USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 935 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 NoAdj-H: B 6 PTR HN2 : B 6 PTR N : B 5 VAL C :(H bumps) USER MOD NoAdj-H: B 10 PTR HN2 : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 10 PTR H : B 10 PTR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA HE2 : B 14 GMA OE2 : B 14 GMA CD :(short bond) USER MOD NoAdj-H: B 14 GMA H2 : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD NoAdj-H: B 14 GMA H : B 14 GMA N : B 13 PRO C :(H bumps) USER MOD Set 1.1: A 100 ASN : amide:sc= -0.452 K(o=1.6,f=-4.8!) USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0.909 USER MOD Set 1.3: A 105 SER OG : rot -74:sc= 1.12 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.73 K(o=1.7,f=0.58) USER MOD Set 2.2: A 66 THR OG1 : rot -30:sc= 0.955! USER MOD Set 3.1: A 26 MET CE :methyl -173:sc= -6.2! (180deg=-3.8!) USER MOD Set 3.2: A 57 HIS : no HE2:sc= -6.65 K(o=-13,f=-22!) USER MOD Set 4.1: A 43 ASN : amide:sc= 2.33 K(o=3.1,f=1.1) USER MOD Set 4.2: A 61 GLN : amide:sc= 0.75 K(o=3.1,f=1.1) USER MOD Set 5.1: A 15 SER OG : rot 160:sc= 0.647 USER MOD Set 5.2: A 38 LYS NZ :NH3+ 161:sc= 0.722! (180deg=0.481!) USER MOD Set 6.1: A 17 THR OG1 : rot 158:sc= 0.183 USER MOD Set 6.2: A 20 GLN : amide:sc= -3.06! C(o=-3!,f=-3.4!) USER MOD Set 6.3: A 24 MET CE :methyl -159:sc= -0.124 (180deg=-0.897) USER MOD Set 7.1: A 13 HIS : no HE2:sc= -1.16 K(o=-0.3,f=-15!) USER MOD Set 7.2: A 76 SER OG : rot -79:sc= 0.861 USER MOD Single : A 1 GLY N :NH3+ 139:sc= -0.64 (180deg=-3.57!) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0504 USER MOD Single : A 6 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.36) USER MOD Single : A 8 SER OG : rot 180:sc= 0.121 USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.0336!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 44 SER OG : rot -78:sc= -0.153 USER MOD Single : A 45 TYR OH : rot -157:sc= 1.04 USER MOD Single : A 48 SER OG : rot 3:sc= -3.42! USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 1.56 (180deg=1.31!) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 1.08 (180deg=0.819) USER MOD Single : A 58 CYS SG : rot 43:sc= -1.69! USER MOD Single : A 62 GLN : amide:sc= -0.0595 K(o=-0.059,f=-4.2!) USER MOD Single : A 68 MET CE :methyl -147:sc= 0 (180deg=-0.117) USER MOD Single : A 71 ASN : amide:sc= 0.983 K(o=0.98,f=-0.12) USER MOD Single : A 72 SER OG : rot 60:sc= 1.25 USER MOD Single : A 82 SER OG : rot 80:sc= -0.309! USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 0:sc= 1.23 USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 2.57 (180deg=2.18) USER MOD Single : A 87 HIS : no HE2:sc= 0.273 K(o=0.27,f=-1.4) USER MOD Single : A 90 TYR OH : rot -129:sc= 0.474 USER MOD Single : A 92 LYS NZ :NH3+ -177:sc= 0.949 (180deg=0.908) USER MOD Single : A 93 MET CE :methyl 176:sc= -0.119 (180deg=-0.189) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 90:sc= -0.158 USER MOD Single : A 103 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : B 3 THR OG1 : rot -95:sc= 1.46 USER MOD Single : B 8 SER OG : rot 66:sc= 0.0353 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE B 1 9.599 -4.521 -9.538 1.00 0.00 C HETATM 2 O ACE B 1 10.457 -5.377 -9.443 1.00 0.00 O HETATM 3 CH3 ACE B 1 8.737 -4.134 -8.336 1.00 0.00 C HETATM 0 H1 ACE B 1 8.878 -3.076 -8.113 1.00 0.00 H new HETATM 0 H2 ACE B 1 7.688 -4.320 -8.566 1.00 0.00 H new HETATM 0 H3 ACE B 1 9.030 -4.730 -7.471 1.00 0.00 H new ATOM 7 N ASP B 2 9.377 -3.890 -10.663 1.00 0.00 N ATOM 8 CA ASP B 2 10.179 -4.202 -11.889 1.00 0.00 C ATOM 9 C ASP B 2 9.869 -3.182 -12.999 1.00 0.00 C ATOM 10 O ASP B 2 10.650 -2.289 -13.273 1.00 0.00 O ATOM 11 CB ASP B 2 9.743 -5.621 -12.299 1.00 0.00 C ATOM 12 CG ASP B 2 10.229 -5.938 -13.715 1.00 0.00 C ATOM 13 OD1 ASP B 2 11.413 -6.169 -13.878 1.00 0.00 O ATOM 14 OD2 ASP B 2 9.402 -5.940 -14.612 1.00 0.00 O ATOM 0 H ASP B 2 8.669 -3.166 -10.787 1.00 0.00 H new ATOM 0 HA ASP B 2 11.253 -4.149 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP B 2 10.147 -6.350 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP B 2 8.657 -5.703 -12.253 1.00 0.00 H new ATOM 19 N THR B 3 8.736 -3.316 -13.641 1.00 0.00 N ATOM 20 CA THR B 3 8.359 -2.374 -14.741 1.00 0.00 C ATOM 21 C THR B 3 6.874 -2.007 -14.627 1.00 0.00 C ATOM 22 O THR B 3 6.523 -0.917 -14.215 1.00 0.00 O ATOM 23 CB THR B 3 8.621 -3.148 -16.041 1.00 0.00 C ATOM 24 OG1 THR B 3 7.982 -4.421 -15.972 1.00 0.00 O ATOM 25 CG2 THR B 3 10.127 -3.332 -16.240 1.00 0.00 C ATOM 0 H THR B 3 8.049 -4.045 -13.449 1.00 0.00 H new ATOM 0 HA THR B 3 8.926 -1.444 -14.702 1.00 0.00 H new ATOM 0 HB THR B 3 8.218 -2.587 -16.884 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.622 -5.092 -15.654 1.00 0.00 H new ATOM 0 HG21 THR B 3 10.307 -3.882 -17.164 1.00 0.00 H new ATOM 0 HG22 THR B 3 10.608 -2.356 -16.299 1.00 0.00 H new ATOM 0 HG23 THR B 3 10.540 -3.890 -15.399 1.00 0.00 H new ATOM 33 N GLU B 4 6.005 -2.923 -14.986 1.00 0.00 N ATOM 34 CA GLU B 4 4.533 -2.663 -14.900 1.00 0.00 C ATOM 35 C GLU B 4 3.746 -3.950 -15.209 1.00 0.00 C ATOM 36 O GLU B 4 3.088 -4.061 -16.231 1.00 0.00 O ATOM 37 CB GLU B 4 4.250 -1.583 -15.952 1.00 0.00 C ATOM 38 CG GLU B 4 2.979 -0.815 -15.570 1.00 0.00 C ATOM 39 CD GLU B 4 3.239 0.688 -15.651 1.00 0.00 C ATOM 40 OE1 GLU B 4 3.742 1.241 -14.682 1.00 0.00 O ATOM 41 OE2 GLU B 4 2.939 1.266 -16.681 1.00 0.00 O ATOM 0 H GLU B 4 6.256 -3.847 -15.338 1.00 0.00 H new ATOM 0 HA GLU B 4 4.230 -2.341 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.095 -0.897 -16.021 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.130 -2.040 -16.934 1.00 0.00 H new ATOM 0 HG2 GLU B 4 2.163 -1.089 -16.239 1.00 0.00 H new ATOM 0 HG3 GLU B 4 2.669 -1.086 -14.561 1.00 0.00 H new ATOM 48 N VAL B 5 3.803 -4.925 -14.330 1.00 0.00 N ATOM 49 CA VAL B 5 3.056 -6.207 -14.570 1.00 0.00 C ATOM 50 C VAL B 5 2.947 -7.030 -13.274 1.00 0.00 C ATOM 51 O VAL B 5 3.924 -7.546 -12.772 1.00 0.00 O ATOM 52 CB VAL B 5 3.861 -6.962 -15.645 1.00 0.00 C ATOM 53 CG1 VAL B 5 5.330 -7.105 -15.224 1.00 0.00 C ATOM 54 CG2 VAL B 5 3.260 -8.355 -15.846 1.00 0.00 C ATOM 0 H VAL B 5 4.332 -4.890 -13.459 1.00 0.00 H new ATOM 0 HA VAL B 5 2.033 -6.022 -14.898 1.00 0.00 H new ATOM 0 HB VAL B 5 3.815 -6.394 -16.574 1.00 0.00 H new ATOM 0 HG11 VAL B 5 5.880 -7.641 -15.998 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.767 -6.116 -15.087 1.00 0.00 H new ATOM 0 HG13 VAL B 5 5.388 -7.660 -14.287 1.00 0.00 H new ATOM 0 HG21 VAL B 5 3.829 -8.890 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL B 5 3.300 -8.907 -14.907 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.223 -8.261 -16.168 1.00 0.00 H new HETATM 64 N PTR B 6 1.759 -7.147 -12.730 1.00 0.00 N HETATM 65 CA PTR B 6 1.577 -7.926 -11.464 1.00 0.00 C HETATM 66 C PTR B 6 0.329 -8.818 -11.549 1.00 0.00 C HETATM 67 O PTR B 6 -0.163 -9.115 -12.620 1.00 0.00 O HETATM 68 CB PTR B 6 1.354 -6.874 -10.379 1.00 0.00 C HETATM 69 CG PTR B 6 2.535 -5.956 -10.242 1.00 0.00 C HETATM 70 CD1 PTR B 6 3.835 -6.467 -10.199 1.00 0.00 C HETATM 71 CD2 PTR B 6 2.313 -4.582 -10.140 1.00 0.00 C HETATM 72 CE1 PTR B 6 4.918 -5.599 -10.061 1.00 0.00 C HETATM 73 CE2 PTR B 6 3.396 -3.713 -10.000 1.00 0.00 C HETATM 74 CZ PTR B 6 4.700 -4.224 -9.961 1.00 0.00 C HETATM 75 OH PTR B 6 5.770 -3.371 -9.836 1.00 0.00 O HETATM 76 P PTR B 6 6.141 -2.510 -11.067 1.00 0.00 P HETATM 77 O1P PTR B 6 7.559 -1.989 -10.744 1.00 0.00 O HETATM 78 O2P PTR B 6 5.150 -1.324 -10.995 1.00 0.00 O HETATM 79 O3P PTR B 6 6.021 -3.442 -12.347 1.00 0.00 O HETATM 0 HE2 PTR B 6 3.228 -2.639 -9.921 1.00 0.00 H new HETATM 0 HE1 PTR B 6 5.933 -5.994 -10.031 1.00 0.00 H new HETATM 0 HD2 PTR B 6 1.297 -4.189 -10.170 1.00 0.00 H new HETATM 0 HD1 PTR B 6 4.002 -7.542 -10.273 1.00 0.00 H new HETATM 0 HB3 PTR B 6 0.465 -6.290 -10.616 1.00 0.00 H new HETATM 0 HB2 PTR B 6 1.165 -7.369 -9.426 1.00 0.00 H new HETATM 0 HA PTR B 6 2.435 -8.570 -11.269 1.00 0.00 H new HETATM 0 H PTR B 6 1.094 -7.256 -13.496 1.00 0.00 H new ATOM 89 N GLU B 7 -0.195 -9.226 -10.412 1.00 0.00 N ATOM 90 CA GLU B 7 -1.426 -10.079 -10.394 1.00 0.00 C ATOM 91 C GLU B 7 -2.090 -10.050 -8.989 1.00 0.00 C ATOM 92 O GLU B 7 -3.234 -9.671 -8.855 1.00 0.00 O ATOM 93 CB GLU B 7 -0.926 -11.484 -10.752 1.00 0.00 C ATOM 94 CG GLU B 7 -2.093 -12.483 -10.714 1.00 0.00 C ATOM 95 CD GLU B 7 -2.270 -13.022 -9.292 1.00 0.00 C ATOM 96 OE1 GLU B 7 -1.293 -13.480 -8.725 1.00 0.00 O ATOM 97 OE2 GLU B 7 -3.381 -12.958 -8.787 1.00 0.00 O ATOM 0 H GLU B 7 0.182 -9.001 -9.491 1.00 0.00 H new ATOM 0 HA GLU B 7 -2.189 -9.732 -11.091 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.475 -11.477 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.150 -11.792 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -3.011 -11.997 -11.045 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.902 -13.306 -11.403 1.00 0.00 H new ATOM 104 N SER B 8 -1.379 -10.442 -7.945 1.00 0.00 N ATOM 105 CA SER B 8 -1.973 -10.428 -6.552 1.00 0.00 C ATOM 106 C SER B 8 -1.079 -9.604 -5.601 1.00 0.00 C ATOM 107 O SER B 8 0.037 -9.997 -5.319 1.00 0.00 O ATOM 108 CB SER B 8 -2.006 -11.893 -6.113 1.00 0.00 C ATOM 109 OG SER B 8 -3.326 -12.398 -6.274 1.00 0.00 O ATOM 0 H SER B 8 -0.415 -10.771 -7.996 1.00 0.00 H new ATOM 0 HA SER B 8 -2.965 -9.976 -6.535 1.00 0.00 H new ATOM 0 HB2 SER B 8 -1.304 -12.479 -6.706 1.00 0.00 H new ATOM 0 HB3 SER B 8 -1.694 -11.981 -5.072 1.00 0.00 H new ATOM 0 HG SER B 8 -3.553 -12.423 -7.227 1.00 0.00 H new ATOM 115 N PRO B 9 -1.589 -8.468 -5.159 1.00 0.00 N ATOM 116 CA PRO B 9 -0.819 -7.555 -4.276 1.00 0.00 C ATOM 117 C PRO B 9 -0.965 -7.900 -2.772 1.00 0.00 C ATOM 118 O PRO B 9 -0.428 -8.895 -2.316 1.00 0.00 O ATOM 119 CB PRO B 9 -1.403 -6.183 -4.639 1.00 0.00 C ATOM 120 CG PRO B 9 -2.778 -6.446 -5.182 1.00 0.00 C ATOM 121 CD PRO B 9 -2.915 -7.930 -5.434 1.00 0.00 C ATOM 0 HA PRO B 9 0.259 -7.617 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.447 -5.534 -3.764 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.782 -5.678 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.536 -6.110 -4.474 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -2.934 -5.888 -6.105 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.667 -8.376 -4.783 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.221 -8.132 -6.460 1.00 0.00 H new HETATM 129 N PTR B 10 -1.638 -7.085 -1.988 1.00 0.00 N HETATM 130 CA PTR B 10 -1.753 -7.375 -0.523 1.00 0.00 C HETATM 131 C PTR B 10 -3.212 -7.644 -0.116 1.00 0.00 C HETATM 132 O PTR B 10 -4.050 -6.762 -0.156 1.00 0.00 O HETATM 133 CB PTR B 10 -1.220 -6.105 0.152 1.00 0.00 C HETATM 134 CG PTR B 10 0.267 -6.240 0.380 1.00 0.00 C HETATM 135 CD1 PTR B 10 0.740 -6.654 1.628 1.00 0.00 C HETATM 136 CD2 PTR B 10 1.172 -5.959 -0.656 1.00 0.00 C HETATM 137 CE1 PTR B 10 2.113 -6.792 1.845 1.00 0.00 C HETATM 138 CE2 PTR B 10 2.549 -6.096 -0.436 1.00 0.00 C HETATM 139 CZ PTR B 10 3.023 -6.515 0.813 1.00 0.00 C HETATM 140 OH PTR B 10 4.388 -6.657 1.015 1.00 0.00 O HETATM 141 P PTR B 10 4.918 -7.775 1.981 1.00 0.00 P HETATM 142 O1P PTR B 10 6.283 -8.174 1.380 1.00 0.00 O HETATM 143 O2P PTR B 10 3.945 -8.967 1.780 1.00 0.00 O HETATM 144 O3P PTR B 10 4.971 -7.168 3.454 1.00 0.00 O HETATM 0 HE2 PTR B 10 3.253 -5.876 -1.239 1.00 0.00 H new HETATM 0 HE1 PTR B 10 2.479 -7.116 2.819 1.00 0.00 H new HETATM 0 HD2 PTR B 10 0.804 -5.635 -1.630 1.00 0.00 H new HETATM 0 HD1 PTR B 10 0.037 -6.869 2.433 1.00 0.00 H new HETATM 0 HB3 PTR B 10 -1.425 -5.235 -0.472 1.00 0.00 H new HETATM 0 HB2 PTR B 10 -1.731 -5.944 1.101 1.00 0.00 H new HETATM 0 HA PTR B 10 -1.200 -8.269 -0.234 1.00 0.00 H new ATOM 154 N ALA B 11 -3.516 -8.860 0.273 1.00 0.00 N ATOM 155 CA ALA B 11 -4.918 -9.203 0.683 1.00 0.00 C ATOM 156 C ALA B 11 -5.024 -9.322 2.207 1.00 0.00 C ATOM 157 O ALA B 11 -4.274 -10.048 2.829 1.00 0.00 O ATOM 158 CB ALA B 11 -5.206 -10.554 0.021 1.00 0.00 C ATOM 0 H ALA B 11 -2.852 -9.633 0.325 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.629 -8.435 0.379 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -6.217 -10.875 0.274 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -5.116 -10.456 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.490 -11.294 0.378 1.00 0.00 H new ATOM 164 N ASP B 12 -5.962 -8.617 2.799 1.00 0.00 N ATOM 165 CA ASP B 12 -6.161 -8.665 4.288 1.00 0.00 C ATOM 166 C ASP B 12 -4.916 -8.145 5.042 1.00 0.00 C ATOM 167 O ASP B 12 -3.864 -7.959 4.461 1.00 0.00 O ATOM 168 CB ASP B 12 -6.440 -10.141 4.616 1.00 0.00 C ATOM 169 CG ASP B 12 -7.875 -10.498 4.218 1.00 0.00 C ATOM 170 OD1 ASP B 12 -8.171 -10.468 3.031 1.00 0.00 O ATOM 171 OD2 ASP B 12 -8.652 -10.802 5.107 1.00 0.00 O ATOM 0 H ASP B 12 -6.608 -8.001 2.306 1.00 0.00 H new ATOM 0 HA ASP B 12 -6.983 -8.022 4.603 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.736 -10.781 4.084 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -6.293 -10.321 5.681 1.00 0.00 H new ATOM 176 N PRO B 13 -5.095 -7.902 6.323 1.00 0.00 N ATOM 177 CA PRO B 13 -3.987 -7.380 7.171 1.00 0.00 C ATOM 178 C PRO B 13 -2.999 -8.490 7.568 1.00 0.00 C ATOM 179 O PRO B 13 -3.144 -9.641 7.196 1.00 0.00 O ATOM 180 CB PRO B 13 -4.710 -6.852 8.406 1.00 0.00 C ATOM 181 CG PRO B 13 -5.986 -7.632 8.483 1.00 0.00 C ATOM 182 CD PRO B 13 -6.335 -8.082 7.087 1.00 0.00 C ATOM 0 HA PRO B 13 -3.391 -6.628 6.654 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -4.108 -6.993 9.304 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -4.907 -5.784 8.319 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.869 -8.491 9.144 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -6.785 -7.017 8.897 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -6.661 -9.122 7.075 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -7.148 -7.488 6.670 1.00 0.00 H new HETATM 190 N GMA B 14 -1.999 -8.144 8.341 1.00 0.00 N HETATM 191 CA GMA B 14 -1.000 -9.161 8.788 1.00 0.00 C HETATM 192 C GMA B 14 -1.423 -9.755 10.139 1.00 0.00 C HETATM 193 O GMA B 14 -1.731 -9.035 11.072 1.00 0.00 O HETATM 194 CB GMA B 14 0.319 -8.392 8.919 1.00 0.00 C HETATM 195 CG GMA B 14 1.497 -9.376 8.890 1.00 0.00 C HETATM 196 CD GMA B 14 1.813 -9.772 7.446 1.00 0.00 C HETATM 197 OE1 GMA B 14 1.664 -10.939 7.129 1.00 0.00 O HETATM 198 OE2 GMA B 14 2.199 -8.898 6.680 1.00 0.00 O HETATM 199 N2 GMA B 14 -1.464 -11.046 10.284 1.00 0.00 N HETATM 0 HN2A GMA B 14 -1.216 -11.655 9.504 1.00 0.00 H new HETATM 0 HN1 GMA B 14 -1.744 -11.450 11.178 1.00 0.00 H new HETATM 0 HG3 GMA B 14 2.373 -8.920 9.351 1.00 0.00 H new HETATM 0 HG2 GMA B 14 1.255 -10.264 9.474 1.00 0.00 H new HETATM 0 HB3 GMA B 14 0.414 -7.672 8.106 1.00 0.00 H new HETATM 0 HB2 GMA B 14 0.329 -7.825 9.850 1.00 0.00 H new HETATM 0 HA GMA B 14 -0.913 -9.994 8.090 1.00 0.00 H new TER 208 GMA B 14 ATOM 209 N GLY A 1 -5.805 9.574 13.292 1.00 0.00 N ATOM 210 CA GLY A 1 -7.290 9.555 13.472 1.00 0.00 C ATOM 211 C GLY A 1 -7.696 8.314 14.272 1.00 0.00 C ATOM 212 O GLY A 1 -7.155 8.057 15.327 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.576 9.879 12.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.381 10.236 13.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.424 8.620 13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.615 10.457 13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.784 9.551 12.500 1.00 0.00 H new ATOM 218 N SER A 2 -8.636 7.542 13.778 1.00 0.00 N ATOM 219 CA SER A 2 -9.066 6.317 14.528 1.00 0.00 C ATOM 220 C SER A 2 -9.520 5.195 13.572 1.00 0.00 C ATOM 221 O SER A 2 -8.894 4.157 13.530 1.00 0.00 O ATOM 222 CB SER A 2 -10.214 6.776 15.430 1.00 0.00 C ATOM 223 OG SER A 2 -9.717 6.957 16.750 1.00 0.00 O ATOM 0 H SER A 2 -9.121 7.705 12.895 1.00 0.00 H new ATOM 0 HA SER A 2 -8.243 5.894 15.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.638 7.708 15.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.015 6.037 15.427 1.00 0.00 H new ATOM 0 HG SER A 2 -8.820 7.349 16.711 1.00 0.00 H new ATOM 229 N PRO A 3 -10.595 5.417 12.836 1.00 0.00 N ATOM 230 CA PRO A 3 -11.091 4.366 11.899 1.00 0.00 C ATOM 231 C PRO A 3 -10.167 4.230 10.671 1.00 0.00 C ATOM 232 O PRO A 3 -9.084 4.794 10.626 1.00 0.00 O ATOM 233 CB PRO A 3 -12.471 4.878 11.488 1.00 0.00 C ATOM 234 CG PRO A 3 -12.405 6.359 11.669 1.00 0.00 C ATOM 235 CD PRO A 3 -11.442 6.624 12.797 1.00 0.00 C ATOM 0 HA PRO A 3 -11.120 3.376 12.354 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.697 4.617 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.255 4.440 12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.069 6.845 10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.390 6.763 11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.850 7.521 12.614 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.965 6.775 13.741 1.00 0.00 H new ATOM 243 N GLY A 4 -10.598 3.483 9.681 1.00 0.00 N ATOM 244 CA GLY A 4 -9.779 3.297 8.438 1.00 0.00 C ATOM 245 C GLY A 4 -10.494 3.975 7.261 1.00 0.00 C ATOM 246 O GLY A 4 -11.424 4.737 7.458 1.00 0.00 O ATOM 0 H GLY A 4 -11.491 2.989 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.787 3.727 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.641 2.235 8.233 1.00 0.00 H new ATOM 250 N ILE A 5 -10.068 3.718 6.039 1.00 0.00 N ATOM 251 CA ILE A 5 -10.710 4.336 4.816 1.00 0.00 C ATOM 252 C ILE A 5 -10.488 5.866 4.755 1.00 0.00 C ATOM 253 O ILE A 5 -10.356 6.430 3.687 1.00 0.00 O ATOM 254 CB ILE A 5 -12.201 3.968 4.909 1.00 0.00 C ATOM 255 CG1 ILE A 5 -12.436 2.617 4.221 1.00 0.00 C ATOM 256 CG2 ILE A 5 -13.065 5.030 4.220 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.656 1.515 4.947 1.00 0.00 C ATOM 0 H ILE A 5 -9.288 3.095 5.831 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.265 3.957 3.896 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.478 3.911 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.500 2.380 4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.121 2.671 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.116 4.750 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.910 5.995 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.785 5.101 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.829 0.560 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.591 1.748 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.992 1.453 5.982 1.00 0.00 H new ATOM 269 N HIS A 6 -10.419 6.534 5.880 1.00 0.00 N ATOM 270 CA HIS A 6 -10.172 8.007 5.880 1.00 0.00 C ATOM 271 C HIS A 6 -8.816 8.294 6.543 1.00 0.00 C ATOM 272 O HIS A 6 -8.119 9.219 6.176 1.00 0.00 O ATOM 273 CB HIS A 6 -11.323 8.609 6.693 1.00 0.00 C ATOM 274 CG HIS A 6 -12.204 9.433 5.789 1.00 0.00 C ATOM 275 ND1 HIS A 6 -12.472 9.068 4.478 1.00 0.00 N ATOM 276 CD2 HIS A 6 -12.885 10.607 5.996 1.00 0.00 C ATOM 277 CE1 HIS A 6 -13.281 10.008 3.952 1.00 0.00 C ATOM 278 NE2 HIS A 6 -13.563 10.968 4.835 1.00 0.00 N ATOM 0 H HIS A 6 -10.524 6.117 6.805 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.137 8.431 4.877 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.906 7.815 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.928 9.230 7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.893 11.166 6.920 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.656 9.987 2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.149 11.790 4.690 1.00 0.00 H new ATOM 286 N GLU A 7 -8.434 7.492 7.511 1.00 0.00 N ATOM 287 CA GLU A 7 -7.119 7.697 8.190 1.00 0.00 C ATOM 288 C GLU A 7 -6.015 6.871 7.506 1.00 0.00 C ATOM 289 O GLU A 7 -4.837 7.088 7.739 1.00 0.00 O ATOM 290 CB GLU A 7 -7.336 7.219 9.627 1.00 0.00 C ATOM 291 CG GLU A 7 -6.578 8.144 10.586 1.00 0.00 C ATOM 292 CD GLU A 7 -5.396 7.402 11.207 1.00 0.00 C ATOM 293 OE1 GLU A 7 -5.603 6.745 12.220 1.00 0.00 O ATOM 294 OE2 GLU A 7 -4.297 7.521 10.685 1.00 0.00 O ATOM 0 H GLU A 7 -8.980 6.703 7.858 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.798 8.738 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.399 7.220 9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.985 6.193 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.224 9.025 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.249 8.496 11.370 1.00 0.00 H new ATOM 301 N SER A 8 -6.374 5.928 6.661 1.00 0.00 N ATOM 302 CA SER A 8 -5.324 5.110 5.973 1.00 0.00 C ATOM 303 C SER A 8 -4.417 6.023 5.150 1.00 0.00 C ATOM 304 O SER A 8 -4.815 7.088 4.711 1.00 0.00 O ATOM 305 CB SER A 8 -6.069 4.112 5.079 1.00 0.00 C ATOM 306 OG SER A 8 -5.627 4.252 3.732 1.00 0.00 O ATOM 0 H SER A 8 -7.337 5.693 6.422 1.00 0.00 H new ATOM 0 HA SER A 8 -4.688 4.582 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.891 3.094 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.143 4.286 5.139 1.00 0.00 H new ATOM 0 HG SER A 8 -6.104 3.612 3.163 1.00 0.00 H new ATOM 312 N LYS A 9 -3.194 5.626 4.954 1.00 0.00 N ATOM 313 CA LYS A 9 -2.251 6.489 4.179 1.00 0.00 C ATOM 314 C LYS A 9 -2.034 5.953 2.757 1.00 0.00 C ATOM 315 O LYS A 9 -0.985 6.136 2.170 1.00 0.00 O ATOM 316 CB LYS A 9 -0.955 6.481 4.998 1.00 0.00 C ATOM 317 CG LYS A 9 -0.765 7.845 5.679 1.00 0.00 C ATOM 318 CD LYS A 9 -2.085 8.302 6.329 1.00 0.00 C ATOM 319 CE LYS A 9 -1.899 8.501 7.838 1.00 0.00 C ATOM 320 NZ LYS A 9 -2.577 7.330 8.467 1.00 0.00 N ATOM 0 H LYS A 9 -2.803 4.747 5.293 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.637 7.499 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.992 5.691 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.105 6.266 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.017 7.777 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.437 8.583 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.419 9.233 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.863 7.560 6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.843 8.536 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.343 9.440 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.779 7.541 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.468 7.135 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.957 6.497 8.408 1.00 0.00 H new ATOM 334 N GLU A 10 -3.033 5.323 2.185 1.00 0.00 N ATOM 335 CA GLU A 10 -2.900 4.809 0.786 1.00 0.00 C ATOM 336 C GLU A 10 -4.236 4.936 0.043 1.00 0.00 C ATOM 337 O GLU A 10 -4.688 4.031 -0.634 1.00 0.00 O ATOM 338 CB GLU A 10 -2.475 3.349 0.916 1.00 0.00 C ATOM 339 CG GLU A 10 -1.267 3.115 0.015 1.00 0.00 C ATOM 340 CD GLU A 10 -0.774 1.675 0.136 1.00 0.00 C ATOM 341 OE1 GLU A 10 -0.590 1.223 1.250 1.00 0.00 O ATOM 342 OE2 GLU A 10 -0.570 1.057 -0.894 1.00 0.00 O ATOM 0 H GLU A 10 -3.934 5.143 2.627 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.169 5.378 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.226 3.118 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.294 2.689 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.533 3.328 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.466 3.803 0.286 1.00 0.00 H new ATOM 349 N TRP A 11 -4.857 6.075 0.156 1.00 0.00 N ATOM 350 CA TRP A 11 -6.163 6.308 -0.547 1.00 0.00 C ATOM 351 C TRP A 11 -5.931 6.941 -1.934 1.00 0.00 C ATOM 352 O TRP A 11 -6.864 7.338 -2.603 1.00 0.00 O ATOM 353 CB TRP A 11 -6.989 7.243 0.360 1.00 0.00 C ATOM 354 CG TRP A 11 -6.166 8.406 0.830 1.00 0.00 C ATOM 355 CD1 TRP A 11 -5.708 8.564 2.094 1.00 0.00 C ATOM 356 CD2 TRP A 11 -5.705 9.568 0.080 1.00 0.00 C ATOM 357 NE1 TRP A 11 -4.990 9.744 2.164 1.00 0.00 N ATOM 358 CE2 TRP A 11 -4.960 10.398 0.950 1.00 0.00 C ATOM 359 CE3 TRP A 11 -5.857 9.978 -1.257 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -4.385 11.590 0.509 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -5.281 11.177 -1.705 1.00 0.00 C ATOM 362 CH2 TRP A 11 -4.547 11.982 -0.823 1.00 0.00 C ATOM 0 H TRP A 11 -4.520 6.864 0.707 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.691 5.370 -0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.860 7.607 -0.185 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.361 6.686 1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.876 7.881 2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.538 10.089 3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.421 9.365 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.819 12.206 1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.404 11.481 -2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.107 12.904 -1.172 1.00 0.00 H new ATOM 373 N TYR A 12 -4.691 7.036 -2.370 1.00 0.00 N ATOM 374 CA TYR A 12 -4.389 7.646 -3.716 1.00 0.00 C ATOM 375 C TYR A 12 -5.009 6.830 -4.870 1.00 0.00 C ATOM 376 O TYR A 12 -4.883 7.207 -6.017 1.00 0.00 O ATOM 377 CB TYR A 12 -2.853 7.658 -3.845 1.00 0.00 C ATOM 378 CG TYR A 12 -2.220 8.153 -2.564 1.00 0.00 C ATOM 379 CD1 TYR A 12 -2.366 9.489 -2.173 1.00 0.00 C ATOM 380 CD2 TYR A 12 -1.493 7.265 -1.764 1.00 0.00 C ATOM 381 CE1 TYR A 12 -1.783 9.933 -0.980 1.00 0.00 C ATOM 382 CE2 TYR A 12 -0.910 7.710 -0.575 1.00 0.00 C ATOM 383 CZ TYR A 12 -1.056 9.044 -0.182 1.00 0.00 C ATOM 384 OH TYR A 12 -0.486 9.486 0.995 1.00 0.00 O ATOM 0 H TYR A 12 -3.872 6.717 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.816 8.647 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.493 6.654 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.556 8.298 -4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.927 10.176 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.382 6.234 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.895 10.963 -0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.347 7.024 0.040 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.017 8.744 1.430 1.00 0.00 H new ATOM 394 N HIS A 13 -5.667 5.723 -4.578 1.00 0.00 N ATOM 395 CA HIS A 13 -6.304 4.881 -5.649 1.00 0.00 C ATOM 396 C HIS A 13 -7.097 5.758 -6.644 1.00 0.00 C ATOM 397 O HIS A 13 -8.267 6.032 -6.449 1.00 0.00 O ATOM 398 CB HIS A 13 -7.245 3.941 -4.870 1.00 0.00 C ATOM 399 CG HIS A 13 -7.980 3.019 -5.808 1.00 0.00 C ATOM 400 ND1 HIS A 13 -9.243 2.527 -5.511 1.00 0.00 N ATOM 401 CD2 HIS A 13 -7.649 2.487 -7.030 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.622 1.740 -6.536 1.00 0.00 C ATOM 403 NE2 HIS A 13 -8.687 1.681 -7.488 1.00 0.00 N ATOM 0 H HIS A 13 -5.790 5.365 -3.631 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.572 4.340 -6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.669 3.355 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.961 4.530 -4.297 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -9.785 2.725 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.723 2.667 -7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.567 1.220 -6.583 1.00 0.00 H new ATOM 411 N ALA A 14 -6.463 6.204 -7.702 1.00 0.00 N ATOM 412 CA ALA A 14 -7.174 7.066 -8.699 1.00 0.00 C ATOM 413 C ALA A 14 -6.344 7.209 -9.986 1.00 0.00 C ATOM 414 O ALA A 14 -6.505 6.436 -10.916 1.00 0.00 O ATOM 415 CB ALA A 14 -7.355 8.415 -7.992 1.00 0.00 C ATOM 0 H ALA A 14 -5.485 6.009 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.130 6.643 -9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.870 9.108 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.945 8.275 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.379 8.822 -7.730 1.00 0.00 H new ATOM 421 N SER A 15 -5.464 8.183 -10.059 1.00 0.00 N ATOM 422 CA SER A 15 -4.637 8.354 -11.298 1.00 0.00 C ATOM 423 C SER A 15 -3.380 9.190 -11.009 1.00 0.00 C ATOM 424 O SER A 15 -3.319 10.366 -11.313 1.00 0.00 O ATOM 425 CB SER A 15 -5.552 9.072 -12.300 1.00 0.00 C ATOM 426 OG SER A 15 -5.605 8.315 -13.512 1.00 0.00 O ATOM 0 H SER A 15 -5.284 8.862 -9.319 1.00 0.00 H new ATOM 0 HA SER A 15 -4.285 7.397 -11.684 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.553 9.183 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.176 10.076 -12.500 1.00 0.00 H new ATOM 0 HG SER A 15 -6.403 8.569 -14.022 1.00 0.00 H new ATOM 432 N LEU A 16 -2.371 8.581 -10.435 1.00 0.00 N ATOM 433 CA LEU A 16 -1.102 9.325 -10.135 1.00 0.00 C ATOM 434 C LEU A 16 0.001 8.876 -11.109 1.00 0.00 C ATOM 435 O LEU A 16 -0.269 8.547 -12.252 1.00 0.00 O ATOM 436 CB LEU A 16 -0.748 8.953 -8.683 1.00 0.00 C ATOM 437 CG LEU A 16 -0.420 7.451 -8.581 1.00 0.00 C ATOM 438 CD1 LEU A 16 0.907 7.247 -7.835 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.540 6.737 -7.822 1.00 0.00 C ATOM 0 H LEU A 16 -2.369 7.599 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.208 10.404 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.105 9.542 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.582 9.196 -8.024 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.331 7.039 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.128 6.182 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.709 7.751 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.828 7.663 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.310 5.674 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.628 7.159 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.482 6.868 -8.355 1.00 0.00 H new ATOM 451 N THR A 17 1.234 8.834 -10.671 1.00 0.00 N ATOM 452 CA THR A 17 2.327 8.382 -11.563 1.00 0.00 C ATOM 453 C THR A 17 2.308 6.859 -11.663 1.00 0.00 C ATOM 454 O THR A 17 1.636 6.179 -10.910 1.00 0.00 O ATOM 455 CB THR A 17 3.619 8.831 -10.888 1.00 0.00 C ATOM 456 OG1 THR A 17 3.508 8.640 -9.480 1.00 0.00 O ATOM 457 CG2 THR A 17 3.882 10.309 -11.184 1.00 0.00 C ATOM 0 H THR A 17 1.525 9.096 -9.729 1.00 0.00 H new ATOM 0 HA THR A 17 2.228 8.791 -12.568 1.00 0.00 H new ATOM 0 HB THR A 17 4.448 8.239 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.403 8.582 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.807 10.619 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.972 10.454 -12.261 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.054 10.909 -10.805 1.00 0.00 H new ATOM 465 N ARG A 18 3.038 6.322 -12.587 1.00 0.00 N ATOM 466 CA ARG A 18 3.074 4.844 -12.745 1.00 0.00 C ATOM 467 C ARG A 18 4.121 4.217 -11.796 1.00 0.00 C ATOM 468 O ARG A 18 4.284 4.650 -10.669 1.00 0.00 O ATOM 469 CB ARG A 18 3.388 4.615 -14.227 1.00 0.00 C ATOM 470 CG ARG A 18 4.843 4.994 -14.538 1.00 0.00 C ATOM 471 CD ARG A 18 5.186 4.568 -15.968 1.00 0.00 C ATOM 472 NE ARG A 18 5.290 3.078 -15.922 1.00 0.00 N ATOM 473 CZ ARG A 18 5.980 2.447 -16.817 1.00 0.00 C ATOM 474 NH1 ARG A 18 7.258 2.638 -16.907 1.00 0.00 N ATOM 475 NH2 ARG A 18 5.384 1.629 -17.624 1.00 0.00 N ATOM 0 H ARG A 18 3.617 6.842 -13.246 1.00 0.00 H new ATOM 0 HA ARG A 18 2.134 4.363 -12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.217 3.569 -14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.713 5.209 -14.843 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.983 6.069 -14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.516 4.508 -13.831 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.415 4.887 -16.669 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.122 5.018 -16.298 1.00 0.00 H new ATOM 0 HE ARG A 18 4.816 2.557 -15.184 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.723 3.287 -16.272 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.800 2.140 -17.613 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.377 1.485 -17.552 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.922 1.128 -18.332 1.00 0.00 H new ATOM 489 N ALA A 19 4.791 3.177 -12.235 1.00 0.00 N ATOM 490 CA ALA A 19 5.798 2.463 -11.375 1.00 0.00 C ATOM 491 C ALA A 19 6.751 3.421 -10.633 1.00 0.00 C ATOM 492 O ALA A 19 7.330 3.044 -9.639 1.00 0.00 O ATOM 493 CB ALA A 19 6.593 1.594 -12.353 1.00 0.00 C ATOM 0 H ALA A 19 4.682 2.784 -13.170 1.00 0.00 H new ATOM 0 HA ALA A 19 5.295 1.896 -10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.354 1.035 -11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.919 0.897 -12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.073 2.230 -13.097 1.00 0.00 H new ATOM 499 N GLN A 20 6.921 4.644 -11.077 1.00 0.00 N ATOM 500 CA GLN A 20 7.839 5.578 -10.342 1.00 0.00 C ATOM 501 C GLN A 20 7.405 5.718 -8.865 1.00 0.00 C ATOM 502 O GLN A 20 8.232 5.810 -7.975 1.00 0.00 O ATOM 503 CB GLN A 20 7.750 6.921 -11.097 1.00 0.00 C ATOM 504 CG GLN A 20 6.523 7.733 -10.661 1.00 0.00 C ATOM 505 CD GLN A 20 6.777 8.504 -9.353 1.00 0.00 C ATOM 506 OE1 GLN A 20 5.838 8.862 -8.674 1.00 0.00 O ATOM 507 NE2 GLN A 20 7.990 8.790 -8.967 1.00 0.00 N ATOM 0 H GLN A 20 6.471 5.034 -11.905 1.00 0.00 H new ATOM 0 HA GLN A 20 8.865 5.212 -10.317 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.655 7.502 -10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.701 6.734 -12.170 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.254 8.436 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.673 7.063 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.787 8.494 -9.530 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.141 9.309 -8.102 1.00 0.00 H new ATOM 516 N ALA A 21 6.116 5.714 -8.601 1.00 0.00 N ATOM 517 CA ALA A 21 5.624 5.832 -7.189 1.00 0.00 C ATOM 518 C ALA A 21 5.974 4.559 -6.409 1.00 0.00 C ATOM 519 O ALA A 21 6.513 4.608 -5.318 1.00 0.00 O ATOM 520 CB ALA A 21 4.103 5.990 -7.311 1.00 0.00 C ATOM 0 H ALA A 21 5.383 5.634 -9.306 1.00 0.00 H new ATOM 0 HA ALA A 21 6.076 6.669 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.666 6.083 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.875 6.884 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.685 5.116 -7.811 1.00 0.00 H new ATOM 526 N GLU A 22 5.676 3.425 -6.981 1.00 0.00 N ATOM 527 CA GLU A 22 5.977 2.121 -6.315 1.00 0.00 C ATOM 528 C GLU A 22 7.485 1.898 -6.227 1.00 0.00 C ATOM 529 O GLU A 22 8.003 1.481 -5.207 1.00 0.00 O ATOM 530 CB GLU A 22 5.342 1.073 -7.223 1.00 0.00 C ATOM 531 CG GLU A 22 3.851 1.367 -7.382 1.00 0.00 C ATOM 532 CD GLU A 22 3.086 0.059 -7.335 1.00 0.00 C ATOM 533 OE1 GLU A 22 2.984 -0.567 -8.372 1.00 0.00 O ATOM 534 OE2 GLU A 22 2.630 -0.303 -6.261 1.00 0.00 O ATOM 0 H GLU A 22 5.230 3.343 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 22 5.593 2.080 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.830 1.078 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.484 0.078 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.511 2.032 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.666 1.878 -8.327 1.00 0.00 H new ATOM 541 N HIS A 23 8.196 2.186 -7.283 1.00 0.00 N ATOM 542 CA HIS A 23 9.672 2.002 -7.263 1.00 0.00 C ATOM 543 C HIS A 23 10.279 2.933 -6.213 1.00 0.00 C ATOM 544 O HIS A 23 11.172 2.547 -5.481 1.00 0.00 O ATOM 545 CB HIS A 23 10.143 2.371 -8.676 1.00 0.00 C ATOM 546 CG HIS A 23 11.254 1.449 -9.097 1.00 0.00 C ATOM 547 ND1 HIS A 23 12.589 1.809 -9.006 1.00 0.00 N ATOM 548 CD2 HIS A 23 11.245 0.178 -9.618 1.00 0.00 C ATOM 549 CE1 HIS A 23 13.322 0.775 -9.463 1.00 0.00 C ATOM 550 NE2 HIS A 23 12.551 -0.245 -9.848 1.00 0.00 N ATOM 0 H HIS A 23 7.816 2.542 -8.160 1.00 0.00 H new ATOM 0 HA HIS A 23 9.973 0.987 -7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.312 2.298 -9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.488 3.405 -8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.358 -0.405 -9.819 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.401 0.772 -9.512 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.854 -1.141 -10.229 1.00 0.00 H new ATOM 558 N MET A 24 9.783 4.149 -6.104 1.00 0.00 N ATOM 559 CA MET A 24 10.340 5.068 -5.068 1.00 0.00 C ATOM 560 C MET A 24 9.957 4.565 -3.674 1.00 0.00 C ATOM 561 O MET A 24 10.793 4.456 -2.806 1.00 0.00 O ATOM 562 CB MET A 24 9.697 6.435 -5.336 1.00 0.00 C ATOM 563 CG MET A 24 10.043 7.410 -4.196 1.00 0.00 C ATOM 564 SD MET A 24 9.228 8.999 -4.494 1.00 0.00 S ATOM 565 CE MET A 24 10.218 9.510 -5.922 1.00 0.00 C ATOM 0 H MET A 24 9.032 4.533 -6.678 1.00 0.00 H new ATOM 0 HA MET A 24 11.428 5.124 -5.112 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.052 6.833 -6.287 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.615 6.328 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.721 6.998 -3.240 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.123 7.548 -4.136 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.152 10.591 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.258 9.226 -5.764 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.841 9.021 -6.820 1.00 0.00 H new ATOM 575 N LEU A 25 8.701 4.253 -3.460 1.00 0.00 N ATOM 576 CA LEU A 25 8.260 3.767 -2.113 1.00 0.00 C ATOM 577 C LEU A 25 9.001 2.487 -1.701 1.00 0.00 C ATOM 578 O LEU A 25 9.420 2.353 -0.573 1.00 0.00 O ATOM 579 CB LEU A 25 6.754 3.521 -2.237 1.00 0.00 C ATOM 580 CG LEU A 25 6.009 4.587 -1.431 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.998 5.908 -2.197 1.00 0.00 C ATOM 582 CD2 LEU A 25 4.578 4.130 -1.185 1.00 0.00 C ATOM 0 H LEU A 25 7.962 4.314 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 25 8.486 4.498 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.451 3.559 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.503 2.526 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 25 6.516 4.732 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.466 6.661 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.023 6.238 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.498 5.769 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.047 4.889 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.075 3.980 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.586 3.193 -0.628 1.00 0.00 H new ATOM 594 N MET A 26 9.180 1.548 -2.586 1.00 0.00 N ATOM 595 CA MET A 26 9.911 0.302 -2.189 1.00 0.00 C ATOM 596 C MET A 26 11.410 0.600 -1.983 1.00 0.00 C ATOM 597 O MET A 26 12.042 0.070 -1.085 1.00 0.00 O ATOM 598 CB MET A 26 9.710 -0.669 -3.356 1.00 0.00 C ATOM 599 CG MET A 26 8.695 -1.741 -2.958 1.00 0.00 C ATOM 600 SD MET A 26 7.021 -1.121 -3.254 1.00 0.00 S ATOM 601 CE MET A 26 7.027 -1.327 -5.049 1.00 0.00 C ATOM 0 H MET A 26 8.860 1.582 -3.554 1.00 0.00 H new ATOM 0 HA MET A 26 9.540 -0.109 -1.250 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.359 -0.129 -4.236 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.659 -1.133 -3.624 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.865 -2.651 -3.534 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.818 -2.002 -1.907 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.123 -0.886 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.902 -0.830 -5.469 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.060 -2.389 -5.293 1.00 0.00 H new ATOM 611 N ARG A 27 11.979 1.424 -2.829 1.00 0.00 N ATOM 612 CA ARG A 27 13.441 1.752 -2.730 1.00 0.00 C ATOM 613 C ARG A 27 13.771 2.844 -1.687 1.00 0.00 C ATOM 614 O ARG A 27 14.930 3.039 -1.368 1.00 0.00 O ATOM 615 CB ARG A 27 13.833 2.206 -4.141 1.00 0.00 C ATOM 616 CG ARG A 27 13.559 3.710 -4.323 1.00 0.00 C ATOM 617 CD ARG A 27 14.839 4.416 -4.783 1.00 0.00 C ATOM 618 NE ARG A 27 15.795 4.314 -3.634 1.00 0.00 N ATOM 619 CZ ARG A 27 16.979 4.832 -3.729 1.00 0.00 C ATOM 620 NH1 ARG A 27 17.887 4.246 -4.446 1.00 0.00 N ATOM 621 NH2 ARG A 27 17.248 5.934 -3.105 1.00 0.00 N ATOM 0 H ARG A 27 11.489 1.890 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 27 14.000 0.883 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.889 2.000 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.271 1.636 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.766 3.859 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.211 4.142 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.248 3.942 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.642 5.458 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 27 15.514 3.837 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.669 3.378 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.819 4.653 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.530 6.390 -2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.178 6.346 -3.176 1.00 0.00 H new ATOM 635 N VAL A 28 12.805 3.611 -1.226 1.00 0.00 N ATOM 636 CA VAL A 28 13.111 4.736 -0.257 1.00 0.00 C ATOM 637 C VAL A 28 14.095 4.332 0.855 1.00 0.00 C ATOM 638 O VAL A 28 14.297 3.164 1.139 1.00 0.00 O ATOM 639 CB VAL A 28 11.780 5.160 0.373 1.00 0.00 C ATOM 640 CG1 VAL A 28 10.950 5.915 -0.656 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.008 3.938 0.871 1.00 0.00 C ATOM 0 H VAL A 28 11.820 3.512 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 28 13.590 5.546 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 28 11.983 5.809 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.003 6.217 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.495 6.800 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.757 5.269 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.066 4.259 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.806 3.270 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.602 3.413 1.619 1.00 0.00 H new ATOM 651 N PRO A 29 14.670 5.346 1.453 1.00 0.00 N ATOM 652 CA PRO A 29 15.658 5.151 2.555 1.00 0.00 C ATOM 653 C PRO A 29 15.016 4.533 3.813 1.00 0.00 C ATOM 654 O PRO A 29 15.511 3.559 4.350 1.00 0.00 O ATOM 655 CB PRO A 29 16.151 6.573 2.835 1.00 0.00 C ATOM 656 CG PRO A 29 15.045 7.461 2.356 1.00 0.00 C ATOM 657 CD PRO A 29 14.456 6.775 1.163 1.00 0.00 C ATOM 0 HA PRO A 29 16.454 4.458 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.347 6.722 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.082 6.780 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.295 7.605 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.423 8.448 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.397 7.008 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.952 7.077 0.240 1.00 0.00 H new ATOM 665 N ARG A 30 13.939 5.096 4.302 1.00 0.00 N ATOM 666 CA ARG A 30 13.305 4.541 5.542 1.00 0.00 C ATOM 667 C ARG A 30 12.397 3.341 5.245 1.00 0.00 C ATOM 668 O ARG A 30 12.010 3.088 4.121 1.00 0.00 O ATOM 669 CB ARG A 30 12.475 5.688 6.122 1.00 0.00 C ATOM 670 CG ARG A 30 13.276 6.432 7.199 1.00 0.00 C ATOM 671 CD ARG A 30 13.772 5.461 8.279 1.00 0.00 C ATOM 672 NE ARG A 30 15.234 5.745 8.397 1.00 0.00 N ATOM 673 CZ ARG A 30 16.043 5.477 7.417 1.00 0.00 C ATOM 674 NH1 ARG A 30 16.308 4.248 7.100 1.00 0.00 N ATOM 675 NH2 ARG A 30 16.588 6.448 6.764 1.00 0.00 N ATOM 0 H ARG A 30 13.473 5.910 3.901 1.00 0.00 H new ATOM 0 HA ARG A 30 14.068 4.179 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.191 6.379 5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.552 5.298 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.126 6.939 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.653 7.202 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.258 5.625 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.591 4.425 7.994 1.00 0.00 H new ATOM 0 HE ARG A 30 15.601 6.154 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.880 3.483 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.944 4.046 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.382 7.414 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.225 6.250 5.992 1.00 0.00 H new ATOM 689 N ASP A 31 12.044 2.616 6.275 1.00 0.00 N ATOM 690 CA ASP A 31 11.148 1.434 6.113 1.00 0.00 C ATOM 691 C ASP A 31 9.683 1.874 6.278 1.00 0.00 C ATOM 692 O ASP A 31 9.298 2.434 7.288 1.00 0.00 O ATOM 693 CB ASP A 31 11.564 0.446 7.220 1.00 0.00 C ATOM 694 CG ASP A 31 13.080 0.503 7.445 1.00 0.00 C ATOM 695 OD1 ASP A 31 13.813 0.232 6.504 1.00 0.00 O ATOM 696 OD2 ASP A 31 13.478 0.826 8.558 1.00 0.00 O ATOM 0 H ASP A 31 12.343 2.796 7.233 1.00 0.00 H new ATOM 0 HA ASP A 31 11.234 0.974 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.043 0.688 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.269 -0.566 6.943 1.00 0.00 H new ATOM 701 N GLY A 32 8.876 1.635 5.278 1.00 0.00 N ATOM 702 CA GLY A 32 7.433 2.038 5.340 1.00 0.00 C ATOM 703 C GLY A 32 6.919 2.267 3.916 1.00 0.00 C ATOM 704 O GLY A 32 6.651 1.329 3.197 1.00 0.00 O ATOM 0 H GLY A 32 9.154 1.174 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.846 1.262 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.321 2.947 5.932 1.00 0.00 H new ATOM 708 N ALA A 33 6.802 3.508 3.507 1.00 0.00 N ATOM 709 CA ALA A 33 6.331 3.836 2.117 1.00 0.00 C ATOM 710 C ALA A 33 5.058 3.060 1.722 1.00 0.00 C ATOM 711 O ALA A 33 5.105 1.904 1.348 1.00 0.00 O ATOM 712 CB ALA A 33 7.502 3.453 1.212 1.00 0.00 C ATOM 0 H ALA A 33 7.015 4.322 4.084 1.00 0.00 H new ATOM 0 HA ALA A 33 6.056 4.888 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.243 3.661 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.381 4.034 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.718 2.391 1.326 1.00 0.00 H new ATOM 718 N PHE A 34 3.923 3.708 1.775 1.00 0.00 N ATOM 719 CA PHE A 34 2.638 3.031 1.387 1.00 0.00 C ATOM 720 C PHE A 34 1.916 3.875 0.328 1.00 0.00 C ATOM 721 O PHE A 34 1.751 5.069 0.499 1.00 0.00 O ATOM 722 CB PHE A 34 1.793 2.955 2.673 1.00 0.00 C ATOM 723 CG PHE A 34 2.689 2.844 3.889 1.00 0.00 C ATOM 724 CD1 PHE A 34 3.204 1.600 4.270 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.012 3.992 4.624 1.00 0.00 C ATOM 726 CE1 PHE A 34 4.041 1.503 5.388 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.850 3.895 5.738 1.00 0.00 C ATOM 728 CZ PHE A 34 4.364 2.652 6.121 1.00 0.00 C ATOM 0 H PHE A 34 3.825 4.679 2.070 1.00 0.00 H new ATOM 0 HA PHE A 34 2.809 2.040 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.165 3.842 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.125 2.095 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.956 0.715 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.613 4.952 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.437 0.543 5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.101 4.780 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.011 2.578 6.983 1.00 0.00 H new ATOM 738 N LEU A 35 1.475 3.280 -0.758 1.00 0.00 N ATOM 739 CA LEU A 35 0.757 4.082 -1.805 1.00 0.00 C ATOM 740 C LEU A 35 0.281 3.167 -2.934 1.00 0.00 C ATOM 741 O LEU A 35 0.956 2.232 -3.314 1.00 0.00 O ATOM 742 CB LEU A 35 1.769 5.149 -2.295 1.00 0.00 C ATOM 743 CG LEU A 35 2.224 4.892 -3.739 1.00 0.00 C ATOM 744 CD1 LEU A 35 1.238 5.545 -4.708 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.609 5.511 -3.947 1.00 0.00 C ATOM 0 H LEU A 35 1.579 2.286 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.138 4.567 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.314 6.137 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.638 5.154 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 35 2.263 3.818 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.561 5.363 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.246 5.120 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.204 6.619 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.938 5.332 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.559 6.584 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.318 5.058 -3.254 1.00 0.00 H new ATOM 757 N VAL A 36 -0.876 3.430 -3.472 1.00 0.00 N ATOM 758 CA VAL A 36 -1.392 2.577 -4.583 1.00 0.00 C ATOM 759 C VAL A 36 -1.269 3.341 -5.915 1.00 0.00 C ATOM 760 O VAL A 36 -1.877 4.380 -6.113 1.00 0.00 O ATOM 761 CB VAL A 36 -2.856 2.263 -4.219 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.887 1.301 -3.030 1.00 0.00 C ATOM 763 CG2 VAL A 36 -3.611 3.543 -3.839 1.00 0.00 C ATOM 0 H VAL A 36 -1.488 4.197 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.830 1.651 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.338 1.813 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.922 1.077 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.371 0.378 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.390 1.762 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.642 3.296 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.128 4.009 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.600 4.235 -4.681 1.00 0.00 H new ATOM 773 N ARG A 37 -0.461 2.843 -6.816 1.00 0.00 N ATOM 774 CA ARG A 37 -0.250 3.542 -8.126 1.00 0.00 C ATOM 775 C ARG A 37 -1.131 2.940 -9.235 1.00 0.00 C ATOM 776 O ARG A 37 -1.619 1.825 -9.126 1.00 0.00 O ATOM 777 CB ARG A 37 1.259 3.366 -8.413 1.00 0.00 C ATOM 778 CG ARG A 37 1.515 2.929 -9.866 1.00 0.00 C ATOM 779 CD ARG A 37 1.113 1.459 -10.056 1.00 0.00 C ATOM 780 NE ARG A 37 2.340 0.772 -10.564 1.00 0.00 N ATOM 781 CZ ARG A 37 2.724 0.889 -11.810 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.085 1.646 -12.644 1.00 0.00 N ATOM 783 NH2 ARG A 37 3.751 0.235 -12.233 1.00 0.00 N ATOM 0 H ARG A 37 0.066 1.977 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.535 4.594 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.778 4.304 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.675 2.624 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.946 3.560 -10.549 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.569 3.060 -10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.777 1.019 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.289 1.366 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 37 2.891 0.199 -9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.264 2.166 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.403 1.722 -13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.265 -0.374 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.050 0.327 -13.204 1.00 0.00 H new ATOM 797 N LYS A 38 -1.320 3.669 -10.312 1.00 0.00 N ATOM 798 CA LYS A 38 -2.146 3.145 -11.441 1.00 0.00 C ATOM 799 C LYS A 38 -1.263 2.260 -12.321 1.00 0.00 C ATOM 800 O LYS A 38 -0.145 2.618 -12.645 1.00 0.00 O ATOM 801 CB LYS A 38 -2.625 4.382 -12.208 1.00 0.00 C ATOM 802 CG LYS A 38 -3.906 4.042 -12.978 1.00 0.00 C ATOM 803 CD LYS A 38 -4.472 5.313 -13.618 1.00 0.00 C ATOM 804 CE LYS A 38 -5.953 5.111 -13.959 1.00 0.00 C ATOM 805 NZ LYS A 38 -6.663 6.240 -13.291 1.00 0.00 N ATOM 0 H LYS A 38 -0.937 4.603 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.993 2.545 -11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.811 5.203 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.851 4.717 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.694 3.299 -13.747 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.642 3.603 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.359 6.156 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.912 5.556 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.115 5.126 -15.037 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.313 4.149 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.601 6.365 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.774 6.030 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.110 7.114 -13.405 1.00 0.00 H new ATOM 819 N ARG A 39 -1.733 1.097 -12.681 1.00 0.00 N ATOM 820 CA ARG A 39 -0.901 0.173 -13.511 1.00 0.00 C ATOM 821 C ARG A 39 -1.398 0.137 -14.961 1.00 0.00 C ATOM 822 O ARG A 39 -2.548 0.417 -15.236 1.00 0.00 O ATOM 823 CB ARG A 39 -1.071 -1.192 -12.843 1.00 0.00 C ATOM 824 CG ARG A 39 0.302 -1.827 -12.606 1.00 0.00 C ATOM 825 CD ARG A 39 0.137 -3.327 -12.332 1.00 0.00 C ATOM 826 NE ARG A 39 -0.672 -3.848 -13.475 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.100 -4.474 -14.450 1.00 0.00 C ATOM 828 NH1 ARG A 39 0.800 -3.878 -15.157 1.00 0.00 N ATOM 829 NH2 ARG A 39 -0.450 -5.690 -14.725 1.00 0.00 N ATOM 0 H ARG A 39 -2.658 0.744 -12.437 1.00 0.00 H new ATOM 0 HA ARG A 39 0.142 0.486 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.599 -1.081 -11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.679 -1.842 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.939 -1.674 -13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.795 -1.345 -11.762 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.105 -3.826 -12.275 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.367 -3.500 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.682 -3.709 -13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.059 -2.914 -14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.253 -4.371 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.174 -6.149 -14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.001 -6.188 -15.494 1.00 0.00 H new ATOM 843 N ASN A 40 -0.534 -0.198 -15.889 1.00 0.00 N ATOM 844 CA ASN A 40 -0.952 -0.243 -17.325 1.00 0.00 C ATOM 845 C ASN A 40 -2.084 -1.264 -17.535 1.00 0.00 C ATOM 846 O ASN A 40 -3.060 -0.975 -18.198 1.00 0.00 O ATOM 847 CB ASN A 40 0.306 -0.644 -18.105 1.00 0.00 C ATOM 848 CG ASN A 40 0.181 -0.170 -19.555 1.00 0.00 C ATOM 849 OD1 ASN A 40 0.206 1.011 -19.824 1.00 0.00 O ATOM 850 ND2 ASN A 40 0.040 -1.046 -20.505 1.00 0.00 N ATOM 0 H ASN A 40 0.441 -0.442 -15.714 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.343 0.717 -17.663 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.189 -0.204 -17.642 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.436 -1.726 -18.075 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.049 -0.738 -21.473 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.019 -2.041 -20.282 1.00 0.00 H new ATOM 857 N GLU A 41 -1.971 -2.446 -16.971 1.00 0.00 N ATOM 858 CA GLU A 41 -3.060 -3.464 -17.144 1.00 0.00 C ATOM 859 C GLU A 41 -4.361 -2.958 -16.502 1.00 0.00 C ATOM 860 O GLU A 41 -4.346 -2.482 -15.375 1.00 0.00 O ATOM 861 CB GLU A 41 -2.573 -4.738 -16.423 1.00 0.00 C ATOM 862 CG GLU A 41 -3.756 -5.692 -16.181 1.00 0.00 C ATOM 863 CD GLU A 41 -3.963 -6.628 -17.377 1.00 0.00 C ATOM 864 OE1 GLU A 41 -3.442 -6.346 -18.443 1.00 0.00 O ATOM 865 OE2 GLU A 41 -4.650 -7.621 -17.195 1.00 0.00 O ATOM 0 H GLU A 41 -1.179 -2.748 -16.403 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.265 -3.655 -18.197 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.811 -5.236 -17.022 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.109 -4.473 -15.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.575 -6.281 -15.282 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.663 -5.114 -16.006 1.00 0.00 H new ATOM 872 N PRO A 42 -5.451 -3.105 -17.218 1.00 0.00 N ATOM 873 CA PRO A 42 -6.770 -2.683 -16.679 1.00 0.00 C ATOM 874 C PRO A 42 -7.135 -3.591 -15.493 1.00 0.00 C ATOM 875 O PRO A 42 -6.777 -4.756 -15.470 1.00 0.00 O ATOM 876 CB PRO A 42 -7.718 -2.873 -17.868 1.00 0.00 C ATOM 877 CG PRO A 42 -7.045 -3.894 -18.727 1.00 0.00 C ATOM 878 CD PRO A 42 -5.565 -3.674 -18.568 1.00 0.00 C ATOM 0 HA PRO A 42 -6.802 -1.660 -16.303 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.700 -3.215 -17.541 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.869 -1.938 -18.408 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.323 -4.903 -18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.344 -3.783 -19.769 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.008 -4.606 -18.660 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.176 -2.994 -19.325 1.00 0.00 H new ATOM 886 N ASN A 43 -7.812 -3.071 -14.494 1.00 0.00 N ATOM 887 CA ASN A 43 -8.153 -3.917 -13.303 1.00 0.00 C ATOM 888 C ASN A 43 -6.861 -4.493 -12.720 1.00 0.00 C ATOM 889 O ASN A 43 -6.690 -5.698 -12.600 1.00 0.00 O ATOM 890 CB ASN A 43 -9.033 -5.043 -13.844 1.00 0.00 C ATOM 891 CG ASN A 43 -10.350 -5.075 -13.069 1.00 0.00 C ATOM 892 OD1 ASN A 43 -11.012 -4.068 -12.947 1.00 0.00 O ATOM 893 ND2 ASN A 43 -10.762 -6.185 -12.533 1.00 0.00 N ATOM 0 H ASN A 43 -8.141 -2.106 -14.451 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.660 -3.355 -12.519 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.227 -4.890 -14.906 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.519 -5.999 -13.748 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.639 -6.205 -12.013 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.208 -7.036 -12.633 1.00 0.00 H new ATOM 900 N SER A 44 -5.925 -3.646 -12.408 1.00 0.00 N ATOM 901 CA SER A 44 -4.628 -4.146 -11.887 1.00 0.00 C ATOM 902 C SER A 44 -3.878 -3.052 -11.105 1.00 0.00 C ATOM 903 O SER A 44 -2.664 -3.008 -11.087 1.00 0.00 O ATOM 904 CB SER A 44 -3.901 -4.584 -13.163 1.00 0.00 C ATOM 905 OG SER A 44 -3.037 -3.548 -13.628 1.00 0.00 O ATOM 0 H SER A 44 -6.002 -2.632 -12.491 1.00 0.00 H new ATOM 0 HA SER A 44 -4.722 -4.958 -11.166 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.323 -5.487 -12.967 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.628 -4.833 -13.936 1.00 0.00 H new ATOM 0 HG SER A 44 -3.566 -2.860 -14.084 1.00 0.00 H new ATOM 911 N TYR A 45 -4.602 -2.196 -10.420 1.00 0.00 N ATOM 912 CA TYR A 45 -3.942 -1.127 -9.595 1.00 0.00 C ATOM 913 C TYR A 45 -2.934 -1.783 -8.623 1.00 0.00 C ATOM 914 O TYR A 45 -3.141 -2.897 -8.182 1.00 0.00 O ATOM 915 CB TYR A 45 -5.105 -0.480 -8.843 1.00 0.00 C ATOM 916 CG TYR A 45 -4.831 0.981 -8.601 1.00 0.00 C ATOM 917 CD1 TYR A 45 -5.083 1.931 -9.601 1.00 0.00 C ATOM 918 CD2 TYR A 45 -4.355 1.386 -7.361 1.00 0.00 C ATOM 919 CE1 TYR A 45 -4.844 3.291 -9.348 1.00 0.00 C ATOM 920 CE2 TYR A 45 -4.123 2.734 -7.106 1.00 0.00 C ATOM 921 CZ TYR A 45 -4.364 3.691 -8.097 1.00 0.00 C ATOM 922 OH TYR A 45 -4.131 5.028 -7.836 1.00 0.00 O ATOM 0 H TYR A 45 -5.622 -2.190 -10.396 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.381 -0.398 -10.180 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.025 -0.593 -9.417 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.259 -0.989 -7.892 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.460 1.617 -10.563 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.164 0.652 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.030 4.026 -10.117 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.755 3.043 -6.139 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.483 5.111 -7.105 1.00 0.00 H new ATOM 932 N ALA A 46 -1.832 -1.140 -8.312 1.00 0.00 N ATOM 933 CA ALA A 46 -0.830 -1.803 -7.409 1.00 0.00 C ATOM 934 C ALA A 46 -0.734 -1.148 -6.020 1.00 0.00 C ATOM 935 O ALA A 46 -1.265 -0.082 -5.781 1.00 0.00 O ATOM 936 CB ALA A 46 0.492 -1.687 -8.157 1.00 0.00 C ATOM 0 H ALA A 46 -1.584 -0.205 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.118 -2.834 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.285 -2.148 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.412 -2.195 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.726 -0.635 -8.321 1.00 0.00 H new ATOM 942 N ILE A 47 -0.058 -1.811 -5.102 1.00 0.00 N ATOM 943 CA ILE A 47 0.092 -1.279 -3.700 1.00 0.00 C ATOM 944 C ILE A 47 1.573 -1.147 -3.319 1.00 0.00 C ATOM 945 O ILE A 47 2.273 -2.128 -3.179 1.00 0.00 O ATOM 946 CB ILE A 47 -0.557 -2.334 -2.791 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.064 -2.418 -3.059 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.332 -1.962 -1.326 1.00 0.00 C ATOM 949 CD1 ILE A 47 -2.722 -3.299 -1.995 1.00 0.00 C ATOM 0 H ILE A 47 0.401 -2.707 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.365 -0.294 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.100 -3.301 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.503 -1.421 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.245 -2.831 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.794 -2.713 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.738 -1.919 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.779 -0.989 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.794 -3.359 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.290 -4.299 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.552 -2.867 -1.009 1.00 0.00 H new ATOM 961 N SER A 48 2.050 0.046 -3.119 1.00 0.00 N ATOM 962 CA SER A 48 3.479 0.217 -2.714 1.00 0.00 C ATOM 963 C SER A 48 3.615 -0.061 -1.212 1.00 0.00 C ATOM 964 O SER A 48 2.992 0.595 -0.401 1.00 0.00 O ATOM 965 CB SER A 48 3.810 1.678 -3.021 1.00 0.00 C ATOM 966 OG SER A 48 3.711 1.920 -4.424 1.00 0.00 O ATOM 0 H SER A 48 1.518 0.911 -3.217 1.00 0.00 H new ATOM 0 HA SER A 48 4.150 -0.464 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.127 2.335 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.817 1.911 -2.674 1.00 0.00 H new ATOM 0 HG SER A 48 3.399 1.108 -4.875 1.00 0.00 H new ATOM 972 N PHE A 49 4.402 -1.037 -0.830 1.00 0.00 N ATOM 973 CA PHE A 49 4.543 -1.348 0.627 1.00 0.00 C ATOM 974 C PHE A 49 5.979 -1.758 0.974 1.00 0.00 C ATOM 975 O PHE A 49 6.433 -2.825 0.602 1.00 0.00 O ATOM 976 CB PHE A 49 3.582 -2.519 0.863 1.00 0.00 C ATOM 977 CG PHE A 49 2.632 -2.186 1.988 1.00 0.00 C ATOM 978 CD1 PHE A 49 1.429 -1.530 1.711 1.00 0.00 C ATOM 979 CD2 PHE A 49 2.949 -2.540 3.305 1.00 0.00 C ATOM 980 CE1 PHE A 49 0.540 -1.228 2.748 1.00 0.00 C ATOM 981 CE2 PHE A 49 2.060 -2.236 4.344 1.00 0.00 C ATOM 982 CZ PHE A 49 0.855 -1.581 4.064 1.00 0.00 C ATOM 0 H PHE A 49 4.948 -1.627 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 49 4.317 -0.483 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.021 -2.730 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.146 -3.420 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.186 -1.256 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.878 -3.047 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.390 -0.722 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.304 -2.507 5.361 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.168 -1.348 4.864 1.00 0.00 H new ATOM 992 N ARG A 50 6.694 -0.935 1.702 1.00 0.00 N ATOM 993 CA ARG A 50 8.088 -1.309 2.083 1.00 0.00 C ATOM 994 C ARG A 50 8.090 -1.898 3.497 1.00 0.00 C ATOM 995 O ARG A 50 7.833 -1.211 4.470 1.00 0.00 O ATOM 996 CB ARG A 50 8.894 -0.004 2.045 1.00 0.00 C ATOM 997 CG ARG A 50 10.379 -0.317 2.228 1.00 0.00 C ATOM 998 CD ARG A 50 11.211 0.891 1.796 1.00 0.00 C ATOM 999 NE ARG A 50 12.627 0.429 1.890 1.00 0.00 N ATOM 1000 CZ ARG A 50 13.318 0.650 2.967 1.00 0.00 C ATOM 1001 NH1 ARG A 50 13.173 -0.124 3.997 1.00 0.00 N ATOM 1002 NH2 ARG A 50 14.154 1.632 3.001 1.00 0.00 N ATOM 0 H ARG A 50 6.375 -0.029 2.045 1.00 0.00 H new ATOM 0 HA ARG A 50 8.513 -2.056 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.733 0.508 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.554 0.669 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.585 -0.560 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.653 -1.191 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.962 1.201 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.030 1.748 2.444 1.00 0.00 H new ATOM 0 HE ARG A 50 13.054 -0.063 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.517 -0.904 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.715 0.048 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.270 2.231 2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.699 1.809 3.845 1.00 0.00 H new ATOM 1016 N ALA A 51 8.397 -3.156 3.625 1.00 0.00 N ATOM 1017 CA ALA A 51 8.432 -3.777 4.978 1.00 0.00 C ATOM 1018 C ALA A 51 9.840 -4.300 5.268 1.00 0.00 C ATOM 1019 O ALA A 51 10.668 -4.411 4.379 1.00 0.00 O ATOM 1020 CB ALA A 51 7.414 -4.920 4.924 1.00 0.00 C ATOM 0 H ALA A 51 8.625 -3.782 2.853 1.00 0.00 H new ATOM 0 HA ALA A 51 8.188 -3.071 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.384 -5.426 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.427 -4.518 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.705 -5.631 4.150 1.00 0.00 H new ATOM 1026 N GLU A 52 10.126 -4.608 6.503 1.00 0.00 N ATOM 1027 CA GLU A 52 11.490 -5.112 6.851 1.00 0.00 C ATOM 1028 C GLU A 52 11.792 -6.423 6.102 1.00 0.00 C ATOM 1029 O GLU A 52 11.268 -7.479 6.416 1.00 0.00 O ATOM 1030 CB GLU A 52 11.456 -5.317 8.368 1.00 0.00 C ATOM 1031 CG GLU A 52 10.317 -6.277 8.774 1.00 0.00 C ATOM 1032 CD GLU A 52 10.859 -7.353 9.720 1.00 0.00 C ATOM 1033 OE1 GLU A 52 11.546 -6.993 10.667 1.00 0.00 O ATOM 1034 OE2 GLU A 52 10.579 -8.520 9.480 1.00 0.00 O ATOM 0 H GLU A 52 9.477 -4.534 7.287 1.00 0.00 H new ATOM 0 HA GLU A 52 12.280 -4.419 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.412 -5.718 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.321 -4.356 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.516 -5.721 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.887 -6.742 7.887 1.00 0.00 H new ATOM 1041 N GLY A 53 12.619 -6.349 5.084 1.00 0.00 N ATOM 1042 CA GLY A 53 12.950 -7.568 4.279 1.00 0.00 C ATOM 1043 C GLY A 53 11.662 -8.174 3.706 1.00 0.00 C ATOM 1044 O GLY A 53 11.602 -9.352 3.414 1.00 0.00 O ATOM 0 H GLY A 53 13.080 -5.493 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.632 -7.307 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.462 -8.300 4.904 1.00 0.00 H new ATOM 1048 N LYS A 54 10.631 -7.376 3.550 1.00 0.00 N ATOM 1049 CA LYS A 54 9.341 -7.895 3.008 1.00 0.00 C ATOM 1050 C LYS A 54 8.795 -6.952 1.938 1.00 0.00 C ATOM 1051 O LYS A 54 8.245 -5.911 2.242 1.00 0.00 O ATOM 1052 CB LYS A 54 8.385 -7.925 4.207 1.00 0.00 C ATOM 1053 CG LYS A 54 7.998 -9.368 4.524 1.00 0.00 C ATOM 1054 CD LYS A 54 9.173 -10.054 5.216 1.00 0.00 C ATOM 1055 CE LYS A 54 9.043 -9.896 6.735 1.00 0.00 C ATOM 1056 NZ LYS A 54 10.418 -9.561 7.212 1.00 0.00 N ATOM 0 H LYS A 54 10.632 -6.382 3.777 1.00 0.00 H new ATOM 0 HA LYS A 54 9.462 -8.875 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.861 -7.467 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.492 -7.339 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.117 -9.390 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.738 -9.899 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.196 -11.111 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.112 -9.619 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.335 -9.108 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.678 -10.814 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.389 -9.339 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.048 -10.373 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.776 -8.738 6.687 1.00 0.00 H new ATOM 1070 N ILE A 55 8.922 -7.307 0.691 1.00 0.00 N ATOM 1071 CA ILE A 55 8.375 -6.427 -0.376 1.00 0.00 C ATOM 1072 C ILE A 55 7.826 -7.282 -1.527 1.00 0.00 C ATOM 1073 O ILE A 55 8.557 -7.997 -2.187 1.00 0.00 O ATOM 1074 CB ILE A 55 9.547 -5.546 -0.823 1.00 0.00 C ATOM 1075 CG1 ILE A 55 9.777 -4.464 0.240 1.00 0.00 C ATOM 1076 CG2 ILE A 55 9.223 -4.877 -2.166 1.00 0.00 C ATOM 1077 CD1 ILE A 55 10.632 -3.337 -0.333 1.00 0.00 C ATOM 0 H ILE A 55 9.377 -8.161 0.367 1.00 0.00 H new ATOM 0 HA ILE A 55 7.545 -5.812 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 55 10.441 -6.159 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.820 -4.068 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.269 -4.898 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.062 -4.254 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.044 -5.643 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.332 -4.258 -2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.789 -2.575 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.595 -3.736 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.123 -2.894 -1.189 1.00 0.00 H new ATOM 1089 N LYS A 56 6.542 -7.216 -1.770 1.00 0.00 N ATOM 1090 CA LYS A 56 5.939 -8.025 -2.876 1.00 0.00 C ATOM 1091 C LYS A 56 4.580 -7.438 -3.285 1.00 0.00 C ATOM 1092 O LYS A 56 3.534 -8.000 -3.014 1.00 0.00 O ATOM 1093 CB LYS A 56 5.780 -9.444 -2.302 1.00 0.00 C ATOM 1094 CG LYS A 56 4.981 -9.400 -0.992 1.00 0.00 C ATOM 1095 CD LYS A 56 3.787 -10.360 -1.069 1.00 0.00 C ATOM 1096 CE LYS A 56 2.474 -9.578 -0.918 1.00 0.00 C ATOM 1097 NZ LYS A 56 1.878 -9.583 -2.282 1.00 0.00 N ATOM 0 H LYS A 56 5.883 -6.636 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 56 6.560 -8.026 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.272 -10.082 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.761 -9.884 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.624 -9.674 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.630 -8.385 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.797 -10.890 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.864 -11.113 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.811 -10.051 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.655 -8.562 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.904 -9.220 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.444 -8.978 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.868 -10.554 -2.653 1.00 0.00 H new ATOM 1111 N HIS A 57 4.580 -6.313 -3.937 1.00 0.00 N ATOM 1112 CA HIS A 57 3.278 -5.705 -4.346 1.00 0.00 C ATOM 1113 C HIS A 57 2.843 -6.210 -5.729 1.00 0.00 C ATOM 1114 O HIS A 57 3.626 -6.757 -6.486 1.00 0.00 O ATOM 1115 CB HIS A 57 3.515 -4.193 -4.349 1.00 0.00 C ATOM 1116 CG HIS A 57 4.372 -3.785 -5.517 1.00 0.00 C ATOM 1117 ND1 HIS A 57 4.212 -2.564 -6.149 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.398 -4.416 -6.176 1.00 0.00 C ATOM 1119 CE1 HIS A 57 5.119 -2.501 -7.139 1.00 0.00 C ATOM 1120 NE2 HIS A 57 5.868 -3.603 -7.197 1.00 0.00 N ATOM 0 H HIS A 57 5.413 -5.789 -4.204 1.00 0.00 H new ATOM 0 HA HIS A 57 2.473 -5.978 -3.664 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.559 -3.671 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.997 -3.895 -3.418 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.531 -1.844 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.781 -5.397 -5.936 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.228 -1.659 -7.807 1.00 0.00 H new ATOM 1128 N CYS A 58 1.584 -6.052 -6.039 1.00 0.00 N ATOM 1129 CA CYS A 58 1.058 -6.543 -7.346 1.00 0.00 C ATOM 1130 C CYS A 58 -0.218 -5.780 -7.752 1.00 0.00 C ATOM 1131 O CYS A 58 -0.525 -4.741 -7.206 1.00 0.00 O ATOM 1132 CB CYS A 58 0.780 -8.028 -7.124 1.00 0.00 C ATOM 1133 SG CYS A 58 2.091 -9.010 -7.896 1.00 0.00 S ATOM 0 H CYS A 58 0.893 -5.601 -5.439 1.00 0.00 H new ATOM 0 HA CYS A 58 1.765 -6.384 -8.161 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.730 -8.244 -6.057 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.187 -8.295 -7.549 1.00 0.00 H new ATOM 0 HG CYS A 58 3.245 -8.466 -7.646 1.00 0.00 H new ATOM 1139 N ARG A 59 -0.934 -6.274 -8.736 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.163 -5.570 -9.226 1.00 0.00 C ATOM 1141 C ARG A 59 -3.440 -6.050 -8.514 1.00 0.00 C ATOM 1142 O ARG A 59 -3.547 -7.180 -8.099 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.219 -5.923 -10.722 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.126 -7.143 -10.952 1.00 0.00 C ATOM 1145 CD ARG A 59 -2.865 -7.727 -12.340 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.179 -8.277 -12.781 1.00 0.00 N ATOM 1147 CZ ARG A 59 -4.585 -8.076 -13.994 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -4.053 -8.740 -14.969 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -5.524 -7.217 -14.228 1.00 0.00 N ATOM 0 H ARG A 59 -0.717 -7.143 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.114 -4.499 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.594 -5.071 -11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.215 -6.134 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.937 -7.897 -10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.173 -6.852 -10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.506 -6.962 -13.029 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.103 -8.506 -12.304 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.756 -8.809 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.316 -9.420 -14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.371 -8.584 -15.926 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.944 -6.698 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.844 -7.059 -15.184 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.416 -5.192 -8.402 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.710 -5.578 -7.753 1.00 0.00 C ATOM 1165 C VAL A 60 -6.856 -5.429 -8.773 1.00 0.00 C ATOM 1166 O VAL A 60 -6.731 -4.711 -9.747 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.870 -4.601 -6.573 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -6.058 -3.173 -7.087 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -7.087 -4.988 -5.730 1.00 0.00 C ATOM 0 H VAL A 60 -4.376 -4.229 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.727 -6.612 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.968 -4.653 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.170 -2.494 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.188 -2.880 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.950 -3.125 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.190 -4.291 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.984 -4.952 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.955 -5.998 -5.342 1.00 0.00 H new ATOM 1179 N GLN A 61 -7.971 -6.083 -8.561 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.110 -5.946 -9.523 1.00 0.00 C ATOM 1181 C GLN A 61 -10.060 -4.870 -9.000 1.00 0.00 C ATOM 1182 O GLN A 61 -10.697 -5.037 -7.985 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.786 -7.320 -9.551 1.00 0.00 C ATOM 1184 CG GLN A 61 -8.866 -8.327 -10.254 1.00 0.00 C ATOM 1185 CD GLN A 61 -9.675 -9.172 -11.238 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -10.045 -8.707 -12.296 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -9.965 -10.403 -10.937 1.00 0.00 N ATOM 0 H GLN A 61 -8.142 -6.702 -7.769 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.797 -5.651 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.999 -7.653 -8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.741 -7.257 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.071 -7.800 -10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.386 -8.971 -9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.656 -10.797 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.502 -10.975 -11.589 1.00 0.00 H new ATOM 1196 N GLN A 62 -10.134 -3.752 -9.661 1.00 0.00 N ATOM 1197 CA GLN A 62 -11.016 -2.651 -9.166 1.00 0.00 C ATOM 1198 C GLN A 62 -12.333 -2.576 -9.948 1.00 0.00 C ATOM 1199 O GLN A 62 -12.354 -2.295 -11.130 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.187 -1.373 -9.353 1.00 0.00 C ATOM 1201 CG GLN A 62 -9.936 -1.129 -10.847 1.00 0.00 C ATOM 1202 CD GLN A 62 -8.455 -0.839 -11.091 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -7.630 -1.731 -11.058 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -8.079 0.377 -11.345 1.00 0.00 N ATOM 0 H GLN A 62 -9.625 -3.548 -10.521 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.309 -2.808 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.712 -0.522 -8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.237 -1.464 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.243 -2.002 -11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.540 -0.291 -11.193 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.768 1.128 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.094 0.581 -11.516 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.438 -2.789 -9.285 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.751 -2.691 -9.984 1.00 0.00 C ATOM 1215 C GLU A 63 -15.409 -1.383 -9.565 1.00 0.00 C ATOM 1216 O GLU A 63 -15.392 -1.038 -8.397 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.583 -3.884 -9.497 1.00 0.00 C ATOM 1218 CG GLU A 63 -14.750 -5.173 -9.546 1.00 0.00 C ATOM 1219 CD GLU A 63 -14.297 -5.462 -10.985 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -15.104 -5.305 -11.889 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -13.146 -5.836 -11.157 1.00 0.00 O ATOM 0 H GLU A 63 -13.488 -3.026 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.655 -2.707 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.927 -3.704 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.472 -3.994 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.880 -5.077 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.339 -6.009 -9.168 1.00 0.00 H new ATOM 1228 N GLY A 64 -15.981 -0.637 -10.482 1.00 0.00 N ATOM 1229 CA GLY A 64 -16.625 0.649 -10.070 1.00 0.00 C ATOM 1230 C GLY A 64 -17.799 0.317 -9.154 1.00 0.00 C ATOM 1231 O GLY A 64 -18.923 0.212 -9.599 1.00 0.00 O ATOM 0 H GLY A 64 -16.029 -0.857 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.907 1.286 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.969 1.200 -10.945 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.503 0.144 -7.878 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.509 -0.214 -6.823 1.00 0.00 C ATOM 1237 C GLN A 65 -17.829 -1.160 -5.821 1.00 0.00 C ATOM 1238 O GLN A 65 -18.170 -1.177 -4.652 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.684 -0.935 -7.512 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.645 -1.508 -6.458 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.079 -2.919 -6.864 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.019 -3.087 -7.612 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -20.432 -3.947 -6.398 1.00 0.00 N ATOM 0 H GLN A 65 -16.555 0.243 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.876 0.670 -6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.217 -0.240 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.307 -1.738 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.157 -1.534 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.518 -0.863 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.641 -3.809 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -20.716 -4.891 -6.662 1.00 0.00 H new ATOM 1252 N THR A 66 -16.862 -1.953 -6.264 1.00 0.00 N ATOM 1253 CA THR A 66 -16.178 -2.891 -5.313 1.00 0.00 C ATOM 1254 C THR A 66 -14.830 -3.400 -5.853 1.00 0.00 C ATOM 1255 O THR A 66 -14.784 -4.236 -6.730 1.00 0.00 O ATOM 1256 CB THR A 66 -17.124 -4.095 -5.155 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.456 -3.658 -4.908 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.659 -4.963 -3.985 1.00 0.00 C ATOM 0 H THR A 66 -16.527 -1.986 -7.227 1.00 0.00 H new ATOM 0 HA THR A 66 -15.972 -2.373 -4.376 1.00 0.00 H new ATOM 0 HB THR A 66 -17.105 -4.672 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.436 -2.806 -4.425 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.330 -5.815 -3.875 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.647 -5.320 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.668 -4.373 -3.068 1.00 0.00 H new ATOM 1266 N VAL A 67 -13.733 -2.946 -5.310 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.400 -3.458 -5.771 1.00 0.00 C ATOM 1268 C VAL A 67 -12.126 -4.826 -5.131 1.00 0.00 C ATOM 1269 O VAL A 67 -12.560 -5.112 -4.029 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.367 -2.429 -5.295 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -9.951 -2.897 -5.657 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.641 -1.078 -5.963 1.00 0.00 C ATOM 0 H VAL A 67 -13.697 -2.245 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.362 -3.584 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.444 -2.326 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.225 -2.159 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.750 -3.854 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.871 -3.010 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.906 -0.348 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.571 -1.186 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.641 -0.736 -5.696 1.00 0.00 H new ATOM 1282 N MET A 68 -11.414 -5.674 -5.809 1.00 0.00 N ATOM 1283 CA MET A 68 -11.119 -7.016 -5.243 1.00 0.00 C ATOM 1284 C MET A 68 -9.655 -7.394 -5.469 1.00 0.00 C ATOM 1285 O MET A 68 -9.183 -7.485 -6.589 1.00 0.00 O ATOM 1286 CB MET A 68 -12.033 -7.982 -6.007 1.00 0.00 C ATOM 1287 CG MET A 68 -13.478 -7.824 -5.531 1.00 0.00 C ATOM 1288 SD MET A 68 -14.406 -9.318 -5.961 1.00 0.00 S ATOM 1289 CE MET A 68 -16.063 -8.672 -5.622 1.00 0.00 C ATOM 0 H MET A 68 -11.022 -5.497 -6.734 1.00 0.00 H new ATOM 0 HA MET A 68 -11.290 -7.043 -4.167 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.971 -7.785 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.701 -9.009 -5.852 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.504 -7.662 -4.453 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.934 -6.950 -5.996 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.698 -9.477 -5.252 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.000 -7.885 -4.871 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.490 -8.265 -6.539 1.00 0.00 H new ATOM 1299 N LEU A 69 -8.946 -7.647 -4.411 1.00 0.00 N ATOM 1300 CA LEU A 69 -7.524 -8.066 -4.537 1.00 0.00 C ATOM 1301 C LEU A 69 -7.487 -9.572 -4.827 1.00 0.00 C ATOM 1302 O LEU A 69 -8.512 -10.191 -5.061 1.00 0.00 O ATOM 1303 CB LEU A 69 -6.906 -7.768 -3.172 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.434 -7.397 -3.352 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -5.193 -5.995 -2.801 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.558 -8.394 -2.596 1.00 0.00 C ATOM 0 H LEU A 69 -9.292 -7.581 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.990 -7.554 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.442 -6.951 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.996 -8.638 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.182 -7.423 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.144 -5.729 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.816 -5.281 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.447 -5.972 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.509 -8.128 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.810 -8.369 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.729 -9.397 -2.986 1.00 0.00 H new ATOM 1318 N GLY A 70 -6.335 -10.179 -4.805 1.00 0.00 N ATOM 1319 CA GLY A 70 -6.282 -11.643 -5.072 1.00 0.00 C ATOM 1320 C GLY A 70 -6.585 -12.344 -3.754 1.00 0.00 C ATOM 1321 O GLY A 70 -5.705 -12.602 -2.959 1.00 0.00 O ATOM 0 H GLY A 70 -5.438 -9.732 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.009 -11.923 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.300 -11.932 -5.446 1.00 0.00 H new ATOM 1325 N ASN A 71 -7.862 -12.593 -3.524 1.00 0.00 N ATOM 1326 CA ASN A 71 -8.361 -13.235 -2.257 1.00 0.00 C ATOM 1327 C ASN A 71 -8.670 -12.151 -1.203 1.00 0.00 C ATOM 1328 O ASN A 71 -8.311 -12.274 -0.047 1.00 0.00 O ATOM 1329 CB ASN A 71 -7.262 -14.192 -1.767 1.00 0.00 C ATOM 1330 CG ASN A 71 -7.875 -15.269 -0.871 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -7.927 -16.421 -1.239 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -8.349 -14.941 0.295 1.00 0.00 N ATOM 0 H ASN A 71 -8.603 -12.368 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.284 -13.788 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.764 -14.655 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.502 -13.637 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.763 -15.654 0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.307 -13.971 0.608 1.00 0.00 H new ATOM 1339 N SER A 72 -9.346 -11.091 -1.600 1.00 0.00 N ATOM 1340 CA SER A 72 -9.700 -9.996 -0.629 1.00 0.00 C ATOM 1341 C SER A 72 -10.595 -8.933 -1.301 1.00 0.00 C ATOM 1342 O SER A 72 -10.112 -8.024 -1.960 1.00 0.00 O ATOM 1343 CB SER A 72 -8.363 -9.380 -0.197 1.00 0.00 C ATOM 1344 OG SER A 72 -8.489 -8.844 1.119 1.00 0.00 O ATOM 0 H SER A 72 -9.668 -10.937 -2.556 1.00 0.00 H new ATOM 0 HA SER A 72 -10.261 -10.383 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.578 -10.136 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.070 -8.595 -0.894 1.00 0.00 H new ATOM 0 HG SER A 72 -8.732 -9.560 1.742 1.00 0.00 H new ATOM 1350 N GLU A 73 -11.896 -9.034 -1.125 1.00 0.00 N ATOM 1351 CA GLU A 73 -12.835 -8.025 -1.730 1.00 0.00 C ATOM 1352 C GLU A 73 -12.906 -6.791 -0.818 1.00 0.00 C ATOM 1353 O GLU A 73 -13.073 -6.913 0.380 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.196 -8.736 -1.804 1.00 0.00 C ATOM 1355 CG GLU A 73 -15.338 -7.709 -1.784 1.00 0.00 C ATOM 1356 CD GLU A 73 -16.664 -8.424 -1.528 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -16.938 -8.734 -0.380 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -17.383 -8.652 -2.483 1.00 0.00 O ATOM 0 H GLU A 73 -12.349 -9.773 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.515 -7.683 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.252 -9.334 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.301 -9.423 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.158 -6.965 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.378 -7.176 -2.734 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.759 -5.610 -1.364 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.792 -4.386 -0.503 1.00 0.00 C ATOM 1367 C PHE A 74 -13.249 -3.156 -1.287 1.00 0.00 C ATOM 1368 O PHE A 74 -13.075 -3.079 -2.489 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.336 -4.202 -0.078 1.00 0.00 C ATOM 1370 CG PHE A 74 -11.096 -4.860 1.261 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -12.027 -4.722 2.295 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -9.942 -5.615 1.458 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -11.802 -5.344 3.528 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -9.711 -6.237 2.692 1.00 0.00 C ATOM 1375 CZ PHE A 74 -10.644 -6.103 3.727 1.00 0.00 C ATOM 0 H PHE A 74 -12.619 -5.440 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.487 -4.496 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.673 -4.634 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.099 -3.140 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.920 -4.135 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.224 -5.721 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.522 -5.238 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.814 -6.819 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.470 -6.585 4.678 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.781 -2.161 -0.625 1.00 0.00 N ATOM 1386 CA ASP A 75 -14.170 -0.946 -1.378 1.00 0.00 C ATOM 1387 C ASP A 75 -12.911 -0.096 -1.563 1.00 0.00 C ATOM 1388 O ASP A 75 -12.425 0.550 -0.653 1.00 0.00 O ATOM 1389 CB ASP A 75 -15.207 -0.228 -0.511 1.00 0.00 C ATOM 1390 CG ASP A 75 -16.085 0.646 -1.405 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -15.581 1.632 -1.916 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -17.243 0.309 -1.574 1.00 0.00 O ATOM 0 H ASP A 75 -13.957 -2.141 0.379 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.590 -1.157 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.819 -0.955 0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.710 0.384 0.242 1.00 0.00 H new ATOM 1397 N SER A 76 -12.377 -0.140 -2.748 1.00 0.00 N ATOM 1398 CA SER A 76 -11.121 0.595 -3.088 1.00 0.00 C ATOM 1399 C SER A 76 -9.949 -0.005 -2.311 1.00 0.00 C ATOM 1400 O SER A 76 -10.122 -0.588 -1.255 1.00 0.00 O ATOM 1401 CB SER A 76 -11.346 2.054 -2.693 1.00 0.00 C ATOM 1402 OG SER A 76 -10.496 2.882 -3.485 1.00 0.00 O ATOM 0 H SER A 76 -12.770 -0.672 -3.524 1.00 0.00 H new ATOM 0 HA SER A 76 -10.885 0.520 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.390 2.329 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.130 2.196 -1.634 1.00 0.00 H new ATOM 0 HG SER A 76 -9.587 2.861 -3.120 1.00 0.00 H new ATOM 1408 N LEU A 77 -8.751 0.129 -2.812 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.581 -0.436 -2.073 1.00 0.00 C ATOM 1410 C LEU A 77 -7.517 0.178 -0.666 1.00 0.00 C ATOM 1411 O LEU A 77 -7.047 -0.443 0.266 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.355 -0.060 -2.899 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.175 -1.081 -4.028 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -5.898 -0.346 -5.342 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -4.995 -1.998 -3.705 1.00 0.00 C ATOM 0 H LEU A 77 -8.531 0.599 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.647 -1.517 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.474 0.941 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.468 -0.040 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.084 -1.675 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.770 -1.072 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.737 0.310 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.990 0.248 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.868 -2.724 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.087 -1.402 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.187 -2.523 -2.769 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.027 1.380 -0.507 1.00 0.00 N ATOM 1428 CA VAL A 78 -8.041 2.035 0.833 1.00 0.00 C ATOM 1429 C VAL A 78 -8.664 1.097 1.875 1.00 0.00 C ATOM 1430 O VAL A 78 -8.342 1.174 3.041 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.911 3.287 0.652 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -10.399 2.902 0.682 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.625 4.274 1.787 1.00 0.00 C ATOM 0 H VAL A 78 -8.436 1.935 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.038 2.280 1.184 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.677 3.747 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.009 3.796 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.609 2.200 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.635 2.437 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.242 5.163 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.857 3.806 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.572 4.557 1.767 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.547 0.217 1.463 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.182 -0.721 2.427 1.00 0.00 C ATOM 1445 C ASP A 79 -9.109 -1.683 2.975 1.00 0.00 C ATOM 1446 O ASP A 79 -8.695 -1.580 4.119 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.251 -1.461 1.622 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.504 -1.688 2.482 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -12.399 -1.619 3.696 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -13.551 -1.940 1.908 1.00 0.00 O ATOM 0 H ASP A 79 -9.852 0.113 0.495 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.627 -0.220 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.511 -0.885 0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.859 -2.418 1.278 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.630 -2.599 2.156 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.552 -3.539 2.632 1.00 0.00 C ATOM 1457 C LEU A 80 -6.351 -2.725 3.143 1.00 0.00 C ATOM 1458 O LEU A 80 -5.762 -3.044 4.168 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.125 -4.484 1.468 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.285 -3.860 0.068 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.000 -3.137 -0.327 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -7.561 -4.968 -0.952 1.00 0.00 C ATOM 0 H LEU A 80 -8.933 -2.736 1.192 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.932 -4.151 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.083 -4.772 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.718 -5.397 1.518 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.113 -3.151 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.119 -2.698 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.789 -2.349 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.173 -3.847 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.675 -4.530 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.728 -5.671 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.477 -5.493 -0.680 1.00 0.00 H new ATOM 1474 N ILE A 81 -6.002 -1.652 2.466 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.867 -0.812 2.953 1.00 0.00 C ATOM 1476 C ILE A 81 -5.207 -0.291 4.349 1.00 0.00 C ATOM 1477 O ILE A 81 -4.360 -0.237 5.218 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.727 0.350 1.965 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.191 -0.155 0.617 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.744 1.375 2.534 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.924 -0.987 0.831 1.00 0.00 C ATOM 0 H ILE A 81 -6.450 -1.328 1.609 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.935 -1.374 3.013 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.706 0.804 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.950 -0.757 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.974 0.690 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.639 2.205 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.118 1.748 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.773 0.903 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.553 -1.340 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.162 -0.373 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.153 -1.842 1.467 1.00 0.00 H new ATOM 1493 N SER A 82 -6.451 0.074 4.579 1.00 0.00 N ATOM 1494 CA SER A 82 -6.846 0.559 5.936 1.00 0.00 C ATOM 1495 C SER A 82 -6.627 -0.565 6.943 1.00 0.00 C ATOM 1496 O SER A 82 -6.097 -0.356 8.018 1.00 0.00 O ATOM 1497 CB SER A 82 -8.327 0.905 5.857 1.00 0.00 C ATOM 1498 OG SER A 82 -8.475 2.133 5.164 1.00 0.00 O ATOM 0 H SER A 82 -7.201 0.056 3.888 1.00 0.00 H new ATOM 0 HA SER A 82 -6.261 1.424 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.872 0.114 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.750 0.984 6.859 1.00 0.00 H new ATOM 0 HG SER A 82 -8.415 1.973 4.199 1.00 0.00 H new ATOM 1504 N TYR A 83 -7.012 -1.770 6.581 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.801 -2.933 7.498 1.00 0.00 C ATOM 1506 C TYR A 83 -5.315 -3.016 7.857 1.00 0.00 C ATOM 1507 O TYR A 83 -4.956 -3.178 9.004 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.250 -4.172 6.709 1.00 0.00 C ATOM 1509 CG TYR A 83 -8.706 -4.451 6.995 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -9.704 -3.829 6.234 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.059 -5.332 8.024 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -11.053 -4.087 6.503 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.408 -5.589 8.291 1.00 0.00 C ATOM 1514 CZ TYR A 83 -11.403 -4.968 7.531 1.00 0.00 C ATOM 1515 OH TYR A 83 -12.729 -5.225 7.796 1.00 0.00 O ATOM 0 H TYR A 83 -7.461 -1.994 5.693 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.361 -2.846 8.429 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.103 -4.009 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.642 -5.033 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.432 -3.150 5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.291 -5.813 8.611 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.823 -3.606 5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.681 -6.268 9.085 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.797 -5.859 8.540 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.448 -2.869 6.882 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.973 -2.902 7.169 1.00 0.00 C ATOM 1527 C TYR A 84 -2.558 -1.616 7.911 1.00 0.00 C ATOM 1528 O TYR A 84 -1.693 -1.630 8.768 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.294 -2.965 5.797 1.00 0.00 C ATOM 1530 CG TYR A 84 -1.549 -4.273 5.636 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -0.380 -4.522 6.371 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -2.023 -5.232 4.735 1.00 0.00 C ATOM 1533 CE1 TYR A 84 0.310 -5.733 6.203 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -1.331 -6.437 4.565 1.00 0.00 C ATOM 1535 CZ TYR A 84 -0.168 -6.689 5.296 1.00 0.00 C ATOM 1536 OH TYR A 84 0.508 -7.877 5.109 1.00 0.00 O ATOM 0 H TYR A 84 -4.695 -2.728 5.902 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.694 -3.748 7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.041 -2.865 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.603 -2.130 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.011 -3.782 7.066 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.924 -5.043 4.170 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.207 -5.928 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.698 -7.174 3.866 1.00 0.00 H new ATOM 0 HH TYR A 84 1.301 -7.896 5.684 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.190 -0.507 7.591 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.872 0.789 8.270 1.00 0.00 C ATOM 1548 C GLU A 85 -3.194 0.673 9.763 1.00 0.00 C ATOM 1549 O GLU A 85 -2.543 1.256 10.608 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.796 1.813 7.598 1.00 0.00 C ATOM 1551 CG GLU A 85 -3.782 3.140 8.378 1.00 0.00 C ATOM 1552 CD GLU A 85 -5.212 3.577 8.719 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -6.139 3.113 8.073 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -5.358 4.381 9.624 1.00 0.00 O ATOM 0 H GLU A 85 -3.920 -0.447 6.881 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.822 1.070 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.474 1.984 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.812 1.421 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.203 3.024 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.291 3.912 7.785 1.00 0.00 H new ATOM 1561 N LYS A 86 -4.205 -0.079 10.081 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.602 -0.253 11.499 1.00 0.00 C ATOM 1563 C LYS A 86 -3.959 -1.527 12.092 1.00 0.00 C ATOM 1564 O LYS A 86 -3.573 -1.551 13.248 1.00 0.00 O ATOM 1565 CB LYS A 86 -6.126 -0.349 11.422 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.749 0.763 12.267 1.00 0.00 C ATOM 1567 CD LYS A 86 -6.771 2.073 11.465 1.00 0.00 C ATOM 1568 CE LYS A 86 -6.498 3.251 12.404 1.00 0.00 C ATOM 1569 NZ LYS A 86 -6.785 4.475 11.597 1.00 0.00 N ATOM 0 H LYS A 86 -4.780 -0.587 9.409 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.274 0.555 12.153 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.455 -0.261 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.459 -1.323 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.762 0.487 12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.178 0.898 13.186 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.020 2.041 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.739 2.198 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.134 3.205 13.288 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.466 3.244 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.445 5.315 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.300 4.407 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.810 4.556 11.442 1.00 0.00 H new ATOM 1583 N HIS A 87 -3.820 -2.571 11.305 1.00 0.00 N ATOM 1584 CA HIS A 87 -3.184 -3.836 11.810 1.00 0.00 C ATOM 1585 C HIS A 87 -1.963 -4.221 10.938 1.00 0.00 C ATOM 1586 O HIS A 87 -1.973 -5.238 10.267 1.00 0.00 O ATOM 1587 CB HIS A 87 -4.287 -4.900 11.712 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.070 -5.956 12.762 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -3.304 -7.089 12.531 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -4.521 -6.068 14.054 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -3.320 -7.826 13.659 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -4.046 -7.248 14.617 1.00 0.00 N ATOM 0 H HIS A 87 -4.121 -2.602 10.331 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.810 -3.730 12.829 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.265 -4.437 11.845 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.281 -5.353 10.721 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.817 -7.322 11.665 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.150 -5.348 14.557 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.807 -8.770 13.773 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.944 -3.384 10.989 1.00 0.00 N ATOM 1601 CA PRO A 88 0.307 -3.631 10.212 1.00 0.00 C ATOM 1602 C PRO A 88 1.177 -4.673 10.940 1.00 0.00 C ATOM 1603 O PRO A 88 1.288 -5.797 10.506 1.00 0.00 O ATOM 1604 CB PRO A 88 0.979 -2.258 10.190 1.00 0.00 C ATOM 1605 CG PRO A 88 0.462 -1.544 11.407 1.00 0.00 C ATOM 1606 CD PRO A 88 -0.870 -2.143 11.766 1.00 0.00 C ATOM 0 HA PRO A 88 0.137 -4.027 9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.065 -2.351 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.731 -1.713 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.162 -1.648 12.236 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.359 -0.477 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.939 -2.341 12.836 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.688 -1.469 11.513 1.00 0.00 H new ATOM 1614 N LEU A 89 1.772 -4.280 12.052 1.00 0.00 N ATOM 1615 CA LEU A 89 2.630 -5.201 12.897 1.00 0.00 C ATOM 1616 C LEU A 89 4.057 -5.393 12.341 1.00 0.00 C ATOM 1617 O LEU A 89 4.809 -6.190 12.865 1.00 0.00 O ATOM 1618 CB LEU A 89 1.899 -6.560 13.009 1.00 0.00 C ATOM 1619 CG LEU A 89 0.727 -6.476 14.005 1.00 0.00 C ATOM 1620 CD1 LEU A 89 1.177 -5.803 15.303 1.00 0.00 C ATOM 1621 CD2 LEU A 89 -0.423 -5.673 13.393 1.00 0.00 C ATOM 0 H LEU A 89 1.698 -3.332 12.422 1.00 0.00 H new ATOM 0 HA LEU A 89 2.762 -4.743 13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.527 -6.859 12.029 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.601 -7.329 13.332 1.00 0.00 H new ATOM 0 HG LEU A 89 0.389 -7.489 14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.337 -5.751 15.996 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.984 -6.382 15.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.531 -4.795 15.086 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.247 -5.619 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.079 -4.666 13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.763 -6.162 12.480 1.00 0.00 H new ATOM 1633 N TYR A 90 4.466 -4.657 11.335 1.00 0.00 N ATOM 1634 CA TYR A 90 5.877 -4.804 10.832 1.00 0.00 C ATOM 1635 C TYR A 90 6.802 -3.974 11.744 1.00 0.00 C ATOM 1636 O TYR A 90 7.380 -4.486 12.684 1.00 0.00 O ATOM 1637 CB TYR A 90 5.870 -4.247 9.402 1.00 0.00 C ATOM 1638 CG TYR A 90 5.482 -5.323 8.411 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.285 -6.460 8.247 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.321 -5.173 7.643 1.00 0.00 C ATOM 1641 CE1 TYR A 90 5.921 -7.445 7.316 1.00 0.00 C ATOM 1642 CE2 TYR A 90 3.963 -6.155 6.713 1.00 0.00 C ATOM 1643 CZ TYR A 90 4.761 -7.291 6.550 1.00 0.00 C ATOM 1644 OH TYR A 90 4.400 -8.259 5.630 1.00 0.00 O ATOM 0 H TYR A 90 3.896 -3.969 10.843 1.00 0.00 H new ATOM 0 HA TYR A 90 6.230 -5.835 10.838 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.170 -3.414 9.334 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.857 -3.856 9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.182 -6.578 8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.701 -4.298 7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.537 -8.323 7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.068 -6.035 6.120 1.00 0.00 H new ATOM 0 HH TYR A 90 4.229 -7.838 4.762 1.00 0.00 H new ATOM 1654 N ARG A 91 6.910 -2.688 11.488 1.00 0.00 N ATOM 1655 CA ARG A 91 7.758 -1.782 12.341 1.00 0.00 C ATOM 1656 C ARG A 91 7.858 -0.385 11.703 1.00 0.00 C ATOM 1657 O ARG A 91 7.990 -0.247 10.504 1.00 0.00 O ATOM 1658 CB ARG A 91 9.152 -2.431 12.460 1.00 0.00 C ATOM 1659 CG ARG A 91 9.671 -2.890 11.092 1.00 0.00 C ATOM 1660 CD ARG A 91 10.809 -3.899 11.303 1.00 0.00 C ATOM 1661 NE ARG A 91 11.962 -3.371 10.506 1.00 0.00 N ATOM 1662 CZ ARG A 91 13.156 -3.884 10.646 1.00 0.00 C ATOM 1663 NH1 ARG A 91 13.308 -5.161 10.830 1.00 0.00 N ATOM 1664 NH2 ARG A 91 14.198 -3.114 10.584 1.00 0.00 N ATOM 0 H ARG A 91 6.440 -2.220 10.713 1.00 0.00 H new ATOM 0 HA ARG A 91 7.315 -1.657 13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.852 -1.718 12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.102 -3.284 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.865 -3.346 10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.028 -2.035 10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.067 -3.985 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.520 -4.894 10.964 1.00 0.00 H new ATOM 0 HE ARG A 91 11.814 -2.605 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.492 -5.772 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.243 -5.553 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.084 -2.113 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.132 -3.510 10.693 1.00 0.00 H new ATOM 1678 N LYS A 92 7.788 0.643 12.515 1.00 0.00 N ATOM 1679 CA LYS A 92 7.873 2.064 12.022 1.00 0.00 C ATOM 1680 C LYS A 92 6.979 2.345 10.791 1.00 0.00 C ATOM 1681 O LYS A 92 7.266 3.234 10.013 1.00 0.00 O ATOM 1682 CB LYS A 92 9.368 2.312 11.718 1.00 0.00 C ATOM 1683 CG LYS A 92 9.770 1.807 10.314 1.00 0.00 C ATOM 1684 CD LYS A 92 10.905 2.684 9.756 1.00 0.00 C ATOM 1685 CE LYS A 92 12.004 2.896 10.808 1.00 0.00 C ATOM 1686 NZ LYS A 92 12.802 1.635 10.802 1.00 0.00 N ATOM 0 H LYS A 92 7.673 0.558 13.525 1.00 0.00 H new ATOM 0 HA LYS A 92 7.494 2.749 12.780 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.580 3.379 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.978 1.812 12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.093 0.768 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.910 1.838 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.331 2.214 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.504 3.648 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.626 3.756 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.575 3.086 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.540 1.688 11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.177 0.828 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.246 1.510 9.870 1.00 0.00 H new ATOM 1700 N MET A 93 5.885 1.640 10.616 1.00 0.00 N ATOM 1701 CA MET A 93 5.007 1.942 9.437 1.00 0.00 C ATOM 1702 C MET A 93 3.549 2.150 9.891 1.00 0.00 C ATOM 1703 O MET A 93 3.211 3.208 10.387 1.00 0.00 O ATOM 1704 CB MET A 93 5.165 0.755 8.467 1.00 0.00 C ATOM 1705 CG MET A 93 5.125 -0.583 9.208 1.00 0.00 C ATOM 1706 SD MET A 93 4.177 -1.762 8.218 1.00 0.00 S ATOM 1707 CE MET A 93 5.424 -2.010 6.931 1.00 0.00 C ATOM 0 H MET A 93 5.566 0.885 11.223 1.00 0.00 H new ATOM 0 HA MET A 93 5.293 2.868 8.938 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.370 0.784 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.109 0.846 7.929 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.136 -0.955 9.373 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.667 -0.459 10.189 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.078 -2.770 6.231 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.588 -1.074 6.398 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.359 -2.336 7.388 1.00 0.00 H new ATOM 1717 N LYS A 94 2.687 1.169 9.718 1.00 0.00 N ATOM 1718 CA LYS A 94 1.256 1.314 10.137 1.00 0.00 C ATOM 1719 C LYS A 94 0.557 2.406 9.303 1.00 0.00 C ATOM 1720 O LYS A 94 -0.353 3.071 9.770 1.00 0.00 O ATOM 1721 CB LYS A 94 1.305 1.693 11.629 1.00 0.00 C ATOM 1722 CG LYS A 94 -0.098 1.605 12.231 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.032 0.931 13.605 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.431 0.444 13.994 1.00 0.00 C ATOM 1725 NZ LYS A 94 -1.230 -0.421 15.195 1.00 0.00 N ATOM 0 H LYS A 94 2.919 0.268 9.301 1.00 0.00 H new ATOM 0 HA LYS A 94 0.686 0.398 9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.982 1.025 12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.698 2.703 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.526 2.603 12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.753 1.038 11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.664 0.093 13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.342 1.633 14.350 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.090 1.282 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.893 -0.115 13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.148 -0.789 15.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.605 -1.215 14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.796 0.138 15.957 1.00 0.00 H new ATOM 1739 N LEU A 95 0.984 2.593 8.070 1.00 0.00 N ATOM 1740 CA LEU A 95 0.363 3.640 7.190 1.00 0.00 C ATOM 1741 C LEU A 95 0.368 4.993 7.920 1.00 0.00 C ATOM 1742 O LEU A 95 -0.635 5.689 8.007 1.00 0.00 O ATOM 1743 CB LEU A 95 -1.064 3.137 6.919 1.00 0.00 C ATOM 1744 CG LEU A 95 -1.079 2.072 5.800 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -1.340 2.744 4.454 1.00 0.00 C ATOM 1746 CD2 LEU A 95 0.249 1.315 5.722 1.00 0.00 C ATOM 0 H LEU A 95 1.739 2.062 7.636 1.00 0.00 H new ATOM 0 HA LEU A 95 0.904 3.792 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.483 2.714 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.700 3.975 6.635 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.871 1.360 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.350 1.990 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.304 3.252 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.553 3.470 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.200 0.575 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.057 2.017 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.438 0.813 6.671 1.00 0.00 H new ATOM 1758 N ARG A 96 1.511 5.351 8.457 1.00 0.00 N ATOM 1759 CA ARG A 96 1.649 6.640 9.205 1.00 0.00 C ATOM 1760 C ARG A 96 3.130 7.047 9.295 1.00 0.00 C ATOM 1761 O ARG A 96 3.576 7.555 10.307 1.00 0.00 O ATOM 1762 CB ARG A 96 1.108 6.340 10.608 1.00 0.00 C ATOM 1763 CG ARG A 96 -0.309 6.899 10.756 1.00 0.00 C ATOM 1764 CD ARG A 96 -1.267 5.755 11.098 1.00 0.00 C ATOM 1765 NE ARG A 96 -2.361 6.394 11.890 1.00 0.00 N ATOM 1766 CZ ARG A 96 -2.435 6.223 13.174 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -1.357 6.190 13.894 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -3.596 6.101 13.734 1.00 0.00 N ATOM 0 H ARG A 96 2.365 4.796 8.407 1.00 0.00 H new ATOM 0 HA ARG A 96 1.116 7.456 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.103 5.264 10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.762 6.781 11.360 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.334 7.657 11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.620 7.386 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.656 5.283 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.765 4.978 11.674 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.057 6.970 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.445 6.299 13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.422 6.055 14.903 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.443 6.140 13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.664 5.966 14.743 1.00 0.00 H new ATOM 1782 N TYR A 97 3.900 6.826 8.254 1.00 0.00 N ATOM 1783 CA TYR A 97 5.342 7.196 8.296 1.00 0.00 C ATOM 1784 C TYR A 97 5.820 7.551 6.883 1.00 0.00 C ATOM 1785 O TYR A 97 5.415 6.917 5.922 1.00 0.00 O ATOM 1786 CB TYR A 97 6.048 5.938 8.815 1.00 0.00 C ATOM 1787 CG TYR A 97 7.491 6.255 9.136 1.00 0.00 C ATOM 1788 CD1 TYR A 97 7.806 7.119 10.192 1.00 0.00 C ATOM 1789 CD2 TYR A 97 8.513 5.680 8.375 1.00 0.00 C ATOM 1790 CE1 TYR A 97 9.146 7.407 10.484 1.00 0.00 C ATOM 1791 CE2 TYR A 97 9.850 5.969 8.668 1.00 0.00 C ATOM 1792 CZ TYR A 97 10.166 6.831 9.721 1.00 0.00 C ATOM 1793 OH TYR A 97 11.486 7.112 10.004 1.00 0.00 O ATOM 0 H TYR A 97 3.587 6.405 7.379 1.00 0.00 H new ATOM 0 HA TYR A 97 5.544 8.061 8.927 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.541 5.567 9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.998 5.147 8.067 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.017 7.563 10.781 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.270 5.013 7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.391 8.073 11.298 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.639 5.525 8.079 1.00 0.00 H new ATOM 0 HH TYR A 97 11.827 6.461 10.652 1.00 0.00 H new ATOM 1803 N PRO A 98 6.664 8.549 6.790 1.00 0.00 N ATOM 1804 CA PRO A 98 7.180 8.969 5.475 1.00 0.00 C ATOM 1805 C PRO A 98 8.459 8.191 5.177 1.00 0.00 C ATOM 1806 O PRO A 98 8.743 7.179 5.794 1.00 0.00 O ATOM 1807 CB PRO A 98 7.524 10.436 5.690 1.00 0.00 C ATOM 1808 CG PRO A 98 7.840 10.550 7.150 1.00 0.00 C ATOM 1809 CD PRO A 98 7.205 9.379 7.869 1.00 0.00 C ATOM 0 HA PRO A 98 6.482 8.803 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.374 10.736 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.690 11.081 5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.919 10.551 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.460 11.491 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.936 8.832 8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.421 9.708 8.551 1.00 0.00 H new ATOM 1817 N ILE A 99 9.245 8.659 4.256 1.00 0.00 N ATOM 1818 CA ILE A 99 10.509 7.961 3.951 1.00 0.00 C ATOM 1819 C ILE A 99 11.692 8.907 4.213 1.00 0.00 C ATOM 1820 O ILE A 99 12.074 9.703 3.375 1.00 0.00 O ATOM 1821 CB ILE A 99 10.383 7.523 2.489 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.090 8.724 1.559 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.250 6.486 2.375 1.00 0.00 C ATOM 1824 CD1 ILE A 99 8.583 9.013 1.495 1.00 0.00 C ATOM 0 H ILE A 99 9.064 9.496 3.702 1.00 0.00 H new ATOM 0 HA ILE A 99 10.693 7.089 4.579 1.00 0.00 H new ATOM 0 HB ILE A 99 11.331 7.086 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.618 9.606 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.467 8.514 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.152 6.167 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.482 5.623 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.313 6.933 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.403 9.862 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.061 8.137 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.214 9.246 2.494 1.00 0.00 H new ATOM 1836 N ASN A 100 12.252 8.836 5.394 1.00 0.00 N ATOM 1837 CA ASN A 100 13.397 9.738 5.760 1.00 0.00 C ATOM 1838 C ASN A 100 14.719 9.241 5.160 1.00 0.00 C ATOM 1839 O ASN A 100 14.984 8.056 5.116 1.00 0.00 O ATOM 1840 CB ASN A 100 13.477 9.687 7.289 1.00 0.00 C ATOM 1841 CG ASN A 100 12.279 10.400 7.914 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.145 10.143 7.565 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.486 11.278 8.845 1.00 0.00 N ATOM 0 H ASN A 100 11.966 8.189 6.129 1.00 0.00 H new ATOM 0 HA ASN A 100 13.237 10.746 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.504 8.650 7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.402 10.155 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.697 11.752 9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.438 11.495 9.139 1.00 0.00 H new ATOM 1850 N GLU A 101 15.559 10.146 4.722 1.00 0.00 N ATOM 1851 CA GLU A 101 16.880 9.742 4.145 1.00 0.00 C ATOM 1852 C GLU A 101 17.897 9.495 5.270 1.00 0.00 C ATOM 1853 O GLU A 101 17.966 10.241 6.234 1.00 0.00 O ATOM 1854 CB GLU A 101 17.322 10.926 3.276 1.00 0.00 C ATOM 1855 CG GLU A 101 18.118 10.420 2.061 1.00 0.00 C ATOM 1856 CD GLU A 101 19.308 9.569 2.518 1.00 0.00 C ATOM 1857 OE1 GLU A 101 20.251 10.134 3.052 1.00 0.00 O ATOM 1858 OE2 GLU A 101 19.252 8.365 2.332 1.00 0.00 O ATOM 0 H GLU A 101 15.386 11.151 4.739 1.00 0.00 H new ATOM 0 HA GLU A 101 16.809 8.820 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.450 11.487 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.935 11.610 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.469 9.831 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.473 11.266 1.473 1.00 0.00 H new ATOM 1865 N GLU A 102 18.685 8.455 5.144 1.00 0.00 N ATOM 1866 CA GLU A 102 19.719 8.120 6.182 1.00 0.00 C ATOM 1867 C GLU A 102 20.522 9.365 6.611 1.00 0.00 C ATOM 1868 O GLU A 102 20.934 9.476 7.750 1.00 0.00 O ATOM 1869 CB GLU A 102 20.631 7.095 5.497 1.00 0.00 C ATOM 1870 CG GLU A 102 20.433 5.708 6.131 1.00 0.00 C ATOM 1871 CD GLU A 102 19.153 5.031 5.607 1.00 0.00 C ATOM 1872 OE1 GLU A 102 18.301 5.717 5.057 1.00 0.00 O ATOM 1873 OE2 GLU A 102 19.028 3.832 5.789 1.00 0.00 O ATOM 0 H GLU A 102 18.657 7.811 4.353 1.00 0.00 H new ATOM 0 HA GLU A 102 19.265 7.736 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.407 7.052 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.673 7.402 5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.296 5.079 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.377 5.806 7.215 1.00 0.00 H new ATOM 1880 N ASN A 103 20.744 10.302 5.716 1.00 0.00 N ATOM 1881 CA ASN A 103 21.513 11.537 6.090 1.00 0.00 C ATOM 1882 C ASN A 103 20.739 12.377 7.126 1.00 0.00 C ATOM 1883 O ASN A 103 21.294 13.264 7.749 1.00 0.00 O ATOM 1884 CB ASN A 103 21.671 12.322 4.784 1.00 0.00 C ATOM 1885 CG ASN A 103 22.983 11.935 4.104 1.00 0.00 C ATOM 1886 OD1 ASN A 103 24.002 12.556 4.323 1.00 0.00 O ATOM 1887 ND2 ASN A 103 23.002 10.930 3.281 1.00 0.00 N ATOM 0 H ASN A 103 20.428 10.266 4.747 1.00 0.00 H new ATOM 0 HA ASN A 103 22.473 11.289 6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 103 20.832 12.115 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 103 21.659 13.393 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 103 23.872 10.664 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 103 22.146 10.407 3.095 1.00 0.00 H new ATOM 1894 N SER A 104 19.466 12.110 7.314 1.00 0.00 N ATOM 1895 CA SER A 104 18.669 12.895 8.308 1.00 0.00 C ATOM 1896 C SER A 104 18.034 11.966 9.352 1.00 0.00 C ATOM 1897 O SER A 104 18.106 12.220 10.540 1.00 0.00 O ATOM 1898 CB SER A 104 17.589 13.612 7.482 1.00 0.00 C ATOM 1899 OG SER A 104 16.289 13.200 7.911 1.00 0.00 O ATOM 0 H SER A 104 18.947 11.383 6.822 1.00 0.00 H new ATOM 0 HA SER A 104 19.289 13.600 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.692 14.691 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 104 17.720 13.386 6.424 1.00 0.00 H new ATOM 0 HG SER A 104 15.607 13.663 7.380 1.00 0.00 H new ATOM 1905 N SER A 105 17.394 10.905 8.921 1.00 0.00 N ATOM 1906 CA SER A 105 16.735 9.977 9.894 1.00 0.00 C ATOM 1907 C SER A 105 16.307 8.669 9.209 1.00 0.00 C ATOM 1908 O SER A 105 16.152 8.667 7.996 1.00 0.00 O ATOM 1909 CB SER A 105 15.507 10.745 10.417 1.00 0.00 C ATOM 1910 OG SER A 105 14.896 11.493 9.358 1.00 0.00 O ATOM 1911 OXT SER A 105 16.144 7.684 9.914 1.00 0.00 O ATOM 0 H SER A 105 17.300 10.642 7.940 1.00 0.00 H new ATOM 0 HA SER A 105 17.412 9.692 10.699 1.00 0.00 H new ATOM 0 HB2 SER A 105 14.786 10.045 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.806 11.418 11.220 1.00 0.00 H new ATOM 0 HG SER A 105 15.446 12.278 9.153 1.00 0.00 H new TER 1917 SER A 105