= -6.12! K(o=-6.1!,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.688 14.900 0.670 1.00 0.00 N ATOM 2 CA ASP A 1 -3.696 13.792 -0.320 1.00 0.00 C ATOM 3 C ASP A 1 -4.376 12.550 0.247 1.00 0.00 C ATOM 4 O ASP A 1 -4.334 12.303 1.453 1.00 0.00 O ATOM 5 CB ASP A 1 -2.249 13.474 -0.707 1.00 0.00 C ATOM 6 CG ASP A 1 -2.052 13.420 -2.209 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.684 14.228 -2.920 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.265 12.568 -2.674 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.219 15.731 0.257 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.666 15.145 0.925 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.173 14.600 1.522 1.00 0.00 H new ATOM 0 HA ASP A 1 -4.261 14.101 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -1.588 14.230 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.961 12.518 -0.271 1.00 0.00 H new ATOM 15 N VAL A 2 -5.005 11.773 -0.629 1.00 0.00 N ATOM 16 CA VAL A 2 -5.694 10.558 -0.215 1.00 0.00 C ATOM 17 C VAL A 2 -4.718 9.545 0.377 1.00 0.00 C ATOM 18 O VAL A 2 -3.852 9.021 -0.324 1.00 0.00 O ATOM 19 CB VAL A 2 -6.439 9.904 -1.394 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.307 8.754 -0.907 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.276 10.935 -2.135 1.00 0.00 C ATOM 0 H VAL A 2 -5.051 11.964 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.417 10.851 0.546 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.700 9.503 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.825 8.305 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.680 8.003 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.039 9.128 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.795 10.454 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.007 11.369 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.627 11.722 -2.520 1.00 0.00 H new ATOM 31 N MET A 3 -4.867 9.273 1.669 1.00 0.00 N ATOM 32 CA MET A 3 -4.002 8.319 2.353 1.00 0.00 C ATOM 33 C MET A 3 -4.523 6.897 2.180 1.00 0.00 C ATOM 34 O MET A 3 -5.732 6.667 2.173 1.00 0.00 O ATOM 35 CB MET A 3 -3.904 8.664 3.840 1.00 0.00 C ATOM 36 CG MET A 3 -3.541 10.116 4.106 1.00 0.00 C ATOM 37 SD MET A 3 -2.580 10.327 5.617 1.00 0.00 S ATOM 38 CE MET A 3 -1.140 11.185 4.986 1.00 0.00 C ATOM 0 H MET A 3 -5.578 9.699 2.263 1.00 0.00 H new ATOM 0 HA MET A 3 -3.009 8.380 1.909 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.858 8.443 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.157 8.021 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.972 10.505 3.261 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.454 10.708 4.175 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.449 11.387 5.805 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.646 10.565 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.448 12.126 4.531 1.00 0.00 H new ATOM 48 N TRP A 4 -3.606 5.946 2.033 1.00 0.00 N ATOM 49 CA TRP A 4 -3.984 4.548 1.851 1.00 0.00 C ATOM 50 C TRP A 4 -3.225 3.644 2.818 1.00 0.00 C ATOM 51 O TRP A 4 -2.547 4.121 3.726 1.00 0.00 O ATOM 52 CB TRP A 4 -3.720 4.114 0.407 1.00 0.00 C ATOM 53 CG TRP A 4 -4.631 4.769 -0.583 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.614 6.077 -0.971 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.697 4.147 -1.310 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.604 6.307 -1.897 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.281 5.138 -2.122 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.213 2.849 -1.356 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.355 4.871 -2.967 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.278 2.584 -2.195 1.00 0.00 C ATOM 61 CH2 TRP A 4 -7.839 3.591 -2.991 1.00 0.00 C ATOM 0 H TRP A 4 -2.600 6.116 2.036 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.049 4.454 2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.687 4.346 0.148 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -3.832 3.032 0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.924 6.823 -0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.802 7.202 -2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.786 2.066 -0.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -7.790 5.646 -3.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.685 1.584 -2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -8.671 3.352 -3.637 1.00 0.00 H new ATOM 72 N GLU A 5 -3.349 2.335 2.617 1.00 0.00 N ATOM 73 CA GLU A 5 -2.680 1.357 3.467 1.00 0.00 C ATOM 74 C GLU A 5 -2.254 0.141 2.652 1.00 0.00 C ATOM 75 O GLU A 5 -2.641 -0.007 1.495 1.00 0.00 O ATOM 76 CB GLU A 5 -3.606 0.927 4.608 1.00 0.00 C ATOM 77 CG GLU A 5 -3.082 1.291 5.986 1.00 0.00 C ATOM 78 CD GLU A 5 -4.179 1.347 7.031 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.200 0.648 6.857 1.00 0.00 O ATOM 80 OE2 GLU A 5 -4.018 2.091 8.021 1.00 0.00 O ATOM 0 H GLU A 5 -3.909 1.927 1.869 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.789 1.820 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.583 1.390 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.754 -0.152 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.332 0.560 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.582 2.259 5.937 1.00 0.00 H new ATOM 87 N TYR A 6 -1.458 -0.727 3.267 1.00 0.00 N ATOM 88 CA TYR A 6 -0.982 -1.938 2.606 1.00 0.00 C ATOM 89 C TYR A 6 -0.334 -2.893 3.608 1.00 0.00 C ATOM 90 O TYR A 6 0.527 -2.494 4.394 1.00 0.00 O ATOM 91 CB TYR A 6 0.006 -1.590 1.482 1.00 0.00 C ATOM 92 CG TYR A 6 1.451 -1.487 1.928 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.218 -2.628 2.132 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.045 -0.252 2.143 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.536 -2.539 2.539 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.362 -0.153 2.549 1.00 0.00 C ATOM 97 CZ TYR A 6 4.102 -1.299 2.746 1.00 0.00 C ATOM 98 OH TYR A 6 5.414 -1.206 3.151 1.00 0.00 O ATOM 0 H TYR A 6 -1.128 -0.614 4.225 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.844 -2.440 2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.068 -2.348 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.292 -0.642 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.777 -3.600 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.468 0.648 1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.119 -3.435 2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.809 0.817 2.711 1.00 0.00 H new ATOM 0 HH TYR A 6 5.742 -2.094 3.403 1.00 0.00 H new ATOM 108 N LYS A 7 -0.745 -4.155 3.563 1.00 0.00 N ATOM 109 CA LYS A 7 -0.196 -5.171 4.452 1.00 0.00 C ATOM 110 C LYS A 7 0.320 -6.357 3.642 1.00 0.00 C ATOM 111 O LYS A 7 -0.386 -6.895 2.789 1.00 0.00 O ATOM 112 CB LYS A 7 -1.244 -5.628 5.472 1.00 0.00 C ATOM 113 CG LYS A 7 -2.409 -6.393 4.867 1.00 0.00 C ATOM 114 CD LYS A 7 -3.231 -7.085 5.944 1.00 0.00 C ATOM 115 CE LYS A 7 -4.721 -7.008 5.651 1.00 0.00 C ATOM 116 NZ LYS A 7 -5.341 -8.359 5.564 1.00 0.00 N ATOM 0 H LYS A 7 -1.458 -4.499 2.919 1.00 0.00 H new ATOM 0 HA LYS A 7 0.638 -4.734 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.759 -6.257 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.631 -4.754 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.044 -5.709 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.034 -7.133 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.928 -8.129 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.026 -6.624 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.215 -6.432 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.879 -6.475 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.347 -8.296 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.252 -8.720 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.857 -9.006 6.219 1.00 0.00 H new ATOM 130 N TRP A 8 1.562 -6.751 3.904 1.00 0.00 N ATOM 131 CA TRP A 8 2.177 -7.863 3.190 1.00 0.00 C ATOM 132 C TRP A 8 1.441 -9.168 3.467 1.00 0.00 C ATOM 133 O TRP A 8 0.961 -9.830 2.547 1.00 0.00 O ATOM 134 CB TRP A 8 3.645 -8.005 3.598 1.00 0.00 C ATOM 135 CG TRP A 8 4.534 -6.953 3.012 1.00 0.00 C ATOM 136 CD1 TRP A 8 5.228 -5.994 3.694 1.00 0.00 C ATOM 137 CD2 TRP A 8 4.832 -6.755 1.625 1.00 0.00 C ATOM 138 NE1 TRP A 8 5.939 -5.212 2.814 1.00 0.00 N ATOM 139 CE2 TRP A 8 5.713 -5.660 1.539 1.00 0.00 C ATOM 140 CE3 TRP A 8 4.440 -7.398 0.448 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.207 -5.196 0.324 1.00 0.00 C ATOM 142 CZ3 TRP A 8 4.931 -6.936 -0.758 1.00 0.00 C ATOM 143 CH2 TRP A 8 5.806 -5.845 -0.812 1.00 0.00 C ATOM 0 H TRP A 8 2.162 -6.317 4.605 1.00 0.00 H new ATOM 0 HA TRP A 8 2.115 -7.651 2.123 1.00 0.00 H new ATOM 0 HB2 TRP A 8 3.717 -7.965 4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 8 4.006 -8.986 3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 8 5.220 -5.868 4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 8 6.537 -4.426 3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.765 -8.241 0.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 6.882 -4.354 0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 4.635 -7.425 -1.674 1.00 0.00 H new ATOM 0 HH2 TRP A 8 6.172 -5.508 -1.770 1.00 0.00 H new ATOM 154 N GLU A 9 1.363 -9.533 4.741 1.00 0.00 N ATOM 155 CA GLU A 9 0.692 -10.764 5.144 1.00 0.00 C ATOM 156 C GLU A 9 -0.801 -10.535 5.345 1.00 0.00 C ATOM 157 O GLU A 9 -1.215 -9.516 5.897 1.00 0.00 O ATOM 158 CB GLU A 9 1.312 -11.309 6.432 1.00 0.00 C ATOM 159 CG GLU A 9 2.805 -11.573 6.324 1.00 0.00 C ATOM 160 CD GLU A 9 3.233 -12.817 7.079 1.00 0.00 C ATOM 161 OE1 GLU A 9 2.759 -13.917 6.726 1.00 0.00 O ATOM 162 OE2 GLU A 9 4.041 -12.690 8.022 1.00 0.00 O ATOM 0 H GLU A 9 1.756 -8.995 5.513 1.00 0.00 H new ATOM 0 HA GLU A 9 0.823 -11.494 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.135 -10.599 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.806 -12.235 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.077 -11.678 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.351 -10.712 6.710 1.00 0.00 H new ATOM 169 N ASN A 10 -1.605 -11.494 4.895 1.00 0.00 N ATOM 170 CA ASN A 10 -3.054 -11.401 5.029 1.00 0.00 C ATOM 171 C ASN A 10 -3.548 -12.291 6.164 1.00 0.00 C ATOM 172 O ASN A 10 -4.608 -12.909 6.068 1.00 0.00 O ATOM 173 CB ASN A 10 -3.736 -11.796 3.718 1.00 0.00 C ATOM 174 CG ASN A 10 -3.157 -11.065 2.522 1.00 0.00 C ATOM 175 OD1 ASN A 10 -2.924 -11.660 1.470 1.00 0.00 O ATOM 176 ND2 ASN A 10 -2.923 -9.768 2.678 1.00 0.00 N ATOM 0 H ASN A 10 -1.277 -12.343 4.435 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.309 -10.367 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.634 -12.871 3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.803 -11.584 3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.535 -9.224 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.132 -9.316 3.568 1.00 0.00 H new ATOM 183 N THR A 11 -2.769 -12.347 7.238 1.00 0.00 N ATOM 184 CA THR A 11 -3.119 -13.159 8.400 1.00 0.00 C ATOM 185 C THR A 11 -4.209 -12.480 9.223 1.00 0.00 C ATOM 186 O THR A 11 -4.862 -11.546 8.756 1.00 0.00 O ATOM 187 CB THR A 11 -1.884 -13.399 9.275 1.00 0.00 C ATOM 188 OG1 THR A 11 -1.704 -12.339 10.197 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.602 -13.536 8.484 1.00 0.00 C ATOM 0 H THR A 11 -1.889 -11.839 7.329 1.00 0.00 H new ATOM 0 HA THR A 11 -3.495 -14.118 8.043 1.00 0.00 H new ATOM 0 HB THR A 11 -2.079 -14.341 9.787 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.911 -12.514 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.231 -13.704 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.685 -14.380 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.426 -12.623 7.915 1.00 0.00 H new ATOM 197 N GLY A 12 -4.387 -12.941 10.456 1.00 0.00 N ATOM 198 CA GLY A 12 -5.385 -12.352 11.330 1.00 0.00 C ATOM 199 C GLY A 12 -4.887 -11.077 11.989 1.00 0.00 C ATOM 200 O GLY A 12 -5.581 -10.485 12.815 1.00 0.00 O ATOM 0 H GLY A 12 -3.859 -13.711 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.286 -12.135 10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.663 -13.072 12.099 1.00 0.00 H new ATOM 204 N ASP A 13 -3.677 -10.655 11.623 1.00 0.00 N ATOM 205 CA ASP A 13 -3.082 -9.448 12.178 1.00 0.00 C ATOM 206 C ASP A 13 -2.080 -8.848 11.195 1.00 0.00 C ATOM 207 O ASP A 13 -2.264 -7.729 10.714 1.00 0.00 O ATOM 208 CB ASP A 13 -2.392 -9.758 13.510 1.00 0.00 C ATOM 209 CG ASP A 13 -2.889 -8.875 14.636 1.00 0.00 C ATOM 210 OD1 ASP A 13 -4.052 -9.046 15.057 1.00 0.00 O ATOM 211 OD2 ASP A 13 -2.114 -8.012 15.101 1.00 0.00 O ATOM 0 H ASP A 13 -3.090 -11.136 10.941 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.876 -8.722 12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.561 -10.803 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.316 -9.628 13.398 1.00 0.00 H new ATOM 216 N ALA A 14 -1.024 -9.604 10.894 1.00 0.00 N ATOM 217 CA ALA A 14 0.006 -9.153 9.961 1.00 0.00 C ATOM 218 C ALA A 14 0.464 -7.731 10.274 1.00 0.00 C ATOM 219 O ALA A 14 0.036 -7.129 11.258 1.00 0.00 O ATOM 220 CB ALA A 14 -0.509 -9.237 8.532 1.00 0.00 C ATOM 0 H ALA A 14 -0.860 -10.532 11.284 1.00 0.00 H new ATOM 0 HA ALA A 14 0.868 -9.811 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.267 -8.898 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.773 -10.269 8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.390 -8.604 8.425 1.00 0.00 H new ATOM 226 N GLU A 15 1.334 -7.201 9.424 1.00 0.00 N ATOM 227 CA GLU A 15 1.844 -5.848 9.599 1.00 0.00 C ATOM 228 C GLU A 15 0.938 -4.850 8.890 1.00 0.00 C ATOM 229 O GLU A 15 0.501 -5.085 7.764 1.00 0.00 O ATOM 230 CB GLU A 15 3.271 -5.733 9.057 1.00 0.00 C ATOM 231 CG GLU A 15 4.118 -6.973 9.293 1.00 0.00 C ATOM 232 CD GLU A 15 4.137 -7.399 10.748 1.00 0.00 C ATOM 233 OE1 GLU A 15 4.762 -6.690 11.565 1.00 0.00 O ATOM 234 OE2 GLU A 15 3.528 -8.439 11.071 1.00 0.00 O ATOM 0 H GLU A 15 1.701 -7.688 8.606 1.00 0.00 H new ATOM 0 HA GLU A 15 1.859 -5.623 10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.228 -5.532 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.759 -4.877 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.735 -7.792 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.138 -6.780 8.962 1.00 0.00 H new ATOM 241 N LEU A 16 0.650 -3.741 9.558 1.00 0.00 N ATOM 242 CA LEU A 16 -0.215 -2.716 8.989 1.00 0.00 C ATOM 243 C LEU A 16 0.577 -1.475 8.594 1.00 0.00 C ATOM 244 O LEU A 16 0.942 -0.659 9.440 1.00 0.00 O ATOM 245 CB LEU A 16 -1.318 -2.340 9.979 1.00 0.00 C ATOM 246 CG LEU A 16 -2.693 -2.109 9.352 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.628 -0.992 8.323 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.209 -3.391 8.717 1.00 0.00 C ATOM 0 H LEU A 16 1.001 -3.528 10.492 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.669 -3.129 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.403 -3.131 10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.019 -1.435 10.508 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.386 -1.811 10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.615 -0.841 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.300 -0.071 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.922 -1.261 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.189 -3.209 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.516 -3.717 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.292 -4.166 9.479 1.00 0.00 H new ATOM 260 N TYR A 17 0.826 -1.337 7.297 1.00 0.00 N ATOM 261 CA TYR A 17 1.560 -0.194 6.770 1.00 0.00 C ATOM 262 C TYR A 17 0.809 0.407 5.592 1.00 0.00 C ATOM 263 O TYR A 17 -0.247 -0.089 5.213 1.00 0.00 O ATOM 264 CB TYR A 17 2.957 -0.616 6.321 1.00 0.00 C ATOM 265 CG TYR A 17 3.783 -1.265 7.410 1.00 0.00 C ATOM 266 CD1 TYR A 17 4.091 -0.581 8.579 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.256 -2.564 7.265 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.846 -1.173 9.573 1.00 0.00 C ATOM 269 CE2 TYR A 17 5.011 -3.162 8.255 1.00 0.00 C ATOM 270 CZ TYR A 17 5.304 -2.463 9.407 1.00 0.00 C ATOM 271 OH TYR A 17 6.056 -3.055 10.395 1.00 0.00 O ATOM 0 H TYR A 17 0.528 -2.007 6.588 1.00 0.00 H new ATOM 0 HA TYR A 17 1.652 0.551 7.561 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.865 -1.311 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.488 0.260 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.735 0.430 8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.030 -3.114 6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.077 -0.628 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.370 -4.172 8.127 1.00 0.00 H new ATOM 0 HH TYR A 17 6.298 -3.964 10.121 1.00 0.00 H new ATOM 281 N GLY A 18 1.360 1.468 5.008 1.00 0.00 N ATOM 282 CA GLY A 18 0.721 2.089 3.869 1.00 0.00 C ATOM 283 C GLY A 18 0.066 3.439 4.144 1.00 0.00 C ATOM 284 O GLY A 18 -0.217 4.168 3.194 1.00 0.00 O ATOM 0 H GLY A 18 2.233 1.904 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.464 2.218 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.037 1.408 3.483 1.00 0.00 H new ATOM 288 N PRO A 19 -0.201 3.822 5.418 1.00 0.00 N ATOM 289 CA PRO A 19 -0.836 5.109 5.732 1.00 0.00 C ATOM 290 C PRO A 19 -0.317 6.260 4.870 1.00 0.00 C ATOM 291 O PRO A 19 -1.015 7.251 4.656 1.00 0.00 O ATOM 292 CB PRO A 19 -0.462 5.322 7.194 1.00 0.00 C ATOM 293 CG PRO A 19 -0.397 3.947 7.760 1.00 0.00 C ATOM 294 CD PRO A 19 0.079 3.049 6.645 1.00 0.00 C ATOM 0 HA PRO A 19 -1.909 5.092 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.494 5.837 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.205 5.930 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.286 3.908 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.375 3.630 8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.141 2.823 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.451 2.096 6.646 1.00 0.00 H new ATOM 302 N PHE A 20 0.912 6.116 4.379 1.00 0.00 N ATOM 303 CA PHE A 20 1.541 7.130 3.533 1.00 0.00 C ATOM 304 C PHE A 20 0.559 7.675 2.494 1.00 0.00 C ATOM 305 O PHE A 20 -0.507 7.099 2.263 1.00 0.00 O ATOM 306 CB PHE A 20 2.769 6.549 2.820 1.00 0.00 C ATOM 307 CG PHE A 20 3.529 5.540 3.636 1.00 0.00 C ATOM 308 CD1 PHE A 20 4.490 5.946 4.548 1.00 0.00 C ATOM 309 CD2 PHE A 20 3.277 4.184 3.492 1.00 0.00 C ATOM 310 CE1 PHE A 20 5.186 5.020 5.299 1.00 0.00 C ATOM 311 CE2 PHE A 20 3.970 3.253 4.242 1.00 0.00 C ATOM 312 CZ PHE A 20 4.925 3.672 5.146 1.00 0.00 C ATOM 0 H PHE A 20 1.497 5.299 4.554 1.00 0.00 H new ATOM 0 HA PHE A 20 1.852 7.950 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.448 6.081 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.441 7.365 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.697 6.999 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.531 3.852 2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.934 5.349 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.765 2.200 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.468 2.946 5.733 1.00 0.00 H new ATOM 322 N THR A 21 0.934 8.788 1.871 1.00 0.00 N ATOM 323 CA THR A 21 0.097 9.417 0.855 1.00 0.00 C ATOM 324 C THR A 21 -0.012 8.536 -0.381 1.00 0.00 C ATOM 325 O THR A 21 0.938 7.843 -0.745 1.00 0.00 O ATOM 326 CB THR A 21 0.670 10.783 0.471 1.00 0.00 C ATOM 327 OG1 THR A 21 2.077 10.713 0.322 1.00 0.00 O ATOM 328 CG2 THR A 21 0.368 11.864 1.487 1.00 0.00 C ATOM 0 H THR A 21 1.813 9.273 2.052 1.00 0.00 H new ATOM 0 HA THR A 21 -0.901 9.551 1.273 1.00 0.00 H new ATOM 0 HB THR A 21 0.187 11.046 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.424 11.596 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.802 12.807 1.155 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.711 11.977 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.796 11.587 2.451 1.00 0.00 H new ATOM 336 N SER A 22 -1.175 8.571 -1.031 1.00 0.00 N ATOM 337 CA SER A 22 -1.401 7.779 -2.237 1.00 0.00 C ATOM 338 C SER A 22 -0.227 7.929 -3.197 1.00 0.00 C ATOM 339 O SER A 22 0.099 7.013 -3.953 1.00 0.00 O ATOM 340 CB SER A 22 -2.698 8.213 -2.922 1.00 0.00 C ATOM 341 OG SER A 22 -2.777 7.698 -4.241 1.00 0.00 O ATOM 0 H SER A 22 -1.972 9.138 -0.743 1.00 0.00 H new ATOM 0 HA SER A 22 -1.489 6.731 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.553 7.866 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.752 9.301 -2.950 1.00 0.00 H new ATOM 0 HG SER A 22 -3.616 7.989 -4.656 1.00 0.00 H new ATOM 347 N ALA A 23 0.410 9.094 -3.147 1.00 0.00 N ATOM 348 CA ALA A 23 1.556 9.382 -3.992 1.00 0.00 C ATOM 349 C ALA A 23 2.727 8.474 -3.637 1.00 0.00 C ATOM 350 O ALA A 23 3.388 7.923 -4.516 1.00 0.00 O ATOM 351 CB ALA A 23 1.953 10.841 -3.841 1.00 0.00 C ATOM 0 H ALA A 23 0.147 9.858 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 23 1.282 9.193 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.813 11.052 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.119 11.477 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.212 11.042 -2.802 1.00 0.00 H new ATOM 357 N GLN A 24 2.973 8.318 -2.340 1.00 0.00 N ATOM 358 CA GLN A 24 4.060 7.472 -1.866 1.00 0.00 C ATOM 359 C GLN A 24 3.749 6.003 -2.128 1.00 0.00 C ATOM 360 O GLN A 24 4.650 5.196 -2.353 1.00 0.00 O ATOM 361 CB GLN A 24 4.305 7.701 -0.373 1.00 0.00 C ATOM 362 CG GLN A 24 5.684 7.258 0.089 1.00 0.00 C ATOM 363 CD GLN A 24 6.755 8.294 -0.189 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.516 9.496 -0.076 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.944 7.830 -0.554 1.00 0.00 N ATOM 0 H GLN A 24 2.434 8.767 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 24 4.964 7.739 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.179 8.760 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.549 7.163 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.655 7.050 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.948 6.326 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.096 6.825 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.705 8.479 -0.754 1.00 0.00 H new ATOM 374 N MET A 25 2.464 5.670 -2.105 1.00 0.00 N ATOM 375 CA MET A 25 2.025 4.302 -2.351 1.00 0.00 C ATOM 376 C MET A 25 2.170 3.958 -3.827 1.00 0.00 C ATOM 377 O MET A 25 2.694 2.902 -4.183 1.00 0.00 O ATOM 378 CB MET A 25 0.568 4.121 -1.916 1.00 0.00 C ATOM 379 CG MET A 25 0.386 4.014 -0.411 1.00 0.00 C ATOM 380 SD MET A 25 1.364 2.685 0.317 1.00 0.00 S ATOM 381 CE MET A 25 0.915 1.309 -0.741 1.00 0.00 C ATOM 0 H MET A 25 1.708 6.329 -1.918 1.00 0.00 H new ATOM 0 HA MET A 25 2.653 3.630 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.019 4.962 -2.285 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.167 3.223 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.665 4.960 0.053 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.668 3.848 -0.188 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.297 0.382 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.170 1.251 -0.822 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.345 1.456 -1.732 1.00 0.00 H new ATOM 391 N GLN A 26 1.707 4.863 -4.682 1.00 0.00 N ATOM 392 CA GLN A 26 1.787 4.669 -6.123 1.00 0.00 C ATOM 393 C GLN A 26 3.241 4.505 -6.557 1.00 0.00 C ATOM 394 O GLN A 26 3.544 3.744 -7.475 1.00 0.00 O ATOM 395 CB GLN A 26 1.141 5.857 -6.846 1.00 0.00 C ATOM 396 CG GLN A 26 1.390 5.882 -8.347 1.00 0.00 C ATOM 397 CD GLN A 26 0.679 4.761 -9.079 1.00 0.00 C ATOM 398 OE1 GLN A 26 -0.339 4.981 -9.735 1.00 0.00 O ATOM 399 NE2 GLN A 26 1.213 3.549 -8.970 1.00 0.00 N ATOM 0 H GLN A 26 1.271 5.741 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 26 1.246 3.761 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.066 5.836 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.519 6.782 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.060 6.840 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.461 5.810 -8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.058 3.412 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.778 2.756 -9.441 1.00 0.00 H new ATOM 408 N THR A 27 4.136 5.224 -5.887 1.00 0.00 N ATOM 409 CA THR A 27 5.558 5.155 -6.197 1.00 0.00 C ATOM 410 C THR A 27 6.112 3.770 -5.887 1.00 0.00 C ATOM 411 O THR A 27 6.586 3.066 -6.778 1.00 0.00 O ATOM 412 CB THR A 27 6.328 6.215 -5.407 1.00 0.00 C ATOM 413 OG1 THR A 27 5.708 7.482 -5.532 1.00 0.00 O ATOM 414 CG2 THR A 27 7.768 6.361 -5.850 1.00 0.00 C ATOM 0 H THR A 27 3.901 5.861 -5.126 1.00 0.00 H new ATOM 0 HA THR A 27 5.683 5.348 -7.263 1.00 0.00 H new ATOM 0 HB THR A 27 6.316 5.871 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.014 7.576 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.257 7.128 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.287 5.412 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.798 6.648 -6.901 1.00 0.00 H new ATOM 422 N TRP A 28 6.045 3.382 -4.615 1.00 0.00 N ATOM 423 CA TRP A 28 6.534 2.080 -4.184 1.00 0.00 C ATOM 424 C TRP A 28 5.884 0.963 -4.995 1.00 0.00 C ATOM 425 O TRP A 28 6.549 0.017 -5.416 1.00 0.00 O ATOM 426 CB TRP A 28 6.249 1.882 -2.696 1.00 0.00 C ATOM 427 CG TRP A 28 7.203 2.617 -1.804 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.561 2.697 -1.941 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.872 3.378 -0.637 1.00 0.00 C ATOM 430 NE1 TRP A 28 9.092 3.461 -0.928 1.00 0.00 N ATOM 431 CE2 TRP A 28 8.076 3.890 -0.116 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.674 3.677 0.018 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.114 4.682 1.028 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.713 4.463 1.153 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.925 4.959 1.648 1.00 0.00 C ATOM 0 H TRP A 28 5.656 3.954 -3.866 1.00 0.00 H new ATOM 0 HA TRP A 28 7.611 2.043 -4.350 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.233 2.214 -2.481 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.293 0.818 -2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.133 2.229 -2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 28 10.082 3.674 -0.802 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.734 3.300 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.048 5.064 1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.793 4.699 1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.922 5.572 2.537 1.00 0.00 H new ATOM 446 N VAL A 29 4.578 1.086 -5.214 1.00 0.00 N ATOM 447 CA VAL A 29 3.832 0.096 -5.978 1.00 0.00 C ATOM 448 C VAL A 29 4.241 0.121 -7.450 1.00 0.00 C ATOM 449 O VAL A 29 4.243 -0.910 -8.122 1.00 0.00 O ATOM 450 CB VAL A 29 2.313 0.338 -5.868 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.539 -0.673 -6.701 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.871 0.286 -4.413 1.00 0.00 C ATOM 0 H VAL A 29 4.015 1.864 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 29 4.067 -0.882 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 29 2.097 1.332 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.470 -0.481 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.832 -0.583 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.759 -1.680 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.796 0.459 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.105 -0.694 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.395 1.056 -3.846 1.00 0.00 H new ATOM 462 N SER A 30 4.582 1.308 -7.943 1.00 0.00 N ATOM 463 CA SER A 30 4.990 1.470 -9.334 1.00 0.00 C ATOM 464 C SER A 30 6.474 1.166 -9.510 1.00 0.00 C ATOM 465 O SER A 30 6.882 0.569 -10.507 1.00 0.00 O ATOM 466 CB SER A 30 4.690 2.892 -9.812 1.00 0.00 C ATOM 467 OG SER A 30 5.484 3.841 -9.122 1.00 0.00 O ATOM 0 H SER A 30 4.584 2.171 -7.400 1.00 0.00 H new ATOM 0 HA SER A 30 4.421 0.761 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.878 2.966 -10.883 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.634 3.116 -9.658 1.00 0.00 H new ATOM 0 HG SER A 30 5.757 3.471 -8.256 1.00 0.00 H new ATOM 473 N GLU A 31 7.280 1.581 -8.538 1.00 0.00 N ATOM 474 CA GLU A 31 8.721 1.353 -8.589 1.00 0.00 C ATOM 475 C GLU A 31 9.035 -0.132 -8.749 1.00 0.00 C ATOM 476 O GLU A 31 10.076 -0.501 -9.293 1.00 0.00 O ATOM 477 CB GLU A 31 9.392 1.893 -7.324 1.00 0.00 C ATOM 478 CG GLU A 31 10.773 2.479 -7.571 1.00 0.00 C ATOM 479 CD GLU A 31 11.887 1.529 -7.179 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.317 0.731 -8.038 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.331 1.583 -6.013 1.00 0.00 O ATOM 0 H GLU A 31 6.961 2.077 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 31 9.114 1.884 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.755 2.660 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.473 1.088 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.872 2.734 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.876 3.407 -7.008 1.00 0.00 H new ATOM 488 N GLY A 32 8.129 -0.980 -8.271 1.00 0.00 N ATOM 489 CA GLY A 32 8.331 -2.414 -8.372 1.00 0.00 C ATOM 490 C GLY A 32 8.667 -3.055 -7.039 1.00 0.00 C ATOM 491 O GLY A 32 8.995 -4.241 -6.980 1.00 0.00 O ATOM 0 H GLY A 32 7.260 -0.700 -7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.430 -2.876 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.136 -2.614 -9.079 1.00 0.00 H new ATOM 495 N TYR A 33 8.589 -2.274 -5.965 1.00 0.00 N ATOM 496 CA TYR A 33 8.889 -2.777 -4.630 1.00 0.00 C ATOM 497 C TYR A 33 8.047 -4.006 -4.303 1.00 0.00 C ATOM 498 O TYR A 33 8.532 -4.958 -3.693 1.00 0.00 O ATOM 499 CB TYR A 33 8.651 -1.684 -3.584 1.00 0.00 C ATOM 500 CG TYR A 33 9.911 -0.961 -3.165 1.00 0.00 C ATOM 501 CD1 TYR A 33 10.748 -1.492 -2.191 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.264 0.253 -3.742 1.00 0.00 C ATOM 503 CE1 TYR A 33 11.901 -0.834 -1.804 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.414 0.916 -3.361 1.00 0.00 C ATOM 505 CZ TYR A 33 12.229 0.369 -2.392 1.00 0.00 C ATOM 506 OH TYR A 33 13.376 1.027 -2.010 1.00 0.00 O ATOM 0 H TYR A 33 8.320 -1.290 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 33 9.939 -3.068 -4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.942 -0.959 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.188 -2.130 -2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.494 -2.434 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.629 0.685 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.541 -1.260 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.674 1.859 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 33 13.462 1.859 -2.521 1.00 0.00 H new ATOM 516 N PHE A 34 6.783 -3.979 -4.715 1.00 0.00 N ATOM 517 CA PHE A 34 5.878 -5.097 -4.467 1.00 0.00 C ATOM 518 C PHE A 34 5.700 -5.934 -5.731 1.00 0.00 C ATOM 519 O PHE A 34 4.865 -5.622 -6.579 1.00 0.00 O ATOM 520 CB PHE A 34 4.510 -4.601 -3.978 1.00 0.00 C ATOM 521 CG PHE A 34 4.558 -3.360 -3.125 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.673 -3.061 -2.354 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.477 -2.493 -3.092 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.706 -1.923 -1.571 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.506 -1.355 -2.310 1.00 0.00 C ATOM 526 CZ PHE A 34 4.621 -1.069 -1.550 1.00 0.00 C ATOM 0 H PHE A 34 6.363 -3.199 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 34 6.322 -5.717 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.879 -4.405 -4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.032 -5.398 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.524 -3.725 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.601 -2.710 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.580 -1.702 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.656 -0.689 -2.294 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.645 -0.178 -0.939 1.00 0.00 H new ATOM 536 N PRO A 35 6.490 -7.014 -5.878 1.00 0.00 N ATOM 537 CA PRO A 35 6.416 -7.892 -7.050 1.00 0.00 C ATOM 538 C PRO A 35 5.126 -8.706 -7.091 1.00 0.00 C ATOM 539 O PRO A 35 4.686 -9.133 -8.158 1.00 0.00 O ATOM 540 CB PRO A 35 7.624 -8.815 -6.881 1.00 0.00 C ATOM 541 CG PRO A 35 7.885 -8.830 -5.416 1.00 0.00 C ATOM 542 CD PRO A 35 7.518 -7.460 -4.918 1.00 0.00 C ATOM 0 HA PRO A 35 6.421 -7.325 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.413 -9.816 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.487 -8.443 -7.433 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.290 -9.598 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.931 -9.054 -5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.130 -7.493 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.378 -6.791 -4.910 1.00 0.00 H new ATOM 550 N ASP A 36 4.526 -8.924 -5.924 1.00 0.00 N ATOM 551 CA ASP A 36 3.295 -9.692 -5.833 1.00 0.00 C ATOM 552 C ASP A 36 2.148 -8.834 -5.297 1.00 0.00 C ATOM 553 O ASP A 36 1.113 -9.356 -4.883 1.00 0.00 O ATOM 554 CB ASP A 36 3.512 -10.905 -4.929 1.00 0.00 C ATOM 555 CG ASP A 36 2.280 -11.782 -4.817 1.00 0.00 C ATOM 556 OD1 ASP A 36 2.077 -12.636 -5.705 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.520 -11.615 -3.841 1.00 0.00 O ATOM 0 H ASP A 36 4.875 -8.578 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 36 3.023 -10.028 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.340 -11.498 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.802 -10.564 -3.935 1.00 0.00 H new ATOM 562 N GLY A 37 2.337 -7.517 -5.303 1.00 0.00 N ATOM 563 CA GLY A 37 1.308 -6.626 -4.809 1.00 0.00 C ATOM 564 C GLY A 37 1.155 -6.714 -3.306 1.00 0.00 C ATOM 565 O GLY A 37 1.905 -7.428 -2.641 1.00 0.00 O ATOM 0 H GLY A 37 3.182 -7.055 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.551 -5.601 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.358 -6.870 -5.285 1.00 0.00 H new ATOM 569 N VAL A 38 0.183 -5.991 -2.768 1.00 0.00 N ATOM 570 CA VAL A 38 -0.060 -5.998 -1.334 1.00 0.00 C ATOM 571 C VAL A 38 -1.521 -5.705 -1.024 1.00 0.00 C ATOM 572 O VAL A 38 -2.247 -5.163 -1.857 1.00 0.00 O ATOM 573 CB VAL A 38 0.829 -4.972 -0.604 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.231 -5.523 -0.415 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.874 -3.655 -1.364 1.00 0.00 C ATOM 0 H VAL A 38 -0.448 -5.394 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 38 0.190 -6.997 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 38 0.394 -4.784 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.845 -4.786 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.186 -6.437 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.670 -5.743 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.507 -2.948 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.281 -3.824 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.134 -3.248 -1.447 1.00 0.00 H new ATOM 585 N TYR A 39 -1.946 -6.063 0.182 1.00 0.00 N ATOM 586 CA TYR A 39 -3.320 -5.838 0.606 1.00 0.00 C ATOM 587 C TYR A 39 -3.519 -4.378 0.995 1.00 0.00 C ATOM 588 O TYR A 39 -3.366 -4.010 2.160 1.00 0.00 O ATOM 589 CB TYR A 39 -3.662 -6.754 1.782 1.00 0.00 C ATOM 590 CG TYR A 39 -4.722 -7.782 1.461 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.705 -8.474 0.256 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.739 -8.064 2.365 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.671 -9.416 -0.039 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.709 -9.005 2.076 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.671 -9.677 0.873 1.00 0.00 C ATOM 596 OH TYR A 39 -7.635 -10.616 0.583 1.00 0.00 O ATOM 0 H TYR A 39 -1.357 -6.511 0.884 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.988 -6.070 -0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.757 -7.267 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.001 -6.144 2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.924 -8.272 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.772 -7.539 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.643 -9.946 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.493 -9.213 2.789 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.265 -10.680 1.331 1.00 0.00 H new ATOM 606 N CYS A 40 -3.841 -3.547 0.010 1.00 0.00 N ATOM 607 CA CYS A 40 -4.036 -2.123 0.248 1.00 0.00 C ATOM 608 C CYS A 40 -5.493 -1.790 0.550 1.00 0.00 C ATOM 609 O CYS A 40 -6.409 -2.484 0.108 1.00 0.00 O ATOM 610 CB CYS A 40 -3.562 -1.315 -0.962 1.00 0.00 C ATOM 611 SG CYS A 40 -1.765 -1.199 -1.116 1.00 0.00 S ATOM 0 H CYS A 40 -3.972 -3.835 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.444 -1.856 1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.965 -1.768 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.976 -0.309 -0.898 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.461 -0.667 -2.263 1.00 0.00 H new ATOM 617 N ARG A 41 -5.691 -0.714 1.305 1.00 0.00 N ATOM 618 CA ARG A 41 -7.021 -0.261 1.675 1.00 0.00 C ATOM 619 C ARG A 41 -6.975 1.203 2.112 1.00 0.00 C ATOM 620 O ARG A 41 -6.018 1.637 2.754 1.00 0.00 O ATOM 621 CB ARG A 41 -7.579 -1.138 2.800 1.00 0.00 C ATOM 622 CG ARG A 41 -8.741 -0.508 3.547 1.00 0.00 C ATOM 623 CD ARG A 41 -9.843 -1.517 3.827 1.00 0.00 C ATOM 624 NE ARG A 41 -9.427 -2.525 4.798 1.00 0.00 N ATOM 625 CZ ARG A 41 -9.346 -2.304 6.108 1.00 0.00 C ATOM 626 NH1 ARG A 41 -9.647 -1.111 6.605 1.00 0.00 N ATOM 627 NH2 ARG A 41 -8.963 -3.277 6.923 1.00 0.00 N ATOM 0 H ARG A 41 -4.936 -0.136 1.674 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.678 -0.344 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.903 -2.090 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.780 -1.357 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.384 -0.088 4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.144 0.318 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.725 -0.996 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.131 -2.007 2.897 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.184 -3.453 4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.942 -0.359 5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.584 -0.946 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.730 -4.196 6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.901 -3.107 7.927 1.00 0.00 H new ATOM 641 N LYS A 42 -8.010 1.958 1.760 1.00 0.00 N ATOM 642 CA LYS A 42 -8.083 3.369 2.116 1.00 0.00 C ATOM 643 C LYS A 42 -8.262 3.542 3.620 1.00 0.00 C ATOM 644 O LYS A 42 -8.911 2.726 4.276 1.00 0.00 O ATOM 645 CB LYS A 42 -9.236 4.040 1.368 1.00 0.00 C ATOM 646 CG LYS A 42 -8.803 4.749 0.097 1.00 0.00 C ATOM 647 CD LYS A 42 -9.850 5.749 -0.371 1.00 0.00 C ATOM 648 CE LYS A 42 -10.579 5.256 -1.611 1.00 0.00 C ATOM 649 NZ LYS A 42 -11.999 5.703 -1.634 1.00 0.00 N ATOM 0 H LYS A 42 -8.810 1.616 1.228 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.146 3.844 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.983 3.287 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.718 4.760 2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.859 5.265 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.625 4.014 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.569 5.925 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.371 6.705 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.069 5.622 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.540 4.167 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.461 5.347 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.493 5.333 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.036 6.742 -1.626 1.00 0.00 H new ATOM 663 N LEU A 43 -7.685 4.609 4.162 1.00 0.00 N ATOM 664 CA LEU A 43 -7.782 4.889 5.591 1.00 0.00 C ATOM 665 C LEU A 43 -9.122 5.537 5.927 1.00 0.00 C ATOM 666 O LEU A 43 -9.929 4.970 6.663 1.00 0.00 O ATOM 667 CB LEU A 43 -6.636 5.802 6.036 1.00 0.00 C ATOM 668 CG LEU A 43 -5.307 5.583 5.307 1.00 0.00 C ATOM 669 CD1 LEU A 43 -4.213 6.431 5.933 1.00 0.00 C ATOM 670 CD2 LEU A 43 -4.920 4.113 5.327 1.00 0.00 C ATOM 0 H LEU A 43 -7.145 5.295 3.634 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.710 3.942 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.943 6.838 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.474 5.660 7.104 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.430 5.889 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.275 6.264 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.485 7.484 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.093 6.154 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.973 3.979 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.815 3.778 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.694 3.526 4.832 1.00 0.00 H new ATOM 682 N ASP A 44 -9.350 6.728 5.382 1.00 0.00 N ATOM 683 CA ASP A 44 -10.592 7.453 5.623 1.00 0.00 C ATOM 684 C ASP A 44 -11.410 7.572 4.336 1.00 0.00 C ATOM 685 O ASP A 44 -10.897 8.019 3.310 1.00 0.00 O ATOM 686 CB ASP A 44 -10.291 8.846 6.179 1.00 0.00 C ATOM 687 CG ASP A 44 -11.494 9.467 6.862 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.994 8.873 7.841 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.935 10.549 6.419 1.00 0.00 O ATOM 0 H ASP A 44 -8.691 7.211 4.771 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.176 6.894 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.467 8.781 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.962 9.495 5.368 1.00 0.00 H new ATOM 694 N PRO A 45 -12.699 7.176 4.365 1.00 0.00 N ATOM 695 CA PRO A 45 -13.353 6.638 5.565 1.00 0.00 C ATOM 696 C PRO A 45 -12.912 5.208 5.873 1.00 0.00 C ATOM 697 O PRO A 45 -12.714 4.404 4.962 1.00 0.00 O ATOM 698 CB PRO A 45 -14.837 6.673 5.199 1.00 0.00 C ATOM 699 CG PRO A 45 -14.858 6.536 3.717 1.00 0.00 C ATOM 700 CD PRO A 45 -13.619 7.227 3.214 1.00 0.00 C ATOM 0 HA PRO A 45 -13.105 7.210 6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.384 5.862 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.303 7.605 5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.865 5.486 3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.755 6.991 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.202 6.718 2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.827 8.254 2.913 1.00 0.00 H new ATOM 708 N PRO A 46 -12.752 4.869 7.165 1.00 0.00 N ATOM 709 CA PRO A 46 -12.332 3.528 7.582 1.00 0.00 C ATOM 710 C PRO A 46 -13.445 2.497 7.427 1.00 0.00 C ATOM 711 O PRO A 46 -14.577 2.722 7.855 1.00 0.00 O ATOM 712 CB PRO A 46 -11.977 3.715 9.057 1.00 0.00 C ATOM 713 CG PRO A 46 -12.827 4.851 9.506 1.00 0.00 C ATOM 714 CD PRO A 46 -12.965 5.765 8.319 1.00 0.00 C ATOM 0 HA PRO A 46 -11.510 3.149 6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -12.185 2.813 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.918 3.938 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.802 4.499 9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.369 5.371 10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.948 6.234 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.229 6.569 8.344 1.00 0.00 H new ATOM 722 N GLY A 47 -13.116 1.365 6.811 1.00 0.00 N ATOM 723 CA GLY A 47 -14.097 0.319 6.612 1.00 0.00 C ATOM 724 C GLY A 47 -13.505 -1.069 6.758 1.00 0.00 C ATOM 725 O GLY A 47 -13.283 -1.542 7.871 1.00 0.00 O ATOM 0 H GLY A 47 -12.186 1.156 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.906 0.443 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.535 0.421 5.619 1.00 0.00 H new ATOM 729 N GLY A 48 -13.250 -1.723 5.629 1.00 0.00 N ATOM 730 CA GLY A 48 -12.683 -3.059 5.655 1.00 0.00 C ATOM 731 C GLY A 48 -12.525 -3.648 4.269 1.00 0.00 C ATOM 732 O GLY A 48 -12.371 -2.919 3.290 1.00 0.00 O ATOM 0 H GLY A 48 -13.426 -1.351 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.711 -3.028 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.321 -3.710 6.252 1.00 0.00 H new ATOM 736 N GLN A 49 -12.566 -4.975 4.186 1.00 0.00 N ATOM 737 CA GLN A 49 -12.428 -5.670 2.912 1.00 0.00 C ATOM 738 C GLN A 49 -11.247 -5.128 2.114 1.00 0.00 C ATOM 739 O GLN A 49 -11.416 -4.480 1.081 1.00 0.00 O ATOM 740 CB GLN A 49 -13.715 -5.542 2.106 1.00 0.00 C ATOM 741 CG GLN A 49 -14.355 -6.877 1.763 1.00 0.00 C ATOM 742 CD GLN A 49 -15.278 -7.378 2.855 1.00 0.00 C ATOM 743 OE1 GLN A 49 -15.807 -6.596 3.645 1.00 0.00 O ATOM 744 NE2 GLN A 49 -15.478 -8.690 2.905 1.00 0.00 N ATOM 0 H GLN A 49 -12.694 -5.591 4.989 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.239 -6.724 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.428 -4.941 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.503 -5.002 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.917 -6.778 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.573 -7.616 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.019 -9.302 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.090 -9.086 3.618 1.00 0.00 H new ATOM 753 N PHE A 50 -10.050 -5.404 2.609 1.00 0.00 N ATOM 754 CA PHE A 50 -8.817 -4.955 1.962 1.00 0.00 C ATOM 755 C PHE A 50 -8.869 -5.191 0.454 1.00 0.00 C ATOM 756 O PHE A 50 -9.679 -5.979 -0.033 1.00 0.00 O ATOM 757 CB PHE A 50 -7.611 -5.684 2.562 1.00 0.00 C ATOM 758 CG PHE A 50 -6.846 -4.864 3.561 1.00 0.00 C ATOM 759 CD1 PHE A 50 -5.920 -3.923 3.140 1.00 0.00 C ATOM 760 CD2 PHE A 50 -7.050 -5.036 4.921 1.00 0.00 C ATOM 761 CE1 PHE A 50 -5.212 -3.169 4.057 1.00 0.00 C ATOM 762 CE2 PHE A 50 -6.346 -4.284 5.841 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.426 -3.350 5.410 1.00 0.00 C ATOM 0 H PHE A 50 -9.901 -5.941 3.463 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.715 -3.884 2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.954 -6.600 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.939 -5.980 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.750 -3.777 2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.767 -5.766 5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.492 -2.439 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.516 -4.427 6.898 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.875 -2.762 6.129 1.00 0.00 H new ATOM 773 N TYR A 51 -8.001 -4.501 -0.280 1.00 0.00 N ATOM 774 CA TYR A 51 -7.950 -4.634 -1.731 1.00 0.00 C ATOM 775 C TYR A 51 -6.507 -4.644 -2.227 1.00 0.00 C ATOM 776 O TYR A 51 -5.725 -3.746 -1.913 1.00 0.00 O ATOM 777 CB TYR A 51 -8.726 -3.493 -2.395 1.00 0.00 C ATOM 778 CG TYR A 51 -9.821 -3.963 -3.324 1.00 0.00 C ATOM 779 CD1 TYR A 51 -10.744 -4.918 -2.914 1.00 0.00 C ATOM 780 CD2 TYR A 51 -9.934 -3.453 -4.611 1.00 0.00 C ATOM 781 CE1 TYR A 51 -11.746 -5.352 -3.761 1.00 0.00 C ATOM 782 CE2 TYR A 51 -10.934 -3.881 -5.464 1.00 0.00 C ATOM 783 CZ TYR A 51 -11.838 -4.830 -5.034 1.00 0.00 C ATOM 784 OH TYR A 51 -12.834 -5.259 -5.880 1.00 0.00 O ATOM 0 H TYR A 51 -7.323 -3.844 0.107 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.412 -5.583 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.164 -2.864 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.029 -2.869 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.677 -5.328 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.229 -2.709 -4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.454 -6.097 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.007 -3.474 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.758 -4.791 -6.738 1.00 0.00 H new ATOM 794 N ASN A 52 -6.161 -5.666 -3.003 1.00 0.00 N ATOM 795 CA ASN A 52 -4.813 -5.797 -3.544 1.00 0.00 C ATOM 796 C ASN A 52 -4.401 -4.538 -4.303 1.00 0.00 C ATOM 797 O ASN A 52 -5.172 -4.000 -5.098 1.00 0.00 O ATOM 798 CB ASN A 52 -4.729 -7.013 -4.468 1.00 0.00 C ATOM 799 CG ASN A 52 -3.306 -7.506 -4.647 1.00 0.00 C ATOM 800 OD1 ASN A 52 -2.642 -7.175 -5.629 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.832 -8.303 -3.696 1.00 0.00 N ATOM 0 H ASN A 52 -6.797 -6.417 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.127 -5.934 -2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.341 -7.818 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.147 -6.756 -5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.881 -8.667 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.419 -8.551 -2.899 1.00 0.00 H new ATOM 808 N SER A 53 -3.181 -4.072 -4.051 1.00 0.00 N ATOM 809 CA SER A 53 -2.667 -2.875 -4.708 1.00 0.00 C ATOM 810 C SER A 53 -2.679 -3.034 -6.224 1.00 0.00 C ATOM 811 O SER A 53 -2.954 -2.085 -6.957 1.00 0.00 O ATOM 812 CB SER A 53 -1.247 -2.573 -4.227 1.00 0.00 C ATOM 813 OG SER A 53 -0.921 -1.207 -4.422 1.00 0.00 O ATOM 0 H SER A 53 -2.530 -4.506 -3.396 1.00 0.00 H new ATOM 0 HA SER A 53 -3.318 -2.042 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.157 -2.824 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.536 -3.200 -4.766 1.00 0.00 H new ATOM 0 HG SER A 53 -1.716 -0.721 -4.724 1.00 0.00 H new ATOM 819 N LYS A 54 -2.380 -4.242 -6.687 1.00 0.00 N ATOM 820 CA LYS A 54 -2.358 -4.529 -8.116 1.00 0.00 C ATOM 821 C LYS A 54 -3.758 -4.425 -8.725 1.00 0.00 C ATOM 822 O LYS A 54 -3.908 -4.409 -9.946 1.00 0.00 O ATOM 823 CB LYS A 54 -1.781 -5.925 -8.365 1.00 0.00 C ATOM 824 CG LYS A 54 -0.520 -5.919 -9.213 1.00 0.00 C ATOM 825 CD LYS A 54 -0.130 -7.325 -9.642 1.00 0.00 C ATOM 826 CE LYS A 54 1.377 -7.520 -9.607 1.00 0.00 C ATOM 827 NZ LYS A 54 1.836 -8.495 -10.635 1.00 0.00 N ATOM 0 H LYS A 54 -2.149 -5.039 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.723 -3.786 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.562 -6.395 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.536 -6.539 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.677 -5.299 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.297 -5.470 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.607 -8.052 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.499 -7.515 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.871 -6.562 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.675 -7.868 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.869 -8.599 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.385 -9.417 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.575 -8.151 -11.581 1.00 0.00 H new ATOM 841 N ARG A 55 -4.779 -4.358 -7.872 1.00 0.00 N ATOM 842 CA ARG A 55 -6.158 -4.261 -8.342 1.00 0.00 C ATOM 843 C ARG A 55 -6.737 -2.867 -8.097 1.00 0.00 C ATOM 844 O ARG A 55 -7.928 -2.638 -8.307 1.00 0.00 O ATOM 845 CB ARG A 55 -7.025 -5.316 -7.653 1.00 0.00 C ATOM 846 CG ARG A 55 -7.708 -6.269 -8.621 1.00 0.00 C ATOM 847 CD ARG A 55 -8.888 -5.609 -9.318 1.00 0.00 C ATOM 848 NE ARG A 55 -10.155 -6.254 -8.977 1.00 0.00 N ATOM 849 CZ ARG A 55 -10.524 -7.449 -9.433 1.00 0.00 C ATOM 850 NH1 ARG A 55 -9.726 -8.134 -10.243 1.00 0.00 N ATOM 851 NH2 ARG A 55 -11.694 -7.961 -9.076 1.00 0.00 N ATOM 0 H ARG A 55 -4.677 -4.369 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.157 -4.440 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.405 -5.892 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.784 -4.815 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.989 -6.609 -9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.051 -7.152 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.931 -4.556 -9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.740 -5.648 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.793 -5.760 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.824 -7.745 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.014 -9.049 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.310 -7.439 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.978 -8.877 -9.425 1.00 0.00 H new ATOM 865 N ILE A 56 -5.894 -1.937 -7.653 1.00 0.00 N ATOM 866 CA ILE A 56 -6.335 -0.575 -7.384 1.00 0.00 C ATOM 867 C ILE A 56 -5.782 0.396 -8.424 1.00 0.00 C ATOM 868 O ILE A 56 -4.736 0.151 -9.025 1.00 0.00 O ATOM 869 CB ILE A 56 -5.906 -0.118 -5.977 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.558 -1.008 -4.917 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.269 1.344 -5.749 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.250 -0.591 -3.497 1.00 0.00 C ATOM 0 H ILE A 56 -4.904 -2.104 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.424 -0.572 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.823 -0.211 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.638 -0.998 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.226 -2.036 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.957 1.645 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.763 1.964 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.347 1.470 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.747 -1.269 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.173 -0.628 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.608 0.425 -3.330 1.00 0.00 H new ATOM 884 N ASP A 57 -6.492 1.501 -8.630 1.00 0.00 N ATOM 885 CA ASP A 57 -6.074 2.512 -9.594 1.00 0.00 C ATOM 886 C ASP A 57 -5.693 3.810 -8.889 1.00 0.00 C ATOM 887 O ASP A 57 -6.511 4.721 -8.760 1.00 0.00 O ATOM 888 CB ASP A 57 -7.193 2.777 -10.605 1.00 0.00 C ATOM 889 CG ASP A 57 -6.680 3.429 -11.875 1.00 0.00 C ATOM 890 OD1 ASP A 57 -5.859 4.365 -11.771 1.00 0.00 O ATOM 891 OD2 ASP A 57 -7.100 3.004 -12.971 1.00 0.00 O ATOM 0 H ASP A 57 -7.360 1.719 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.198 2.135 -10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.684 1.836 -10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.947 3.419 -10.149 1.00 0.00 H new ATOM 896 N PHE A 58 -4.447 3.887 -8.436 1.00 0.00 N ATOM 897 CA PHE A 58 -3.957 5.074 -7.745 1.00 0.00 C ATOM 898 C PHE A 58 -4.044 6.310 -8.638 1.00 0.00 C ATOM 899 O PHE A 58 -4.048 7.440 -8.151 1.00 0.00 O ATOM 900 CB PHE A 58 -2.512 4.866 -7.289 1.00 0.00 C ATOM 901 CG PHE A 58 -2.338 3.712 -6.342 1.00 0.00 C ATOM 902 CD1 PHE A 58 -2.477 3.893 -4.975 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.032 2.447 -6.819 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.315 2.834 -4.102 1.00 0.00 C ATOM 905 CE2 PHE A 58 -1.868 1.385 -5.951 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.010 1.579 -4.590 1.00 0.00 C ATOM 0 H PHE A 58 -3.758 3.142 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.590 5.235 -6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.884 4.704 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.158 5.777 -6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.715 4.873 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.921 2.290 -7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.427 2.988 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.629 0.404 -6.335 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.883 0.750 -3.909 1.00 0.00 H new ATOM 916 N ASP A 59 -4.110 6.087 -9.947 1.00 0.00 N ATOM 917 CA ASP A 59 -4.192 7.183 -10.908 1.00 0.00 C ATOM 918 C ASP A 59 -5.621 7.711 -11.038 1.00 0.00 C ATOM 919 O ASP A 59 -5.851 8.747 -11.661 1.00 0.00 O ATOM 920 CB ASP A 59 -3.680 6.727 -12.274 1.00 0.00 C ATOM 921 CG ASP A 59 -3.113 7.870 -13.092 1.00 0.00 C ATOM 922 OD1 ASP A 59 -3.484 9.033 -12.825 1.00 0.00 O ATOM 923 OD2 ASP A 59 -2.297 7.603 -14.000 1.00 0.00 O ATOM 0 H ASP A 59 -4.108 5.158 -10.367 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.565 7.995 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.911 5.967 -12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.495 6.258 -12.826 1.00 0.00 H new ATOM 928 N LEU A 60 -6.580 6.996 -10.453 1.00 0.00 N ATOM 929 CA LEU A 60 -7.975 7.401 -10.514 1.00 0.00 C ATOM 930 C LEU A 60 -8.379 8.176 -9.265 1.00 0.00 C ATOM 931 O LEU A 60 -9.541 8.158 -8.858 1.00 0.00 O ATOM 932 CB LEU A 60 -8.879 6.178 -10.684 1.00 0.00 C ATOM 933 CG LEU A 60 -8.993 5.651 -12.115 1.00 0.00 C ATOM 934 CD1 LEU A 60 -9.768 4.342 -12.141 1.00 0.00 C ATOM 935 CD2 LEU A 60 -9.660 6.684 -13.011 1.00 0.00 C ATOM 0 H LEU A 60 -6.413 6.135 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.094 8.056 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.504 5.377 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.877 6.430 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.989 5.463 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.839 3.982 -13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.251 3.601 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.770 4.504 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.733 6.293 -14.026 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.659 6.902 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.066 7.598 -13.017 1.00 0.00 H new ATOM 947 N TYR A 61 -7.413 8.857 -8.660 1.00 0.00 N ATOM 948 CA TYR A 61 -7.664 9.637 -7.458 1.00 0.00 C ATOM 949 C TYR A 61 -6.946 10.983 -7.520 1.00 0.00 C ATOM 950 O TYR A 61 -7.536 12.026 -7.238 1.00 0.00 O ATOM 951 CB TYR A 61 -7.210 8.860 -6.224 1.00 0.00 C ATOM 952 CG TYR A 61 -7.808 7.475 -6.128 1.00 0.00 C ATOM 953 CD1 TYR A 61 -9.184 7.296 -6.051 1.00 0.00 C ATOM 954 CD2 TYR A 61 -6.998 6.348 -6.118 1.00 0.00 C ATOM 955 CE1 TYR A 61 -9.735 6.031 -5.966 1.00 0.00 C ATOM 956 CE2 TYR A 61 -7.541 5.080 -6.032 1.00 0.00 C ATOM 957 CZ TYR A 61 -8.910 4.927 -5.957 1.00 0.00 C ATOM 958 OH TYR A 61 -9.457 3.665 -5.875 1.00 0.00 O ATOM 0 H TYR A 61 -6.446 8.884 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.736 9.823 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.123 8.778 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.477 9.425 -5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.833 8.159 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.926 6.464 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.806 5.908 -5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.897 4.213 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.876 3.026 -6.338 1.00 0.00 H new ATOM 968 N THR A 62 -5.671 10.950 -7.890 1.00 0.00 N ATOM 969 CA THR A 62 -4.872 12.166 -7.990 1.00 0.00 C ATOM 970 C THR A 62 -5.475 13.133 -9.004 1.00 0.00 C ATOM 971 O THR A 62 -5.546 12.769 -10.197 1.00 0.00 O ATOM 972 CB THR A 62 -3.435 11.826 -8.385 1.00 0.00 C ATOM 973 OG1 THR A 62 -3.414 10.838 -9.401 1.00 0.00 O ATOM 974 CG2 THR A 62 -2.603 11.314 -7.230 1.00 0.00 C ATOM 975 OXT THR A 62 -5.872 14.245 -8.598 1.00 0.00 O ATOM 0 H THR A 62 -5.168 10.094 -8.126 1.00 0.00 H new ATOM 0 HA THR A 62 -4.868 12.649 -7.013 1.00 0.00 H new ATOM 0 HB THR A 62 -3.003 12.763 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.081 11.058 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.594 11.092 -7.579 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.558 12.073 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.056 10.408 -6.829 1.00 0.00 H new TER 983 THR A 62 ATOM 984 N SER B 63 18.487 11.786 0.727 1.00 1.74 N ATOM 985 CA SER B 63 18.550 10.844 -0.422 1.00 0.57 C ATOM 986 C SER B 63 17.339 11.008 -1.335 1.00 0.32 C ATOM 987 O SER B 63 16.451 11.817 -1.065 1.00 0.57 O ATOM 988 CB SER B 63 18.613 9.415 0.122 1.00 3.21 C ATOM 989 OG SER B 63 19.949 9.032 0.395 1.00 3.64 O ATOM 0 HA SER B 63 19.439 11.060 -1.014 1.00 0.57 H new ATOM 0 HB2 SER B 63 18.017 9.342 1.032 1.00 3.21 H new ATOM 0 HB3 SER B 63 18.175 8.727 -0.601 1.00 3.21 H new ATOM 0 HG SER B 63 19.962 8.116 0.743 1.00 3.64 H new ATOM 997 N HIS B 64 17.310 10.236 -2.417 1.00 0.01 N ATOM 998 CA HIS B 64 16.208 10.297 -3.369 1.00 0.01 C ATOM 999 C HIS B 64 14.897 9.871 -2.715 1.00 0.01 C ATOM 1000 O HIS B 64 14.071 10.710 -2.355 1.00 0.01 O ATOM 1001 CB HIS B 64 16.505 9.412 -4.581 1.00 2.00 C ATOM 1002 CG HIS B 64 17.649 9.902 -5.414 1.00 2.30 C ATOM 1003 ND1 HIS B 64 18.914 9.358 -5.349 1.00 2.04 N ATOM 1004 CD2 HIS B 64 17.713 10.892 -6.335 1.00 3.49 C ATOM 1005 CE1 HIS B 64 19.708 9.993 -6.192 1.00 3.15 C ATOM 1006 NE2 HIS B 64 19.004 10.928 -6.802 1.00 3.94 N ATOM 0 H HIS B 64 18.037 9.561 -2.656 1.00 0.01 H new ATOM 0 HA HIS B 64 16.104 11.330 -3.701 1.00 0.01 H new ATOM 0 HB2 HIS B 64 16.723 8.401 -4.237 1.00 2.00 H new ATOM 0 HB3 HIS B 64 15.612 9.351 -5.204 1.00 2.00 H new ATOM 0 HD2 HIS B 64 16.901 11.533 -6.645 1.00 3.49 H new ATOM 0 HE1 HIS B 64 20.755 9.783 -6.354 1.00 3.15 H new ATOM 0 HE2 HIS B 64 19.361 11.573 -7.507 1.00 3.94 H new ATOM 1015 N ARG B 65 14.712 8.563 -2.561 1.00 0.01 N ATOM 1016 CA ARG B 65 13.501 8.031 -1.947 1.00 0.01 C ATOM 1017 C ARG B 65 13.817 6.811 -1.085 1.00 0.01 C ATOM 1018 O ARG B 65 14.641 5.975 -1.457 1.00 0.01 O ATOM 1019 CB ARG B 65 12.478 7.660 -3.020 1.00 2.83 C ATOM 1020 CG ARG B 65 11.139 7.212 -2.457 1.00 4.16 C ATOM 1021 CD ARG B 65 10.172 6.821 -3.564 1.00 5.14 C ATOM 1022 NE ARG B 65 10.155 7.801 -4.648 1.00 5.48 N ATOM 1023 CZ ARG B 65 9.506 8.962 -4.588 1.00 6.18 C ATOM 1024 NH1 ARG B 65 8.820 9.292 -3.502 1.00 6.89 N ATOM 1025 NH2 ARG B 65 9.543 9.795 -5.620 1.00 6.46 N ATOM 0 H ARG B 65 15.384 7.854 -2.853 1.00 0.01 H new ATOM 0 HA ARG B 65 13.080 8.806 -1.307 1.00 0.01 H new ATOM 0 HB2 ARG B 65 12.319 8.520 -3.671 1.00 2.83 H new ATOM 0 HB3 ARG B 65 12.887 6.862 -3.640 1.00 2.83 H new ATOM 0 HG2 ARG B 65 11.290 6.365 -1.788 1.00 4.16 H new ATOM 0 HG3 ARG B 65 10.706 8.016 -1.861 1.00 4.16 H new ATOM 0 HD2 ARG B 65 10.452 5.845 -3.962 1.00 5.14 H new ATOM 0 HD3 ARG B 65 9.169 6.721 -3.150 1.00 5.14 H new ATOM 0 HE ARG B 65 10.671 7.583 -5.501 1.00 5.48 H new ATOM 0 HH11 ARG B 65 8.787 8.655 -2.706 1.00 6.89 H new ATOM 0 HH12 ARG B 65 8.325 10.183 -3.463 1.00 6.89 H new ATOM 0 HH21 ARG B 65 10.068 9.546 -6.458 1.00 6.46 H new ATOM 0 HH22 ARG B 65 9.046 10.685 -5.575 1.00 6.46 H new ATOM 1039 N PRO B 66 13.165 6.695 0.084 1.00 0.01 N ATOM 1040 CA PRO B 66 13.379 5.581 1.002 1.00 0.01 C ATOM 1041 C PRO B 66 12.533 4.360 0.657 1.00 0.01 C ATOM 1042 O PRO B 66 11.672 4.413 -0.221 1.00 0.00 O ATOM 1043 CB PRO B 66 12.944 6.165 2.341 1.00 0.01 C ATOM 1044 CG PRO B 66 11.861 7.131 1.992 1.00 0.00 C ATOM 1045 CD PRO B 66 12.172 7.651 0.608 1.00 0.01 C ATOM 0 HA PRO B 66 14.407 5.221 0.978 1.00 0.01 H new ATOM 0 HB2 PRO B 66 12.581 5.388 3.014 1.00 0.01 H new ATOM 0 HB3 PRO B 66 13.772 6.662 2.845 1.00 0.01 H new ATOM 0 HG2 PRO B 66 10.886 6.643 2.012 1.00 0.00 H new ATOM 0 HG3 PRO B 66 11.824 7.948 2.713 1.00 0.00 H new ATOM 0 HD2 PRO B 66 11.279 7.682 -0.017 1.00 0.01 H new ATOM 0 HD3 PRO B 66 12.573 8.664 0.643 1.00 0.01 H new ATOM 1053 N PRO B 67 12.777 3.238 1.354 1.00 0.01 N ATOM 1054 CA PRO B 67 12.053 1.994 1.137 1.00 0.01 C ATOM 1055 C PRO B 67 10.821 1.877 2.031 1.00 0.01 C ATOM 1056 O PRO B 67 10.775 2.458 3.115 1.00 0.00 O ATOM 1057 CB PRO B 67 13.095 0.948 1.520 1.00 0.47 C ATOM 1058 CG PRO B 67 13.915 1.595 2.593 1.00 0.66 C ATOM 1059 CD PRO B 67 13.787 3.093 2.413 1.00 0.42 C ATOM 0 HA PRO B 67 11.668 1.899 0.122 1.00 0.01 H new ATOM 0 HB2 PRO B 67 12.623 0.034 1.881 1.00 0.47 H new ATOM 0 HB3 PRO B 67 13.711 0.672 0.664 1.00 0.47 H new ATOM 0 HG2 PRO B 67 13.563 1.295 3.580 1.00 0.66 H new ATOM 0 HG3 PRO B 67 14.958 1.286 2.519 1.00 0.66 H new ATOM 0 HD2 PRO B 67 13.471 3.580 3.335 1.00 0.42 H new ATOM 0 HD3 PRO B 67 14.737 3.543 2.123 1.00 0.42 H new ATOM 1067 N PRO B 68 9.804 1.121 1.589 1.00 0.01 N ATOM 1068 CA PRO B 68 8.573 0.931 2.356 1.00 0.00 C ATOM 1069 C PRO B 68 8.749 -0.084 3.482 1.00 0.01 C ATOM 1070 O PRO B 68 9.613 -0.958 3.411 1.00 0.00 O ATOM 1071 CB PRO B 68 7.592 0.409 1.308 1.00 0.01 C ATOM 1072 CG PRO B 68 8.446 -0.324 0.331 1.00 0.01 C ATOM 1073 CD PRO B 68 9.773 0.388 0.307 1.00 0.00 C ATOM 0 HA PRO B 68 8.245 1.846 2.849 1.00 0.00 H new ATOM 0 HB2 PRO B 68 6.846 -0.248 1.755 1.00 0.01 H new ATOM 0 HB3 PRO B 68 7.051 1.225 0.829 1.00 0.01 H new ATOM 0 HG2 PRO B 68 8.570 -1.365 0.628 1.00 0.01 H new ATOM 0 HG3 PRO B 68 7.989 -0.327 -0.659 1.00 0.01 H new ATOM 0 HD2 PRO B 68 10.602 -0.315 0.228 1.00 0.00 H new ATOM 0 HD3 PRO B 68 9.848 1.066 -0.543 1.00 0.00 H new ATOM 1081 N PRO B 69 7.926 0.013 4.541 1.00 0.01 N ATOM 1082 CA PRO B 69 7.998 -0.906 5.682 1.00 0.01 C ATOM 1083 C PRO B 69 7.712 -2.348 5.279 1.00 0.01 C ATOM 1084 O PRO B 69 7.424 -2.633 4.118 1.00 0.01 O ATOM 1085 CB PRO B 69 6.910 -0.394 6.633 1.00 0.01 C ATOM 1086 CG PRO B 69 5.996 0.409 5.774 1.00 0.00 C ATOM 1087 CD PRO B 69 6.863 1.018 4.711 1.00 0.01 C ATOM 0 HA PRO B 69 8.993 -0.921 6.126 1.00 0.01 H new ATOM 0 HB2 PRO B 69 6.381 -1.220 7.109 1.00 0.01 H new ATOM 0 HB3 PRO B 69 7.337 0.213 7.431 1.00 0.01 H new ATOM 0 HG2 PRO B 69 5.221 -0.219 5.334 1.00 0.00 H new ATOM 0 HG3 PRO B 69 5.490 1.180 6.355 1.00 0.00 H new ATOM 0 HD2 PRO B 69 6.312 1.184 3.785 1.00 0.01 H new ATOM 0 HD3 PRO B 69 7.265 1.983 5.020 1.00 0.01 H new ATOM 1095 N GLY B 70 7.795 -3.252 6.248 1.00 0.44 N ATOM 1096 CA GLY B 70 7.543 -4.653 5.976 1.00 0.65 C ATOM 1097 C GLY B 70 8.747 -5.351 5.378 1.00 0.50 C ATOM 1098 O GLY B 70 9.384 -6.170 6.037 1.00 0.56 O ATOM 0 H GLY B 70 8.032 -3.039 7.217 1.00 0.44 H new ATOM 0 HA2 GLY B 70 7.258 -5.154 6.901 1.00 0.65 H new ATOM 0 HA3 GLY B 70 6.699 -4.741 5.292 1.00 0.65 H new ATOM 1102 N HIS B 71 9.054 -5.022 4.124 1.00 0.43 N ATOM 1103 CA HIS B 71 10.192 -5.611 3.416 1.00 0.26 C ATOM 1104 C HIS B 71 10.279 -7.116 3.640 1.00 1.40 C ATOM 1105 O HIS B 71 9.336 -7.740 4.127 1.00 2.07 O ATOM 1106 CB HIS B 71 11.497 -4.925 3.845 1.00 1.36 C ATOM 1107 CG HIS B 71 12.012 -5.310 5.200 1.00 2.14 C ATOM 1108 ND1 HIS B 71 12.660 -4.411 6.003 1.00 3.29 N ATOM 1109 CD2 HIS B 71 11.998 -6.482 5.888 1.00 2.59 C ATOM 1110 CE1 HIS B 71 13.026 -5.000 7.129 1.00 4.17 C ATOM 1111 NE2 HIS B 71 12.634 -6.258 7.082 1.00 3.81 N ATOM 0 H HIS B 71 8.526 -4.345 3.573 1.00 0.43 H new ATOM 0 HA HIS B 71 10.040 -5.449 2.349 1.00 0.26 H new ATOM 0 HB2 HIS B 71 12.266 -5.150 3.106 1.00 1.36 H new ATOM 0 HB3 HIS B 71 11.343 -3.846 3.827 1.00 1.36 H new ATOM 0 HD2 HIS B 71 11.567 -7.415 5.556 1.00 2.59 H new ATOM 0 HE1 HIS B 71 13.555 -4.532 7.946 1.00 4.17 H new ATOM 0 HE2 HIS B 71 12.780 -6.952 7.815 1.00 3.81 H new ATOM 1120 N ARG B 72 11.427 -7.691 3.292 1.00 2.21 N ATOM 1121 CA ARG B 72 11.650 -9.120 3.466 1.00 3.46 C ATOM 1122 C ARG B 72 12.996 -9.533 2.881 1.00 4.52 C ATOM 1123 O ARG B 72 13.173 -9.565 1.664 1.00 5.58 O ATOM 1124 CB ARG B 72 10.526 -9.927 2.809 1.00 3.97 C ATOM 1125 CG ARG B 72 10.130 -9.412 1.435 1.00 4.43 C ATOM 1126 CD ARG B 72 9.720 -10.547 0.512 1.00 5.21 C ATOM 1127 NE ARG B 72 10.819 -10.980 -0.346 1.00 5.65 N ATOM 1128 CZ ARG B 72 10.771 -12.057 -1.128 1.00 6.19 C ATOM 1129 NH1 ARG B 72 9.679 -12.812 -1.161 1.00 6.95 N ATOM 1130 NH2 ARG B 72 11.814 -12.380 -1.877 1.00 6.14 N ATOM 0 H ARG B 72 12.217 -7.187 2.888 1.00 2.21 H new ATOM 0 HA ARG B 72 11.655 -9.330 4.536 1.00 3.46 H new ATOM 0 HB2 ARG B 72 10.840 -10.967 2.721 1.00 3.97 H new ATOM 0 HB3 ARG B 72 9.651 -9.912 3.459 1.00 3.97 H new ATOM 0 HG2 ARG B 72 9.305 -8.706 1.534 1.00 4.43 H new ATOM 0 HG3 ARG B 72 10.965 -8.867 0.995 1.00 4.43 H new ATOM 0 HD2 ARG B 72 9.372 -11.391 1.108 1.00 5.21 H new ATOM 0 HD3 ARG B 72 8.882 -10.226 -0.107 1.00 5.21 H new ATOM 0 HE ARG B 72 11.675 -10.425 -0.347 1.00 5.65 H new ATOM 0 HH11 ARG B 72 8.873 -12.568 -0.586 1.00 6.95 H new ATOM 0 HH12 ARG B 72 9.647 -13.636 -1.761 1.00 6.95 H new ATOM 0 HH21 ARG B 72 12.655 -11.804 -1.855 1.00 6.14 H new ATOM 0 HH22 ARG B 72 11.776 -13.205 -2.476 1.00 6.14 H new ATOM 1144 N VAL B 73 13.943 -9.849 3.759 1.00 4.34 N ATOM 1145 CA VAL B 73 15.275 -10.259 3.330 1.00 5.27 C ATOM 1146 C VAL B 73 15.814 -11.384 4.209 1.00 4.88 C ATOM 1147 O VAL B 73 16.517 -11.079 5.196 1.00 4.84 O ATOM 1148 CB VAL B 73 16.264 -9.077 3.354 1.00 4.97 C ATOM 1149 CG1 VAL B 73 16.073 -8.199 2.127 1.00 5.74 C ATOM 1150 CG2 VAL B 73 16.099 -8.264 4.630 1.00 4.69 C ATOM 1151 OXT VAL B 73 15.528 -12.560 3.905 1.00 4.84 O ATOM 0 H VAL B 73 13.813 -9.829 4.770 1.00 4.34 H new ATOM 0 HA VAL B 73 15.181 -10.619 2.305 1.00 5.27 H new ATOM 0 HB VAL B 73 17.278 -9.476 3.335 1.00 4.97 H new ATOM 0 HG11 VAL B 73 16.779 -7.369 2.160 1.00 5.74 H new ATOM 0 HG12 VAL B 73 16.247 -8.789 1.227 1.00 5.74 H new ATOM 0 HG13 VAL B 73 15.055 -7.809 2.114 1.00 5.74 H new ATOM 0 HG21 VAL B 73 16.806 -7.435 4.627 1.00 4.69 H new ATOM 0 HG22 VAL B 73 15.083 -7.874 4.684 1.00 4.69 H new ATOM 0 HG23 VAL B 73 16.290 -8.900 5.494 1.00 4.69 H new TER 1161 VAL B 73