USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 ASN : amide:sc= -5.05! C(o=-12!,f=-21!) USER MOD Set 1.2: A 109 MET CE :methyl 128:sc= -6.98! (180deg=-10.9!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -3.7 X(o=-3.7,f=-4.2!) USER MOD Set 2.2: A 58 SER OG : rot 140:sc=-0.00392 USER MOD Set 2.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 53 GLN : amide:sc= 0 X(o=-2.1,f=-2.2) USER MOD Set 3.2: A 127 MET CE :methyl -151:sc= -2.14 (180deg=-4.4!) USER MOD Set 4.1: A 35 GLN : amide:sc= -2.12 K(o=-2.6,f=-6.7!) USER MOD Set 4.2: A 38 SER OG : rot 175:sc= -0.468 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.093 F(o=-0.54,f=0.093) USER MOD Single : A 42 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.8!) USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 70 ASN : amide:sc=-0.00299 X(o=-0.003,f=-0.15) USER MOD Single : A 71 ASN : amide:sc= -0.0578 K(o=-0.058,f=-0.65) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 79:sc= 0.00294 USER MOD Single : A 75 HIS : no HD1:sc= -0.462 X(o=-0.46,f=0.015) USER MOD Single : A 76 THR OG1 : rot 74:sc= -2.36! USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 79 THR OG1 : rot -91:sc= -0.273 USER MOD Single : A 82 MET CE :methyl -174:sc= -0.336 (180deg=-0.406) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -1.23 F(o=-3.2,f=-1.2) USER MOD Single : A 103 HIS : no HD1:sc= -2.03 X(o=-2,f=-2.2!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -147:sc= -2.17 (180deg=-3.47!) USER MOD Single : A 124 GLN :FLIP amide:sc= 1.1 F(o=-0.25,f=1.1) USER MOD Single : A 125 HIS : no HD1:sc=-0.00384 X(o=-0.0038,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.542 11.228 -6.401 1.00 0.00 N ATOM 44 CA THR A 32 -15.685 10.585 -5.764 1.00 0.00 C ATOM 45 C THR A 32 -15.240 9.777 -4.549 1.00 0.00 C ATOM 46 O THR A 32 -14.297 8.990 -4.625 1.00 0.00 O ATOM 47 CB THR A 32 -16.420 9.685 -6.763 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.628 9.195 -6.208 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.605 8.494 -7.214 1.00 0.00 C ATOM 0 HA THR A 32 -16.371 11.363 -5.428 1.00 0.00 H new ATOM 0 HB THR A 32 -16.613 10.319 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.081 8.624 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.187 7.901 -7.920 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.692 8.840 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.348 7.881 -6.350 1.00 0.00 H new ATOM 57 N SER A 33 -15.922 9.986 -3.427 1.00 0.00 N ATOM 58 CA SER A 33 -15.599 9.289 -2.185 1.00 0.00 C ATOM 59 C SER A 33 -15.426 7.790 -2.415 1.00 0.00 C ATOM 60 O SER A 33 -14.677 7.126 -1.698 1.00 0.00 O ATOM 61 CB SER A 33 -16.693 9.532 -1.145 1.00 0.00 C ATOM 62 OG SER A 33 -17.968 9.170 -1.649 1.00 0.00 O ATOM 0 H SER A 33 -16.705 10.635 -3.352 1.00 0.00 H new ATOM 0 HA SER A 33 -14.653 9.686 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.478 8.956 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.698 10.583 -0.857 1.00 0.00 H new ATOM 0 HG SER A 33 -18.649 9.334 -0.964 1.00 0.00 H new ATOM 68 N SER A 34 -16.121 7.264 -3.417 1.00 0.00 N ATOM 69 CA SER A 34 -16.040 5.844 -3.736 1.00 0.00 C ATOM 70 C SER A 34 -14.670 5.491 -4.306 1.00 0.00 C ATOM 71 O SER A 34 -14.122 4.431 -4.010 1.00 0.00 O ATOM 72 CB SER A 34 -17.132 5.462 -4.736 1.00 0.00 C ATOM 73 OG SER A 34 -18.421 5.748 -4.220 1.00 0.00 O ATOM 0 H SER A 34 -16.745 7.798 -4.021 1.00 0.00 H new ATOM 0 HA SER A 34 -16.187 5.282 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.982 6.006 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.059 4.400 -4.971 1.00 0.00 H new ATOM 0 HG SER A 34 -19.101 5.496 -4.880 1.00 0.00 H new ATOM 79 N GLN A 35 -14.125 6.384 -5.125 1.00 0.00 N ATOM 80 CA GLN A 35 -12.820 6.163 -5.739 1.00 0.00 C ATOM 81 C GLN A 35 -11.705 6.262 -4.706 1.00 0.00 C ATOM 82 O GLN A 35 -10.791 5.437 -4.686 1.00 0.00 O ATOM 83 CB GLN A 35 -12.588 7.172 -6.863 1.00 0.00 C ATOM 84 CG GLN A 35 -11.200 7.104 -7.483 1.00 0.00 C ATOM 85 CD GLN A 35 -10.796 5.692 -7.861 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.645 4.838 -8.117 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.493 5.440 -7.898 1.00 0.00 N ATOM 0 H GLN A 35 -14.566 7.268 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.808 5.156 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.331 7.008 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.751 8.177 -6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.172 7.735 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.472 7.510 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.824 6.178 -7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.161 4.508 -8.146 1.00 0.00 H new ATOM 96 N LEU A 36 -11.785 7.269 -3.845 1.00 0.00 N ATOM 97 CA LEU A 36 -10.780 7.460 -2.808 1.00 0.00 C ATOM 98 C LEU A 36 -10.599 6.180 -2.003 1.00 0.00 C ATOM 99 O LEU A 36 -9.475 5.743 -1.748 1.00 0.00 O ATOM 100 CB LEU A 36 -11.185 8.607 -1.882 1.00 0.00 C ATOM 101 CG LEU A 36 -11.062 10.004 -2.490 1.00 0.00 C ATOM 102 CD1 LEU A 36 -11.718 11.037 -1.590 1.00 0.00 C ATOM 103 CD2 LEU A 36 -9.601 10.353 -2.725 1.00 0.00 C ATOM 0 H LEU A 36 -12.532 7.963 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.833 7.711 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.218 8.453 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.569 8.563 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.578 10.009 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.620 12.025 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.774 10.796 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.231 11.032 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.530 11.351 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.064 10.330 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.159 9.628 -3.409 1.00 0.00 H new ATOM 115 N LEU A 37 -11.717 5.579 -1.612 1.00 0.00 N ATOM 116 CA LEU A 37 -11.687 4.347 -0.842 1.00 0.00 C ATOM 117 C LEU A 37 -11.476 3.130 -1.747 1.00 0.00 C ATOM 118 O LEU A 37 -11.138 2.048 -1.269 1.00 0.00 O ATOM 119 CB LEU A 37 -12.975 4.194 -0.028 1.00 0.00 C ATOM 120 CG LEU A 37 -14.194 3.715 -0.816 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.218 2.196 -0.890 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.475 4.245 -0.187 1.00 0.00 C ATOM 0 H LEU A 37 -12.654 5.927 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.843 4.402 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.790 3.492 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.213 5.155 0.428 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.125 4.104 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.093 1.873 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.315 1.842 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.264 1.783 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.334 3.895 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.552 3.885 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.457 5.335 -0.189 1.00 0.00 H new ATOM 134 N SER A 38 -11.673 3.305 -3.054 1.00 0.00 N ATOM 135 CA SER A 38 -11.494 2.204 -3.996 1.00 0.00 C ATOM 136 C SER A 38 -10.014 1.894 -4.197 1.00 0.00 C ATOM 137 O SER A 38 -9.647 0.768 -4.537 1.00 0.00 O ATOM 138 CB SER A 38 -12.140 2.533 -5.344 1.00 0.00 C ATOM 139 OG SER A 38 -11.321 3.402 -6.107 1.00 0.00 O ATOM 0 H SER A 38 -11.953 4.189 -3.479 1.00 0.00 H new ATOM 0 HA SER A 38 -11.982 1.325 -3.575 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.315 1.612 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.113 2.996 -5.180 1.00 0.00 H new ATOM 0 HG SER A 38 -11.719 3.533 -6.993 1.00 0.00 H new ATOM 145 N VAL A 39 -9.163 2.894 -3.982 1.00 0.00 N ATOM 146 CA VAL A 39 -7.729 2.712 -4.142 1.00 0.00 C ATOM 147 C VAL A 39 -7.098 2.243 -2.841 1.00 0.00 C ATOM 148 O VAL A 39 -6.188 1.415 -2.845 1.00 0.00 O ATOM 149 CB VAL A 39 -7.039 4.008 -4.607 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.559 3.762 -4.870 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.725 4.561 -5.848 1.00 0.00 C ATOM 0 H VAL A 39 -9.443 3.833 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.587 1.951 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.123 4.749 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.089 4.689 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.079 3.416 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.448 3.005 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.225 5.477 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.674 3.825 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.769 4.778 -5.621 1.00 0.00 H new ATOM 161 N ARG A 40 -7.593 2.766 -1.726 1.00 0.00 N ATOM 162 CA ARG A 40 -7.075 2.378 -0.424 1.00 0.00 C ATOM 163 C ARG A 40 -7.457 0.936 -0.120 1.00 0.00 C ATOM 164 O ARG A 40 -6.721 0.214 0.551 1.00 0.00 O ATOM 165 CB ARG A 40 -7.598 3.314 0.667 1.00 0.00 C ATOM 166 CG ARG A 40 -9.095 3.201 0.910 1.00 0.00 C ATOM 167 CD ARG A 40 -9.430 2.172 1.980 1.00 0.00 C ATOM 168 NE ARG A 40 -8.699 2.408 3.223 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.863 1.682 4.327 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.727 0.674 4.346 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.162 1.965 5.417 1.00 0.00 N ATOM 0 H ARG A 40 -8.346 3.454 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.988 2.456 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.072 3.101 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.361 4.342 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.487 4.173 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.593 2.929 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.501 2.195 2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.197 1.174 1.608 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.024 3.173 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.270 0.452 3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.848 0.122 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.497 2.739 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.288 1.409 6.263 1.00 0.00 H new ATOM 185 N HIS A 41 -8.609 0.520 -0.637 1.00 0.00 N ATOM 186 CA HIS A 41 -9.087 -0.840 -0.441 1.00 0.00 C ATOM 187 C HIS A 41 -8.241 -1.815 -1.251 1.00 0.00 C ATOM 188 O HIS A 41 -7.914 -2.907 -0.787 1.00 0.00 O ATOM 189 CB HIS A 41 -10.557 -0.952 -0.852 1.00 0.00 C ATOM 190 CG HIS A 41 -11.514 -0.834 0.294 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.024 0.256 0.918 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.063 -1.927 0.930 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -12.861 -0.196 1.908 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.868 -1.516 1.894 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.228 1.108 -1.195 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.000 -1.091 0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.781 -0.174 -1.582 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.714 -1.910 -1.348 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.823 1.231 0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.866 -2.959 0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.423 0.427 2.588 1.00 0.00 H new ATOM 203 N GLN A 42 -7.884 -1.405 -2.467 1.00 0.00 N ATOM 204 CA GLN A 42 -7.069 -2.235 -3.345 1.00 0.00 C ATOM 205 C GLN A 42 -5.591 -2.148 -2.962 1.00 0.00 C ATOM 206 O GLN A 42 -4.823 -3.080 -3.196 1.00 0.00 O ATOM 207 CB GLN A 42 -7.269 -1.815 -4.809 1.00 0.00 C ATOM 208 CG GLN A 42 -6.364 -0.678 -5.264 1.00 0.00 C ATOM 209 CD GLN A 42 -5.168 -1.167 -6.058 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.881 -2.363 -6.095 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.463 -0.241 -6.697 1.00 0.00 N ATOM 0 H GLN A 42 -8.147 -0.503 -2.864 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.388 -3.271 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.096 -2.680 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.308 -1.516 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.940 0.018 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.015 -0.125 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.738 0.740 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.647 -0.510 -7.246 1.00 0.00 H new ATOM 220 N LEU A 43 -5.202 -1.019 -2.374 1.00 0.00 N ATOM 221 CA LEU A 43 -3.818 -0.807 -1.962 1.00 0.00 C ATOM 222 C LEU A 43 -3.549 -1.442 -0.601 1.00 0.00 C ATOM 223 O LEU A 43 -2.664 -2.287 -0.464 1.00 0.00 O ATOM 224 CB LEU A 43 -3.505 0.694 -1.912 1.00 0.00 C ATOM 225 CG LEU A 43 -2.017 1.066 -1.901 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.469 1.029 -0.485 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.212 0.144 -2.808 1.00 0.00 C ATOM 0 H LEU A 43 -5.826 -0.238 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.169 -1.284 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.973 1.172 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.972 1.114 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.923 2.082 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.412 1.296 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.016 1.739 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.585 0.025 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.161 0.432 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.315 -0.885 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.583 0.224 -3.830 1.00 0.00 H new ATOM 239 N ALA A 44 -4.318 -1.030 0.403 1.00 0.00 N ATOM 240 CA ALA A 44 -4.164 -1.558 1.755 1.00 0.00 C ATOM 241 C ALA A 44 -4.193 -3.084 1.762 1.00 0.00 C ATOM 242 O ALA A 44 -3.336 -3.728 2.368 1.00 0.00 O ATOM 243 CB ALA A 44 -5.253 -1.006 2.662 1.00 0.00 C ATOM 0 H ALA A 44 -5.055 -0.331 0.306 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.192 -1.240 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.127 -1.407 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.183 0.081 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.230 -1.296 2.275 1.00 0.00 H new ATOM 249 N GLU A 45 -5.183 -3.655 1.084 1.00 0.00 N ATOM 250 CA GLU A 45 -5.324 -5.105 1.012 1.00 0.00 C ATOM 251 C GLU A 45 -4.074 -5.747 0.418 1.00 0.00 C ATOM 252 O GLU A 45 -3.526 -6.697 0.978 1.00 0.00 O ATOM 253 CB GLU A 45 -6.547 -5.477 0.174 1.00 0.00 C ATOM 254 CG GLU A 45 -7.851 -5.448 0.954 1.00 0.00 C ATOM 255 CD GLU A 45 -8.810 -6.542 0.528 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.221 -6.545 -0.651 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.150 -7.396 1.374 1.00 0.00 O ATOM 0 H GLU A 45 -5.900 -3.136 0.577 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.456 -5.482 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.622 -4.790 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.403 -6.475 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.636 -5.552 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.329 -4.478 0.819 1.00 0.00 H new ATOM 264 N SER A 46 -3.629 -5.224 -0.719 1.00 0.00 N ATOM 265 CA SER A 46 -2.444 -5.747 -1.390 1.00 0.00 C ATOM 266 C SER A 46 -1.188 -5.488 -0.564 1.00 0.00 C ATOM 267 O SER A 46 -0.218 -6.242 -0.640 1.00 0.00 O ATOM 268 CB SER A 46 -2.296 -5.114 -2.775 1.00 0.00 C ATOM 269 OG SER A 46 -1.809 -6.054 -3.716 1.00 0.00 O ATOM 0 H SER A 46 -4.071 -4.438 -1.196 1.00 0.00 H new ATOM 0 HA SER A 46 -2.567 -6.824 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.260 -4.729 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.615 -4.265 -2.719 1.00 0.00 H new ATOM 0 HG SER A 46 -1.875 -5.678 -4.618 1.00 0.00 H new ATOM 275 N ALA A 47 -1.211 -4.418 0.224 1.00 0.00 N ATOM 276 CA ALA A 47 -0.073 -4.061 1.063 1.00 0.00 C ATOM 277 C ALA A 47 0.129 -5.081 2.180 1.00 0.00 C ATOM 278 O ALA A 47 -0.141 -4.800 3.348 1.00 0.00 O ATOM 279 CB ALA A 47 -0.262 -2.668 1.644 1.00 0.00 C ATOM 0 H ALA A 47 -2.006 -3.783 0.299 1.00 0.00 H new ATOM 0 HA ALA A 47 0.821 -4.064 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.595 -2.415 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.347 -1.944 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.170 -2.645 2.247 1.00 0.00 H new ATOM 285 N GLY A 48 0.607 -6.266 1.814 1.00 0.00 N ATOM 286 CA GLY A 48 0.837 -7.308 2.797 1.00 0.00 C ATOM 287 C GLY A 48 0.980 -8.681 2.168 1.00 0.00 C ATOM 288 O GLY A 48 0.102 -9.126 1.428 1.00 0.00 O ATOM 0 H GLY A 48 0.839 -6.523 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.739 -7.076 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.010 -7.322 3.507 1.00 0.00 H new ATOM 292 N LEU A 49 2.087 -9.355 2.464 1.00 0.00 N ATOM 293 CA LEU A 49 2.339 -10.686 1.924 1.00 0.00 C ATOM 294 C LEU A 49 1.404 -11.713 2.560 1.00 0.00 C ATOM 295 O LEU A 49 0.982 -11.550 3.705 1.00 0.00 O ATOM 296 CB LEU A 49 3.797 -11.087 2.158 1.00 0.00 C ATOM 297 CG LEU A 49 4.826 -10.008 1.815 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.230 -10.484 2.151 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.728 -9.627 0.345 1.00 0.00 C ATOM 0 H LEU A 49 2.823 -9.001 3.075 1.00 0.00 H new ATOM 0 HA LEU A 49 2.147 -10.661 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.919 -11.364 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.013 -11.976 1.566 1.00 0.00 H new ATOM 0 HG LEU A 49 4.611 -9.124 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.948 -9.704 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.293 -10.707 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.456 -11.383 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.467 -8.858 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.917 -10.505 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.730 -9.244 0.134 1.00 0.00 H new ATOM 311 N PRO A 50 1.059 -12.784 1.823 1.00 0.00 N ATOM 312 CA PRO A 50 0.162 -13.829 2.326 1.00 0.00 C ATOM 313 C PRO A 50 0.732 -14.552 3.548 1.00 0.00 C ATOM 314 O PRO A 50 0.327 -14.280 4.678 1.00 0.00 O ATOM 315 CB PRO A 50 0.002 -14.790 1.137 1.00 0.00 C ATOM 316 CG PRO A 50 0.469 -14.024 -0.055 1.00 0.00 C ATOM 317 CD PRO A 50 1.504 -13.059 0.448 1.00 0.00 C ATOM 0 HA PRO A 50 -0.786 -13.414 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.594 -15.694 1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.036 -15.103 1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.891 -14.692 -0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.359 -13.496 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.504 -13.492 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.537 -12.151 -0.155 1.00 0.00 H new ATOM 325 N ARG A 51 1.667 -15.474 3.324 1.00 0.00 N ATOM 326 CA ARG A 51 2.271 -16.221 4.422 1.00 0.00 C ATOM 327 C ARG A 51 3.719 -16.596 4.114 1.00 0.00 C ATOM 328 O ARG A 51 4.649 -16.087 4.739 1.00 0.00 O ATOM 329 CB ARG A 51 1.457 -17.484 4.713 1.00 0.00 C ATOM 330 CG ARG A 51 1.427 -17.861 6.186 1.00 0.00 C ATOM 331 CD ARG A 51 2.232 -19.121 6.458 1.00 0.00 C ATOM 332 NE ARG A 51 1.756 -20.255 5.669 1.00 0.00 N ATOM 333 CZ ARG A 51 2.363 -21.439 5.630 1.00 0.00 C ATOM 334 NH1 ARG A 51 3.470 -21.648 6.332 1.00 0.00 N ATOM 335 NH2 ARG A 51 1.862 -22.416 4.887 1.00 0.00 N ATOM 0 H ARG A 51 2.020 -15.719 2.399 1.00 0.00 H new ATOM 0 HA ARG A 51 2.268 -15.578 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.435 -17.337 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.873 -18.314 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.825 -17.039 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.395 -18.013 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.282 -18.937 6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.174 -19.367 7.518 1.00 0.00 H new ATOM 0 HE ARG A 51 0.908 -20.132 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.860 -20.899 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.931 -22.557 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.012 -22.260 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.327 -23.323 4.857 1.00 0.00 H new ATOM 349 N ASP A 52 3.900 -17.498 3.153 1.00 0.00 N ATOM 350 CA ASP A 52 5.232 -17.955 2.765 1.00 0.00 C ATOM 351 C ASP A 52 6.131 -16.784 2.384 1.00 0.00 C ATOM 352 O ASP A 52 7.301 -16.739 2.763 1.00 0.00 O ATOM 353 CB ASP A 52 5.135 -18.937 1.596 1.00 0.00 C ATOM 354 CG ASP A 52 5.020 -20.377 2.059 1.00 0.00 C ATOM 355 OD1 ASP A 52 6.062 -20.975 2.401 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.889 -20.906 2.078 1.00 0.00 O ATOM 0 H ASP A 52 3.139 -17.928 2.627 1.00 0.00 H new ATOM 0 HA ASP A 52 5.675 -18.459 3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.269 -18.685 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.015 -18.831 0.962 1.00 0.00 H new ATOM 361 N GLN A 53 5.579 -15.840 1.630 1.00 0.00 N ATOM 362 CA GLN A 53 6.335 -14.671 1.196 1.00 0.00 C ATOM 363 C GLN A 53 6.916 -13.922 2.391 1.00 0.00 C ATOM 364 O GLN A 53 8.090 -13.552 2.394 1.00 0.00 O ATOM 365 CB GLN A 53 5.442 -13.737 0.376 1.00 0.00 C ATOM 366 CG GLN A 53 5.601 -13.908 -1.127 1.00 0.00 C ATOM 367 CD GLN A 53 4.332 -14.397 -1.798 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.555 -13.606 -2.332 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.114 -15.707 -1.771 1.00 0.00 N ATOM 0 H GLN A 53 4.612 -15.861 1.307 1.00 0.00 H new ATOM 0 HA GLN A 53 7.160 -15.014 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.401 -13.914 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.669 -12.705 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.896 -12.956 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.407 -14.614 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.785 -16.326 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.275 -16.093 -2.204 1.00 0.00 H new ATOM 378 N HIS A 54 6.085 -13.701 3.405 1.00 0.00 N ATOM 379 CA HIS A 54 6.514 -12.994 4.606 1.00 0.00 C ATOM 380 C HIS A 54 7.543 -13.808 5.384 1.00 0.00 C ATOM 381 O HIS A 54 8.563 -13.278 5.827 1.00 0.00 O ATOM 382 CB HIS A 54 5.310 -12.686 5.499 1.00 0.00 C ATOM 383 CG HIS A 54 5.669 -11.958 6.758 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.460 -12.507 7.745 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.345 -10.715 7.187 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.608 -11.635 8.726 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.941 -10.539 8.412 1.00 0.00 N ATOM 0 H HIS A 54 5.110 -14.002 3.418 1.00 0.00 H new ATOM 0 HA HIS A 54 6.979 -12.058 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.593 -12.089 4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.812 -13.620 5.759 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.732 -9.996 6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.177 -11.791 9.630 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.879 -9.698 8.986 1.00 0.00 H new ATOM 396 N GLU A 55 7.269 -15.099 5.550 1.00 0.00 N ATOM 397 CA GLU A 55 8.170 -15.988 6.278 1.00 0.00 C ATOM 398 C GLU A 55 9.591 -15.915 5.721 1.00 0.00 C ATOM 399 O GLU A 55 10.556 -16.221 6.419 1.00 0.00 O ATOM 400 CB GLU A 55 7.656 -17.428 6.216 1.00 0.00 C ATOM 401 CG GLU A 55 6.953 -17.878 7.486 1.00 0.00 C ATOM 402 CD GLU A 55 7.881 -18.598 8.443 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.648 -17.914 9.153 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.842 -19.846 8.483 1.00 0.00 O ATOM 0 H GLU A 55 6.430 -15.553 5.190 1.00 0.00 H new ATOM 0 HA GLU A 55 8.196 -15.661 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.968 -17.523 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.494 -18.096 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.524 -17.010 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.125 -18.537 7.224 1.00 0.00 H new ATOM 411 N PHE A 56 9.712 -15.512 4.460 1.00 0.00 N ATOM 412 CA PHE A 56 11.015 -15.405 3.816 1.00 0.00 C ATOM 413 C PHE A 56 11.605 -14.008 4.005 1.00 0.00 C ATOM 414 O PHE A 56 12.729 -13.858 4.479 1.00 0.00 O ATOM 415 CB PHE A 56 10.891 -15.741 2.323 1.00 0.00 C ATOM 416 CG PHE A 56 11.933 -15.094 1.449 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.284 -15.295 1.687 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.558 -14.284 0.389 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.240 -14.701 0.884 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.509 -13.688 -0.417 1.00 0.00 C ATOM 421 CZ PHE A 56 13.851 -13.896 -0.169 1.00 0.00 C ATOM 0 H PHE A 56 8.924 -15.255 3.865 1.00 0.00 H new ATOM 0 HA PHE A 56 11.692 -16.120 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.953 -16.822 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.904 -15.437 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.593 -15.923 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.510 -14.117 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.289 -14.866 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.203 -13.060 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.596 -13.430 -0.797 1.00 0.00 H new ATOM 431 N VAL A 57 10.843 -12.991 3.619 1.00 0.00 N ATOM 432 CA VAL A 57 11.293 -11.607 3.729 1.00 0.00 C ATOM 433 C VAL A 57 11.405 -11.145 5.184 1.00 0.00 C ATOM 434 O VAL A 57 11.924 -10.062 5.452 1.00 0.00 O ATOM 435 CB VAL A 57 10.346 -10.654 2.972 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.942 -10.713 3.556 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.881 -9.228 2.994 1.00 0.00 C ATOM 0 H VAL A 57 9.908 -13.099 3.226 1.00 0.00 H new ATOM 0 HA VAL A 57 12.286 -11.574 3.280 1.00 0.00 H new ATOM 0 HB VAL A 57 10.296 -10.980 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.291 -10.033 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.557 -11.729 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.972 -10.419 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.196 -8.574 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.969 -8.888 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.861 -9.200 2.518 1.00 0.00 H new ATOM 447 N SER A 58 10.907 -11.949 6.121 1.00 0.00 N ATOM 448 CA SER A 58 10.955 -11.576 7.533 1.00 0.00 C ATOM 449 C SER A 58 11.722 -12.592 8.378 1.00 0.00 C ATOM 450 O SER A 58 12.334 -12.231 9.384 1.00 0.00 O ATOM 451 CB SER A 58 9.536 -11.419 8.081 1.00 0.00 C ATOM 452 OG SER A 58 9.543 -11.313 9.494 1.00 0.00 O ATOM 0 H SER A 58 10.471 -12.852 5.932 1.00 0.00 H new ATOM 0 HA SER A 58 11.488 -10.627 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.072 -10.532 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.930 -12.274 7.780 1.00 0.00 H new ATOM 0 HG SER A 58 8.888 -10.640 9.775 1.00 0.00 H new ATOM 458 N SER A 59 11.675 -13.862 7.987 1.00 0.00 N ATOM 459 CA SER A 59 12.356 -14.911 8.743 1.00 0.00 C ATOM 460 C SER A 59 13.606 -15.429 8.028 1.00 0.00 C ATOM 461 O SER A 59 14.382 -16.188 8.608 1.00 0.00 O ATOM 462 CB SER A 59 11.398 -16.073 9.009 1.00 0.00 C ATOM 463 OG SER A 59 11.567 -16.584 10.320 1.00 0.00 O ATOM 0 H SER A 59 11.178 -14.189 7.159 1.00 0.00 H new ATOM 0 HA SER A 59 12.677 -14.468 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.369 -15.738 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.572 -16.866 8.281 1.00 0.00 H new ATOM 0 HG SER A 59 10.942 -17.325 10.465 1.00 0.00 H new ATOM 469 N GLN A 60 13.799 -15.033 6.774 1.00 0.00 N ATOM 470 CA GLN A 60 14.959 -15.488 6.011 1.00 0.00 C ATOM 471 C GLN A 60 15.802 -14.317 5.513 1.00 0.00 C ATOM 472 O GLN A 60 16.944 -14.140 5.935 1.00 0.00 O ATOM 473 CB GLN A 60 14.508 -16.344 4.828 1.00 0.00 C ATOM 474 CG GLN A 60 14.233 -17.793 5.196 1.00 0.00 C ATOM 475 CD GLN A 60 13.836 -18.633 3.998 1.00 0.00 C ATOM 476 OE1 GLN A 60 13.731 -18.131 2.880 1.00 0.00 O ATOM 477 NE2 GLN A 60 13.611 -19.922 4.228 1.00 0.00 N ATOM 0 H GLN A 60 13.175 -14.405 6.268 1.00 0.00 H new ATOM 0 HA GLN A 60 15.579 -16.087 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.605 -15.909 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.275 -16.314 4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.123 -18.222 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.438 -17.830 5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.710 -20.297 5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.339 -20.537 3.461 1.00 0.00 H new ATOM 486 N ALA A 61 15.233 -13.528 4.603 1.00 0.00 N ATOM 487 CA ALA A 61 15.926 -12.377 4.029 1.00 0.00 C ATOM 488 C ALA A 61 16.709 -11.596 5.086 1.00 0.00 C ATOM 489 O ALA A 61 16.330 -11.566 6.257 1.00 0.00 O ATOM 490 CB ALA A 61 14.931 -11.465 3.327 1.00 0.00 C ATOM 0 H ALA A 61 14.288 -13.667 4.246 1.00 0.00 H new ATOM 0 HA ALA A 61 16.646 -12.753 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.458 -10.610 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.432 -12.016 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.189 -11.114 4.045 1.00 0.00 H new ATOM 496 N PRO A 62 17.820 -10.956 4.680 1.00 0.00 N ATOM 497 CA PRO A 62 18.666 -10.175 5.592 1.00 0.00 C ATOM 498 C PRO A 62 17.980 -8.903 6.079 1.00 0.00 C ATOM 499 O PRO A 62 17.026 -8.425 5.466 1.00 0.00 O ATOM 500 CB PRO A 62 19.888 -9.829 4.737 1.00 0.00 C ATOM 501 CG PRO A 62 19.394 -9.873 3.333 1.00 0.00 C ATOM 502 CD PRO A 62 18.342 -10.947 3.300 1.00 0.00 C ATOM 0 HA PRO A 62 18.906 -10.732 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.280 -8.843 4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.696 -10.543 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.979 -8.910 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.205 -10.099 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.559 -10.721 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.763 -11.914 3.023 1.00 0.00 H new ATOM 510 N GLN A 63 18.476 -8.358 7.189 1.00 0.00 N ATOM 511 CA GLN A 63 17.916 -7.138 7.767 1.00 0.00 C ATOM 512 C GLN A 63 17.720 -6.063 6.702 1.00 0.00 C ATOM 513 O GLN A 63 16.717 -5.348 6.705 1.00 0.00 O ATOM 514 CB GLN A 63 18.828 -6.612 8.877 1.00 0.00 C ATOM 515 CG GLN A 63 18.296 -5.362 9.561 1.00 0.00 C ATOM 516 CD GLN A 63 18.748 -5.249 11.004 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.012 -5.600 11.926 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.965 -4.757 11.206 1.00 0.00 N ATOM 0 H GLN A 63 19.266 -8.743 7.707 1.00 0.00 H new ATOM 0 HA GLN A 63 16.941 -7.383 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.966 -7.394 9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.810 -6.396 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.628 -4.482 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.207 -5.368 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.541 -4.479 10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.324 -4.658 12.156 1.00 0.00 H new ATOM 527 N SER A 64 18.681 -5.955 5.789 1.00 0.00 N ATOM 528 CA SER A 64 18.608 -4.968 4.717 1.00 0.00 C ATOM 529 C SER A 64 17.331 -5.151 3.902 1.00 0.00 C ATOM 530 O SER A 64 16.644 -4.182 3.579 1.00 0.00 O ATOM 531 CB SER A 64 19.831 -5.082 3.806 1.00 0.00 C ATOM 532 OG SER A 64 19.903 -3.987 2.909 1.00 0.00 O ATOM 0 H SER A 64 19.518 -6.538 5.770 1.00 0.00 H new ATOM 0 HA SER A 64 18.593 -3.975 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.737 -5.120 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.784 -6.014 3.243 1.00 0.00 H new ATOM 0 HG SER A 64 20.694 -4.083 2.339 1.00 0.00 H new ATOM 538 N LEU A 65 17.018 -6.401 3.581 1.00 0.00 N ATOM 539 CA LEU A 65 15.821 -6.716 2.812 1.00 0.00 C ATOM 540 C LEU A 65 14.568 -6.382 3.615 1.00 0.00 C ATOM 541 O LEU A 65 13.547 -5.980 3.056 1.00 0.00 O ATOM 542 CB LEU A 65 15.817 -8.197 2.422 1.00 0.00 C ATOM 543 CG LEU A 65 15.161 -8.520 1.077 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.651 -8.370 1.170 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.721 -7.628 -0.021 1.00 0.00 C ATOM 0 H LEU A 65 17.577 -7.213 3.842 1.00 0.00 H new ATOM 0 HA LEU A 65 15.824 -6.112 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.847 -8.552 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.303 -8.759 3.202 1.00 0.00 H new ATOM 0 HG LEU A 65 15.388 -9.556 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.202 -8.604 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.263 -9.053 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.404 -7.345 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.242 -7.873 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.527 -6.584 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.796 -7.787 -0.106 1.00 0.00 H new ATOM 557 N ARG A 66 14.657 -6.544 4.931 1.00 0.00 N ATOM 558 CA ARG A 66 13.535 -6.255 5.815 1.00 0.00 C ATOM 559 C ARG A 66 13.348 -4.750 5.974 1.00 0.00 C ATOM 560 O ARG A 66 12.227 -4.265 6.129 1.00 0.00 O ATOM 561 CB ARG A 66 13.758 -6.899 7.185 1.00 0.00 C ATOM 562 CG ARG A 66 14.178 -8.358 7.112 1.00 0.00 C ATOM 563 CD ARG A 66 14.606 -8.885 8.473 1.00 0.00 C ATOM 564 NE ARG A 66 15.288 -10.173 8.372 1.00 0.00 N ATOM 565 CZ ARG A 66 15.570 -10.947 9.418 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.231 -10.567 10.644 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.192 -12.104 9.238 1.00 0.00 N ATOM 0 H ARG A 66 15.496 -6.874 5.409 1.00 0.00 H new ATOM 0 HA ARG A 66 12.633 -6.673 5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.522 -6.336 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.839 -6.823 7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.350 -8.957 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.000 -8.466 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.267 -8.161 8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.730 -8.988 9.114 1.00 0.00 H new ATOM 0 HE ARG A 66 15.564 -10.498 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.752 -9.678 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.450 -11.164 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.454 -12.401 8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.408 -12.697 10.039 1.00 0.00 H new ATOM 581 N ASN A 67 14.456 -4.016 5.935 1.00 0.00 N ATOM 582 CA ASN A 67 14.421 -2.565 6.075 1.00 0.00 C ATOM 583 C ASN A 67 13.506 -1.937 5.028 1.00 0.00 C ATOM 584 O ASN A 67 12.696 -1.064 5.341 1.00 0.00 O ATOM 585 CB ASN A 67 15.831 -1.985 5.950 1.00 0.00 C ATOM 586 CG ASN A 67 16.513 -1.828 7.295 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.525 -2.650 7.546 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 16.133 -0.977 8.100 1.00 0.00 N flip ATOM 0 H ASN A 67 15.391 -4.404 5.807 1.00 0.00 H new ATOM 0 HA ASN A 67 14.025 -2.331 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.433 -2.634 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.779 -1.015 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.351 -0.366 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.601 -0.883 9.002 1.00 0.00 H new ATOM 595 N ARG A 68 13.638 -2.388 3.784 1.00 0.00 N ATOM 596 CA ARG A 68 12.819 -1.868 2.696 1.00 0.00 C ATOM 597 C ARG A 68 11.380 -2.363 2.814 1.00 0.00 C ATOM 598 O ARG A 68 10.445 -1.697 2.368 1.00 0.00 O ATOM 599 CB ARG A 68 13.409 -2.270 1.340 1.00 0.00 C ATOM 600 CG ARG A 68 13.328 -3.761 1.046 1.00 0.00 C ATOM 601 CD ARG A 68 13.023 -4.022 -0.421 1.00 0.00 C ATOM 602 NE ARG A 68 12.737 -5.431 -0.681 1.00 0.00 N ATOM 603 CZ ARG A 68 12.677 -5.963 -1.900 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.877 -5.206 -2.972 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.415 -7.254 -2.049 1.00 0.00 N ATOM 0 H ARG A 68 14.302 -3.110 3.506 1.00 0.00 H new ATOM 0 HA ARG A 68 12.814 -0.780 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.887 -1.726 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.453 -1.959 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.271 -4.238 1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.555 -4.214 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.169 -3.417 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.871 -3.707 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 68 12.574 -6.043 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.078 -4.212 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.830 -5.619 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.259 -7.841 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.369 -7.661 -2.983 1.00 0.00 H new ATOM 619 N TYR A 69 11.210 -3.534 3.420 1.00 0.00 N ATOM 620 CA TYR A 69 9.887 -4.119 3.601 1.00 0.00 C ATOM 621 C TYR A 69 8.992 -3.203 4.431 1.00 0.00 C ATOM 622 O TYR A 69 7.901 -2.828 4.001 1.00 0.00 O ATOM 623 CB TYR A 69 10.003 -5.488 4.275 1.00 0.00 C ATOM 624 CG TYR A 69 8.671 -6.164 4.513 1.00 0.00 C ATOM 625 CD1 TYR A 69 8.071 -6.929 3.522 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.015 -6.036 5.731 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.854 -7.548 3.737 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.798 -6.653 5.954 1.00 0.00 C ATOM 629 CZ TYR A 69 6.222 -7.407 4.954 1.00 0.00 C ATOM 630 OH TYR A 69 5.011 -8.023 5.173 1.00 0.00 O ATOM 0 H TYR A 69 11.974 -4.097 3.794 1.00 0.00 H new ATOM 0 HA TYR A 69 9.433 -4.241 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.624 -6.136 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.517 -5.371 5.229 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.563 -7.042 2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.463 -5.445 6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.400 -8.139 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.301 -6.545 6.907 1.00 0.00 H new ATOM 0 HH TYR A 69 4.702 -7.824 6.082 1.00 0.00 H new ATOM 640 N ASN A 70 9.459 -2.850 5.624 1.00 0.00 N ATOM 641 CA ASN A 70 8.701 -1.981 6.517 1.00 0.00 C ATOM 642 C ASN A 70 8.730 -0.537 6.029 1.00 0.00 C ATOM 643 O ASN A 70 7.781 0.219 6.238 1.00 0.00 O ATOM 644 CB ASN A 70 9.261 -2.061 7.939 1.00 0.00 C ATOM 645 CG ASN A 70 8.674 -3.216 8.728 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.456 -3.346 8.847 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.542 -4.061 9.273 1.00 0.00 N ATOM 0 H ASN A 70 10.360 -3.153 5.995 1.00 0.00 H new ATOM 0 HA ASN A 70 7.666 -2.323 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.345 -2.169 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.055 -1.126 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.207 -4.857 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.544 -3.914 9.148 1.00 0.00 H new ATOM 654 N ASN A 71 9.826 -0.159 5.378 1.00 0.00 N ATOM 655 CA ASN A 71 9.979 1.196 4.861 1.00 0.00 C ATOM 656 C ASN A 71 8.880 1.525 3.855 1.00 0.00 C ATOM 657 O ASN A 71 8.148 2.501 4.019 1.00 0.00 O ATOM 658 CB ASN A 71 11.353 1.361 4.208 1.00 0.00 C ATOM 659 CG ASN A 71 12.375 1.958 5.155 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.259 1.830 6.373 1.00 0.00 O ATOM 661 ND2 ASN A 71 13.384 2.617 4.597 1.00 0.00 N ATOM 0 H ASN A 71 10.621 -0.772 5.196 1.00 0.00 H new ATOM 0 HA ASN A 71 9.896 1.889 5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.707 0.390 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.260 1.999 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.102 3.042 5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.441 2.698 3.582 1.00 0.00 H new ATOM 668 N LEU A 72 8.771 0.706 2.814 1.00 0.00 N ATOM 669 CA LEU A 72 7.760 0.915 1.782 1.00 0.00 C ATOM 670 C LEU A 72 6.357 0.872 2.377 1.00 0.00 C ATOM 671 O LEU A 72 5.452 1.563 1.908 1.00 0.00 O ATOM 672 CB LEU A 72 7.894 -0.141 0.681 1.00 0.00 C ATOM 673 CG LEU A 72 7.725 -1.589 1.144 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.253 -1.922 1.342 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.359 -2.542 0.141 1.00 0.00 C ATOM 0 H LEU A 72 9.368 -0.107 2.662 1.00 0.00 H new ATOM 0 HA LEU A 72 7.921 1.902 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.153 0.066 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.875 -0.037 0.217 1.00 0.00 H new ATOM 0 HG LEU A 72 8.232 -1.706 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.155 -2.956 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.828 -1.259 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.720 -1.789 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.231 -3.569 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.879 -2.421 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.422 -2.320 0.050 1.00 0.00 H new ATOM 687 N TYR A 73 6.181 0.057 3.413 1.00 0.00 N ATOM 688 CA TYR A 73 4.886 -0.071 4.068 1.00 0.00 C ATOM 689 C TYR A 73 4.618 1.122 4.977 1.00 0.00 C ATOM 690 O TYR A 73 3.476 1.559 5.123 1.00 0.00 O ATOM 691 CB TYR A 73 4.820 -1.369 4.875 1.00 0.00 C ATOM 692 CG TYR A 73 3.413 -1.772 5.261 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.361 -1.645 4.361 1.00 0.00 C ATOM 694 CD2 TYR A 73 3.136 -2.278 6.524 1.00 0.00 C ATOM 695 CE1 TYR A 73 1.075 -2.010 4.709 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.852 -2.646 6.880 1.00 0.00 C ATOM 697 CZ TYR A 73 0.826 -2.510 5.969 1.00 0.00 C ATOM 698 OH TYR A 73 -0.453 -2.875 6.320 1.00 0.00 O ATOM 0 H TYR A 73 6.918 -0.523 3.815 1.00 0.00 H new ATOM 0 HA TYR A 73 4.118 -0.097 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.272 -2.172 4.293 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.417 -1.255 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.553 -1.254 3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.937 -2.386 7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.269 -1.904 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.654 -3.038 7.867 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.457 -3.209 7.241 1.00 0.00 H new ATOM 708 N SER A 74 5.677 1.652 5.582 1.00 0.00 N ATOM 709 CA SER A 74 5.553 2.802 6.471 1.00 0.00 C ATOM 710 C SER A 74 4.847 3.951 5.760 1.00 0.00 C ATOM 711 O SER A 74 4.080 4.698 6.368 1.00 0.00 O ATOM 712 CB SER A 74 6.933 3.253 6.954 1.00 0.00 C ATOM 713 OG SER A 74 7.258 2.657 8.198 1.00 0.00 O ATOM 0 H SER A 74 6.629 1.304 5.473 1.00 0.00 H new ATOM 0 HA SER A 74 4.958 2.506 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.686 2.987 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.951 4.338 7.052 1.00 0.00 H new ATOM 0 HG SER A 74 7.556 1.735 8.051 1.00 0.00 H new ATOM 719 N HIS A 75 5.109 4.076 4.464 1.00 0.00 N ATOM 720 CA HIS A 75 4.498 5.122 3.656 1.00 0.00 C ATOM 721 C HIS A 75 3.112 4.696 3.182 1.00 0.00 C ATOM 722 O HIS A 75 2.255 5.533 2.909 1.00 0.00 O ATOM 723 CB HIS A 75 5.383 5.447 2.451 1.00 0.00 C ATOM 724 CG HIS A 75 6.446 6.460 2.744 1.00 0.00 C ATOM 725 ND1 HIS A 75 7.757 6.122 3.009 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.387 7.811 2.812 1.00 0.00 C ATOM 727 CE1 HIS A 75 8.457 7.220 3.227 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.650 8.258 3.113 1.00 0.00 N ATOM 0 H HIS A 75 5.742 3.464 3.950 1.00 0.00 H new ATOM 0 HA HIS A 75 4.396 6.014 4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.854 4.529 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.756 5.815 1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.510 8.423 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.511 7.262 3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.921 9.234 3.230 1.00 0.00 H new ATOM 737 N THR A 76 2.900 3.387 3.085 1.00 0.00 N ATOM 738 CA THR A 76 1.619 2.848 2.642 1.00 0.00 C ATOM 739 C THR A 76 0.558 2.989 3.731 1.00 0.00 C ATOM 740 O THR A 76 -0.593 3.319 3.449 1.00 0.00 O ATOM 741 CB THR A 76 1.772 1.378 2.251 1.00 0.00 C ATOM 742 OG1 THR A 76 2.738 1.231 1.225 1.00 0.00 O ATOM 743 CG2 THR A 76 0.485 0.749 1.763 1.00 0.00 C ATOM 0 H THR A 76 3.600 2.679 3.308 1.00 0.00 H new ATOM 0 HA THR A 76 1.295 3.419 1.772 1.00 0.00 H new ATOM 0 HB THR A 76 2.082 0.868 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.635 1.357 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.666 -0.294 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.267 0.802 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.128 1.286 0.884 1.00 0.00 H new ATOM 751 N GLN A 77 0.952 2.730 4.974 1.00 0.00 N ATOM 752 CA GLN A 77 0.030 2.823 6.102 1.00 0.00 C ATOM 753 C GLN A 77 -0.352 4.272 6.387 1.00 0.00 C ATOM 754 O GLN A 77 -1.498 4.566 6.726 1.00 0.00 O ATOM 755 CB GLN A 77 0.652 2.194 7.351 1.00 0.00 C ATOM 756 CG GLN A 77 2.082 2.639 7.612 1.00 0.00 C ATOM 757 CD GLN A 77 2.260 3.264 8.983 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.065 4.575 9.066 1.00 0.00 O flip ATOM 759 NE2 GLN A 77 2.568 2.576 9.956 1.00 0.00 N flip ATOM 0 H GLN A 77 1.901 2.455 5.226 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.875 2.277 5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.039 2.445 8.217 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.631 1.109 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.748 1.781 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.380 3.357 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.708 1.572 9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.683 3.010 10.872 1.00 0.00 H new ATOM 768 N ARG A 78 0.613 5.176 6.250 1.00 0.00 N ATOM 769 CA ARG A 78 0.372 6.592 6.499 1.00 0.00 C ATOM 770 C ARG A 78 -0.394 7.234 5.346 1.00 0.00 C ATOM 771 O ARG A 78 -1.082 8.238 5.530 1.00 0.00 O ATOM 772 CB ARG A 78 1.696 7.326 6.717 1.00 0.00 C ATOM 773 CG ARG A 78 2.642 7.239 5.531 1.00 0.00 C ATOM 774 CD ARG A 78 2.493 8.440 4.611 1.00 0.00 C ATOM 775 NE ARG A 78 2.787 9.695 5.298 1.00 0.00 N ATOM 776 CZ ARG A 78 4.019 10.126 5.560 1.00 0.00 C ATOM 777 NH1 ARG A 78 5.072 9.408 5.191 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.198 11.277 6.192 1.00 0.00 N ATOM 0 H ARG A 78 1.568 4.953 5.968 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.236 6.673 7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.490 8.375 6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.190 6.913 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.670 7.178 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.444 6.324 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.162 8.328 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.477 8.471 4.217 1.00 0.00 H new ATOM 0 HE ARG A 78 2.002 10.275 5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.940 8.521 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.014 9.743 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.392 11.833 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.142 11.607 6.393 1.00 0.00 H new ATOM 792 N THR A 79 -0.268 6.655 4.156 1.00 0.00 N ATOM 793 CA THR A 79 -0.948 7.181 2.978 1.00 0.00 C ATOM 794 C THR A 79 -2.412 6.755 2.949 1.00 0.00 C ATOM 795 O THR A 79 -3.301 7.579 2.732 1.00 0.00 O ATOM 796 CB THR A 79 -0.243 6.718 1.704 1.00 0.00 C ATOM 797 OG1 THR A 79 0.076 5.340 1.778 1.00 0.00 O ATOM 798 CG2 THR A 79 1.037 7.475 1.425 1.00 0.00 C ATOM 0 H THR A 79 0.297 5.824 3.982 1.00 0.00 H new ATOM 0 HA THR A 79 -0.911 8.269 3.030 1.00 0.00 H new ATOM 0 HB THR A 79 -0.946 6.914 0.895 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.973 5.232 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.489 7.099 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.815 8.536 1.312 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.730 7.336 2.255 1.00 0.00 H new ATOM 806 N LEU A 80 -2.662 5.468 3.169 1.00 0.00 N ATOM 807 CA LEU A 80 -4.026 4.947 3.165 1.00 0.00 C ATOM 808 C LEU A 80 -4.913 5.743 4.115 1.00 0.00 C ATOM 809 O LEU A 80 -6.114 5.889 3.884 1.00 0.00 O ATOM 810 CB LEU A 80 -4.038 3.469 3.557 1.00 0.00 C ATOM 811 CG LEU A 80 -3.499 2.511 2.494 1.00 0.00 C ATOM 812 CD1 LEU A 80 -2.948 1.251 3.140 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.589 2.169 1.496 1.00 0.00 C ATOM 0 H LEU A 80 -1.942 4.769 3.352 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.421 5.047 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.450 3.346 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.061 3.181 3.798 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.685 3.003 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.569 0.582 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.138 1.515 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.741 0.751 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.193 1.486 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.421 1.694 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.937 3.081 1.011 1.00 0.00 H new ATOM 825 N ASP A 81 -4.313 6.263 5.181 1.00 0.00 N ATOM 826 CA ASP A 81 -5.050 7.051 6.160 1.00 0.00 C ATOM 827 C ASP A 81 -5.632 8.300 5.509 1.00 0.00 C ATOM 828 O ASP A 81 -6.715 8.757 5.873 1.00 0.00 O ATOM 829 CB ASP A 81 -4.139 7.444 7.325 1.00 0.00 C ATOM 830 CG ASP A 81 -4.914 7.700 8.603 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.102 8.074 8.512 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.333 7.526 9.695 1.00 0.00 O ATOM 0 H ASP A 81 -3.320 6.153 5.388 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.868 6.442 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.411 6.651 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.578 8.339 7.058 1.00 0.00 H new ATOM 837 N MET A 82 -4.906 8.843 4.536 1.00 0.00 N ATOM 838 CA MET A 82 -5.351 10.034 3.825 1.00 0.00 C ATOM 839 C MET A 82 -6.589 9.728 2.988 1.00 0.00 C ATOM 840 O MET A 82 -7.447 10.589 2.792 1.00 0.00 O ATOM 841 CB MET A 82 -4.231 10.569 2.930 1.00 0.00 C ATOM 842 CG MET A 82 -3.187 11.380 3.681 1.00 0.00 C ATOM 843 SD MET A 82 -2.104 12.309 2.579 1.00 0.00 S ATOM 844 CE MET A 82 -1.007 11.013 2.008 1.00 0.00 C ATOM 0 H MET A 82 -4.007 8.476 4.223 1.00 0.00 H new ATOM 0 HA MET A 82 -5.608 10.796 4.561 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.741 9.731 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.668 11.190 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.688 12.071 4.359 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.585 10.710 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.214 11.449 1.401 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.569 10.503 2.866 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.570 10.297 1.409 1.00 0.00 H new ATOM 854 N ALA A 83 -6.676 8.493 2.503 1.00 0.00 N ATOM 855 CA ALA A 83 -7.811 8.068 1.693 1.00 0.00 C ATOM 856 C ALA A 83 -9.066 7.934 2.547 1.00 0.00 C ATOM 857 O ALA A 83 -10.181 8.137 2.067 1.00 0.00 O ATOM 858 CB ALA A 83 -7.499 6.752 0.997 1.00 0.00 C ATOM 0 H ALA A 83 -5.974 7.770 2.657 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.995 8.829 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.355 6.446 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.629 6.879 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.288 5.986 1.744 1.00 0.00 H new ATOM 864 N ASP A 84 -8.875 7.598 3.819 1.00 0.00 N ATOM 865 CA ASP A 84 -9.988 7.444 4.748 1.00 0.00 C ATOM 866 C ASP A 84 -10.259 8.755 5.478 1.00 0.00 C ATOM 867 O ASP A 84 -10.452 8.774 6.694 1.00 0.00 O ATOM 868 CB ASP A 84 -9.686 6.335 5.758 1.00 0.00 C ATOM 869 CG ASP A 84 -10.939 5.806 6.428 1.00 0.00 C ATOM 870 OD1 ASP A 84 -11.655 5.001 5.797 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.204 6.197 7.584 1.00 0.00 O ATOM 0 H ASP A 84 -7.957 7.427 4.230 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.877 7.171 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.175 5.516 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.004 6.716 6.518 1.00 0.00 H new ATOM 876 N MET A 85 -10.265 9.853 4.728 1.00 0.00 N ATOM 877 CA MET A 85 -10.502 11.171 5.304 1.00 0.00 C ATOM 878 C MET A 85 -11.566 11.937 4.525 1.00 0.00 C ATOM 879 O MET A 85 -12.649 12.202 5.041 1.00 0.00 O ATOM 880 CB MET A 85 -9.201 11.975 5.334 1.00 0.00 C ATOM 881 CG MET A 85 -9.350 13.348 5.967 1.00 0.00 C ATOM 882 SD MET A 85 -9.768 14.626 4.766 1.00 0.00 S ATOM 883 CE MET A 85 -9.487 16.106 5.734 1.00 0.00 C ATOM 0 H MET A 85 -10.108 9.855 3.720 1.00 0.00 H new ATOM 0 HA MET A 85 -10.864 11.029 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.447 11.411 5.883 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.832 12.092 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 85 -10.124 13.308 6.733 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.419 13.616 6.467 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.704 16.985 5.126 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.139 16.099 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.447 16.137 6.058 1.00 0.00 H new ATOM 893 N GLN A 86 -11.237 12.301 3.283 1.00 0.00 N ATOM 894 CA GLN A 86 -12.144 13.058 2.410 1.00 0.00 C ATOM 895 C GLN A 86 -13.617 12.807 2.735 1.00 0.00 C ATOM 896 O GLN A 86 -14.409 13.746 2.815 1.00 0.00 O ATOM 897 CB GLN A 86 -11.876 12.713 0.946 1.00 0.00 C ATOM 898 CG GLN A 86 -12.394 13.758 -0.029 1.00 0.00 C ATOM 899 CD GLN A 86 -11.729 15.108 0.155 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.503 15.213 0.160 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.538 16.150 0.309 1.00 0.00 N ATOM 0 H GLN A 86 -10.338 12.081 2.853 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.945 14.115 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.803 12.592 0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.339 11.753 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.228 13.412 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.471 13.867 0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.549 16.017 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.148 17.084 0.438 1.00 0.00 H new ATOM 910 N HIS A 87 -13.980 11.544 2.925 1.00 0.00 N ATOM 911 CA HIS A 87 -15.362 11.196 3.243 1.00 0.00 C ATOM 912 C HIS A 87 -15.567 11.108 4.754 1.00 0.00 C ATOM 913 O HIS A 87 -16.085 10.116 5.267 1.00 0.00 O ATOM 914 CB HIS A 87 -15.780 9.877 2.572 1.00 0.00 C ATOM 915 CG HIS A 87 -14.642 8.976 2.199 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.156 8.620 0.986 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -13.869 8.313 3.128 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.111 7.759 1.202 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -12.957 7.589 2.501 1.00 0.00 N flip ATOM 0 H HIS A 87 -13.344 10.749 2.865 1.00 0.00 H new ATOM 0 HA HIS A 87 -15.996 11.990 2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.447 9.338 3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.352 10.108 1.674 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -14.503 8.934 0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.989 8.375 4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.511 7.295 0.433 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.124 17.542 -0.340 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.641 17.399 -1.697 1.00 0.00 C ATOM 1112 C LEU A 101 -6.456 16.115 -1.832 1.00 0.00 C ATOM 1113 O LEU A 101 -6.276 15.173 -1.062 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.493 17.402 -2.709 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.469 18.524 -2.526 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.254 18.286 -3.407 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.099 19.873 -2.836 1.00 0.00 C ATOM 0 HA LEU A 101 -6.294 18.247 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.975 16.445 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.914 17.475 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.142 18.527 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.537 19.094 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.790 17.337 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.563 18.256 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.358 20.660 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.453 19.881 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.938 20.046 -2.163 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.374 16.064 -2.812 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.226 14.892 -3.035 1.00 0.00 C ATOM 1131 C PRO A 102 -7.479 13.719 -3.664 1.00 0.00 C ATOM 1132 O PRO A 102 -7.730 12.562 -3.327 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.293 15.415 -3.996 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.620 16.514 -4.742 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.663 17.149 -3.771 1.00 0.00 C ATOM 0 HA PRO A 102 -8.619 14.498 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.638 14.631 -4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.168 15.779 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.092 16.128 -5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.346 17.241 -5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.758 17.496 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.107 18.013 -3.277 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.572 14.018 -4.588 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.809 12.977 -5.269 1.00 0.00 C ATOM 1145 C HIS A 103 -4.564 12.567 -4.480 1.00 0.00 C ATOM 1146 O HIS A 103 -3.897 11.594 -4.829 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.419 13.440 -6.677 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.284 14.418 -6.705 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.970 15.240 -5.643 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.386 14.702 -7.677 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.928 15.988 -5.962 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.555 15.680 -7.190 1.00 0.00 N ATOM 0 H HIS A 103 -6.348 14.969 -4.882 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.450 12.099 -5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.149 12.568 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.288 13.894 -7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.333 14.244 -8.654 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.461 16.726 -5.326 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.775 16.101 -7.695 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.250 13.308 -3.418 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.081 13.006 -2.594 1.00 0.00 C ATOM 1163 C GLU A 104 -3.039 11.527 -2.216 1.00 0.00 C ATOM 1164 O GLU A 104 -2.149 10.790 -2.640 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.086 13.861 -1.325 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.275 15.140 -1.449 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.923 15.040 -0.772 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.887 14.960 0.474 1.00 0.00 O ATOM 1169 OE2 GLU A 104 0.101 15.042 -1.487 1.00 0.00 O ATOM 0 H GLU A 104 -4.787 14.119 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.193 13.239 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.115 14.117 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.693 13.270 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.133 15.375 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.836 15.966 -1.012 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.009 11.104 -1.412 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.093 9.716 -0.965 1.00 0.00 C ATOM 1178 C ASN A 105 -4.020 8.746 -2.141 1.00 0.00 C ATOM 1179 O ASN A 105 -3.278 7.765 -2.103 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.395 9.494 -0.195 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.598 10.053 -0.926 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.218 9.367 -1.739 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.931 11.307 -0.643 1.00 0.00 N ATOM 0 H ASN A 105 -4.752 11.705 -1.055 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.242 9.523 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.538 8.426 -0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.319 9.963 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.730 11.740 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.388 11.838 0.038 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.802 9.021 -3.179 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.834 8.169 -4.364 1.00 0.00 C ATOM 1192 C VAL A 106 -3.442 7.990 -4.966 1.00 0.00 C ATOM 1193 O VAL A 106 -2.871 6.901 -4.918 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.776 8.745 -5.437 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.914 7.780 -6.606 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.136 9.063 -4.837 1.00 0.00 C ATOM 0 H VAL A 106 -5.424 9.828 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.206 7.197 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.343 9.672 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.584 8.206 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.935 7.608 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.322 6.834 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.789 9.469 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.577 8.152 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.019 9.796 -4.039 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.905 9.063 -5.539 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.582 9.023 -6.158 1.00 0.00 C ATOM 1208 C ASP A 107 -0.543 8.438 -5.206 1.00 0.00 C ATOM 1209 O ASP A 107 0.376 7.735 -5.628 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.159 10.427 -6.592 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.103 10.402 -7.679 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.934 9.733 -7.484 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.312 11.053 -8.724 1.00 0.00 O ATOM 0 H ASP A 107 -3.365 9.972 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.642 8.378 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.032 10.972 -6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.775 10.971 -5.729 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.694 8.732 -3.920 1.00 0.00 N ATOM 1219 CA ASP A 108 0.232 8.236 -2.910 1.00 0.00 C ATOM 1220 C ASP A 108 0.019 6.746 -2.656 1.00 0.00 C ATOM 1221 O ASP A 108 0.973 6.002 -2.430 1.00 0.00 O ATOM 1222 CB ASP A 108 0.060 9.015 -1.606 1.00 0.00 C ATOM 1223 CG ASP A 108 0.880 10.290 -1.581 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.273 10.764 -2.668 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.128 10.815 -0.476 1.00 0.00 O ATOM 0 H ASP A 108 -1.449 9.311 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 108 1.246 8.380 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.993 9.261 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.351 8.383 -0.767 1.00 0.00 H new ATOM 1230 N MET A 109 -1.239 6.317 -2.696 1.00 0.00 N ATOM 1231 CA MET A 109 -1.570 4.915 -2.468 1.00 0.00 C ATOM 1232 C MET A 109 -1.002 4.038 -3.578 1.00 0.00 C ATOM 1233 O MET A 109 -0.228 3.116 -3.320 1.00 0.00 O ATOM 1234 CB MET A 109 -3.087 4.732 -2.377 1.00 0.00 C ATOM 1235 CG MET A 109 -3.577 4.439 -0.968 1.00 0.00 C ATOM 1236 SD MET A 109 -4.843 5.598 -0.415 1.00 0.00 S ATOM 1237 CE MET A 109 -6.089 5.360 -1.678 1.00 0.00 C ATOM 0 H MET A 109 -2.042 6.917 -2.883 1.00 0.00 H new ATOM 0 HA MET A 109 -1.121 4.610 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.577 5.634 -2.744 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.387 3.916 -3.035 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.977 3.426 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.733 4.474 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.051 5.157 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.166 6.260 -2.287 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.810 4.517 -2.310 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.387 4.335 -4.815 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.913 3.577 -5.968 1.00 0.00 C ATOM 1249 C ARG A 110 0.605 3.436 -5.937 1.00 0.00 C ATOM 1250 O ARG A 110 1.155 2.434 -6.390 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.349 4.257 -7.266 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.910 5.709 -7.367 1.00 0.00 C ATOM 1253 CD ARG A 110 -0.506 6.073 -8.787 1.00 0.00 C ATOM 1254 NE ARG A 110 -1.535 6.858 -9.464 1.00 0.00 N ATOM 1255 CZ ARG A 110 -1.595 7.020 -10.784 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -0.688 6.454 -11.571 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -2.565 7.749 -11.318 1.00 0.00 N ATOM 0 H ARG A 110 -2.026 5.096 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.353 2.581 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.942 3.703 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.435 4.208 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.722 6.359 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.071 5.884 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.426 6.638 -8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.313 5.162 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.249 7.308 -8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.060 5.892 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.739 6.582 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.265 8.185 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.612 7.874 -12.329 1.00 0.00 H new ATOM 1271 N SER A 111 1.276 4.446 -5.392 1.00 0.00 N ATOM 1272 CA SER A 111 2.730 4.429 -5.295 1.00 0.00 C ATOM 1273 C SER A 111 3.194 3.256 -4.438 1.00 0.00 C ATOM 1274 O SER A 111 4.168 2.576 -4.768 1.00 0.00 O ATOM 1275 CB SER A 111 3.239 5.745 -4.701 1.00 0.00 C ATOM 1276 OG SER A 111 4.372 6.219 -5.408 1.00 0.00 O ATOM 0 H SER A 111 0.837 5.284 -5.012 1.00 0.00 H new ATOM 0 HA SER A 111 3.140 4.313 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.447 6.493 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.496 5.599 -3.652 1.00 0.00 H new ATOM 0 HG SER A 111 4.677 7.061 -5.010 1.00 0.00 H new ATOM 1282 N ALA A 112 2.485 3.019 -3.338 1.00 0.00 N ATOM 1283 CA ALA A 112 2.819 1.924 -2.435 1.00 0.00 C ATOM 1284 C ALA A 112 2.848 0.592 -3.176 1.00 0.00 C ATOM 1285 O ALA A 112 3.706 -0.253 -2.919 1.00 0.00 O ATOM 1286 CB ALA A 112 1.827 1.865 -1.283 1.00 0.00 C ATOM 0 H ALA A 112 1.676 3.571 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 112 3.815 2.111 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.090 1.042 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.857 2.803 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.822 1.707 -1.676 1.00 0.00 H new ATOM 1292 N ILE A 113 1.908 0.410 -4.099 1.00 0.00 N ATOM 1293 CA ILE A 113 1.835 -0.821 -4.874 1.00 0.00 C ATOM 1294 C ILE A 113 3.064 -0.975 -5.766 1.00 0.00 C ATOM 1295 O ILE A 113 3.488 -2.089 -6.066 1.00 0.00 O ATOM 1296 CB ILE A 113 0.543 -0.882 -5.727 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.018 -2.306 -5.733 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.790 -0.398 -7.153 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.168 -2.505 -4.771 1.00 0.00 C ATOM 0 H ILE A 113 1.190 1.097 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 113 1.810 -1.649 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.190 -0.214 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.351 -2.553 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.781 -3.004 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.138 -0.455 -7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.140 0.634 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.544 -1.027 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.516 -3.536 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.834 -2.290 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.984 -1.832 -5.035 1.00 0.00 H new ATOM 1311 N THR A 114 3.637 0.151 -6.179 1.00 0.00 N ATOM 1312 CA THR A 114 4.823 0.132 -7.025 1.00 0.00 C ATOM 1313 C THR A 114 5.960 -0.592 -6.316 1.00 0.00 C ATOM 1314 O THR A 114 6.739 -1.314 -6.938 1.00 0.00 O ATOM 1315 CB THR A 114 5.250 1.556 -7.384 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.200 2.244 -8.040 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.466 1.607 -8.283 1.00 0.00 C ATOM 0 H THR A 114 3.300 1.084 -5.942 1.00 0.00 H new ATOM 0 HA THR A 114 4.583 -0.400 -7.946 1.00 0.00 H new ATOM 0 HB THR A 114 5.500 2.031 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.492 3.153 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.715 2.646 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.308 1.128 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.252 1.084 -9.215 1.00 0.00 H new ATOM 1325 N ASP A 115 6.038 -0.399 -5.003 1.00 0.00 N ATOM 1326 CA ASP A 115 7.069 -1.039 -4.195 1.00 0.00 C ATOM 1327 C ASP A 115 6.646 -2.454 -3.813 1.00 0.00 C ATOM 1328 O ASP A 115 7.447 -3.388 -3.867 1.00 0.00 O ATOM 1329 CB ASP A 115 7.345 -0.217 -2.935 1.00 0.00 C ATOM 1330 CG ASP A 115 8.798 -0.282 -2.510 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.465 -1.289 -2.828 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.270 0.674 -1.859 1.00 0.00 O ATOM 0 H ASP A 115 5.399 0.196 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 115 7.983 -1.095 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.068 0.822 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.715 -0.579 -2.123 1.00 0.00 H new ATOM 1337 N TRP A 116 5.381 -2.606 -3.431 1.00 0.00 N ATOM 1338 CA TRP A 116 4.850 -3.908 -3.045 1.00 0.00 C ATOM 1339 C TRP A 116 4.835 -4.861 -4.235 1.00 0.00 C ATOM 1340 O TRP A 116 5.341 -5.980 -4.153 1.00 0.00 O ATOM 1341 CB TRP A 116 3.437 -3.760 -2.479 1.00 0.00 C ATOM 1342 CG TRP A 116 3.415 -3.448 -1.014 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.313 -2.214 -0.441 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.500 -4.386 0.064 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.328 -2.326 0.927 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.441 -3.650 1.263 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.618 -5.778 0.134 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.497 -4.259 2.514 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.673 -6.381 1.376 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.613 -5.622 2.552 1.00 0.00 C ATOM 0 H TRP A 116 4.705 -1.843 -3.381 1.00 0.00 H new ATOM 0 HA TRP A 116 5.500 -4.324 -2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.918 -2.969 -3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.884 -4.683 -2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.232 -1.284 -0.985 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.265 -1.550 1.586 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.665 -6.371 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.451 -3.676 3.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.764 -7.455 1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.659 -6.123 3.508 1.00 0.00 H new ATOM 1361 N SER A 117 4.257 -4.407 -5.345 1.00 0.00 N ATOM 1362 CA SER A 117 4.183 -5.218 -6.556 1.00 0.00 C ATOM 1363 C SER A 117 5.569 -5.708 -6.959 1.00 0.00 C ATOM 1364 O SER A 117 5.762 -6.885 -7.261 1.00 0.00 O ATOM 1365 CB SER A 117 3.562 -4.413 -7.700 1.00 0.00 C ATOM 1366 OG SER A 117 2.169 -4.238 -7.506 1.00 0.00 O ATOM 0 H SER A 117 3.834 -3.483 -5.430 1.00 0.00 H new ATOM 0 HA SER A 117 3.553 -6.083 -6.349 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.047 -3.439 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.739 -4.925 -8.646 1.00 0.00 H new ATOM 0 HG SER A 117 1.798 -3.719 -8.250 1.00 0.00 H new ATOM 1372 N ASP A 118 6.533 -4.795 -6.950 1.00 0.00 N ATOM 1373 CA ASP A 118 7.905 -5.134 -7.305 1.00 0.00 C ATOM 1374 C ASP A 118 8.465 -6.186 -6.351 1.00 0.00 C ATOM 1375 O ASP A 118 9.408 -6.903 -6.687 1.00 0.00 O ATOM 1376 CB ASP A 118 8.786 -3.884 -7.278 1.00 0.00 C ATOM 1377 CG ASP A 118 9.997 -4.010 -8.181 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.616 -5.095 -8.195 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.327 -3.025 -8.874 1.00 0.00 O ATOM 0 H ASP A 118 6.390 -3.816 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 118 7.904 -5.545 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.196 -3.020 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.116 -3.698 -6.256 1.00 0.00 H new ATOM 1384 N MET A 119 7.877 -6.274 -5.160 1.00 0.00 N ATOM 1385 CA MET A 119 8.317 -7.238 -4.159 1.00 0.00 C ATOM 1386 C MET A 119 7.850 -8.646 -4.512 1.00 0.00 C ATOM 1387 O MET A 119 8.653 -9.574 -4.583 1.00 0.00 O ATOM 1388 CB MET A 119 7.792 -6.848 -2.777 1.00 0.00 C ATOM 1389 CG MET A 119 8.526 -7.531 -1.634 1.00 0.00 C ATOM 1390 SD MET A 119 8.372 -6.637 -0.076 1.00 0.00 S ATOM 1391 CE MET A 119 10.087 -6.544 0.430 1.00 0.00 C ATOM 0 H MET A 119 7.095 -5.689 -4.866 1.00 0.00 H new ATOM 0 HA MET A 119 9.407 -7.230 -4.143 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.875 -5.768 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.732 -7.095 -2.717 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.136 -8.541 -1.509 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.581 -7.627 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.148 -6.584 1.518 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.638 -7.383 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.520 -5.608 0.076 1.00 0.00 H new ATOM 1401 N ARG A 120 6.547 -8.802 -4.730 1.00 0.00 N ATOM 1402 CA ARG A 120 5.980 -10.105 -5.072 1.00 0.00 C ATOM 1403 C ARG A 120 6.772 -10.773 -6.194 1.00 0.00 C ATOM 1404 O ARG A 120 6.844 -12.000 -6.270 1.00 0.00 O ATOM 1405 CB ARG A 120 4.512 -9.960 -5.478 1.00 0.00 C ATOM 1406 CG ARG A 120 4.302 -9.116 -6.725 1.00 0.00 C ATOM 1407 CD ARG A 120 3.148 -9.639 -7.564 1.00 0.00 C ATOM 1408 NE ARG A 120 2.680 -8.647 -8.529 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.719 -8.876 -9.421 1.00 0.00 C ATOM 1410 NH1 ARG A 120 1.121 -10.060 -9.473 1.00 0.00 N ATOM 1411 NH2 ARG A 120 1.353 -7.918 -10.262 1.00 0.00 N ATOM 0 H ARG A 120 5.865 -8.045 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 120 6.041 -10.739 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.091 -10.951 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.958 -9.515 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.105 -8.083 -6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.214 -9.113 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.463 -10.539 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.324 -9.925 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 120 3.115 -7.725 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.397 -10.800 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.385 -10.230 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 120 1.808 -7.006 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.617 -8.093 -10.946 1.00 0.00 H new ATOM 1425 N GLU A 121 7.367 -9.960 -7.061 1.00 0.00 N ATOM 1426 CA GLU A 121 8.155 -10.476 -8.174 1.00 0.00 C ATOM 1427 C GLU A 121 9.577 -10.805 -7.728 1.00 0.00 C ATOM 1428 O GLU A 121 10.118 -11.856 -8.072 1.00 0.00 O ATOM 1429 CB GLU A 121 8.188 -9.461 -9.318 1.00 0.00 C ATOM 1430 CG GLU A 121 7.028 -9.602 -10.290 1.00 0.00 C ATOM 1431 CD GLU A 121 7.451 -10.180 -11.626 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.597 -9.918 -12.050 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.638 -10.895 -12.248 1.00 0.00 O ATOM 0 H GLU A 121 7.318 -8.942 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 121 7.683 -11.393 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.180 -8.454 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.125 -9.572 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.264 -10.242 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.572 -8.625 -10.449 1.00 0.00 H new ATOM 1440 N ALA A 122 10.175 -9.901 -6.960 1.00 0.00 N ATOM 1441 CA ALA A 122 11.532 -10.096 -6.464 1.00 0.00 C ATOM 1442 C ALA A 122 11.572 -11.177 -5.390 1.00 0.00 C ATOM 1443 O ALA A 122 12.350 -12.127 -5.478 1.00 0.00 O ATOM 1444 CB ALA A 122 12.087 -8.789 -5.919 1.00 0.00 C ATOM 0 H ALA A 122 9.741 -9.026 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 122 12.154 -10.423 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.101 -8.949 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.102 -8.041 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.456 -8.439 -5.102 1.00 0.00 H new ATOM 1450 N LEU A 123 10.724 -11.025 -4.378 1.00 0.00 N ATOM 1451 CA LEU A 123 10.654 -11.984 -3.282 1.00 0.00 C ATOM 1452 C LEU A 123 10.412 -13.396 -3.811 1.00 0.00 C ATOM 1453 O LEU A 123 11.017 -14.358 -3.338 1.00 0.00 O ATOM 1454 CB LEU A 123 9.540 -11.591 -2.307 1.00 0.00 C ATOM 1455 CG LEU A 123 10.006 -11.245 -0.892 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.109 -10.198 -0.932 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.835 -10.756 -0.052 1.00 0.00 C ATOM 0 H LEU A 123 10.074 -10.244 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 123 11.609 -11.972 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.006 -10.733 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.825 -12.412 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 123 10.408 -12.147 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.427 -9.965 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.957 -10.584 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.735 -9.293 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.183 -10.514 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.405 -9.866 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.077 -11.537 0.005 1.00 0.00 H new ATOM 1469 N GLN A 124 9.527 -13.511 -4.796 1.00 0.00 N ATOM 1470 CA GLN A 124 9.207 -14.804 -5.390 1.00 0.00 C ATOM 1471 C GLN A 124 10.462 -15.468 -5.949 1.00 0.00 C ATOM 1472 O GLN A 124 10.715 -16.648 -5.702 1.00 0.00 O ATOM 1473 CB GLN A 124 8.166 -14.636 -6.498 1.00 0.00 C ATOM 1474 CG GLN A 124 6.735 -14.824 -6.022 1.00 0.00 C ATOM 1475 CD GLN A 124 5.731 -14.767 -7.157 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.058 -15.885 -7.407 1.00 0.00 O flip ATOM 1477 NE2 GLN A 124 5.561 -13.732 -7.801 1.00 0.00 N flip ATOM 0 H GLN A 124 9.019 -12.724 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 124 8.795 -15.444 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.268 -13.642 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.373 -15.354 -7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.648 -15.784 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.495 -14.053 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.100 -12.896 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.881 -13.710 -8.561 1.00 0.00 H new ATOM 1486 N HIS A 125 11.246 -14.702 -6.699 1.00 0.00 N ATOM 1487 CA HIS A 125 12.476 -15.215 -7.290 1.00 0.00 C ATOM 1488 C HIS A 125 13.536 -15.446 -6.218 1.00 0.00 C ATOM 1489 O HIS A 125 14.299 -16.410 -6.283 1.00 0.00 O ATOM 1490 CB HIS A 125 13.003 -14.242 -8.348 1.00 0.00 C ATOM 1491 CG HIS A 125 13.572 -14.920 -9.555 1.00 0.00 C ATOM 1492 ND1 HIS A 125 12.915 -14.977 -10.767 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.745 -15.572 -9.735 1.00 0.00 C ATOM 1494 CE1 HIS A 125 13.659 -15.635 -11.639 1.00 0.00 C ATOM 1495 NE2 HIS A 125 14.774 -16.006 -11.038 1.00 0.00 N ATOM 0 H HIS A 125 11.052 -13.724 -6.912 1.00 0.00 H new ATOM 0 HA HIS A 125 12.253 -16.170 -7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.192 -13.583 -8.660 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.771 -13.612 -7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.515 -15.723 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 125 13.399 -15.835 -12.668 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.534 -16.530 -11.471 1.00 0.00 H new ATOM 1504 N ALA A 126 13.578 -14.554 -5.232 1.00 0.00 N ATOM 1505 CA ALA A 126 14.543 -14.659 -4.145 1.00 0.00 C ATOM 1506 C ALA A 126 14.245 -15.864 -3.259 1.00 0.00 C ATOM 1507 O ALA A 126 15.158 -16.534 -2.777 1.00 0.00 O ATOM 1508 CB ALA A 126 14.547 -13.383 -3.317 1.00 0.00 C ATOM 0 H ALA A 126 12.954 -13.750 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 126 15.531 -14.799 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.272 -13.476 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.817 -12.539 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.555 -13.219 -2.897 1.00 0.00 H new ATOM 1514 N MET A 127 12.960 -16.133 -3.046 1.00 0.00 N ATOM 1515 CA MET A 127 12.542 -17.257 -2.215 1.00 0.00 C ATOM 1516 C MET A 127 13.079 -18.573 -2.769 1.00 0.00 C ATOM 1517 O MET A 127 13.519 -19.441 -2.016 1.00 0.00 O ATOM 1518 CB MET A 127 11.015 -17.311 -2.124 1.00 0.00 C ATOM 1519 CG MET A 127 10.499 -17.581 -0.720 1.00 0.00 C ATOM 1520 SD MET A 127 8.802 -18.191 -0.709 1.00 0.00 S ATOM 1521 CE MET A 127 7.907 -16.708 -1.162 1.00 0.00 C ATOM 0 H MET A 127 12.191 -15.588 -3.437 1.00 0.00 H new ATOM 0 HA MET A 127 12.953 -17.111 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.605 -16.365 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.647 -18.088 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.146 -18.310 -0.233 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.555 -16.664 -0.134 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.909 -16.737 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.441 -15.833 -0.791 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.825 -16.650 -2.247 1.00 0.00 H new ATOM 1531 N GLY A 128 13.039 -18.713 -4.090 1.00 0.00 N ATOM 1532 CA GLY A 128 13.524 -19.926 -4.722 1.00 0.00 C ATOM 1533 C GLY A 128 12.710 -20.308 -5.942 1.00 0.00 C ATOM 1534 O GLY A 128 12.337 -21.470 -6.109 1.00 0.00 O ATOM 0 H GLY A 128 12.680 -18.008 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.566 -19.790 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.498 -20.743 -4.001 1.00 0.00 H new ATOM 1538 N ILE A 129 12.434 -19.329 -6.797 1.00 0.00 N ATOM 1539 CA ILE A 129 11.659 -19.569 -8.008 1.00 0.00 C ATOM 1540 C ILE A 129 12.413 -19.094 -9.246 1.00 0.00 C ATOM 1541 O ILE A 129 13.284 -18.228 -9.160 1.00 0.00 O ATOM 1542 CB ILE A 129 10.293 -18.860 -7.950 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.595 -19.161 -6.623 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.423 -19.290 -9.123 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.270 -18.447 -6.461 1.00 0.00 C ATOM 0 H ILE A 129 12.735 -18.362 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 129 11.499 -20.645 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 129 10.454 -17.784 -8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.431 -20.236 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.254 -18.877 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.461 -18.781 -9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.919 -19.030 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.266 -20.368 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.832 -18.707 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.429 -17.370 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.594 -18.749 -7.261 1.00 0.00 H new