USER MOD reduce.3.24.130724 H: found=0, std=0, add=1293, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1293 hydrogens (26 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 126 THR OG1 : rot 180:sc= -0.0929 USER MOD Set 1.2: A 170 NDP O2D : rot 40:sc= -0.733 USER MOD Set 2.1: A 116 THR OG1 : rot -28:sc= -1! USER MOD Set 2.2: A 155 TYR OH : rot -77:sc= 0.147 USER MOD Set 3.1: A 58 THR OG1 : rot 172:sc= 0 USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.0884 K(o=0.31,f=-1.4) USER MOD Set 3.3: A 92 GLN :FLIP amide:sc= 0.218 F(o=-0.86,f=0.31) USER MOD Set 4.1: A 63 THR OG1 : rot 132:sc= 0.261 USER MOD Set 4.2: A 65 GLN : amide:sc= 0.141 X(o=0.4,f=0.086) USER MOD Set 5.1: A 48 SER OG : rot -86:sc= 0.476 USER MOD Set 5.2: A 170 NDP O3D : rot -41:sc= -0.057 USER MOD Set 6.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 18 HIS :FLIP no HD1:sc= -0.257 F(o=-1.1,f=-0.26) USER MOD Single : A 1 THR N :NH3+ -125:sc= 0.492 (180deg=0.000177) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 7 GLN :FLIP amide:sc= -5.85! C(o=-8.8!,f=-5.9!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.0065) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 34 THR OG1 : rot -94:sc= 0.552 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -137:sc= -3.72 (180deg=-5.88!) USER MOD Single : A 45 THR OG1 : rot -33:sc= 0.817 USER MOD Single : A 46 TYR OH : rot 108:sc= 0.577 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.02! C(o=-3.7!,f=-3!) USER MOD Single : A 64 HIS : no HE2:sc= -7.06! C(o=-7.1!,f=-7!) USER MOD Single : A 68 TYR OH : rot 88:sc= 2.5! USER MOD Single : A 69 GLN :FLIP amide:sc= -0.571 F(o=-1.4,f=-0.57) USER MOD Single : A 71 GLN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -4.04 K(o=-4,f=-8.4!) USER MOD Single : A 85 TYR OH : rot -130:sc= -3.45! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-1.9!,f=0) USER MOD Single : A 104 THR OG1 : rot 103:sc= -3.45! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -152:sc= -0.0757 (180deg=-0.859) USER MOD Single : A 128 MET CE :methyl -146:sc= -1.56 (180deg=-5.3!) USER MOD Single : A 132 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 138 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.913) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 31:sc= 0.38 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.32) USER MOD Single : A 152 THR OG1 : rot 93:sc= 0.512 USER MOD Single : A 153 HIS : no HE2:sc= -8.48! C(o=-8.5!,f=-8.2!) USER MOD Single : A 154 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 159 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.09) USER MOD Single : A 170 NDP O3B : rot 154:sc= 0.798 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.027 9.592 5.287 1.00 0.00 N ATOM 2 CA THR A 1 -4.519 9.062 3.994 1.00 0.00 C ATOM 3 C THR A 1 -3.031 8.738 4.079 1.00 0.00 C ATOM 4 O THR A 1 -2.191 9.637 4.131 1.00 0.00 O ATOM 5 CB THR A 1 -4.775 10.104 2.900 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.089 11.364 3.465 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.907 9.725 1.969 1.00 0.00 C ATOM 0 H1 THR A 1 -5.836 9.019 5.603 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.272 9.549 6.001 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.329 10.579 5.163 1.00 0.00 H new ATOM 0 HA THR A 1 -5.043 8.136 3.757 1.00 0.00 H new ATOM 0 HB THR A 1 -3.850 10.151 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.247 12.014 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 1 -6.037 10.504 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 1 -5.672 8.781 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.828 9.616 2.542 1.00 0.00 H new ATOM 17 N ALA A 2 -2.711 7.449 4.091 1.00 0.00 N ATOM 18 CA ALA A 2 -1.325 7.005 4.169 1.00 0.00 C ATOM 19 C ALA A 2 -1.034 5.929 3.129 1.00 0.00 C ATOM 20 O ALA A 2 -1.925 5.182 2.727 1.00 0.00 O ATOM 21 CB ALA A 2 -1.014 6.488 5.565 1.00 0.00 C ATOM 0 H ALA A 2 -3.394 6.693 4.048 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.683 7.861 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.025 6.160 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.174 7.284 6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.670 5.649 5.797 1.00 0.00 H new ATOM 27 N PHE A 3 0.219 5.858 2.697 1.00 0.00 N ATOM 28 CA PHE A 3 0.632 4.874 1.703 1.00 0.00 C ATOM 29 C PHE A 3 1.624 3.884 2.306 1.00 0.00 C ATOM 30 O PHE A 3 2.653 4.280 2.847 1.00 0.00 O ATOM 31 CB PHE A 3 1.270 5.575 0.503 1.00 0.00 C ATOM 32 CG PHE A 3 0.301 5.906 -0.598 1.00 0.00 C ATOM 33 CD1 PHE A 3 -0.970 6.376 -0.308 1.00 0.00 C ATOM 34 CD2 PHE A 3 0.667 5.749 -1.926 1.00 0.00 C ATOM 35 CE1 PHE A 3 -1.858 6.683 -1.322 1.00 0.00 C ATOM 36 CE2 PHE A 3 -0.217 6.054 -2.943 1.00 0.00 C ATOM 37 CZ PHE A 3 -1.480 6.522 -2.641 1.00 0.00 C ATOM 0 H PHE A 3 0.968 6.471 3.020 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.252 4.328 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.746 6.495 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.058 4.939 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.270 6.504 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.654 5.384 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.846 7.048 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.080 5.926 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.172 6.762 -3.435 1.00 0.00 H new ATOM 47 N LEU A 4 1.312 2.596 2.215 1.00 0.00 N ATOM 48 CA LEU A 4 2.189 1.568 2.760 1.00 0.00 C ATOM 49 C LEU A 4 2.387 0.426 1.767 1.00 0.00 C ATOM 50 O LEU A 4 1.447 -0.303 1.450 1.00 0.00 O ATOM 51 CB LEU A 4 1.615 1.029 4.069 1.00 0.00 C ATOM 52 CG LEU A 4 2.367 -0.159 4.669 1.00 0.00 C ATOM 53 CD1 LEU A 4 3.808 0.219 4.976 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.660 -0.647 5.922 1.00 0.00 C ATOM 0 H LEU A 4 0.464 2.241 1.772 1.00 0.00 H new ATOM 0 HA LEU A 4 3.161 2.022 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.601 1.837 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.579 0.735 3.899 1.00 0.00 H new ATOM 0 HG LEU A 4 2.378 -0.969 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.327 -0.640 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.308 0.525 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.824 1.043 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.204 -1.493 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.622 0.159 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.646 -0.957 5.670 1.00 0.00 H new ATOM 66 N TRP A 5 3.617 0.270 1.287 1.00 0.00 N ATOM 67 CA TRP A 5 3.936 -0.792 0.339 1.00 0.00 C ATOM 68 C TRP A 5 5.436 -1.082 0.326 1.00 0.00 C ATOM 69 O TRP A 5 6.243 -0.242 0.725 1.00 0.00 O ATOM 70 CB TRP A 5 3.442 -0.423 -1.067 1.00 0.00 C ATOM 71 CG TRP A 5 4.408 0.407 -1.860 1.00 0.00 C ATOM 72 CD1 TRP A 5 5.374 -0.050 -2.710 1.00 0.00 C ATOM 73 CD2 TRP A 5 4.499 1.835 -1.879 1.00 0.00 C ATOM 74 NE1 TRP A 5 6.060 1.008 -3.256 1.00 0.00 N ATOM 75 CE2 TRP A 5 5.542 2.176 -2.761 1.00 0.00 C ATOM 76 CE3 TRP A 5 3.800 2.859 -1.235 1.00 0.00 C ATOM 77 CZ2 TRP A 5 5.900 3.497 -3.016 1.00 0.00 C ATOM 78 CZ3 TRP A 5 4.157 4.170 -1.489 1.00 0.00 C ATOM 79 CH2 TRP A 5 5.198 4.479 -2.373 1.00 0.00 C ATOM 0 H TRP A 5 4.407 0.864 1.538 1.00 0.00 H new ATOM 0 HA TRP A 5 3.422 -1.699 0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 5 3.230 -1.340 -1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.501 0.120 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 5 5.570 -1.091 -2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 5 6.830 0.936 -3.921 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.996 2.631 -0.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 6.703 3.738 -3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 3.624 4.970 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 5 5.452 5.514 -2.551 1.00 0.00 H new ATOM 90 N ALA A 6 5.802 -2.273 -0.138 1.00 0.00 N ATOM 91 CA ALA A 6 7.206 -2.669 -0.204 1.00 0.00 C ATOM 92 C ALA A 6 7.748 -2.510 -1.619 1.00 0.00 C ATOM 93 O ALA A 6 7.033 -2.738 -2.595 1.00 0.00 O ATOM 94 CB ALA A 6 7.374 -4.104 0.272 1.00 0.00 C ATOM 0 H ALA A 6 5.148 -2.980 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 6 7.777 -2.014 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.426 -4.385 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.029 -4.188 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.787 -4.769 -0.362 1.00 0.00 H new ATOM 100 N GLN A 7 9.013 -2.112 -1.731 1.00 0.00 N ATOM 101 CA GLN A 7 9.631 -1.920 -3.038 1.00 0.00 C ATOM 102 C GLN A 7 11.134 -2.172 -2.990 1.00 0.00 C ATOM 103 O GLN A 7 11.744 -2.144 -1.922 1.00 0.00 O ATOM 104 CB GLN A 7 9.360 -0.503 -3.544 1.00 0.00 C ATOM 105 CG GLN A 7 9.780 0.582 -2.565 1.00 0.00 C ATOM 106 CD GLN A 7 8.618 1.446 -2.114 1.00 0.00 C ATOM 107 OE1 GLN A 7 7.803 0.917 -1.209 1.00 0.00 O flip ATOM 108 NE2 GLN A 7 8.456 2.576 -2.574 1.00 0.00 N flip ATOM 0 H GLN A 7 9.625 -1.918 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 7 9.189 -2.643 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.888 -0.355 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.296 -0.399 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.243 0.120 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.537 1.213 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.107 2.942 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.670 3.146 -2.261 1.00 0.00 H new ATOM 117 N ASP A 8 11.725 -2.414 -4.158 1.00 0.00 N ATOM 118 CA ASP A 8 13.159 -2.666 -4.251 1.00 0.00 C ATOM 119 C ASP A 8 13.925 -1.370 -4.514 1.00 0.00 C ATOM 120 O ASP A 8 13.377 -0.276 -4.382 1.00 0.00 O ATOM 121 CB ASP A 8 13.452 -3.698 -5.346 1.00 0.00 C ATOM 122 CG ASP A 8 13.145 -3.183 -6.739 1.00 0.00 C ATOM 123 OD1 ASP A 8 12.696 -2.026 -6.859 1.00 0.00 O ATOM 124 OD2 ASP A 8 13.354 -3.940 -7.711 1.00 0.00 O ATOM 0 H ASP A 8 11.233 -2.441 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 8 13.496 -3.069 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.502 -3.987 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.864 -4.596 -5.158 1.00 0.00 H new ATOM 129 N ARG A 9 15.201 -1.502 -4.865 1.00 0.00 N ATOM 130 CA ARG A 9 16.054 -0.345 -5.123 1.00 0.00 C ATOM 131 C ARG A 9 15.538 0.517 -6.276 1.00 0.00 C ATOM 132 O ARG A 9 15.765 1.727 -6.298 1.00 0.00 O ATOM 133 CB ARG A 9 17.486 -0.801 -5.416 1.00 0.00 C ATOM 134 CG ARG A 9 18.440 -0.590 -4.252 1.00 0.00 C ATOM 135 CD ARG A 9 19.870 -0.396 -4.732 1.00 0.00 C ATOM 136 NE ARG A 9 20.661 0.392 -3.791 1.00 0.00 N ATOM 137 CZ ARG A 9 21.933 0.728 -3.992 1.00 0.00 C ATOM 138 NH1 ARG A 9 22.561 0.348 -5.098 1.00 0.00 N ATOM 139 NH2 ARG A 9 22.580 1.447 -3.084 1.00 0.00 N ATOM 0 H ARG A 9 15.669 -2.401 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 9 16.038 0.271 -4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.475 -1.859 -5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.860 -0.260 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.127 0.281 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.393 -1.448 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.340 -1.369 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.862 0.099 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 9 20.213 0.703 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.069 -0.205 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.536 0.609 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.103 1.742 -2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.555 1.705 -3.238 1.00 0.00 H new ATOM 153 N ASP A 10 14.851 -0.098 -7.231 1.00 0.00 N ATOM 154 CA ASP A 10 14.323 0.640 -8.375 1.00 0.00 C ATOM 155 C ASP A 10 12.939 1.195 -8.066 1.00 0.00 C ATOM 156 O ASP A 10 12.569 2.275 -8.526 1.00 0.00 O ATOM 157 CB ASP A 10 14.260 -0.264 -9.608 1.00 0.00 C ATOM 158 CG ASP A 10 15.593 -0.357 -10.325 1.00 0.00 C ATOM 159 OD1 ASP A 10 16.361 0.627 -10.280 1.00 0.00 O ATOM 160 OD2 ASP A 10 15.868 -1.414 -10.931 1.00 0.00 O ATOM 0 H ASP A 10 14.647 -1.097 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 10 14.994 1.474 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.942 -1.262 -9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.506 0.117 -10.297 1.00 0.00 H new ATOM 165 N GLY A 11 12.181 0.437 -7.288 1.00 0.00 N ATOM 166 CA GLY A 11 10.838 0.848 -6.927 1.00 0.00 C ATOM 167 C GLY A 11 9.811 -0.248 -7.149 1.00 0.00 C ATOM 168 O GLY A 11 8.611 -0.018 -7.000 1.00 0.00 O ATOM 0 H GLY A 11 12.473 -0.459 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.823 1.147 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.561 1.724 -7.513 1.00 0.00 H new ATOM 172 N LEU A 12 10.280 -1.447 -7.499 1.00 0.00 N ATOM 173 CA LEU A 12 9.393 -2.585 -7.732 1.00 0.00 C ATOM 174 C LEU A 12 8.384 -2.721 -6.597 1.00 0.00 C ATOM 175 O LEU A 12 8.476 -2.027 -5.587 1.00 0.00 O ATOM 176 CB LEU A 12 10.216 -3.875 -7.847 1.00 0.00 C ATOM 177 CG LEU A 12 9.606 -4.990 -8.707 1.00 0.00 C ATOM 178 CD1 LEU A 12 9.393 -4.512 -10.135 1.00 0.00 C ATOM 179 CD2 LEU A 12 10.509 -6.214 -8.687 1.00 0.00 C ATOM 0 H LEU A 12 11.271 -1.654 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 12 8.852 -2.415 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.194 -3.623 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.381 -4.267 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 12 8.635 -5.259 -8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.960 -5.318 -10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.717 -3.657 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.350 -4.218 -10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.069 -7.001 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.489 -5.950 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.617 -6.570 -7.662 1.00 0.00 H new ATOM 191 N ILE A 13 7.446 -3.639 -6.756 1.00 0.00 N ATOM 192 CA ILE A 13 6.445 -3.899 -5.734 1.00 0.00 C ATOM 193 C ILE A 13 5.955 -5.338 -5.839 1.00 0.00 C ATOM 194 O ILE A 13 5.647 -5.979 -4.836 1.00 0.00 O ATOM 195 CB ILE A 13 5.252 -2.920 -5.813 1.00 0.00 C ATOM 196 CG1 ILE A 13 4.459 -3.103 -7.109 1.00 0.00 C ATOM 197 CG2 ILE A 13 5.742 -1.485 -5.693 1.00 0.00 C ATOM 198 CD1 ILE A 13 2.971 -2.893 -6.931 1.00 0.00 C ATOM 0 H ILE A 13 7.356 -4.221 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 13 6.922 -3.744 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 13 4.583 -3.141 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.831 -2.403 -7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.634 -4.107 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.892 -0.804 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.250 -1.353 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.436 -1.268 -6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.466 -3.037 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.587 -3.610 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.787 -1.880 -6.573 1.00 0.00 H new ATOM 210 N GLY A 14 5.897 -5.844 -7.068 1.00 0.00 N ATOM 211 CA GLY A 14 5.454 -7.201 -7.290 1.00 0.00 C ATOM 212 C GLY A 14 5.998 -7.788 -8.578 1.00 0.00 C ATOM 213 O GLY A 14 6.694 -7.112 -9.335 1.00 0.00 O ATOM 0 H GLY A 14 6.151 -5.333 -7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.766 -7.823 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.365 -7.224 -7.316 1.00 0.00 H new ATOM 217 N LYS A 15 5.663 -9.047 -8.828 1.00 0.00 N ATOM 218 CA LYS A 15 6.098 -9.739 -10.036 1.00 0.00 C ATOM 219 C LYS A 15 4.889 -10.244 -10.821 1.00 0.00 C ATOM 220 O LYS A 15 4.889 -11.363 -11.333 1.00 0.00 O ATOM 221 CB LYS A 15 7.039 -10.902 -9.682 1.00 0.00 C ATOM 222 CG LYS A 15 6.345 -12.117 -9.073 1.00 0.00 C ATOM 223 CD LYS A 15 6.017 -11.905 -7.603 1.00 0.00 C ATOM 224 CE LYS A 15 4.554 -12.200 -7.312 1.00 0.00 C ATOM 225 NZ LYS A 15 4.275 -13.664 -7.284 1.00 0.00 N ATOM 0 H LYS A 15 5.087 -9.614 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 15 6.647 -9.035 -10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.565 -11.214 -10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.793 -10.542 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.427 -12.325 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.986 -12.992 -9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.648 -12.550 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.245 -10.877 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.279 -11.760 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.931 -11.726 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.267 -13.821 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.513 -14.080 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.850 -14.113 -6.543 1.00 0.00 H new ATOM 239 N ASP A 16 3.857 -9.402 -10.898 1.00 0.00 N ATOM 240 CA ASP A 16 2.613 -9.730 -11.600 1.00 0.00 C ATOM 241 C ASP A 16 1.622 -10.393 -10.647 1.00 0.00 C ATOM 242 O ASP A 16 0.796 -11.209 -11.056 1.00 0.00 O ATOM 243 CB ASP A 16 2.872 -10.640 -12.807 1.00 0.00 C ATOM 244 CG ASP A 16 1.913 -10.370 -13.950 1.00 0.00 C ATOM 245 OD1 ASP A 16 2.009 -9.287 -14.563 1.00 0.00 O ATOM 246 OD2 ASP A 16 1.065 -11.243 -14.232 1.00 0.00 O ATOM 0 H ASP A 16 3.859 -8.473 -10.476 1.00 0.00 H new ATOM 0 HA ASP A 16 2.185 -8.797 -11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.896 -10.497 -13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.782 -11.682 -12.499 1.00 0.00 H new ATOM 251 N GLY A 17 1.716 -10.028 -9.371 1.00 0.00 N ATOM 252 CA GLY A 17 0.830 -10.580 -8.362 1.00 0.00 C ATOM 253 C GLY A 17 1.049 -9.940 -7.003 1.00 0.00 C ATOM 254 O GLY A 17 0.103 -9.476 -6.366 1.00 0.00 O ATOM 0 H GLY A 17 2.395 -9.355 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.206 -10.434 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.991 -11.655 -8.287 1.00 0.00 H new ATOM 258 N HIS A 18 2.304 -9.910 -6.565 1.00 0.00 N ATOM 259 CA HIS A 18 2.663 -9.318 -5.281 1.00 0.00 C ATOM 260 C HIS A 18 4.179 -9.313 -5.101 1.00 0.00 C ATOM 261 O HIS A 18 4.919 -9.644 -6.026 1.00 0.00 O ATOM 262 CB HIS A 18 1.997 -10.084 -4.136 1.00 0.00 C ATOM 263 CG HIS A 18 2.482 -11.493 -3.994 1.00 0.00 C ATOM 264 ND1 HIS A 18 2.387 -12.552 -4.833 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 3.157 -11.949 -2.880 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 3.000 -13.616 -4.216 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 3.456 -13.226 -3.041 1.00 0.00 N flip ATOM 0 H HIS A 18 3.094 -10.292 -7.085 1.00 0.00 H new ATOM 0 HA HIS A 18 2.307 -8.288 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.176 -9.552 -3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.919 -10.094 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.403 -11.355 -2.012 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.093 -14.611 -4.627 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.955 -13.811 -2.371 1.00 0.00 H new ATOM 276 N LEU A 19 4.634 -8.940 -3.909 1.00 0.00 N ATOM 277 CA LEU A 19 6.065 -8.891 -3.621 1.00 0.00 C ATOM 278 C LEU A 19 6.682 -10.291 -3.671 1.00 0.00 C ATOM 279 O LEU A 19 6.194 -11.216 -3.022 1.00 0.00 O ATOM 280 CB LEU A 19 6.310 -8.260 -2.248 1.00 0.00 C ATOM 281 CG LEU A 19 5.521 -8.880 -1.094 1.00 0.00 C ATOM 282 CD1 LEU A 19 6.270 -10.071 -0.511 1.00 0.00 C ATOM 283 CD2 LEU A 19 5.250 -7.837 -0.020 1.00 0.00 C ATOM 0 H LEU A 19 4.036 -8.668 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 19 6.542 -8.277 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.373 -8.330 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.066 -7.199 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 19 4.565 -9.236 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.692 -10.498 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.414 -10.825 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.241 -9.744 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.688 -8.292 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.196 -7.453 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.672 -7.017 -0.446 1.00 0.00 H new ATOM 295 N PRO A 20 7.762 -10.467 -4.460 1.00 0.00 N ATOM 296 CA PRO A 20 8.436 -11.756 -4.609 1.00 0.00 C ATOM 297 C PRO A 20 9.511 -12.006 -3.553 1.00 0.00 C ATOM 298 O PRO A 20 10.345 -12.898 -3.713 1.00 0.00 O ATOM 299 CB PRO A 20 9.078 -11.627 -5.986 1.00 0.00 C ATOM 300 CG PRO A 20 9.425 -10.180 -6.101 1.00 0.00 C ATOM 301 CD PRO A 20 8.402 -9.424 -5.286 1.00 0.00 C ATOM 0 HA PRO A 20 7.745 -12.591 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.964 -12.256 -6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.391 -11.935 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.432 -9.992 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.405 -9.858 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.871 -8.658 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.677 -8.919 -5.924 1.00 0.00 H new ATOM 309 N TRP A 21 9.501 -11.220 -2.482 1.00 0.00 N ATOM 310 CA TRP A 21 10.492 -11.377 -1.423 1.00 0.00 C ATOM 311 C TRP A 21 9.830 -11.694 -0.087 1.00 0.00 C ATOM 312 O TRP A 21 8.755 -11.181 0.223 1.00 0.00 O ATOM 313 CB TRP A 21 11.333 -10.107 -1.298 1.00 0.00 C ATOM 314 CG TRP A 21 10.506 -8.868 -1.168 1.00 0.00 C ATOM 315 CD1 TRP A 21 9.684 -8.540 -0.130 1.00 0.00 C ATOM 316 CD2 TRP A 21 10.413 -7.794 -2.110 1.00 0.00 C ATOM 317 NE1 TRP A 21 9.087 -7.327 -0.366 1.00 0.00 N ATOM 318 CE2 TRP A 21 9.519 -6.848 -1.576 1.00 0.00 C ATOM 319 CE3 TRP A 21 11.001 -7.539 -3.352 1.00 0.00 C ATOM 320 CZ2 TRP A 21 9.198 -5.667 -2.242 1.00 0.00 C ATOM 321 CZ3 TRP A 21 10.682 -6.368 -4.012 1.00 0.00 C ATOM 322 CH2 TRP A 21 9.788 -5.444 -3.456 1.00 0.00 C ATOM 0 H TRP A 21 8.824 -10.474 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 21 11.137 -12.214 -1.689 1.00 0.00 H new ATOM 0 HB2 TRP A 21 11.986 -10.194 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.977 -10.017 -2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 21 9.526 -9.147 0.749 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.429 -6.858 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.692 -8.245 -3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.508 -4.954 -1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.130 -6.161 -4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.560 -4.537 -3.997 1.00 0.00 H new ATOM 333 N HIS A 22 10.485 -12.538 0.704 1.00 0.00 N ATOM 334 CA HIS A 22 9.966 -12.919 2.012 1.00 0.00 C ATOM 335 C HIS A 22 10.525 -12.003 3.095 1.00 0.00 C ATOM 336 O HIS A 22 11.650 -12.190 3.559 1.00 0.00 O ATOM 337 CB HIS A 22 10.320 -14.374 2.322 1.00 0.00 C ATOM 338 CG HIS A 22 9.402 -15.014 3.316 1.00 0.00 C ATOM 339 ND1 HIS A 22 9.841 -15.568 4.500 1.00 0.00 N ATOM 340 CD2 HIS A 22 8.058 -15.187 3.298 1.00 0.00 C ATOM 341 CE1 HIS A 22 8.810 -16.054 5.167 1.00 0.00 C ATOM 342 NE2 HIS A 22 7.717 -15.835 4.459 1.00 0.00 N ATOM 0 H HIS A 22 11.376 -12.971 0.462 1.00 0.00 H new ATOM 0 HA HIS A 22 8.881 -12.817 1.994 1.00 0.00 H new ATOM 0 HB2 HIS A 22 10.299 -14.950 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 22 11.341 -14.418 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 22 7.382 -14.874 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.853 -16.546 6.127 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.772 -16.104 4.731 1.00 0.00 H new ATOM 351 N LEU A 23 9.737 -11.009 3.488 1.00 0.00 N ATOM 352 CA LEU A 23 10.156 -10.059 4.511 1.00 0.00 C ATOM 353 C LEU A 23 9.332 -10.227 5.788 1.00 0.00 C ATOM 354 O LEU A 23 8.265 -9.630 5.929 1.00 0.00 O ATOM 355 CB LEU A 23 10.024 -8.627 3.985 1.00 0.00 C ATOM 356 CG LEU A 23 11.343 -7.961 3.593 1.00 0.00 C ATOM 357 CD1 LEU A 23 11.796 -8.439 2.223 1.00 0.00 C ATOM 358 CD2 LEU A 23 11.200 -6.446 3.611 1.00 0.00 C ATOM 0 H LEU A 23 8.804 -10.840 3.113 1.00 0.00 H new ATOM 0 HA LEU A 23 11.200 -10.258 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.365 -8.634 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.539 -8.018 4.748 1.00 0.00 H new ATOM 0 HG LEU A 23 12.102 -8.244 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.736 -7.954 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.938 -9.519 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.039 -8.187 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.148 -5.988 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.427 -6.145 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.922 -6.119 4.613 1.00 0.00 H new ATOM 370 N PRO A 24 9.818 -11.046 6.738 1.00 0.00 N ATOM 371 CA PRO A 24 9.119 -11.287 8.005 1.00 0.00 C ATOM 372 C PRO A 24 8.772 -9.992 8.733 1.00 0.00 C ATOM 373 O PRO A 24 7.707 -9.875 9.338 1.00 0.00 O ATOM 374 CB PRO A 24 10.126 -12.102 8.820 1.00 0.00 C ATOM 375 CG PRO A 24 10.994 -12.760 7.805 1.00 0.00 C ATOM 376 CD PRO A 24 11.084 -11.798 6.653 1.00 0.00 C ATOM 0 HA PRO A 24 8.165 -11.792 7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.708 -11.462 9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.623 -12.838 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.982 -12.972 8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.570 -13.712 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.949 -11.141 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.179 -12.319 5.700 1.00 0.00 H new ATOM 384 N ASP A 25 9.681 -9.024 8.674 1.00 0.00 N ATOM 385 CA ASP A 25 9.481 -7.742 9.327 1.00 0.00 C ATOM 386 C ASP A 25 8.331 -6.969 8.687 1.00 0.00 C ATOM 387 O ASP A 25 7.530 -6.343 9.382 1.00 0.00 O ATOM 388 CB ASP A 25 10.767 -6.922 9.253 1.00 0.00 C ATOM 389 CG ASP A 25 11.362 -6.894 7.858 1.00 0.00 C ATOM 390 OD1 ASP A 25 11.677 -7.979 7.326 1.00 0.00 O ATOM 391 OD2 ASP A 25 11.512 -5.788 7.299 1.00 0.00 O ATOM 0 H ASP A 25 10.568 -9.108 8.177 1.00 0.00 H new ATOM 0 HA ASP A 25 9.224 -7.925 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.562 -5.902 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.498 -7.336 9.947 1.00 0.00 H new ATOM 396 N ASP A 26 8.257 -7.013 7.361 1.00 0.00 N ATOM 397 CA ASP A 26 7.206 -6.311 6.631 1.00 0.00 C ATOM 398 C ASP A 26 5.836 -6.916 6.921 1.00 0.00 C ATOM 399 O ASP A 26 4.849 -6.195 7.070 1.00 0.00 O ATOM 400 CB ASP A 26 7.487 -6.350 5.128 1.00 0.00 C ATOM 401 CG ASP A 26 6.875 -5.172 4.395 1.00 0.00 C ATOM 402 OD1 ASP A 26 7.436 -4.060 4.487 1.00 0.00 O ATOM 403 OD2 ASP A 26 5.835 -5.362 3.730 1.00 0.00 O ATOM 0 H ASP A 26 8.911 -7.526 6.770 1.00 0.00 H new ATOM 0 HA ASP A 26 7.199 -5.274 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.564 -6.357 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.094 -7.278 4.712 1.00 0.00 H new ATOM 408 N LEU A 27 5.779 -8.242 6.999 1.00 0.00 N ATOM 409 CA LEU A 27 4.525 -8.936 7.271 1.00 0.00 C ATOM 410 C LEU A 27 4.005 -8.599 8.664 1.00 0.00 C ATOM 411 O LEU A 27 2.923 -8.033 8.814 1.00 0.00 O ATOM 412 CB LEU A 27 4.713 -10.449 7.142 1.00 0.00 C ATOM 413 CG LEU A 27 5.475 -10.908 5.898 1.00 0.00 C ATOM 414 CD1 LEU A 27 6.351 -12.109 6.220 1.00 0.00 C ATOM 415 CD2 LEU A 27 4.504 -11.236 4.773 1.00 0.00 C ATOM 0 H LEU A 27 6.584 -8.856 6.878 1.00 0.00 H new ATOM 0 HA LEU A 27 3.792 -8.602 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.240 -10.810 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.731 -10.922 7.142 1.00 0.00 H new ATOM 0 HG LEU A 27 6.121 -10.095 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.885 -12.421 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.069 -11.838 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.727 -12.930 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.061 -11.561 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.833 -12.033 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.921 -10.349 4.525 1.00 0.00 H new ATOM 427 N HIS A 28 4.784 -8.954 9.681 1.00 0.00 N ATOM 428 CA HIS A 28 4.403 -8.692 11.066 1.00 0.00 C ATOM 429 C HIS A 28 4.084 -7.214 11.278 1.00 0.00 C ATOM 430 O HIS A 28 3.072 -6.870 11.888 1.00 0.00 O ATOM 431 CB HIS A 28 5.522 -9.124 12.015 1.00 0.00 C ATOM 432 CG HIS A 28 5.089 -9.222 13.444 1.00 0.00 C ATOM 433 ND1 HIS A 28 3.990 -9.949 13.850 1.00 0.00 N ATOM 434 CD2 HIS A 28 5.615 -8.680 14.569 1.00 0.00 C ATOM 435 CE1 HIS A 28 3.858 -9.849 15.161 1.00 0.00 C ATOM 436 NE2 HIS A 28 4.831 -9.085 15.621 1.00 0.00 N ATOM 0 H HIS A 28 5.683 -9.424 9.573 1.00 0.00 H new ATOM 0 HA HIS A 28 3.506 -9.272 11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.907 -10.092 11.693 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.345 -8.413 11.941 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.488 -8.047 14.627 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.085 -10.314 15.755 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.977 -8.836 16.599 1.00 0.00 H new ATOM 445 N TYR A 29 4.954 -6.346 10.772 1.00 0.00 N ATOM 446 CA TYR A 29 4.764 -4.907 10.908 1.00 0.00 C ATOM 447 C TYR A 29 3.495 -4.453 10.192 1.00 0.00 C ATOM 448 O TYR A 29 2.834 -3.507 10.619 1.00 0.00 O ATOM 449 CB TYR A 29 5.974 -4.157 10.348 1.00 0.00 C ATOM 450 CG TYR A 29 6.035 -2.705 10.768 1.00 0.00 C ATOM 451 CD1 TYR A 29 6.340 -2.353 12.077 1.00 0.00 C ATOM 452 CD2 TYR A 29 5.788 -1.687 9.855 1.00 0.00 C ATOM 453 CE1 TYR A 29 6.396 -1.028 12.464 1.00 0.00 C ATOM 454 CE2 TYR A 29 5.842 -0.360 10.235 1.00 0.00 C ATOM 455 CZ TYR A 29 6.147 -0.035 11.540 1.00 0.00 C ATOM 456 OH TYR A 29 6.202 1.285 11.922 1.00 0.00 O ATOM 0 H TYR A 29 5.797 -6.614 10.264 1.00 0.00 H new ATOM 0 HA TYR A 29 4.661 -4.679 11.969 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.885 -4.659 10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.952 -4.211 9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.536 -3.128 12.804 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.550 -1.937 8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.634 -0.771 13.486 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.646 0.419 9.513 1.00 0.00 H new ATOM 0 HH TYR A 29 6.003 1.857 11.152 1.00 0.00 H new ATOM 466 N PHE A 30 3.163 -5.134 9.100 1.00 0.00 N ATOM 467 CA PHE A 30 1.975 -4.801 8.322 1.00 0.00 C ATOM 468 C PHE A 30 0.710 -4.953 9.162 1.00 0.00 C ATOM 469 O PHE A 30 -0.023 -3.989 9.380 1.00 0.00 O ATOM 470 CB PHE A 30 1.888 -5.691 7.081 1.00 0.00 C ATOM 471 CG PHE A 30 0.715 -5.380 6.196 1.00 0.00 C ATOM 472 CD1 PHE A 30 0.724 -4.260 5.380 1.00 0.00 C ATOM 473 CD2 PHE A 30 -0.395 -6.208 6.180 1.00 0.00 C ATOM 474 CE1 PHE A 30 -0.353 -3.972 4.564 1.00 0.00 C ATOM 475 CE2 PHE A 30 -1.475 -5.926 5.366 1.00 0.00 C ATOM 476 CZ PHE A 30 -1.455 -4.806 4.557 1.00 0.00 C ATOM 0 H PHE A 30 3.700 -5.920 8.734 1.00 0.00 H new ATOM 0 HA PHE A 30 2.057 -3.760 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.806 -5.584 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.828 -6.733 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.583 -3.605 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.417 -7.084 6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.334 -3.096 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.334 -6.580 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.299 -4.583 3.921 1.00 0.00 H new ATOM 486 N ARG A 31 0.460 -6.172 9.630 1.00 0.00 N ATOM 487 CA ARG A 31 -0.718 -6.453 10.444 1.00 0.00 C ATOM 488 C ARG A 31 -0.608 -5.794 11.816 1.00 0.00 C ATOM 489 O ARG A 31 -1.618 -5.476 12.444 1.00 0.00 O ATOM 490 CB ARG A 31 -0.902 -7.963 10.605 1.00 0.00 C ATOM 491 CG ARG A 31 -2.300 -8.361 11.049 1.00 0.00 C ATOM 492 CD ARG A 31 -2.612 -9.804 10.685 1.00 0.00 C ATOM 493 NE ARG A 31 -2.502 -10.696 11.836 1.00 0.00 N ATOM 494 CZ ARG A 31 -3.433 -10.806 12.781 1.00 0.00 C ATOM 495 NH1 ARG A 31 -4.544 -10.082 12.715 1.00 0.00 N ATOM 496 NH2 ARG A 31 -3.253 -11.642 13.795 1.00 0.00 N ATOM 0 H ARG A 31 1.057 -6.981 9.460 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.587 -6.038 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.678 -8.451 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.179 -8.333 11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.392 -8.229 12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.032 -7.701 10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.620 -9.864 10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.929 -10.136 9.903 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.662 -11.269 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.687 -9.438 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.254 -10.170 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.401 -12.200 13.851 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.966 -11.726 14.519 1.00 0.00 H new ATOM 510 N ALA A 32 0.622 -5.597 12.280 1.00 0.00 N ATOM 511 CA ALA A 32 0.859 -4.981 13.580 1.00 0.00 C ATOM 512 C ALA A 32 0.480 -3.503 13.574 1.00 0.00 C ATOM 513 O ALA A 32 0.085 -2.950 14.600 1.00 0.00 O ATOM 514 CB ALA A 32 2.316 -5.150 13.984 1.00 0.00 C ATOM 0 H ALA A 32 1.470 -5.855 11.775 1.00 0.00 H new ATOM 0 HA ALA A 32 0.226 -5.485 14.310 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.480 -4.686 14.956 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.556 -6.212 14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.957 -4.674 13.242 1.00 0.00 H new ATOM 520 N GLN A 33 0.605 -2.867 12.414 1.00 0.00 N ATOM 521 CA GLN A 33 0.277 -1.451 12.281 1.00 0.00 C ATOM 522 C GLN A 33 -1.161 -1.260 11.807 1.00 0.00 C ATOM 523 O GLN A 33 -1.789 -0.241 12.095 1.00 0.00 O ATOM 524 CB GLN A 33 1.244 -0.773 11.306 1.00 0.00 C ATOM 525 CG GLN A 33 2.235 0.159 11.984 1.00 0.00 C ATOM 526 CD GLN A 33 1.901 1.622 11.769 1.00 0.00 C ATOM 527 OE1 GLN A 33 1.555 2.337 12.711 1.00 0.00 O ATOM 528 NE2 GLN A 33 2.001 2.076 10.525 1.00 0.00 N ATOM 0 H GLN A 33 0.930 -3.308 11.554 1.00 0.00 H new ATOM 0 HA GLN A 33 0.376 -0.989 13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.794 -1.540 10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.670 -0.208 10.572 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.254 -0.052 13.053 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.236 -0.041 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.291 1.449 9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.788 3.052 10.320 1.00 0.00 H new ATOM 537 N THR A 34 -1.678 -2.243 11.076 1.00 0.00 N ATOM 538 CA THR A 34 -3.042 -2.174 10.562 1.00 0.00 C ATOM 539 C THR A 34 -4.023 -2.869 11.503 1.00 0.00 C ATOM 540 O THR A 34 -4.952 -3.543 11.058 1.00 0.00 O ATOM 541 CB THR A 34 -3.115 -2.808 9.172 1.00 0.00 C ATOM 542 OG1 THR A 34 -2.649 -4.146 9.205 1.00 0.00 O ATOM 543 CG2 THR A 34 -2.306 -2.065 8.131 1.00 0.00 C ATOM 0 H THR A 34 -1.175 -3.094 10.827 1.00 0.00 H new ATOM 0 HA THR A 34 -3.322 -1.123 10.493 1.00 0.00 H new ATOM 0 HB THR A 34 -4.167 -2.763 8.890 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.699 -4.167 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.402 -2.568 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.675 -1.043 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.258 -2.048 8.429 1.00 0.00 H new ATOM 551 N VAL A 35 -3.815 -2.697 12.804 1.00 0.00 N ATOM 552 CA VAL A 35 -4.686 -3.308 13.802 1.00 0.00 C ATOM 553 C VAL A 35 -5.845 -2.384 14.157 1.00 0.00 C ATOM 554 O VAL A 35 -5.703 -1.483 14.984 1.00 0.00 O ATOM 555 CB VAL A 35 -3.913 -3.660 15.087 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.784 -4.482 16.024 1.00 0.00 C ATOM 557 CG2 VAL A 35 -2.629 -4.402 14.752 1.00 0.00 C ATOM 0 H VAL A 35 -3.053 -2.141 13.192 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.076 -4.225 13.361 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.646 -2.733 15.595 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.222 -4.722 16.927 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.672 -3.909 16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.083 -5.405 15.527 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.097 -4.642 15.672 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.869 -5.323 14.221 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.999 -3.774 14.122 1.00 0.00 H new ATOM 567 N GLY A 36 -6.992 -2.613 13.527 1.00 0.00 N ATOM 568 CA GLY A 36 -8.160 -1.793 13.790 1.00 0.00 C ATOM 569 C GLY A 36 -8.266 -0.612 12.844 1.00 0.00 C ATOM 570 O GLY A 36 -8.889 0.398 13.171 1.00 0.00 O ATOM 0 H GLY A 36 -7.134 -3.352 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.057 -2.406 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.121 -1.429 14.817 1.00 0.00 H new ATOM 574 N LYS A 37 -7.657 -0.738 11.669 1.00 0.00 N ATOM 575 CA LYS A 37 -7.687 0.328 10.674 1.00 0.00 C ATOM 576 C LYS A 37 -8.331 -0.156 9.379 1.00 0.00 C ATOM 577 O LYS A 37 -8.804 -1.290 9.296 1.00 0.00 O ATOM 578 CB LYS A 37 -6.270 0.833 10.394 1.00 0.00 C ATOM 579 CG LYS A 37 -5.588 1.438 11.610 1.00 0.00 C ATOM 580 CD LYS A 37 -4.194 1.943 11.272 1.00 0.00 C ATOM 581 CE LYS A 37 -3.732 3.005 12.256 1.00 0.00 C ATOM 582 NZ LYS A 37 -2.264 3.241 12.170 1.00 0.00 N ATOM 0 H LYS A 37 -7.137 -1.567 11.383 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.285 1.147 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.665 0.006 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.310 1.580 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.191 2.260 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.524 0.692 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.492 1.109 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.190 2.354 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.262 3.937 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.992 2.699 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.989 3.972 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.757 2.358 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.019 3.558 11.210 1.00 0.00 H new ATOM 596 N ILE A 38 -8.343 0.708 8.369 1.00 0.00 N ATOM 597 CA ILE A 38 -8.926 0.365 7.075 1.00 0.00 C ATOM 598 C ILE A 38 -7.889 0.496 5.964 1.00 0.00 C ATOM 599 O ILE A 38 -7.225 1.525 5.839 1.00 0.00 O ATOM 600 CB ILE A 38 -10.153 1.246 6.726 1.00 0.00 C ATOM 601 CG1 ILE A 38 -10.460 2.247 7.845 1.00 0.00 C ATOM 602 CG2 ILE A 38 -11.371 0.372 6.452 1.00 0.00 C ATOM 603 CD1 ILE A 38 -11.340 3.395 7.401 1.00 0.00 C ATOM 0 H ILE A 38 -7.956 1.650 8.421 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.261 -0.669 7.153 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.912 1.813 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.947 1.723 8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.523 2.646 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.225 1.004 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.161 -0.293 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.600 -0.221 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.517 4.065 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.846 3.943 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.292 3.005 7.041 1.00 0.00 H new ATOM 615 N MET A 39 -7.753 -0.555 5.162 1.00 0.00 N ATOM 616 CA MET A 39 -6.792 -0.559 4.063 1.00 0.00 C ATOM 617 C MET A 39 -7.500 -0.668 2.715 1.00 0.00 C ATOM 618 O MET A 39 -8.385 -1.504 2.532 1.00 0.00 O ATOM 619 CB MET A 39 -5.803 -1.715 4.232 1.00 0.00 C ATOM 620 CG MET A 39 -4.828 -1.863 3.075 1.00 0.00 C ATOM 621 SD MET A 39 -5.363 -3.091 1.868 1.00 0.00 S ATOM 622 CE MET A 39 -5.576 -4.527 2.916 1.00 0.00 C ATOM 0 H MET A 39 -8.295 -1.414 5.252 1.00 0.00 H new ATOM 0 HA MET A 39 -6.247 0.385 4.086 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.239 -1.567 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 39 -6.361 -2.644 4.346 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.710 -0.900 2.579 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.849 -2.144 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.161 -5.404 2.420 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.059 -4.367 3.862 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.638 -4.685 3.105 1.00 0.00 H new ATOM 632 N VAL A 40 -7.096 0.179 1.772 1.00 0.00 N ATOM 633 CA VAL A 40 -7.682 0.178 0.437 1.00 0.00 C ATOM 634 C VAL A 40 -6.850 -0.667 -0.521 1.00 0.00 C ATOM 635 O VAL A 40 -5.622 -0.589 -0.525 1.00 0.00 O ATOM 636 CB VAL A 40 -7.802 1.607 -0.125 1.00 0.00 C ATOM 637 CG1 VAL A 40 -8.579 1.605 -1.433 1.00 0.00 C ATOM 638 CG2 VAL A 40 -8.459 2.528 0.892 1.00 0.00 C ATOM 0 H VAL A 40 -6.364 0.876 1.909 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.680 -0.251 0.526 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.799 1.983 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.653 2.624 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.062 0.981 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.580 1.208 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.535 3.533 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.456 2.157 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.857 2.555 1.800 1.00 0.00 H new ATOM 648 N VAL A 41 -7.525 -1.480 -1.327 1.00 0.00 N ATOM 649 CA VAL A 41 -6.843 -2.343 -2.282 1.00 0.00 C ATOM 650 C VAL A 41 -7.453 -2.214 -3.679 1.00 0.00 C ATOM 651 O VAL A 41 -8.633 -1.896 -3.824 1.00 0.00 O ATOM 652 CB VAL A 41 -6.874 -3.820 -1.812 1.00 0.00 C ATOM 653 CG1 VAL A 41 -7.971 -4.613 -2.512 1.00 0.00 C ATOM 654 CG2 VAL A 41 -5.517 -4.473 -2.022 1.00 0.00 C ATOM 0 H VAL A 41 -8.542 -1.559 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.803 -2.020 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.102 -3.823 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.960 -5.643 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.940 -4.164 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.799 -4.600 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.556 -5.509 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.259 -4.443 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.762 -3.935 -1.449 1.00 0.00 H new ATOM 664 N GLY A 42 -6.639 -2.460 -4.703 1.00 0.00 N ATOM 665 CA GLY A 42 -7.115 -2.363 -6.072 1.00 0.00 C ATOM 666 C GLY A 42 -7.769 -3.642 -6.556 1.00 0.00 C ATOM 667 O GLY A 42 -7.668 -4.683 -5.906 1.00 0.00 O ATOM 0 H GLY A 42 -5.658 -2.725 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.830 -1.544 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.279 -2.117 -6.727 1.00 0.00 H new ATOM 671 N ARG A 43 -8.445 -3.563 -7.700 1.00 0.00 N ATOM 672 CA ARG A 43 -9.124 -4.722 -8.270 1.00 0.00 C ATOM 673 C ARG A 43 -8.183 -5.921 -8.383 1.00 0.00 C ATOM 674 O ARG A 43 -8.415 -6.970 -7.779 1.00 0.00 O ATOM 675 CB ARG A 43 -9.690 -4.377 -9.650 1.00 0.00 C ATOM 676 CG ARG A 43 -10.352 -5.553 -10.352 1.00 0.00 C ATOM 677 CD ARG A 43 -10.524 -5.287 -11.837 1.00 0.00 C ATOM 678 NE ARG A 43 -11.445 -4.183 -12.086 1.00 0.00 N ATOM 679 CZ ARG A 43 -12.139 -4.033 -13.212 1.00 0.00 C ATOM 680 NH1 ARG A 43 -12.007 -4.902 -14.207 1.00 0.00 N ATOM 681 NH2 ARG A 43 -12.965 -3.007 -13.344 1.00 0.00 N ATOM 0 H ARG A 43 -8.537 -2.709 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.940 -4.992 -7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.418 -3.573 -9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.885 -3.997 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.749 -6.450 -10.209 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.325 -5.747 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.555 -5.059 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.895 -6.187 -12.327 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.564 -3.484 -11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.370 -5.693 -14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.543 -4.779 -15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.068 -2.334 -12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.498 -2.889 -14.205 1.00 0.00 H new ATOM 695 N ARG A 44 -7.123 -5.757 -9.166 1.00 0.00 N ATOM 696 CA ARG A 44 -6.148 -6.818 -9.372 1.00 0.00 C ATOM 697 C ARG A 44 -5.507 -7.254 -8.057 1.00 0.00 C ATOM 698 O ARG A 44 -4.932 -8.339 -7.971 1.00 0.00 O ATOM 699 CB ARG A 44 -5.067 -6.342 -10.340 1.00 0.00 C ATOM 700 CG ARG A 44 -5.606 -5.922 -11.698 1.00 0.00 C ATOM 701 CD ARG A 44 -6.203 -7.097 -12.454 1.00 0.00 C ATOM 702 NE ARG A 44 -7.423 -6.722 -13.162 1.00 0.00 N ATOM 703 CZ ARG A 44 -7.925 -7.403 -14.189 1.00 0.00 C ATOM 704 NH1 ARG A 44 -7.322 -8.502 -14.625 1.00 0.00 N ATOM 705 NH2 ARG A 44 -9.035 -6.984 -14.782 1.00 0.00 N ATOM 0 H ARG A 44 -6.918 -4.894 -9.670 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.670 -7.678 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.536 -5.501 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.339 -7.141 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.365 -5.151 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.803 -5.480 -12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.472 -7.480 -13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.422 -7.905 -11.756 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.921 -5.888 -12.851 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.469 -8.829 -14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.712 -9.019 -15.413 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.503 -6.140 -14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.421 -7.505 -15.569 1.00 0.00 H new ATOM 719 N THR A 45 -5.596 -6.405 -7.038 1.00 0.00 N ATOM 720 CA THR A 45 -5.008 -6.716 -5.741 1.00 0.00 C ATOM 721 C THR A 45 -5.895 -7.657 -4.929 1.00 0.00 C ATOM 722 O THR A 45 -5.422 -8.678 -4.429 1.00 0.00 O ATOM 723 CB THR A 45 -4.740 -5.434 -4.953 1.00 0.00 C ATOM 724 OG1 THR A 45 -4.440 -4.361 -5.827 1.00 0.00 O ATOM 725 CG2 THR A 45 -3.589 -5.565 -3.979 1.00 0.00 C ATOM 0 H THR A 45 -6.067 -5.501 -7.085 1.00 0.00 H new ATOM 0 HA THR A 45 -4.062 -7.226 -5.925 1.00 0.00 H new ATOM 0 HB THR A 45 -5.654 -5.242 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.963 -4.702 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.450 -4.622 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.809 -6.354 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.678 -5.814 -4.524 1.00 0.00 H new ATOM 733 N TYR A 46 -7.179 -7.321 -4.790 1.00 0.00 N ATOM 734 CA TYR A 46 -8.097 -8.163 -4.025 1.00 0.00 C ATOM 735 C TYR A 46 -8.022 -9.612 -4.502 1.00 0.00 C ATOM 736 O TYR A 46 -8.049 -10.543 -3.697 1.00 0.00 O ATOM 737 CB TYR A 46 -9.543 -7.633 -4.103 1.00 0.00 C ATOM 738 CG TYR A 46 -10.238 -7.856 -5.434 1.00 0.00 C ATOM 739 CD1 TYR A 46 -10.489 -9.139 -5.909 1.00 0.00 C ATOM 740 CD2 TYR A 46 -10.647 -6.781 -6.214 1.00 0.00 C ATOM 741 CE1 TYR A 46 -11.117 -9.343 -7.119 1.00 0.00 C ATOM 742 CE2 TYR A 46 -11.280 -6.980 -7.427 1.00 0.00 C ATOM 743 CZ TYR A 46 -11.510 -8.262 -7.876 1.00 0.00 C ATOM 744 OH TYR A 46 -12.139 -8.463 -9.083 1.00 0.00 O ATOM 0 H TYR A 46 -7.601 -6.484 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.790 -8.129 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.131 -8.110 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.534 -6.564 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.186 -9.991 -5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -10.468 -5.774 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -11.300 -10.347 -7.472 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.593 -6.134 -8.020 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.088 -8.234 -8.999 1.00 0.00 H new ATOM 754 N GLU A 47 -7.923 -9.793 -5.817 1.00 0.00 N ATOM 755 CA GLU A 47 -7.839 -11.126 -6.402 1.00 0.00 C ATOM 756 C GLU A 47 -6.414 -11.661 -6.313 1.00 0.00 C ATOM 757 O GLU A 47 -6.186 -12.869 -6.363 1.00 0.00 O ATOM 758 CB GLU A 47 -8.294 -11.093 -7.863 1.00 0.00 C ATOM 759 CG GLU A 47 -9.534 -11.927 -8.131 1.00 0.00 C ATOM 760 CD GLU A 47 -9.212 -13.261 -8.775 1.00 0.00 C ATOM 761 OE1 GLU A 47 -8.601 -14.115 -8.099 1.00 0.00 O ATOM 762 OE2 GLU A 47 -9.570 -13.452 -9.957 1.00 0.00 O ATOM 0 H GLU A 47 -7.899 -9.032 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.497 -11.790 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.492 -10.060 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.482 -11.450 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.061 -12.099 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.210 -11.369 -8.779 1.00 0.00 H new ATOM 769 N SER A 48 -5.462 -10.747 -6.178 1.00 0.00 N ATOM 770 CA SER A 48 -4.054 -11.117 -6.079 1.00 0.00 C ATOM 771 C SER A 48 -3.552 -11.007 -4.640 1.00 0.00 C ATOM 772 O SER A 48 -2.349 -10.902 -4.401 1.00 0.00 O ATOM 773 CB SER A 48 -3.207 -10.231 -6.994 1.00 0.00 C ATOM 774 OG SER A 48 -1.894 -10.747 -7.131 1.00 0.00 O ATOM 0 H SER A 48 -5.638 -9.743 -6.134 1.00 0.00 H new ATOM 0 HA SER A 48 -3.959 -12.156 -6.396 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.678 -10.161 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.163 -9.220 -6.588 1.00 0.00 H new ATOM 0 HG SER A 48 -1.337 -10.426 -6.391 1.00 0.00 H new ATOM 780 N PHE A 49 -4.477 -11.037 -3.683 1.00 0.00 N ATOM 781 CA PHE A 49 -4.119 -10.946 -2.271 1.00 0.00 C ATOM 782 C PHE A 49 -4.225 -12.316 -1.599 1.00 0.00 C ATOM 783 O PHE A 49 -5.322 -12.840 -1.415 1.00 0.00 O ATOM 784 CB PHE A 49 -5.023 -9.941 -1.555 1.00 0.00 C ATOM 785 CG PHE A 49 -4.310 -9.130 -0.511 1.00 0.00 C ATOM 786 CD1 PHE A 49 -3.326 -8.220 -0.870 1.00 0.00 C ATOM 787 CD2 PHE A 49 -4.623 -9.277 0.831 1.00 0.00 C ATOM 788 CE1 PHE A 49 -2.670 -7.474 0.090 1.00 0.00 C ATOM 789 CE2 PHE A 49 -3.969 -8.534 1.795 1.00 0.00 C ATOM 790 CZ PHE A 49 -2.992 -7.631 1.424 1.00 0.00 C ATOM 0 H PHE A 49 -5.478 -11.123 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.087 -10.603 -2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.459 -9.267 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.848 -10.477 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.070 -8.093 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.387 -9.981 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.906 -6.769 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.222 -8.659 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.480 -7.048 2.176 1.00 0.00 H new ATOM 800 N PRO A 50 -3.081 -12.924 -1.233 1.00 0.00 N ATOM 801 CA PRO A 50 -3.057 -14.246 -0.594 1.00 0.00 C ATOM 802 C PRO A 50 -3.715 -14.256 0.785 1.00 0.00 C ATOM 803 O PRO A 50 -4.133 -15.308 1.269 1.00 0.00 O ATOM 804 CB PRO A 50 -1.561 -14.567 -0.467 1.00 0.00 C ATOM 805 CG PRO A 50 -0.873 -13.621 -1.391 1.00 0.00 C ATOM 806 CD PRO A 50 -1.725 -12.388 -1.426 1.00 0.00 C ATOM 0 HA PRO A 50 -3.618 -14.974 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.217 -14.435 0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.357 -15.602 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.132 -13.391 -1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.770 -14.053 -2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.452 -11.685 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.631 -11.858 -2.374 1.00 0.00 H new ATOM 814 N LYS A 51 -3.793 -13.091 1.423 1.00 0.00 N ATOM 815 CA LYS A 51 -4.389 -12.996 2.753 1.00 0.00 C ATOM 816 C LYS A 51 -5.563 -12.018 2.780 1.00 0.00 C ATOM 817 O LYS A 51 -5.497 -10.973 3.427 1.00 0.00 O ATOM 818 CB LYS A 51 -3.332 -12.567 3.773 1.00 0.00 C ATOM 819 CG LYS A 51 -3.831 -12.578 5.208 1.00 0.00 C ATOM 820 CD LYS A 51 -3.669 -13.949 5.844 1.00 0.00 C ATOM 821 CE LYS A 51 -4.368 -14.025 7.191 1.00 0.00 C ATOM 822 NZ LYS A 51 -3.431 -13.765 8.319 1.00 0.00 N ATOM 0 H LYS A 51 -3.454 -12.206 1.045 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.771 -13.983 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.471 -13.230 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.986 -11.563 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.282 -11.838 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.881 -12.287 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.076 -14.710 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.609 -14.170 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.181 -13.299 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.817 -15.011 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.926 -13.909 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.625 -14.419 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.087 -12.785 8.266 1.00 0.00 H new ATOM 836 N ARG A 52 -6.642 -12.368 2.085 1.00 0.00 N ATOM 837 CA ARG A 52 -7.831 -11.522 2.048 1.00 0.00 C ATOM 838 C ARG A 52 -9.055 -12.281 2.569 1.00 0.00 C ATOM 839 O ARG A 52 -9.344 -13.386 2.111 1.00 0.00 O ATOM 840 CB ARG A 52 -8.090 -11.020 0.625 1.00 0.00 C ATOM 841 CG ARG A 52 -8.287 -12.133 -0.393 1.00 0.00 C ATOM 842 CD ARG A 52 -9.425 -11.818 -1.352 1.00 0.00 C ATOM 843 NE ARG A 52 -10.709 -12.311 -0.860 1.00 0.00 N ATOM 844 CZ ARG A 52 -11.881 -12.002 -1.410 1.00 0.00 C ATOM 845 NH1 ARG A 52 -11.936 -11.202 -2.468 1.00 0.00 N ATOM 846 NH2 ARG A 52 -13.002 -12.495 -0.901 1.00 0.00 N ATOM 0 H ARG A 52 -6.718 -13.228 1.542 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.654 -10.663 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.975 -10.384 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.252 -10.398 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.365 -12.279 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.496 -13.069 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.484 -10.740 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.214 -12.264 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.707 -12.928 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.077 -10.820 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.837 -10.969 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.966 -13.111 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.900 -12.259 -1.322 1.00 0.00 H new ATOM 860 N PRO A 53 -9.800 -11.705 3.536 1.00 0.00 N ATOM 861 CA PRO A 53 -9.514 -10.401 4.123 1.00 0.00 C ATOM 862 C PRO A 53 -8.563 -10.504 5.313 1.00 0.00 C ATOM 863 O PRO A 53 -8.498 -11.537 5.979 1.00 0.00 O ATOM 864 CB PRO A 53 -10.894 -9.905 4.577 1.00 0.00 C ATOM 865 CG PRO A 53 -11.814 -11.093 4.532 1.00 0.00 C ATOM 866 CD PRO A 53 -10.994 -12.295 4.139 1.00 0.00 C ATOM 0 HA PRO A 53 -9.019 -9.732 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.845 -9.491 5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.255 -9.111 3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.282 -11.251 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.617 -10.927 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.746 -12.912 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.527 -12.933 3.434 1.00 0.00 H new ATOM 874 N LEU A 54 -7.826 -9.430 5.572 1.00 0.00 N ATOM 875 CA LEU A 54 -6.877 -9.403 6.680 1.00 0.00 C ATOM 876 C LEU A 54 -7.606 -9.407 8.028 1.00 0.00 C ATOM 877 O LEU A 54 -8.582 -8.680 8.215 1.00 0.00 O ATOM 878 CB LEU A 54 -5.975 -8.173 6.570 1.00 0.00 C ATOM 879 CG LEU A 54 -5.115 -8.116 5.306 1.00 0.00 C ATOM 880 CD1 LEU A 54 -4.821 -6.673 4.927 1.00 0.00 C ATOM 881 CD2 LEU A 54 -3.822 -8.892 5.505 1.00 0.00 C ATOM 0 H LEU A 54 -7.867 -8.567 5.030 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.262 -10.301 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.598 -7.279 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.319 -8.143 7.440 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.670 -8.579 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.208 -6.651 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.758 -6.147 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.286 -6.185 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.223 -8.840 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.262 -8.459 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.053 -9.933 5.728 1.00 0.00 H new ATOM 893 N PRO A 55 -7.151 -10.240 8.985 1.00 0.00 N ATOM 894 CA PRO A 55 -7.776 -10.346 10.309 1.00 0.00 C ATOM 895 C PRO A 55 -7.584 -9.100 11.172 1.00 0.00 C ATOM 896 O PRO A 55 -6.690 -8.288 10.932 1.00 0.00 O ATOM 897 CB PRO A 55 -7.070 -11.547 10.960 1.00 0.00 C ATOM 898 CG PRO A 55 -6.330 -12.226 9.856 1.00 0.00 C ATOM 899 CD PRO A 55 -6.010 -11.158 8.853 1.00 0.00 C ATOM 0 HA PRO A 55 -8.856 -10.460 10.217 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.389 -11.222 11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.791 -12.222 11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.420 -12.697 10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.936 -13.014 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.064 -10.664 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.929 -11.561 7.844 1.00 0.00 H new ATOM 907 N GLU A 56 -8.433 -8.977 12.190 1.00 0.00 N ATOM 908 CA GLU A 56 -8.391 -7.857 13.131 1.00 0.00 C ATOM 909 C GLU A 56 -8.195 -6.512 12.434 1.00 0.00 C ATOM 910 O GLU A 56 -7.653 -5.577 13.024 1.00 0.00 O ATOM 911 CB GLU A 56 -7.274 -8.075 14.153 1.00 0.00 C ATOM 912 CG GLU A 56 -7.716 -8.853 15.382 1.00 0.00 C ATOM 913 CD GLU A 56 -6.614 -9.728 15.945 1.00 0.00 C ATOM 914 OE1 GLU A 56 -5.487 -9.221 16.124 1.00 0.00 O ATOM 915 OE2 GLU A 56 -6.878 -10.920 16.208 1.00 0.00 O ATOM 0 H GLU A 56 -9.172 -9.652 12.387 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.358 -7.825 13.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.453 -8.607 13.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.886 -7.106 14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.048 -8.154 16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.573 -9.475 15.125 1.00 0.00 H new ATOM 922 N ARG A 57 -8.650 -6.405 11.191 1.00 0.00 N ATOM 923 CA ARG A 57 -8.530 -5.155 10.451 1.00 0.00 C ATOM 924 C ARG A 57 -9.652 -5.016 9.426 1.00 0.00 C ATOM 925 O ARG A 57 -10.269 -6.006 9.030 1.00 0.00 O ATOM 926 CB ARG A 57 -7.154 -5.056 9.778 1.00 0.00 C ATOM 927 CG ARG A 57 -7.047 -5.802 8.455 1.00 0.00 C ATOM 928 CD ARG A 57 -7.545 -4.964 7.283 1.00 0.00 C ATOM 929 NE ARG A 57 -7.225 -3.545 7.434 1.00 0.00 N ATOM 930 CZ ARG A 57 -6.015 -3.031 7.231 1.00 0.00 C ATOM 931 NH1 ARG A 57 -5.007 -3.813 6.866 1.00 0.00 N ATOM 932 NH2 ARG A 57 -5.812 -1.731 7.393 1.00 0.00 N ATOM 0 H ARG A 57 -9.102 -7.162 10.678 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.623 -4.331 11.158 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.920 -4.005 9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.399 -5.444 10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.009 -6.086 8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.624 -6.725 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.102 -5.337 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.625 -5.082 7.189 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.975 -2.911 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.158 -4.814 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.081 -3.413 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.583 -1.125 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.884 -1.336 7.237 1.00 0.00 H new ATOM 946 N THR A 58 -9.910 -3.785 8.998 1.00 0.00 N ATOM 947 CA THR A 58 -10.956 -3.522 8.016 1.00 0.00 C ATOM 948 C THR A 58 -10.367 -3.452 6.611 1.00 0.00 C ATOM 949 O THR A 58 -9.423 -2.705 6.360 1.00 0.00 O ATOM 950 CB THR A 58 -11.680 -2.217 8.348 1.00 0.00 C ATOM 951 OG1 THR A 58 -12.046 -2.181 9.717 1.00 0.00 O ATOM 952 CG2 THR A 58 -12.937 -2.006 7.532 1.00 0.00 C ATOM 0 H THR A 58 -9.410 -2.954 9.315 1.00 0.00 H new ATOM 0 HA THR A 58 -11.674 -4.342 8.051 1.00 0.00 H new ATOM 0 HB THR A 58 -10.972 -1.424 8.107 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.395 -1.292 9.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.402 -1.062 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.683 -1.980 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.633 -2.824 7.718 1.00 0.00 H new ATOM 960 N ASN A 59 -10.922 -4.243 5.700 1.00 0.00 N ATOM 961 CA ASN A 59 -10.440 -4.275 4.325 1.00 0.00 C ATOM 962 C ASN A 59 -11.312 -3.419 3.412 1.00 0.00 C ATOM 963 O ASN A 59 -12.513 -3.271 3.640 1.00 0.00 O ATOM 964 CB ASN A 59 -10.402 -5.714 3.810 1.00 0.00 C ATOM 965 CG ASN A 59 -9.246 -6.505 4.391 1.00 0.00 C ATOM 966 OD1 ASN A 59 -9.262 -6.693 5.705 1.00 0.00 O flip ATOM 967 ND2 ASN A 59 -8.351 -6.941 3.668 1.00 0.00 N flip ATOM 0 H ASN A 59 -11.705 -4.869 5.888 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.431 -3.863 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.340 -6.211 4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.323 -5.706 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.380 -6.772 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.580 -7.471 4.074 1.00 0.00 H new ATOM 974 N VAL A 60 -10.695 -2.863 2.375 1.00 0.00 N ATOM 975 CA VAL A 60 -11.404 -2.025 1.416 1.00 0.00 C ATOM 976 C VAL A 60 -10.962 -2.351 -0.009 1.00 0.00 C ATOM 977 O VAL A 60 -9.769 -2.359 -0.314 1.00 0.00 O ATOM 978 CB VAL A 60 -11.174 -0.526 1.703 1.00 0.00 C ATOM 979 CG1 VAL A 60 -11.783 0.340 0.609 1.00 0.00 C ATOM 980 CG2 VAL A 60 -11.744 -0.153 3.063 1.00 0.00 C ATOM 0 H VAL A 60 -9.701 -2.979 2.177 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.469 -2.235 1.519 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.100 -0.343 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.606 1.391 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.323 0.094 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.856 0.156 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.574 0.907 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.815 -0.357 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.253 -0.742 3.837 1.00 0.00 H new ATOM 990 N VAL A 61 -11.932 -2.627 -0.874 1.00 0.00 N ATOM 991 CA VAL A 61 -11.649 -2.964 -2.264 1.00 0.00 C ATOM 992 C VAL A 61 -11.982 -1.803 -3.198 1.00 0.00 C ATOM 993 O VAL A 61 -12.906 -1.030 -2.943 1.00 0.00 O ATOM 994 CB VAL A 61 -12.441 -4.215 -2.702 1.00 0.00 C ATOM 995 CG1 VAL A 61 -12.250 -4.492 -4.186 1.00 0.00 C ATOM 996 CG2 VAL A 61 -12.026 -5.421 -1.873 1.00 0.00 C ATOM 0 H VAL A 61 -12.924 -2.624 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.581 -3.173 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 61 -13.500 -4.024 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.819 -5.378 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.601 -3.637 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.193 -4.659 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.593 -6.295 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.961 -5.608 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.226 -5.225 -0.820 1.00 0.00 H new ATOM 1006 N LEU A 62 -11.222 -1.695 -4.284 1.00 0.00 N ATOM 1007 CA LEU A 62 -11.432 -0.636 -5.264 1.00 0.00 C ATOM 1008 C LEU A 62 -11.514 -1.212 -6.675 1.00 0.00 C ATOM 1009 O LEU A 62 -10.493 -1.448 -7.323 1.00 0.00 O ATOM 1010 CB LEU A 62 -10.304 0.396 -5.186 1.00 0.00 C ATOM 1011 CG LEU A 62 -10.595 1.726 -5.884 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -11.766 2.432 -5.221 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -9.362 2.618 -5.874 1.00 0.00 C ATOM 0 H LEU A 62 -10.455 -2.329 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.378 -0.145 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.085 0.594 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.405 -0.037 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.860 1.517 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.958 3.376 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.652 1.801 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.529 2.627 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.590 3.559 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.066 2.818 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.546 2.117 -6.396 1.00 0.00 H new ATOM 1025 N THR A 63 -12.738 -1.417 -7.150 1.00 0.00 N ATOM 1026 CA THR A 63 -12.971 -1.942 -8.491 1.00 0.00 C ATOM 1027 C THR A 63 -14.010 -1.090 -9.218 1.00 0.00 C ATOM 1028 O THR A 63 -14.983 -0.640 -8.613 1.00 0.00 O ATOM 1029 CB THR A 63 -13.440 -3.396 -8.420 1.00 0.00 C ATOM 1030 OG1 THR A 63 -13.599 -3.936 -9.720 1.00 0.00 O ATOM 1031 CG2 THR A 63 -14.754 -3.565 -7.689 1.00 0.00 C ATOM 0 H THR A 63 -13.590 -1.226 -6.622 1.00 0.00 H new ATOM 0 HA THR A 63 -12.034 -1.904 -9.046 1.00 0.00 H new ATOM 0 HB THR A 63 -12.664 -3.923 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.157 -4.810 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.029 -4.620 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.650 -3.203 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.530 -2.994 -8.199 1.00 0.00 H new ATOM 1039 N HIS A 64 -13.806 -0.869 -10.513 1.00 0.00 N ATOM 1040 CA HIS A 64 -14.740 -0.068 -11.300 1.00 0.00 C ATOM 1041 C HIS A 64 -16.095 -0.764 -11.412 1.00 0.00 C ATOM 1042 O HIS A 64 -17.127 -0.111 -11.566 1.00 0.00 O ATOM 1043 CB HIS A 64 -14.179 0.201 -12.699 1.00 0.00 C ATOM 1044 CG HIS A 64 -13.029 1.159 -12.712 1.00 0.00 C ATOM 1045 ND1 HIS A 64 -13.187 2.528 -12.644 1.00 0.00 N ATOM 1046 CD2 HIS A 64 -11.695 0.940 -12.790 1.00 0.00 C ATOM 1047 CE1 HIS A 64 -12.000 3.108 -12.682 1.00 0.00 C ATOM 1048 NE2 HIS A 64 -11.079 2.167 -12.769 1.00 0.00 N ATOM 0 H HIS A 64 -13.009 -1.230 -11.037 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.876 0.883 -10.785 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.859 -0.743 -13.140 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.975 0.594 -13.331 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.080 3.016 -12.575 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.206 -0.021 -12.856 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.815 4.172 -12.648 1.00 0.00 H new ATOM 1057 N GLN A 65 -16.083 -2.093 -11.339 1.00 0.00 N ATOM 1058 CA GLN A 65 -17.308 -2.880 -11.437 1.00 0.00 C ATOM 1059 C GLN A 65 -18.373 -2.362 -10.475 1.00 0.00 C ATOM 1060 O GLN A 65 -18.111 -2.171 -9.288 1.00 0.00 O ATOM 1061 CB GLN A 65 -17.016 -4.353 -11.147 1.00 0.00 C ATOM 1062 CG GLN A 65 -16.654 -5.157 -12.385 1.00 0.00 C ATOM 1063 CD GLN A 65 -15.805 -6.371 -12.064 1.00 0.00 C ATOM 1064 OE1 GLN A 65 -16.143 -7.495 -12.435 1.00 0.00 O ATOM 1065 NE2 GLN A 65 -14.695 -6.149 -11.371 1.00 0.00 N ATOM 0 H GLN A 65 -15.236 -2.648 -11.212 1.00 0.00 H new ATOM 0 HA GLN A 65 -17.689 -2.783 -12.454 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.198 -4.418 -10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.890 -4.802 -10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -17.568 -5.479 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.117 -4.517 -13.085 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.454 -5.200 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.083 -6.927 -11.125 1.00 0.00 H new ATOM 1074 N GLU A 66 -19.574 -2.144 -10.996 1.00 0.00 N ATOM 1075 CA GLU A 66 -20.682 -1.655 -10.184 1.00 0.00 C ATOM 1076 C GLU A 66 -21.358 -2.802 -9.441 1.00 0.00 C ATOM 1077 O GLU A 66 -21.834 -2.634 -8.319 1.00 0.00 O ATOM 1078 CB GLU A 66 -21.703 -0.924 -11.058 1.00 0.00 C ATOM 1079 CG GLU A 66 -22.185 -1.740 -12.247 1.00 0.00 C ATOM 1080 CD GLU A 66 -21.967 -1.030 -13.570 1.00 0.00 C ATOM 1081 OE1 GLU A 66 -20.884 -0.436 -13.753 1.00 0.00 O ATOM 1082 OE2 GLU A 66 -22.880 -1.068 -14.422 1.00 0.00 O ATOM 0 H GLU A 66 -19.806 -2.298 -11.977 1.00 0.00 H new ATOM 0 HA GLU A 66 -20.280 -0.957 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -22.562 -0.649 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -21.260 0.003 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -21.663 -2.697 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -23.246 -1.958 -12.127 1.00 0.00 H new ATOM 1089 N ASP A 67 -21.405 -3.967 -10.080 1.00 0.00 N ATOM 1090 CA ASP A 67 -22.034 -5.140 -9.485 1.00 0.00 C ATOM 1091 C ASP A 67 -21.009 -6.043 -8.802 1.00 0.00 C ATOM 1092 O ASP A 67 -21.272 -7.225 -8.577 1.00 0.00 O ATOM 1093 CB ASP A 67 -22.793 -5.930 -10.553 1.00 0.00 C ATOM 1094 CG ASP A 67 -24.144 -6.414 -10.062 1.00 0.00 C ATOM 1095 OD1 ASP A 67 -25.015 -5.562 -9.786 1.00 0.00 O ATOM 1096 OD2 ASP A 67 -24.330 -7.644 -9.953 1.00 0.00 O ATOM 0 H ASP A 67 -21.015 -4.123 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 67 -22.733 -4.791 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -22.933 -5.304 -11.434 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -22.194 -6.786 -10.862 1.00 0.00 H new ATOM 1101 N TYR A 68 -19.848 -5.490 -8.464 1.00 0.00 N ATOM 1102 CA TYR A 68 -18.809 -6.268 -7.797 1.00 0.00 C ATOM 1103 C TYR A 68 -19.200 -6.556 -6.351 1.00 0.00 C ATOM 1104 O TYR A 68 -19.778 -5.705 -5.674 1.00 0.00 O ATOM 1105 CB TYR A 68 -17.473 -5.527 -7.838 1.00 0.00 C ATOM 1106 CG TYR A 68 -16.330 -6.320 -7.246 1.00 0.00 C ATOM 1107 CD1 TYR A 68 -15.756 -7.375 -7.944 1.00 0.00 C ATOM 1108 CD2 TYR A 68 -15.828 -6.016 -5.987 1.00 0.00 C ATOM 1109 CE1 TYR A 68 -14.715 -8.105 -7.403 1.00 0.00 C ATOM 1110 CE2 TYR A 68 -14.786 -6.741 -5.441 1.00 0.00 C ATOM 1111 CZ TYR A 68 -14.234 -7.784 -6.152 1.00 0.00 C ATOM 1112 OH TYR A 68 -13.199 -8.508 -5.608 1.00 0.00 O ATOM 0 H TYR A 68 -19.604 -4.515 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 68 -18.702 -7.215 -8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.236 -5.278 -8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -17.571 -4.586 -7.297 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.129 -7.629 -8.925 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.259 -5.200 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.280 -8.923 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.406 -6.491 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.345 -8.123 -5.895 1.00 0.00 H new ATOM 1122 N GLN A 69 -18.888 -7.761 -5.883 1.00 0.00 N ATOM 1123 CA GLN A 69 -19.216 -8.156 -4.517 1.00 0.00 C ATOM 1124 C GLN A 69 -17.974 -8.616 -3.760 1.00 0.00 C ATOM 1125 O GLN A 69 -17.470 -9.716 -3.982 1.00 0.00 O ATOM 1126 CB GLN A 69 -20.262 -9.273 -4.526 1.00 0.00 C ATOM 1127 CG GLN A 69 -21.569 -8.878 -5.192 1.00 0.00 C ATOM 1128 CD GLN A 69 -22.229 -7.689 -4.521 1.00 0.00 C ATOM 1129 OE1 GLN A 69 -22.181 -6.537 -5.180 1.00 0.00 O flip ATOM 1130 NE2 GLN A 69 -22.775 -7.805 -3.424 1.00 0.00 N flip ATOM 0 H GLN A 69 -18.410 -8.479 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 69 -19.623 -7.284 -4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -19.850 -10.141 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -20.465 -9.578 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -21.382 -8.642 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.253 -9.727 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -22.788 -8.710 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -23.215 -6.996 -2.985 1.00 0.00 H new ATOM 1139 N ALA A 70 -17.491 -7.767 -2.858 1.00 0.00 N ATOM 1140 CA ALA A 70 -16.313 -8.086 -2.060 1.00 0.00 C ATOM 1141 C ALA A 70 -16.711 -8.480 -0.643 1.00 0.00 C ATOM 1142 O ALA A 70 -16.922 -7.623 0.215 1.00 0.00 O ATOM 1143 CB ALA A 70 -15.354 -6.907 -2.030 1.00 0.00 C ATOM 0 H ALA A 70 -17.898 -6.852 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.808 -8.934 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.481 -7.163 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.039 -6.668 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.854 -6.043 -1.593 1.00 0.00 H new ATOM 1149 N GLN A 71 -16.815 -9.782 -0.407 1.00 0.00 N ATOM 1150 CA GLN A 71 -17.194 -10.293 0.903 1.00 0.00 C ATOM 1151 C GLN A 71 -16.066 -10.102 1.910 1.00 0.00 C ATOM 1152 O GLN A 71 -14.955 -10.593 1.713 1.00 0.00 O ATOM 1153 CB GLN A 71 -17.560 -11.776 0.810 1.00 0.00 C ATOM 1154 CG GLN A 71 -18.431 -12.116 -0.390 1.00 0.00 C ATOM 1155 CD GLN A 71 -17.841 -13.219 -1.247 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -18.037 -14.404 -0.976 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -17.111 -12.834 -2.288 1.00 0.00 N ATOM 0 H GLN A 71 -16.642 -10.503 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.063 -9.730 1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.644 -12.365 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.081 -12.071 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.418 -12.420 -0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.569 -11.222 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -16.974 -11.841 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.687 -13.532 -2.900 1.00 0.00 H new ATOM 1166 N GLY A 72 -16.364 -9.395 2.994 1.00 0.00 N ATOM 1167 CA GLY A 72 -15.368 -9.164 4.021 1.00 0.00 C ATOM 1168 C GLY A 72 -14.785 -7.764 3.989 1.00 0.00 C ATOM 1169 O GLY A 72 -14.305 -7.270 5.009 1.00 0.00 O ATOM 0 H GLY A 72 -17.277 -8.979 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.817 -9.341 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.562 -9.888 3.905 1.00 0.00 H new ATOM 1173 N ALA A 73 -14.813 -7.117 2.825 1.00 0.00 N ATOM 1174 CA ALA A 73 -14.268 -5.769 2.694 1.00 0.00 C ATOM 1175 C ALA A 73 -15.284 -4.818 2.068 1.00 0.00 C ATOM 1176 O ALA A 73 -16.320 -5.247 1.560 1.00 0.00 O ATOM 1177 CB ALA A 73 -12.993 -5.798 1.865 1.00 0.00 C ATOM 0 H ALA A 73 -15.205 -7.502 1.965 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.036 -5.400 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.595 -4.787 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.256 -6.435 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.213 -6.192 0.873 1.00 0.00 H new ATOM 1183 N VAL A 74 -14.975 -3.522 2.100 1.00 0.00 N ATOM 1184 CA VAL A 74 -15.858 -2.510 1.527 1.00 0.00 C ATOM 1185 C VAL A 74 -15.617 -2.376 0.028 1.00 0.00 C ATOM 1186 O VAL A 74 -14.476 -2.394 -0.429 1.00 0.00 O ATOM 1187 CB VAL A 74 -15.652 -1.133 2.189 1.00 0.00 C ATOM 1188 CG1 VAL A 74 -16.822 -0.212 1.878 1.00 0.00 C ATOM 1189 CG2 VAL A 74 -15.466 -1.279 3.693 1.00 0.00 C ATOM 0 H VAL A 74 -14.121 -3.150 2.516 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.881 -2.839 1.711 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.746 -0.688 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.660 0.755 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.902 -0.078 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.743 -0.653 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.322 -0.295 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.350 -1.748 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.592 -1.899 3.893 1.00 0.00 H new ATOM 1199 N VAL A 75 -16.695 -2.257 -0.738 1.00 0.00 N ATOM 1200 CA VAL A 75 -16.584 -2.140 -2.187 1.00 0.00 C ATOM 1201 C VAL A 75 -16.911 -0.732 -2.678 1.00 0.00 C ATOM 1202 O VAL A 75 -17.935 -0.152 -2.316 1.00 0.00 O ATOM 1203 CB VAL A 75 -17.502 -3.151 -2.900 1.00 0.00 C ATOM 1204 CG1 VAL A 75 -17.371 -3.029 -4.412 1.00 0.00 C ATOM 1205 CG2 VAL A 75 -17.182 -4.567 -2.444 1.00 0.00 C ATOM 0 H VAL A 75 -17.651 -2.239 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.545 -2.358 -2.433 1.00 0.00 H new ATOM 0 HB VAL A 75 -18.535 -2.926 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.028 -3.753 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.651 -2.022 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.339 -3.225 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -17.838 -5.271 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.144 -4.800 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -17.334 -4.646 -1.368 1.00 0.00 H new ATOM 1215 N VAL A 76 -16.032 -0.204 -3.524 1.00 0.00 N ATOM 1216 CA VAL A 76 -16.206 1.122 -4.103 1.00 0.00 C ATOM 1217 C VAL A 76 -15.639 1.148 -5.519 1.00 0.00 C ATOM 1218 O VAL A 76 -14.916 0.235 -5.917 1.00 0.00 O ATOM 1219 CB VAL A 76 -15.525 2.213 -3.253 1.00 0.00 C ATOM 1220 CG1 VAL A 76 -16.124 2.251 -1.855 1.00 0.00 C ATOM 1221 CG2 VAL A 76 -14.021 1.991 -3.192 1.00 0.00 C ATOM 0 H VAL A 76 -15.183 -0.682 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.275 1.334 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.703 3.178 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -15.631 3.027 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.190 2.469 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.980 1.285 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.562 2.773 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.815 1.018 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.607 2.022 -4.200 1.00 0.00 H new ATOM 1231 N HIS A 77 -15.978 2.178 -6.288 1.00 0.00 N ATOM 1232 CA HIS A 77 -15.499 2.275 -7.665 1.00 0.00 C ATOM 1233 C HIS A 77 -14.824 3.616 -7.953 1.00 0.00 C ATOM 1234 O HIS A 77 -14.158 3.768 -8.976 1.00 0.00 O ATOM 1235 CB HIS A 77 -16.656 2.056 -8.647 1.00 0.00 C ATOM 1236 CG HIS A 77 -17.730 1.152 -8.122 1.00 0.00 C ATOM 1237 ND1 HIS A 77 -17.462 -0.024 -7.453 1.00 0.00 N ATOM 1238 CD2 HIS A 77 -19.079 1.260 -8.165 1.00 0.00 C ATOM 1239 CE1 HIS A 77 -18.600 -0.601 -7.108 1.00 0.00 C ATOM 1240 NE2 HIS A 77 -19.595 0.158 -7.528 1.00 0.00 N ATOM 0 H HIS A 77 -16.575 2.949 -5.988 1.00 0.00 H new ATOM 0 HA HIS A 77 -14.750 1.494 -7.798 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.096 3.021 -8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -16.261 1.637 -9.572 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -16.531 -0.391 -7.255 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -19.644 2.063 -8.616 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -18.699 -1.534 -6.574 1.00 0.00 H new ATOM 1249 N ASP A 78 -15.001 4.593 -7.069 1.00 0.00 N ATOM 1250 CA ASP A 78 -14.404 5.909 -7.274 1.00 0.00 C ATOM 1251 C ASP A 78 -13.849 6.478 -5.974 1.00 0.00 C ATOM 1252 O ASP A 78 -14.198 6.025 -4.884 1.00 0.00 O ATOM 1253 CB ASP A 78 -15.436 6.872 -7.863 1.00 0.00 C ATOM 1254 CG ASP A 78 -16.032 6.359 -9.159 1.00 0.00 C ATOM 1255 OD1 ASP A 78 -15.415 6.578 -10.223 1.00 0.00 O ATOM 1256 OD2 ASP A 78 -17.114 5.738 -9.111 1.00 0.00 O ATOM 0 H ASP A 78 -15.547 4.501 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.577 5.792 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.234 7.033 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.966 7.840 -8.040 1.00 0.00 H new ATOM 1261 N VAL A 79 -12.981 7.478 -6.102 1.00 0.00 N ATOM 1262 CA VAL A 79 -12.374 8.117 -4.950 1.00 0.00 C ATOM 1263 C VAL A 79 -13.425 8.802 -4.087 1.00 0.00 C ATOM 1264 O VAL A 79 -13.343 8.785 -2.859 1.00 0.00 O ATOM 1265 CB VAL A 79 -11.312 9.145 -5.378 1.00 0.00 C ATOM 1266 CG1 VAL A 79 -9.993 8.453 -5.682 1.00 0.00 C ATOM 1267 CG2 VAL A 79 -11.787 9.958 -6.576 1.00 0.00 C ATOM 0 H VAL A 79 -12.684 7.861 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.890 7.334 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.155 9.835 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.254 9.195 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.642 7.932 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.136 7.735 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.017 10.676 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.983 9.290 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.702 10.490 -6.315 1.00 0.00 H new ATOM 1277 N ALA A 80 -14.417 9.398 -4.734 1.00 0.00 N ATOM 1278 CA ALA A 80 -15.487 10.076 -4.019 1.00 0.00 C ATOM 1279 C ALA A 80 -16.272 9.078 -3.180 1.00 0.00 C ATOM 1280 O ALA A 80 -16.551 9.318 -2.006 1.00 0.00 O ATOM 1281 CB ALA A 80 -16.407 10.797 -4.993 1.00 0.00 C ATOM 0 H ALA A 80 -14.502 9.425 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 80 -15.046 10.818 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.201 11.298 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.835 11.535 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.845 10.075 -5.682 1.00 0.00 H new ATOM 1287 N ALA A 81 -16.615 7.948 -3.792 1.00 0.00 N ATOM 1288 CA ALA A 81 -17.356 6.902 -3.101 1.00 0.00 C ATOM 1289 C ALA A 81 -16.642 6.506 -1.813 1.00 0.00 C ATOM 1290 O ALA A 81 -17.161 6.711 -0.716 1.00 0.00 O ATOM 1291 CB ALA A 81 -17.535 5.692 -4.008 1.00 0.00 C ATOM 0 H ALA A 81 -16.391 7.735 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 81 -18.342 7.288 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -18.091 4.919 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -18.085 5.986 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.557 5.304 -4.295 1.00 0.00 H new ATOM 1297 N VAL A 82 -15.445 5.944 -1.955 1.00 0.00 N ATOM 1298 CA VAL A 82 -14.652 5.526 -0.809 1.00 0.00 C ATOM 1299 C VAL A 82 -14.477 6.675 0.186 1.00 0.00 C ATOM 1300 O VAL A 82 -14.379 6.459 1.393 1.00 0.00 O ATOM 1301 CB VAL A 82 -13.266 5.009 -1.262 1.00 0.00 C ATOM 1302 CG1 VAL A 82 -12.340 6.163 -1.606 1.00 0.00 C ATOM 1303 CG2 VAL A 82 -12.638 4.122 -0.200 1.00 0.00 C ATOM 0 H VAL A 82 -15.004 5.768 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 82 -15.187 4.716 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.415 4.410 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.373 5.772 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.775 6.750 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.207 6.796 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.665 3.773 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.513 4.691 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.285 3.265 -0.013 1.00 0.00 H new ATOM 1313 N PHE A 83 -14.441 7.901 -0.326 1.00 0.00 N ATOM 1314 CA PHE A 83 -14.279 9.069 0.530 1.00 0.00 C ATOM 1315 C PHE A 83 -15.435 9.181 1.515 1.00 0.00 C ATOM 1316 O PHE A 83 -15.225 9.422 2.704 1.00 0.00 O ATOM 1317 CB PHE A 83 -14.173 10.343 -0.312 1.00 0.00 C ATOM 1318 CG PHE A 83 -12.760 10.805 -0.527 1.00 0.00 C ATOM 1319 CD1 PHE A 83 -11.884 10.916 0.541 1.00 0.00 C ATOM 1320 CD2 PHE A 83 -12.308 11.127 -1.797 1.00 0.00 C ATOM 1321 CE1 PHE A 83 -10.584 11.341 0.347 1.00 0.00 C ATOM 1322 CE2 PHE A 83 -11.009 11.552 -1.997 1.00 0.00 C ATOM 1323 CZ PHE A 83 -10.145 11.659 -0.924 1.00 0.00 C ATOM 0 H PHE A 83 -14.521 8.110 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.355 8.949 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -14.641 10.168 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -14.737 11.139 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -12.221 10.667 1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.979 11.045 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.911 11.425 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -10.669 11.801 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.129 11.990 -1.078 1.00 0.00 H new ATOM 1333 N ALA A 84 -16.655 8.990 1.023 1.00 0.00 N ATOM 1334 CA ALA A 84 -17.829 9.056 1.883 1.00 0.00 C ATOM 1335 C ALA A 84 -17.725 8.003 2.973 1.00 0.00 C ATOM 1336 O ALA A 84 -18.059 8.251 4.131 1.00 0.00 O ATOM 1337 CB ALA A 84 -19.103 8.871 1.073 1.00 0.00 C ATOM 0 H ALA A 84 -16.855 8.790 0.043 1.00 0.00 H new ATOM 0 HA ALA A 84 -17.871 10.041 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -19.967 8.924 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -19.174 9.657 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -19.083 7.899 0.580 1.00 0.00 H new ATOM 1343 N TYR A 85 -17.224 6.832 2.593 1.00 0.00 N ATOM 1344 CA TYR A 85 -17.038 5.754 3.546 1.00 0.00 C ATOM 1345 C TYR A 85 -16.064 6.223 4.622 1.00 0.00 C ATOM 1346 O TYR A 85 -16.412 6.286 5.800 1.00 0.00 O ATOM 1347 CB TYR A 85 -16.550 4.477 2.837 1.00 0.00 C ATOM 1348 CG TYR A 85 -15.196 3.967 3.289 1.00 0.00 C ATOM 1349 CD1 TYR A 85 -15.011 3.457 4.568 1.00 0.00 C ATOM 1350 CD2 TYR A 85 -14.107 3.999 2.432 1.00 0.00 C ATOM 1351 CE1 TYR A 85 -13.774 2.995 4.978 1.00 0.00 C ATOM 1352 CE2 TYR A 85 -12.869 3.538 2.834 1.00 0.00 C ATOM 1353 CZ TYR A 85 -12.707 3.038 4.106 1.00 0.00 C ATOM 1354 OH TYR A 85 -11.474 2.582 4.506 1.00 0.00 O ATOM 0 H TYR A 85 -16.943 6.610 1.638 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.987 5.500 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.288 3.690 2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.509 4.669 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -15.846 3.421 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -14.229 4.391 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.644 2.603 5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.031 3.570 2.153 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.793 3.256 4.300 1.00 0.00 H new ATOM 1364 N ALA A 86 -14.837 6.548 4.208 1.00 0.00 N ATOM 1365 CA ALA A 86 -13.811 7.011 5.138 1.00 0.00 C ATOM 1366 C ALA A 86 -14.377 8.014 6.136 1.00 0.00 C ATOM 1367 O ALA A 86 -13.987 8.025 7.304 1.00 0.00 O ATOM 1368 CB ALA A 86 -12.642 7.617 4.377 1.00 0.00 C ATOM 0 H ALA A 86 -14.533 6.498 3.236 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.455 6.148 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.885 7.958 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.209 6.866 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.992 8.463 3.785 1.00 0.00 H new ATOM 1374 N LYS A 87 -15.315 8.840 5.683 1.00 0.00 N ATOM 1375 CA LYS A 87 -15.940 9.816 6.562 1.00 0.00 C ATOM 1376 C LYS A 87 -16.794 9.090 7.594 1.00 0.00 C ATOM 1377 O LYS A 87 -16.742 9.383 8.788 1.00 0.00 O ATOM 1378 CB LYS A 87 -16.799 10.791 5.752 1.00 0.00 C ATOM 1379 CG LYS A 87 -16.645 12.240 6.183 1.00 0.00 C ATOM 1380 CD LYS A 87 -15.646 12.976 5.306 1.00 0.00 C ATOM 1381 CE LYS A 87 -16.328 13.643 4.122 1.00 0.00 C ATOM 1382 NZ LYS A 87 -15.374 13.914 3.012 1.00 0.00 N ATOM 0 H LYS A 87 -15.655 8.852 4.721 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.165 10.388 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.536 10.704 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.846 10.503 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.612 12.740 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.318 12.279 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.126 13.728 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.892 12.276 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.134 13.004 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.784 14.579 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.878 14.369 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.619 14.544 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.958 13.019 2.686 1.00 0.00 H new ATOM 1396 N GLN A 88 -17.580 8.138 7.106 1.00 0.00 N ATOM 1397 CA GLN A 88 -18.458 7.347 7.959 1.00 0.00 C ATOM 1398 C GLN A 88 -17.657 6.563 8.996 1.00 0.00 C ATOM 1399 O GLN A 88 -18.198 6.138 10.017 1.00 0.00 O ATOM 1400 CB GLN A 88 -19.295 6.386 7.112 1.00 0.00 C ATOM 1401 CG GLN A 88 -20.649 6.059 7.720 1.00 0.00 C ATOM 1402 CD GLN A 88 -21.690 5.713 6.674 1.00 0.00 C ATOM 1403 OE1 GLN A 88 -22.218 4.602 6.650 1.00 0.00 O ATOM 1404 NE2 GLN A 88 -21.990 6.668 5.800 1.00 0.00 N ATOM 0 H GLN A 88 -17.627 7.894 6.117 1.00 0.00 H new ATOM 0 HA GLN A 88 -19.122 8.033 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -19.446 6.822 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -18.737 5.460 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -20.541 5.222 8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -20.996 6.911 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -21.527 7.575 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -22.683 6.494 5.072 1.00 0.00 H new ATOM 1413 N HIS A 89 -16.367 6.373 8.728 1.00 0.00 N ATOM 1414 CA HIS A 89 -15.499 5.638 9.640 1.00 0.00 C ATOM 1415 C HIS A 89 -14.472 6.563 10.293 1.00 0.00 C ATOM 1416 O HIS A 89 -13.291 6.537 9.945 1.00 0.00 O ATOM 1417 CB HIS A 89 -14.784 4.514 8.890 1.00 0.00 C ATOM 1418 CG HIS A 89 -15.533 3.219 8.894 1.00 0.00 C ATOM 1419 ND1 HIS A 89 -16.173 2.721 10.010 1.00 0.00 N ATOM 1420 CD2 HIS A 89 -15.745 2.316 7.908 1.00 0.00 C ATOM 1421 CE1 HIS A 89 -16.744 1.568 9.710 1.00 0.00 C ATOM 1422 NE2 HIS A 89 -16.500 1.300 8.441 1.00 0.00 N ATOM 0 H HIS A 89 -15.902 6.718 7.888 1.00 0.00 H new ATOM 0 HA HIS A 89 -16.121 5.211 10.427 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -14.619 4.825 7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.802 4.358 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -15.387 2.382 6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -17.314 0.950 10.388 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -16.820 0.473 7.938 1.00 0.00 H new ATOM 1431 N PRO A 90 -14.909 7.393 11.257 1.00 0.00 N ATOM 1432 CA PRO A 90 -14.022 8.324 11.961 1.00 0.00 C ATOM 1433 C PRO A 90 -13.181 7.633 13.034 1.00 0.00 C ATOM 1434 O PRO A 90 -12.350 8.266 13.686 1.00 0.00 O ATOM 1435 CB PRO A 90 -15.000 9.305 12.603 1.00 0.00 C ATOM 1436 CG PRO A 90 -16.222 8.494 12.860 1.00 0.00 C ATOM 1437 CD PRO A 90 -16.302 7.490 11.739 1.00 0.00 C ATOM 0 HA PRO A 90 -13.297 8.787 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.597 9.721 13.527 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.212 10.145 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.162 7.994 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.111 9.125 12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.673 6.527 12.090 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.977 7.823 10.950 1.00 0.00 H new ATOM 1445 N ASP A 91 -13.403 6.334 13.215 1.00 0.00 N ATOM 1446 CA ASP A 91 -12.668 5.564 14.213 1.00 0.00 C ATOM 1447 C ASP A 91 -11.505 4.795 13.585 1.00 0.00 C ATOM 1448 O ASP A 91 -10.844 4.003 14.257 1.00 0.00 O ATOM 1449 CB ASP A 91 -13.608 4.589 14.921 1.00 0.00 C ATOM 1450 CG ASP A 91 -14.287 5.211 16.126 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -14.742 6.369 16.018 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -14.364 4.540 17.176 1.00 0.00 O ATOM 0 H ASP A 91 -14.086 5.793 12.684 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.257 6.267 14.937 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.366 4.245 14.218 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.045 3.711 15.238 1.00 0.00 H new ATOM 1457 N GLN A 92 -11.257 5.027 12.299 1.00 0.00 N ATOM 1458 CA GLN A 92 -10.172 4.346 11.601 1.00 0.00 C ATOM 1459 C GLN A 92 -9.413 5.307 10.691 1.00 0.00 C ATOM 1460 O GLN A 92 -9.812 6.457 10.512 1.00 0.00 O ATOM 1461 CB GLN A 92 -10.720 3.176 10.782 1.00 0.00 C ATOM 1462 CG GLN A 92 -11.358 2.087 11.629 1.00 0.00 C ATOM 1463 CD GLN A 92 -12.829 1.889 11.317 1.00 0.00 C ATOM 1464 OE1 GLN A 92 -13.219 0.643 11.071 1.00 0.00 O flip ATOM 1465 NE2 GLN A 92 -13.605 2.844 11.296 1.00 0.00 N flip ATOM 0 H GLN A 92 -11.790 5.678 11.722 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.478 3.965 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.458 3.553 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.909 2.742 10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.827 1.149 11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.245 2.340 12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.262 3.784 11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.591 2.695 11.083 1.00 0.00 H new ATOM 1474 N GLU A 93 -8.314 4.823 10.120 1.00 0.00 N ATOM 1475 CA GLU A 93 -7.490 5.632 9.227 1.00 0.00 C ATOM 1476 C GLU A 93 -7.471 5.040 7.821 1.00 0.00 C ATOM 1477 O GLU A 93 -7.801 3.871 7.625 1.00 0.00 O ATOM 1478 CB GLU A 93 -6.063 5.735 9.769 1.00 0.00 C ATOM 1479 CG GLU A 93 -5.233 6.814 9.092 1.00 0.00 C ATOM 1480 CD GLU A 93 -3.881 7.007 9.749 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -3.223 5.992 10.063 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -3.479 8.172 9.949 1.00 0.00 O ATOM 0 H GLU A 93 -7.973 3.872 10.260 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.924 6.630 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.103 5.937 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.565 4.773 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.089 6.553 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.781 7.756 9.113 1.00 0.00 H new ATOM 1489 N LEU A 94 -7.083 5.853 6.845 1.00 0.00 N ATOM 1490 CA LEU A 94 -7.025 5.406 5.458 1.00 0.00 C ATOM 1491 C LEU A 94 -5.593 5.070 5.056 1.00 0.00 C ATOM 1492 O LEU A 94 -4.693 5.902 5.168 1.00 0.00 O ATOM 1493 CB LEU A 94 -7.589 6.484 4.529 1.00 0.00 C ATOM 1494 CG LEU A 94 -9.021 6.242 4.050 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -9.985 6.253 5.227 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -9.421 7.287 3.018 1.00 0.00 C ATOM 0 H LEU A 94 -6.804 6.824 6.988 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.631 4.504 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.552 7.443 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.940 6.567 3.657 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.067 5.260 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.999 6.079 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.709 5.467 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.938 7.220 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.443 7.100 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.360 8.280 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.747 7.230 2.163 1.00 0.00 H new ATOM 1508 N VAL A 95 -5.389 3.842 4.588 1.00 0.00 N ATOM 1509 CA VAL A 95 -4.067 3.393 4.171 1.00 0.00 C ATOM 1510 C VAL A 95 -4.137 2.602 2.869 1.00 0.00 C ATOM 1511 O VAL A 95 -4.958 1.697 2.725 1.00 0.00 O ATOM 1512 CB VAL A 95 -3.404 2.519 5.253 1.00 0.00 C ATOM 1513 CG1 VAL A 95 -1.956 2.226 4.891 1.00 0.00 C ATOM 1514 CG2 VAL A 95 -3.496 3.193 6.614 1.00 0.00 C ATOM 0 H VAL A 95 -6.123 3.141 4.489 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.465 4.288 4.016 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.939 1.571 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.505 1.608 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.919 1.697 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.405 3.163 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.023 2.561 7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.988 4.157 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.543 3.345 6.875 1.00 0.00 H new ATOM 1524 N ILE A 96 -3.266 2.947 1.926 1.00 0.00 N ATOM 1525 CA ILE A 96 -3.226 2.267 0.636 1.00 0.00 C ATOM 1526 C ILE A 96 -2.126 1.210 0.613 1.00 0.00 C ATOM 1527 O ILE A 96 -0.982 1.484 0.975 1.00 0.00 O ATOM 1528 CB ILE A 96 -2.994 3.260 -0.518 1.00 0.00 C ATOM 1529 CG1 ILE A 96 -3.944 4.452 -0.394 1.00 0.00 C ATOM 1530 CG2 ILE A 96 -3.177 2.566 -1.859 1.00 0.00 C ATOM 1531 CD1 ILE A 96 -5.406 4.060 -0.364 1.00 0.00 C ATOM 0 H ILE A 96 -2.579 3.693 2.031 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.195 1.787 0.498 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.970 3.629 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.705 5.003 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.775 5.129 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.010 3.281 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.462 1.748 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.191 2.171 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.021 4.955 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.661 3.535 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.590 3.407 0.489 1.00 0.00 H new ATOM 1543 N ALA A 97 -2.482 0.000 0.192 1.00 0.00 N ATOM 1544 CA ALA A 97 -1.523 -1.098 0.130 1.00 0.00 C ATOM 1545 C ALA A 97 -1.252 -1.528 -1.310 1.00 0.00 C ATOM 1546 O ALA A 97 -0.221 -2.135 -1.598 1.00 0.00 O ATOM 1547 CB ALA A 97 -2.025 -2.278 0.947 1.00 0.00 C ATOM 0 H ALA A 97 -3.425 -0.245 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.582 -0.744 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.302 -3.092 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.153 -1.973 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.981 -2.616 0.548 1.00 0.00 H new ATOM 1553 N GLY A 98 -2.181 -1.218 -2.210 1.00 0.00 N ATOM 1554 CA GLY A 98 -2.010 -1.591 -3.603 1.00 0.00 C ATOM 1555 C GLY A 98 -3.307 -1.516 -4.391 1.00 0.00 C ATOM 1556 O GLY A 98 -4.364 -1.254 -3.817 1.00 0.00 O ATOM 0 H GLY A 98 -3.045 -0.718 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.271 -0.935 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.614 -2.605 -3.658 1.00 0.00 H new ATOM 1560 N GLY A 99 -3.228 -1.654 -5.721 1.00 0.00 N ATOM 1561 CA GLY A 99 -1.954 -1.870 -6.393 1.00 0.00 C ATOM 1562 C GLY A 99 -1.362 -0.589 -6.950 1.00 0.00 C ATOM 1563 O GLY A 99 -1.611 0.498 -6.428 1.00 0.00 O ATOM 0 H GLY A 99 -4.033 -1.619 -6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.249 -2.316 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.092 -2.585 -7.204 1.00 0.00 H new ATOM 1567 N ALA A 100 -0.571 -0.721 -8.010 1.00 0.00 N ATOM 1568 CA ALA A 100 0.070 0.427 -8.641 1.00 0.00 C ATOM 1569 C ALA A 100 -0.953 1.450 -9.127 1.00 0.00 C ATOM 1570 O ALA A 100 -0.800 2.649 -8.896 1.00 0.00 O ATOM 1571 CB ALA A 100 0.946 -0.032 -9.797 1.00 0.00 C ATOM 0 H ALA A 100 -0.358 -1.616 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 100 0.691 0.914 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.419 0.833 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.714 -0.710 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.333 -0.549 -10.535 1.00 0.00 H new ATOM 1577 N GLN A 101 -1.992 0.974 -9.807 1.00 0.00 N ATOM 1578 CA GLN A 101 -3.029 1.858 -10.328 1.00 0.00 C ATOM 1579 C GLN A 101 -3.740 2.591 -9.195 1.00 0.00 C ATOM 1580 O GLN A 101 -4.164 3.737 -9.353 1.00 0.00 O ATOM 1581 CB GLN A 101 -4.039 1.063 -11.157 1.00 0.00 C ATOM 1582 CG GLN A 101 -4.236 1.609 -12.561 1.00 0.00 C ATOM 1583 CD GLN A 101 -4.935 2.954 -12.571 1.00 0.00 C ATOM 1584 OE1 GLN A 101 -6.224 2.954 -12.253 1.00 0.00 O flip ATOM 1585 NE2 GLN A 101 -4.323 3.983 -12.860 1.00 0.00 N flip ATOM 0 H GLN A 101 -2.138 -0.015 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 101 -2.552 2.599 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.708 0.027 -11.222 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.998 1.059 -10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -3.266 1.704 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -4.818 0.897 -13.145 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.332 3.937 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -4.807 4.881 -12.861 1.00 0.00 H new ATOM 1594 N ILE A 102 -3.864 1.926 -8.052 1.00 0.00 N ATOM 1595 CA ILE A 102 -4.520 2.521 -6.897 1.00 0.00 C ATOM 1596 C ILE A 102 -3.660 3.624 -6.297 1.00 0.00 C ATOM 1597 O ILE A 102 -4.154 4.703 -5.969 1.00 0.00 O ATOM 1598 CB ILE A 102 -4.820 1.471 -5.812 1.00 0.00 C ATOM 1599 CG1 ILE A 102 -5.480 0.239 -6.428 1.00 0.00 C ATOM 1600 CG2 ILE A 102 -5.710 2.068 -4.735 1.00 0.00 C ATOM 1601 CD1 ILE A 102 -6.830 0.524 -7.049 1.00 0.00 C ATOM 0 H ILE A 102 -3.520 0.978 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.463 2.941 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.879 1.164 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.819 -0.175 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.597 -0.524 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.915 1.315 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.206 2.919 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.648 2.398 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.240 -0.396 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.507 0.910 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.717 1.264 -7.842 1.00 0.00 H new ATOM 1613 N PHE A 103 -2.367 3.348 -6.164 1.00 0.00 N ATOM 1614 CA PHE A 103 -1.433 4.320 -5.612 1.00 0.00 C ATOM 1615 C PHE A 103 -1.474 5.617 -6.414 1.00 0.00 C ATOM 1616 O PHE A 103 -1.198 6.693 -5.886 1.00 0.00 O ATOM 1617 CB PHE A 103 -0.012 3.753 -5.614 1.00 0.00 C ATOM 1618 CG PHE A 103 0.200 2.650 -4.615 1.00 0.00 C ATOM 1619 CD1 PHE A 103 -0.295 2.760 -3.326 1.00 0.00 C ATOM 1620 CD2 PHE A 103 0.896 1.504 -4.967 1.00 0.00 C ATOM 1621 CE1 PHE A 103 -0.100 1.748 -2.405 1.00 0.00 C ATOM 1622 CE2 PHE A 103 1.094 0.489 -4.051 1.00 0.00 C ATOM 1623 CZ PHE A 103 0.595 0.611 -2.769 1.00 0.00 C ATOM 0 H PHE A 103 -1.943 2.460 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.729 4.533 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.218 3.377 -6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.692 4.559 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.840 3.647 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.288 1.404 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.490 1.846 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.638 -0.399 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.748 -0.182 -2.052 1.00 0.00 H new ATOM 1633 N THR A 104 -1.820 5.502 -7.694 1.00 0.00 N ATOM 1634 CA THR A 104 -1.897 6.659 -8.578 1.00 0.00 C ATOM 1635 C THR A 104 -3.087 7.548 -8.225 1.00 0.00 C ATOM 1636 O THR A 104 -2.941 8.760 -8.075 1.00 0.00 O ATOM 1637 CB THR A 104 -2.003 6.208 -10.035 1.00 0.00 C ATOM 1638 OG1 THR A 104 -0.891 5.406 -10.393 1.00 0.00 O ATOM 1639 CG2 THR A 104 -2.074 7.359 -11.017 1.00 0.00 C ATOM 0 H THR A 104 -2.052 4.615 -8.142 1.00 0.00 H new ATOM 0 HA THR A 104 -0.984 7.240 -8.446 1.00 0.00 H new ATOM 0 HB THR A 104 -2.934 5.644 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.158 4.463 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.148 6.968 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.950 7.970 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.175 7.969 -10.928 1.00 0.00 H new ATOM 1647 N ALA A 105 -4.266 6.945 -8.104 1.00 0.00 N ATOM 1648 CA ALA A 105 -5.472 7.701 -7.780 1.00 0.00 C ATOM 1649 C ALA A 105 -5.292 8.508 -6.505 1.00 0.00 C ATOM 1650 O ALA A 105 -5.418 9.733 -6.519 1.00 0.00 O ATOM 1651 CB ALA A 105 -6.666 6.767 -7.655 1.00 0.00 C ATOM 0 H ALA A 105 -4.412 5.943 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.658 8.401 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.557 7.346 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.819 6.243 -8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.479 6.041 -6.863 1.00 0.00 H new ATOM 1657 N PHE A 106 -4.999 7.833 -5.402 1.00 0.00 N ATOM 1658 CA PHE A 106 -4.809 8.512 -4.133 1.00 0.00 C ATOM 1659 C PHE A 106 -3.503 9.305 -4.121 1.00 0.00 C ATOM 1660 O PHE A 106 -3.292 10.138 -3.246 1.00 0.00 O ATOM 1661 CB PHE A 106 -4.832 7.500 -2.986 1.00 0.00 C ATOM 1662 CG PHE A 106 -6.175 6.850 -2.794 1.00 0.00 C ATOM 1663 CD1 PHE A 106 -6.588 5.821 -3.627 1.00 0.00 C ATOM 1664 CD2 PHE A 106 -7.026 7.272 -1.785 1.00 0.00 C ATOM 1665 CE1 PHE A 106 -7.824 5.225 -3.456 1.00 0.00 C ATOM 1666 CE2 PHE A 106 -8.264 6.680 -1.610 1.00 0.00 C ATOM 1667 CZ PHE A 106 -8.662 5.655 -2.446 1.00 0.00 C ATOM 0 H PHE A 106 -4.889 6.820 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.629 9.218 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.086 6.728 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.543 8.001 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -5.937 5.481 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.719 8.072 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.134 4.424 -4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.919 7.019 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.627 5.190 -2.310 1.00 0.00 H new ATOM 1677 N LYS A 107 -2.628 9.048 -5.097 1.00 0.00 N ATOM 1678 CA LYS A 107 -1.349 9.756 -5.183 1.00 0.00 C ATOM 1679 C LYS A 107 -1.547 11.253 -4.951 1.00 0.00 C ATOM 1680 O LYS A 107 -0.717 11.915 -4.328 1.00 0.00 O ATOM 1681 CB LYS A 107 -0.690 9.512 -6.550 1.00 0.00 C ATOM 1682 CG LYS A 107 -0.990 10.583 -7.592 1.00 0.00 C ATOM 1683 CD LYS A 107 -0.547 10.153 -8.981 1.00 0.00 C ATOM 1684 CE LYS A 107 -1.420 10.772 -10.062 1.00 0.00 C ATOM 1685 NZ LYS A 107 -0.616 11.262 -11.216 1.00 0.00 N ATOM 0 H LYS A 107 -2.781 8.360 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.691 9.369 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.389 9.447 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.021 8.547 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.059 10.794 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.484 11.509 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.491 10.445 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.588 9.066 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.143 10.034 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.989 11.600 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.249 11.676 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.056 11.985 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.093 10.468 -11.637 1.00 0.00 H new ATOM 1699 N ASP A 108 -2.666 11.769 -5.447 1.00 0.00 N ATOM 1700 CA ASP A 108 -3.000 13.177 -5.289 1.00 0.00 C ATOM 1701 C ASP A 108 -3.755 13.401 -3.984 1.00 0.00 C ATOM 1702 O ASP A 108 -3.567 14.414 -3.310 1.00 0.00 O ATOM 1703 CB ASP A 108 -3.841 13.660 -6.472 1.00 0.00 C ATOM 1704 CG ASP A 108 -2.993 14.019 -7.676 1.00 0.00 C ATOM 1705 OD1 ASP A 108 -2.123 14.906 -7.547 1.00 0.00 O ATOM 1706 OD2 ASP A 108 -3.198 13.413 -8.749 1.00 0.00 O ATOM 0 H ASP A 108 -3.360 11.229 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.073 13.750 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.552 12.882 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.423 14.530 -6.169 1.00 0.00 H new ATOM 1711 N ASP A 109 -4.618 12.448 -3.641 1.00 0.00 N ATOM 1712 CA ASP A 109 -5.416 12.538 -2.418 1.00 0.00 C ATOM 1713 C ASP A 109 -4.664 11.989 -1.202 1.00 0.00 C ATOM 1714 O ASP A 109 -5.242 11.845 -0.124 1.00 0.00 O ATOM 1715 CB ASP A 109 -6.734 11.783 -2.596 1.00 0.00 C ATOM 1716 CG ASP A 109 -7.847 12.674 -3.110 1.00 0.00 C ATOM 1717 OD1 ASP A 109 -7.947 13.828 -2.643 1.00 0.00 O ATOM 1718 OD2 ASP A 109 -8.618 12.219 -3.981 1.00 0.00 O ATOM 0 H ASP A 109 -4.784 11.605 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.618 13.593 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.585 10.956 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.032 11.348 -1.642 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.384 11.672 -1.376 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.575 11.128 -0.289 1.00 0.00 C ATOM 1725 C VAL A 110 -1.956 12.235 0.560 1.00 0.00 C ATOM 1726 O VAL A 110 -1.824 13.375 0.113 1.00 0.00 O ATOM 1727 CB VAL A 110 -1.455 10.217 -0.831 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -0.496 11.006 -1.711 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -0.710 9.543 0.314 1.00 0.00 C ATOM 0 H VAL A 110 -2.885 11.782 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.246 10.539 0.337 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.913 9.440 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.286 10.343 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.041 11.431 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.045 11.809 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.076 8.905 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.266 10.303 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.406 8.938 0.895 1.00 0.00 H new ATOM 1739 N ASP A 111 -1.578 11.888 1.788 1.00 0.00 N ATOM 1740 CA ASP A 111 -0.972 12.850 2.704 1.00 0.00 C ATOM 1741 C ASP A 111 0.334 12.311 3.289 1.00 0.00 C ATOM 1742 O ASP A 111 1.300 13.055 3.457 1.00 0.00 O ATOM 1743 CB ASP A 111 -1.949 13.195 3.831 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.274 14.676 3.880 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -2.502 15.269 2.805 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -2.300 15.241 4.994 1.00 0.00 O ATOM 0 H ASP A 111 -1.681 10.948 2.171 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.743 13.754 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.870 12.628 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.522 12.888 4.786 1.00 0.00 H new ATOM 1751 N THR A 112 0.358 11.016 3.597 1.00 0.00 N ATOM 1752 CA THR A 112 1.550 10.388 4.162 1.00 0.00 C ATOM 1753 C THR A 112 2.116 9.341 3.210 1.00 0.00 C ATOM 1754 O THR A 112 1.408 8.827 2.343 1.00 0.00 O ATOM 1755 CB THR A 112 1.234 9.748 5.516 1.00 0.00 C ATOM 1756 OG1 THR A 112 0.716 10.710 6.417 1.00 0.00 O ATOM 1757 CG2 THR A 112 2.441 9.106 6.173 1.00 0.00 C ATOM 0 H THR A 112 -0.431 10.383 3.465 1.00 0.00 H new ATOM 0 HA THR A 112 2.300 11.166 4.308 1.00 0.00 H new ATOM 0 HB THR A 112 0.500 8.971 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 112 0.519 10.281 7.276 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.147 8.672 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.835 8.323 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.210 9.861 6.339 1.00 0.00 H new ATOM 1765 N LEU A 113 3.398 9.029 3.375 1.00 0.00 N ATOM 1766 CA LEU A 113 4.059 8.047 2.530 1.00 0.00 C ATOM 1767 C LEU A 113 4.977 7.140 3.346 1.00 0.00 C ATOM 1768 O LEU A 113 5.995 7.583 3.878 1.00 0.00 O ATOM 1769 CB LEU A 113 4.865 8.760 1.447 1.00 0.00 C ATOM 1770 CG LEU A 113 4.750 8.176 0.040 1.00 0.00 C ATOM 1771 CD1 LEU A 113 3.291 7.993 -0.355 1.00 0.00 C ATOM 1772 CD2 LEU A 113 5.464 9.082 -0.947 1.00 0.00 C ATOM 0 H LEU A 113 3.998 9.444 4.088 1.00 0.00 H new ATOM 0 HA LEU A 113 3.293 7.424 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.550 9.803 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.915 8.753 1.738 1.00 0.00 H new ATOM 0 HG LEU A 113 5.222 7.194 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.236 7.576 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.807 7.314 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.785 8.958 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.381 8.664 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.008 10.072 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.516 9.161 -0.673 1.00 0.00 H new ATOM 1784 N LEU A 114 4.615 5.865 3.423 1.00 0.00 N ATOM 1785 CA LEU A 114 5.403 4.876 4.149 1.00 0.00 C ATOM 1786 C LEU A 114 5.889 3.804 3.182 1.00 0.00 C ATOM 1787 O LEU A 114 5.098 3.000 2.685 1.00 0.00 O ATOM 1788 CB LEU A 114 4.572 4.242 5.267 1.00 0.00 C ATOM 1789 CG LEU A 114 4.393 5.110 6.514 1.00 0.00 C ATOM 1790 CD1 LEU A 114 3.065 4.806 7.190 1.00 0.00 C ATOM 1791 CD2 LEU A 114 5.547 4.895 7.481 1.00 0.00 C ATOM 0 H LEU A 114 3.773 5.489 2.987 1.00 0.00 H new ATOM 0 HA LEU A 114 6.263 5.371 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.587 3.995 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.042 3.304 5.561 1.00 0.00 H new ATOM 0 HG LEU A 114 4.390 6.156 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.955 5.433 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.249 5.010 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.038 3.757 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.404 5.520 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.581 3.847 7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.485 5.163 6.994 1.00 0.00 H new ATOM 1803 N VAL A 115 7.184 3.809 2.889 1.00 0.00 N ATOM 1804 CA VAL A 115 7.740 2.847 1.946 1.00 0.00 C ATOM 1805 C VAL A 115 8.942 2.094 2.504 1.00 0.00 C ATOM 1806 O VAL A 115 9.733 2.635 3.277 1.00 0.00 O ATOM 1807 CB VAL A 115 8.163 3.544 0.640 1.00 0.00 C ATOM 1808 CG1 VAL A 115 6.969 4.216 -0.015 1.00 0.00 C ATOM 1809 CG2 VAL A 115 9.269 4.556 0.904 1.00 0.00 C ATOM 0 H VAL A 115 7.862 4.460 3.285 1.00 0.00 H new ATOM 0 HA VAL A 115 6.945 2.126 1.754 1.00 0.00 H new ATOM 0 HB VAL A 115 8.550 2.787 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.286 4.704 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.210 3.468 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.552 4.960 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.553 5.037 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.912 5.310 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.135 4.047 1.327 1.00 0.00 H new ATOM 1819 N THR A 116 9.079 0.846 2.070 1.00 0.00 N ATOM 1820 CA THR A 116 10.189 -0.003 2.477 1.00 0.00 C ATOM 1821 C THR A 116 11.065 -0.304 1.263 1.00 0.00 C ATOM 1822 O THR A 116 10.743 -1.175 0.456 1.00 0.00 O ATOM 1823 CB THR A 116 9.666 -1.306 3.091 1.00 0.00 C ATOM 1824 OG1 THR A 116 9.076 -1.064 4.355 1.00 0.00 O ATOM 1825 CG2 THR A 116 10.737 -2.360 3.280 1.00 0.00 C ATOM 0 H THR A 116 8.425 0.397 1.428 1.00 0.00 H new ATOM 0 HA THR A 116 10.782 0.516 3.230 1.00 0.00 H new ATOM 0 HB THR A 116 8.934 -1.683 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 116 9.494 -0.279 4.766 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.294 -3.254 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.177 -2.609 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.512 -1.976 3.943 1.00 0.00 H new ATOM 1833 N ARG A 117 12.160 0.436 1.127 1.00 0.00 N ATOM 1834 CA ARG A 117 13.061 0.259 -0.006 1.00 0.00 C ATOM 1835 C ARG A 117 14.076 -0.851 0.245 1.00 0.00 C ATOM 1836 O ARG A 117 15.023 -0.681 1.014 1.00 0.00 O ATOM 1837 CB ARG A 117 13.791 1.568 -0.308 1.00 0.00 C ATOM 1838 CG ARG A 117 13.038 2.478 -1.265 1.00 0.00 C ATOM 1839 CD ARG A 117 13.614 3.885 -1.264 1.00 0.00 C ATOM 1840 NE ARG A 117 14.612 4.069 -2.315 1.00 0.00 N ATOM 1841 CZ ARG A 117 14.311 4.312 -3.589 1.00 0.00 C ATOM 1842 NH1 ARG A 117 13.044 4.398 -3.975 1.00 0.00 N ATOM 1843 NH2 ARG A 117 15.280 4.468 -4.481 1.00 0.00 N ATOM 0 H ARG A 117 12.445 1.162 1.785 1.00 0.00 H new ATOM 0 HA ARG A 117 12.455 -0.029 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.965 2.101 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 117 14.769 1.340 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.084 2.066 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 117 11.986 2.514 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 117 12.808 4.607 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 117 14.067 4.091 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 117 15.597 4.008 -2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.294 4.278 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.820 4.584 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 117 16.256 4.402 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 117 15.050 4.654 -5.457 1.00 0.00 H new ATOM 1857 N LEU A 118 13.872 -1.986 -0.416 1.00 0.00 N ATOM 1858 CA LEU A 118 14.768 -3.127 -0.279 1.00 0.00 C ATOM 1859 C LEU A 118 16.113 -2.834 -0.938 1.00 0.00 C ATOM 1860 O LEU A 118 16.174 -2.184 -1.982 1.00 0.00 O ATOM 1861 CB LEU A 118 14.136 -4.372 -0.912 1.00 0.00 C ATOM 1862 CG LEU A 118 13.728 -5.467 0.074 1.00 0.00 C ATOM 1863 CD1 LEU A 118 12.580 -4.993 0.953 1.00 0.00 C ATOM 1864 CD2 LEU A 118 13.343 -6.735 -0.672 1.00 0.00 C ATOM 0 H LEU A 118 13.091 -2.139 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 118 14.933 -3.311 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.255 -4.066 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.841 -4.794 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 118 14.580 -5.690 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.303 -5.785 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.891 -4.111 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.723 -4.743 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.055 -7.505 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.505 -6.526 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.193 -7.084 -1.258 1.00 0.00 H new ATOM 1876 N ALA A 119 17.188 -3.317 -0.326 1.00 0.00 N ATOM 1877 CA ALA A 119 18.528 -3.105 -0.860 1.00 0.00 C ATOM 1878 C ALA A 119 18.746 -3.917 -2.131 1.00 0.00 C ATOM 1879 O ALA A 119 19.327 -3.429 -3.100 1.00 0.00 O ATOM 1880 CB ALA A 119 19.576 -3.466 0.180 1.00 0.00 C ATOM 0 H ALA A 119 17.158 -3.857 0.539 1.00 0.00 H new ATOM 0 HA ALA A 119 18.628 -2.049 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 119 20.571 -3.302 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 119 19.443 -2.841 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 119 19.467 -4.514 0.458 1.00 0.00 H new ATOM 1886 N GLY A 120 18.277 -5.160 -2.118 1.00 0.00 N ATOM 1887 CA GLY A 120 18.431 -6.022 -3.273 1.00 0.00 C ATOM 1888 C GLY A 120 17.810 -5.434 -4.525 1.00 0.00 C ATOM 1889 O GLY A 120 16.813 -4.715 -4.455 1.00 0.00 O ATOM 0 H GLY A 120 17.793 -5.585 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 120 19.492 -6.203 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 120 17.973 -6.989 -3.064 1.00 0.00 H new ATOM 1893 N SER A 121 18.402 -5.743 -5.673 1.00 0.00 N ATOM 1894 CA SER A 121 17.903 -5.244 -6.949 1.00 0.00 C ATOM 1895 C SER A 121 17.031 -6.292 -7.634 1.00 0.00 C ATOM 1896 O SER A 121 17.506 -7.368 -7.996 1.00 0.00 O ATOM 1897 CB SER A 121 19.068 -4.857 -7.861 1.00 0.00 C ATOM 1898 OG SER A 121 19.901 -3.892 -7.243 1.00 0.00 O ATOM 0 H SER A 121 19.228 -6.337 -5.746 1.00 0.00 H new ATOM 0 HA SER A 121 17.296 -4.360 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 121 19.653 -5.744 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 121 18.682 -4.461 -8.800 1.00 0.00 H new ATOM 0 HG SER A 121 20.639 -3.663 -7.846 1.00 0.00 H new ATOM 1904 N PHE A 122 15.753 -5.971 -7.804 1.00 0.00 N ATOM 1905 CA PHE A 122 14.813 -6.887 -8.440 1.00 0.00 C ATOM 1906 C PHE A 122 14.166 -6.247 -9.664 1.00 0.00 C ATOM 1907 O PHE A 122 14.213 -5.030 -9.841 1.00 0.00 O ATOM 1908 CB PHE A 122 13.734 -7.314 -7.444 1.00 0.00 C ATOM 1909 CG PHE A 122 14.285 -7.939 -6.194 1.00 0.00 C ATOM 1910 CD1 PHE A 122 14.714 -7.149 -5.140 1.00 0.00 C ATOM 1911 CD2 PHE A 122 14.375 -9.317 -6.074 1.00 0.00 C ATOM 1912 CE1 PHE A 122 15.222 -7.721 -3.989 1.00 0.00 C ATOM 1913 CE2 PHE A 122 14.883 -9.895 -4.926 1.00 0.00 C ATOM 1914 CZ PHE A 122 15.307 -9.096 -3.882 1.00 0.00 C ATOM 0 H PHE A 122 15.344 -5.084 -7.510 1.00 0.00 H new ATOM 0 HA PHE A 122 15.368 -7.766 -8.766 1.00 0.00 H new ATOM 0 HB2 PHE A 122 13.137 -6.444 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 122 13.063 -8.022 -7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 122 14.651 -6.074 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 122 14.044 -9.946 -6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 122 15.552 -7.094 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 122 14.948 -10.970 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 122 15.704 -9.545 -2.984 1.00 0.00 H new ATOM 1924 N GLU A 123 13.561 -7.079 -10.505 1.00 0.00 N ATOM 1925 CA GLU A 123 12.899 -6.601 -11.714 1.00 0.00 C ATOM 1926 C GLU A 123 11.661 -7.437 -12.020 1.00 0.00 C ATOM 1927 O GLU A 123 11.645 -8.646 -11.790 1.00 0.00 O ATOM 1928 CB GLU A 123 13.865 -6.642 -12.900 1.00 0.00 C ATOM 1929 CG GLU A 123 14.394 -8.033 -13.207 1.00 0.00 C ATOM 1930 CD GLU A 123 15.896 -8.053 -13.416 1.00 0.00 C ATOM 1931 OE1 GLU A 123 16.636 -7.923 -12.418 1.00 0.00 O ATOM 1932 OE2 GLU A 123 16.332 -8.198 -14.577 1.00 0.00 O ATOM 0 H GLU A 123 13.515 -8.089 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 123 12.587 -5.570 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.359 -6.252 -13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.706 -5.980 -12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.136 -8.705 -12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.901 -8.416 -14.101 1.00 0.00 H new ATOM 1939 N GLY A 124 10.626 -6.786 -12.540 1.00 0.00 N ATOM 1940 CA GLY A 124 9.398 -7.487 -12.867 1.00 0.00 C ATOM 1941 C GLY A 124 8.536 -6.719 -13.850 1.00 0.00 C ATOM 1942 O GLY A 124 8.992 -6.353 -14.933 1.00 0.00 O ATOM 0 H GLY A 124 10.615 -5.786 -12.741 1.00 0.00 H new ATOM 0 HA2 GLY A 124 9.641 -8.463 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.831 -7.666 -11.953 1.00 0.00 H new ATOM 1946 N ASP A 125 7.285 -6.475 -13.471 1.00 0.00 N ATOM 1947 CA ASP A 125 6.356 -5.747 -14.328 1.00 0.00 C ATOM 1948 C ASP A 125 5.419 -4.873 -13.501 1.00 0.00 C ATOM 1949 O ASP A 125 4.289 -4.600 -13.908 1.00 0.00 O ATOM 1950 CB ASP A 125 5.543 -6.724 -15.179 1.00 0.00 C ATOM 1951 CG ASP A 125 6.367 -7.354 -16.284 1.00 0.00 C ATOM 1952 OD1 ASP A 125 7.208 -8.224 -15.975 1.00 0.00 O ATOM 1953 OD2 ASP A 125 6.173 -6.976 -17.458 1.00 0.00 O ATOM 0 H ASP A 125 6.892 -6.770 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 125 6.939 -5.101 -14.984 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.138 -7.508 -14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.694 -6.200 -15.617 1.00 0.00 H new ATOM 1958 N THR A 126 5.892 -4.434 -12.339 1.00 0.00 N ATOM 1959 CA THR A 126 5.093 -3.588 -11.459 1.00 0.00 C ATOM 1960 C THR A 126 5.978 -2.622 -10.680 1.00 0.00 C ATOM 1961 O THR A 126 6.658 -3.014 -9.731 1.00 0.00 O ATOM 1962 CB THR A 126 4.281 -4.450 -10.490 1.00 0.00 C ATOM 1963 OG1 THR A 126 4.098 -5.754 -11.011 1.00 0.00 O ATOM 1964 CG2 THR A 126 2.912 -3.881 -10.188 1.00 0.00 C ATOM 0 H THR A 126 6.824 -4.650 -11.985 1.00 0.00 H new ATOM 0 HA THR A 126 4.410 -3.006 -12.078 1.00 0.00 H new ATOM 0 HB THR A 126 4.861 -4.471 -9.567 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.578 -6.290 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.389 -4.540 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 126 3.019 -2.894 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.340 -3.799 -11.112 1.00 0.00 H new ATOM 1972 N LYS A 127 5.962 -1.356 -11.087 1.00 0.00 N ATOM 1973 CA LYS A 127 6.762 -0.326 -10.430 1.00 0.00 C ATOM 1974 C LYS A 127 5.871 0.781 -9.875 1.00 0.00 C ATOM 1975 O LYS A 127 4.694 0.877 -10.221 1.00 0.00 O ATOM 1976 CB LYS A 127 7.779 0.261 -11.413 1.00 0.00 C ATOM 1977 CG LYS A 127 9.213 0.192 -10.917 1.00 0.00 C ATOM 1978 CD LYS A 127 10.189 -0.013 -12.064 1.00 0.00 C ATOM 1979 CE LYS A 127 11.424 -0.778 -11.615 1.00 0.00 C ATOM 1980 NZ LYS A 127 11.340 -2.222 -11.967 1.00 0.00 N ATOM 0 H LYS A 127 5.403 -1.018 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 127 7.296 -0.787 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.705 -0.272 -12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.522 1.301 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.461 1.112 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 127 9.313 -0.625 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 127 9.696 -0.557 -12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.486 0.955 -12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.309 -0.342 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.544 -0.673 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 11.896 -2.778 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.347 -2.530 -11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.718 -2.368 -12.925 1.00 0.00 H new ATOM 1994 N MET A 128 6.441 1.614 -9.009 1.00 0.00 N ATOM 1995 CA MET A 128 5.698 2.714 -8.404 1.00 0.00 C ATOM 1996 C MET A 128 5.296 3.749 -9.452 1.00 0.00 C ATOM 1997 O MET A 128 5.829 3.764 -10.562 1.00 0.00 O ATOM 1998 CB MET A 128 6.534 3.378 -7.307 1.00 0.00 C ATOM 1999 CG MET A 128 5.751 4.362 -6.453 1.00 0.00 C ATOM 2000 SD MET A 128 4.273 3.630 -5.722 1.00 0.00 S ATOM 2001 CE MET A 128 3.455 5.088 -5.080 1.00 0.00 C ATOM 0 H MET A 128 7.414 1.548 -8.711 1.00 0.00 H new ATOM 0 HA MET A 128 4.789 2.304 -7.963 1.00 0.00 H new ATOM 0 HB2 MET A 128 6.952 2.604 -6.663 1.00 0.00 H new ATOM 0 HB3 MET A 128 7.374 3.898 -7.767 1.00 0.00 H new ATOM 0 HG2 MET A 128 6.395 4.740 -5.659 1.00 0.00 H new ATOM 0 HG3 MET A 128 5.463 5.218 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.931 4.835 -4.158 1.00 0.00 H new ATOM 0 HE2 MET A 128 4.196 5.861 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.739 5.457 -5.815 1.00 0.00 H new ATOM 2011 N ILE A 129 4.351 4.611 -9.091 1.00 0.00 N ATOM 2012 CA ILE A 129 3.872 5.651 -9.996 1.00 0.00 C ATOM 2013 C ILE A 129 4.385 7.030 -9.578 1.00 0.00 C ATOM 2014 O ILE A 129 4.704 7.254 -8.410 1.00 0.00 O ATOM 2015 CB ILE A 129 2.330 5.675 -10.057 1.00 0.00 C ATOM 2016 CG1 ILE A 129 1.737 5.909 -8.666 1.00 0.00 C ATOM 2017 CG2 ILE A 129 1.804 4.376 -10.648 1.00 0.00 C ATOM 2018 CD1 ILE A 129 1.487 7.366 -8.355 1.00 0.00 C ATOM 0 H ILE A 129 3.900 4.610 -8.176 1.00 0.00 H new ATOM 0 HA ILE A 129 4.261 5.414 -10.986 1.00 0.00 H new ATOM 0 HB ILE A 129 2.024 6.499 -10.701 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.798 5.362 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.413 5.497 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.715 4.408 -10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 129 2.198 4.250 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 129 2.122 3.539 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.066 7.457 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 129 2.427 7.915 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.787 7.778 -9.082 1.00 0.00 H new ATOM 2030 N PRO A 130 4.477 7.975 -10.534 1.00 0.00 N ATOM 2031 CA PRO A 130 4.960 9.337 -10.269 1.00 0.00 C ATOM 2032 C PRO A 130 4.210 10.018 -9.127 1.00 0.00 C ATOM 2033 O PRO A 130 3.012 9.806 -8.944 1.00 0.00 O ATOM 2034 CB PRO A 130 4.714 10.081 -11.592 1.00 0.00 C ATOM 2035 CG PRO A 130 3.818 9.193 -12.391 1.00 0.00 C ATOM 2036 CD PRO A 130 4.124 7.793 -11.949 1.00 0.00 C ATOM 0 HA PRO A 130 6.004 9.334 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 130 4.249 11.051 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 130 5.651 10.267 -12.117 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.770 9.437 -12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 130 4.000 9.314 -13.459 1.00 0.00 H new ATOM 0 HD2 PRO A 130 3.266 7.132 -12.071 1.00 0.00 H new ATOM 0 HD3 PRO A 130 4.945 7.358 -12.519 1.00 0.00 H new ATOM 2044 N LEU A 131 4.926 10.841 -8.364 1.00 0.00 N ATOM 2045 CA LEU A 131 4.331 11.558 -7.238 1.00 0.00 C ATOM 2046 C LEU A 131 4.978 12.929 -7.060 1.00 0.00 C ATOM 2047 O LEU A 131 6.122 13.143 -7.461 1.00 0.00 O ATOM 2048 CB LEU A 131 4.482 10.756 -5.938 1.00 0.00 C ATOM 2049 CG LEU A 131 4.603 9.237 -6.096 1.00 0.00 C ATOM 2050 CD1 LEU A 131 5.505 8.660 -5.015 1.00 0.00 C ATOM 2051 CD2 LEU A 131 3.230 8.587 -6.047 1.00 0.00 C ATOM 0 H LEU A 131 5.919 11.028 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 131 3.272 11.689 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 131 5.365 11.118 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.623 10.968 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 131 5.050 9.025 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.580 7.580 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.497 9.104 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 131 5.085 8.882 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.334 7.508 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.757 8.807 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.613 8.979 -6.855 1.00 0.00 H new ATOM 2063 N ASN A 132 4.245 13.849 -6.437 1.00 0.00 N ATOM 2064 CA ASN A 132 4.758 15.192 -6.186 1.00 0.00 C ATOM 2065 C ASN A 132 5.687 15.173 -4.976 1.00 0.00 C ATOM 2066 O ASN A 132 5.306 15.574 -3.876 1.00 0.00 O ATOM 2067 CB ASN A 132 3.604 16.172 -5.957 1.00 0.00 C ATOM 2068 CG ASN A 132 3.751 17.438 -6.779 1.00 0.00 C ATOM 2069 OD1 ASN A 132 3.192 17.552 -7.870 1.00 0.00 O ATOM 2070 ND2 ASN A 132 4.508 18.397 -6.258 1.00 0.00 N ATOM 0 H ASN A 132 3.296 13.689 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 132 5.320 15.524 -7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 132 2.662 15.685 -6.209 1.00 0.00 H new ATOM 0 HB3 ASN A 132 3.556 16.432 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 132 4.645 19.271 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 132 4.952 18.259 -5.350 1.00 0.00 H new ATOM 2077 N TRP A 133 6.899 14.676 -5.188 1.00 0.00 N ATOM 2078 CA TRP A 133 7.887 14.567 -4.122 1.00 0.00 C ATOM 2079 C TRP A 133 8.164 15.908 -3.447 1.00 0.00 C ATOM 2080 O TRP A 133 8.330 15.966 -2.229 1.00 0.00 O ATOM 2081 CB TRP A 133 9.184 13.972 -4.671 1.00 0.00 C ATOM 2082 CG TRP A 133 9.013 12.573 -5.179 1.00 0.00 C ATOM 2083 CD1 TRP A 133 8.597 12.200 -6.425 1.00 0.00 C ATOM 2084 CD2 TRP A 133 9.241 11.361 -4.451 1.00 0.00 C ATOM 2085 NE1 TRP A 133 8.554 10.830 -6.517 1.00 0.00 N ATOM 2086 CE2 TRP A 133 8.946 10.292 -5.319 1.00 0.00 C ATOM 2087 CE3 TRP A 133 9.668 11.076 -3.151 1.00 0.00 C ATOM 2088 CZ2 TRP A 133 9.064 8.961 -4.927 1.00 0.00 C ATOM 2089 CZ3 TRP A 133 9.785 9.754 -2.764 1.00 0.00 C ATOM 2090 CH2 TRP A 133 9.484 8.711 -3.649 1.00 0.00 C ATOM 0 H TRP A 133 7.223 14.340 -6.095 1.00 0.00 H new ATOM 0 HA TRP A 133 7.474 13.905 -3.361 1.00 0.00 H new ATOM 0 HB2 TRP A 133 9.555 14.604 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.942 13.979 -3.887 1.00 0.00 H new ATOM 0 HD1 TRP A 133 8.339 12.882 -7.222 1.00 0.00 H new ATOM 0 HE1 TRP A 133 8.276 10.300 -7.343 1.00 0.00 H new ATOM 0 HE3 TRP A 133 9.902 11.874 -2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 8.832 8.155 -5.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 10.114 9.521 -1.762 1.00 0.00 H new ATOM 0 HH2 TRP A 133 9.585 7.689 -3.316 1.00 0.00 H new ATOM 2101 N ASP A 134 8.224 16.985 -4.226 1.00 0.00 N ATOM 2102 CA ASP A 134 8.492 18.308 -3.668 1.00 0.00 C ATOM 2103 C ASP A 134 7.472 18.679 -2.595 1.00 0.00 C ATOM 2104 O ASP A 134 7.826 19.233 -1.555 1.00 0.00 O ATOM 2105 CB ASP A 134 8.483 19.360 -4.778 1.00 0.00 C ATOM 2106 CG ASP A 134 9.270 20.601 -4.405 1.00 0.00 C ATOM 2107 OD1 ASP A 134 8.682 21.513 -3.786 1.00 0.00 O ATOM 2108 OD2 ASP A 134 10.474 20.661 -4.731 1.00 0.00 O ATOM 0 H ASP A 134 8.092 16.969 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 134 9.477 18.279 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 134 8.901 18.928 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 134 7.453 19.640 -5.001 1.00 0.00 H new ATOM 2113 N ASP A 135 6.203 18.386 -2.862 1.00 0.00 N ATOM 2114 CA ASP A 135 5.132 18.708 -1.923 1.00 0.00 C ATOM 2115 C ASP A 135 5.163 17.797 -0.695 1.00 0.00 C ATOM 2116 O ASP A 135 4.393 17.992 0.246 1.00 0.00 O ATOM 2117 CB ASP A 135 3.772 18.598 -2.617 1.00 0.00 C ATOM 2118 CG ASP A 135 2.864 19.769 -2.296 1.00 0.00 C ATOM 2119 OD1 ASP A 135 2.918 20.267 -1.153 1.00 0.00 O ATOM 2120 OD2 ASP A 135 2.097 20.188 -3.190 1.00 0.00 O ATOM 0 H ASP A 135 5.891 17.928 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 135 5.287 19.732 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 135 3.921 18.542 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 135 3.286 17.671 -2.313 1.00 0.00 H new ATOM 2125 N PHE A 136 6.055 16.810 -0.700 1.00 0.00 N ATOM 2126 CA PHE A 136 6.172 15.891 0.425 1.00 0.00 C ATOM 2127 C PHE A 136 7.597 15.874 0.970 1.00 0.00 C ATOM 2128 O PHE A 136 8.564 15.786 0.215 1.00 0.00 O ATOM 2129 CB PHE A 136 5.752 14.483 0.003 1.00 0.00 C ATOM 2130 CG PHE A 136 4.318 14.400 -0.432 1.00 0.00 C ATOM 2131 CD1 PHE A 136 3.297 14.746 0.438 1.00 0.00 C ATOM 2132 CD2 PHE A 136 3.992 13.980 -1.711 1.00 0.00 C ATOM 2133 CE1 PHE A 136 1.976 14.674 0.041 1.00 0.00 C ATOM 2134 CE2 PHE A 136 2.672 13.905 -2.114 1.00 0.00 C ATOM 2135 CZ PHE A 136 1.663 14.253 -1.237 1.00 0.00 C ATOM 0 H PHE A 136 6.703 16.628 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 136 5.508 16.237 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 136 6.393 14.149 -0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 136 5.913 13.798 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 136 3.537 15.076 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 136 4.777 13.708 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 136 1.189 14.946 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 136 2.430 13.575 -3.113 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.631 14.196 -1.550 1.00 0.00 H new ATOM 2145 N THR A 137 7.713 15.972 2.290 1.00 0.00 N ATOM 2146 CA THR A 137 9.015 15.982 2.945 1.00 0.00 C ATOM 2147 C THR A 137 9.199 14.748 3.823 1.00 0.00 C ATOM 2148 O THR A 137 8.239 14.225 4.389 1.00 0.00 O ATOM 2149 CB THR A 137 9.170 17.253 3.785 1.00 0.00 C ATOM 2150 OG1 THR A 137 9.233 18.398 2.953 1.00 0.00 O ATOM 2151 CG2 THR A 137 10.405 17.254 4.660 1.00 0.00 C ATOM 0 H THR A 137 6.920 16.046 2.927 1.00 0.00 H new ATOM 0 HA THR A 137 9.784 15.966 2.173 1.00 0.00 H new ATOM 0 HB THR A 137 8.292 17.277 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 137 9.330 19.200 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 137 10.449 18.185 5.226 1.00 0.00 H new ATOM 0 HG22 THR A 137 10.363 16.411 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 137 11.294 17.167 4.035 1.00 0.00 H new ATOM 2159 N LYS A 138 10.443 14.293 3.931 1.00 0.00 N ATOM 2160 CA LYS A 138 10.764 13.125 4.740 1.00 0.00 C ATOM 2161 C LYS A 138 10.561 13.420 6.222 1.00 0.00 C ATOM 2162 O LYS A 138 11.184 14.326 6.775 1.00 0.00 O ATOM 2163 CB LYS A 138 12.207 12.686 4.490 1.00 0.00 C ATOM 2164 CG LYS A 138 12.395 11.177 4.502 1.00 0.00 C ATOM 2165 CD LYS A 138 12.688 10.638 3.111 1.00 0.00 C ATOM 2166 CE LYS A 138 14.160 10.300 2.942 1.00 0.00 C ATOM 2167 NZ LYS A 138 14.522 9.033 3.637 1.00 0.00 N ATOM 0 H LYS A 138 11.246 14.717 3.467 1.00 0.00 H new ATOM 0 HA LYS A 138 10.091 12.318 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 138 12.535 13.077 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 138 12.850 13.130 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 138 13.214 10.917 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.497 10.701 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 138 12.086 9.747 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 138 12.395 11.377 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 138 14.393 10.211 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 138 14.767 11.116 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 15.410 9.166 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 13.765 8.772 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 14.644 8.275 2.936 1.00 0.00 H new ATOM 2181 N VAL A 139 9.688 12.649 6.859 1.00 0.00 N ATOM 2182 CA VAL A 139 9.406 12.829 8.278 1.00 0.00 C ATOM 2183 C VAL A 139 10.249 11.885 9.122 1.00 0.00 C ATOM 2184 O VAL A 139 10.616 12.208 10.252 1.00 0.00 O ATOM 2185 CB VAL A 139 7.919 12.588 8.606 1.00 0.00 C ATOM 2186 CG1 VAL A 139 7.513 13.373 9.844 1.00 0.00 C ATOM 2187 CG2 VAL A 139 7.035 12.953 7.424 1.00 0.00 C ATOM 0 H VAL A 139 9.164 11.894 6.416 1.00 0.00 H new ATOM 0 HA VAL A 139 9.655 13.863 8.514 1.00 0.00 H new ATOM 0 HB VAL A 139 7.784 11.526 8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 139 6.460 13.191 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 139 8.119 13.054 10.692 1.00 0.00 H new ATOM 0 HG13 VAL A 139 7.668 14.437 9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 139 5.991 12.774 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 139 7.173 14.006 7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 139 7.307 12.341 6.564 1.00 0.00 H new ATOM 2197 N SER A 140 10.551 10.714 8.571 1.00 0.00 N ATOM 2198 CA SER A 140 11.349 9.726 9.288 1.00 0.00 C ATOM 2199 C SER A 140 12.137 8.845 8.326 1.00 0.00 C ATOM 2200 O SER A 140 11.762 8.682 7.165 1.00 0.00 O ATOM 2201 CB SER A 140 10.449 8.860 10.173 1.00 0.00 C ATOM 2202 OG SER A 140 10.958 8.779 11.493 1.00 0.00 O ATOM 0 H SER A 140 10.258 10.427 7.637 1.00 0.00 H new ATOM 0 HA SER A 140 12.061 10.263 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 140 9.443 9.278 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 140 10.370 7.859 9.748 1.00 0.00 H new ATOM 0 HG SER A 140 10.365 8.222 12.039 1.00 0.00 H new ATOM 2208 N SER A 141 13.231 8.276 8.822 1.00 0.00 N ATOM 2209 CA SER A 141 14.077 7.407 8.016 1.00 0.00 C ATOM 2210 C SER A 141 14.847 6.431 8.901 1.00 0.00 C ATOM 2211 O SER A 141 15.567 6.839 9.811 1.00 0.00 O ATOM 2212 CB SER A 141 15.054 8.239 7.184 1.00 0.00 C ATOM 2213 OG SER A 141 16.024 8.863 8.008 1.00 0.00 O ATOM 0 H SER A 141 13.552 8.403 9.782 1.00 0.00 H new ATOM 0 HA SER A 141 13.436 6.836 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 141 15.550 7.600 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 141 14.506 8.997 6.624 1.00 0.00 H new ATOM 0 HG SER A 141 16.199 8.300 8.791 1.00 0.00 H new ATOM 2219 N ARG A 142 14.689 5.141 8.627 1.00 0.00 N ATOM 2220 CA ARG A 142 15.368 4.106 9.398 1.00 0.00 C ATOM 2221 C ARG A 142 15.906 3.014 8.480 1.00 0.00 C ATOM 2222 O ARG A 142 15.174 2.466 7.657 1.00 0.00 O ATOM 2223 CB ARG A 142 14.415 3.499 10.429 1.00 0.00 C ATOM 2224 CG ARG A 142 15.127 2.798 11.577 1.00 0.00 C ATOM 2225 CD ARG A 142 14.595 3.246 12.930 1.00 0.00 C ATOM 2226 NE ARG A 142 13.912 2.163 13.635 1.00 0.00 N ATOM 2227 CZ ARG A 142 13.672 2.167 14.944 1.00 0.00 C ATOM 2228 NH1 ARG A 142 14.056 3.193 15.694 1.00 0.00 N ATOM 2229 NH2 ARG A 142 13.045 1.142 15.506 1.00 0.00 N ATOM 0 H ARG A 142 14.096 4.787 7.876 1.00 0.00 H new ATOM 0 HA ARG A 142 16.207 4.566 9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 142 13.780 4.287 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 142 13.759 2.786 9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 142 15.003 1.720 11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 142 16.196 3.003 11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 142 15.420 3.613 13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 142 13.906 4.079 12.791 1.00 0.00 H new ATOM 0 HE ARG A 142 13.601 1.357 13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 142 14.538 3.984 15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.869 3.190 16.697 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.747 0.351 14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.861 1.145 16.509 1.00 0.00 H new ATOM 2243 N THR A 143 17.190 2.703 8.626 1.00 0.00 N ATOM 2244 CA THR A 143 17.822 1.677 7.805 1.00 0.00 C ATOM 2245 C THR A 143 18.001 0.381 8.588 1.00 0.00 C ATOM 2246 O THR A 143 18.842 0.296 9.483 1.00 0.00 O ATOM 2247 CB THR A 143 19.176 2.165 7.292 1.00 0.00 C ATOM 2248 OG1 THR A 143 19.052 3.437 6.681 1.00 0.00 O ATOM 2249 CG2 THR A 143 19.804 1.229 6.281 1.00 0.00 C ATOM 0 H THR A 143 17.811 3.145 9.303 1.00 0.00 H new ATOM 0 HA THR A 143 17.168 1.479 6.956 1.00 0.00 H new ATOM 0 HB THR A 143 19.819 2.211 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 143 19.930 3.733 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 143 20.763 1.634 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 143 19.958 0.251 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 143 19.143 1.127 5.420 1.00 0.00 H new ATOM 2257 N VAL A 144 17.211 -0.628 8.238 1.00 0.00 N ATOM 2258 CA VAL A 144 17.286 -1.924 8.898 1.00 0.00 C ATOM 2259 C VAL A 144 17.959 -2.947 7.991 1.00 0.00 C ATOM 2260 O VAL A 144 17.620 -3.064 6.814 1.00 0.00 O ATOM 2261 CB VAL A 144 15.890 -2.447 9.303 1.00 0.00 C ATOM 2262 CG1 VAL A 144 15.603 -2.127 10.762 1.00 0.00 C ATOM 2263 CG2 VAL A 144 14.802 -1.876 8.403 1.00 0.00 C ATOM 0 H VAL A 144 16.510 -0.572 7.499 1.00 0.00 H new ATOM 0 HA VAL A 144 17.877 -1.786 9.803 1.00 0.00 H new ATOM 0 HB VAL A 144 15.889 -3.530 9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 144 14.615 -2.503 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 144 16.355 -2.601 11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 144 15.633 -1.048 10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 144 13.832 -2.263 8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 144 14.800 -0.789 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 144 14.994 -2.167 7.370 1.00 0.00 H new ATOM 2273 N GLU A 145 18.918 -3.683 8.542 1.00 0.00 N ATOM 2274 CA GLU A 145 19.640 -4.691 7.774 1.00 0.00 C ATOM 2275 C GLU A 145 19.558 -6.058 8.444 1.00 0.00 C ATOM 2276 O GLU A 145 19.552 -6.163 9.670 1.00 0.00 O ATOM 2277 CB GLU A 145 21.105 -4.283 7.602 1.00 0.00 C ATOM 2278 CG GLU A 145 21.727 -3.705 8.861 1.00 0.00 C ATOM 2279 CD GLU A 145 23.208 -4.013 8.973 1.00 0.00 C ATOM 2280 OE1 GLU A 145 23.943 -3.755 7.997 1.00 0.00 O ATOM 2281 OE2 GLU A 145 23.632 -4.510 10.038 1.00 0.00 O ATOM 0 H GLU A 145 19.213 -3.601 9.515 1.00 0.00 H new ATOM 0 HA GLU A 145 19.171 -4.761 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 145 21.681 -5.153 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 145 21.177 -3.548 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 145 21.582 -2.625 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 145 21.210 -4.104 9.734 1.00 0.00 H new ATOM 2288 N ASP A 146 19.500 -7.101 7.625 1.00 0.00 N ATOM 2289 CA ASP A 146 19.424 -8.468 8.123 1.00 0.00 C ATOM 2290 C ASP A 146 20.714 -9.220 7.816 1.00 0.00 C ATOM 2291 O ASP A 146 21.673 -8.639 7.309 1.00 0.00 O ATOM 2292 CB ASP A 146 18.233 -9.192 7.493 1.00 0.00 C ATOM 2293 CG ASP A 146 16.969 -9.055 8.319 1.00 0.00 C ATOM 2294 OD1 ASP A 146 16.317 -7.993 8.234 1.00 0.00 O ATOM 2295 OD2 ASP A 146 16.631 -10.009 9.050 1.00 0.00 O ATOM 0 H ASP A 146 19.504 -7.025 6.608 1.00 0.00 H new ATOM 0 HA ASP A 146 19.288 -8.436 9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 146 18.056 -8.793 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 146 18.474 -10.248 7.376 1.00 0.00 H new ATOM 2300 N THR A 147 20.733 -10.515 8.119 1.00 0.00 N ATOM 2301 CA THR A 147 21.912 -11.334 7.865 1.00 0.00 C ATOM 2302 C THR A 147 22.263 -11.315 6.381 1.00 0.00 C ATOM 2303 O THR A 147 23.428 -11.175 6.008 1.00 0.00 O ATOM 2304 CB THR A 147 21.672 -12.772 8.327 1.00 0.00 C ATOM 2305 OG1 THR A 147 22.776 -13.596 7.999 1.00 0.00 O ATOM 2306 CG2 THR A 147 20.436 -13.398 7.717 1.00 0.00 C ATOM 0 H THR A 147 19.950 -11.017 8.538 1.00 0.00 H new ATOM 0 HA THR A 147 22.747 -10.918 8.429 1.00 0.00 H new ATOM 0 HB THR A 147 21.534 -12.708 9.406 1.00 0.00 H new ATOM 0 HG1 THR A 147 22.603 -14.511 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 147 20.324 -14.417 8.086 1.00 0.00 H new ATOM 0 HG22 THR A 147 19.558 -12.814 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 147 20.534 -13.414 6.632 1.00 0.00 H new ATOM 2314 N ASN A 148 21.244 -11.449 5.540 1.00 0.00 N ATOM 2315 CA ASN A 148 21.437 -11.439 4.096 1.00 0.00 C ATOM 2316 C ASN A 148 21.607 -10.007 3.588 1.00 0.00 C ATOM 2317 O ASN A 148 20.826 -9.123 3.940 1.00 0.00 O ATOM 2318 CB ASN A 148 20.251 -12.104 3.396 1.00 0.00 C ATOM 2319 CG ASN A 148 20.472 -13.586 3.167 1.00 0.00 C ATOM 2320 OD1 ASN A 148 21.522 -14.000 2.676 1.00 0.00 O ATOM 2321 ND2 ASN A 148 19.480 -14.394 3.523 1.00 0.00 N ATOM 0 H ASN A 148 20.274 -11.566 5.835 1.00 0.00 H new ATOM 0 HA ASN A 148 22.342 -12.001 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 148 19.352 -11.962 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 148 20.076 -11.613 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 148 19.571 -15.402 3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 148 18.627 -14.007 3.927 1.00 0.00 H new ATOM 2328 N PRO A 149 22.629 -9.754 2.750 1.00 0.00 N ATOM 2329 CA PRO A 149 22.883 -8.417 2.201 1.00 0.00 C ATOM 2330 C PRO A 149 21.688 -7.885 1.423 1.00 0.00 C ATOM 2331 O PRO A 149 21.431 -6.682 1.396 1.00 0.00 O ATOM 2332 CB PRO A 149 24.075 -8.627 1.261 1.00 0.00 C ATOM 2333 CG PRO A 149 24.718 -9.885 1.729 1.00 0.00 C ATOM 2334 CD PRO A 149 23.611 -10.741 2.270 1.00 0.00 C ATOM 0 HA PRO A 149 23.072 -7.686 2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 149 23.750 -8.712 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 149 24.769 -7.788 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 149 25.234 -10.387 0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 149 25.463 -9.679 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 149 23.189 -11.388 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 149 23.959 -11.388 3.075 1.00 0.00 H new ATOM 2342 N ALA A 150 20.965 -8.798 0.788 1.00 0.00 N ATOM 2343 CA ALA A 150 19.794 -8.436 -0.001 1.00 0.00 C ATOM 2344 C ALA A 150 18.562 -8.228 0.878 1.00 0.00 C ATOM 2345 O ALA A 150 17.561 -7.669 0.430 1.00 0.00 O ATOM 2346 CB ALA A 150 19.518 -9.504 -1.049 1.00 0.00 C ATOM 0 H ALA A 150 21.169 -9.797 0.804 1.00 0.00 H new ATOM 0 HA ALA A 150 20.008 -7.490 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.641 -9.223 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 150 20.380 -9.596 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 150 19.335 -10.459 -0.556 1.00 0.00 H new ATOM 2352 N LEU A 151 18.633 -8.682 2.128 1.00 0.00 N ATOM 2353 CA LEU A 151 17.512 -8.541 3.052 1.00 0.00 C ATOM 2354 C LEU A 151 17.557 -7.208 3.799 1.00 0.00 C ATOM 2355 O LEU A 151 16.820 -7.007 4.764 1.00 0.00 O ATOM 2356 CB LEU A 151 17.495 -9.699 4.055 1.00 0.00 C ATOM 2357 CG LEU A 151 16.965 -11.033 3.515 1.00 0.00 C ATOM 2358 CD1 LEU A 151 16.671 -11.990 4.659 1.00 0.00 C ATOM 2359 CD2 LEU A 151 15.715 -10.820 2.671 1.00 0.00 C ATOM 0 H LEU A 151 19.451 -9.148 2.522 1.00 0.00 H new ATOM 0 HA LEU A 151 16.598 -8.564 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 151 18.510 -9.853 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 151 16.887 -9.406 4.911 1.00 0.00 H new ATOM 0 HG LEU A 151 17.735 -11.471 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.296 -12.932 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.585 -12.174 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 151 15.921 -11.551 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 151 15.359 -11.781 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.939 -10.356 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 151 15.951 -10.170 1.828 1.00 0.00 H new ATOM 2371 N THR A 152 18.416 -6.296 3.351 1.00 0.00 N ATOM 2372 CA THR A 152 18.532 -4.987 3.984 1.00 0.00 C ATOM 2373 C THR A 152 17.455 -4.044 3.456 1.00 0.00 C ATOM 2374 O THR A 152 17.334 -3.842 2.248 1.00 0.00 O ATOM 2375 CB THR A 152 19.919 -4.393 3.737 1.00 0.00 C ATOM 2376 OG1 THR A 152 20.930 -5.346 4.014 1.00 0.00 O ATOM 2377 CG2 THR A 152 20.203 -3.165 4.576 1.00 0.00 C ATOM 0 H THR A 152 19.039 -6.439 2.556 1.00 0.00 H new ATOM 0 HA THR A 152 18.393 -5.111 5.058 1.00 0.00 H new ATOM 0 HB THR A 152 19.926 -4.104 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 152 21.164 -5.823 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 152 21.203 -2.794 4.352 1.00 0.00 H new ATOM 0 HG22 THR A 152 19.470 -2.391 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 152 20.141 -3.424 5.633 1.00 0.00 H new ATOM 2385 N HIS A 153 16.667 -3.477 4.366 1.00 0.00 N ATOM 2386 CA HIS A 153 15.592 -2.565 3.981 1.00 0.00 C ATOM 2387 C HIS A 153 15.735 -1.218 4.678 1.00 0.00 C ATOM 2388 O HIS A 153 16.495 -1.077 5.636 1.00 0.00 O ATOM 2389 CB HIS A 153 14.225 -3.171 4.315 1.00 0.00 C ATOM 2390 CG HIS A 153 14.212 -4.669 4.344 1.00 0.00 C ATOM 2391 ND1 HIS A 153 13.667 -5.396 5.381 1.00 0.00 N ATOM 2392 CD2 HIS A 153 14.678 -5.576 3.454 1.00 0.00 C ATOM 2393 CE1 HIS A 153 13.800 -6.686 5.128 1.00 0.00 C ATOM 2394 NE2 HIS A 153 14.409 -6.821 3.965 1.00 0.00 N ATOM 0 H HIS A 153 16.751 -3.632 5.371 1.00 0.00 H new ATOM 0 HA HIS A 153 15.664 -2.410 2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 153 13.901 -2.796 5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 153 13.497 -2.826 3.581 1.00 0.00 H new ATOM 0 HD1 HIS A 153 13.230 -5.000 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 153 15.170 -5.360 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 153 13.467 -7.493 5.764 1.00 0.00 H new ATOM 2403 N THR A 154 14.991 -0.230 4.190 1.00 0.00 N ATOM 2404 CA THR A 154 15.024 1.110 4.764 1.00 0.00 C ATOM 2405 C THR A 154 13.621 1.709 4.827 1.00 0.00 C ATOM 2406 O THR A 154 12.949 1.849 3.805 1.00 0.00 O ATOM 2407 CB THR A 154 15.942 2.017 3.943 1.00 0.00 C ATOM 2408 OG1 THR A 154 17.236 1.451 3.832 1.00 0.00 O ATOM 2409 CG2 THR A 154 16.096 3.403 4.531 1.00 0.00 C ATOM 0 H THR A 154 14.357 -0.333 3.397 1.00 0.00 H new ATOM 0 HA THR A 154 15.414 1.034 5.779 1.00 0.00 H new ATOM 0 HB THR A 154 15.464 2.105 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 154 17.808 2.045 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 154 16.759 3.994 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 154 15.120 3.886 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 154 16.519 3.328 5.533 1.00 0.00 H new ATOM 2417 N TYR A 155 13.187 2.062 6.033 1.00 0.00 N ATOM 2418 CA TYR A 155 11.865 2.649 6.228 1.00 0.00 C ATOM 2419 C TYR A 155 11.939 4.170 6.163 1.00 0.00 C ATOM 2420 O TYR A 155 12.821 4.782 6.765 1.00 0.00 O ATOM 2421 CB TYR A 155 11.285 2.212 7.575 1.00 0.00 C ATOM 2422 CG TYR A 155 10.419 0.975 7.493 1.00 0.00 C ATOM 2423 CD1 TYR A 155 9.163 1.020 6.899 1.00 0.00 C ATOM 2424 CD2 TYR A 155 10.857 -0.238 8.009 1.00 0.00 C ATOM 2425 CE1 TYR A 155 8.369 -0.108 6.824 1.00 0.00 C ATOM 2426 CE2 TYR A 155 10.069 -1.371 7.937 1.00 0.00 C ATOM 2427 CZ TYR A 155 8.826 -1.301 7.344 1.00 0.00 C ATOM 2428 OH TYR A 155 8.038 -2.426 7.270 1.00 0.00 O ATOM 0 H TYR A 155 13.730 1.952 6.889 1.00 0.00 H new ATOM 0 HA TYR A 155 11.212 2.297 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 155 12.104 2.026 8.270 1.00 0.00 H new ATOM 0 HB3 TYR A 155 10.696 3.030 7.989 1.00 0.00 H new ATOM 0 HD1 TYR A 155 8.802 1.952 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 155 11.830 -0.297 8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 155 7.395 -0.056 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 155 10.425 -2.306 8.343 1.00 0.00 H new ATOM 0 HH TYR A 155 7.334 -2.378 7.950 1.00 0.00 H new ATOM 2438 N GLU A 156 11.014 4.777 5.426 1.00 0.00 N ATOM 2439 CA GLU A 156 10.990 6.228 5.284 1.00 0.00 C ATOM 2440 C GLU A 156 9.575 6.779 5.430 1.00 0.00 C ATOM 2441 O GLU A 156 8.614 6.200 4.920 1.00 0.00 O ATOM 2442 CB GLU A 156 11.565 6.633 3.925 1.00 0.00 C ATOM 2443 CG GLU A 156 12.909 5.993 3.618 1.00 0.00 C ATOM 2444 CD GLU A 156 13.274 6.081 2.150 1.00 0.00 C ATOM 2445 OE1 GLU A 156 12.877 7.070 1.498 1.00 0.00 O ATOM 2446 OE2 GLU A 156 13.959 5.163 1.652 1.00 0.00 O ATOM 0 H GLU A 156 10.275 4.289 4.920 1.00 0.00 H new ATOM 0 HA GLU A 156 11.603 6.651 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 156 10.855 6.361 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 156 11.673 7.717 3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 156 13.683 6.480 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 156 12.887 4.946 3.921 1.00 0.00 H new ATOM 2453 N VAL A 157 9.460 7.911 6.121 1.00 0.00 N ATOM 2454 CA VAL A 157 8.170 8.558 6.327 1.00 0.00 C ATOM 2455 C VAL A 157 8.104 9.876 5.566 1.00 0.00 C ATOM 2456 O VAL A 157 9.114 10.561 5.400 1.00 0.00 O ATOM 2457 CB VAL A 157 7.881 8.819 7.817 1.00 0.00 C ATOM 2458 CG1 VAL A 157 6.434 9.259 8.009 1.00 0.00 C ATOM 2459 CG2 VAL A 157 8.182 7.577 8.644 1.00 0.00 C ATOM 0 H VAL A 157 10.248 8.399 6.548 1.00 0.00 H new ATOM 0 HA VAL A 157 7.412 7.873 5.948 1.00 0.00 H new ATOM 0 HB VAL A 157 8.532 9.623 8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 157 6.246 9.439 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 157 6.255 10.176 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 157 5.765 8.477 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.972 7.780 9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.557 6.752 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 157 9.232 7.309 8.529 1.00 0.00 H new ATOM 2469 N TRP A 158 6.904 10.220 5.117 1.00 0.00 N ATOM 2470 CA TRP A 158 6.690 11.458 4.373 1.00 0.00 C ATOM 2471 C TRP A 158 5.365 12.113 4.743 1.00 0.00 C ATOM 2472 O TRP A 158 4.336 11.447 4.839 1.00 0.00 O ATOM 2473 CB TRP A 158 6.723 11.193 2.867 1.00 0.00 C ATOM 2474 CG TRP A 158 7.985 10.537 2.393 1.00 0.00 C ATOM 2475 CD1 TRP A 158 8.420 9.278 2.692 1.00 0.00 C ATOM 2476 CD2 TRP A 158 8.972 11.106 1.525 1.00 0.00 C ATOM 2477 NE1 TRP A 158 9.618 9.031 2.068 1.00 0.00 N ATOM 2478 CE2 TRP A 158 9.978 10.138 1.345 1.00 0.00 C ATOM 2479 CE3 TRP A 158 9.103 12.341 0.883 1.00 0.00 C ATOM 2480 CZ2 TRP A 158 11.098 10.366 0.550 1.00 0.00 C ATOM 2481 CZ3 TRP A 158 10.216 12.567 0.094 1.00 0.00 C ATOM 2482 CH2 TRP A 158 11.200 11.583 -0.067 1.00 0.00 C ATOM 0 H TRP A 158 6.063 9.660 5.254 1.00 0.00 H new ATOM 0 HA TRP A 158 7.498 12.139 4.641 1.00 0.00 H new ATOM 0 HB2 TRP A 158 5.875 10.562 2.600 1.00 0.00 H new ATOM 0 HB3 TRP A 158 6.596 12.138 2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 158 7.898 8.578 3.327 1.00 0.00 H new ATOM 0 HE1 TRP A 158 10.153 8.165 2.132 1.00 0.00 H new ATOM 0 HE3 TRP A 158 8.349 13.105 1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 158 11.859 9.610 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 158 10.328 13.518 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 158 12.057 11.789 -0.691 1.00 0.00 H new ATOM 2493 N GLN A 159 5.400 13.427 4.939 1.00 0.00 N ATOM 2494 CA GLN A 159 4.204 14.186 5.285 1.00 0.00 C ATOM 2495 C GLN A 159 4.198 15.525 4.557 1.00 0.00 C ATOM 2496 O GLN A 159 5.211 16.222 4.516 1.00 0.00 O ATOM 2497 CB GLN A 159 4.126 14.414 6.796 1.00 0.00 C ATOM 2498 CG GLN A 159 3.412 13.299 7.543 1.00 0.00 C ATOM 2499 CD GLN A 159 3.043 13.691 8.960 1.00 0.00 C ATOM 2500 OE1 GLN A 159 3.902 13.347 9.913 1.00 0.00 O flip ATOM 2501 NE2 GLN A 159 1.997 14.295 9.197 1.00 0.00 N flip ATOM 0 H GLN A 159 6.247 13.990 4.864 1.00 0.00 H new ATOM 0 HA GLN A 159 3.333 13.609 4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 159 5.136 14.517 7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 159 3.611 15.356 6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 159 2.509 13.023 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 159 4.051 12.416 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 159 1.365 14.540 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 159 1.762 14.551 10.156 1.00 0.00 H new ATOM 2510 N LYS A 160 3.056 15.879 3.976 1.00 0.00 N ATOM 2511 CA LYS A 160 2.934 17.134 3.243 1.00 0.00 C ATOM 2512 C LYS A 160 3.266 18.323 4.137 1.00 0.00 C ATOM 2513 O LYS A 160 2.868 18.369 5.301 1.00 0.00 O ATOM 2514 CB LYS A 160 1.519 17.285 2.681 1.00 0.00 C ATOM 2515 CG LYS A 160 1.418 18.298 1.551 1.00 0.00 C ATOM 2516 CD LYS A 160 0.314 19.312 1.804 1.00 0.00 C ATOM 2517 CE LYS A 160 0.440 20.515 0.884 1.00 0.00 C ATOM 2518 NZ LYS A 160 -0.875 21.168 0.639 1.00 0.00 N ATOM 0 H LYS A 160 2.205 15.317 3.998 1.00 0.00 H new ATOM 0 HA LYS A 160 3.646 17.113 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 160 1.175 16.316 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.847 17.583 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.370 18.816 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 160 1.227 17.778 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -0.657 18.839 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 160 0.352 19.641 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 160 1.128 21.238 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 160 0.872 20.201 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -0.745 21.984 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.524 20.487 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -1.276 21.491 1.543 1.00 0.00 H new ATOM 2532 N LYS A 161 4.000 19.281 3.583 1.00 0.00 N ATOM 2533 CA LYS A 161 4.391 20.473 4.328 1.00 0.00 C ATOM 2534 C LYS A 161 3.168 21.292 4.728 1.00 0.00 C ATOM 2535 O LYS A 161 2.193 21.374 3.981 1.00 0.00 O ATOM 2536 CB LYS A 161 5.344 21.331 3.494 1.00 0.00 C ATOM 2537 CG LYS A 161 6.714 20.702 3.297 1.00 0.00 C ATOM 2538 CD LYS A 161 6.996 20.417 1.829 1.00 0.00 C ATOM 2539 CE LYS A 161 7.921 21.461 1.225 1.00 0.00 C ATOM 2540 NZ LYS A 161 8.944 20.848 0.334 1.00 0.00 N ATOM 0 H LYS A 161 4.337 19.256 2.620 1.00 0.00 H new ATOM 0 HA LYS A 161 4.902 20.152 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 161 4.894 21.515 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.465 22.300 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 161 7.481 21.368 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 161 6.774 19.774 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 161 7.446 19.429 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.058 20.397 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 161 7.333 22.183 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 161 8.418 22.011 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 9.312 21.569 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 9.724 20.471 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 8.511 20.075 -0.211 1.00 0.00 H new ATOM 2554 N ALA A 162 3.229 21.897 5.910 1.00 0.00 N ATOM 2555 CA ALA A 162 2.127 22.711 6.413 1.00 0.00 C ATOM 2556 C ALA A 162 0.879 21.866 6.642 1.00 0.00 C ATOM 2557 O ALA A 162 0.114 22.184 7.576 1.00 0.00 O ATOM 2558 CB ALA A 162 1.828 23.849 5.448 1.00 0.00 C ATOM 2559 OXT ALA A 162 0.676 20.893 5.885 1.00 0.00 O ATOM 0 H ALA A 162 4.030 21.839 6.538 1.00 0.00 H new ATOM 0 HA ALA A 162 2.428 23.133 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 162 1.004 24.448 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 162 2.713 24.476 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 162 1.553 23.439 4.476 1.00 0.00 H new TER 2565 ALA A 162 HETATM 2566 PA NDP A 170 -3.977 -3.019 -9.288 1.00 0.00 P HETATM 2567 O1A NDP A 170 -3.083 -1.877 -9.014 1.00 0.00 O HETATM 2568 O2A NDP A 170 -4.096 -4.059 -8.247 1.00 0.00 O HETATM 2569 O5B NDP A 170 -5.407 -2.528 -9.788 1.00 0.00 O HETATM 2570 C5B NDP A 170 -5.524 -1.565 -10.849 1.00 0.00 C HETATM 2571 C4B NDP A 170 -6.933 -1.551 -11.389 1.00 0.00 C HETATM 2572 O4B NDP A 170 -7.850 -1.190 -10.321 1.00 0.00 O HETATM 2573 C3B NDP A 170 -7.204 -0.528 -12.481 1.00 0.00 C HETATM 2574 O3B NDP A 170 -6.853 -1.048 -13.767 1.00 0.00 O HETATM 2575 C2B NDP A 170 -8.706 -0.317 -12.353 1.00 0.00 C HETATM 2576 O2B NDP A 170 -9.468 -1.330 -12.977 1.00 0.00 O HETATM 2577 C1B NDP A 170 -8.887 -0.371 -10.835 1.00 0.00 C HETATM 2578 N9A NDP A 170 -8.782 0.943 -10.202 1.00 0.00 N HETATM 2579 C8A NDP A 170 -7.643 1.579 -9.772 1.00 0.00 C HETATM 2580 N7A NDP A 170 -7.863 2.759 -9.245 1.00 0.00 N HETATM 2581 C5A NDP A 170 -9.240 2.911 -9.332 1.00 0.00 C HETATM 2582 C6A NDP A 170 -10.106 3.951 -8.945 1.00 0.00 C HETATM 2583 N6A NDP A 170 -9.693 5.083 -8.370 1.00 0.00 N HETATM 2584 N1A NDP A 170 -11.430 3.786 -9.173 1.00 0.00 N HETATM 2585 C2A NDP A 170 -11.844 2.649 -9.751 1.00 0.00 C HETATM 2586 N3A NDP A 170 -11.128 1.602 -10.159 1.00 0.00 N HETATM 2587 C4A NDP A 170 -9.819 1.798 -9.919 1.00 0.00 C HETATM 2588 O3 NDP A 170 -3.484 -3.738 -10.687 1.00 0.00 O HETATM 2589 PN NDP A 170 -2.172 -4.624 -11.149 1.00 0.00 P HETATM 2590 O1N NDP A 170 -2.608 -5.615 -12.152 1.00 0.00 O HETATM 2591 O2N NDP A 170 -1.095 -3.691 -11.534 1.00 0.00 O HETATM 2592 O5D NDP A 170 -1.871 -5.311 -9.743 1.00 0.00 O HETATM 2593 C5D NDP A 170 -1.036 -4.661 -8.767 1.00 0.00 C HETATM 2594 C4D NDP A 170 0.229 -5.456 -8.553 1.00 0.00 C HETATM 2595 O4D NDP A 170 1.106 -4.735 -7.649 1.00 0.00 O HETATM 2596 C3D NDP A 170 0.050 -6.816 -7.899 1.00 0.00 C HETATM 2597 O3D NDP A 170 -0.276 -7.813 -8.872 1.00 0.00 O HETATM 2598 C2D NDP A 170 1.425 -7.062 -7.291 1.00 0.00 C HETATM 2599 O2D NDP A 170 2.383 -7.558 -8.225 1.00 0.00 O HETATM 2600 C1D NDP A 170 1.815 -5.655 -6.836 1.00 0.00 C HETATM 2601 N1N NDP A 170 1.492 -5.374 -5.438 1.00 0.00 N HETATM 2602 C2N NDP A 170 2.293 -5.212 -4.392 1.00 0.00 C HETATM 2603 C3N NDP A 170 1.942 -4.928 -3.179 1.00 0.00 C HETATM 2604 C7N NDP A 170 3.107 -4.811 -2.347 1.00 0.00 C HETATM 2605 O7N NDP A 170 2.631 -4.440 -1.178 1.00 0.00 O HETATM 2606 N7N NDP A 170 4.423 -4.969 -2.636 1.00 0.00 N HETATM 2607 C4N NDP A 170 0.474 -4.766 -2.898 1.00 0.00 C HETATM 2608 C5N NDP A 170 -0.452 -4.929 -3.990 1.00 0.00 C HETATM 2609 C6N NDP A 170 -0.033 -5.232 -5.276 1.00 0.00 C HETATM 2610 P2B NDP A 170 -9.723 -1.566 -14.610 1.00 0.00 P HETATM 2611 O1X NDP A 170 -9.165 -3.040 -14.697 1.00 0.00 O HETATM 2612 O2X NDP A 170 -11.250 -1.596 -14.648 1.00 0.00 O HETATM 2613 O3X NDP A 170 -8.693 -0.598 -15.191 1.00 0.00 O HETATM 0 HO3N NDP A 170 -0.912 -7.443 -9.519 1.00 0.00 H new HETATM 0 HO3A NDP A 170 -7.388 -0.603 -14.457 1.00 0.00 H new HETATM 0 HO2N NDP A 170 2.271 -7.099 -9.084 1.00 0.00 H new HETATM 0 H72N NDP A 170 5.124 -4.844 -1.906 1.00 0.00 H new HETATM 0 H71N NDP A 170 4.711 -5.212 -3.584 1.00 0.00 H new HETATM 0 H62A NDP A 170 -10.370 5.801 -8.112 1.00 0.00 H new HETATM 0 H61A NDP A 170 -8.700 5.230 -8.189 1.00 0.00 H new HETATM 0 H52N NDP A 170 -0.789 -3.654 -9.102 1.00 0.00 H new HETATM 0 H52A NDP A 170 -5.258 -0.574 -10.481 1.00 0.00 H new HETATM 0 H51N NDP A 170 -1.575 -4.561 -7.825 1.00 0.00 H new HETATM 0 H51A NDP A 170 -4.823 -1.807 -11.648 1.00 0.00 H new HETATM 0 H42N NDP A 170 0.203 -5.482 -2.122 1.00 0.00 H new HETATM 0 H41N NDP A 170 0.323 -3.771 -2.480 1.00 0.00 H new HETATM 0 H8A NDP A 170 -6.648 1.143 -9.861 1.00 0.00 H new HETATM 0 H6N NDP A 170 -0.727 -5.360 -6.106 1.00 0.00 H new HETATM 0 H5N NDP A 170 -1.518 -4.810 -3.798 1.00 0.00 H new HETATM 0 H4D NDP A 170 0.618 -5.598 -9.561 1.00 0.00 H new HETATM 0 H4B NDP A 170 -7.070 -2.551 -11.800 1.00 0.00 H new HETATM 0 H3D NDP A 170 -0.761 -6.853 -7.171 1.00 0.00 H new HETATM 0 H3B NDP A 170 -6.627 0.391 -12.382 1.00 0.00 H new HETATM 0 H2N NDP A 170 3.361 -5.331 -4.574 1.00 0.00 H new HETATM 0 H2D NDP A 170 1.400 -7.821 -6.509 1.00 0.00 H new HETATM 0 H2B NDP A 170 -9.045 0.601 -12.834 1.00 0.00 H new HETATM 0 H2A NDP A 170 -12.919 2.570 -9.910 1.00 0.00 H new HETATM 0 H1D NDP A 170 2.897 -5.567 -6.930 1.00 0.00 H new HETATM 0 H1B NDP A 170 -9.884 -0.756 -10.622 1.00 0.00 H new