USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= -0.376 X(o=-0.08,f=-0.23) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.296 USER MOD Set 2.1: A 73 MET CE :methyl -115:sc= -0.0972 (180deg=-0.511) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00562 X(o=-0.0056,f=-0.0056) USER MOD Single : A 25 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0.993 (180deg=0.833) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 46 MET CE :methyl 168:sc= -0.115 (180deg=-0.332) USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.0468 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0.638 (180deg=0.427) USER MOD Single : A 53 MET CE :methyl -118:sc=-0.00644 (180deg=-0.585) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.464 K(o=0.46,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 17:sc= 1.29 USER MOD Single : A 61 MET CE :methyl -179:sc= -1.15 (180deg=-1.19) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.42 X(o=0.42,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.895 K(o=0.89,f=-0.29) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.28 USER MOD Single : A 88 GLN : amide:sc= 0.315 K(o=0.31,f=-0.19) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.054) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 157:sc= -0.0604 (180deg=-0.243) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 1.15 (180deg=0.783) USER MOD Single : A 105 ASN : amide:sc= 1.08 K(o=1.1,f=-3!) USER MOD Single : A 108 THR OG1 : rot 130:sc= 0.626 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.094 11.759 6.584 1.00 0.00 N ATOM 2 CA GLN A 23 2.241 12.595 6.954 1.00 0.00 C ATOM 3 C GLN A 23 3.563 11.794 7.015 1.00 0.00 C ATOM 4 O GLN A 23 3.603 10.600 6.695 1.00 0.00 O ATOM 5 CB GLN A 23 1.944 13.315 8.290 1.00 0.00 C ATOM 6 CG GLN A 23 0.672 14.186 8.288 1.00 0.00 C ATOM 7 CD GLN A 23 0.711 15.307 7.248 1.00 0.00 C ATOM 8 OE1 GLN A 23 0.104 15.233 6.186 1.00 0.00 O ATOM 9 NE2 GLN A 23 1.430 16.384 7.497 1.00 0.00 N ATOM 0 HA GLN A 23 2.384 13.342 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.853 12.567 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.797 13.944 8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.194 13.552 8.097 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.536 14.622 9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.942 16.463 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.474 17.138 6.811 1.00 0.00 H new ATOM 18 N ILE A 24 4.658 12.455 7.415 1.00 0.00 N ATOM 19 CA ILE A 24 6.012 11.877 7.500 1.00 0.00 C ATOM 20 C ILE A 24 6.027 10.649 8.428 1.00 0.00 C ATOM 21 O ILE A 24 5.615 10.735 9.588 1.00 0.00 O ATOM 22 CB ILE A 24 7.051 12.921 7.993 1.00 0.00 C ATOM 23 CG1 ILE A 24 6.885 14.344 7.409 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.481 12.410 7.729 1.00 0.00 C ATOM 25 CD1 ILE A 24 6.981 14.439 5.884 1.00 0.00 C ATOM 0 H ILE A 24 4.628 13.435 7.697 1.00 0.00 H new ATOM 0 HA ILE A 24 6.291 11.566 6.493 1.00 0.00 H new ATOM 0 HB ILE A 24 6.864 13.025 9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.917 14.737 7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.647 14.990 7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.202 13.149 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.636 11.472 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.618 12.247 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.852 15.476 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.958 14.083 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.202 13.826 5.431 1.00 0.00 H new ATOM 37 N ASN A 25 6.525 9.515 7.922 1.00 0.00 N ATOM 38 CA ASN A 25 6.731 8.280 8.693 1.00 0.00 C ATOM 39 C ASN A 25 8.221 7.898 8.735 1.00 0.00 C ATOM 40 O ASN A 25 8.951 8.355 9.617 1.00 0.00 O ATOM 41 CB ASN A 25 5.766 7.175 8.210 1.00 0.00 C ATOM 42 CG ASN A 25 4.379 7.299 8.828 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.025 6.577 9.750 1.00 0.00 O ATOM 44 ND2 ASN A 25 3.545 8.203 8.364 1.00 0.00 N ATOM 0 H ASN A 25 6.802 9.427 6.944 1.00 0.00 H new ATOM 0 HA ASN A 25 6.468 8.440 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.682 7.220 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.184 6.199 8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.615 8.296 8.772 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.828 8.811 7.596 1.00 0.00 H new ATOM 51 N GLN A 26 8.677 7.092 7.775 1.00 0.00 N ATOM 52 CA GLN A 26 10.070 6.662 7.620 1.00 0.00 C ATOM 53 C GLN A 26 10.475 6.581 6.141 1.00 0.00 C ATOM 54 O GLN A 26 9.732 6.053 5.311 1.00 0.00 O ATOM 55 CB GLN A 26 10.248 5.306 8.325 1.00 0.00 C ATOM 56 CG GLN A 26 9.339 4.166 7.813 1.00 0.00 C ATOM 57 CD GLN A 26 10.101 3.092 7.033 1.00 0.00 C ATOM 58 OE1 GLN A 26 10.525 2.075 7.569 1.00 0.00 O ATOM 59 NE2 GLN A 26 10.311 3.271 5.745 1.00 0.00 N ATOM 0 H GLN A 26 8.065 6.706 7.057 1.00 0.00 H new ATOM 0 HA GLN A 26 10.727 7.400 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.287 4.994 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.064 5.443 9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.836 3.702 8.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.563 4.588 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.964 4.112 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.820 2.568 5.209 1.00 0.00 H new ATOM 68 N VAL A 27 11.656 7.102 5.806 1.00 0.00 N ATOM 69 CA VAL A 27 12.181 7.176 4.426 1.00 0.00 C ATOM 70 C VAL A 27 13.691 7.446 4.418 1.00 0.00 C ATOM 71 O VAL A 27 14.244 7.922 5.409 1.00 0.00 O ATOM 72 CB VAL A 27 11.420 8.275 3.643 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.330 9.574 4.440 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.000 8.609 2.263 1.00 0.00 C ATOM 0 H VAL A 27 12.295 7.496 6.497 1.00 0.00 H new ATOM 0 HA VAL A 27 12.022 6.214 3.939 1.00 0.00 H new ATOM 0 HB VAL A 27 10.434 7.838 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.790 10.321 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.802 9.391 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.334 9.939 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.399 9.388 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.026 8.960 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.988 7.716 1.638 1.00 0.00 H new ATOM 84 N ARG A 28 14.357 7.186 3.283 1.00 0.00 N ATOM 85 CA ARG A 28 15.732 7.623 3.031 1.00 0.00 C ATOM 86 C ARG A 28 15.968 7.773 1.513 1.00 0.00 C ATOM 87 O ARG A 28 15.819 6.780 0.800 1.00 0.00 O ATOM 88 CB ARG A 28 16.710 6.607 3.671 1.00 0.00 C ATOM 89 CG ARG A 28 18.026 7.295 4.065 1.00 0.00 C ATOM 90 CD ARG A 28 17.850 8.197 5.302 1.00 0.00 C ATOM 91 NE ARG A 28 18.854 9.274 5.323 1.00 0.00 N ATOM 92 CZ ARG A 28 20.075 9.222 5.829 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.508 8.205 6.522 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.897 10.207 5.631 1.00 0.00 N ATOM 0 H ARG A 28 13.949 6.661 2.509 1.00 0.00 H new ATOM 0 HA ARG A 28 15.908 8.599 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.251 6.158 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.913 5.798 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.784 6.539 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.389 7.892 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.849 8.629 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.937 7.597 6.208 1.00 0.00 H new ATOM 0 HE ARG A 28 18.577 10.160 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.897 7.407 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.458 8.208 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.600 11.017 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.839 10.171 6.020 1.00 0.00 H new ATOM 108 N PRO A 29 16.263 8.979 0.992 1.00 0.00 N ATOM 109 CA PRO A 29 16.549 9.210 -0.426 1.00 0.00 C ATOM 110 C PRO A 29 18.057 9.077 -0.741 1.00 0.00 C ATOM 111 O PRO A 29 18.865 8.763 0.137 1.00 0.00 O ATOM 112 CB PRO A 29 15.992 10.616 -0.684 1.00 0.00 C ATOM 113 CG PRO A 29 16.345 11.340 0.609 1.00 0.00 C ATOM 114 CD PRO A 29 16.162 10.263 1.679 1.00 0.00 C ATOM 0 HA PRO A 29 16.090 8.470 -1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.454 11.085 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.917 10.602 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.367 11.719 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.691 12.194 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.925 10.351 2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.195 10.365 2.172 1.00 0.00 H new ATOM 122 N LYS A 30 18.439 9.358 -1.996 1.00 0.00 N ATOM 123 CA LYS A 30 19.841 9.487 -2.454 1.00 0.00 C ATOM 124 C LYS A 30 20.078 10.880 -3.043 1.00 0.00 C ATOM 125 O LYS A 30 19.145 11.476 -3.580 1.00 0.00 O ATOM 126 CB LYS A 30 20.158 8.336 -3.422 1.00 0.00 C ATOM 127 CG LYS A 30 21.660 8.015 -3.504 1.00 0.00 C ATOM 128 CD LYS A 30 21.965 6.805 -4.401 1.00 0.00 C ATOM 129 CE LYS A 30 21.835 7.162 -5.888 1.00 0.00 C ATOM 130 NZ LYS A 30 22.037 5.967 -6.757 1.00 0.00 N ATOM 0 H LYS A 30 17.765 9.507 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 30 20.535 9.399 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.618 7.443 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.793 8.594 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.192 8.887 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.040 7.822 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.974 6.446 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.282 5.990 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.849 7.587 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.567 7.928 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.179 6.273 -7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.874 5.440 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.199 5.353 -6.703 1.00 0.00 H new ATOM 144 N LEU A 31 21.304 11.399 -2.965 1.00 0.00 N ATOM 145 CA LEU A 31 21.639 12.799 -3.284 1.00 0.00 C ATOM 146 C LEU A 31 21.100 13.325 -4.635 1.00 0.00 C ATOM 147 O LEU A 31 20.409 14.344 -4.609 1.00 0.00 O ATOM 148 CB LEU A 31 23.161 12.998 -3.108 1.00 0.00 C ATOM 149 CG LEU A 31 23.659 14.447 -3.292 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.079 15.398 -2.242 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.183 14.484 -3.173 1.00 0.00 C ATOM 0 H LEU A 31 22.113 10.851 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 31 21.103 13.428 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.443 12.657 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.680 12.359 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 31 23.330 14.775 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.459 16.405 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.992 15.403 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.373 15.064 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.533 15.508 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.480 14.121 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.624 13.849 -3.942 1.00 0.00 H new ATOM 163 N PRO A 32 21.298 12.657 -5.792 1.00 0.00 N ATOM 164 CA PRO A 32 20.810 13.161 -7.084 1.00 0.00 C ATOM 165 C PRO A 32 19.274 13.176 -7.244 1.00 0.00 C ATOM 166 O PRO A 32 18.774 13.723 -8.225 1.00 0.00 O ATOM 167 CB PRO A 32 21.508 12.303 -8.147 1.00 0.00 C ATOM 168 CG PRO A 32 21.815 10.999 -7.422 1.00 0.00 C ATOM 169 CD PRO A 32 22.115 11.465 -6.003 1.00 0.00 C ATOM 0 HA PRO A 32 21.056 14.218 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.865 12.138 -9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.417 12.781 -8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.970 10.311 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.665 10.480 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.870 10.690 -5.277 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.174 11.691 -5.882 1.00 0.00 H new ATOM 177 N LEU A 33 18.517 12.630 -6.282 1.00 0.00 N ATOM 178 CA LEU A 33 17.052 12.745 -6.198 1.00 0.00 C ATOM 179 C LEU A 33 16.633 13.685 -5.052 1.00 0.00 C ATOM 180 O LEU A 33 15.764 14.530 -5.254 1.00 0.00 O ATOM 181 CB LEU A 33 16.465 11.315 -6.163 1.00 0.00 C ATOM 182 CG LEU A 33 14.939 11.130 -6.306 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.220 11.257 -4.963 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.290 12.101 -7.290 1.00 0.00 C ATOM 0 H LEU A 33 18.916 12.082 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 33 16.627 13.231 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.942 10.744 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.765 10.859 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 33 14.827 10.120 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.149 11.120 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.593 10.496 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.405 12.246 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.218 11.910 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.462 13.125 -6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.726 11.963 -8.279 1.00 0.00 H new ATOM 196 N LEU A 34 17.314 13.653 -3.896 1.00 0.00 N ATOM 197 CA LEU A 34 17.160 14.648 -2.816 1.00 0.00 C ATOM 198 C LEU A 34 17.281 16.082 -3.347 1.00 0.00 C ATOM 199 O LEU A 34 16.447 16.927 -3.035 1.00 0.00 O ATOM 200 CB LEU A 34 18.220 14.389 -1.731 1.00 0.00 C ATOM 201 CG LEU A 34 18.166 15.319 -0.496 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.929 16.630 -0.672 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.747 15.606 -0.019 1.00 0.00 C ATOM 0 H LEU A 34 17.997 12.927 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 34 16.162 14.542 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.118 13.359 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.207 14.478 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 34 18.676 14.745 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.843 17.226 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.980 16.416 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.510 17.185 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.781 16.264 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.185 16.089 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.258 14.670 0.253 1.00 0.00 H new ATOM 215 N LYS A 35 18.276 16.373 -4.192 1.00 0.00 N ATOM 216 CA LYS A 35 18.452 17.726 -4.746 1.00 0.00 C ATOM 217 C LYS A 35 17.268 18.191 -5.603 1.00 0.00 C ATOM 218 O LYS A 35 16.990 19.385 -5.613 1.00 0.00 O ATOM 219 CB LYS A 35 19.790 17.831 -5.502 1.00 0.00 C ATOM 220 CG LYS A 35 21.054 17.709 -4.633 1.00 0.00 C ATOM 221 CD LYS A 35 21.090 18.628 -3.401 1.00 0.00 C ATOM 222 CE LYS A 35 20.926 20.131 -3.680 1.00 0.00 C ATOM 223 NZ LYS A 35 22.108 20.719 -4.376 1.00 0.00 N ATOM 0 H LYS A 35 18.970 15.696 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 35 18.481 18.413 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.818 17.053 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.819 18.788 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.148 16.676 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.924 17.924 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.301 18.317 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.038 18.475 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.036 20.289 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.766 20.656 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.945 21.733 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.955 20.595 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.248 20.239 -5.288 1.00 0.00 H new ATOM 237 N ILE A 36 16.503 17.280 -6.213 1.00 0.00 N ATOM 238 CA ILE A 36 15.226 17.610 -6.877 1.00 0.00 C ATOM 239 C ILE A 36 14.178 18.017 -5.836 1.00 0.00 C ATOM 240 O ILE A 36 13.480 19.011 -6.011 1.00 0.00 O ATOM 241 CB ILE A 36 14.703 16.441 -7.735 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.794 15.820 -8.628 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.509 16.903 -8.591 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.630 16.796 -9.463 1.00 0.00 C ATOM 0 H ILE A 36 16.747 16.291 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 36 15.412 18.449 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 36 14.379 15.661 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.470 15.248 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.318 15.112 -9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.148 16.069 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.708 17.254 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.824 17.714 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.362 16.240 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.976 17.353 -10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.147 17.491 -8.801 1.00 0.00 H new ATOM 256 N LEU A 37 14.111 17.282 -4.720 1.00 0.00 N ATOM 257 CA LEU A 37 13.174 17.530 -3.620 1.00 0.00 C ATOM 258 C LEU A 37 13.432 18.887 -2.949 1.00 0.00 C ATOM 259 O LEU A 37 12.512 19.692 -2.807 1.00 0.00 O ATOM 260 CB LEU A 37 13.170 16.322 -2.655 1.00 0.00 C ATOM 261 CG LEU A 37 12.766 14.994 -3.338 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.906 13.805 -2.396 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.317 15.017 -3.807 1.00 0.00 C ATOM 0 H LEU A 37 14.720 16.481 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 37 12.160 17.614 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.163 16.211 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.482 16.524 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 37 13.441 14.889 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.612 12.893 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.943 13.719 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.263 13.951 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.073 14.066 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.660 15.175 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.180 15.826 -4.524 1.00 0.00 H new ATOM 275 N HIS A 38 14.692 19.208 -2.641 1.00 0.00 N ATOM 276 CA HIS A 38 15.077 20.546 -2.162 1.00 0.00 C ATOM 277 C HIS A 38 14.790 21.635 -3.218 1.00 0.00 C ATOM 278 O HIS A 38 14.201 22.660 -2.884 1.00 0.00 O ATOM 279 CB HIS A 38 16.575 20.576 -1.834 1.00 0.00 C ATOM 280 CG HIS A 38 16.969 19.986 -0.501 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.155 20.289 0.174 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.259 19.084 0.239 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.139 19.557 1.299 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.014 18.822 1.363 1.00 0.00 N ATOM 0 H HIS A 38 15.472 18.555 -2.715 1.00 0.00 H new ATOM 0 HA HIS A 38 14.484 20.752 -1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.110 20.041 -2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.914 21.612 -1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.297 18.660 -0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.918 19.558 2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.762 18.180 2.115 1.00 0.00 H new ATOM 292 N ALA A 39 15.158 21.426 -4.494 1.00 0.00 N ATOM 293 CA ALA A 39 14.978 22.423 -5.562 1.00 0.00 C ATOM 294 C ALA A 39 13.497 22.717 -5.878 1.00 0.00 C ATOM 295 O ALA A 39 13.150 23.847 -6.226 1.00 0.00 O ATOM 296 CB ALA A 39 15.721 21.954 -6.818 1.00 0.00 C ATOM 0 H ALA A 39 15.590 20.559 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 39 15.397 23.364 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.591 22.688 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.782 21.845 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.318 20.994 -7.142 1.00 0.00 H new ATOM 302 N ALA A 40 12.614 21.728 -5.693 1.00 0.00 N ATOM 303 CA ALA A 40 11.157 21.910 -5.743 1.00 0.00 C ATOM 304 C ALA A 40 10.615 22.824 -4.616 1.00 0.00 C ATOM 305 O ALA A 40 9.507 23.352 -4.724 1.00 0.00 O ATOM 306 CB ALA A 40 10.502 20.525 -5.679 1.00 0.00 C ATOM 0 H ALA A 40 12.894 20.766 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 40 10.908 22.417 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.418 20.633 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.835 19.926 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.787 20.030 -4.750 1.00 0.00 H new ATOM 312 N GLY A 41 11.388 23.021 -3.541 1.00 0.00 N ATOM 313 CA GLY A 41 11.071 23.907 -2.416 1.00 0.00 C ATOM 314 C GLY A 41 11.355 23.313 -1.029 1.00 0.00 C ATOM 315 O GLY A 41 11.176 24.018 -0.031 1.00 0.00 O ATOM 0 H GLY A 41 12.285 22.549 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.643 24.829 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.017 24.178 -2.471 1.00 0.00 H new ATOM 319 N ALA A 42 11.774 22.043 -0.935 1.00 0.00 N ATOM 320 CA ALA A 42 12.005 21.371 0.343 1.00 0.00 C ATOM 321 C ALA A 42 13.375 21.696 0.995 1.00 0.00 C ATOM 322 O ALA A 42 14.142 22.556 0.554 1.00 0.00 O ATOM 323 CB ALA A 42 11.756 19.864 0.165 1.00 0.00 C ATOM 0 H ALA A 42 11.961 21.455 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 42 11.291 21.766 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.926 19.353 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.727 19.701 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.438 19.469 -0.588 1.00 0.00 H new ATOM 329 N GLN A 43 13.638 20.977 2.083 1.00 0.00 N ATOM 330 CA GLN A 43 14.758 21.074 3.033 1.00 0.00 C ATOM 331 C GLN A 43 14.663 19.894 4.033 1.00 0.00 C ATOM 332 O GLN A 43 13.570 19.593 4.517 1.00 0.00 O ATOM 333 CB GLN A 43 14.682 22.417 3.792 1.00 0.00 C ATOM 334 CG GLN A 43 15.885 22.659 4.722 1.00 0.00 C ATOM 335 CD GLN A 43 15.859 24.022 5.422 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.943 24.828 5.295 1.00 0.00 O ATOM 337 NE2 GLN A 43 16.872 24.340 6.203 1.00 0.00 N ATOM 0 H GLN A 43 13.004 20.226 2.356 1.00 0.00 H new ATOM 0 HA GLN A 43 15.707 21.028 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.620 23.231 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.765 22.442 4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.913 21.873 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.804 22.576 4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.646 23.687 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.882 25.239 6.685 1.00 0.00 H new ATOM 346 N GLY A 44 15.789 19.241 4.356 1.00 0.00 N ATOM 347 CA GLY A 44 15.855 18.036 5.205 1.00 0.00 C ATOM 348 C GLY A 44 15.351 16.777 4.486 1.00 0.00 C ATOM 349 O GLY A 44 14.175 16.674 4.159 1.00 0.00 O ATOM 0 H GLY A 44 16.706 19.543 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.885 17.879 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.262 18.198 6.105 1.00 0.00 H new ATOM 353 N GLU A 45 16.236 15.809 4.224 1.00 0.00 N ATOM 354 CA GLU A 45 16.029 14.625 3.374 1.00 0.00 C ATOM 355 C GLU A 45 15.125 13.515 3.957 1.00 0.00 C ATOM 356 O GLU A 45 15.432 12.328 3.852 1.00 0.00 O ATOM 357 CB GLU A 45 17.413 14.136 2.903 1.00 0.00 C ATOM 358 CG GLU A 45 18.318 13.644 4.043 1.00 0.00 C ATOM 359 CD GLU A 45 19.671 13.136 3.518 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.465 13.938 2.969 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.965 11.930 3.697 1.00 0.00 O ATOM 0 H GLU A 45 17.174 15.830 4.623 1.00 0.00 H new ATOM 0 HA GLU A 45 15.430 14.930 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.277 13.327 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.915 14.948 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.484 14.456 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.815 12.844 4.587 1.00 0.00 H new ATOM 368 N MET A 46 13.998 13.888 4.570 1.00 0.00 N ATOM 369 CA MET A 46 13.059 12.965 5.220 1.00 0.00 C ATOM 370 C MET A 46 11.601 13.336 4.853 1.00 0.00 C ATOM 371 O MET A 46 10.924 14.092 5.553 1.00 0.00 O ATOM 372 CB MET A 46 13.303 13.021 6.734 1.00 0.00 C ATOM 373 CG MET A 46 12.430 12.119 7.621 1.00 0.00 C ATOM 374 SD MET A 46 12.635 10.321 7.470 1.00 0.00 S ATOM 375 CE MET A 46 14.421 10.143 7.732 1.00 0.00 C ATOM 0 H MET A 46 13.705 14.863 4.630 1.00 0.00 H new ATOM 0 HA MET A 46 13.220 11.944 4.874 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.347 12.766 6.917 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.164 14.052 7.060 1.00 0.00 H new ATOM 0 HG2 MET A 46 12.617 12.390 8.660 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.386 12.355 7.413 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.664 9.091 7.880 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.956 10.520 6.860 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.718 10.712 8.613 1.00 0.00 H new ATOM 385 N PHE A 47 11.130 12.810 3.723 1.00 0.00 N ATOM 386 CA PHE A 47 9.767 12.983 3.160 1.00 0.00 C ATOM 387 C PHE A 47 9.291 11.704 2.456 1.00 0.00 C ATOM 388 O PHE A 47 10.015 11.162 1.632 1.00 0.00 O ATOM 389 CB PHE A 47 9.685 14.180 2.185 1.00 0.00 C ATOM 390 CG PHE A 47 10.996 14.809 1.769 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.976 14.028 1.129 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.248 16.164 2.046 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.219 14.586 0.806 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.477 16.732 1.680 1.00 0.00 C ATOM 395 CZ PHE A 47 13.458 15.949 1.055 1.00 0.00 C ATOM 0 H PHE A 47 11.713 12.216 3.133 1.00 0.00 H new ATOM 0 HA PHE A 47 9.108 13.191 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.165 13.851 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.068 14.952 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.769 12.996 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.498 16.765 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.991 13.972 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.668 17.776 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.398 16.393 0.764 1.00 0.00 H new ATOM 405 N THR A 48 8.100 11.201 2.791 1.00 0.00 N ATOM 406 CA THR A 48 7.584 9.867 2.379 1.00 0.00 C ATOM 407 C THR A 48 7.023 9.868 0.948 1.00 0.00 C ATOM 408 O THR A 48 6.955 10.926 0.338 1.00 0.00 O ATOM 409 CB THR A 48 6.572 9.329 3.423 1.00 0.00 C ATOM 410 OG1 THR A 48 6.106 10.349 4.285 1.00 0.00 O ATOM 411 CG2 THR A 48 7.235 8.313 4.353 1.00 0.00 C ATOM 0 H THR A 48 7.439 11.716 3.373 1.00 0.00 H new ATOM 0 HA THR A 48 8.427 9.176 2.355 1.00 0.00 H new ATOM 0 HB THR A 48 5.760 8.896 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.620 11.021 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.504 7.951 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.612 7.475 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.062 8.788 4.880 1.00 0.00 H new ATOM 419 N VAL A 49 6.601 8.726 0.367 1.00 0.00 N ATOM 420 CA VAL A 49 6.201 8.648 -1.073 1.00 0.00 C ATOM 421 C VAL A 49 5.140 9.687 -1.456 1.00 0.00 C ATOM 422 O VAL A 49 5.239 10.323 -2.503 1.00 0.00 O ATOM 423 CB VAL A 49 5.765 7.218 -1.482 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.501 6.707 -0.781 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.585 7.075 -2.997 1.00 0.00 C ATOM 0 H VAL A 49 6.525 7.839 0.865 1.00 0.00 H new ATOM 0 HA VAL A 49 7.097 8.893 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 49 6.594 6.595 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.273 5.700 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.664 6.690 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.665 7.368 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.279 6.056 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.820 7.772 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.528 7.296 -3.498 1.00 0.00 H new ATOM 435 N LYS A 50 4.194 9.939 -0.545 1.00 0.00 N ATOM 436 CA LYS A 50 3.143 10.961 -0.685 1.00 0.00 C ATOM 437 C LYS A 50 3.703 12.386 -0.860 1.00 0.00 C ATOM 438 O LYS A 50 3.163 13.178 -1.629 1.00 0.00 O ATOM 439 CB LYS A 50 2.181 10.831 0.513 1.00 0.00 C ATOM 440 CG LYS A 50 2.740 11.364 1.848 1.00 0.00 C ATOM 441 CD LYS A 50 1.861 11.021 3.061 1.00 0.00 C ATOM 442 CE LYS A 50 2.057 9.570 3.532 1.00 0.00 C ATOM 443 NZ LYS A 50 1.157 9.243 4.674 1.00 0.00 N ATOM 0 H LYS A 50 4.134 9.426 0.335 1.00 0.00 H new ATOM 0 HA LYS A 50 2.591 10.783 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.259 11.365 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.918 9.781 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.738 10.954 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.847 12.447 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.094 11.701 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.814 11.179 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.861 8.888 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.095 9.419 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.518 8.404 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.124 10.048 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.200 9.048 4.317 1.00 0.00 H new ATOM 457 N GLU A 51 4.814 12.682 -0.184 1.00 0.00 N ATOM 458 CA GLU A 51 5.581 13.928 -0.298 1.00 0.00 C ATOM 459 C GLU A 51 6.506 13.927 -1.526 1.00 0.00 C ATOM 460 O GLU A 51 6.479 14.871 -2.311 1.00 0.00 O ATOM 461 CB GLU A 51 6.377 14.153 0.999 1.00 0.00 C ATOM 462 CG GLU A 51 5.520 14.372 2.251 1.00 0.00 C ATOM 463 CD GLU A 51 4.634 15.630 2.142 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.129 16.751 2.411 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.432 15.508 1.801 1.00 0.00 O ATOM 0 H GLU A 51 5.224 12.033 0.488 1.00 0.00 H new ATOM 0 HA GLU A 51 4.882 14.752 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.024 13.292 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.026 15.018 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.888 13.499 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.169 14.462 3.122 1.00 0.00 H new ATOM 472 N VAL A 52 7.293 12.861 -1.734 1.00 0.00 N ATOM 473 CA VAL A 52 8.240 12.717 -2.864 1.00 0.00 C ATOM 474 C VAL A 52 7.542 12.922 -4.207 1.00 0.00 C ATOM 475 O VAL A 52 8.003 13.719 -5.024 1.00 0.00 O ATOM 476 CB VAL A 52 8.933 11.335 -2.848 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.807 11.054 -4.080 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.840 11.203 -1.623 1.00 0.00 C ATOM 0 H VAL A 52 7.293 12.054 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 52 8.997 13.491 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 52 8.113 10.617 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.256 10.065 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.192 11.092 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.594 11.805 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.319 10.224 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.603 11.981 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.245 11.310 -0.716 1.00 0.00 H new ATOM 488 N MET A 53 6.415 12.242 -4.437 1.00 0.00 N ATOM 489 CA MET A 53 5.707 12.347 -5.715 1.00 0.00 C ATOM 490 C MET A 53 5.057 13.724 -5.881 1.00 0.00 C ATOM 491 O MET A 53 5.147 14.296 -6.964 1.00 0.00 O ATOM 492 CB MET A 53 4.706 11.194 -5.889 1.00 0.00 C ATOM 493 CG MET A 53 5.380 9.813 -5.823 1.00 0.00 C ATOM 494 SD MET A 53 6.867 9.571 -6.841 1.00 0.00 S ATOM 495 CE MET A 53 6.164 9.666 -8.507 1.00 0.00 C ATOM 0 H MET A 53 5.976 11.618 -3.760 1.00 0.00 H new ATOM 0 HA MET A 53 6.438 12.252 -6.518 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.943 11.260 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.197 11.301 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.644 9.614 -4.784 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.645 9.063 -6.114 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.321 8.718 -9.023 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.095 9.870 -8.440 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.652 10.466 -9.063 1.00 0.00 H new ATOM 505 N HIS A 54 4.511 14.317 -4.812 1.00 0.00 N ATOM 506 CA HIS A 54 4.025 15.707 -4.834 1.00 0.00 C ATOM 507 C HIS A 54 5.128 16.687 -5.255 1.00 0.00 C ATOM 508 O HIS A 54 4.936 17.459 -6.193 1.00 0.00 O ATOM 509 CB HIS A 54 3.454 16.089 -3.461 1.00 0.00 C ATOM 510 CG HIS A 54 3.012 17.531 -3.387 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.867 18.064 -3.987 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.692 18.535 -2.758 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.880 19.378 -3.700 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.962 19.687 -2.963 1.00 0.00 N ATOM 0 H HIS A 54 4.393 13.852 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 54 3.231 15.773 -5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.606 15.443 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.209 15.906 -2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.618 18.445 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.128 20.085 -4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.202 20.615 -2.615 1.00 0.00 H new ATOM 522 N TYR A 55 6.303 16.611 -4.624 1.00 0.00 N ATOM 523 CA TYR A 55 7.472 17.429 -4.963 1.00 0.00 C ATOM 524 C TYR A 55 7.966 17.214 -6.405 1.00 0.00 C ATOM 525 O TYR A 55 8.298 18.195 -7.068 1.00 0.00 O ATOM 526 CB TYR A 55 8.609 17.190 -3.960 1.00 0.00 C ATOM 527 CG TYR A 55 8.455 17.892 -2.619 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.351 19.297 -2.568 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.466 17.151 -1.421 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.215 19.956 -1.330 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.338 17.805 -0.180 1.00 0.00 C ATOM 532 CZ TYR A 55 8.204 19.209 -0.130 1.00 0.00 C ATOM 533 OH TYR A 55 8.086 19.835 1.074 1.00 0.00 O ATOM 0 H TYR A 55 6.472 15.969 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 55 7.150 18.468 -4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.694 16.118 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.546 17.513 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.376 19.871 -3.482 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.573 16.077 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.119 21.031 -1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.342 17.231 0.735 1.00 0.00 H new ATOM 0 HH TYR A 55 8.095 19.168 1.792 1.00 0.00 H new ATOM 543 N LEU A 56 7.973 15.983 -6.933 1.00 0.00 N ATOM 544 CA LEU A 56 8.360 15.729 -8.330 1.00 0.00 C ATOM 545 C LEU A 56 7.320 16.284 -9.311 1.00 0.00 C ATOM 546 O LEU A 56 7.683 16.958 -10.273 1.00 0.00 O ATOM 547 CB LEU A 56 8.597 14.223 -8.575 1.00 0.00 C ATOM 548 CG LEU A 56 10.078 13.809 -8.537 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.710 14.023 -7.166 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.210 12.329 -8.898 1.00 0.00 C ATOM 0 H LEU A 56 7.715 15.144 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 56 9.298 16.254 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.051 13.653 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.180 13.953 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 56 10.599 14.439 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.755 13.715 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.650 15.078 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.177 13.429 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.261 12.040 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.649 11.728 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.814 12.162 -9.900 1.00 0.00 H new ATOM 562 N GLY A 57 6.031 16.054 -9.056 1.00 0.00 N ATOM 563 CA GLY A 57 4.950 16.547 -9.905 1.00 0.00 C ATOM 564 C GLY A 57 4.910 18.074 -9.945 1.00 0.00 C ATOM 565 O GLY A 57 4.915 18.673 -11.023 1.00 0.00 O ATOM 0 H GLY A 57 5.708 15.518 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.077 16.160 -10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.997 16.168 -9.536 1.00 0.00 H new ATOM 569 N GLN A 58 4.990 18.720 -8.776 1.00 0.00 N ATOM 570 CA GLN A 58 5.022 20.180 -8.704 1.00 0.00 C ATOM 571 C GLN A 58 6.314 20.751 -9.316 1.00 0.00 C ATOM 572 O GLN A 58 6.226 21.740 -10.035 1.00 0.00 O ATOM 573 CB GLN A 58 4.669 20.679 -7.288 1.00 0.00 C ATOM 574 CG GLN A 58 5.743 20.506 -6.210 1.00 0.00 C ATOM 575 CD GLN A 58 6.658 21.714 -6.008 1.00 0.00 C ATOM 576 OE1 GLN A 58 7.126 22.355 -6.936 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.979 22.056 -4.779 1.00 0.00 N ATOM 0 H GLN A 58 5.034 18.253 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 58 4.233 20.588 -9.336 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.420 21.738 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.769 20.159 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.253 20.279 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.357 19.643 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.600 21.534 -3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.607 22.843 -4.616 1.00 0.00 H new ATOM 586 N TYR A 59 7.476 20.092 -9.174 1.00 0.00 N ATOM 587 CA TYR A 59 8.714 20.476 -9.873 1.00 0.00 C ATOM 588 C TYR A 59 8.548 20.443 -11.399 1.00 0.00 C ATOM 589 O TYR A 59 8.899 21.409 -12.075 1.00 0.00 O ATOM 590 CB TYR A 59 9.858 19.557 -9.421 1.00 0.00 C ATOM 591 CG TYR A 59 11.208 19.759 -10.090 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.463 19.171 -11.345 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.233 20.471 -9.434 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.721 19.323 -11.956 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.501 20.608 -10.034 1.00 0.00 C ATOM 596 CZ TYR A 59 13.745 20.044 -11.307 1.00 0.00 C ATOM 597 OH TYR A 59 14.956 20.189 -11.907 1.00 0.00 O ATOM 0 H TYR A 59 7.584 19.277 -8.570 1.00 0.00 H new ATOM 0 HA TYR A 59 8.952 21.507 -9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.990 19.683 -8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.549 18.525 -9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.690 18.602 -11.840 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.046 20.914 -8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.904 18.886 -12.926 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.286 21.144 -9.521 1.00 0.00 H new ATOM 0 HH TYR A 59 14.875 19.984 -12.862 1.00 0.00 H new ATOM 607 N ILE A 60 7.954 19.377 -11.948 1.00 0.00 N ATOM 608 CA ILE A 60 7.693 19.233 -13.390 1.00 0.00 C ATOM 609 C ILE A 60 6.766 20.362 -13.877 1.00 0.00 C ATOM 610 O ILE A 60 7.084 21.036 -14.863 1.00 0.00 O ATOM 611 CB ILE A 60 7.176 17.797 -13.677 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.312 16.770 -13.437 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.640 17.585 -15.106 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.816 15.324 -13.306 1.00 0.00 C ATOM 0 H ILE A 60 7.636 18.579 -11.399 1.00 0.00 H new ATOM 0 HA ILE A 60 8.610 19.346 -13.969 1.00 0.00 H new ATOM 0 HB ILE A 60 6.340 17.652 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.023 16.828 -14.261 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.852 17.043 -12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.300 16.555 -15.218 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.806 18.264 -15.286 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.434 17.786 -15.826 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.666 14.662 -13.140 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.128 15.250 -12.464 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.302 15.031 -14.221 1.00 0.00 H new ATOM 626 N MET A 61 5.687 20.660 -13.144 1.00 0.00 N ATOM 627 CA MET A 61 4.798 21.797 -13.435 1.00 0.00 C ATOM 628 C MET A 61 5.481 23.173 -13.278 1.00 0.00 C ATOM 629 O MET A 61 5.201 24.072 -14.070 1.00 0.00 O ATOM 630 CB MET A 61 3.536 21.727 -12.555 1.00 0.00 C ATOM 631 CG MET A 61 2.383 20.908 -13.157 1.00 0.00 C ATOM 632 SD MET A 61 2.626 19.117 -13.335 1.00 0.00 S ATOM 633 CE MET A 61 3.192 19.011 -15.052 1.00 0.00 C ATOM 0 H MET A 61 5.402 20.118 -12.328 1.00 0.00 H new ATOM 0 HA MET A 61 4.524 21.708 -14.486 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.805 21.297 -11.590 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.184 22.741 -12.365 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.500 21.067 -12.539 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.160 21.316 -14.143 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.366 17.967 -15.314 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.432 19.429 -15.712 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.119 19.573 -15.165 1.00 0.00 H new ATOM 643 N VAL A 62 6.391 23.356 -12.311 1.00 0.00 N ATOM 644 CA VAL A 62 7.076 24.628 -12.036 1.00 0.00 C ATOM 645 C VAL A 62 8.140 24.931 -13.087 1.00 0.00 C ATOM 646 O VAL A 62 8.216 26.052 -13.593 1.00 0.00 O ATOM 647 CB VAL A 62 7.663 24.572 -10.607 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.846 25.503 -10.360 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.582 24.906 -9.574 1.00 0.00 C ATOM 0 H VAL A 62 6.678 22.606 -11.683 1.00 0.00 H new ATOM 0 HA VAL A 62 6.362 25.449 -12.093 1.00 0.00 H new ATOM 0 HB VAL A 62 8.029 23.551 -10.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.188 25.392 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.658 25.248 -11.041 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.539 26.535 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.010 24.863 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.197 25.909 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.769 24.185 -9.652 1.00 0.00 H new ATOM 659 N LYS A 63 8.935 23.920 -13.448 1.00 0.00 N ATOM 660 CA LYS A 63 9.971 24.012 -14.484 1.00 0.00 C ATOM 661 C LYS A 63 9.398 23.861 -15.906 1.00 0.00 C ATOM 662 O LYS A 63 10.076 24.236 -16.861 1.00 0.00 O ATOM 663 CB LYS A 63 11.082 22.992 -14.169 1.00 0.00 C ATOM 664 CG LYS A 63 11.781 23.165 -12.804 1.00 0.00 C ATOM 665 CD LYS A 63 12.499 24.507 -12.590 1.00 0.00 C ATOM 666 CE LYS A 63 13.618 24.734 -13.617 1.00 0.00 C ATOM 667 NZ LYS A 63 14.370 25.991 -13.346 1.00 0.00 N ATOM 0 H LYS A 63 8.876 22.996 -13.021 1.00 0.00 H new ATOM 0 HA LYS A 63 10.404 25.012 -14.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.654 21.991 -14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.837 23.051 -14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.037 23.042 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.508 22.362 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.775 25.319 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.919 24.537 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.305 23.888 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.190 24.775 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.117 26.110 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.719 26.801 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.800 25.941 -12.400 1.00 0.00 H new ATOM 681 N GLN A 64 8.155 23.370 -16.053 1.00 0.00 N ATOM 682 CA GLN A 64 7.435 23.200 -17.331 1.00 0.00 C ATOM 683 C GLN A 64 8.032 22.090 -18.213 1.00 0.00 C ATOM 684 O GLN A 64 8.298 22.253 -19.405 1.00 0.00 O ATOM 685 CB GLN A 64 7.178 24.540 -18.047 1.00 0.00 C ATOM 686 CG GLN A 64 6.543 25.567 -17.101 1.00 0.00 C ATOM 687 CD GLN A 64 6.141 26.849 -17.829 1.00 0.00 C ATOM 688 OE1 GLN A 64 4.987 27.066 -18.177 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.069 27.745 -18.101 1.00 0.00 N ATOM 0 H GLN A 64 7.600 23.068 -15.252 1.00 0.00 H new ATOM 0 HA GLN A 64 6.439 22.830 -17.088 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.118 24.933 -18.435 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.523 24.377 -18.903 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.664 25.129 -16.628 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.247 25.809 -16.304 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.035 27.580 -17.818 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.821 28.603 -18.594 1.00 0.00 H new ATOM 698 N LEU A 65 8.229 20.933 -17.579 1.00 0.00 N ATOM 699 CA LEU A 65 8.834 19.710 -18.119 1.00 0.00 C ATOM 700 C LEU A 65 7.778 18.769 -18.727 1.00 0.00 C ATOM 701 O LEU A 65 7.845 17.559 -18.550 1.00 0.00 O ATOM 702 CB LEU A 65 9.640 19.057 -16.975 1.00 0.00 C ATOM 703 CG LEU A 65 11.066 19.579 -16.725 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.324 21.041 -17.057 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.418 19.326 -15.259 1.00 0.00 C ATOM 0 H LEU A 65 7.951 20.816 -16.605 1.00 0.00 H new ATOM 0 HA LEU A 65 9.503 19.943 -18.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.072 19.175 -16.052 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.703 17.987 -17.176 1.00 0.00 H new ATOM 0 HG LEU A 65 11.700 19.030 -17.421 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.363 21.286 -16.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.126 21.214 -18.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.668 21.672 -16.457 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.426 19.689 -15.059 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.710 19.852 -14.619 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.369 18.257 -15.052 1.00 0.00 H new ATOM 717 N TYR A 66 6.758 19.296 -19.400 1.00 0.00 N ATOM 718 CA TYR A 66 5.656 18.493 -19.952 1.00 0.00 C ATOM 719 C TYR A 66 5.051 19.113 -21.230 1.00 0.00 C ATOM 720 O TYR A 66 5.294 20.284 -21.537 1.00 0.00 O ATOM 721 CB TYR A 66 4.579 18.316 -18.863 1.00 0.00 C ATOM 722 CG TYR A 66 3.822 19.584 -18.491 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.413 20.564 -17.665 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.514 19.781 -18.973 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.705 21.739 -17.338 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.802 20.951 -18.648 1.00 0.00 C ATOM 727 CZ TYR A 66 2.396 21.936 -17.832 1.00 0.00 C ATOM 728 OH TYR A 66 1.699 23.066 -17.525 1.00 0.00 O ATOM 0 H TYR A 66 6.667 20.296 -19.582 1.00 0.00 H new ATOM 0 HA TYR A 66 6.054 17.522 -20.248 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.861 17.569 -19.202 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.053 17.918 -17.966 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.411 20.413 -17.282 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.054 19.029 -19.597 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.163 22.488 -16.710 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.800 21.095 -19.024 1.00 0.00 H new ATOM 0 HH TYR A 66 0.817 23.033 -17.951 1.00 0.00 H new ATOM 738 N ASP A 67 4.254 18.342 -21.980 1.00 0.00 N ATOM 739 CA ASP A 67 3.523 18.831 -23.164 1.00 0.00 C ATOM 740 C ASP A 67 2.136 19.395 -22.802 1.00 0.00 C ATOM 741 O ASP A 67 1.402 18.799 -22.015 1.00 0.00 O ATOM 742 CB ASP A 67 3.380 17.712 -24.198 1.00 0.00 C ATOM 743 CG ASP A 67 2.800 18.249 -25.513 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.556 18.304 -25.633 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.586 18.658 -26.401 1.00 0.00 O ATOM 0 H ASP A 67 4.095 17.354 -21.784 1.00 0.00 H new ATOM 0 HA ASP A 67 4.107 19.648 -23.588 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.353 17.258 -24.384 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.733 16.929 -23.804 1.00 0.00 H new ATOM 750 N GLN A 68 1.736 20.521 -23.405 1.00 0.00 N ATOM 751 CA GLN A 68 0.475 21.193 -23.078 1.00 0.00 C ATOM 752 C GLN A 68 -0.806 20.454 -23.512 1.00 0.00 C ATOM 753 O GLN A 68 -1.875 20.726 -22.960 1.00 0.00 O ATOM 754 CB GLN A 68 0.523 22.631 -23.619 1.00 0.00 C ATOM 755 CG GLN A 68 0.436 22.725 -25.153 1.00 0.00 C ATOM 756 CD GLN A 68 0.507 24.172 -25.638 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.562 24.695 -25.978 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.602 24.884 -25.680 1.00 0.00 N ATOM 0 H GLN A 68 2.277 20.990 -24.132 1.00 0.00 H new ATOM 0 HA GLN A 68 0.398 21.196 -21.991 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.298 23.200 -23.183 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.448 23.102 -23.288 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.249 22.152 -25.599 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.496 22.273 -25.493 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.489 24.464 -25.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.573 25.855 -25.992 1.00 0.00 H new ATOM 767 N GLN A 69 -0.715 19.521 -24.464 1.00 0.00 N ATOM 768 CA GLN A 69 -1.821 18.674 -24.929 1.00 0.00 C ATOM 769 C GLN A 69 -1.676 17.229 -24.427 1.00 0.00 C ATOM 770 O GLN A 69 -2.676 16.575 -24.124 1.00 0.00 O ATOM 771 CB GLN A 69 -1.887 18.766 -26.464 1.00 0.00 C ATOM 772 CG GLN A 69 -3.122 18.083 -27.075 1.00 0.00 C ATOM 773 CD GLN A 69 -2.847 16.685 -27.635 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.509 16.507 -28.799 1.00 0.00 O ATOM 775 NE2 GLN A 69 -2.990 15.638 -26.849 1.00 0.00 N ATOM 0 H GLN A 69 0.160 19.327 -24.950 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.764 19.030 -24.514 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.883 19.816 -26.756 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.989 18.314 -26.885 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.899 18.012 -26.314 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.515 18.712 -27.874 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.271 15.765 -25.877 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.820 14.700 -27.213 1.00 0.00 H new ATOM 784 N GLU A 70 -0.444 16.739 -24.287 1.00 0.00 N ATOM 785 CA GLU A 70 -0.112 15.439 -23.681 1.00 0.00 C ATOM 786 C GLU A 70 0.375 15.647 -22.240 1.00 0.00 C ATOM 787 O GLU A 70 1.524 15.374 -21.901 1.00 0.00 O ATOM 788 CB GLU A 70 0.858 14.631 -24.564 1.00 0.00 C ATOM 789 CG GLU A 70 0.223 14.224 -25.899 1.00 0.00 C ATOM 790 CD GLU A 70 1.127 13.230 -26.652 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.972 11.999 -26.457 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.990 13.666 -27.454 1.00 0.00 O ATOM 0 H GLU A 70 0.381 17.249 -24.601 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.010 14.824 -23.624 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.753 15.224 -24.755 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.176 13.737 -24.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.753 13.772 -25.720 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.057 15.109 -26.513 1.00 0.00 H new ATOM 799 N GLN A 71 -0.507 16.162 -21.376 1.00 0.00 N ATOM 800 CA GLN A 71 -0.142 16.593 -20.017 1.00 0.00 C ATOM 801 C GLN A 71 0.292 15.427 -19.108 1.00 0.00 C ATOM 802 O GLN A 71 1.048 15.631 -18.159 1.00 0.00 O ATOM 803 CB GLN A 71 -1.293 17.406 -19.399 1.00 0.00 C ATOM 804 CG GLN A 71 -1.573 18.692 -20.201 1.00 0.00 C ATOM 805 CD GLN A 71 -2.689 19.568 -19.626 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.198 19.377 -18.528 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.113 20.578 -20.358 1.00 0.00 N ATOM 0 H GLN A 71 -1.494 16.293 -21.597 1.00 0.00 H new ATOM 0 HA GLN A 71 0.736 17.234 -20.101 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.194 16.794 -19.365 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.045 17.665 -18.370 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.657 19.280 -20.252 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.834 18.418 -21.223 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.701 20.752 -21.275 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.854 21.186 -20.008 1.00 0.00 H new ATOM 816 N HIS A 72 -0.110 14.195 -19.447 1.00 0.00 N ATOM 817 CA HIS A 72 0.357 12.941 -18.839 1.00 0.00 C ATOM 818 C HIS A 72 1.806 12.566 -19.207 1.00 0.00 C ATOM 819 O HIS A 72 2.364 11.642 -18.613 1.00 0.00 O ATOM 820 CB HIS A 72 -0.586 11.820 -19.301 1.00 0.00 C ATOM 821 CG HIS A 72 -0.569 11.617 -20.800 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.428 12.239 -21.709 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.326 10.853 -21.492 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.034 11.835 -22.929 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.017 11.003 -22.828 1.00 0.00 N ATOM 0 H HIS A 72 -0.798 14.038 -20.183 1.00 0.00 H new ATOM 0 HA HIS A 72 0.347 13.077 -17.758 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.303 10.889 -18.810 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.602 12.052 -18.982 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.119 10.250 -21.076 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.496 12.136 -23.858 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.503 10.558 -23.607 1.00 0.00 H new ATOM 833 N MET A 73 2.392 13.228 -20.209 1.00 0.00 N ATOM 834 CA MET A 73 3.703 12.935 -20.783 1.00 0.00 C ATOM 835 C MET A 73 4.736 13.978 -20.337 1.00 0.00 C ATOM 836 O MET A 73 4.527 15.188 -20.470 1.00 0.00 O ATOM 837 CB MET A 73 3.581 12.868 -22.315 1.00 0.00 C ATOM 838 CG MET A 73 4.843 12.350 -22.971 1.00 0.00 C ATOM 839 SD MET A 73 5.184 10.619 -22.602 1.00 0.00 S ATOM 840 CE MET A 73 6.877 10.704 -23.173 1.00 0.00 C ATOM 0 H MET A 73 1.940 14.022 -20.662 1.00 0.00 H new ATOM 0 HA MET A 73 4.054 11.968 -20.422 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.744 12.223 -22.582 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.354 13.861 -22.703 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.759 12.474 -24.051 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.688 12.956 -22.645 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.999 10.065 -24.047 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.120 11.733 -23.439 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.545 10.366 -22.381 1.00 0.00 H new ATOM 850 N VAL A 74 5.868 13.505 -19.818 1.00 0.00 N ATOM 851 CA VAL A 74 6.945 14.327 -19.263 1.00 0.00 C ATOM 852 C VAL A 74 8.056 14.461 -20.301 1.00 0.00 C ATOM 853 O VAL A 74 8.421 13.490 -20.963 1.00 0.00 O ATOM 854 CB VAL A 74 7.434 13.743 -17.922 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.564 14.572 -17.307 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.282 13.714 -16.907 1.00 0.00 C ATOM 0 H VAL A 74 6.068 12.506 -19.770 1.00 0.00 H new ATOM 0 HA VAL A 74 6.581 15.330 -19.040 1.00 0.00 H new ATOM 0 HB VAL A 74 7.800 12.739 -18.137 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.874 14.121 -16.364 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.411 14.598 -17.993 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.213 15.588 -17.125 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.638 13.300 -15.964 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.916 14.728 -16.743 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.473 13.094 -17.293 1.00 0.00 H new ATOM 866 N TYR A 75 8.588 15.674 -20.426 1.00 0.00 N ATOM 867 CA TYR A 75 9.604 16.104 -21.383 1.00 0.00 C ATOM 868 C TYR A 75 10.696 16.929 -20.686 1.00 0.00 C ATOM 869 O TYR A 75 10.888 18.123 -20.910 1.00 0.00 O ATOM 870 CB TYR A 75 8.937 16.820 -22.566 1.00 0.00 C ATOM 871 CG TYR A 75 8.292 15.841 -23.525 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.096 14.857 -24.130 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.911 15.887 -23.792 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.523 13.913 -24.997 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.337 14.960 -24.685 1.00 0.00 C ATOM 876 CZ TYR A 75 7.144 13.969 -25.293 1.00 0.00 C ATOM 877 OH TYR A 75 6.606 13.069 -26.164 1.00 0.00 O ATOM 0 H TYR A 75 8.299 16.439 -19.816 1.00 0.00 H new ATOM 0 HA TYR A 75 10.117 15.236 -21.797 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.183 17.513 -22.193 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.681 17.413 -23.098 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.156 14.828 -23.927 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.292 16.631 -23.313 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.138 13.143 -25.438 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.281 15.006 -24.905 1.00 0.00 H new ATOM 0 HH TYR A 75 5.646 13.240 -26.260 1.00 0.00 H new ATOM 887 N CYS A 76 11.443 16.228 -19.839 1.00 0.00 N ATOM 888 CA CYS A 76 12.689 16.660 -19.182 1.00 0.00 C ATOM 889 C CYS A 76 13.914 16.687 -20.134 1.00 0.00 C ATOM 890 O CYS A 76 15.034 16.420 -19.697 1.00 0.00 O ATOM 891 CB CYS A 76 12.951 15.753 -17.962 1.00 0.00 C ATOM 892 SG CYS A 76 11.654 15.910 -16.706 1.00 0.00 S ATOM 0 H CYS A 76 11.184 15.279 -19.570 1.00 0.00 H new ATOM 0 HA CYS A 76 12.553 17.693 -18.861 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.015 14.715 -18.289 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.915 16.008 -17.521 1.00 0.00 H new ATOM 0 HG CYS A 76 11.922 15.125 -15.705 1.00 0.00 H new ATOM 898 N GLY A 77 13.714 17.008 -21.421 1.00 0.00 N ATOM 899 CA GLY A 77 14.676 16.887 -22.537 1.00 0.00 C ATOM 900 C GLY A 77 16.106 17.389 -22.291 1.00 0.00 C ATOM 901 O GLY A 77 17.058 16.806 -22.814 1.00 0.00 O ATOM 0 H GLY A 77 12.819 17.384 -21.735 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.732 15.836 -22.822 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.271 17.428 -23.392 1.00 0.00 H new ATOM 905 N GLY A 78 16.263 18.432 -21.470 1.00 0.00 N ATOM 906 CA GLY A 78 17.557 18.948 -21.005 1.00 0.00 C ATOM 907 C GLY A 78 17.583 19.304 -19.513 1.00 0.00 C ATOM 908 O GLY A 78 18.402 20.131 -19.106 1.00 0.00 O ATOM 0 H GLY A 78 15.471 18.957 -21.099 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.327 18.203 -21.204 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.813 19.835 -21.585 1.00 0.00 H new ATOM 912 N ASP A 79 16.678 18.743 -18.698 1.00 0.00 N ATOM 913 CA ASP A 79 16.562 19.105 -17.276 1.00 0.00 C ATOM 914 C ASP A 79 17.424 18.237 -16.356 1.00 0.00 C ATOM 915 O ASP A 79 17.580 17.035 -16.576 1.00 0.00 O ATOM 916 CB ASP A 79 15.104 19.085 -16.798 1.00 0.00 C ATOM 917 CG ASP A 79 14.990 19.868 -15.478 1.00 0.00 C ATOM 918 OD1 ASP A 79 14.952 21.119 -15.528 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.009 19.229 -14.400 1.00 0.00 O ATOM 0 H ASP A 79 16.012 18.033 -19.001 1.00 0.00 H new ATOM 0 HA ASP A 79 16.942 20.124 -17.210 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.455 19.528 -17.554 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.771 18.057 -16.654 1.00 0.00 H new ATOM 924 N LEU A 80 17.894 18.843 -15.262 1.00 0.00 N ATOM 925 CA LEU A 80 18.574 18.182 -14.151 1.00 0.00 C ATOM 926 C LEU A 80 17.847 16.910 -13.679 1.00 0.00 C ATOM 927 O LEU A 80 18.501 15.889 -13.483 1.00 0.00 O ATOM 928 CB LEU A 80 18.679 19.221 -13.017 1.00 0.00 C ATOM 929 CG LEU A 80 19.453 18.750 -11.776 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.952 18.624 -12.058 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.270 19.748 -10.632 1.00 0.00 C ATOM 0 H LEU A 80 17.806 19.850 -15.123 1.00 0.00 H new ATOM 0 HA LEU A 80 19.559 17.842 -14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.160 20.117 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.672 19.507 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 80 19.056 17.772 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.465 18.289 -11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.112 17.900 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.348 19.593 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.823 19.404 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.645 20.725 -10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.212 19.827 -10.384 1.00 0.00 H new ATOM 943 N LEU A 81 16.512 16.931 -13.560 1.00 0.00 N ATOM 944 CA LEU A 81 15.714 15.751 -13.209 1.00 0.00 C ATOM 945 C LEU A 81 15.857 14.642 -14.263 1.00 0.00 C ATOM 946 O LEU A 81 16.161 13.509 -13.906 1.00 0.00 O ATOM 947 CB LEU A 81 14.248 16.181 -12.982 1.00 0.00 C ATOM 948 CG LEU A 81 13.216 15.044 -12.828 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.538 14.052 -11.708 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.837 15.636 -12.542 1.00 0.00 C ATOM 0 H LEU A 81 15.954 17.772 -13.706 1.00 0.00 H new ATOM 0 HA LEU A 81 16.087 15.320 -12.280 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.209 16.802 -12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.942 16.809 -13.819 1.00 0.00 H new ATOM 0 HG LEU A 81 13.243 14.496 -13.770 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.764 13.286 -11.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.503 13.584 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.577 14.579 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.111 14.831 -12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.874 16.217 -11.621 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.541 16.283 -13.367 1.00 0.00 H new ATOM 962 N GLY A 82 15.692 14.943 -15.555 1.00 0.00 N ATOM 963 CA GLY A 82 15.804 13.931 -16.619 1.00 0.00 C ATOM 964 C GLY A 82 17.211 13.325 -16.714 1.00 0.00 C ATOM 965 O GLY A 82 17.367 12.112 -16.879 1.00 0.00 O ATOM 0 H GLY A 82 15.480 15.881 -15.893 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.082 13.135 -16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.543 14.384 -17.575 1.00 0.00 H new ATOM 969 N GLU A 83 18.245 14.156 -16.565 1.00 0.00 N ATOM 970 CA GLU A 83 19.656 13.740 -16.580 1.00 0.00 C ATOM 971 C GLU A 83 19.981 12.797 -15.418 1.00 0.00 C ATOM 972 O GLU A 83 20.523 11.709 -15.622 1.00 0.00 O ATOM 973 CB GLU A 83 20.553 14.977 -16.442 1.00 0.00 C ATOM 974 CG GLU A 83 20.479 15.945 -17.619 1.00 0.00 C ATOM 975 CD GLU A 83 21.474 15.571 -18.733 1.00 0.00 C ATOM 976 OE1 GLU A 83 21.192 14.633 -19.518 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.551 16.211 -18.835 1.00 0.00 O ATOM 0 H GLU A 83 18.126 15.160 -16.427 1.00 0.00 H new ATOM 0 HA GLU A 83 19.834 13.221 -17.522 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.278 15.510 -15.532 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.586 14.650 -16.321 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.467 15.949 -18.023 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.687 16.957 -17.271 1.00 0.00 H new ATOM 984 N LEU A 84 19.631 13.216 -14.197 1.00 0.00 N ATOM 985 CA LEU A 84 19.949 12.479 -12.967 1.00 0.00 C ATOM 986 C LEU A 84 19.047 11.249 -12.750 1.00 0.00 C ATOM 987 O LEU A 84 19.499 10.275 -12.144 1.00 0.00 O ATOM 988 CB LEU A 84 19.937 13.445 -11.767 1.00 0.00 C ATOM 989 CG LEU A 84 21.268 14.196 -11.533 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.838 14.904 -12.765 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.085 15.252 -10.445 1.00 0.00 C ATOM 0 H LEU A 84 19.116 14.081 -14.032 1.00 0.00 H new ATOM 0 HA LEU A 84 20.954 12.069 -13.069 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.143 14.177 -11.914 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.689 12.883 -10.867 1.00 0.00 H new ATOM 0 HG LEU A 84 21.977 13.418 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.771 15.401 -12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.027 14.172 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 84 21.122 15.644 -13.123 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.027 15.777 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.320 15.964 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.777 14.769 -9.517 1.00 0.00 H new ATOM 1003 N LEU A 85 17.814 11.243 -13.280 1.00 0.00 N ATOM 1004 CA LEU A 85 16.966 10.042 -13.321 1.00 0.00 C ATOM 1005 C LEU A 85 17.420 9.068 -14.420 1.00 0.00 C ATOM 1006 O LEU A 85 17.303 7.854 -14.251 1.00 0.00 O ATOM 1007 CB LEU A 85 15.472 10.434 -13.373 1.00 0.00 C ATOM 1008 CG LEU A 85 14.729 10.449 -14.722 1.00 0.00 C ATOM 1009 CD1 LEU A 85 14.174 9.072 -15.104 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.512 11.372 -14.642 1.00 0.00 C ATOM 0 H LEU A 85 17.378 12.068 -13.691 1.00 0.00 H new ATOM 0 HA LEU A 85 17.088 9.481 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.934 9.753 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.383 11.431 -12.942 1.00 0.00 H new ATOM 0 HG LEU A 85 15.461 10.779 -15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.660 9.140 -16.063 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.994 8.358 -15.182 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.473 8.738 -14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.994 11.375 -15.601 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.835 11.015 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.838 12.384 -14.402 1.00 0.00 H new ATOM 1022 N GLY A 86 17.974 9.590 -15.522 1.00 0.00 N ATOM 1023 CA GLY A 86 18.551 8.792 -16.610 1.00 0.00 C ATOM 1024 C GLY A 86 17.587 8.535 -17.772 1.00 0.00 C ATOM 1025 O GLY A 86 17.955 7.852 -18.731 1.00 0.00 O ATOM 0 H GLY A 86 18.035 10.595 -15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.436 9.302 -16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.883 7.835 -16.208 1.00 0.00 H new ATOM 1029 N ARG A 87 16.373 9.104 -17.716 1.00 0.00 N ATOM 1030 CA ARG A 87 15.413 9.140 -18.832 1.00 0.00 C ATOM 1031 C ARG A 87 14.842 10.552 -18.946 1.00 0.00 C ATOM 1032 O ARG A 87 14.298 11.078 -17.981 1.00 0.00 O ATOM 1033 CB ARG A 87 14.310 8.072 -18.631 1.00 0.00 C ATOM 1034 CG ARG A 87 13.913 7.358 -19.932 1.00 0.00 C ATOM 1035 CD ARG A 87 14.920 6.262 -20.306 1.00 0.00 C ATOM 1036 NE ARG A 87 14.547 5.606 -21.576 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.243 4.687 -22.225 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.387 4.242 -21.785 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.797 4.192 -23.344 1.00 0.00 N ATOM 0 H ARG A 87 16.023 9.562 -16.875 1.00 0.00 H new ATOM 0 HA ARG A 87 15.914 8.898 -19.769 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.657 7.332 -17.910 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.428 8.547 -18.201 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.922 6.919 -19.819 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.849 8.085 -20.741 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.916 6.695 -20.396 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.966 5.519 -19.510 1.00 0.00 H new ATOM 0 HE ARG A 87 13.662 5.891 -21.996 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.773 4.603 -20.913 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.895 3.533 -22.313 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.907 4.513 -23.725 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.338 3.484 -23.840 1.00 0.00 H new ATOM 1053 N GLN A 88 14.970 11.176 -20.114 1.00 0.00 N ATOM 1054 CA GLN A 88 14.537 12.566 -20.330 1.00 0.00 C ATOM 1055 C GLN A 88 13.052 12.680 -20.730 1.00 0.00 C ATOM 1056 O GLN A 88 12.531 13.785 -20.858 1.00 0.00 O ATOM 1057 CB GLN A 88 15.488 13.267 -21.314 1.00 0.00 C ATOM 1058 CG GLN A 88 16.913 13.493 -20.767 1.00 0.00 C ATOM 1059 CD GLN A 88 17.802 12.248 -20.826 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.198 11.792 -21.891 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.133 11.619 -19.714 1.00 0.00 N ATOM 0 H GLN A 88 15.376 10.738 -20.941 1.00 0.00 H new ATOM 0 HA GLN A 88 14.601 13.091 -19.377 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.551 12.673 -22.226 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.060 14.231 -21.590 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.387 14.294 -21.334 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.846 13.831 -19.733 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.817 11.976 -18.812 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.705 10.775 -19.756 1.00 0.00 H new ATOM 1070 N SER A 89 12.347 11.556 -20.878 1.00 0.00 N ATOM 1071 CA SER A 89 10.896 11.500 -21.101 1.00 0.00 C ATOM 1072 C SER A 89 10.288 10.197 -20.563 1.00 0.00 C ATOM 1073 O SER A 89 10.909 9.132 -20.615 1.00 0.00 O ATOM 1074 CB SER A 89 10.579 11.692 -22.593 1.00 0.00 C ATOM 1075 OG SER A 89 11.181 10.684 -23.395 1.00 0.00 O ATOM 0 H SER A 89 12.780 10.633 -20.846 1.00 0.00 H new ATOM 0 HA SER A 89 10.437 12.316 -20.543 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.499 11.677 -22.740 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.931 12.672 -22.916 1.00 0.00 H new ATOM 0 HG SER A 89 10.956 10.837 -24.336 1.00 0.00 H new ATOM 1081 N PHE A 90 9.081 10.299 -20.001 1.00 0.00 N ATOM 1082 CA PHE A 90 8.296 9.191 -19.436 1.00 0.00 C ATOM 1083 C PHE A 90 6.810 9.587 -19.331 1.00 0.00 C ATOM 1084 O PHE A 90 6.471 10.763 -19.464 1.00 0.00 O ATOM 1085 CB PHE A 90 8.877 8.768 -18.068 1.00 0.00 C ATOM 1086 CG PHE A 90 8.885 9.837 -16.987 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.772 9.975 -16.135 1.00 0.00 C ATOM 1088 CD2 PHE A 90 10.003 10.683 -16.816 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.765 10.962 -15.134 1.00 0.00 C ATOM 1090 CE2 PHE A 90 9.991 11.671 -15.815 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.870 11.815 -14.979 1.00 0.00 C ATOM 0 H PHE A 90 8.600 11.195 -19.922 1.00 0.00 H new ATOM 0 HA PHE A 90 8.359 8.330 -20.101 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.307 7.914 -17.702 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.901 8.426 -18.221 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.921 9.320 -16.251 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.867 10.571 -17.454 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.909 11.064 -14.483 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.845 12.320 -15.688 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.858 12.581 -14.218 1.00 0.00 H new ATOM 1101 N SER A 91 5.919 8.621 -19.094 1.00 0.00 N ATOM 1102 CA SER A 91 4.462 8.834 -19.022 1.00 0.00 C ATOM 1103 C SER A 91 3.875 8.379 -17.689 1.00 0.00 C ATOM 1104 O SER A 91 4.349 7.424 -17.077 1.00 0.00 O ATOM 1105 CB SER A 91 3.779 8.103 -20.184 1.00 0.00 C ATOM 1106 OG SER A 91 2.365 8.163 -20.075 1.00 0.00 O ATOM 0 H SER A 91 6.190 7.649 -18.943 1.00 0.00 H new ATOM 0 HA SER A 91 4.278 9.905 -19.100 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.092 8.547 -21.129 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.100 7.062 -20.200 1.00 0.00 H new ATOM 0 HG SER A 91 1.958 7.690 -20.831 1.00 0.00 H new ATOM 1112 N VAL A 92 2.779 9.017 -17.278 1.00 0.00 N ATOM 1113 CA VAL A 92 1.940 8.585 -16.149 1.00 0.00 C ATOM 1114 C VAL A 92 1.313 7.199 -16.408 1.00 0.00 C ATOM 1115 O VAL A 92 1.085 6.443 -15.462 1.00 0.00 O ATOM 1116 CB VAL A 92 0.878 9.671 -15.885 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.217 9.233 -14.913 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.542 10.929 -15.310 1.00 0.00 C ATOM 0 H VAL A 92 2.438 9.867 -17.727 1.00 0.00 H new ATOM 0 HA VAL A 92 2.554 8.468 -15.256 1.00 0.00 H new ATOM 0 HB VAL A 92 0.412 9.868 -16.851 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.928 10.047 -14.775 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.735 8.363 -15.317 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.230 8.976 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.783 11.690 -15.127 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.041 10.681 -14.373 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.275 11.311 -16.021 1.00 0.00 H new ATOM 1128 N LYS A 93 1.091 6.822 -17.681 1.00 0.00 N ATOM 1129 CA LYS A 93 0.637 5.469 -18.078 1.00 0.00 C ATOM 1130 C LYS A 93 1.776 4.446 -18.166 1.00 0.00 C ATOM 1131 O LYS A 93 1.530 3.243 -18.068 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.098 5.510 -19.427 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.278 6.489 -19.458 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.075 6.312 -20.762 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.043 7.476 -21.007 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.314 8.711 -21.414 1.00 0.00 N ATOM 0 H LYS A 93 1.222 7.451 -18.473 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.040 5.145 -17.287 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.611 5.784 -20.208 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.461 4.510 -19.663 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.927 6.316 -18.599 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.913 7.513 -19.381 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.384 6.233 -21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.635 5.378 -20.721 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.757 7.200 -21.783 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.616 7.672 -20.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.998 9.433 -21.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.765 9.072 -20.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.670 8.491 -22.200 1.00 0.00 H new ATOM 1150 N ASP A 94 3.010 4.919 -18.353 1.00 0.00 N ATOM 1151 CA ASP A 94 4.223 4.095 -18.499 1.00 0.00 C ATOM 1152 C ASP A 94 5.379 4.564 -17.575 1.00 0.00 C ATOM 1153 O ASP A 94 6.428 5.002 -18.060 1.00 0.00 O ATOM 1154 CB ASP A 94 4.601 4.043 -19.991 1.00 0.00 C ATOM 1155 CG ASP A 94 5.694 3.004 -20.297 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.562 1.837 -19.857 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.662 3.331 -21.026 1.00 0.00 O ATOM 0 H ASP A 94 3.204 5.919 -18.410 1.00 0.00 H new ATOM 0 HA ASP A 94 4.018 3.079 -18.162 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.712 3.811 -20.578 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.944 5.028 -20.308 1.00 0.00 H new ATOM 1162 N PRO A 95 5.216 4.491 -16.234 1.00 0.00 N ATOM 1163 CA PRO A 95 6.180 4.984 -15.239 1.00 0.00 C ATOM 1164 C PRO A 95 7.370 4.027 -15.002 1.00 0.00 C ATOM 1165 O PRO A 95 7.959 4.009 -13.921 1.00 0.00 O ATOM 1166 CB PRO A 95 5.335 5.219 -13.980 1.00 0.00 C ATOM 1167 CG PRO A 95 4.319 4.083 -14.057 1.00 0.00 C ATOM 1168 CD PRO A 95 4.016 4.020 -15.550 1.00 0.00 C ATOM 0 HA PRO A 95 6.675 5.894 -15.577 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.935 5.168 -13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.854 6.197 -13.989 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.730 3.144 -13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.426 4.295 -13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.770 3.003 -15.854 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.157 4.643 -15.799 1.00 0.00 H new ATOM 1176 N SER A 96 7.749 3.215 -15.991 1.00 0.00 N ATOM 1177 CA SER A 96 8.804 2.195 -15.864 1.00 0.00 C ATOM 1178 C SER A 96 10.183 2.769 -15.485 1.00 0.00 C ATOM 1179 O SER A 96 10.744 2.307 -14.486 1.00 0.00 O ATOM 1180 CB SER A 96 8.891 1.338 -17.134 1.00 0.00 C ATOM 1181 OG SER A 96 7.666 0.646 -17.329 1.00 0.00 O ATOM 0 H SER A 96 7.328 3.244 -16.919 1.00 0.00 H new ATOM 0 HA SER A 96 8.509 1.561 -15.028 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.105 1.969 -17.997 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.712 0.626 -17.049 1.00 0.00 H new ATOM 0 HG SER A 96 7.724 0.101 -18.141 1.00 0.00 H new ATOM 1187 N PRO A 97 10.728 3.805 -16.166 1.00 0.00 N ATOM 1188 CA PRO A 97 11.973 4.456 -15.733 1.00 0.00 C ATOM 1189 C PRO A 97 11.818 5.217 -14.403 1.00 0.00 C ATOM 1190 O PRO A 97 12.801 5.414 -13.693 1.00 0.00 O ATOM 1191 CB PRO A 97 12.358 5.403 -16.876 1.00 0.00 C ATOM 1192 CG PRO A 97 11.014 5.750 -17.508 1.00 0.00 C ATOM 1193 CD PRO A 97 10.252 4.433 -17.397 1.00 0.00 C ATOM 0 HA PRO A 97 12.746 3.713 -15.537 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.871 6.291 -16.508 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.027 4.922 -17.590 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.511 6.557 -16.976 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.123 6.071 -18.544 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.176 4.605 -17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.442 3.796 -18.261 1.00 0.00 H new ATOM 1201 N LEU A 98 10.595 5.627 -14.041 1.00 0.00 N ATOM 1202 CA LEU A 98 10.309 6.400 -12.829 1.00 0.00 C ATOM 1203 C LEU A 98 10.431 5.521 -11.574 1.00 0.00 C ATOM 1204 O LEU A 98 11.223 5.823 -10.682 1.00 0.00 O ATOM 1205 CB LEU A 98 8.919 7.051 -12.992 1.00 0.00 C ATOM 1206 CG LEU A 98 8.498 8.021 -11.878 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.389 9.260 -11.858 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.054 8.457 -12.133 1.00 0.00 C ATOM 0 H LEU A 98 9.762 5.426 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 98 11.043 7.194 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.899 7.587 -13.941 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.174 6.259 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 98 8.592 7.513 -10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.066 9.927 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.423 8.962 -11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.315 9.777 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.739 9.147 -11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.989 8.953 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.404 7.582 -12.129 1.00 0.00 H new ATOM 1220 N TYR A 99 9.732 4.385 -11.526 1.00 0.00 N ATOM 1221 CA TYR A 99 9.891 3.429 -10.422 1.00 0.00 C ATOM 1222 C TYR A 99 11.317 2.864 -10.352 1.00 0.00 C ATOM 1223 O TYR A 99 11.881 2.754 -9.264 1.00 0.00 O ATOM 1224 CB TYR A 99 8.856 2.305 -10.547 1.00 0.00 C ATOM 1225 CG TYR A 99 7.473 2.709 -10.067 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.238 2.879 -8.688 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.428 2.922 -10.988 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.965 3.269 -8.228 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.151 3.307 -10.531 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.917 3.484 -9.149 1.00 0.00 C ATOM 1231 OH TYR A 99 3.685 3.854 -8.696 1.00 0.00 O ATOM 0 H TYR A 99 9.053 4.103 -12.233 1.00 0.00 H new ATOM 0 HA TYR A 99 9.719 3.963 -9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.794 1.991 -11.589 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.195 1.442 -9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.037 2.710 -7.981 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.605 2.790 -12.045 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.791 3.404 -7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.351 3.467 -11.238 1.00 0.00 H new ATOM 0 HH TYR A 99 3.076 3.963 -9.456 1.00 0.00 H new ATOM 1241 N ASP A 100 11.934 2.571 -11.499 1.00 0.00 N ATOM 1242 CA ASP A 100 13.297 2.035 -11.568 1.00 0.00 C ATOM 1243 C ASP A 100 14.350 3.013 -11.028 1.00 0.00 C ATOM 1244 O ASP A 100 15.202 2.620 -10.229 1.00 0.00 O ATOM 1245 CB ASP A 100 13.590 1.693 -13.033 1.00 0.00 C ATOM 1246 CG ASP A 100 14.948 1.007 -13.231 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.149 -0.113 -12.706 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.822 1.583 -13.923 1.00 0.00 O ATOM 0 H ASP A 100 11.500 2.700 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 100 13.357 1.150 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.802 1.042 -13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.562 2.607 -13.626 1.00 0.00 H new ATOM 1253 N MET A 101 14.270 4.295 -11.403 1.00 0.00 N ATOM 1254 CA MET A 101 15.167 5.325 -10.856 1.00 0.00 C ATOM 1255 C MET A 101 14.909 5.557 -9.365 1.00 0.00 C ATOM 1256 O MET A 101 15.863 5.652 -8.595 1.00 0.00 O ATOM 1257 CB MET A 101 15.120 6.630 -11.677 1.00 0.00 C ATOM 1258 CG MET A 101 14.029 7.630 -11.272 1.00 0.00 C ATOM 1259 SD MET A 101 14.523 8.828 -10.004 1.00 0.00 S ATOM 1260 CE MET A 101 13.116 9.954 -10.166 1.00 0.00 C ATOM 0 H MET A 101 13.595 4.646 -12.082 1.00 0.00 H new ATOM 0 HA MET A 101 16.187 4.950 -10.944 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.088 7.124 -11.596 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.980 6.373 -12.727 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.708 8.175 -12.160 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.164 7.075 -10.909 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.994 10.520 -9.242 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.294 10.642 -10.992 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.211 9.379 -10.361 1.00 0.00 H new ATOM 1270 N LEU A 102 13.645 5.586 -8.922 1.00 0.00 N ATOM 1271 CA LEU A 102 13.299 5.824 -7.523 1.00 0.00 C ATOM 1272 C LEU A 102 13.850 4.696 -6.653 1.00 0.00 C ATOM 1273 O LEU A 102 14.597 4.988 -5.728 1.00 0.00 O ATOM 1274 CB LEU A 102 11.777 6.027 -7.364 1.00 0.00 C ATOM 1275 CG LEU A 102 11.252 7.374 -7.904 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.724 7.371 -7.916 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.710 8.578 -7.075 1.00 0.00 C ATOM 0 H LEU A 102 12.836 5.445 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 102 13.765 6.748 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.259 5.217 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.521 5.949 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 102 11.662 7.475 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.361 8.325 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.367 6.564 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.352 7.222 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.306 9.493 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.351 8.472 -6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.799 8.626 -7.075 1.00 0.00 H new ATOM 1289 N ARG A 103 13.638 3.422 -7.002 1.00 0.00 N ATOM 1290 CA ARG A 103 14.185 2.275 -6.246 1.00 0.00 C ATOM 1291 C ARG A 103 15.717 2.135 -6.296 1.00 0.00 C ATOM 1292 O ARG A 103 16.280 1.407 -5.477 1.00 0.00 O ATOM 1293 CB ARG A 103 13.510 0.976 -6.706 1.00 0.00 C ATOM 1294 CG ARG A 103 12.010 0.943 -6.362 1.00 0.00 C ATOM 1295 CD ARG A 103 11.460 -0.476 -6.524 1.00 0.00 C ATOM 1296 NE ARG A 103 11.941 -1.338 -5.424 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.975 -2.654 -5.369 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.518 -3.410 -6.327 1.00 0.00 N ATOM 1299 NH2 ARG A 103 12.483 -3.227 -4.317 1.00 0.00 N ATOM 0 H ARG A 103 13.084 3.151 -7.814 1.00 0.00 H new ATOM 0 HA ARG A 103 13.955 2.476 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.636 0.866 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.006 0.126 -6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.857 1.285 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.466 1.628 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.370 -0.453 -6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.774 -0.888 -7.483 1.00 0.00 H new ATOM 0 HE ARG A 103 12.293 -0.851 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.113 -2.986 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.565 -4.425 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.847 -2.659 -3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.518 -4.245 -4.257 1.00 0.00 H new ATOM 1313 N LYS A 104 16.399 2.846 -7.207 1.00 0.00 N ATOM 1314 CA LYS A 104 17.874 2.975 -7.244 1.00 0.00 C ATOM 1315 C LYS A 104 18.389 4.252 -6.572 1.00 0.00 C ATOM 1316 O LYS A 104 19.600 4.450 -6.465 1.00 0.00 O ATOM 1317 CB LYS A 104 18.389 2.783 -8.681 1.00 0.00 C ATOM 1318 CG LYS A 104 18.314 1.294 -9.059 1.00 0.00 C ATOM 1319 CD LYS A 104 18.886 0.985 -10.448 1.00 0.00 C ATOM 1320 CE LYS A 104 17.964 1.544 -11.535 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.354 1.089 -12.894 1.00 0.00 N ATOM 0 H LYS A 104 15.936 3.360 -7.956 1.00 0.00 H new ATOM 0 HA LYS A 104 18.293 2.173 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.792 3.376 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.417 3.138 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.855 0.711 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.274 0.970 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.881 1.420 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 104 18.996 -0.092 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.938 1.236 -11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.983 2.633 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.537 1.163 -13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.128 1.685 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.671 0.100 -12.851 1.00 0.00 H new ATOM 1335 N ASN A 105 17.485 5.108 -6.092 1.00 0.00 N ATOM 1336 CA ASN A 105 17.799 6.253 -5.242 1.00 0.00 C ATOM 1337 C ASN A 105 17.291 5.988 -3.815 1.00 0.00 C ATOM 1338 O ASN A 105 18.049 5.619 -2.920 1.00 0.00 O ATOM 1339 CB ASN A 105 17.183 7.506 -5.895 1.00 0.00 C ATOM 1340 CG ASN A 105 18.049 8.054 -7.011 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.921 8.877 -6.802 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.853 7.580 -8.212 1.00 0.00 N ATOM 0 H ASN A 105 16.488 5.020 -6.290 1.00 0.00 H new ATOM 0 HA ASN A 105 18.873 6.416 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.197 7.261 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.040 8.276 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.434 7.899 -8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.119 6.891 -8.375 1.00 0.00 H new ATOM 1349 N LEU A 106 15.986 6.161 -3.627 1.00 0.00 N ATOM 1350 CA LEU A 106 15.290 5.955 -2.356 1.00 0.00 C ATOM 1351 C LEU A 106 15.127 4.471 -1.974 1.00 0.00 C ATOM 1352 O LEU A 106 15.136 3.577 -2.821 1.00 0.00 O ATOM 1353 CB LEU A 106 13.984 6.785 -2.328 1.00 0.00 C ATOM 1354 CG LEU A 106 12.930 6.541 -3.431 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.281 5.157 -3.363 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.833 7.586 -3.288 1.00 0.00 C ATOM 0 H LEU A 106 15.362 6.458 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 106 15.922 6.336 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.502 6.612 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.261 7.839 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 106 13.449 6.608 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.552 5.057 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.048 4.390 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.780 5.037 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.079 7.430 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.371 7.496 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.263 8.582 -3.397 1.00 0.00 H new ATOM 1368 N VAL A 107 14.960 4.210 -0.674 1.00 0.00 N ATOM 1369 CA VAL A 107 14.909 2.852 -0.084 1.00 0.00 C ATOM 1370 C VAL A 107 13.551 2.143 -0.230 1.00 0.00 C ATOM 1371 O VAL A 107 13.000 1.630 0.743 1.00 0.00 O ATOM 1372 CB VAL A 107 15.430 2.829 1.369 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.925 3.171 1.413 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.684 3.773 2.323 1.00 0.00 C ATOM 0 H VAL A 107 14.853 4.949 0.021 1.00 0.00 H new ATOM 0 HA VAL A 107 15.596 2.258 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 107 15.250 1.812 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.273 3.149 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.483 2.441 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.083 4.166 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.113 3.695 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.778 4.799 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.630 3.497 2.358 1.00 0.00 H new ATOM 1384 N THR A 108 13.011 2.090 -1.455 1.00 0.00 N ATOM 1385 CA THR A 108 11.749 1.395 -1.795 1.00 0.00 C ATOM 1386 C THR A 108 10.562 1.866 -0.932 1.00 0.00 C ATOM 1387 O THR A 108 10.184 1.240 0.061 1.00 0.00 O ATOM 1388 CB THR A 108 11.963 -0.131 -1.749 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.877 -0.497 -2.770 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.703 -0.947 -2.073 1.00 0.00 C ATOM 0 H THR A 108 13.446 2.538 -2.261 1.00 0.00 H new ATOM 0 HA THR A 108 11.474 1.662 -2.815 1.00 0.00 H new ATOM 0 HB THR A 108 12.296 -0.343 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.584 -1.060 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.935 -2.011 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.921 -0.710 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.358 -0.700 -3.077 1.00 0.00 H new ATOM 1398 N LEU A 109 9.953 2.991 -1.325 1.00 0.00 N ATOM 1399 CA LEU A 109 8.698 3.476 -0.731 1.00 0.00 C ATOM 1400 C LEU A 109 7.485 2.973 -1.528 1.00 0.00 C ATOM 1401 O LEU A 109 7.563 2.807 -2.748 1.00 0.00 O ATOM 1402 CB LEU A 109 8.674 5.010 -0.644 1.00 0.00 C ATOM 1403 CG LEU A 109 9.894 5.704 -0.032 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.676 7.214 -0.049 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.168 5.241 1.398 1.00 0.00 C ATOM 0 H LEU A 109 10.316 3.593 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 109 8.642 3.077 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.535 5.402 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.797 5.300 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 109 10.764 5.437 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.543 7.712 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.542 7.551 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.787 7.460 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.043 5.762 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.304 5.463 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.353 4.167 1.403 1.00 0.00 H new ATOM 1417 N ALA A 110 6.359 2.765 -0.843 1.00 0.00 N ATOM 1418 CA ALA A 110 5.119 2.262 -1.437 1.00 0.00 C ATOM 1419 C ALA A 110 3.868 2.684 -0.642 1.00 0.00 C ATOM 1420 O ALA A 110 3.954 3.052 0.533 1.00 0.00 O ATOM 1421 CB ALA A 110 5.243 0.736 -1.538 1.00 0.00 C ATOM 0 H ALA A 110 6.282 2.945 0.158 1.00 0.00 H new ATOM 0 HA ALA A 110 4.985 2.698 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.334 0.325 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.097 0.481 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.386 0.316 -0.542 1.00 0.00 H new ATOM 1427 N THR A 111 2.703 2.645 -1.296 1.00 0.00 N ATOM 1428 CA THR A 111 1.405 3.069 -0.733 1.00 0.00 C ATOM 1429 C THR A 111 0.209 2.348 -1.367 1.00 0.00 C ATOM 1430 O THR A 111 0.312 1.757 -2.453 1.00 0.00 O ATOM 1431 CB THR A 111 1.239 4.594 -0.850 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.035 4.981 -0.218 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.218 5.125 -2.288 1.00 0.00 C ATOM 0 H THR A 111 2.628 2.310 -2.257 1.00 0.00 H new ATOM 0 HA THR A 111 1.416 2.786 0.320 1.00 0.00 H new ATOM 0 HB THR A 111 2.117 5.024 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.074 5.952 -0.289 1.00 0.00 H new ATOM 0 HG21 THR A 111 1.098 6.208 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.155 4.870 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.387 4.674 -2.830 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.243 11.853 -11.414 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.877 12.705 -10.508 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.237 10.366 -9.934 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.505 13.419 -13.249 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.222 12.088 -11.714 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.894 13.122 -9.651 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.458 9.488 -11.001 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.729 10.025 -8.669 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.548 12.683 -13.828 1.00 0.00 C HETATM 1451 CD6 48L A 200 0.036 14.483 -13.994 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.559 11.906 -12.064 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.232 12.932 -9.991 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.433 8.838 -8.472 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.178 8.312 -10.804 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.095 13.048 -15.057 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.529 14.854 -15.209 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.563 12.338 -11.203 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.667 7.979 -9.544 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.601 14.156 -15.740 1.00 0.00 C HETATM 1461 CL 48L A 200 7.223 12.149 -11.640 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.400 14.150 -17.456 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.589 15.246 -13.214 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.717 14.708 -15.528 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.279 18.200 -11.986 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.362 17.533 -12.418 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.231 19.400 -12.179 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.608 16.103 -12.190 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.329 15.947 -11.157 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.744 15.528 -11.050 1.00 0.00 C HETATM 1471 N3 48L A 200 0.736 13.860 -11.041 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.112 14.578 -16.952 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.171 17.423 -11.277 1.00 0.00 C HETATM 1474 C5 48L A 200 0.735 15.186 -10.780 1.00 0.00 C HETATM 1475 O5 48L A 200 1.657 15.704 -10.178 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.060 13.035 -11.873 1.00 0.00 C HETATM 1477 O6 48L A 200 1.202 15.124 -13.637 1.00 0.00 O HETATM 1478 C7 48L A 200 0.501 11.693 -10.131 1.00 0.00 C HETATM 1479 C8 48L A 200 1.416 12.950 -10.114 1.00 0.00 C HETATM 1480 C9 48L A 200 2.478 14.548 -14.016 1.00 0.00 C HETATM 1481 BR 48L A 200 2.508 7.163 -12.276 1.00 0.00 BR HETATM 1482 F 48L A 200 1.535 10.845 -7.619 1.00 0.00 F