USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 786 hydrogens (18 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.74) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -3.09 K(o=-3.1,f=-6.6!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 20 ASN : amide:sc= -0.0647 K(o=-0.065,f=-0.62) USER MOD Single : A 21 ASN : amide:sc=1.13e-05 X(o=1.1e-05,f=0) USER MOD Single : A 28 SER OG : rot -42:sc= 1.26 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.761 K(o=0.76,f=-6.2!) USER MOD Single : A 41 THR OG1 : rot -74:sc= 0.196 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 46 SER OG : rot -14:sc= -0.276 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00111) USER MOD Single : A 50 TYR OH : rot 108:sc= 0.619 USER MOD Single : A 56 GLN : amide:sc= -0.804 K(o=-0.8,f=-1.8) USER MOD Single : A 64 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.48) USER MOD Single : A 66 MET CE :methyl -105:sc= -0.243 (180deg=-2.51) USER MOD Single : A 69 GLN : amide:sc= -1.03 K(o=-1,f=-0.28) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 53:sc= 0.426 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 86 MET CE :methyl -116:sc= -4.88! (180deg=-8.28!) USER MOD Single : A 87 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.12) USER MOD Single : A 89 MET CE :methyl -160:sc= -0.148 (180deg=-0.821) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 97 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.46) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 108 WSK O0 : rot -150:sc= -0.0887 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.159 18.690 20.970 1.00 0.00 N ATOM 2 CA SER A 1 -8.291 19.289 19.617 1.00 0.00 C ATOM 3 C SER A 1 -7.169 18.821 18.694 1.00 0.00 C ATOM 4 O SER A 1 -6.002 18.791 19.087 1.00 0.00 O ATOM 5 CB SER A 1 -8.260 20.812 19.753 1.00 0.00 C ATOM 6 OG SER A 1 -9.018 21.431 18.728 1.00 0.00 O ATOM 0 H1 SER A 1 -8.935 19.026 21.576 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.201 17.653 20.896 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.248 18.971 21.387 1.00 0.00 H new ATOM 0 HA SER A 1 -9.235 18.969 19.175 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.655 21.101 20.727 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.229 21.163 19.710 1.00 0.00 H new ATOM 0 HG SER A 1 -8.984 22.404 18.838 1.00 0.00 H new ATOM 14 N GLY A 2 -7.531 18.458 17.469 1.00 0.00 N ATOM 15 CA GLY A 2 -6.544 17.998 16.510 1.00 0.00 C ATOM 16 C GLY A 2 -6.858 18.448 15.096 1.00 0.00 C ATOM 17 O GLY A 2 -7.034 17.623 14.200 1.00 0.00 O ATOM 0 H GLY A 2 -8.490 18.474 17.123 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.561 18.371 16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.493 16.910 16.539 1.00 0.00 H new ATOM 21 N PHE A 3 -6.931 19.760 14.898 1.00 0.00 N ATOM 22 CA PHE A 3 -7.228 20.318 13.584 1.00 0.00 C ATOM 23 C PHE A 3 -6.014 20.227 12.666 1.00 0.00 C ATOM 24 O PHE A 3 -4.985 20.856 12.915 1.00 0.00 O ATOM 25 CB PHE A 3 -7.674 21.776 13.714 1.00 0.00 C ATOM 26 CG PHE A 3 -8.067 22.404 12.407 1.00 0.00 C ATOM 27 CD1 PHE A 3 -7.103 22.906 11.549 1.00 0.00 C ATOM 28 CD2 PHE A 3 -9.400 22.491 12.039 1.00 0.00 C ATOM 29 CE1 PHE A 3 -7.461 23.484 10.346 1.00 0.00 C ATOM 30 CE2 PHE A 3 -9.764 23.068 10.837 1.00 0.00 C ATOM 31 CZ PHE A 3 -8.793 23.565 9.989 1.00 0.00 C ATOM 0 H PHE A 3 -6.789 20.456 15.630 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.038 19.735 13.145 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.518 21.829 14.401 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -6.865 22.356 14.158 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.060 22.845 11.823 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.163 22.104 12.698 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -6.700 23.872 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -10.806 23.130 10.561 1.00 0.00 H new ATOM 0 HZ PHE A 3 -9.075 24.016 9.049 1.00 0.00 H new ATOM 41 N LYS A 4 -6.140 19.438 11.604 1.00 0.00 N ATOM 42 CA LYS A 4 -5.053 19.263 10.650 1.00 0.00 C ATOM 43 C LYS A 4 -5.463 19.739 9.262 1.00 0.00 C ATOM 44 O LYS A 4 -6.628 20.056 9.022 1.00 0.00 O ATOM 45 CB LYS A 4 -4.630 17.794 10.590 1.00 0.00 C ATOM 46 CG LYS A 4 -3.124 17.596 10.590 1.00 0.00 C ATOM 47 CD LYS A 4 -2.741 16.235 11.148 1.00 0.00 C ATOM 48 CE LYS A 4 -1.266 16.176 11.509 1.00 0.00 C ATOM 49 NZ LYS A 4 -0.766 14.775 11.580 1.00 0.00 N ATOM 0 H LYS A 4 -6.984 18.910 11.383 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.210 19.865 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.058 17.266 11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.048 17.340 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.743 17.694 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.653 18.379 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.342 16.021 12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.968 15.462 10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.689 16.730 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.108 16.667 12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.244 14.779 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.299 14.252 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.893 14.314 10.657 1.00 0.00 H new ATOM 63 N HIS A 5 -4.499 19.784 8.349 1.00 0.00 N ATOM 64 CA HIS A 5 -4.759 20.221 6.984 1.00 0.00 C ATOM 65 C HIS A 5 -4.564 19.073 5.999 1.00 0.00 C ATOM 66 O HIS A 5 -3.437 18.656 5.731 1.00 0.00 O ATOM 67 CB HIS A 5 -3.838 21.386 6.618 1.00 0.00 C ATOM 68 CG HIS A 5 -4.394 22.726 6.986 1.00 0.00 C ATOM 69 ND1 HIS A 5 -4.774 23.667 6.051 1.00 0.00 N ATOM 70 CD2 HIS A 5 -4.636 23.283 8.196 1.00 0.00 C ATOM 71 CE1 HIS A 5 -5.224 24.744 6.671 1.00 0.00 C ATOM 72 NE2 HIS A 5 -5.151 24.536 7.972 1.00 0.00 N ATOM 0 H HIS A 5 -3.530 19.523 8.531 1.00 0.00 H new ATOM 0 HA HIS A 5 -5.796 20.553 6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.878 21.250 7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -3.646 21.364 5.545 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.457 22.827 9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -5.589 25.641 6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.432 25.199 8.695 1.00 0.00 H new ATOM 81 N VAL A 6 -5.669 18.564 5.467 1.00 0.00 N ATOM 82 CA VAL A 6 -5.622 17.461 4.513 1.00 0.00 C ATOM 83 C VAL A 6 -6.430 17.783 3.261 1.00 0.00 C ATOM 84 O VAL A 6 -7.660 17.786 3.288 1.00 0.00 O ATOM 85 CB VAL A 6 -6.154 16.157 5.134 1.00 0.00 C ATOM 86 CG1 VAL A 6 -5.309 15.750 6.330 1.00 0.00 C ATOM 87 CG2 VAL A 6 -7.614 16.312 5.532 1.00 0.00 C ATOM 0 H VAL A 6 -6.609 18.897 5.680 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.576 17.323 4.241 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.087 15.367 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.701 14.826 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.278 15.594 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.341 16.538 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.973 15.380 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.709 17.116 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.208 16.551 4.650 1.00 0.00 H new ATOM 97 N SER A 7 -5.729 18.057 2.166 1.00 0.00 N ATOM 98 CA SER A 7 -6.381 18.385 0.904 1.00 0.00 C ATOM 99 C SER A 7 -7.437 17.344 0.546 1.00 0.00 C ATOM 100 O SER A 7 -8.521 17.684 0.075 1.00 0.00 O ATOM 101 CB SER A 7 -5.344 18.483 -0.218 1.00 0.00 C ATOM 102 OG SER A 7 -4.525 19.628 -0.055 1.00 0.00 O ATOM 0 H SER A 7 -4.710 18.058 2.127 1.00 0.00 H new ATOM 0 HA SER A 7 -6.875 19.349 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.724 17.586 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.850 18.528 -1.182 1.00 0.00 H new ATOM 0 HG SER A 7 -3.870 19.668 -0.783 1.00 0.00 H new ATOM 108 N HIS A 8 -7.108 16.074 0.766 1.00 0.00 N ATOM 109 CA HIS A 8 -8.031 14.981 0.472 1.00 0.00 C ATOM 110 C HIS A 8 -7.411 13.633 0.800 1.00 0.00 C ATOM 111 O HIS A 8 -8.089 12.713 1.257 1.00 0.00 O ATOM 112 CB HIS A 8 -8.451 15.015 -0.999 1.00 0.00 C ATOM 113 CG HIS A 8 -7.312 14.814 -1.949 1.00 0.00 C ATOM 114 ND1 HIS A 8 -6.400 15.804 -2.252 1.00 0.00 N ATOM 115 CD2 HIS A 8 -6.935 13.728 -2.664 1.00 0.00 C ATOM 116 CE1 HIS A 8 -5.514 15.336 -3.113 1.00 0.00 C ATOM 117 NE2 HIS A 8 -5.817 14.079 -3.378 1.00 0.00 N ATOM 0 H HIS A 8 -6.210 15.776 1.147 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.913 15.115 1.099 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.200 14.242 -1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.926 15.973 -1.211 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.409 16.750 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.423 12.765 -2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.684 15.888 -3.529 1.00 0.00 H new ATOM 126 N VAL A 9 -6.119 13.531 0.559 1.00 0.00 N ATOM 127 CA VAL A 9 -5.379 12.302 0.824 1.00 0.00 C ATOM 128 C VAL A 9 -5.185 12.092 2.318 1.00 0.00 C ATOM 129 O VAL A 9 -5.072 13.049 3.083 1.00 0.00 O ATOM 130 CB VAL A 9 -3.995 12.313 0.141 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.277 10.986 0.356 1.00 0.00 C ATOM 132 CG2 VAL A 9 -4.133 12.622 -1.341 1.00 0.00 C ATOM 0 H VAL A 9 -5.552 14.288 0.177 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.972 11.485 0.413 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.393 13.099 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.304 11.015 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.141 10.815 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.872 10.177 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.147 12.625 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.755 11.862 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.597 13.600 -1.467 1.00 0.00 H new ATOM 142 N GLY A 10 -5.145 10.831 2.722 1.00 0.00 N ATOM 143 CA GLY A 10 -4.941 10.505 4.116 1.00 0.00 C ATOM 144 C GLY A 10 -3.474 10.291 4.434 1.00 0.00 C ATOM 145 O GLY A 10 -3.012 10.612 5.530 1.00 0.00 O ATOM 0 H GLY A 10 -5.251 10.025 2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.335 11.308 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.502 9.604 4.365 1.00 0.00 H new ATOM 149 N TRP A 11 -2.736 9.771 3.455 1.00 0.00 N ATOM 150 CA TRP A 11 -1.307 9.534 3.607 1.00 0.00 C ATOM 151 C TRP A 11 -0.530 10.836 3.428 1.00 0.00 C ATOM 152 O TRP A 11 -0.805 11.618 2.518 1.00 0.00 O ATOM 153 CB TRP A 11 -0.841 8.469 2.597 1.00 0.00 C ATOM 154 CG TRP A 11 0.640 8.452 2.344 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.559 7.619 2.914 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.367 9.301 1.448 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.813 7.900 2.430 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.721 8.928 1.529 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.005 10.340 0.587 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.713 9.559 0.783 1.00 0.00 C ATOM 161 CZ3 TRP A 11 1.989 10.965 -0.154 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.330 10.573 -0.052 1.00 0.00 C ATOM 0 H TRP A 11 -3.110 9.505 2.544 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.113 9.163 4.613 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.146 7.487 2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.356 8.635 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.333 6.851 3.639 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.673 7.421 2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.026 10.649 0.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.748 9.259 0.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.720 11.769 -0.823 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.076 11.081 -0.644 1.00 0.00 H new ATOM 173 N ASP A 12 0.440 11.057 4.306 1.00 0.00 N ATOM 174 CA ASP A 12 1.258 12.264 4.253 1.00 0.00 C ATOM 175 C ASP A 12 2.737 11.914 4.102 1.00 0.00 C ATOM 176 O ASP A 12 3.241 11.028 4.791 1.00 0.00 O ATOM 177 CB ASP A 12 1.050 13.098 5.519 1.00 0.00 C ATOM 178 CG ASP A 12 0.909 14.578 5.220 1.00 0.00 C ATOM 179 OD1 ASP A 12 -0.057 14.954 4.524 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.766 15.361 5.683 1.00 0.00 O ATOM 0 H ASP A 12 0.680 10.417 5.063 1.00 0.00 H new ATOM 0 HA ASP A 12 0.949 12.845 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.158 12.749 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.892 12.945 6.194 1.00 0.00 H new ATOM 185 N PRO A 13 3.459 12.611 3.203 1.00 0.00 N ATOM 186 CA PRO A 13 4.889 12.368 2.986 1.00 0.00 C ATOM 187 C PRO A 13 5.718 12.672 4.232 1.00 0.00 C ATOM 188 O PRO A 13 6.454 13.658 4.275 1.00 0.00 O ATOM 189 CB PRO A 13 5.265 13.332 1.852 1.00 0.00 C ATOM 190 CG PRO A 13 3.971 13.752 1.241 1.00 0.00 C ATOM 191 CD PRO A 13 2.949 13.688 2.339 1.00 0.00 C ATOM 0 HA PRO A 13 5.086 11.323 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.816 14.191 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.906 12.843 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.042 14.761 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.698 13.094 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.873 14.634 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.956 13.460 1.953 1.00 0.00 H new ATOM 199 N GLN A 14 5.590 11.823 5.246 1.00 0.00 N ATOM 200 CA GLN A 14 6.322 12.009 6.494 1.00 0.00 C ATOM 201 C GLN A 14 6.111 10.826 7.431 1.00 0.00 C ATOM 202 O GLN A 14 6.988 9.973 7.579 1.00 0.00 O ATOM 203 CB GLN A 14 5.877 13.303 7.180 1.00 0.00 C ATOM 204 CG GLN A 14 6.991 14.325 7.333 1.00 0.00 C ATOM 205 CD GLN A 14 6.476 15.752 7.352 1.00 0.00 C ATOM 206 OE1 GLN A 14 5.890 16.199 8.337 1.00 0.00 O ATOM 207 NE2 GLN A 14 6.695 16.473 6.259 1.00 0.00 N ATOM 0 H GLN A 14 4.987 11.000 5.229 1.00 0.00 H new ATOM 0 HA GLN A 14 7.384 12.076 6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.064 13.748 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.478 13.063 8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.536 14.127 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.700 14.210 6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.186 16.060 5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.373 17.440 6.213 1.00 0.00 H new ATOM 216 N ASN A 15 4.945 10.779 8.067 1.00 0.00 N ATOM 217 CA ASN A 15 4.622 9.701 8.993 1.00 0.00 C ATOM 218 C ASN A 15 4.493 8.372 8.258 1.00 0.00 C ATOM 219 O ASN A 15 5.077 7.367 8.664 1.00 0.00 O ATOM 220 CB ASN A 15 3.323 10.013 9.739 1.00 0.00 C ATOM 221 CG ASN A 15 3.445 11.237 10.626 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.547 11.661 10.970 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.308 11.811 11.000 1.00 0.00 N ATOM 0 H ASN A 15 4.208 11.476 7.958 1.00 0.00 H new ATOM 0 HA ASN A 15 5.436 9.619 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.521 10.169 9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.041 9.154 10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.326 12.638 11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.416 11.425 10.691 1.00 0.00 H new ATOM 230 N GLY A 16 3.725 8.373 7.173 1.00 0.00 N ATOM 231 CA GLY A 16 3.537 7.161 6.397 1.00 0.00 C ATOM 232 C GLY A 16 2.106 6.661 6.436 1.00 0.00 C ATOM 233 O GLY A 16 1.188 7.351 5.993 1.00 0.00 O ATOM 0 H GLY A 16 3.230 9.191 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.825 7.348 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.200 6.384 6.777 1.00 0.00 H new ATOM 237 N PHE A 17 1.918 5.456 6.964 1.00 0.00 N ATOM 238 CA PHE A 17 0.590 4.862 7.054 1.00 0.00 C ATOM 239 C PHE A 17 -0.101 5.266 8.351 1.00 0.00 C ATOM 240 O PHE A 17 0.552 5.635 9.327 1.00 0.00 O ATOM 241 CB PHE A 17 0.685 3.336 6.980 1.00 0.00 C ATOM 242 CG PHE A 17 0.481 2.782 5.600 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.792 2.664 5.070 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.562 2.365 4.839 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.985 2.150 3.803 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.375 1.849 3.570 1.00 0.00 C ATOM 247 CZ PHE A 17 0.100 1.739 3.052 1.00 0.00 C ATOM 0 H PHE A 17 2.668 4.873 7.335 1.00 0.00 H new ATOM 0 HA PHE A 17 0.001 5.230 6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.663 3.024 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.058 2.902 7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.644 2.978 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.561 2.444 5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.983 2.069 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.225 1.532 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.049 1.333 2.062 1.00 0.00 H new ATOM 257 N ASP A 18 -1.426 5.179 8.357 1.00 0.00 N ATOM 258 CA ASP A 18 -2.208 5.514 9.538 1.00 0.00 C ATOM 259 C ASP A 18 -2.807 4.255 10.154 1.00 0.00 C ATOM 260 O ASP A 18 -3.955 4.251 10.596 1.00 0.00 O ATOM 261 CB ASP A 18 -3.321 6.501 9.175 1.00 0.00 C ATOM 262 CG ASP A 18 -3.216 7.802 9.947 1.00 0.00 C ATOM 263 OD1 ASP A 18 -2.078 8.248 10.205 1.00 0.00 O ATOM 264 OD2 ASP A 18 -4.271 8.374 10.292 1.00 0.00 O ATOM 0 H ASP A 18 -1.981 4.879 7.555 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.547 5.981 10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.281 6.712 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.289 6.041 9.373 1.00 0.00 H new ATOM 269 N VAL A 19 -2.020 3.181 10.169 1.00 0.00 N ATOM 270 CA VAL A 19 -2.470 1.902 10.712 1.00 0.00 C ATOM 271 C VAL A 19 -3.179 2.084 12.052 1.00 0.00 C ATOM 272 O VAL A 19 -4.074 1.314 12.400 1.00 0.00 O ATOM 273 CB VAL A 19 -1.296 0.920 10.890 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.337 1.418 11.962 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.808 -0.472 11.228 1.00 0.00 C ATOM 0 H VAL A 19 -1.065 3.172 9.810 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.173 1.487 9.990 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.752 0.863 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.485 0.710 12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.059 2.391 11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.867 1.509 12.910 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.964 -1.151 11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.380 -0.434 12.155 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.448 -0.830 10.422 1.00 0.00 H new ATOM 285 N ASN A 20 -2.783 3.113 12.794 1.00 0.00 N ATOM 286 CA ASN A 20 -3.400 3.401 14.083 1.00 0.00 C ATOM 287 C ASN A 20 -4.909 3.541 13.921 1.00 0.00 C ATOM 288 O ASN A 20 -5.684 2.941 14.663 1.00 0.00 O ATOM 289 CB ASN A 20 -2.816 4.681 14.682 1.00 0.00 C ATOM 290 CG ASN A 20 -1.517 4.431 15.423 1.00 0.00 C ATOM 291 OD1 ASN A 20 -1.396 3.469 16.182 1.00 0.00 O ATOM 292 ND2 ASN A 20 -0.536 5.298 15.205 1.00 0.00 N ATOM 0 H ASN A 20 -2.040 3.759 12.526 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.191 2.573 14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.644 5.406 13.886 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.541 5.124 15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.362 5.181 15.675 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.680 6.081 14.568 1.00 0.00 H new ATOM 299 N ASN A 21 -5.313 4.326 12.928 1.00 0.00 N ATOM 300 CA ASN A 21 -6.726 4.521 12.633 1.00 0.00 C ATOM 301 C ASN A 21 -7.073 3.903 11.282 1.00 0.00 C ATOM 302 O ASN A 21 -7.997 4.348 10.600 1.00 0.00 O ATOM 303 CB ASN A 21 -7.070 6.013 12.633 1.00 0.00 C ATOM 304 CG ASN A 21 -8.483 6.280 13.114 1.00 0.00 C ATOM 305 OD1 ASN A 21 -8.740 6.350 14.316 1.00 0.00 O ATOM 306 ND2 ASN A 21 -9.410 6.430 12.174 1.00 0.00 N ATOM 0 H ASN A 21 -4.680 4.838 12.313 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.313 4.027 13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.365 6.546 13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.951 6.411 11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.379 6.611 12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.153 6.364 11.189 1.00 0.00 H new ATOM 313 N LEU A 22 -6.315 2.879 10.901 1.00 0.00 N ATOM 314 CA LEU A 22 -6.522 2.195 9.631 1.00 0.00 C ATOM 315 C LEU A 22 -7.973 1.747 9.479 1.00 0.00 C ATOM 316 O LEU A 22 -8.575 1.230 10.420 1.00 0.00 O ATOM 317 CB LEU A 22 -5.587 0.987 9.529 1.00 0.00 C ATOM 318 CG LEU A 22 -4.717 0.942 8.266 1.00 0.00 C ATOM 319 CD1 LEU A 22 -4.077 2.296 7.988 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.666 -0.158 8.364 1.00 0.00 C ATOM 0 H LEU A 22 -5.548 2.504 11.458 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.296 2.895 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.934 0.978 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.187 0.078 9.571 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.366 0.707 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.467 2.232 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.856 3.045 7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.449 2.582 8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.064 -0.168 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.023 0.029 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.159 -1.123 8.482 1.00 0.00 H new ATOM 332 N ASP A 23 -8.527 1.948 8.288 1.00 0.00 N ATOM 333 CA ASP A 23 -9.907 1.568 8.010 1.00 0.00 C ATOM 334 C ASP A 23 -10.049 0.050 7.927 1.00 0.00 C ATOM 335 O ASP A 23 -9.168 -0.637 7.410 1.00 0.00 O ATOM 336 CB ASP A 23 -10.378 2.210 6.704 1.00 0.00 C ATOM 337 CG ASP A 23 -11.836 1.918 6.406 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.176 0.735 6.201 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.639 2.876 6.378 1.00 0.00 O ATOM 0 H ASP A 23 -8.040 2.373 7.499 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.530 1.926 8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.231 3.289 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.762 1.846 5.881 1.00 0.00 H new ATOM 344 N PRO A 24 -11.166 -0.495 8.440 1.00 0.00 N ATOM 345 CA PRO A 24 -11.419 -1.940 8.419 1.00 0.00 C ATOM 346 C PRO A 24 -11.278 -2.529 7.021 1.00 0.00 C ATOM 347 O PRO A 24 -10.606 -3.542 6.827 1.00 0.00 O ATOM 348 CB PRO A 24 -12.867 -2.055 8.902 1.00 0.00 C ATOM 349 CG PRO A 24 -13.095 -0.829 9.716 1.00 0.00 C ATOM 350 CD PRO A 24 -12.268 0.251 9.076 1.00 0.00 C ATOM 0 HA PRO A 24 -10.706 -2.488 9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.561 -2.107 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.016 -2.957 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.151 -0.558 9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.796 -0.987 10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.844 0.818 8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.898 0.964 9.813 1.00 0.00 H new ATOM 358 N ASP A 25 -11.915 -1.885 6.049 1.00 0.00 N ATOM 359 CA ASP A 25 -11.863 -2.341 4.666 1.00 0.00 C ATOM 360 C ASP A 25 -10.424 -2.403 4.164 1.00 0.00 C ATOM 361 O ASP A 25 -9.951 -3.454 3.732 1.00 0.00 O ATOM 362 CB ASP A 25 -12.686 -1.412 3.773 1.00 0.00 C ATOM 363 CG ASP A 25 -13.866 -2.117 3.135 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.658 -2.834 2.134 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.998 -1.954 3.637 1.00 0.00 O ATOM 0 H ASP A 25 -12.474 -1.044 6.194 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.285 -3.345 4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.046 -0.570 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.046 -1.003 2.992 1.00 0.00 H new ATOM 370 N LEU A 26 -9.733 -1.269 4.221 1.00 0.00 N ATOM 371 CA LEU A 26 -8.349 -1.195 3.770 1.00 0.00 C ATOM 372 C LEU A 26 -7.455 -2.108 4.604 1.00 0.00 C ATOM 373 O LEU A 26 -6.429 -2.592 4.126 1.00 0.00 O ATOM 374 CB LEU A 26 -7.842 0.246 3.844 1.00 0.00 C ATOM 375 CG LEU A 26 -6.738 0.596 2.846 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.512 -0.274 3.080 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.243 0.440 1.420 1.00 0.00 C ATOM 0 H LEU A 26 -10.109 -0.389 4.575 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.312 -1.531 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.683 0.920 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.472 0.434 4.852 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.452 1.637 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.737 -0.011 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.139 -0.112 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.781 -1.323 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.445 0.693 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.556 -0.591 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.091 1.106 1.259 1.00 0.00 H new ATOM 389 N ARG A 27 -7.853 -2.342 5.851 1.00 0.00 N ATOM 390 CA ARG A 27 -7.091 -3.206 6.745 1.00 0.00 C ATOM 391 C ARG A 27 -7.078 -4.639 6.225 1.00 0.00 C ATOM 392 O ARG A 27 -6.112 -5.376 6.422 1.00 0.00 O ATOM 393 CB ARG A 27 -7.683 -3.172 8.153 1.00 0.00 C ATOM 394 CG ARG A 27 -6.948 -2.234 9.096 1.00 0.00 C ATOM 395 CD ARG A 27 -6.869 -2.803 10.504 1.00 0.00 C ATOM 396 NE ARG A 27 -5.612 -3.507 10.741 1.00 0.00 N ATOM 397 CZ ARG A 27 -5.445 -4.418 11.695 1.00 0.00 C ATOM 398 NH1 ARG A 27 -6.453 -4.732 12.499 1.00 0.00 N ATOM 399 NH2 ARG A 27 -4.271 -5.015 11.848 1.00 0.00 N ATOM 0 H ARG A 27 -8.697 -1.946 6.264 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.066 -2.836 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.728 -2.868 8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.668 -4.179 8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.941 -2.054 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.456 -1.270 9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.974 -1.995 11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.703 -3.486 10.666 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.817 -3.288 10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.357 -4.274 12.386 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.323 -5.431 13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.493 -4.776 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.146 -5.713 12.581 1.00 0.00 H new ATOM 413 N SER A 28 -8.163 -5.027 5.561 1.00 0.00 N ATOM 414 CA SER A 28 -8.284 -6.371 5.010 1.00 0.00 C ATOM 415 C SER A 28 -7.548 -6.482 3.680 1.00 0.00 C ATOM 416 O SER A 28 -7.026 -7.542 3.335 1.00 0.00 O ATOM 417 CB SER A 28 -9.759 -6.735 4.821 1.00 0.00 C ATOM 418 OG SER A 28 -10.295 -6.111 3.667 1.00 0.00 O ATOM 0 H SER A 28 -8.971 -4.428 5.392 1.00 0.00 H new ATOM 0 HA SER A 28 -7.831 -7.068 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.861 -7.817 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.327 -6.431 5.700 1.00 0.00 H new ATOM 0 HG SER A 28 -9.978 -5.185 3.619 1.00 0.00 H new ATOM 424 N LEU A 29 -7.512 -5.382 2.934 1.00 0.00 N ATOM 425 CA LEU A 29 -6.832 -5.359 1.644 1.00 0.00 C ATOM 426 C LEU A 29 -5.361 -5.739 1.800 1.00 0.00 C ATOM 427 O LEU A 29 -4.725 -6.198 0.851 1.00 0.00 O ATOM 428 CB LEU A 29 -6.954 -3.974 1.000 1.00 0.00 C ATOM 429 CG LEU A 29 -7.235 -3.985 -0.504 1.00 0.00 C ATOM 430 CD1 LEU A 29 -8.485 -4.796 -0.805 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.380 -2.566 -1.030 1.00 0.00 C ATOM 0 H LEU A 29 -7.945 -4.497 3.200 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.310 -6.092 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.753 -3.426 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.030 -3.424 1.178 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.390 -4.453 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.670 -4.794 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.344 -5.821 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.338 -4.355 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.579 -2.594 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.206 -2.071 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.458 -2.014 -0.847 1.00 0.00 H new ATOM 443 N PHE A 30 -4.830 -5.557 3.008 1.00 0.00 N ATOM 444 CA PHE A 30 -3.438 -5.892 3.291 1.00 0.00 C ATOM 445 C PHE A 30 -3.294 -7.368 3.643 1.00 0.00 C ATOM 446 O PHE A 30 -2.634 -8.125 2.930 1.00 0.00 O ATOM 447 CB PHE A 30 -2.910 -5.038 4.444 1.00 0.00 C ATOM 448 CG PHE A 30 -2.690 -3.599 4.079 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.993 -3.259 2.931 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.176 -2.585 4.889 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.788 -1.935 2.595 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.974 -1.259 4.558 1.00 0.00 C ATOM 453 CZ PHE A 30 -2.279 -0.934 3.410 1.00 0.00 C ATOM 0 H PHE A 30 -5.343 -5.180 3.805 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.855 -5.687 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.614 -5.089 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.970 -5.462 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.605 -4.038 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.719 -2.834 5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.245 -1.683 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.359 -0.478 5.196 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.120 0.102 3.150 1.00 0.00 H new ATOM 463 N SER A 31 -3.911 -7.770 4.750 1.00 0.00 N ATOM 464 CA SER A 31 -3.853 -9.158 5.197 1.00 0.00 C ATOM 465 C SER A 31 -4.209 -10.107 4.059 1.00 0.00 C ATOM 466 O SER A 31 -3.784 -11.263 4.045 1.00 0.00 O ATOM 467 CB SER A 31 -4.801 -9.377 6.377 1.00 0.00 C ATOM 468 OG SER A 31 -6.152 -9.405 5.950 1.00 0.00 O ATOM 0 H SER A 31 -4.457 -7.155 5.354 1.00 0.00 H new ATOM 0 HA SER A 31 -2.833 -9.369 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.555 -10.314 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.665 -8.581 7.109 1.00 0.00 H new ATOM 0 HG SER A 31 -6.737 -9.548 6.723 1.00 0.00 H new ATOM 474 N ARG A 32 -4.985 -9.609 3.102 1.00 0.00 N ATOM 475 CA ARG A 32 -5.391 -10.409 1.954 1.00 0.00 C ATOM 476 C ARG A 32 -4.322 -10.379 0.867 1.00 0.00 C ATOM 477 O ARG A 32 -4.201 -11.312 0.074 1.00 0.00 O ATOM 478 CB ARG A 32 -6.721 -9.895 1.398 1.00 0.00 C ATOM 479 CG ARG A 32 -7.930 -10.367 2.189 1.00 0.00 C ATOM 480 CD ARG A 32 -9.200 -9.655 1.750 1.00 0.00 C ATOM 481 NE ARG A 32 -10.400 -10.404 2.111 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.602 -10.160 1.602 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.765 -9.190 0.712 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.645 -10.886 1.982 1.00 0.00 N ATOM 0 H ARG A 32 -5.345 -8.655 3.099 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.517 -11.441 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.705 -8.805 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.824 -10.221 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.052 -11.442 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.762 -10.190 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.238 -8.667 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.177 -9.505 0.671 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.310 -11.157 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.966 -8.629 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.690 -9.005 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.524 -11.633 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.568 -10.697 1.590 1.00 0.00 H new ATOM 498 N ALA A 33 -3.541 -9.302 0.842 1.00 0.00 N ATOM 499 CA ALA A 33 -2.474 -9.155 -0.141 1.00 0.00 C ATOM 500 C ALA A 33 -1.157 -9.721 0.387 1.00 0.00 C ATOM 501 O ALA A 33 -0.268 -10.075 -0.387 1.00 0.00 O ATOM 502 CB ALA A 33 -2.307 -7.693 -0.531 1.00 0.00 C ATOM 0 H ALA A 33 -3.628 -8.520 1.491 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.753 -9.723 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.507 -7.601 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.238 -7.322 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.057 -7.107 0.353 1.00 0.00 H new ATOM 508 N GLY A 34 -1.039 -9.808 1.709 1.00 0.00 N ATOM 509 CA GLY A 34 0.169 -10.342 2.311 1.00 0.00 C ATOM 510 C GLY A 34 0.892 -9.327 3.175 1.00 0.00 C ATOM 511 O GLY A 34 1.663 -9.695 4.062 1.00 0.00 O ATOM 0 H GLY A 34 -1.757 -9.519 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.086 -11.212 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.840 -10.687 1.524 1.00 0.00 H new ATOM 515 N ILE A 35 0.645 -8.047 2.917 1.00 0.00 N ATOM 516 CA ILE A 35 1.283 -6.978 3.677 1.00 0.00 C ATOM 517 C ILE A 35 0.819 -6.983 5.131 1.00 0.00 C ATOM 518 O ILE A 35 -0.292 -7.413 5.438 1.00 0.00 O ATOM 519 CB ILE A 35 0.991 -5.597 3.064 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.291 -5.606 1.563 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.809 -4.524 3.765 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.046 -4.273 0.890 1.00 0.00 C ATOM 0 H ILE A 35 0.008 -7.725 2.188 1.00 0.00 H new ATOM 0 HA ILE A 35 2.356 -7.164 3.639 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.066 -5.371 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.331 -5.895 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.675 -6.366 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.592 -3.553 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.552 -4.504 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.871 -4.745 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.279 -4.353 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.000 -3.991 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.682 -3.513 1.345 1.00 0.00 H new ATOM 534 N SER A 36 1.679 -6.498 6.021 1.00 0.00 N ATOM 535 CA SER A 36 1.359 -6.442 7.442 1.00 0.00 C ATOM 536 C SER A 36 1.697 -5.072 8.021 1.00 0.00 C ATOM 537 O SER A 36 2.168 -4.185 7.309 1.00 0.00 O ATOM 538 CB SER A 36 2.118 -7.531 8.203 1.00 0.00 C ATOM 539 OG SER A 36 1.250 -8.263 9.050 1.00 0.00 O ATOM 0 H SER A 36 2.603 -6.138 5.783 1.00 0.00 H new ATOM 0 HA SER A 36 0.288 -6.611 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.596 -8.208 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.912 -7.078 8.796 1.00 0.00 H new ATOM 0 HG SER A 36 1.760 -8.953 9.523 1.00 0.00 H new ATOM 545 N GLU A 37 1.453 -4.904 9.317 1.00 0.00 N ATOM 546 CA GLU A 37 1.729 -3.640 9.988 1.00 0.00 C ATOM 547 C GLU A 37 3.188 -3.232 9.805 1.00 0.00 C ATOM 548 O GLU A 37 3.503 -2.048 9.695 1.00 0.00 O ATOM 549 CB GLU A 37 1.402 -3.748 11.478 1.00 0.00 C ATOM 550 CG GLU A 37 0.449 -2.671 11.971 1.00 0.00 C ATOM 551 CD GLU A 37 0.038 -2.872 13.417 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.598 -3.775 14.073 1.00 0.00 O ATOM 553 OE2 GLU A 37 -0.846 -2.128 13.890 1.00 0.00 O ATOM 0 H GLU A 37 1.065 -5.627 9.923 1.00 0.00 H new ATOM 0 HA GLU A 37 1.097 -2.874 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.965 -4.727 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.328 -3.691 12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.923 -1.695 11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.441 -2.663 11.342 1.00 0.00 H new ATOM 560 N ALA A 38 4.074 -4.222 9.777 1.00 0.00 N ATOM 561 CA ALA A 38 5.500 -3.968 9.613 1.00 0.00 C ATOM 562 C ALA A 38 5.774 -3.156 8.350 1.00 0.00 C ATOM 563 O ALA A 38 6.643 -2.284 8.339 1.00 0.00 O ATOM 564 CB ALA A 38 6.268 -5.280 9.576 1.00 0.00 C ATOM 0 H ALA A 38 3.829 -5.208 9.866 1.00 0.00 H new ATOM 0 HA ALA A 38 5.840 -3.384 10.468 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.332 -5.076 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.108 -5.822 10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.916 -5.884 8.740 1.00 0.00 H new ATOM 570 N GLN A 39 5.031 -3.450 7.289 1.00 0.00 N ATOM 571 CA GLN A 39 5.197 -2.749 6.022 1.00 0.00 C ATOM 572 C GLN A 39 4.563 -1.364 6.077 1.00 0.00 C ATOM 573 O GLN A 39 5.069 -0.413 5.479 1.00 0.00 O ATOM 574 CB GLN A 39 4.574 -3.559 4.883 1.00 0.00 C ATOM 575 CG GLN A 39 5.506 -4.607 4.299 1.00 0.00 C ATOM 576 CD GLN A 39 5.116 -6.019 4.691 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.350 -6.225 5.632 1.00 0.00 O ATOM 578 NE2 GLN A 39 5.642 -7.000 3.967 1.00 0.00 N ATOM 0 H GLN A 39 4.308 -4.169 7.281 1.00 0.00 H new ATOM 0 HA GLN A 39 6.265 -2.633 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.673 -4.051 5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.266 -2.877 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.506 -4.523 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.524 -4.409 4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.273 -6.783 3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.415 -7.971 4.182 1.00 0.00 H new ATOM 587 N LEU A 40 3.448 -1.256 6.793 1.00 0.00 N ATOM 588 CA LEU A 40 2.739 0.011 6.918 1.00 0.00 C ATOM 589 C LEU A 40 3.508 0.984 7.807 1.00 0.00 C ATOM 590 O LEU A 40 3.662 2.158 7.469 1.00 0.00 O ATOM 591 CB LEU A 40 1.339 -0.224 7.487 1.00 0.00 C ATOM 592 CG LEU A 40 0.561 -1.370 6.836 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.737 -1.628 7.585 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.281 -1.059 5.373 1.00 0.00 C ATOM 0 H LEU A 40 3.016 -2.032 7.295 1.00 0.00 H new ATOM 0 HA LEU A 40 2.653 0.452 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.426 -0.424 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.761 0.694 7.381 1.00 0.00 H new ATOM 0 HG LEU A 40 1.170 -2.272 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.276 -2.446 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.514 -1.895 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.352 -0.729 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.273 -1.884 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.309 -0.145 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.224 -0.925 4.843 1.00 0.00 H new ATOM 606 N THR A 41 3.991 0.488 8.941 1.00 0.00 N ATOM 607 CA THR A 41 4.739 1.316 9.879 1.00 0.00 C ATOM 608 C THR A 41 5.990 1.895 9.225 1.00 0.00 C ATOM 609 O THR A 41 6.424 2.996 9.561 1.00 0.00 O ATOM 610 CB THR A 41 5.132 0.498 11.112 1.00 0.00 C ATOM 611 OG1 THR A 41 5.962 -0.590 10.746 1.00 0.00 O ATOM 612 CG2 THR A 41 3.944 -0.061 11.864 1.00 0.00 C ATOM 0 H THR A 41 3.878 -0.483 9.232 1.00 0.00 H new ATOM 0 HA THR A 41 4.096 2.141 10.184 1.00 0.00 H new ATOM 0 HB THR A 41 5.658 1.194 11.766 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.421 -1.282 10.311 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.294 -0.630 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.310 0.758 12.203 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.372 -0.715 11.206 1.00 0.00 H new ATOM 620 N ASP A 42 6.568 1.143 8.294 1.00 0.00 N ATOM 621 CA ASP A 42 7.771 1.583 7.596 1.00 0.00 C ATOM 622 C ASP A 42 7.490 2.830 6.766 1.00 0.00 C ATOM 623 O ASP A 42 6.950 2.745 5.662 1.00 0.00 O ATOM 624 CB ASP A 42 8.302 0.465 6.697 1.00 0.00 C ATOM 625 CG ASP A 42 9.021 -0.615 7.481 1.00 0.00 C ATOM 626 OD1 ASP A 42 8.616 -0.882 8.631 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.988 -1.195 6.943 1.00 0.00 O ATOM 0 H ASP A 42 6.224 0.227 8.006 1.00 0.00 H new ATOM 0 HA ASP A 42 8.527 1.828 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.473 0.020 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.983 0.889 5.959 1.00 0.00 H new ATOM 632 N ALA A 43 7.859 3.989 7.304 1.00 0.00 N ATOM 633 CA ALA A 43 7.642 5.258 6.617 1.00 0.00 C ATOM 634 C ALA A 43 8.101 5.187 5.165 1.00 0.00 C ATOM 635 O ALA A 43 7.580 5.897 4.305 1.00 0.00 O ATOM 636 CB ALA A 43 8.363 6.381 7.346 1.00 0.00 C ATOM 0 H ALA A 43 8.310 4.075 8.215 1.00 0.00 H new ATOM 0 HA ALA A 43 6.572 5.464 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.193 7.322 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.982 6.458 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.432 6.169 7.374 1.00 0.00 H new ATOM 642 N GLU A 44 9.078 4.326 4.898 1.00 0.00 N ATOM 643 CA GLU A 44 9.604 4.165 3.549 1.00 0.00 C ATOM 644 C GLU A 44 8.667 3.317 2.696 1.00 0.00 C ATOM 645 O GLU A 44 8.148 3.778 1.680 1.00 0.00 O ATOM 646 CB GLU A 44 10.994 3.526 3.594 1.00 0.00 C ATOM 647 CG GLU A 44 12.055 4.422 4.213 1.00 0.00 C ATOM 648 CD GLU A 44 13.439 3.805 4.169 1.00 0.00 C ATOM 649 OE1 GLU A 44 13.761 3.006 5.073 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.201 4.120 3.231 1.00 0.00 O ATOM 0 H GLU A 44 9.520 3.730 5.598 1.00 0.00 H new ATOM 0 HA GLU A 44 9.681 5.153 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.939 2.596 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.298 3.264 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.070 5.377 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.788 4.632 5.249 1.00 0.00 H new ATOM 657 N THR A 45 8.442 2.078 3.124 1.00 0.00 N ATOM 658 CA THR A 45 7.563 1.169 2.399 1.00 0.00 C ATOM 659 C THR A 45 6.199 1.807 2.163 1.00 0.00 C ATOM 660 O THR A 45 5.495 1.456 1.217 1.00 0.00 O ATOM 661 CB THR A 45 7.400 -0.142 3.171 1.00 0.00 C ATOM 662 OG1 THR A 45 8.541 -0.397 3.972 1.00 0.00 O ATOM 663 CG2 THR A 45 7.188 -1.345 2.277 1.00 0.00 C ATOM 0 H THR A 45 8.856 1.682 3.968 1.00 0.00 H new ATOM 0 HA THR A 45 8.018 0.957 1.431 1.00 0.00 H new ATOM 0 HB THR A 45 6.509 -0.006 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.417 -1.238 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.080 -2.240 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.286 -1.202 1.682 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.045 -1.461 1.614 1.00 0.00 H new ATOM 671 N SER A 46 5.823 2.747 3.023 1.00 0.00 N ATOM 672 CA SER A 46 4.553 3.439 2.856 1.00 0.00 C ATOM 673 C SER A 46 4.492 4.072 1.474 1.00 0.00 C ATOM 674 O SER A 46 3.458 4.044 0.809 1.00 0.00 O ATOM 675 CB SER A 46 4.367 4.505 3.933 1.00 0.00 C ATOM 676 OG SER A 46 5.050 4.157 5.124 1.00 0.00 O ATOM 0 H SER A 46 6.371 3.043 3.831 1.00 0.00 H new ATOM 0 HA SER A 46 3.746 2.713 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.735 5.463 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.305 4.631 4.144 1.00 0.00 H new ATOM 0 HG SER A 46 5.312 3.213 5.087 1.00 0.00 H new ATOM 682 N LYS A 47 5.626 4.613 1.036 1.00 0.00 N ATOM 683 CA LYS A 47 5.731 5.207 -0.290 1.00 0.00 C ATOM 684 C LYS A 47 5.757 4.115 -1.354 1.00 0.00 C ATOM 685 O LYS A 47 5.357 4.335 -2.497 1.00 0.00 O ATOM 686 CB LYS A 47 6.991 6.068 -0.391 1.00 0.00 C ATOM 687 CG LYS A 47 6.744 7.437 -1.004 1.00 0.00 C ATOM 688 CD LYS A 47 6.982 7.427 -2.506 1.00 0.00 C ATOM 689 CE LYS A 47 7.981 8.495 -2.918 1.00 0.00 C ATOM 690 NZ LYS A 47 9.358 8.178 -2.448 1.00 0.00 N ATOM 0 H LYS A 47 6.486 4.651 1.583 1.00 0.00 H new ATOM 0 HA LYS A 47 4.861 5.842 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.414 6.196 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.735 5.540 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.720 7.749 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.400 8.170 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.349 6.447 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.038 7.590 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.981 8.592 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.671 9.458 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.012 8.922 -2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.367 8.127 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.657 7.263 -2.842 1.00 0.00 H new ATOM 704 N LEU A 48 6.234 2.934 -0.965 1.00 0.00 N ATOM 705 CA LEU A 48 6.265 1.789 -1.865 1.00 0.00 C ATOM 706 C LEU A 48 4.846 1.302 -2.111 1.00 0.00 C ATOM 707 O LEU A 48 4.482 0.916 -3.221 1.00 0.00 O ATOM 708 CB LEU A 48 7.082 0.641 -1.256 1.00 0.00 C ATOM 709 CG LEU A 48 8.604 0.802 -1.273 1.00 0.00 C ATOM 710 CD1 LEU A 48 9.015 2.224 -0.924 1.00 0.00 C ATOM 711 CD2 LEU A 48 9.244 -0.195 -0.316 1.00 0.00 C ATOM 0 H LEU A 48 6.603 2.748 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 48 6.729 2.099 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.765 0.508 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.830 -0.277 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 48 8.957 0.598 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.102 2.304 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.586 2.915 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.652 2.473 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.327 -0.073 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.876 -0.017 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.988 -1.209 -0.622 1.00 0.00 H new ATOM 723 N ILE A 49 4.063 1.308 -1.040 1.00 0.00 N ATOM 724 CA ILE A 49 2.688 0.839 -1.073 1.00 0.00 C ATOM 725 C ILE A 49 1.711 1.951 -1.442 1.00 0.00 C ATOM 726 O ILE A 49 0.594 1.674 -1.878 1.00 0.00 O ATOM 727 CB ILE A 49 2.300 0.246 0.295 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.221 -0.925 0.632 1.00 0.00 C ATOM 729 CG2 ILE A 49 0.847 -0.202 0.312 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.656 -0.953 2.077 1.00 0.00 C ATOM 0 H ILE A 49 4.366 1.639 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 49 2.626 0.071 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 49 2.416 1.024 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.710 -1.858 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.105 -0.877 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.605 -0.616 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.201 0.652 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.692 -0.964 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.308 -1.811 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.196 -0.036 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.779 -1.033 2.719 1.00 0.00 H new ATOM 742 N TYR A 50 2.115 3.206 -1.260 1.00 0.00 N ATOM 743 CA TYR A 50 1.218 4.313 -1.561 1.00 0.00 C ATOM 744 C TYR A 50 0.895 4.348 -3.053 1.00 0.00 C ATOM 745 O TYR A 50 -0.166 4.825 -3.453 1.00 0.00 O ATOM 746 CB TYR A 50 1.774 5.666 -1.029 1.00 0.00 C ATOM 747 CG TYR A 50 1.853 6.798 -2.041 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.772 6.759 -3.081 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.012 7.905 -1.947 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.850 7.785 -4.003 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.087 8.934 -2.866 1.00 0.00 C ATOM 752 CZ TYR A 50 2.007 8.870 -3.891 1.00 0.00 C ATOM 753 OH TYR A 50 2.083 9.893 -4.808 1.00 0.00 O ATOM 0 H TYR A 50 3.036 3.476 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 50 0.279 4.150 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.149 5.991 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.773 5.493 -0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.437 5.913 -3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.291 7.959 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.568 7.737 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.428 9.785 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 50 1.297 9.867 -5.393 1.00 0.00 H new ATOM 763 N ASP A 51 1.784 3.794 -3.864 1.00 0.00 N ATOM 764 CA ASP A 51 1.531 3.697 -5.291 1.00 0.00 C ATOM 765 C ASP A 51 0.248 2.905 -5.541 1.00 0.00 C ATOM 766 O ASP A 51 -0.360 3.007 -6.607 1.00 0.00 O ATOM 767 CB ASP A 51 2.711 3.025 -5.997 1.00 0.00 C ATOM 768 CG ASP A 51 2.807 3.407 -7.461 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.764 3.760 -8.052 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.924 3.353 -8.017 1.00 0.00 O ATOM 0 H ASP A 51 2.678 3.409 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 51 1.412 4.702 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.637 3.300 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.612 1.943 -5.913 1.00 0.00 H new ATOM 775 N PHE A 52 -0.167 2.125 -4.539 1.00 0.00 N ATOM 776 CA PHE A 52 -1.363 1.300 -4.644 1.00 0.00 C ATOM 777 C PHE A 52 -2.615 2.054 -4.190 1.00 0.00 C ATOM 778 O PHE A 52 -3.579 2.172 -4.947 1.00 0.00 O ATOM 779 CB PHE A 52 -1.186 0.023 -3.819 1.00 0.00 C ATOM 780 CG PHE A 52 -2.378 -0.891 -3.858 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.652 -1.639 -4.990 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.218 -1.005 -2.762 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.745 -2.484 -5.031 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.314 -1.848 -2.798 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.578 -2.589 -3.933 1.00 0.00 C ATOM 0 H PHE A 52 0.314 2.051 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.500 1.040 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.313 -0.517 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.982 0.295 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.004 -1.561 -5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.015 -0.430 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.948 -3.062 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.963 -1.927 -1.939 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.433 -3.249 -3.963 1.00 0.00 H new ATOM 795 N ILE A 53 -2.618 2.541 -2.946 1.00 0.00 N ATOM 796 CA ILE A 53 -3.775 3.277 -2.428 1.00 0.00 C ATOM 797 C ILE A 53 -3.893 4.648 -3.090 1.00 0.00 C ATOM 798 O ILE A 53 -4.960 5.261 -3.077 1.00 0.00 O ATOM 799 CB ILE A 53 -3.800 3.402 -0.876 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.201 2.155 -0.224 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.229 3.602 -0.399 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.143 2.240 1.282 1.00 0.00 C ATOM 0 H ILE A 53 -1.845 2.442 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.648 2.680 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.199 4.264 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.792 1.284 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.194 1.998 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.241 3.689 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.636 4.512 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.836 2.749 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.708 1.324 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.529 3.091 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.151 2.366 1.678 1.00 0.00 H new ATOM 814 N GLU A 54 -2.798 5.119 -3.687 1.00 0.00 N ATOM 815 CA GLU A 54 -2.799 6.407 -4.373 1.00 0.00 C ATOM 816 C GLU A 54 -3.329 6.263 -5.797 1.00 0.00 C ATOM 817 O GLU A 54 -4.007 7.153 -6.311 1.00 0.00 O ATOM 818 CB GLU A 54 -1.389 7.003 -4.402 1.00 0.00 C ATOM 819 CG GLU A 54 -1.327 8.391 -5.021 1.00 0.00 C ATOM 820 CD GLU A 54 -0.442 8.442 -6.252 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.167 7.370 -6.830 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.024 9.555 -6.635 1.00 0.00 O ATOM 0 H GLU A 54 -1.904 4.629 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.456 7.079 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.003 7.051 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.733 6.336 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.334 8.711 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.954 9.099 -4.281 1.00 0.00 H new ATOM 829 N ASP A 55 -3.006 5.141 -6.432 1.00 0.00 N ATOM 830 CA ASP A 55 -3.434 4.882 -7.803 1.00 0.00 C ATOM 831 C ASP A 55 -4.788 4.180 -7.835 1.00 0.00 C ATOM 832 O ASP A 55 -5.598 4.415 -8.732 1.00 0.00 O ATOM 833 CB ASP A 55 -2.391 4.029 -8.528 1.00 0.00 C ATOM 834 CG ASP A 55 -2.759 3.771 -9.976 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.046 4.748 -10.699 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.757 2.591 -10.387 1.00 0.00 O ATOM 0 H ASP A 55 -2.448 4.394 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.534 5.841 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.424 4.529 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.280 3.077 -8.009 1.00 0.00 H new ATOM 841 N GLN A 56 -5.028 3.318 -6.854 1.00 0.00 N ATOM 842 CA GLN A 56 -6.283 2.576 -6.773 1.00 0.00 C ATOM 843 C GLN A 56 -7.485 3.518 -6.760 1.00 0.00 C ATOM 844 O GLN A 56 -8.608 3.108 -7.054 1.00 0.00 O ATOM 845 CB GLN A 56 -6.297 1.698 -5.521 1.00 0.00 C ATOM 846 CG GLN A 56 -5.666 0.329 -5.729 1.00 0.00 C ATOM 847 CD GLN A 56 -6.288 -0.431 -6.883 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.502 -0.396 -7.083 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.457 -1.127 -7.651 1.00 0.00 N ATOM 0 H GLN A 56 -4.370 3.115 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.356 1.944 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.768 2.214 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.328 1.567 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.598 0.449 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.769 -0.257 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.457 -1.129 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.819 -1.660 -8.442 1.00 0.00 H new ATOM 858 N GLY A 57 -7.246 4.781 -6.418 1.00 0.00 N ATOM 859 CA GLY A 57 -8.325 5.751 -6.361 1.00 0.00 C ATOM 860 C GLY A 57 -8.451 6.381 -4.991 1.00 0.00 C ATOM 861 O GLY A 57 -8.970 7.488 -4.851 1.00 0.00 O ATOM 0 H GLY A 57 -6.325 5.150 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.151 6.530 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.264 5.264 -6.624 1.00 0.00 H new ATOM 865 N GLY A 58 -7.969 5.670 -3.978 1.00 0.00 N ATOM 866 CA GLY A 58 -8.036 6.170 -2.621 1.00 0.00 C ATOM 867 C GLY A 58 -8.353 5.078 -1.622 1.00 0.00 C ATOM 868 O GLY A 58 -9.033 4.111 -1.949 1.00 0.00 O ATOM 0 H GLY A 58 -7.532 4.753 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.085 6.634 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.797 6.948 -2.560 1.00 0.00 H new ATOM 872 N LEU A 59 -7.850 5.229 -0.406 1.00 0.00 N ATOM 873 CA LEU A 59 -8.068 4.246 0.647 1.00 0.00 C ATOM 874 C LEU A 59 -9.553 4.127 0.983 1.00 0.00 C ATOM 875 O LEU A 59 -10.133 3.045 0.899 1.00 0.00 O ATOM 876 CB LEU A 59 -7.284 4.690 1.877 1.00 0.00 C ATOM 877 CG LEU A 59 -7.767 4.151 3.224 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.602 4.015 4.192 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.835 5.071 3.795 1.00 0.00 C ATOM 0 H LEU A 59 -7.284 6.029 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.728 3.266 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.244 4.394 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.302 5.779 1.919 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.200 3.162 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.964 3.630 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.865 3.327 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.141 4.991 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.175 4.682 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.419 6.069 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.677 5.123 3.105 1.00 0.00 H new ATOM 891 N GLU A 60 -10.167 5.254 1.323 1.00 0.00 N ATOM 892 CA GLU A 60 -11.596 5.286 1.592 1.00 0.00 C ATOM 893 C GLU A 60 -12.338 5.181 0.272 1.00 0.00 C ATOM 894 O GLU A 60 -13.406 4.577 0.178 1.00 0.00 O ATOM 895 CB GLU A 60 -11.981 6.577 2.317 1.00 0.00 C ATOM 896 CG GLU A 60 -11.542 7.836 1.590 1.00 0.00 C ATOM 897 CD GLU A 60 -12.312 9.064 2.034 1.00 0.00 C ATOM 898 OE1 GLU A 60 -11.896 9.699 3.027 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.333 9.389 1.392 1.00 0.00 O ATOM 0 H GLU A 60 -9.698 6.155 1.418 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.865 4.450 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.063 6.602 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.539 6.570 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.478 7.998 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.675 7.697 0.517 1.00 0.00 H new ATOM 906 N ALA A 61 -11.715 5.741 -0.756 1.00 0.00 N ATOM 907 CA ALA A 61 -12.225 5.676 -2.107 1.00 0.00 C ATOM 908 C ALA A 61 -12.297 4.221 -2.569 1.00 0.00 C ATOM 909 O ALA A 61 -13.128 3.861 -3.402 1.00 0.00 O ATOM 910 CB ALA A 61 -11.324 6.504 -3.009 1.00 0.00 C ATOM 0 H ALA A 61 -10.838 6.254 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.235 6.083 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.697 6.464 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.317 7.538 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.310 6.104 -2.977 1.00 0.00 H new ATOM 916 N VAL A 62 -11.441 3.383 -1.981 1.00 0.00 N ATOM 917 CA VAL A 62 -11.435 1.953 -2.269 1.00 0.00 C ATOM 918 C VAL A 62 -12.649 1.302 -1.607 1.00 0.00 C ATOM 919 O VAL A 62 -13.306 0.443 -2.196 1.00 0.00 O ATOM 920 CB VAL A 62 -10.116 1.288 -1.778 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.260 -0.220 -1.571 1.00 0.00 C ATOM 922 CG2 VAL A 62 -8.989 1.577 -2.759 1.00 0.00 C ATOM 0 H VAL A 62 -10.741 3.675 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.491 1.808 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.879 1.723 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.311 -0.633 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.030 -0.413 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.542 -0.691 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.071 1.108 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.248 1.177 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.840 2.654 -2.835 1.00 0.00 H new ATOM 932 N ARG A 63 -12.948 1.737 -0.386 1.00 0.00 N ATOM 933 CA ARG A 63 -14.102 1.229 0.340 1.00 0.00 C ATOM 934 C ARG A 63 -15.354 1.364 -0.514 1.00 0.00 C ATOM 935 O ARG A 63 -16.276 0.553 -0.424 1.00 0.00 O ATOM 936 CB ARG A 63 -14.283 1.991 1.656 1.00 0.00 C ATOM 937 CG ARG A 63 -14.058 1.137 2.893 1.00 0.00 C ATOM 938 CD ARG A 63 -14.425 1.888 4.163 1.00 0.00 C ATOM 939 NE ARG A 63 -15.839 1.739 4.498 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.453 2.453 5.438 1.00 0.00 C ATOM 941 NH1 ARG A 63 -15.779 3.360 6.131 1.00 0.00 N ATOM 942 NH2 ARG A 63 -17.742 2.259 5.686 1.00 0.00 N ATOM 0 H ARG A 63 -12.407 2.439 0.118 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.935 0.176 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.591 2.833 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.291 2.405 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.654 0.227 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.013 0.830 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.816 1.522 4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.191 2.945 4.039 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.386 1.049 3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.788 3.512 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.252 3.906 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.264 1.561 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.211 2.807 6.407 1.00 0.00 H new ATOM 956 N GLN A 64 -15.366 2.388 -1.364 1.00 0.00 N ATOM 957 CA GLN A 64 -16.493 2.625 -2.257 1.00 0.00 C ATOM 958 C GLN A 64 -16.554 1.558 -3.344 1.00 0.00 C ATOM 959 O GLN A 64 -17.634 1.127 -3.747 1.00 0.00 O ATOM 960 CB GLN A 64 -16.383 4.013 -2.892 1.00 0.00 C ATOM 961 CG GLN A 64 -17.107 5.099 -2.113 1.00 0.00 C ATOM 962 CD GLN A 64 -16.768 5.080 -0.635 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.460 4.449 0.164 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.699 5.775 -0.265 1.00 0.00 N ATOM 0 H GLN A 64 -14.608 3.065 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.410 2.574 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.330 4.281 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.786 3.973 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.849 6.073 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -18.183 4.974 -2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.155 6.283 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.422 5.801 0.716 1.00 0.00 H new ATOM 973 N GLU A 65 -15.384 1.129 -3.811 1.00 0.00 N ATOM 974 CA GLU A 65 -15.299 0.108 -4.849 1.00 0.00 C ATOM 975 C GLU A 65 -15.384 -1.290 -4.245 1.00 0.00 C ATOM 976 O GLU A 65 -16.109 -2.149 -4.746 1.00 0.00 O ATOM 977 CB GLU A 65 -13.996 0.261 -5.637 1.00 0.00 C ATOM 978 CG GLU A 65 -13.747 -0.863 -6.630 1.00 0.00 C ATOM 979 CD GLU A 65 -13.087 -0.377 -7.906 1.00 0.00 C ATOM 980 OE1 GLU A 65 -12.605 0.775 -7.925 1.00 0.00 O ATOM 981 OE2 GLU A 65 -13.053 -1.148 -8.888 1.00 0.00 O ATOM 0 H GLU A 65 -14.481 1.474 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.142 0.241 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.015 1.210 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.162 0.307 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.117 -1.621 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.694 -1.343 -6.875 1.00 0.00 H new ATOM 988 N MET A 66 -14.642 -1.510 -3.164 1.00 0.00 N ATOM 989 CA MET A 66 -14.638 -2.805 -2.493 1.00 0.00 C ATOM 990 C MET A 66 -16.061 -3.267 -2.199 1.00 0.00 C ATOM 991 O MET A 66 -16.341 -4.464 -2.164 1.00 0.00 O ATOM 992 CB MET A 66 -13.834 -2.729 -1.193 1.00 0.00 C ATOM 993 CG MET A 66 -12.477 -3.409 -1.275 1.00 0.00 C ATOM 994 SD MET A 66 -12.604 -5.176 -1.620 1.00 0.00 S ATOM 995 CE MET A 66 -11.896 -5.866 -0.127 1.00 0.00 C ATOM 0 H MET A 66 -14.037 -0.810 -2.735 1.00 0.00 H new ATOM 0 HA MET A 66 -14.169 -3.530 -3.158 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.691 -1.682 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.413 -3.187 -0.391 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.883 -2.932 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.945 -3.264 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.892 -6.234 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.846 -5.095 0.642 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.518 -6.689 0.224 1.00 0.00 H new ATOM 1005 N ARG A 67 -16.958 -2.308 -1.994 1.00 0.00 N ATOM 1006 CA ARG A 67 -18.354 -2.615 -1.707 1.00 0.00 C ATOM 1007 C ARG A 67 -19.026 -3.263 -2.913 1.00 0.00 C ATOM 1008 O ARG A 67 -19.715 -4.274 -2.784 1.00 0.00 O ATOM 1009 CB ARG A 67 -19.108 -1.343 -1.311 1.00 0.00 C ATOM 1010 CG ARG A 67 -19.759 -1.423 0.060 1.00 0.00 C ATOM 1011 CD ARG A 67 -21.091 -0.693 0.089 1.00 0.00 C ATOM 1012 NE ARG A 67 -21.036 0.515 0.907 1.00 0.00 N ATOM 1013 CZ ARG A 67 -21.898 1.520 0.796 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -22.879 1.461 -0.094 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -21.779 2.586 1.578 1.00 0.00 N ATOM 0 H ARG A 67 -16.743 -1.311 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.382 -3.319 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.416 -0.501 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.876 -1.139 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.910 -2.468 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.091 -0.993 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.382 -0.429 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.861 -1.359 0.478 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.294 0.592 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -22.973 0.643 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.539 2.234 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.026 2.634 2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.441 3.357 1.493 1.00 0.00 H new ATOM 1029 N ARG A 68 -18.817 -2.674 -4.087 1.00 0.00 N ATOM 1030 CA ARG A 68 -19.401 -3.195 -5.318 1.00 0.00 C ATOM 1031 C ARG A 68 -18.871 -4.593 -5.620 1.00 0.00 C ATOM 1032 O ARG A 68 -19.599 -5.448 -6.124 1.00 0.00 O ATOM 1033 CB ARG A 68 -19.095 -2.258 -6.488 1.00 0.00 C ATOM 1034 CG ARG A 68 -19.830 -0.929 -6.409 1.00 0.00 C ATOM 1035 CD ARG A 68 -20.512 -0.590 -7.725 1.00 0.00 C ATOM 1036 NE ARG A 68 -21.867 -0.087 -7.525 1.00 0.00 N ATOM 1037 CZ ARG A 68 -22.139 1.118 -7.036 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -21.153 1.938 -6.698 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -23.399 1.504 -6.884 1.00 0.00 N ATOM 0 H ARG A 68 -18.248 -1.837 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.481 -3.255 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.022 -2.069 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.360 -2.756 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.573 -0.970 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.127 -0.138 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.923 0.157 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.545 -1.478 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.648 -0.694 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.183 1.644 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -21.365 2.863 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.160 0.876 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.607 2.429 -6.509 1.00 0.00 H new ATOM 1053 N GLN A 69 -17.598 -4.816 -5.307 1.00 0.00 N ATOM 1054 CA GLN A 69 -16.969 -6.110 -5.542 1.00 0.00 C ATOM 1055 C GLN A 69 -17.036 -6.490 -7.017 1.00 0.00 C ATOM 1056 O GLN A 69 -17.464 -5.697 -7.854 1.00 0.00 O ATOM 1057 CB GLN A 69 -17.647 -7.188 -4.694 1.00 0.00 C ATOM 1058 CG GLN A 69 -16.675 -8.187 -4.089 1.00 0.00 C ATOM 1059 CD GLN A 69 -16.371 -7.897 -2.632 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -16.930 -8.526 -1.733 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -15.481 -6.942 -2.392 1.00 0.00 N ATOM 0 H GLN A 69 -16.983 -4.117 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 69 -15.920 -6.034 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.208 -6.708 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -18.368 -7.724 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.090 -9.191 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.746 -8.175 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.043 -6.447 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.235 -6.703 -1.431 1.00 0.00 H new ATOM 1070 N GLY A 70 -16.609 -7.710 -7.326 1.00 0.00 N ATOM 1071 CA GLY A 70 -16.630 -8.175 -8.700 1.00 0.00 C ATOM 1072 C GLY A 70 -17.741 -9.174 -8.956 1.00 0.00 C ATOM 1073 O GLY A 70 -17.996 -10.053 -8.133 1.00 0.00 O ATOM 0 H GLY A 70 -16.249 -8.384 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.752 -7.322 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.671 -8.633 -8.940 1.00 0.00 H new ATOM 1077 N GLY A 71 -18.404 -9.040 -10.099 1.00 0.00 N ATOM 1078 CA GLY A 71 -19.486 -9.945 -10.438 1.00 0.00 C ATOM 1079 C GLY A 71 -19.765 -9.986 -11.928 1.00 0.00 C ATOM 1080 O GLY A 71 -19.367 -10.928 -12.614 1.00 0.00 O ATOM 0 H GLY A 71 -18.212 -8.321 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.238 -10.948 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.390 -9.639 -9.911 1.00 0.00 H new ATOM 1084 N SER A 72 -20.452 -8.964 -12.428 1.00 0.00 N ATOM 1085 CA SER A 72 -20.787 -8.890 -13.846 1.00 0.00 C ATOM 1086 C SER A 72 -19.541 -9.045 -14.713 1.00 0.00 C ATOM 1087 O SER A 72 -18.610 -8.244 -14.628 1.00 0.00 O ATOM 1088 CB SER A 72 -21.474 -7.559 -14.158 1.00 0.00 C ATOM 1089 OG SER A 72 -22.061 -7.578 -15.448 1.00 0.00 O ATOM 0 H SER A 72 -20.787 -8.176 -11.873 1.00 0.00 H new ATOM 0 HA SER A 72 -21.469 -9.709 -14.074 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.240 -7.357 -13.409 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.748 -6.748 -14.097 1.00 0.00 H new ATOM 0 HG SER A 72 -22.495 -6.717 -15.623 1.00 0.00 H new ATOM 1095 N GLY A 73 -19.535 -10.078 -15.549 1.00 0.00 N ATOM 1096 CA GLY A 73 -18.401 -10.318 -16.422 1.00 0.00 C ATOM 1097 C GLY A 73 -17.624 -11.562 -16.038 1.00 0.00 C ATOM 1098 O GLY A 73 -17.895 -12.652 -16.544 1.00 0.00 O ATOM 0 H GLY A 73 -20.295 -10.753 -15.638 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.752 -10.416 -17.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.736 -9.455 -16.393 1.00 0.00 H new ATOM 1102 N GLY A 74 -16.658 -11.400 -15.140 1.00 0.00 N ATOM 1103 CA GLY A 74 -15.854 -12.527 -14.704 1.00 0.00 C ATOM 1104 C GLY A 74 -15.064 -12.222 -13.447 1.00 0.00 C ATOM 1105 O GLY A 74 -14.229 -11.317 -13.434 1.00 0.00 O ATOM 0 H GLY A 74 -16.417 -10.509 -14.706 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.503 -13.384 -14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.167 -12.810 -15.502 1.00 0.00 H new ATOM 1109 N SER A 75 -15.328 -12.978 -12.386 1.00 0.00 N ATOM 1110 CA SER A 75 -14.635 -12.784 -11.118 1.00 0.00 C ATOM 1111 C SER A 75 -13.518 -13.806 -10.945 1.00 0.00 C ATOM 1112 O SER A 75 -13.625 -14.728 -10.136 1.00 0.00 O ATOM 1113 CB SER A 75 -15.623 -12.890 -9.955 1.00 0.00 C ATOM 1114 OG SER A 75 -16.310 -14.129 -9.980 1.00 0.00 O ATOM 0 H SER A 75 -16.017 -13.730 -12.379 1.00 0.00 H new ATOM 0 HA SER A 75 -14.192 -11.788 -11.123 1.00 0.00 H new ATOM 0 HB2 SER A 75 -15.090 -12.785 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 75 -16.341 -12.072 -10.008 1.00 0.00 H new ATOM 0 HG SER A 75 -15.661 -14.862 -10.031 1.00 0.00 H new ATOM 1120 N GLN A 76 -12.445 -13.639 -11.711 1.00 0.00 N ATOM 1121 CA GLN A 76 -11.308 -14.550 -11.642 1.00 0.00 C ATOM 1122 C GLN A 76 -10.620 -14.460 -10.284 1.00 0.00 C ATOM 1123 O GLN A 76 -9.947 -13.476 -9.982 1.00 0.00 O ATOM 1124 CB GLN A 76 -10.307 -14.237 -12.755 1.00 0.00 C ATOM 1125 CG GLN A 76 -10.937 -14.167 -14.136 1.00 0.00 C ATOM 1126 CD GLN A 76 -10.687 -12.841 -14.824 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -9.563 -12.338 -14.841 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -11.737 -12.266 -15.397 1.00 0.00 N ATOM 0 H GLN A 76 -12.339 -12.882 -12.386 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.681 -15.566 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.820 -13.286 -12.538 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.529 -15.000 -12.758 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.540 -14.973 -14.753 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.011 -14.331 -14.050 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.650 -12.718 -15.359 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.631 -11.372 -15.876 1.00 0.00 H new ATOM 1137 N SER A 77 -10.795 -15.495 -9.469 1.00 0.00 N ATOM 1138 CA SER A 77 -10.192 -15.534 -8.143 1.00 0.00 C ATOM 1139 C SER A 77 -10.804 -14.471 -7.237 1.00 0.00 C ATOM 1140 O SER A 77 -11.179 -13.391 -7.696 1.00 0.00 O ATOM 1141 CB SER A 77 -8.678 -15.331 -8.243 1.00 0.00 C ATOM 1142 OG SER A 77 -8.168 -15.883 -9.444 1.00 0.00 O ATOM 0 H SER A 77 -11.350 -16.318 -9.704 1.00 0.00 H new ATOM 0 HA SER A 77 -10.391 -16.513 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.447 -14.267 -8.201 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.188 -15.797 -7.388 1.00 0.00 H new ATOM 0 HG SER A 77 -7.200 -15.739 -9.485 1.00 0.00 H new ATOM 1148 N SER A 78 -10.908 -14.785 -5.950 1.00 0.00 N ATOM 1149 CA SER A 78 -11.481 -13.860 -4.981 1.00 0.00 C ATOM 1150 C SER A 78 -10.596 -12.633 -4.803 1.00 0.00 C ATOM 1151 O SER A 78 -11.076 -11.499 -4.830 1.00 0.00 O ATOM 1152 CB SER A 78 -11.677 -14.559 -3.635 1.00 0.00 C ATOM 1153 OG SER A 78 -10.667 -15.527 -3.410 1.00 0.00 O ATOM 0 H SER A 78 -10.602 -15.674 -5.554 1.00 0.00 H new ATOM 0 HA SER A 78 -12.449 -13.532 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.662 -13.821 -2.833 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.656 -15.038 -3.610 1.00 0.00 H new ATOM 0 HG SER A 78 -10.814 -15.958 -2.542 1.00 0.00 H new ATOM 1159 N GLU A 79 -9.301 -12.864 -4.616 1.00 0.00 N ATOM 1160 CA GLU A 79 -8.351 -11.776 -4.425 1.00 0.00 C ATOM 1161 C GLU A 79 -8.103 -11.027 -5.730 1.00 0.00 C ATOM 1162 O GLU A 79 -7.205 -11.375 -6.497 1.00 0.00 O ATOM 1163 CB GLU A 79 -7.029 -12.314 -3.874 1.00 0.00 C ATOM 1164 CG GLU A 79 -6.488 -13.508 -4.644 1.00 0.00 C ATOM 1165 CD GLU A 79 -6.268 -14.720 -3.761 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -5.941 -14.535 -2.571 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -6.422 -15.855 -4.261 1.00 0.00 O ATOM 0 H GLU A 79 -8.886 -13.795 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.781 -11.079 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.287 -11.516 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.169 -12.598 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.184 -13.766 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.546 -13.233 -5.119 1.00 0.00 H new ATOM 1174 N GLY A 80 -8.904 -9.995 -5.973 1.00 0.00 N ATOM 1175 CA GLY A 80 -8.746 -9.198 -7.175 1.00 0.00 C ATOM 1176 C GLY A 80 -8.065 -7.875 -6.892 1.00 0.00 C ATOM 1177 O GLY A 80 -6.864 -7.726 -7.118 1.00 0.00 O ATOM 0 H GLY A 80 -9.661 -9.696 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.163 -9.757 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.724 -9.015 -7.620 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.829 -6.920 -6.376 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.289 -5.612 -6.028 1.00 0.00 C ATOM 1183 C LEU A 81 -7.083 -5.771 -5.103 1.00 0.00 C ATOM 1184 O LEU A 81 -6.078 -5.077 -5.250 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.384 -4.755 -5.368 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.900 -3.676 -4.391 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -7.984 -2.687 -5.097 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.084 -2.956 -3.764 1.00 0.00 C ATOM 0 H LEU A 81 -9.826 -7.027 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.956 -5.105 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.962 -4.271 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.065 -5.419 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.332 -4.160 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.651 -1.929 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.118 -3.215 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.526 -2.208 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.722 -2.194 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.679 -2.484 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.701 -3.673 -3.222 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.199 -6.685 -4.146 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.097 -6.962 -3.221 1.00 0.00 C ATOM 1202 C VAL A 82 -5.082 -7.882 -3.905 1.00 0.00 C ATOM 1203 O VAL A 82 -3.873 -7.698 -3.768 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.565 -7.525 -1.846 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -7.894 -8.212 -1.979 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -5.534 -8.445 -1.197 1.00 0.00 C ATOM 0 H VAL A 82 -8.037 -7.245 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.618 -6.012 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.676 -6.671 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.203 -8.598 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.637 -7.501 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.808 -9.037 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.918 -8.805 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.339 -9.293 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.608 -7.894 -1.031 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.588 -8.844 -4.667 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.711 -9.730 -5.405 1.00 0.00 C ATOM 1218 C GLY A 83 -3.769 -8.952 -6.299 1.00 0.00 C ATOM 1219 O GLY A 83 -2.674 -9.416 -6.620 1.00 0.00 O ATOM 0 H GLY A 83 -6.585 -9.025 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.135 -10.338 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.307 -10.415 -6.009 1.00 0.00 H new ATOM 1223 N ALA A 84 -4.194 -7.751 -6.686 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.380 -6.877 -7.517 1.00 0.00 C ATOM 1225 C ALA A 84 -2.270 -6.238 -6.690 1.00 0.00 C ATOM 1226 O ALA A 84 -1.169 -5.994 -7.186 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.248 -5.807 -8.165 1.00 0.00 C ATOM 0 H ALA A 84 -5.103 -7.363 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.920 -7.474 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.626 -5.160 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.008 -6.282 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.732 -5.212 -7.390 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.568 -5.984 -5.419 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.597 -5.398 -4.503 1.00 0.00 C ATOM 1235 C LEU A 85 -0.423 -6.354 -4.297 1.00 0.00 C ATOM 1236 O LEU A 85 0.721 -5.925 -4.152 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.273 -5.067 -3.163 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.340 -4.936 -1.954 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.131 -4.080 -2.301 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.086 -4.350 -0.765 1.00 0.00 C ATOM 0 H LEU A 85 -3.478 -6.176 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.213 -4.473 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.821 -4.132 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.007 -5.843 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.989 -5.931 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.519 -3.999 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.418 -4.541 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.463 -3.086 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.408 -4.264 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.468 -3.363 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.918 -5.002 -0.500 1.00 0.00 H new ATOM 1252 N MET A 86 -0.717 -7.651 -4.298 1.00 0.00 N ATOM 1253 CA MET A 86 0.316 -8.666 -4.131 1.00 0.00 C ATOM 1254 C MET A 86 1.452 -8.440 -5.124 1.00 0.00 C ATOM 1255 O MET A 86 2.626 -8.586 -4.786 1.00 0.00 O ATOM 1256 CB MET A 86 -0.279 -10.063 -4.323 1.00 0.00 C ATOM 1257 CG MET A 86 -1.457 -10.355 -3.407 1.00 0.00 C ATOM 1258 SD MET A 86 -2.129 -12.013 -3.644 1.00 0.00 S ATOM 1259 CE MET A 86 -3.732 -11.848 -2.860 1.00 0.00 C ATOM 0 H MET A 86 -1.660 -8.022 -4.412 1.00 0.00 H new ATOM 0 HA MET A 86 0.716 -8.588 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.599 -10.173 -5.359 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.499 -10.807 -4.149 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.143 -10.240 -2.370 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.242 -9.620 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.783 -12.508 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.876 -10.816 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.514 -12.119 -3.570 1.00 0.00 H new ATOM 1269 N HIS A 87 1.088 -8.067 -6.346 1.00 0.00 N ATOM 1270 CA HIS A 87 2.063 -7.798 -7.391 1.00 0.00 C ATOM 1271 C HIS A 87 3.008 -6.674 -6.972 1.00 0.00 C ATOM 1272 O HIS A 87 4.219 -6.870 -6.868 1.00 0.00 O ATOM 1273 CB HIS A 87 1.335 -7.428 -8.691 1.00 0.00 C ATOM 1274 CG HIS A 87 2.226 -6.842 -9.740 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.803 -5.903 -10.658 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.536 -7.051 -9.993 1.00 0.00 C ATOM 1277 CE1 HIS A 87 2.814 -5.569 -11.439 1.00 0.00 C ATOM 1278 NE2 HIS A 87 3.878 -6.252 -11.056 1.00 0.00 N ATOM 0 H HIS A 87 0.118 -7.944 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 87 2.659 -8.696 -7.557 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.855 -8.320 -9.093 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.543 -6.715 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.192 -7.722 -9.459 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.777 -4.859 -12.252 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.803 -6.195 -11.481 1.00 0.00 H new ATOM 1287 N VAL A 88 2.443 -5.493 -6.739 1.00 0.00 N ATOM 1288 CA VAL A 88 3.229 -4.333 -6.341 1.00 0.00 C ATOM 1289 C VAL A 88 4.135 -4.661 -5.158 1.00 0.00 C ATOM 1290 O VAL A 88 5.174 -4.028 -4.966 1.00 0.00 O ATOM 1291 CB VAL A 88 2.321 -3.144 -5.973 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.151 -1.944 -5.541 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.419 -2.783 -7.144 1.00 0.00 C ATOM 0 H VAL A 88 1.442 -5.315 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 88 3.846 -4.057 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 88 1.692 -3.439 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.489 -1.117 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.750 -2.211 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.809 -1.644 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.784 -1.941 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.031 -2.509 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.795 -3.639 -7.400 1.00 0.00 H new ATOM 1303 N MET A 89 3.739 -5.655 -4.372 1.00 0.00 N ATOM 1304 CA MET A 89 4.521 -6.069 -3.212 1.00 0.00 C ATOM 1305 C MET A 89 5.680 -6.965 -3.632 1.00 0.00 C ATOM 1306 O MET A 89 6.754 -6.932 -3.031 1.00 0.00 O ATOM 1307 CB MET A 89 3.632 -6.803 -2.208 1.00 0.00 C ATOM 1308 CG MET A 89 3.290 -5.972 -0.981 1.00 0.00 C ATOM 1309 SD MET A 89 4.704 -5.738 0.113 1.00 0.00 S ATOM 1310 CE MET A 89 4.727 -3.952 0.257 1.00 0.00 C ATOM 0 H MET A 89 2.882 -6.189 -4.516 1.00 0.00 H new ATOM 0 HA MET A 89 4.928 -5.175 -2.740 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.708 -7.103 -2.703 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.134 -7.717 -1.890 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.916 -4.999 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.485 -6.459 -0.430 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.713 -3.626 0.589 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.505 -3.506 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.977 -3.636 0.982 1.00 0.00 H new ATOM 1320 N GLN A 90 5.456 -7.765 -4.670 1.00 0.00 N ATOM 1321 CA GLN A 90 6.484 -8.666 -5.176 1.00 0.00 C ATOM 1322 C GLN A 90 7.683 -7.881 -5.695 1.00 0.00 C ATOM 1323 O GLN A 90 8.813 -8.365 -5.669 1.00 0.00 O ATOM 1324 CB GLN A 90 5.915 -9.546 -6.291 1.00 0.00 C ATOM 1325 CG GLN A 90 4.869 -10.539 -5.811 1.00 0.00 C ATOM 1326 CD GLN A 90 5.420 -11.944 -5.666 1.00 0.00 C ATOM 1327 OE1 GLN A 90 6.228 -12.218 -4.779 1.00 0.00 O ATOM 1328 NE2 GLN A 90 4.982 -12.843 -6.539 1.00 0.00 N ATOM 0 H GLN A 90 4.572 -7.807 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 90 6.815 -9.301 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.473 -8.908 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.732 -10.092 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.473 -10.208 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.035 -10.551 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.312 -12.571 -7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.316 -13.806 -6.491 1.00 0.00 H new ATOM 1337 N LYS A 91 7.426 -6.666 -6.166 1.00 0.00 N ATOM 1338 CA LYS A 91 8.483 -5.812 -6.694 1.00 0.00 C ATOM 1339 C LYS A 91 9.539 -5.526 -5.633 1.00 0.00 C ATOM 1340 O LYS A 91 10.738 -5.638 -5.890 1.00 0.00 O ATOM 1341 CB LYS A 91 7.890 -4.497 -7.207 1.00 0.00 C ATOM 1342 CG LYS A 91 8.052 -4.301 -8.706 1.00 0.00 C ATOM 1343 CD LYS A 91 9.515 -4.161 -9.093 1.00 0.00 C ATOM 1344 CE LYS A 91 9.679 -3.340 -10.362 1.00 0.00 C ATOM 1345 NZ LYS A 91 10.600 -2.187 -10.162 1.00 0.00 N ATOM 0 H LYS A 91 6.495 -6.250 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 91 8.962 -6.338 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.830 -4.464 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.366 -3.666 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.614 -5.148 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.505 -3.412 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.064 -3.688 -8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.950 -5.150 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.062 -3.977 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.705 -2.974 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.685 -1.653 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.222 -1.565 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.537 -2.537 -9.877 1.00 0.00 H new ATOM 1359 N ARG A 92 9.086 -5.148 -4.441 1.00 0.00 N ATOM 1360 CA ARG A 92 9.993 -4.843 -3.341 1.00 0.00 C ATOM 1361 C ARG A 92 10.620 -6.116 -2.785 1.00 0.00 C ATOM 1362 O ARG A 92 11.843 -6.240 -2.713 1.00 0.00 O ATOM 1363 CB ARG A 92 9.249 -4.097 -2.230 1.00 0.00 C ATOM 1364 CG ARG A 92 8.271 -3.053 -2.743 1.00 0.00 C ATOM 1365 CD ARG A 92 8.952 -2.050 -3.659 1.00 0.00 C ATOM 1366 NE ARG A 92 8.067 -1.592 -4.727 1.00 0.00 N ATOM 1367 CZ ARG A 92 8.248 -0.461 -5.400 1.00 0.00 C ATOM 1368 NH1 ARG A 92 9.279 0.324 -5.117 1.00 0.00 N ATOM 1369 NH2 ARG A 92 7.398 -0.112 -6.358 1.00 0.00 N ATOM 0 H ARG A 92 8.097 -5.046 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 92 10.790 -4.206 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.708 -4.819 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.977 -3.612 -1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.461 -3.546 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.821 -2.529 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.286 -1.194 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.842 -2.504 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 92 7.265 -2.173 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.935 0.060 -4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.416 1.192 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.604 -0.713 -6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.539 0.757 -6.873 1.00 0.00 H new ATOM 1383 N SER A 93 9.774 -7.064 -2.396 1.00 0.00 N ATOM 1384 CA SER A 93 10.241 -8.330 -1.847 1.00 0.00 C ATOM 1385 C SER A 93 11.298 -8.963 -2.748 1.00 0.00 C ATOM 1386 O SER A 93 12.198 -9.656 -2.274 1.00 0.00 O ATOM 1387 CB SER A 93 9.068 -9.296 -1.667 1.00 0.00 C ATOM 1388 OG SER A 93 8.753 -9.948 -2.886 1.00 0.00 O ATOM 0 H SER A 93 8.759 -6.978 -2.451 1.00 0.00 H new ATOM 0 HA SER A 93 10.692 -8.128 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.317 -10.038 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.196 -8.751 -1.306 1.00 0.00 H new ATOM 0 HG SER A 93 8.002 -10.561 -2.744 1.00 0.00 H new ATOM 1394 N ARG A 94 11.180 -8.723 -4.050 1.00 0.00 N ATOM 1395 CA ARG A 94 12.122 -9.277 -5.017 1.00 0.00 C ATOM 1396 C ARG A 94 13.371 -8.406 -5.155 1.00 0.00 C ATOM 1397 O ARG A 94 14.351 -8.815 -5.776 1.00 0.00 O ATOM 1398 CB ARG A 94 11.447 -9.436 -6.383 1.00 0.00 C ATOM 1399 CG ARG A 94 12.112 -10.471 -7.274 1.00 0.00 C ATOM 1400 CD ARG A 94 11.411 -11.817 -7.186 1.00 0.00 C ATOM 1401 NE ARG A 94 12.184 -12.881 -7.818 1.00 0.00 N ATOM 1402 CZ ARG A 94 11.828 -14.161 -7.800 1.00 0.00 C ATOM 1403 NH1 ARG A 94 10.714 -14.533 -7.185 1.00 0.00 N ATOM 1404 NH2 ARG A 94 12.585 -15.071 -8.399 1.00 0.00 N ATOM 0 H ARG A 94 10.443 -8.150 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 94 12.433 -10.254 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.404 -9.714 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.450 -8.473 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.104 -10.122 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.157 -10.584 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.238 -12.068 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.433 -11.748 -7.663 1.00 0.00 H new ATOM 0 HE ARG A 94 13.046 -12.628 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.129 -13.836 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.442 -15.516 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.442 -14.789 -8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.310 -16.053 -8.384 1.00 0.00 H new ATOM 1418 N ALA A 95 13.339 -7.209 -4.572 1.00 0.00 N ATOM 1419 CA ALA A 95 14.476 -6.297 -4.648 1.00 0.00 C ATOM 1420 C ALA A 95 15.443 -6.486 -3.481 1.00 0.00 C ATOM 1421 O ALA A 95 16.535 -5.918 -3.474 1.00 0.00 O ATOM 1422 CB ALA A 95 13.993 -4.857 -4.702 1.00 0.00 C ATOM 0 H ALA A 95 12.543 -6.851 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 95 15.020 -6.530 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.851 -4.187 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.365 -4.717 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.416 -4.633 -3.805 1.00 0.00 H new ATOM 1428 N ILE A 96 15.037 -7.277 -2.494 1.00 0.00 N ATOM 1429 CA ILE A 96 15.868 -7.538 -1.319 1.00 0.00 C ATOM 1430 C ILE A 96 16.520 -6.256 -0.802 1.00 0.00 C ATOM 1431 O ILE A 96 17.744 -6.128 -0.802 1.00 0.00 O ATOM 1432 CB ILE A 96 16.968 -8.574 -1.621 1.00 0.00 C ATOM 1433 CG1 ILE A 96 16.356 -9.845 -2.215 1.00 0.00 C ATOM 1434 CG2 ILE A 96 17.749 -8.901 -0.356 1.00 0.00 C ATOM 1435 CD1 ILE A 96 15.856 -9.673 -3.633 1.00 0.00 C ATOM 0 H ILE A 96 14.134 -7.751 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 96 15.204 -7.938 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 96 17.655 -8.147 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.101 -10.640 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.528 -10.169 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 96 18.522 -9.634 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 96 18.212 -7.993 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 96 17.072 -9.310 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.436 -10.614 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.087 -8.901 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.684 -9.380 -4.278 1.00 0.00 H new ATOM 1447 N HIS A 97 15.693 -5.312 -0.368 1.00 0.00 N ATOM 1448 CA HIS A 97 16.190 -4.042 0.147 1.00 0.00 C ATOM 1449 C HIS A 97 17.116 -3.368 -0.861 1.00 0.00 C ATOM 1450 O HIS A 97 18.269 -3.768 -1.023 1.00 0.00 O ATOM 1451 CB HIS A 97 16.932 -4.261 1.468 1.00 0.00 C ATOM 1452 CG HIS A 97 16.050 -4.183 2.674 1.00 0.00 C ATOM 1453 ND1 HIS A 97 15.057 -3.235 2.822 1.00 0.00 N ATOM 1454 CD2 HIS A 97 16.016 -4.939 3.799 1.00 0.00 C ATOM 1455 CE1 HIS A 97 14.451 -3.413 3.983 1.00 0.00 C ATOM 1456 NE2 HIS A 97 15.013 -4.439 4.593 1.00 0.00 N ATOM 0 H HIS A 97 14.677 -5.402 -0.362 1.00 0.00 H new ATOM 0 HA HIS A 97 15.334 -3.389 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.416 -5.238 1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.722 -3.516 1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 97 16.657 -5.777 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 97 13.635 -2.819 4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 97 14.745 -4.803 5.508 1.00 0.00 H new ATOM 1465 N SER A 98 16.605 -2.342 -1.536 1.00 0.00 N ATOM 1466 CA SER A 98 17.389 -1.617 -2.529 1.00 0.00 C ATOM 1467 C SER A 98 18.548 -0.873 -1.873 1.00 0.00 C ATOM 1468 O SER A 98 19.593 -0.666 -2.489 1.00 0.00 O ATOM 1469 CB SER A 98 16.499 -0.629 -3.288 1.00 0.00 C ATOM 1470 OG SER A 98 16.081 0.432 -2.449 1.00 0.00 O ATOM 0 H SER A 98 15.654 -1.995 -1.413 1.00 0.00 H new ATOM 0 HA SER A 98 17.799 -2.343 -3.231 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.043 -0.227 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.626 -1.150 -3.682 1.00 0.00 H new ATOM 0 HG SER A 98 15.516 1.049 -2.959 1.00 0.00 H new ATOM 1476 N SER A 99 18.356 -0.473 -0.621 1.00 0.00 N ATOM 1477 CA SER A 99 19.387 0.247 0.117 1.00 0.00 C ATOM 1478 C SER A 99 20.687 -0.548 0.151 1.00 0.00 C ATOM 1479 O SER A 99 21.767 -0.001 -0.069 1.00 0.00 O ATOM 1480 CB SER A 99 18.915 0.535 1.544 1.00 0.00 C ATOM 1481 OG SER A 99 19.255 1.853 1.938 1.00 0.00 O ATOM 0 H SER A 99 17.497 -0.635 -0.096 1.00 0.00 H new ATOM 0 HA SER A 99 19.573 1.191 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.835 0.400 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 99 19.366 -0.181 2.231 1.00 0.00 H new ATOM 0 HG SER A 99 18.941 2.012 2.853 1.00 0.00 H new ATOM 1487 N ASP A 100 20.575 -1.844 0.427 1.00 0.00 N ATOM 1488 CA ASP A 100 21.742 -2.715 0.487 1.00 0.00 C ATOM 1489 C ASP A 100 22.751 -2.203 1.509 1.00 0.00 C ATOM 1490 O ASP A 100 23.959 -2.389 1.352 1.00 0.00 O ATOM 1491 CB ASP A 100 22.401 -2.814 -0.889 1.00 0.00 C ATOM 1492 CG ASP A 100 23.343 -3.997 -0.997 1.00 0.00 C ATOM 1493 OD1 ASP A 100 22.893 -5.137 -0.757 1.00 0.00 O ATOM 1494 OD2 ASP A 100 24.531 -3.783 -1.319 1.00 0.00 O ATOM 0 H ASP A 100 19.688 -2.313 0.612 1.00 0.00 H new ATOM 0 HA ASP A 100 21.409 -3.706 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 100 21.628 -2.898 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 100 22.952 -1.895 -1.092 1.00 0.00 H new ATOM 1499 N GLU A 101 22.250 -1.556 2.557 1.00 0.00 N ATOM 1500 CA GLU A 101 23.108 -1.017 3.607 1.00 0.00 C ATOM 1501 C GLU A 101 24.083 -2.077 4.109 1.00 0.00 C ATOM 1502 O GLU A 101 25.299 -1.886 4.068 1.00 0.00 O ATOM 1503 CB GLU A 101 22.260 -0.497 4.770 1.00 0.00 C ATOM 1504 CG GLU A 101 23.076 0.143 5.880 1.00 0.00 C ATOM 1505 CD GLU A 101 22.385 1.346 6.492 1.00 0.00 C ATOM 1506 OE1 GLU A 101 21.989 2.254 5.732 1.00 0.00 O ATOM 1507 OE2 GLU A 101 22.239 1.379 7.732 1.00 0.00 O ATOM 0 H GLU A 101 21.254 -1.392 2.702 1.00 0.00 H new ATOM 0 HA GLU A 101 23.681 -0.191 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 101 21.545 0.232 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 101 21.682 -1.323 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.267 -0.596 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.045 0.447 5.484 1.00 0.00 H new ATOM 1514 N GLY A 102 23.542 -3.195 4.580 1.00 0.00 N ATOM 1515 CA GLY A 102 24.378 -4.270 5.082 1.00 0.00 C ATOM 1516 C GLY A 102 24.716 -4.102 6.550 1.00 0.00 C ATOM 1517 O GLY A 102 24.307 -4.909 7.385 1.00 0.00 O ATOM 0 H GLY A 102 22.539 -3.376 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 102 23.867 -5.222 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 102 25.300 -4.311 4.502 1.00 0.00 H new ATOM 1521 N GLU A 103 25.465 -3.050 6.866 1.00 0.00 N ATOM 1522 CA GLU A 103 25.858 -2.776 8.243 1.00 0.00 C ATOM 1523 C GLU A 103 26.233 -1.309 8.419 1.00 0.00 C ATOM 1524 O GLU A 103 26.718 -0.666 7.488 1.00 0.00 O ATOM 1525 CB GLU A 103 27.034 -3.669 8.647 1.00 0.00 C ATOM 1526 CG GLU A 103 27.214 -3.793 10.151 1.00 0.00 C ATOM 1527 CD GLU A 103 28.331 -2.915 10.680 1.00 0.00 C ATOM 1528 OE1 GLU A 103 29.382 -2.823 10.011 1.00 0.00 O ATOM 1529 OE2 GLU A 103 28.154 -2.317 11.763 1.00 0.00 O ATOM 0 H GLU A 103 25.812 -2.373 6.186 1.00 0.00 H new ATOM 0 HA GLU A 103 25.007 -2.994 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 103 26.887 -4.663 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 103 27.950 -3.269 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 103 26.281 -3.526 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 103 27.424 -4.832 10.403 1.00 0.00 H new ATOM 1536 N ASP A 104 26.004 -0.785 9.618 1.00 0.00 N ATOM 1537 CA ASP A 104 26.320 0.608 9.915 1.00 0.00 C ATOM 1538 C ASP A 104 27.812 0.783 10.173 1.00 0.00 C ATOM 1539 O ASP A 104 28.357 0.230 11.129 1.00 0.00 O ATOM 1540 CB ASP A 104 25.524 1.084 11.132 1.00 0.00 C ATOM 1541 CG ASP A 104 24.040 1.201 10.846 1.00 0.00 C ATOM 1542 OD1 ASP A 104 23.606 0.739 9.770 1.00 0.00 O ATOM 1543 OD2 ASP A 104 23.314 1.756 11.696 1.00 0.00 O ATOM 0 H ASP A 104 25.601 -1.303 10.399 1.00 0.00 H new ATOM 0 HA ASP A 104 26.045 1.210 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 104 25.678 0.389 11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 104 25.906 2.052 11.456 1.00 0.00 H new ATOM 1548 N GLN A 105 28.470 1.555 9.314 1.00 0.00 N ATOM 1549 CA GLN A 105 29.900 1.800 9.448 1.00 0.00 C ATOM 1550 C GLN A 105 30.691 0.507 9.279 1.00 0.00 C ATOM 1551 O GLN A 105 30.965 -0.196 10.251 1.00 0.00 O ATOM 1552 CB GLN A 105 30.204 2.423 10.811 1.00 0.00 C ATOM 1553 CG GLN A 105 31.409 3.350 10.800 1.00 0.00 C ATOM 1554 CD GLN A 105 32.706 2.622 11.095 1.00 0.00 C ATOM 1555 OE1 GLN A 105 33.342 2.075 10.196 1.00 0.00 O ATOM 1556 NE2 GLN A 105 33.104 2.614 12.363 1.00 0.00 N ATOM 0 H GLN A 105 28.035 2.021 8.518 1.00 0.00 H new ATOM 0 HA GLN A 105 30.201 2.494 8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.330 2.980 11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.375 1.627 11.535 1.00 0.00 H new ATOM 0 HG2 GLN A 105 31.482 3.834 9.826 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.263 4.139 11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 105 32.544 3.081 13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.969 2.141 12.623 1.00 0.00 H new ATOM 1565 N ALA A 106 31.052 0.199 8.038 1.00 0.00 N ATOM 1566 CA ALA A 106 31.809 -1.009 7.739 1.00 0.00 C ATOM 1567 C ALA A 106 33.197 -0.668 7.206 1.00 0.00 C ATOM 1568 O ALA A 106 33.346 -0.254 6.056 1.00 0.00 O ATOM 1569 CB ALA A 106 31.053 -1.872 6.739 1.00 0.00 C ATOM 0 H ALA A 106 30.832 0.771 7.223 1.00 0.00 H new ATOM 0 HA ALA A 106 31.932 -1.571 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.630 -2.771 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 106 30.087 -2.152 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.900 -1.311 5.817 1.00 0.00 H new ATOM 1575 N GLY A 107 34.209 -0.840 8.049 1.00 0.00 N ATOM 1576 CA GLY A 107 35.570 -0.542 7.644 1.00 0.00 C ATOM 1577 C GLY A 107 36.090 -1.506 6.597 1.00 0.00 C ATOM 1578 O GLY A 107 35.673 -1.392 5.425 1.00 0.00 O ATOM 1579 OXT GLY A 107 36.915 -2.376 6.948 1.00 0.00 O ATOM 0 H GLY A 107 34.111 -1.180 9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 107 35.614 0.474 7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 107 36.221 -0.575 8.518 1.00 0.00 H new TER 1583 GLY A 107 HETATM 1584 C0 WSK A 108 -6.591 7.654 3.278 1.00 20.00 C HETATM 1585 N0 WSK A 108 -4.778 7.760 -0.589 1.00 20.00 N HETATM 1586 O0 WSK A 108 -3.190 9.409 -2.730 1.00 20.00 O HETATM 1587 C1 WSK A 108 -7.348 8.365 2.231 1.00 20.00 C HETATM 1588 N1 WSK A 108 -4.691 10.273 -4.634 1.00 20.00 N HETATM 1589 C2 WSK A 108 -6.852 8.469 0.881 1.00 20.00 C HETATM 1590 C3 WSK A 108 -5.555 7.847 0.568 1.00 20.00 C HETATM 1591 C4 WSK A 108 -4.804 7.138 1.605 1.00 20.00 C HETATM 1592 C5 WSK A 108 -5.322 7.033 2.980 1.00 20.00 C HETATM 1593 C6 WSK A 108 -3.603 6.641 1.012 1.00 20.00 C HETATM 1594 C7 WSK A 108 -3.596 7.039 -0.391 1.00 20.00 C HETATM 1595 C8 WSK A 108 -2.459 6.676 -1.255 1.00 20.00 C HETATM 1596 C9 WSK A 108 -1.370 5.923 -0.677 1.00 20.00 C HETATM 1597 C10 WSK A 108 -1.399 5.513 0.744 1.00 20.00 C HETATM 1598 C11 WSK A 108 -2.500 5.859 1.578 1.00 20.00 C HETATM 1599 C12 WSK A 108 -5.175 8.324 -1.897 1.00 20.00 C HETATM 1600 C13 WSK A 108 -4.521 9.641 -2.135 1.00 20.00 C HETATM 1601 C14 WSK A 108 -5.316 10.419 -3.320 1.00 20.00 C HETATM 1602 C15 WSK A 108 -5.669 10.165 -5.712 1.00 20.00 C HETATM 1603 C16 WSK A 108 -3.804 11.397 -4.916 1.00 20.00 C HETATM 1604 BR1 WSK A 108 0.002 4.498 1.517 1.00 20.00 BR HETATM 1605 BR2 WSK A 108 -7.294 7.541 5.030 1.00 20.00 BR HETATM 0 H9 WSK A 108 -4.903 7.631 -2.693 1.00 20.00 H new HETATM 0 H8 WSK A 108 -6.258 8.441 -1.932 1.00 20.00 H new HETATM 0 H6 WSK A 108 -2.522 5.547 2.622 1.00 20.00 H new HETATM 0 H5 WSK A 108 -0.515 5.653 -1.297 1.00 20.00 H new HETATM 0 H4 WSK A 108 -2.440 6.969 -2.305 1.00 20.00 H new HETATM 0 H3 WSK A 108 -4.763 6.502 3.750 1.00 20.00 H new HETATM 0 H2 WSK A 108 -7.421 8.993 0.114 1.00 20.00 H new HETATM 0 H19 WSK A 108 -6.301 9.293 -5.544 1.00 20.00 H new HETATM 0 H18 WSK A 108 -6.287 11.063 -5.734 1.00 20.00 H new HETATM 0 H17 WSK A 108 -5.150 10.059 -6.665 1.00 20.00 H new HETATM 0 H16 WSK A 108 -4.376 12.325 -4.901 1.00 20.00 H new HETATM 0 H15 WSK A 108 -3.021 11.442 -4.159 1.00 20.00 H new HETATM 0 H14 WSK A 108 -3.351 11.265 -5.899 1.00 20.00 H new HETATM 0 H13 WSK A 108 -2.583 10.132 -2.466 1.00 20.00 H new HETATM 0 H12 WSK A 108 -5.377 11.478 -3.071 1.00 20.00 H new HETATM 0 H11 WSK A 108 -6.338 10.043 -3.369 1.00 20.00 H new HETATM 0 H10 WSK A 108 -4.495 10.187 -1.192 1.00 20.00 H new HETATM 0 H1 WSK A 108 -8.305 8.822 2.483 1.00 20.00 H new