USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-3.6!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0 K(o=-2.7,f=-3.5) USER MOD Set 2.1: A 49 ASN : amide:sc= -2.97 K(o=-5.4,f=-12!) USER MOD Set 2.2: A 52 ASN : amide:sc= -2.41 K(o=-5.4,f=-15!) USER MOD Set 3.1: A 19 THR OG1 : rot 75:sc= 1.08 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -0.865 X(o=0.22,f=0.61) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.743 F(o=-1.7,f=-0.74) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.47) USER MOD Single : A 7 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 84:sc= 0.119 USER MOD Single : A 24 GLN : amide:sc= 1.07 K(o=1.1,f=-0.059) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc=0.000179 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.639 (180deg=0.0442) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.21 (180deg=-1.13) USER MOD Single : A 45 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc=-0.00651 X(o=-0.0065,f=-0.066) USER MOD Single : A 65 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 68 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 48:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 165.125 27.452 14.493 1.00 0.00 N ATOM 2 CA MET A 1 166.037 26.497 13.812 1.00 0.00 C ATOM 3 C MET A 1 165.878 26.570 12.296 1.00 0.00 C ATOM 4 O MET A 1 166.856 26.734 11.567 1.00 0.00 O ATOM 5 CB MET A 1 165.723 25.084 14.307 1.00 0.00 C ATOM 6 CG MET A 1 166.473 24.703 15.573 1.00 0.00 C ATOM 7 SD MET A 1 165.866 23.172 16.306 1.00 0.00 S ATOM 8 CE MET A 1 165.463 23.726 17.961 1.00 0.00 C ATOM 0 H1 MET A 1 165.254 27.381 15.523 1.00 0.00 H new ATOM 0 H2 MET A 1 165.342 28.421 14.183 1.00 0.00 H new ATOM 0 H3 MET A 1 164.140 27.224 14.251 1.00 0.00 H new ATOM 0 HA MET A 1 167.069 26.757 14.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 164.652 25.002 14.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 165.967 24.370 13.521 1.00 0.00 H new ATOM 0 HG2 MET A 1 167.533 24.596 15.344 1.00 0.00 H new ATOM 0 HG3 MET A 1 166.384 25.510 16.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 165.073 22.889 18.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 166.360 24.114 18.443 1.00 0.00 H new ATOM 0 HE3 MET A 1 164.710 24.512 17.908 1.00 0.00 H new ATOM 20 N HIS A 2 164.640 26.446 11.830 1.00 0.00 N ATOM 21 CA HIS A 2 164.352 26.497 10.402 1.00 0.00 C ATOM 22 C HIS A 2 163.042 27.233 10.137 1.00 0.00 C ATOM 23 O HIS A 2 162.036 26.990 10.804 1.00 0.00 O ATOM 24 CB HIS A 2 164.282 25.084 9.823 1.00 0.00 C ATOM 25 CG HIS A 2 165.486 24.249 10.134 1.00 0.00 C ATOM 26 ND1 HIS A 2 165.763 23.455 11.195 1.00 0.00 N flip ATOM 27 CD2 HIS A 2 166.583 24.170 9.301 1.00 0.00 C flip ATOM 28 CE1 HIS A 2 167.009 22.916 10.985 1.00 0.00 C flip ATOM 29 NE2 HIS A 2 167.481 23.362 9.835 1.00 0.00 N flip ATOM 0 H HIS A 2 163.820 26.309 12.421 1.00 0.00 H new ATOM 0 HA HIS A 2 165.160 27.042 9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 2 163.394 24.585 10.211 1.00 0.00 H new ATOM 0 HB3 HIS A 2 164.165 25.149 8.741 1.00 0.00 H new ATOM 0 HD2 HIS A 2 166.691 24.688 8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 2 167.520 22.238 11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 2 168.385 23.123 9.428 1.00 0.00 H new ATOM 38 N HIS A 3 163.061 28.133 9.158 1.00 0.00 N ATOM 39 CA HIS A 3 161.875 28.904 8.805 1.00 0.00 C ATOM 40 C HIS A 3 161.480 28.660 7.352 1.00 0.00 C ATOM 41 O HIS A 3 162.249 28.943 6.434 1.00 0.00 O ATOM 42 CB HIS A 3 162.124 30.396 9.037 1.00 0.00 C ATOM 43 CG HIS A 3 160.988 31.093 9.720 1.00 0.00 C ATOM 44 ND1 HIS A 3 161.030 31.483 11.042 1.00 0.00 N ATOM 45 CD2 HIS A 3 159.772 31.471 9.256 1.00 0.00 C ATOM 46 CE1 HIS A 3 159.889 32.070 11.362 1.00 0.00 C ATOM 47 NE2 HIS A 3 159.110 32.074 10.297 1.00 0.00 N ATOM 0 H HIS A 3 163.885 28.346 8.596 1.00 0.00 H new ATOM 0 HA HIS A 3 161.055 28.577 9.444 1.00 0.00 H new ATOM 0 HB2 HIS A 3 163.027 30.517 9.636 1.00 0.00 H new ATOM 0 HB3 HIS A 3 162.311 30.878 8.078 1.00 0.00 H new ATOM 0 HD2 HIS A 3 159.394 31.325 8.255 1.00 0.00 H new ATOM 0 HE1 HIS A 3 159.638 32.477 12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 3 158.168 32.462 10.254 1.00 0.00 H new ATOM 56 N HIS A 4 160.277 28.131 7.152 1.00 0.00 N ATOM 57 CA HIS A 4 159.780 27.848 5.811 1.00 0.00 C ATOM 58 C HIS A 4 158.366 28.390 5.628 1.00 0.00 C ATOM 59 O HIS A 4 157.668 28.673 6.602 1.00 0.00 O ATOM 60 CB HIS A 4 159.800 26.343 5.543 1.00 0.00 C ATOM 61 CG HIS A 4 161.160 25.731 5.672 1.00 0.00 C ATOM 62 ND1 HIS A 4 161.411 24.608 6.433 1.00 0.00 N ATOM 63 CD2 HIS A 4 162.348 26.088 5.129 1.00 0.00 C ATOM 64 CE1 HIS A 4 162.695 24.304 6.354 1.00 0.00 C ATOM 65 NE2 HIS A 4 163.284 25.186 5.569 1.00 0.00 N ATOM 0 H HIS A 4 159.629 27.890 7.902 1.00 0.00 H new ATOM 0 HA HIS A 4 160.436 28.346 5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 4 159.121 25.849 6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 4 159.420 26.156 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 4 162.526 26.927 4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 4 163.180 23.475 6.848 1.00 0.00 H new ATOM 0 HE2 HIS A 4 164.275 25.196 5.328 1.00 0.00 H new ATOM 74 N HIS A 5 157.950 28.532 4.374 1.00 0.00 N ATOM 75 CA HIS A 5 156.619 29.040 4.063 1.00 0.00 C ATOM 76 C HIS A 5 155.722 27.926 3.530 1.00 0.00 C ATOM 77 O HIS A 5 154.580 27.775 3.961 1.00 0.00 O ATOM 78 CB HIS A 5 156.707 30.174 3.040 1.00 0.00 C ATOM 79 CG HIS A 5 156.763 31.536 3.659 1.00 0.00 C ATOM 80 ND1 HIS A 5 156.069 32.618 3.161 1.00 0.00 N ATOM 81 CD2 HIS A 5 157.436 31.989 4.744 1.00 0.00 C ATOM 82 CE1 HIS A 5 156.311 33.678 3.912 1.00 0.00 C ATOM 83 NE2 HIS A 5 157.137 33.323 4.878 1.00 0.00 N ATOM 0 H HIS A 5 158.515 28.302 3.557 1.00 0.00 H new ATOM 0 HA HIS A 5 156.181 29.426 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 5 157.594 30.028 2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 5 155.844 30.121 2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 5 158.086 31.410 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 5 155.902 34.666 3.761 1.00 0.00 H new ATOM 0 HE2 HIS A 5 157.496 33.940 5.607 1.00 0.00 H new ATOM 92 N HIS A 6 156.249 27.149 2.589 1.00 0.00 N ATOM 93 CA HIS A 6 155.497 26.048 1.996 1.00 0.00 C ATOM 94 C HIS A 6 156.207 24.718 2.226 1.00 0.00 C ATOM 95 O HIS A 6 157.434 24.640 2.173 1.00 0.00 O ATOM 96 CB HIS A 6 155.304 26.284 0.498 1.00 0.00 C ATOM 97 CG HIS A 6 154.210 27.256 0.181 1.00 0.00 C ATOM 98 ND1 HIS A 6 153.254 27.026 -0.786 1.00 0.00 N ATOM 99 CD2 HIS A 6 153.922 28.470 0.711 1.00 0.00 C ATOM 100 CE1 HIS A 6 152.426 28.056 -0.838 1.00 0.00 C ATOM 101 NE2 HIS A 6 152.809 28.944 0.060 1.00 0.00 N ATOM 0 H HIS A 6 157.194 27.261 2.221 1.00 0.00 H new ATOM 0 HA HIS A 6 154.521 26.006 2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 6 156.239 26.650 0.073 1.00 0.00 H new ATOM 0 HB3 HIS A 6 155.085 25.332 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 6 154.466 28.971 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 6 151.580 28.154 -1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 6 152.352 29.838 0.241 1.00 0.00 H new ATOM 110 N HIS A 7 155.426 23.673 2.481 1.00 0.00 N ATOM 111 CA HIS A 7 155.979 22.345 2.718 1.00 0.00 C ATOM 112 C HIS A 7 154.880 21.288 2.700 1.00 0.00 C ATOM 113 O HIS A 7 155.000 20.263 2.028 1.00 0.00 O ATOM 114 CB HIS A 7 156.716 22.309 4.058 1.00 0.00 C ATOM 115 CG HIS A 7 157.742 21.221 4.147 1.00 0.00 C ATOM 116 ND1 HIS A 7 158.824 21.275 5.001 1.00 0.00 N ATOM 117 CD2 HIS A 7 157.847 20.045 3.485 1.00 0.00 C ATOM 118 CE1 HIS A 7 159.549 20.180 4.859 1.00 0.00 C ATOM 119 NE2 HIS A 7 158.977 19.418 3.946 1.00 0.00 N ATOM 0 H HIS A 7 154.408 23.721 2.529 1.00 0.00 H new ATOM 0 HA HIS A 7 156.685 22.123 1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 7 157.203 23.271 4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 7 155.989 22.179 4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 7 157.168 19.670 2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 7 160.455 19.948 5.398 1.00 0.00 H new ATOM 0 HE2 HIS A 7 159.320 18.510 3.633 1.00 0.00 H new ATOM 128 N LEU A 8 153.808 21.544 3.443 1.00 0.00 N ATOM 129 CA LEU A 8 152.685 20.615 3.512 1.00 0.00 C ATOM 130 C LEU A 8 151.953 20.542 2.176 1.00 0.00 C ATOM 131 O LEU A 8 151.356 19.519 1.840 1.00 0.00 O ATOM 132 CB LEU A 8 151.715 21.039 4.617 1.00 0.00 C ATOM 133 CG LEU A 8 151.115 22.439 4.449 1.00 0.00 C ATOM 134 CD1 LEU A 8 149.675 22.351 3.967 1.00 0.00 C ATOM 135 CD2 LEU A 8 151.194 23.214 5.757 1.00 0.00 C ATOM 0 H LEU A 8 153.693 22.387 4.006 1.00 0.00 H new ATOM 0 HA LEU A 8 153.079 19.625 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 8 150.902 20.315 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 8 152.236 20.996 5.574 1.00 0.00 H new ATOM 0 HG LEU A 8 151.696 22.973 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 8 149.267 23.355 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 8 149.644 21.836 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 8 149.081 21.798 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 8 150.763 24.206 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 8 150.639 22.682 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 152.236 23.310 6.061 1.00 0.00 H new ATOM 147 N VAL A 9 152.004 21.631 1.415 1.00 0.00 N ATOM 148 CA VAL A 9 151.347 21.690 0.115 1.00 0.00 C ATOM 149 C VAL A 9 151.830 20.564 -0.799 1.00 0.00 C ATOM 150 O VAL A 9 152.971 20.579 -1.261 1.00 0.00 O ATOM 151 CB VAL A 9 151.601 23.041 -0.580 1.00 0.00 C ATOM 152 CG1 VAL A 9 150.754 23.164 -1.837 1.00 0.00 C ATOM 153 CG2 VAL A 9 151.323 24.193 0.374 1.00 0.00 C ATOM 0 H VAL A 9 152.495 22.486 1.677 1.00 0.00 H new ATOM 0 HA VAL A 9 150.278 21.575 0.296 1.00 0.00 H new ATOM 0 HB VAL A 9 152.650 23.086 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 9 150.948 24.125 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 151.008 22.359 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 9 149.699 23.096 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 9 151.508 25.139 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 9 150.284 24.153 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 9 151.978 24.113 1.241 1.00 0.00 H new ATOM 163 N PRO A 10 150.967 19.568 -1.074 1.00 0.00 N ATOM 164 CA PRO A 10 151.321 18.437 -1.939 1.00 0.00 C ATOM 165 C PRO A 10 151.905 18.886 -3.273 1.00 0.00 C ATOM 166 O PRO A 10 151.521 19.924 -3.812 1.00 0.00 O ATOM 167 CB PRO A 10 149.985 17.722 -2.153 1.00 0.00 C ATOM 168 CG PRO A 10 149.173 18.071 -0.956 1.00 0.00 C ATOM 169 CD PRO A 10 149.584 19.466 -0.569 1.00 0.00 C ATOM 0 HA PRO A 10 152.090 17.808 -1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 10 149.500 18.055 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 10 150.122 16.644 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 10 148.107 18.026 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 10 149.357 17.370 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 10 148.935 20.216 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 10 149.538 19.614 0.510 1.00 0.00 H new ATOM 177 N ARG A 11 152.835 18.098 -3.801 1.00 0.00 N ATOM 178 CA ARG A 11 153.474 18.415 -5.074 1.00 0.00 C ATOM 179 C ARG A 11 153.619 17.165 -5.936 1.00 0.00 C ATOM 180 O ARG A 11 153.298 17.179 -7.125 1.00 0.00 O ATOM 181 CB ARG A 11 154.848 19.046 -4.836 1.00 0.00 C ATOM 182 CG ARG A 11 154.810 20.258 -3.919 1.00 0.00 C ATOM 183 CD ARG A 11 155.845 21.294 -4.323 1.00 0.00 C ATOM 184 NE ARG A 11 155.980 22.352 -3.325 1.00 0.00 N ATOM 185 CZ ARG A 11 156.627 23.496 -3.539 1.00 0.00 C ATOM 186 NH1 ARG A 11 157.199 23.733 -4.713 1.00 0.00 N ATOM 187 NH2 ARG A 11 156.702 24.405 -2.577 1.00 0.00 N ATOM 0 H ARG A 11 153.164 17.235 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 11 152.841 19.128 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 155.513 18.297 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 11 155.275 19.340 -5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 11 153.816 20.705 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 11 154.990 19.944 -2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 11 156.809 20.806 -4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 11 155.564 21.733 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 11 155.553 22.206 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 11 157.144 23.037 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 157.693 24.611 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 11 156.264 24.228 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 11 157.198 25.281 -2.741 1.00 0.00 H new ATOM 201 N GLY A 12 154.103 16.087 -5.329 1.00 0.00 N ATOM 202 CA GLY A 12 154.283 14.844 -6.057 1.00 0.00 C ATOM 203 C GLY A 12 153.105 13.902 -5.898 1.00 0.00 C ATOM 204 O GLY A 12 152.836 13.081 -6.775 1.00 0.00 O ATOM 0 H GLY A 12 154.374 16.051 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 12 154.428 15.064 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 12 155.189 14.350 -5.707 1.00 0.00 H new ATOM 208 N SER A 13 152.402 14.019 -4.776 1.00 0.00 N ATOM 209 CA SER A 13 151.248 13.171 -4.506 1.00 0.00 C ATOM 210 C SER A 13 151.653 11.701 -4.459 1.00 0.00 C ATOM 211 O SER A 13 152.835 11.370 -4.561 1.00 0.00 O ATOM 212 CB SER A 13 150.172 13.382 -5.573 1.00 0.00 C ATOM 213 OG SER A 13 149.723 14.726 -5.587 1.00 0.00 O ATOM 0 H SER A 13 152.612 14.693 -4.040 1.00 0.00 H new ATOM 0 HA SER A 13 150.844 13.450 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 13 150.571 13.118 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 13 149.330 12.716 -5.382 1.00 0.00 H new ATOM 0 HG SER A 13 149.037 14.835 -6.279 1.00 0.00 H new ATOM 219 N ILE A 14 150.666 10.823 -4.305 1.00 0.00 N ATOM 220 CA ILE A 14 150.916 9.386 -4.245 1.00 0.00 C ATOM 221 C ILE A 14 151.623 9.002 -2.950 1.00 0.00 C ATOM 222 O ILE A 14 151.074 8.267 -2.128 1.00 0.00 O ATOM 223 CB ILE A 14 151.766 8.907 -5.440 1.00 0.00 C ATOM 224 CG1 ILE A 14 151.209 9.471 -6.749 1.00 0.00 C ATOM 225 CG2 ILE A 14 151.806 7.389 -5.486 1.00 0.00 C ATOM 226 CD1 ILE A 14 149.812 8.986 -7.070 1.00 0.00 C ATOM 0 H ILE A 14 149.683 11.082 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 14 149.942 8.899 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 14 152.784 9.274 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 14 151.203 10.560 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 14 151.877 9.198 -7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 14 152.409 7.066 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 14 152.244 7.008 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 14 150.793 7.001 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 14 149.481 9.426 -8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 14 149.815 7.900 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 14 149.131 9.283 -6.272 1.00 0.00 H new ATOM 238 N LEU A 15 152.843 9.500 -2.772 1.00 0.00 N ATOM 239 CA LEU A 15 153.627 9.209 -1.575 1.00 0.00 C ATOM 240 C LEU A 15 152.818 9.474 -0.308 1.00 0.00 C ATOM 241 O LEU A 15 153.026 8.828 0.720 1.00 0.00 O ATOM 242 CB LEU A 15 154.905 10.050 -1.561 1.00 0.00 C ATOM 243 CG LEU A 15 156.043 9.515 -2.432 1.00 0.00 C ATOM 244 CD1 LEU A 15 155.565 9.299 -3.860 1.00 0.00 C ATOM 245 CD2 LEU A 15 157.228 10.468 -2.403 1.00 0.00 C ATOM 0 H LEU A 15 153.312 10.109 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 15 153.892 8.152 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 15 154.660 11.060 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 155.260 10.127 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 15 156.364 8.555 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 156.388 8.918 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 15 154.747 8.579 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 155.217 10.245 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 15 158.029 10.072 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 15 156.920 11.443 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 157.585 10.573 -1.379 1.00 0.00 H new ATOM 257 N LYS A 16 151.894 10.426 -0.388 1.00 0.00 N ATOM 258 CA LYS A 16 151.054 10.773 0.752 1.00 0.00 C ATOM 259 C LYS A 16 150.090 9.638 1.083 1.00 0.00 C ATOM 260 O LYS A 16 149.723 9.441 2.241 1.00 0.00 O ATOM 261 CB LYS A 16 150.272 12.055 0.463 1.00 0.00 C ATOM 262 CG LYS A 16 149.285 11.921 -0.685 1.00 0.00 C ATOM 263 CD LYS A 16 148.690 13.267 -1.070 1.00 0.00 C ATOM 264 CE LYS A 16 147.303 13.110 -1.671 1.00 0.00 C ATOM 265 NZ LYS A 16 146.769 14.404 -2.181 1.00 0.00 N ATOM 0 H LYS A 16 151.708 10.971 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 16 151.702 10.937 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 16 149.732 12.352 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 16 150.975 12.856 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 16 149.787 11.484 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 16 148.486 11.237 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 16 148.636 13.908 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 16 149.344 13.764 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 16 147.340 12.386 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 146.624 12.709 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 145.822 14.254 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 146.710 15.087 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 147.403 14.775 -2.917 1.00 0.00 H new ATOM 279 N GLU A 17 149.683 8.897 0.058 1.00 0.00 N ATOM 280 CA GLU A 17 148.761 7.782 0.240 1.00 0.00 C ATOM 281 C GLU A 17 149.502 6.534 0.712 1.00 0.00 C ATOM 282 O GLU A 17 148.949 5.712 1.443 1.00 0.00 O ATOM 283 CB GLU A 17 148.020 7.486 -1.066 1.00 0.00 C ATOM 284 CG GLU A 17 147.015 6.352 -0.952 1.00 0.00 C ATOM 285 CD GLU A 17 145.765 6.597 -1.775 1.00 0.00 C ATOM 286 OE1 GLU A 17 145.876 6.671 -3.017 1.00 0.00 O ATOM 287 OE2 GLU A 17 144.675 6.716 -1.176 1.00 0.00 O ATOM 0 H GLU A 17 149.977 9.048 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 17 148.037 8.064 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 17 147.502 8.388 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 17 148.748 7.239 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 17 147.483 5.423 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 17 146.737 6.221 0.094 1.00 0.00 H new ATOM 294 N VAL A 18 150.754 6.401 0.289 1.00 0.00 N ATOM 295 CA VAL A 18 151.571 5.254 0.668 1.00 0.00 C ATOM 296 C VAL A 18 151.926 5.296 2.150 1.00 0.00 C ATOM 297 O VAL A 18 152.109 4.257 2.785 1.00 0.00 O ATOM 298 CB VAL A 18 152.871 5.193 -0.157 1.00 0.00 C ATOM 299 CG1 VAL A 18 153.612 3.892 0.108 1.00 0.00 C ATOM 300 CG2 VAL A 18 152.570 5.353 -1.639 1.00 0.00 C ATOM 0 H VAL A 18 151.225 7.073 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 18 150.977 4.363 0.465 1.00 0.00 H new ATOM 0 HB VAL A 18 153.514 6.018 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 18 154.527 3.868 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 18 153.862 3.825 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 18 152.978 3.049 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 153.500 5.307 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 18 151.907 4.551 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 18 152.087 6.315 -1.810 1.00 0.00 H new ATOM 310 N THR A 19 152.023 6.504 2.697 1.00 0.00 N ATOM 311 CA THR A 19 152.357 6.682 4.105 1.00 0.00 C ATOM 312 C THR A 19 151.147 6.419 4.996 1.00 0.00 C ATOM 313 O THR A 19 151.291 6.068 6.167 1.00 0.00 O ATOM 314 CB THR A 19 152.883 8.098 4.348 1.00 0.00 C ATOM 315 OG1 THR A 19 153.802 8.472 3.337 1.00 0.00 O ATOM 316 CG2 THR A 19 153.578 8.257 5.683 1.00 0.00 C ATOM 0 H THR A 19 151.875 7.374 2.186 1.00 0.00 H new ATOM 0 HA THR A 19 153.133 5.960 4.360 1.00 0.00 H new ATOM 0 HB THR A 19 152.002 8.740 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 19 153.316 8.670 2.510 1.00 0.00 H new ATOM 0 HG21 THR A 19 153.927 9.284 5.792 1.00 0.00 H new ATOM 0 HG22 THR A 19 152.880 8.024 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 19 154.429 7.578 5.733 1.00 0.00 H new ATOM 324 N SER A 20 149.953 6.591 4.437 1.00 0.00 N ATOM 325 CA SER A 20 148.719 6.374 5.184 1.00 0.00 C ATOM 326 C SER A 20 148.326 4.900 5.180 1.00 0.00 C ATOM 327 O SER A 20 147.811 4.382 6.171 1.00 0.00 O ATOM 328 CB SER A 20 147.587 7.215 4.591 1.00 0.00 C ATOM 329 OG SER A 20 147.871 8.600 4.695 1.00 0.00 O ATOM 0 H SER A 20 149.814 6.880 3.469 1.00 0.00 H new ATOM 0 HA SER A 20 148.892 6.680 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 20 147.442 6.948 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 20 146.654 6.992 5.109 1.00 0.00 H new ATOM 0 HG SER A 20 148.429 8.877 3.938 1.00 0.00 H new ATOM 335 N VAL A 21 148.567 4.231 4.058 1.00 0.00 N ATOM 336 CA VAL A 21 148.234 2.818 3.925 1.00 0.00 C ATOM 337 C VAL A 21 149.277 1.935 4.604 1.00 0.00 C ATOM 338 O VAL A 21 148.953 0.878 5.144 1.00 0.00 O ATOM 339 CB VAL A 21 148.109 2.408 2.443 1.00 0.00 C ATOM 340 CG1 VAL A 21 149.427 2.620 1.714 1.00 0.00 C ATOM 341 CG2 VAL A 21 147.649 0.963 2.323 1.00 0.00 C ATOM 0 H VAL A 21 148.992 4.644 3.228 1.00 0.00 H new ATOM 0 HA VAL A 21 147.272 2.673 4.416 1.00 0.00 H new ATOM 0 HB VAL A 21 147.357 3.043 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 21 149.317 2.325 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 149.706 3.672 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 21 150.203 2.015 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 21 147.567 0.693 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 148.373 0.309 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 21 146.677 0.849 2.803 1.00 0.00 H new ATOM 351 N VAL A 22 150.531 2.375 4.572 1.00 0.00 N ATOM 352 CA VAL A 22 151.619 1.621 5.183 1.00 0.00 C ATOM 353 C VAL A 22 151.463 1.558 6.700 1.00 0.00 C ATOM 354 O VAL A 22 151.653 0.507 7.309 1.00 0.00 O ATOM 355 CB VAL A 22 152.992 2.234 4.839 1.00 0.00 C ATOM 356 CG1 VAL A 22 153.104 3.647 5.392 1.00 0.00 C ATOM 357 CG2 VAL A 22 154.118 1.357 5.367 1.00 0.00 C ATOM 0 H VAL A 22 150.818 3.248 4.130 1.00 0.00 H new ATOM 0 HA VAL A 22 151.571 0.611 4.776 1.00 0.00 H new ATOM 0 HB VAL A 22 153.081 2.286 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 22 154.080 4.061 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 152.322 4.270 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 152.991 3.624 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 22 155.078 1.806 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 22 154.033 1.268 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 22 154.051 0.367 4.915 1.00 0.00 H new ATOM 367 N GLU A 23 151.115 2.691 7.301 1.00 0.00 N ATOM 368 CA GLU A 23 150.934 2.764 8.747 1.00 0.00 C ATOM 369 C GLU A 23 149.713 1.959 9.186 1.00 0.00 C ATOM 370 O GLU A 23 149.671 1.434 10.298 1.00 0.00 O ATOM 371 CB GLU A 23 150.788 4.221 9.191 1.00 0.00 C ATOM 372 CG GLU A 23 149.518 4.888 8.688 1.00 0.00 C ATOM 373 CD GLU A 23 148.599 5.320 9.815 1.00 0.00 C ATOM 374 OE1 GLU A 23 148.833 6.401 10.392 1.00 0.00 O ATOM 375 OE2 GLU A 23 147.644 4.573 10.120 1.00 0.00 O ATOM 0 H GLU A 23 150.953 3.570 6.810 1.00 0.00 H new ATOM 0 HA GLU A 23 151.817 2.335 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.803 4.263 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.650 4.787 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 23 149.783 5.758 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 23 148.985 4.198 8.034 1.00 0.00 H new ATOM 382 N GLN A 24 148.722 1.867 8.304 1.00 0.00 N ATOM 383 CA GLN A 24 147.501 1.127 8.602 1.00 0.00 C ATOM 384 C GLN A 24 147.756 -0.376 8.582 1.00 0.00 C ATOM 385 O GLN A 24 147.127 -1.133 9.321 1.00 0.00 O ATOM 386 CB GLN A 24 146.407 1.483 7.593 1.00 0.00 C ATOM 387 CG GLN A 24 145.700 2.794 7.900 1.00 0.00 C ATOM 388 CD GLN A 24 144.754 2.684 9.079 1.00 0.00 C ATOM 389 OE1 GLN A 24 143.655 2.143 8.960 1.00 0.00 O ATOM 390 NE2 GLN A 24 145.178 3.200 10.227 1.00 0.00 N ATOM 0 H GLN A 24 148.741 2.295 7.378 1.00 0.00 H new ATOM 0 HA GLN A 24 147.171 1.407 9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 24 146.847 1.542 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 24 145.671 0.680 7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 24 146.444 3.564 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 24 145.143 3.117 7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 24 146.097 3.639 10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 24 144.585 3.157 11.056 1.00 0.00 H new ATOM 399 N ALA A 25 148.683 -0.802 7.730 1.00 0.00 N ATOM 400 CA ALA A 25 149.021 -2.216 7.613 1.00 0.00 C ATOM 401 C ALA A 25 149.947 -2.655 8.741 1.00 0.00 C ATOM 402 O ALA A 25 149.749 -3.711 9.345 1.00 0.00 O ATOM 403 CB ALA A 25 149.662 -2.493 6.261 1.00 0.00 C ATOM 0 H ALA A 25 149.213 -0.189 7.111 1.00 0.00 H new ATOM 0 HA ALA A 25 148.100 -2.793 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 25 149.910 -3.552 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 148.965 -2.226 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 25 150.571 -1.900 6.161 1.00 0.00 H new ATOM 409 N TRP A 26 150.959 -1.840 9.024 1.00 0.00 N ATOM 410 CA TRP A 26 151.915 -2.148 10.082 1.00 0.00 C ATOM 411 C TRP A 26 151.207 -2.383 11.413 1.00 0.00 C ATOM 412 O TRP A 26 151.714 -3.099 12.277 1.00 0.00 O ATOM 413 CB TRP A 26 152.934 -1.016 10.224 1.00 0.00 C ATOM 414 CG TRP A 26 154.317 -1.503 10.522 1.00 0.00 C ATOM 415 CD1 TRP A 26 154.926 -1.546 11.742 1.00 0.00 C ATOM 416 CD2 TRP A 26 155.267 -2.020 9.582 1.00 0.00 C ATOM 417 NE1 TRP A 26 156.196 -2.056 11.620 1.00 0.00 N ATOM 418 CE2 TRP A 26 156.427 -2.354 10.303 1.00 0.00 C ATOM 419 CE3 TRP A 26 155.252 -2.236 8.202 1.00 0.00 C ATOM 420 CZ2 TRP A 26 157.553 -2.889 9.685 1.00 0.00 C ATOM 421 CZ3 TRP A 26 156.372 -2.765 7.600 1.00 0.00 C ATOM 422 CH2 TRP A 26 157.505 -3.086 8.338 1.00 0.00 C ATOM 0 H TRP A 26 151.138 -0.962 8.536 1.00 0.00 H new ATOM 0 HA TRP A 26 152.436 -3.065 9.806 1.00 0.00 H new ATOM 0 HB2 TRP A 26 152.951 -0.434 9.303 1.00 0.00 H new ATOM 0 HB3 TRP A 26 152.613 -0.344 11.020 1.00 0.00 H new ATOM 0 HD1 TRP A 26 154.475 -1.226 12.670 1.00 0.00 H new ATOM 0 HE1 TRP A 26 156.858 -2.191 12.384 1.00 0.00 H new ATOM 0 HE3 TRP A 26 154.377 -1.992 7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 158.436 -3.140 10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 156.370 -2.934 6.533 1.00 0.00 H new ATOM 0 HH2 TRP A 26 158.365 -3.500 7.833 1.00 0.00 H new ATOM 433 N LYS A 27 150.032 -1.781 11.572 1.00 0.00 N ATOM 434 CA LYS A 27 149.257 -1.932 12.797 1.00 0.00 C ATOM 435 C LYS A 27 148.930 -3.400 13.054 1.00 0.00 C ATOM 436 O LYS A 27 148.793 -3.825 14.201 1.00 0.00 O ATOM 437 CB LYS A 27 147.966 -1.117 12.714 1.00 0.00 C ATOM 438 CG LYS A 27 148.189 0.386 12.771 1.00 0.00 C ATOM 439 CD LYS A 27 148.031 0.919 14.185 1.00 0.00 C ATOM 440 CE LYS A 27 148.549 2.344 14.304 1.00 0.00 C ATOM 441 NZ LYS A 27 148.546 2.819 15.715 1.00 0.00 N ATOM 0 H LYS A 27 149.597 -1.185 10.868 1.00 0.00 H new ATOM 0 HA LYS A 27 149.859 -1.560 13.626 1.00 0.00 H new ATOM 0 HB2 LYS A 27 147.449 -1.364 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 147.309 -1.409 13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 149.187 0.621 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 27 147.479 0.885 12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 27 146.980 0.888 14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 27 148.570 0.275 14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 149.562 2.397 13.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 147.932 3.006 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 148.906 3.794 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 147.576 2.793 16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 149.155 2.202 16.290 1.00 0.00 H new ATOM 455 N LEU A 28 148.806 -4.169 11.976 1.00 0.00 N ATOM 456 CA LEU A 28 148.497 -5.589 12.082 1.00 0.00 C ATOM 457 C LEU A 28 149.753 -6.397 12.406 1.00 0.00 C ATOM 458 O LEU A 28 150.868 -5.979 12.093 1.00 0.00 O ATOM 459 CB LEU A 28 147.877 -6.094 10.777 1.00 0.00 C ATOM 460 CG LEU A 28 146.777 -5.201 10.194 1.00 0.00 C ATOM 461 CD1 LEU A 28 146.987 -4.996 8.701 1.00 0.00 C ATOM 462 CD2 LEU A 28 145.405 -5.802 10.462 1.00 0.00 C ATOM 0 H LEU A 28 148.915 -3.831 11.020 1.00 0.00 H new ATOM 0 HA LEU A 28 147.782 -5.721 12.894 1.00 0.00 H new ATOM 0 HB2 LEU A 28 148.668 -6.202 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 28 147.464 -7.088 10.949 1.00 0.00 H new ATOM 0 HG LEU A 28 146.830 -4.229 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 28 146.195 -4.359 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 147.953 -4.521 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 146.963 -5.961 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 144.636 -5.155 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 145.343 -6.787 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 145.252 -5.895 11.537 1.00 0.00 H new ATOM 474 N PRO A 29 149.588 -7.570 13.040 1.00 0.00 N ATOM 475 CA PRO A 29 150.711 -8.440 13.407 1.00 0.00 C ATOM 476 C PRO A 29 151.577 -8.808 12.206 1.00 0.00 C ATOM 477 O PRO A 29 152.735 -8.400 12.116 1.00 0.00 O ATOM 478 CB PRO A 29 150.035 -9.691 13.986 1.00 0.00 C ATOM 479 CG PRO A 29 148.614 -9.609 13.543 1.00 0.00 C ATOM 480 CD PRO A 29 148.299 -8.147 13.450 1.00 0.00 C ATOM 0 HA PRO A 29 151.387 -7.949 14.107 1.00 0.00 H new ATOM 0 HB2 PRO A 29 150.510 -10.601 13.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 150.108 -9.710 15.073 1.00 0.00 H new ATOM 0 HG2 PRO A 29 148.476 -10.101 12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 29 147.954 -10.107 14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 147.514 -7.946 12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 29 147.959 -7.744 14.404 1.00 0.00 H new ATOM 488 N GLU A 30 151.010 -9.582 11.286 1.00 0.00 N ATOM 489 CA GLU A 30 151.734 -10.005 10.093 1.00 0.00 C ATOM 490 C GLU A 30 150.811 -10.735 9.123 1.00 0.00 C ATOM 491 O GLU A 30 150.891 -10.542 7.909 1.00 0.00 O ATOM 492 CB GLU A 30 152.907 -10.908 10.476 1.00 0.00 C ATOM 493 CG GLU A 30 152.503 -12.097 11.333 1.00 0.00 C ATOM 494 CD GLU A 30 153.503 -12.387 12.435 1.00 0.00 C ATOM 495 OE1 GLU A 30 154.708 -12.503 12.129 1.00 0.00 O ATOM 496 OE2 GLU A 30 153.081 -12.497 13.606 1.00 0.00 O ATOM 0 H GLU A 30 150.052 -9.929 11.344 1.00 0.00 H new ATOM 0 HA GLU A 30 152.117 -9.113 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 30 153.387 -11.272 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 30 153.649 -10.318 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 151.525 -11.906 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 30 152.400 -12.978 10.700 1.00 0.00 H new ATOM 503 N SER A 31 149.936 -11.577 9.665 1.00 0.00 N ATOM 504 CA SER A 31 148.998 -12.338 8.848 1.00 0.00 C ATOM 505 C SER A 31 148.150 -11.410 7.983 1.00 0.00 C ATOM 506 O SER A 31 148.015 -11.619 6.777 1.00 0.00 O ATOM 507 CB SER A 31 148.094 -13.195 9.736 1.00 0.00 C ATOM 508 OG SER A 31 147.650 -12.466 10.867 1.00 0.00 O ATOM 0 H SER A 31 149.857 -11.749 10.667 1.00 0.00 H new ATOM 0 HA SER A 31 149.574 -12.990 8.191 1.00 0.00 H new ATOM 0 HB2 SER A 31 147.234 -13.539 9.161 1.00 0.00 H new ATOM 0 HB3 SER A 31 148.635 -14.083 10.062 1.00 0.00 H new ATOM 0 HG SER A 31 147.073 -13.035 11.417 1.00 0.00 H new ATOM 514 N GLU A 32 147.581 -10.386 8.609 1.00 0.00 N ATOM 515 CA GLU A 32 146.746 -9.423 7.898 1.00 0.00 C ATOM 516 C GLU A 32 147.571 -8.238 7.398 1.00 0.00 C ATOM 517 O GLU A 32 147.087 -7.428 6.608 1.00 0.00 O ATOM 518 CB GLU A 32 145.618 -8.927 8.805 1.00 0.00 C ATOM 519 CG GLU A 32 144.391 -9.824 8.798 1.00 0.00 C ATOM 520 CD GLU A 32 143.154 -9.121 9.322 1.00 0.00 C ATOM 521 OE1 GLU A 32 142.499 -8.407 8.535 1.00 0.00 O ATOM 522 OE2 GLU A 32 142.842 -9.284 10.520 1.00 0.00 O ATOM 0 H GLU A 32 147.682 -10.201 9.607 1.00 0.00 H new ATOM 0 HA GLU A 32 146.316 -9.928 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.993 -8.846 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.326 -7.924 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 144.205 -10.171 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 32 144.587 -10.707 9.405 1.00 0.00 H new ATOM 529 N ARG A 33 148.815 -8.139 7.862 1.00 0.00 N ATOM 530 CA ARG A 33 149.696 -7.049 7.457 1.00 0.00 C ATOM 531 C ARG A 33 150.312 -7.320 6.086 1.00 0.00 C ATOM 532 O ARG A 33 150.260 -6.476 5.193 1.00 0.00 O ATOM 533 CB ARG A 33 150.809 -6.855 8.490 1.00 0.00 C ATOM 534 CG ARG A 33 151.544 -5.531 8.351 1.00 0.00 C ATOM 535 CD ARG A 33 152.859 -5.698 7.606 1.00 0.00 C ATOM 536 NE ARG A 33 153.959 -6.038 8.507 1.00 0.00 N ATOM 537 CZ ARG A 33 155.128 -6.527 8.098 1.00 0.00 C ATOM 538 NH1 ARG A 33 155.353 -6.735 6.807 1.00 0.00 N ATOM 539 NH2 ARG A 33 156.073 -6.809 8.984 1.00 0.00 N ATOM 0 H ARG A 33 149.234 -8.799 8.517 1.00 0.00 H new ATOM 0 HA ARG A 33 149.097 -6.141 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 33 150.380 -6.920 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 33 151.526 -7.671 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 33 150.913 -4.817 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 33 151.735 -5.115 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 33 152.753 -6.479 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 33 153.096 -4.775 7.077 1.00 0.00 H new ATOM 0 HE ARG A 33 153.823 -5.892 9.507 1.00 0.00 H new ATOM 0 HH11 ARG A 33 154.628 -6.520 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 33 156.250 -7.110 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 33 155.904 -6.651 9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 33 156.969 -7.184 8.672 1.00 0.00 H new ATOM 553 N LYS A 34 150.902 -8.502 5.932 1.00 0.00 N ATOM 554 CA LYS A 34 151.539 -8.888 4.675 1.00 0.00 C ATOM 555 C LYS A 34 150.571 -8.776 3.501 1.00 0.00 C ATOM 556 O LYS A 34 150.934 -8.284 2.432 1.00 0.00 O ATOM 557 CB LYS A 34 152.074 -10.317 4.773 1.00 0.00 C ATOM 558 CG LYS A 34 153.487 -10.400 5.332 1.00 0.00 C ATOM 559 CD LYS A 34 153.599 -11.448 6.431 1.00 0.00 C ATOM 560 CE LYS A 34 154.513 -12.592 6.024 1.00 0.00 C ATOM 561 NZ LYS A 34 155.949 -12.200 6.071 1.00 0.00 N ATOM 0 H LYS A 34 150.953 -9.211 6.663 1.00 0.00 H new ATOM 0 HA LYS A 34 152.367 -8.202 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 151.407 -10.904 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 34 152.056 -10.772 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 34 154.183 -10.641 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 34 153.780 -9.427 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 153.980 -10.983 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 34 152.608 -11.839 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 34 154.347 -13.442 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 154.259 -12.919 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 156.539 -13.008 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 156.113 -11.405 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 156.199 -11.913 7.039 1.00 0.00 H new ATOM 575 N LYS A 35 149.340 -9.239 3.701 1.00 0.00 N ATOM 576 CA LYS A 35 148.326 -9.193 2.652 1.00 0.00 C ATOM 577 C LYS A 35 148.157 -7.778 2.102 1.00 0.00 C ATOM 578 O LYS A 35 147.716 -7.594 0.968 1.00 0.00 O ATOM 579 CB LYS A 35 146.987 -9.710 3.183 1.00 0.00 C ATOM 580 CG LYS A 35 146.558 -9.062 4.488 1.00 0.00 C ATOM 581 CD LYS A 35 145.081 -9.294 4.767 1.00 0.00 C ATOM 582 CE LYS A 35 144.392 -8.017 5.222 1.00 0.00 C ATOM 583 NZ LYS A 35 142.965 -8.253 5.576 1.00 0.00 N ATOM 0 H LYS A 35 149.021 -9.650 4.578 1.00 0.00 H new ATOM 0 HA LYS A 35 148.662 -9.836 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 35 146.217 -9.537 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 35 147.055 -10.788 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 35 147.152 -9.465 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 35 146.758 -7.991 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 35 144.594 -9.670 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 35 144.971 -10.061 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 35 144.918 -7.608 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 35 144.451 -7.270 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 142.382 -7.476 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 142.649 -9.153 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 142.866 -8.295 6.610 1.00 0.00 H new ATOM 597 N ILE A 36 148.510 -6.782 2.909 1.00 0.00 N ATOM 598 CA ILE A 36 148.394 -5.388 2.493 1.00 0.00 C ATOM 599 C ILE A 36 149.578 -4.973 1.626 1.00 0.00 C ATOM 600 O ILE A 36 149.405 -4.357 0.575 1.00 0.00 O ATOM 601 CB ILE A 36 148.307 -4.436 3.704 1.00 0.00 C ATOM 602 CG1 ILE A 36 147.390 -5.021 4.781 1.00 0.00 C ATOM 603 CG2 ILE A 36 147.812 -3.066 3.267 1.00 0.00 C ATOM 604 CD1 ILE A 36 145.995 -5.334 4.283 1.00 0.00 C ATOM 0 H ILE A 36 148.877 -6.913 3.851 1.00 0.00 H new ATOM 0 HA ILE A 36 147.473 -5.312 1.915 1.00 0.00 H new ATOM 0 HB ILE A 36 149.305 -4.323 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 36 147.840 -5.933 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 36 147.322 -4.317 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 36 147.756 -2.406 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 148.502 -2.646 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.823 -3.162 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 36 145.401 -5.745 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 145.526 -4.421 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 36 146.052 -6.062 3.474 1.00 0.00 H new ATOM 616 N ILE A 37 150.782 -5.315 2.074 1.00 0.00 N ATOM 617 CA ILE A 37 151.995 -4.978 1.340 1.00 0.00 C ATOM 618 C ILE A 37 152.068 -5.736 0.018 1.00 0.00 C ATOM 619 O ILE A 37 152.602 -5.232 -0.970 1.00 0.00 O ATOM 620 CB ILE A 37 153.259 -5.285 2.167 1.00 0.00 C ATOM 621 CG1 ILE A 37 153.145 -4.670 3.562 1.00 0.00 C ATOM 622 CG2 ILE A 37 154.500 -4.768 1.453 1.00 0.00 C ATOM 623 CD1 ILE A 37 152.912 -3.175 3.547 1.00 0.00 C ATOM 0 H ILE A 37 150.943 -5.826 2.942 1.00 0.00 H new ATOM 0 HA ILE A 37 151.954 -3.907 1.139 1.00 0.00 H new ATOM 0 HB ILE A 37 153.350 -6.366 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 37 152.326 -5.152 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 37 154.058 -4.882 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 37 155.384 -4.993 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 37 154.587 -5.251 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 37 154.419 -3.690 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 37 152.841 -2.807 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 37 153.742 -2.682 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 37 151.984 -2.957 3.018 1.00 0.00 H new ATOM 635 N ARG A 38 151.528 -6.951 0.007 1.00 0.00 N ATOM 636 CA ARG A 38 151.534 -7.778 -1.194 1.00 0.00 C ATOM 637 C ARG A 38 150.686 -7.146 -2.293 1.00 0.00 C ATOM 638 O ARG A 38 151.001 -7.262 -3.477 1.00 0.00 O ATOM 639 CB ARG A 38 151.020 -9.184 -0.874 1.00 0.00 C ATOM 640 CG ARG A 38 151.939 -10.291 -1.366 1.00 0.00 C ATOM 641 CD ARG A 38 151.281 -11.657 -1.257 1.00 0.00 C ATOM 642 NE ARG A 38 150.918 -11.983 0.122 1.00 0.00 N ATOM 643 CZ ARG A 38 149.720 -11.746 0.654 1.00 0.00 C ATOM 644 NH1 ARG A 38 148.761 -11.177 -0.066 1.00 0.00 N ATOM 645 NH2 ARG A 38 149.481 -12.080 1.915 1.00 0.00 N ATOM 0 H ARG A 38 151.081 -7.384 0.815 1.00 0.00 H new ATOM 0 HA ARG A 38 152.561 -7.850 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 38 150.894 -9.280 0.204 1.00 0.00 H new ATOM 0 HB3 ARG A 38 150.035 -9.313 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 38 152.214 -10.101 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 152.861 -10.284 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 150.388 -11.680 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 38 151.960 -12.418 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 38 151.626 -12.419 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 38 148.938 -10.917 -1.036 1.00 0.00 H new ATOM 0 HH12 ARG A 38 147.847 -11.000 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 38 150.213 -12.517 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 38 148.565 -11.900 2.325 1.00 0.00 H new ATOM 659 N ARG A 39 149.610 -6.477 -1.893 1.00 0.00 N ATOM 660 CA ARG A 39 148.717 -5.827 -2.846 1.00 0.00 C ATOM 661 C ARG A 39 149.370 -4.581 -3.438 1.00 0.00 C ATOM 662 O ARG A 39 149.457 -4.432 -4.656 1.00 0.00 O ATOM 663 CB ARG A 39 147.398 -5.452 -2.168 1.00 0.00 C ATOM 664 CG ARG A 39 146.190 -5.570 -3.082 1.00 0.00 C ATOM 665 CD ARG A 39 145.655 -6.993 -3.122 1.00 0.00 C ATOM 666 NE ARG A 39 146.643 -7.937 -3.642 1.00 0.00 N ATOM 667 CZ ARG A 39 147.447 -8.677 -2.878 1.00 0.00 C ATOM 668 NH1 ARG A 39 147.384 -8.596 -1.555 1.00 0.00 N ATOM 669 NH2 ARG A 39 148.316 -9.503 -3.443 1.00 0.00 N ATOM 0 H ARG A 39 149.335 -6.371 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 39 148.514 -6.530 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 39 147.250 -6.094 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 147.466 -4.428 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 39 145.406 -4.895 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 39 146.463 -5.255 -4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 39 145.357 -7.296 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 39 144.760 -7.026 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 39 146.722 -8.036 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 39 146.716 -7.964 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 39 148.003 -9.166 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 39 148.368 -9.571 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 39 148.933 -10.071 -2.861 1.00 0.00 H new ATOM 683 N LEU A 40 149.828 -3.689 -2.565 1.00 0.00 N ATOM 684 CA LEU A 40 150.473 -2.455 -2.999 1.00 0.00 C ATOM 685 C LEU A 40 151.768 -2.754 -3.747 1.00 0.00 C ATOM 686 O LEU A 40 152.048 -2.157 -4.787 1.00 0.00 O ATOM 687 CB LEU A 40 150.759 -1.555 -1.795 1.00 0.00 C ATOM 688 CG LEU A 40 149.677 -0.518 -1.491 1.00 0.00 C ATOM 689 CD1 LEU A 40 149.635 0.544 -2.577 1.00 0.00 C ATOM 690 CD2 LEU A 40 148.321 -1.191 -1.347 1.00 0.00 C ATOM 0 H LEU A 40 149.764 -3.798 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 40 149.795 -1.937 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 40 150.896 -2.184 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 40 151.702 -1.035 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 40 149.921 -0.032 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 148.859 1.273 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 40 150.601 1.047 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 40 149.415 0.075 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 40 147.563 -0.439 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 40 148.069 -1.704 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 40 148.358 -1.913 -0.532 1.00 0.00 H new ATOM 702 N TYR A 41 152.554 -3.679 -3.209 1.00 0.00 N ATOM 703 CA TYR A 41 153.823 -4.059 -3.820 1.00 0.00 C ATOM 704 C TYR A 41 153.606 -4.687 -5.195 1.00 0.00 C ATOM 705 O TYR A 41 154.484 -4.635 -6.056 1.00 0.00 O ATOM 706 CB TYR A 41 154.573 -5.036 -2.913 1.00 0.00 C ATOM 707 CG TYR A 41 155.969 -5.365 -3.394 1.00 0.00 C ATOM 708 CD1 TYR A 41 156.169 -6.147 -4.525 1.00 0.00 C ATOM 709 CD2 TYR A 41 157.087 -4.897 -2.714 1.00 0.00 C ATOM 710 CE1 TYR A 41 157.442 -6.452 -4.966 1.00 0.00 C ATOM 711 CE2 TYR A 41 158.364 -5.197 -3.150 1.00 0.00 C ATOM 712 CZ TYR A 41 158.536 -5.975 -4.275 1.00 0.00 C ATOM 713 OH TYR A 41 159.806 -6.277 -4.711 1.00 0.00 O ATOM 0 H TYR A 41 152.335 -4.181 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 41 154.420 -3.156 -3.947 1.00 0.00 H new ATOM 0 HB2 TYR A 41 154.634 -4.613 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 41 153.999 -5.959 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 41 155.315 -6.523 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 41 156.956 -4.289 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 41 157.580 -7.061 -5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 41 159.223 -4.824 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 41 160.464 -5.863 -4.114 1.00 0.00 H new ATOM 723 N LEU A 42 152.435 -5.285 -5.394 1.00 0.00 N ATOM 724 CA LEU A 42 152.113 -5.929 -6.663 1.00 0.00 C ATOM 725 C LEU A 42 151.426 -4.959 -7.621 1.00 0.00 C ATOM 726 O LEU A 42 151.756 -4.909 -8.806 1.00 0.00 O ATOM 727 CB LEU A 42 151.217 -7.147 -6.426 1.00 0.00 C ATOM 728 CG LEU A 42 151.929 -8.371 -5.846 1.00 0.00 C ATOM 729 CD1 LEU A 42 150.919 -9.434 -5.442 1.00 0.00 C ATOM 730 CD2 LEU A 42 152.924 -8.934 -6.851 1.00 0.00 C ATOM 0 H LEU A 42 151.695 -5.337 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 42 153.049 -6.252 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 42 150.411 -6.860 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 42 150.755 -7.429 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 42 152.476 -8.062 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 42 151.443 -10.297 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 42 150.244 -9.027 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 42 150.344 -9.741 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 42 153.421 -9.804 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 42 152.397 -9.228 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 153.667 -8.174 -7.093 1.00 0.00 H new ATOM 742 N LYS A 43 150.467 -4.197 -7.106 1.00 0.00 N ATOM 743 CA LYS A 43 149.735 -3.238 -7.927 1.00 0.00 C ATOM 744 C LYS A 43 150.649 -2.115 -8.416 1.00 0.00 C ATOM 745 O LYS A 43 150.393 -1.504 -9.454 1.00 0.00 O ATOM 746 CB LYS A 43 148.549 -2.661 -7.144 1.00 0.00 C ATOM 747 CG LYS A 43 148.930 -1.576 -6.144 1.00 0.00 C ATOM 748 CD LYS A 43 148.371 -0.218 -6.549 1.00 0.00 C ATOM 749 CE LYS A 43 147.297 0.254 -5.582 1.00 0.00 C ATOM 750 NZ LYS A 43 146.336 -0.831 -5.244 1.00 0.00 N ATOM 0 H LYS A 43 150.179 -4.224 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 43 149.356 -3.765 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 43 147.827 -2.251 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 43 148.051 -3.471 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 148.556 -1.844 -5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 43 150.016 -1.515 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 43 149.178 0.513 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 43 147.955 -0.280 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 43 147.767 0.620 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 43 146.757 1.093 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 145.392 -0.423 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 146.293 -1.514 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 146.650 -1.316 -4.379 1.00 0.00 H new ATOM 764 N TRP A 44 151.712 -1.846 -7.664 1.00 0.00 N ATOM 765 CA TRP A 44 152.658 -0.796 -8.027 1.00 0.00 C ATOM 766 C TRP A 44 153.868 -1.379 -8.752 1.00 0.00 C ATOM 767 O TRP A 44 155.007 -0.987 -8.494 1.00 0.00 O ATOM 768 CB TRP A 44 153.113 -0.036 -6.780 1.00 0.00 C ATOM 769 CG TRP A 44 152.119 0.982 -6.310 1.00 0.00 C ATOM 770 CD1 TRP A 44 151.248 0.858 -5.267 1.00 0.00 C ATOM 771 CD2 TRP A 44 151.895 2.282 -6.868 1.00 0.00 C ATOM 772 NE1 TRP A 44 150.496 2.001 -5.142 1.00 0.00 N ATOM 773 CE2 TRP A 44 150.874 2.889 -6.114 1.00 0.00 C ATOM 774 CE3 TRP A 44 152.457 2.993 -7.932 1.00 0.00 C ATOM 775 CZ2 TRP A 44 150.407 4.172 -6.390 1.00 0.00 C ATOM 776 CZ3 TRP A 44 151.990 4.265 -8.203 1.00 0.00 C ATOM 777 CH2 TRP A 44 150.974 4.842 -7.435 1.00 0.00 C ATOM 0 H TRP A 44 151.940 -2.340 -6.801 1.00 0.00 H new ATOM 0 HA TRP A 44 152.152 -0.104 -8.701 1.00 0.00 H new ATOM 0 HB2 TRP A 44 153.300 -0.749 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 44 154.060 0.461 -6.991 1.00 0.00 H new ATOM 0 HD1 TRP A 44 151.162 -0.012 -4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 44 149.774 2.162 -4.440 1.00 0.00 H new ATOM 0 HE3 TRP A 44 153.242 2.556 -8.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 149.623 4.621 -5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 152.417 4.823 -9.023 1.00 0.00 H new ATOM 0 HH2 TRP A 44 150.631 5.838 -7.674 1.00 0.00 H new ATOM 788 N HIS A 45 153.614 -2.314 -9.661 1.00 0.00 N ATOM 789 CA HIS A 45 154.683 -2.948 -10.424 1.00 0.00 C ATOM 790 C HIS A 45 154.878 -2.250 -11.770 1.00 0.00 C ATOM 791 O HIS A 45 153.908 -1.856 -12.417 1.00 0.00 O ATOM 792 CB HIS A 45 154.369 -4.428 -10.646 1.00 0.00 C ATOM 793 CG HIS A 45 155.583 -5.304 -10.653 1.00 0.00 C ATOM 794 ND1 HIS A 45 156.119 -5.840 -11.804 1.00 0.00 N ATOM 795 CD2 HIS A 45 156.368 -5.738 -9.638 1.00 0.00 C ATOM 796 CE1 HIS A 45 157.179 -6.566 -11.498 1.00 0.00 C ATOM 797 NE2 HIS A 45 157.353 -6.520 -10.190 1.00 0.00 N ATOM 0 H HIS A 45 152.678 -2.650 -9.887 1.00 0.00 H new ATOM 0 HA HIS A 45 155.607 -2.861 -9.852 1.00 0.00 H new ATOM 0 HB2 HIS A 45 153.690 -4.768 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 45 153.844 -4.541 -11.595 1.00 0.00 H new ATOM 0 HD2 HIS A 45 156.243 -5.511 -8.590 1.00 0.00 H new ATOM 0 HE1 HIS A 45 157.798 -7.106 -12.199 1.00 0.00 H new ATOM 0 HE2 HIS A 45 158.097 -6.989 -9.674 1.00 0.00 H new ATOM 806 N PRO A 46 156.139 -2.088 -12.211 1.00 0.00 N ATOM 807 CA PRO A 46 156.448 -1.434 -13.487 1.00 0.00 C ATOM 808 C PRO A 46 156.007 -2.265 -14.686 1.00 0.00 C ATOM 809 O PRO A 46 155.712 -1.726 -15.752 1.00 0.00 O ATOM 810 CB PRO A 46 157.973 -1.300 -13.460 1.00 0.00 C ATOM 811 CG PRO A 46 158.433 -2.380 -12.544 1.00 0.00 C ATOM 812 CD PRO A 46 157.357 -2.529 -11.505 1.00 0.00 C ATOM 0 HA PRO A 46 155.926 -0.483 -13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 46 158.398 -1.419 -14.457 1.00 0.00 H new ATOM 0 HB3 PRO A 46 158.278 -0.318 -13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 46 158.584 -3.313 -13.086 1.00 0.00 H new ATOM 0 HG3 PRO A 46 159.387 -2.121 -12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 46 157.271 -3.559 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 46 157.558 -1.915 -10.627 1.00 0.00 H new ATOM 820 N ASP A 47 155.966 -3.581 -14.505 1.00 0.00 N ATOM 821 CA ASP A 47 155.561 -4.488 -15.572 1.00 0.00 C ATOM 822 C ASP A 47 154.052 -4.432 -15.792 1.00 0.00 C ATOM 823 O ASP A 47 153.570 -4.637 -16.906 1.00 0.00 O ATOM 824 CB ASP A 47 155.988 -5.920 -15.244 1.00 0.00 C ATOM 825 CG ASP A 47 156.346 -6.715 -16.484 1.00 0.00 C ATOM 826 OD1 ASP A 47 156.986 -6.144 -17.392 1.00 0.00 O ATOM 827 OD2 ASP A 47 155.986 -7.909 -16.547 1.00 0.00 O ATOM 0 H ASP A 47 156.209 -4.043 -13.629 1.00 0.00 H new ATOM 0 HA ASP A 47 156.055 -4.171 -16.490 1.00 0.00 H new ATOM 0 HB2 ASP A 47 156.845 -5.895 -14.571 1.00 0.00 H new ATOM 0 HB3 ASP A 47 155.181 -6.424 -14.713 1.00 0.00 H new ATOM 832 N LYS A 48 153.313 -4.154 -14.723 1.00 0.00 N ATOM 833 CA LYS A 48 151.859 -4.073 -14.801 1.00 0.00 C ATOM 834 C LYS A 48 151.400 -2.623 -14.920 1.00 0.00 C ATOM 835 O LYS A 48 150.407 -2.223 -14.312 1.00 0.00 O ATOM 836 CB LYS A 48 151.225 -4.721 -13.569 1.00 0.00 C ATOM 837 CG LYS A 48 151.195 -6.241 -13.631 1.00 0.00 C ATOM 838 CD LYS A 48 149.834 -6.753 -14.073 1.00 0.00 C ATOM 839 CE LYS A 48 149.711 -8.255 -13.867 1.00 0.00 C ATOM 840 NZ LYS A 48 149.395 -8.598 -12.453 1.00 0.00 N ATOM 0 H LYS A 48 153.696 -3.981 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 48 151.537 -4.611 -15.693 1.00 0.00 H new ATOM 0 HB2 LYS A 48 151.777 -4.412 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 150.206 -4.350 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 48 151.960 -6.593 -14.323 1.00 0.00 H new ATOM 0 HG3 LYS A 48 151.439 -6.651 -12.651 1.00 0.00 H new ATOM 0 HD2 LYS A 48 149.052 -6.242 -13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 48 149.678 -6.515 -15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 48 148.931 -8.648 -14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 48 150.643 -8.739 -14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 149.320 -9.631 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 150.152 -8.246 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 148.493 -8.158 -12.182 1.00 0.00 H new ATOM 854 N ASN A 49 152.129 -1.840 -15.708 1.00 0.00 N ATOM 855 CA ASN A 49 151.795 -0.434 -15.907 1.00 0.00 C ATOM 856 C ASN A 49 151.785 -0.084 -17.395 1.00 0.00 C ATOM 857 O ASN A 49 152.730 -0.397 -18.119 1.00 0.00 O ATOM 858 CB ASN A 49 152.794 0.457 -15.167 1.00 0.00 C ATOM 859 CG ASN A 49 152.425 0.647 -13.708 1.00 0.00 C ATOM 860 OD1 ASN A 49 151.249 0.770 -13.364 1.00 0.00 O ATOM 861 ND2 ASN A 49 153.430 0.674 -12.841 1.00 0.00 N ATOM 0 H ASN A 49 152.954 -2.154 -16.219 1.00 0.00 H new ATOM 0 HA ASN A 49 150.797 -0.260 -15.504 1.00 0.00 H new ATOM 0 HB2 ASN A 49 153.789 0.017 -15.233 1.00 0.00 H new ATOM 0 HB3 ASN A 49 152.842 1.430 -15.657 1.00 0.00 H new ATOM 0 HD21 ASN A 49 153.242 0.801 -11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 49 154.390 0.568 -13.169 1.00 0.00 H new ATOM 868 N PRO A 50 150.710 0.569 -17.878 1.00 0.00 N ATOM 869 CA PRO A 50 150.590 0.951 -19.289 1.00 0.00 C ATOM 870 C PRO A 50 151.798 1.738 -19.789 1.00 0.00 C ATOM 871 O PRO A 50 152.537 1.270 -20.655 1.00 0.00 O ATOM 872 CB PRO A 50 149.331 1.822 -19.320 1.00 0.00 C ATOM 873 CG PRO A 50 148.533 1.376 -18.145 1.00 0.00 C ATOM 874 CD PRO A 50 149.531 0.981 -17.093 1.00 0.00 C ATOM 0 HA PRO A 50 150.536 0.078 -19.939 1.00 0.00 H new ATOM 0 HB2 PRO A 50 149.580 2.881 -19.250 1.00 0.00 H new ATOM 0 HB3 PRO A 50 148.778 1.685 -20.249 1.00 0.00 H new ATOM 0 HG2 PRO A 50 147.885 2.176 -17.787 1.00 0.00 H new ATOM 0 HG3 PRO A 50 147.889 0.537 -18.407 1.00 0.00 H new ATOM 0 HD2 PRO A 50 149.762 1.812 -16.426 1.00 0.00 H new ATOM 0 HD3 PRO A 50 149.158 0.167 -16.471 1.00 0.00 H new ATOM 882 N GLU A 51 151.993 2.935 -19.244 1.00 0.00 N ATOM 883 CA GLU A 51 153.112 3.782 -19.644 1.00 0.00 C ATOM 884 C GLU A 51 153.625 4.609 -18.469 1.00 0.00 C ATOM 885 O GLU A 51 154.163 5.701 -18.655 1.00 0.00 O ATOM 886 CB GLU A 51 152.693 4.709 -20.786 1.00 0.00 C ATOM 887 CG GLU A 51 152.549 4.002 -22.124 1.00 0.00 C ATOM 888 CD GLU A 51 153.876 3.828 -22.838 1.00 0.00 C ATOM 889 OE1 GLU A 51 154.756 4.699 -22.674 1.00 0.00 O ATOM 890 OE2 GLU A 51 154.034 2.822 -23.560 1.00 0.00 O ATOM 0 H GLU A 51 151.392 3.340 -18.526 1.00 0.00 H new ATOM 0 HA GLU A 51 153.918 3.132 -19.985 1.00 0.00 H new ATOM 0 HB2 GLU A 51 151.744 5.181 -20.530 1.00 0.00 H new ATOM 0 HB3 GLU A 51 153.429 5.507 -20.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 152.094 3.024 -21.967 1.00 0.00 H new ATOM 0 HG3 GLU A 51 151.870 4.570 -22.760 1.00 0.00 H new ATOM 897 N ASN A 52 153.460 4.084 -17.259 1.00 0.00 N ATOM 898 CA ASN A 52 153.911 4.778 -16.057 1.00 0.00 C ATOM 899 C ASN A 52 154.995 3.979 -15.344 1.00 0.00 C ATOM 900 O ASN A 52 154.747 3.362 -14.307 1.00 0.00 O ATOM 901 CB ASN A 52 152.734 5.031 -15.111 1.00 0.00 C ATOM 902 CG ASN A 52 151.857 3.806 -14.935 1.00 0.00 C ATOM 903 OD1 ASN A 52 151.451 3.173 -15.910 1.00 0.00 O ATOM 904 ND2 ASN A 52 151.559 3.466 -13.687 1.00 0.00 N ATOM 0 H ASN A 52 153.018 3.181 -17.085 1.00 0.00 H new ATOM 0 HA ASN A 52 154.332 5.737 -16.358 1.00 0.00 H new ATOM 0 HB2 ASN A 52 153.114 5.344 -14.139 1.00 0.00 H new ATOM 0 HB3 ASN A 52 152.131 5.853 -15.498 1.00 0.00 H new ATOM 0 HD21 ASN A 52 150.972 2.652 -13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 52 151.917 4.019 -12.908 1.00 0.00 H new ATOM 911 N HIS A 53 156.199 3.993 -15.907 1.00 0.00 N ATOM 912 CA HIS A 53 157.324 3.271 -15.327 1.00 0.00 C ATOM 913 C HIS A 53 158.136 4.175 -14.406 1.00 0.00 C ATOM 914 O HIS A 53 158.573 3.755 -13.334 1.00 0.00 O ATOM 915 CB HIS A 53 158.222 2.714 -16.434 1.00 0.00 C ATOM 916 CG HIS A 53 158.996 1.499 -16.025 1.00 0.00 C ATOM 917 ND1 HIS A 53 159.153 0.398 -16.839 1.00 0.00 N ATOM 918 CD2 HIS A 53 159.660 1.217 -14.880 1.00 0.00 C ATOM 919 CE1 HIS A 53 159.880 -0.510 -16.213 1.00 0.00 C ATOM 920 NE2 HIS A 53 160.200 -0.037 -15.022 1.00 0.00 N ATOM 0 H HIS A 53 156.420 4.497 -16.766 1.00 0.00 H new ATOM 0 HA HIS A 53 156.928 2.445 -14.737 1.00 0.00 H new ATOM 0 HB2 HIS A 53 157.607 2.468 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 53 158.920 3.490 -16.749 1.00 0.00 H new ATOM 0 HD2 HIS A 53 159.749 1.859 -14.016 1.00 0.00 H new ATOM 0 HE1 HIS A 53 160.164 -1.474 -16.608 1.00 0.00 H new ATOM 0 HE2 HIS A 53 160.758 -0.525 -14.321 1.00 0.00 H new ATOM 929 N ASP A 54 158.334 5.419 -14.831 1.00 0.00 N ATOM 930 CA ASP A 54 159.093 6.384 -14.044 1.00 0.00 C ATOM 931 C ASP A 54 158.401 6.667 -12.715 1.00 0.00 C ATOM 932 O ASP A 54 159.055 6.812 -11.681 1.00 0.00 O ATOM 933 CB ASP A 54 159.270 7.686 -14.827 1.00 0.00 C ATOM 934 CG ASP A 54 160.041 7.485 -16.117 1.00 0.00 C ATOM 935 OD1 ASP A 54 161.225 7.092 -16.046 1.00 0.00 O ATOM 936 OD2 ASP A 54 159.461 7.718 -17.198 1.00 0.00 O ATOM 0 H ASP A 54 157.979 5.782 -15.716 1.00 0.00 H new ATOM 0 HA ASP A 54 160.074 5.955 -13.838 1.00 0.00 H new ATOM 0 HB2 ASP A 54 158.290 8.106 -15.054 1.00 0.00 H new ATOM 0 HB3 ASP A 54 159.792 8.413 -14.205 1.00 0.00 H new ATOM 941 N ILE A 55 157.075 6.744 -12.747 1.00 0.00 N ATOM 942 CA ILE A 55 156.295 7.008 -11.545 1.00 0.00 C ATOM 943 C ILE A 55 156.223 5.773 -10.654 1.00 0.00 C ATOM 944 O ILE A 55 156.140 5.882 -9.431 1.00 0.00 O ATOM 945 CB ILE A 55 154.863 7.460 -11.893 1.00 0.00 C ATOM 946 CG1 ILE A 55 154.896 8.583 -12.931 1.00 0.00 C ATOM 947 CG2 ILE A 55 154.131 7.914 -10.637 1.00 0.00 C ATOM 948 CD1 ILE A 55 153.530 8.951 -13.466 1.00 0.00 C ATOM 0 H ILE A 55 156.518 6.627 -13.593 1.00 0.00 H new ATOM 0 HA ILE A 55 156.802 7.810 -11.009 1.00 0.00 H new ATOM 0 HB ILE A 55 154.325 6.613 -12.319 1.00 0.00 H new ATOM 0 HG12 ILE A 55 155.353 9.466 -12.484 1.00 0.00 H new ATOM 0 HG13 ILE A 55 155.533 8.280 -13.762 1.00 0.00 H new ATOM 0 HG21 ILE A 55 153.121 8.230 -10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 55 154.080 7.089 -9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 55 154.667 8.749 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 55 153.630 9.753 -14.197 1.00 0.00 H new ATOM 0 HD12 ILE A 55 153.079 8.080 -13.942 1.00 0.00 H new ATOM 0 HD13 ILE A 55 152.896 9.285 -12.645 1.00 0.00 H new ATOM 960 N ALA A 56 156.254 4.599 -11.275 1.00 0.00 N ATOM 961 CA ALA A 56 156.193 3.342 -10.538 1.00 0.00 C ATOM 962 C ALA A 56 157.499 3.074 -9.799 1.00 0.00 C ATOM 963 O ALA A 56 157.506 2.446 -8.740 1.00 0.00 O ATOM 964 CB ALA A 56 155.874 2.193 -11.482 1.00 0.00 C ATOM 0 H ALA A 56 156.321 4.491 -12.287 1.00 0.00 H new ATOM 0 HA ALA A 56 155.397 3.422 -9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 56 155.831 1.261 -10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 56 154.911 2.372 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 56 156.650 2.122 -12.244 1.00 0.00 H new ATOM 970 N ASN A 57 158.603 3.554 -10.363 1.00 0.00 N ATOM 971 CA ASN A 57 159.916 3.365 -9.755 1.00 0.00 C ATOM 972 C ASN A 57 160.111 4.313 -8.575 1.00 0.00 C ATOM 973 O ASN A 57 160.797 3.983 -7.609 1.00 0.00 O ATOM 974 CB ASN A 57 161.017 3.586 -10.796 1.00 0.00 C ATOM 975 CG ASN A 57 161.768 2.310 -11.122 1.00 0.00 C ATOM 976 OD1 ASN A 57 161.321 1.504 -11.938 1.00 0.00 O ATOM 977 ND2 ASN A 57 162.917 2.120 -10.483 1.00 0.00 N ATOM 0 H ASN A 57 158.615 4.076 -11.239 1.00 0.00 H new ATOM 0 HA ASN A 57 159.977 2.341 -9.385 1.00 0.00 H new ATOM 0 HB2 ASN A 57 160.576 3.988 -11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 57 161.719 4.333 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 57 163.467 1.279 -10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 57 163.250 2.815 -9.814 1.00 0.00 H new ATOM 984 N GLU A 58 159.505 5.493 -8.664 1.00 0.00 N ATOM 985 CA GLU A 58 159.614 6.488 -7.604 1.00 0.00 C ATOM 986 C GLU A 58 158.769 6.092 -6.396 1.00 0.00 C ATOM 987 O GLU A 58 159.152 6.335 -5.251 1.00 0.00 O ATOM 988 CB GLU A 58 159.176 7.861 -8.119 1.00 0.00 C ATOM 989 CG GLU A 58 160.035 9.005 -7.604 1.00 0.00 C ATOM 990 CD GLU A 58 160.227 10.099 -8.635 1.00 0.00 C ATOM 991 OE1 GLU A 58 160.791 9.808 -9.711 1.00 0.00 O ATOM 992 OE2 GLU A 58 159.815 11.247 -8.367 1.00 0.00 O ATOM 0 H GLU A 58 158.934 5.783 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 58 160.658 6.539 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 58 159.205 7.858 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 58 158.140 8.036 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 58 159.573 9.428 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 161.009 8.617 -7.305 1.00 0.00 H new ATOM 999 N VAL A 59 157.619 5.481 -6.660 1.00 0.00 N ATOM 1000 CA VAL A 59 156.720 5.051 -5.596 1.00 0.00 C ATOM 1001 C VAL A 59 157.214 3.762 -4.946 1.00 0.00 C ATOM 1002 O VAL A 59 156.971 3.519 -3.764 1.00 0.00 O ATOM 1003 CB VAL A 59 155.289 4.832 -6.124 1.00 0.00 C ATOM 1004 CG1 VAL A 59 154.335 4.524 -4.979 1.00 0.00 C ATOM 1005 CG2 VAL A 59 154.814 6.046 -6.909 1.00 0.00 C ATOM 0 H VAL A 59 157.288 5.273 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 59 156.706 5.847 -4.852 1.00 0.00 H new ATOM 0 HB VAL A 59 155.301 3.975 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 59 153.330 4.373 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 59 154.663 3.620 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 59 154.328 5.358 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 153.802 5.871 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 59 154.820 6.923 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 59 155.480 6.215 -7.755 1.00 0.00 H new ATOM 1015 N PHE A 60 157.906 2.938 -5.726 1.00 0.00 N ATOM 1016 CA PHE A 60 158.433 1.674 -5.227 1.00 0.00 C ATOM 1017 C PHE A 60 159.463 1.907 -4.126 1.00 0.00 C ATOM 1018 O PHE A 60 159.455 1.226 -3.100 1.00 0.00 O ATOM 1019 CB PHE A 60 159.060 0.871 -6.370 1.00 0.00 C ATOM 1020 CG PHE A 60 158.544 -0.535 -6.469 1.00 0.00 C ATOM 1021 CD1 PHE A 60 158.393 -1.314 -5.332 1.00 0.00 C ATOM 1022 CD2 PHE A 60 158.209 -1.079 -7.698 1.00 0.00 C ATOM 1023 CE1 PHE A 60 157.918 -2.608 -5.420 1.00 0.00 C ATOM 1024 CE2 PHE A 60 157.733 -2.374 -7.792 1.00 0.00 C ATOM 1025 CZ PHE A 60 157.588 -3.140 -6.652 1.00 0.00 C ATOM 0 H PHE A 60 158.115 3.124 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 60 157.604 1.106 -4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 60 158.870 1.386 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 60 160.141 0.844 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 60 158.650 -0.904 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 60 158.321 -0.485 -8.593 1.00 0.00 H new ATOM 0 HE1 PHE A 60 157.805 -3.204 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 60 157.475 -2.786 -8.756 1.00 0.00 H new ATOM 0 HZ PHE A 60 157.218 -4.152 -6.723 1.00 0.00 H new ATOM 1035 N LYS A 61 160.350 2.872 -4.346 1.00 0.00 N ATOM 1036 CA LYS A 61 161.388 3.194 -3.373 1.00 0.00 C ATOM 1037 C LYS A 61 160.777 3.600 -2.036 1.00 0.00 C ATOM 1038 O LYS A 61 161.091 3.020 -0.996 1.00 0.00 O ATOM 1039 CB LYS A 61 162.280 4.319 -3.902 1.00 0.00 C ATOM 1040 CG LYS A 61 163.413 3.830 -4.788 1.00 0.00 C ATOM 1041 CD LYS A 61 164.344 4.966 -5.183 1.00 0.00 C ATOM 1042 CE LYS A 61 165.580 4.449 -5.903 1.00 0.00 C ATOM 1043 NZ LYS A 61 165.360 4.334 -7.370 1.00 0.00 N ATOM 0 H LYS A 61 160.371 3.445 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 61 161.993 2.301 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 61 161.667 5.023 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 61 162.700 4.866 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 61 163.979 3.060 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 61 163.001 3.368 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 61 163.812 5.666 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 61 164.645 5.518 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 61 166.418 5.120 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 61 165.854 3.474 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 166.225 3.978 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 164.577 3.674 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 165.123 5.269 -7.760 1.00 0.00 H new ATOM 1057 N HIS A 62 159.904 4.602 -2.070 1.00 0.00 N ATOM 1058 CA HIS A 62 159.249 5.088 -0.861 1.00 0.00 C ATOM 1059 C HIS A 62 158.453 3.977 -0.184 1.00 0.00 C ATOM 1060 O HIS A 62 158.294 3.969 1.037 1.00 0.00 O ATOM 1061 CB HIS A 62 158.326 6.261 -1.193 1.00 0.00 C ATOM 1062 CG HIS A 62 157.785 6.960 0.016 1.00 0.00 C ATOM 1063 ND1 HIS A 62 158.547 7.235 1.131 1.00 0.00 N ATOM 1064 CD2 HIS A 62 156.547 7.442 0.280 1.00 0.00 C ATOM 1065 CE1 HIS A 62 157.803 7.855 2.029 1.00 0.00 C ATOM 1066 NE2 HIS A 62 156.586 7.993 1.538 1.00 0.00 N ATOM 0 H HIS A 62 159.634 5.093 -2.922 1.00 0.00 H new ATOM 0 HA HIS A 62 160.023 5.425 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 62 158.872 6.980 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 62 157.493 5.898 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 62 155.690 7.401 -0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 62 158.134 8.192 3.000 1.00 0.00 H new ATOM 0 HE2 HIS A 62 155.801 8.437 2.015 1.00 0.00 H new ATOM 1075 N LEU A 63 157.955 3.040 -0.983 1.00 0.00 N ATOM 1076 CA LEU A 63 157.174 1.926 -0.460 1.00 0.00 C ATOM 1077 C LEU A 63 158.047 0.989 0.371 1.00 0.00 C ATOM 1078 O LEU A 63 157.656 0.562 1.457 1.00 0.00 O ATOM 1079 CB LEU A 63 156.521 1.150 -1.606 1.00 0.00 C ATOM 1080 CG LEU A 63 155.465 0.128 -1.175 1.00 0.00 C ATOM 1081 CD1 LEU A 63 154.137 0.404 -1.865 1.00 0.00 C ATOM 1082 CD2 LEU A 63 155.938 -1.288 -1.475 1.00 0.00 C ATOM 0 H LEU A 63 158.078 3.030 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 63 156.395 2.334 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 63 156.059 1.862 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 157.300 0.632 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 63 155.318 0.222 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 63 153.401 -0.333 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 63 153.790 1.403 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 63 154.268 0.341 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 63 155.175 -2.001 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 63 156.116 -1.393 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 63 156.863 -1.485 -0.933 1.00 0.00 H new ATOM 1094 N GLN A 64 159.229 0.674 -0.148 1.00 0.00 N ATOM 1095 CA GLN A 64 160.156 -0.212 0.546 1.00 0.00 C ATOM 1096 C GLN A 64 160.920 0.537 1.634 1.00 0.00 C ATOM 1097 O GLN A 64 161.229 -0.022 2.685 1.00 0.00 O ATOM 1098 CB GLN A 64 161.139 -0.834 -0.448 1.00 0.00 C ATOM 1099 CG GLN A 64 161.946 0.193 -1.226 1.00 0.00 C ATOM 1100 CD GLN A 64 163.155 -0.414 -1.910 1.00 0.00 C ATOM 1101 OE1 GLN A 64 164.001 -1.033 -1.266 1.00 0.00 O ATOM 1102 NE2 GLN A 64 163.242 -0.238 -3.224 1.00 0.00 N ATOM 0 H GLN A 64 159.567 1.019 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 64 159.575 -1.004 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 64 161.823 -1.489 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 64 160.587 -1.458 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 64 161.307 0.661 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 64 162.274 0.981 -0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 64 162.517 0.282 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 64 164.034 -0.623 -3.739 1.00 0.00 H new ATOM 1111 N ASN A 65 161.223 1.804 1.371 1.00 0.00 N ATOM 1112 CA ASN A 65 161.952 2.629 2.329 1.00 0.00 C ATOM 1113 C ASN A 65 161.172 2.778 3.630 1.00 0.00 C ATOM 1114 O ASN A 65 161.756 2.839 4.712 1.00 0.00 O ATOM 1115 CB ASN A 65 162.237 4.008 1.732 1.00 0.00 C ATOM 1116 CG ASN A 65 163.524 4.610 2.262 1.00 0.00 C ATOM 1117 OD1 ASN A 65 164.463 4.860 1.506 1.00 0.00 O ATOM 1118 ND2 ASN A 65 163.573 4.847 3.568 1.00 0.00 N ATOM 0 H ASN A 65 160.976 2.282 0.504 1.00 0.00 H new ATOM 0 HA ASN A 65 162.897 2.132 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 65 162.297 3.926 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 65 161.406 4.677 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 164.413 5.252 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 65 162.771 4.624 4.157 1.00 0.00 H new ATOM 1125 N GLU A 66 159.849 2.837 3.518 1.00 0.00 N ATOM 1126 CA GLU A 66 158.988 2.981 4.686 1.00 0.00 C ATOM 1127 C GLU A 66 158.974 1.704 5.521 1.00 0.00 C ATOM 1128 O GLU A 66 158.731 1.743 6.728 1.00 0.00 O ATOM 1129 CB GLU A 66 157.564 3.335 4.254 1.00 0.00 C ATOM 1130 CG GLU A 66 157.378 4.805 3.916 1.00 0.00 C ATOM 1131 CD GLU A 66 155.919 5.192 3.780 1.00 0.00 C ATOM 1132 OE1 GLU A 66 155.238 4.637 2.892 1.00 0.00 O ATOM 1133 OE2 GLU A 66 155.457 6.050 4.560 1.00 0.00 O ATOM 0 H GLU A 66 159.350 2.787 2.630 1.00 0.00 H new ATOM 0 HA GLU A 66 159.388 3.788 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 157.297 2.734 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 66 156.873 3.064 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 66 157.841 5.414 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 66 157.898 5.028 2.984 1.00 0.00 H new ATOM 1140 N ILE A 67 159.235 0.572 4.874 1.00 0.00 N ATOM 1141 CA ILE A 67 159.250 -0.715 5.560 1.00 0.00 C ATOM 1142 C ILE A 67 160.352 -0.768 6.612 1.00 0.00 C ATOM 1143 O ILE A 67 160.082 -0.950 7.800 1.00 0.00 O ATOM 1144 CB ILE A 67 159.447 -1.879 4.569 1.00 0.00 C ATOM 1145 CG1 ILE A 67 158.465 -1.761 3.401 1.00 0.00 C ATOM 1146 CG2 ILE A 67 159.275 -3.214 5.278 1.00 0.00 C ATOM 1147 CD1 ILE A 67 157.018 -1.679 3.835 1.00 0.00 C ATOM 0 H ILE A 67 159.439 0.520 3.876 1.00 0.00 H new ATOM 0 HA ILE A 67 158.281 -0.822 6.048 1.00 0.00 H new ATOM 0 HB ILE A 67 160.461 -1.827 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 67 158.712 -0.874 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 67 158.591 -2.621 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 67 159.417 -4.026 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 67 160.012 -3.299 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 158.272 -3.275 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 67 156.379 -1.597 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 67 156.754 -2.577 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 67 156.877 -0.803 4.469 1.00 0.00 H new ATOM 1159 N ASN A 68 161.595 -0.610 6.167 1.00 0.00 N ATOM 1160 CA ASN A 68 162.740 -0.642 7.070 1.00 0.00 C ATOM 1161 C ASN A 68 162.654 0.476 8.106 1.00 0.00 C ATOM 1162 O ASN A 68 163.190 0.356 9.207 1.00 0.00 O ATOM 1163 CB ASN A 68 164.042 -0.519 6.277 1.00 0.00 C ATOM 1164 CG ASN A 68 164.089 0.740 5.433 1.00 0.00 C ATOM 1165 OD1 ASN A 68 163.828 1.839 5.923 1.00 0.00 O ATOM 1166 ND2 ASN A 68 164.423 0.585 4.157 1.00 0.00 N ATOM 0 H ASN A 68 161.835 -0.459 5.187 1.00 0.00 H new ATOM 0 HA ASN A 68 162.729 -1.597 7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 68 164.886 -0.522 6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 68 164.155 -1.390 5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 68 164.471 1.396 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 68 164.631 -0.345 3.794 1.00 0.00 H new ATOM 1173 N ARG A 69 161.980 1.562 7.744 1.00 0.00 N ATOM 1174 CA ARG A 69 161.827 2.702 8.641 1.00 0.00 C ATOM 1175 C ARG A 69 161.172 2.284 9.955 1.00 0.00 C ATOM 1176 O ARG A 69 161.632 2.655 11.034 1.00 0.00 O ATOM 1177 CB ARG A 69 160.994 3.796 7.969 1.00 0.00 C ATOM 1178 CG ARG A 69 160.791 5.028 8.836 1.00 0.00 C ATOM 1179 CD ARG A 69 159.916 6.060 8.145 1.00 0.00 C ATOM 1180 NE ARG A 69 158.590 6.149 8.753 1.00 0.00 N ATOM 1181 CZ ARG A 69 157.771 7.186 8.595 1.00 0.00 C ATOM 1182 NH1 ARG A 69 158.135 8.221 7.851 1.00 0.00 N ATOM 1183 NH2 ARG A 69 156.583 7.187 9.185 1.00 0.00 N ATOM 0 H ARG A 69 161.531 1.677 6.836 1.00 0.00 H new ATOM 0 HA ARG A 69 162.821 3.092 8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 69 161.481 4.092 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 69 160.020 3.386 7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 69 160.334 4.737 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 69 161.759 5.470 9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 69 160.401 7.035 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 69 159.815 5.802 7.091 1.00 0.00 H new ATOM 0 HE ARG A 69 158.274 5.371 9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 69 159.048 8.226 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 69 157.502 9.013 7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 69 156.298 6.394 9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 69 155.954 7.981 9.065 1.00 0.00 H new ATOM 1197 N LEU A 70 160.095 1.511 9.855 1.00 0.00 N ATOM 1198 CA LEU A 70 159.378 1.047 11.037 1.00 0.00 C ATOM 1199 C LEU A 70 159.919 -0.299 11.511 1.00 0.00 C ATOM 1200 O LEU A 70 160.061 -0.534 12.711 1.00 0.00 O ATOM 1201 CB LEU A 70 157.881 0.932 10.738 1.00 0.00 C ATOM 1202 CG LEU A 70 157.194 2.244 10.356 1.00 0.00 C ATOM 1203 CD1 LEU A 70 155.899 1.971 9.610 1.00 0.00 C ATOM 1204 CD2 LEU A 70 156.932 3.087 11.596 1.00 0.00 C ATOM 0 H LEU A 70 159.701 1.193 8.970 1.00 0.00 H new ATOM 0 HA LEU A 70 159.529 1.777 11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 70 157.742 0.217 9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 157.382 0.520 11.615 1.00 0.00 H new ATOM 0 HG LEU A 70 157.857 2.802 9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 70 155.425 2.916 9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 70 156.114 1.408 8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 70 155.228 1.393 10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 70 156.443 4.017 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 70 156.288 2.536 12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 70 157.878 3.312 12.089 1.00 0.00 H new ATOM 1216 N GLU A 71 160.216 -1.180 10.561 1.00 0.00 N ATOM 1217 CA GLU A 71 160.740 -2.502 10.878 1.00 0.00 C ATOM 1218 C GLU A 71 162.006 -2.406 11.727 1.00 0.00 C ATOM 1219 O GLU A 71 162.312 -3.309 12.505 1.00 0.00 O ATOM 1220 CB GLU A 71 161.030 -3.276 9.592 1.00 0.00 C ATOM 1221 CG GLU A 71 160.851 -4.777 9.733 1.00 0.00 C ATOM 1222 CD GLU A 71 159.486 -5.251 9.277 1.00 0.00 C ATOM 1223 OE1 GLU A 71 159.315 -5.492 8.063 1.00 0.00 O ATOM 1224 OE2 GLU A 71 158.586 -5.383 10.133 1.00 0.00 O ATOM 0 H GLU A 71 160.102 -1.001 9.563 1.00 0.00 H new ATOM 0 HA GLU A 71 159.984 -3.034 11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 71 160.372 -2.913 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 162.052 -3.068 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 71 161.620 -5.286 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 160.999 -5.060 10.775 1.00 0.00 H new ATOM 1231 N LYS A 72 162.735 -1.306 11.573 1.00 0.00 N ATOM 1232 CA LYS A 72 163.966 -1.097 12.329 1.00 0.00 C ATOM 1233 C LYS A 72 163.659 -0.739 13.779 1.00 0.00 C ATOM 1234 O LYS A 72 164.136 -1.395 14.706 1.00 0.00 O ATOM 1235 CB LYS A 72 164.803 0.009 11.683 1.00 0.00 C ATOM 1236 CG LYS A 72 166.107 0.290 12.417 1.00 0.00 C ATOM 1237 CD LYS A 72 167.297 0.270 11.471 1.00 0.00 C ATOM 1238 CE LYS A 72 167.168 1.331 10.389 1.00 0.00 C ATOM 1239 NZ LYS A 72 167.592 2.673 10.874 1.00 0.00 N ATOM 0 H LYS A 72 162.497 -0.547 10.934 1.00 0.00 H new ATOM 0 HA LYS A 72 164.534 -2.027 12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 72 165.027 -0.270 10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 72 164.213 0.925 11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 72 166.047 1.262 12.907 1.00 0.00 H new ATOM 0 HG3 LYS A 72 166.252 -0.454 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 72 168.215 0.435 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 167.379 -0.714 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 72 167.774 1.048 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 72 166.134 1.378 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 167.489 3.368 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 166.997 2.955 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 168.587 2.635 11.175 1.00 0.00 H new ATOM 1253 N GLN A 73 162.860 0.305 13.969 1.00 0.00 N ATOM 1254 CA GLN A 73 162.490 0.752 15.308 1.00 0.00 C ATOM 1255 C GLN A 73 161.544 -0.239 15.979 1.00 0.00 C ATOM 1256 O GLN A 73 161.446 -0.283 17.206 1.00 0.00 O ATOM 1257 CB GLN A 73 161.835 2.134 15.241 1.00 0.00 C ATOM 1258 CG GLN A 73 162.731 3.204 14.639 1.00 0.00 C ATOM 1259 CD GLN A 73 161.952 4.405 14.141 1.00 0.00 C ATOM 1260 OE1 GLN A 73 161.106 4.286 13.254 1.00 0.00 O ATOM 1261 NE2 GLN A 73 162.232 5.571 14.711 1.00 0.00 N ATOM 0 H GLN A 73 162.456 0.858 13.213 1.00 0.00 H new ATOM 0 HA GLN A 73 163.400 0.813 15.905 1.00 0.00 H new ATOM 0 HB2 GLN A 73 160.920 2.065 14.653 1.00 0.00 H new ATOM 0 HB3 GLN A 73 161.545 2.438 16.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 163.454 3.529 15.387 1.00 0.00 H new ATOM 0 HG3 GLN A 73 163.298 2.775 13.813 1.00 0.00 H new ATOM 0 HE21 GLN A 73 162.941 5.624 15.443 1.00 0.00 H new ATOM 0 HE22 GLN A 73 161.738 6.414 14.417 1.00 0.00 H new ATOM 1270 N ALA A 74 160.846 -1.033 15.172 1.00 0.00 N ATOM 1271 CA ALA A 74 159.905 -2.017 15.693 1.00 0.00 C ATOM 1272 C ALA A 74 160.607 -3.330 16.032 1.00 0.00 C ATOM 1273 O ALA A 74 160.178 -4.060 16.927 1.00 0.00 O ATOM 1274 CB ALA A 74 158.786 -2.259 14.692 1.00 0.00 C ATOM 0 H ALA A 74 160.915 -1.013 14.155 1.00 0.00 H new ATOM 0 HA ALA A 74 159.477 -1.618 16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 158.091 -2.996 15.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 158.256 -1.325 14.505 1.00 0.00 H new ATOM 0 HB3 ALA A 74 159.207 -2.630 13.758 1.00 0.00 H new ATOM 1280 N PHE A 75 161.682 -3.628 15.310 1.00 0.00 N ATOM 1281 CA PHE A 75 162.435 -4.857 15.536 1.00 0.00 C ATOM 1282 C PHE A 75 163.483 -4.667 16.628 1.00 0.00 C ATOM 1283 O PHE A 75 163.543 -5.441 17.584 1.00 0.00 O ATOM 1284 CB PHE A 75 163.111 -5.310 14.239 1.00 0.00 C ATOM 1285 CG PHE A 75 163.724 -6.678 14.328 1.00 0.00 C ATOM 1286 CD1 PHE A 75 164.892 -6.883 15.045 1.00 0.00 C ATOM 1287 CD2 PHE A 75 163.133 -7.759 13.694 1.00 0.00 C ATOM 1288 CE1 PHE A 75 165.459 -8.141 15.127 1.00 0.00 C ATOM 1289 CE2 PHE A 75 163.695 -9.019 13.773 1.00 0.00 C ATOM 1290 CZ PHE A 75 164.859 -9.210 14.491 1.00 0.00 C ATOM 0 H PHE A 75 162.051 -3.037 14.565 1.00 0.00 H new ATOM 0 HA PHE A 75 161.734 -5.625 15.863 1.00 0.00 H new ATOM 0 HB2 PHE A 75 162.376 -5.302 13.434 1.00 0.00 H new ATOM 0 HB3 PHE A 75 163.885 -4.591 13.972 1.00 0.00 H new ATOM 0 HD1 PHE A 75 165.365 -6.051 15.545 1.00 0.00 H new ATOM 0 HD2 PHE A 75 162.222 -7.615 13.131 1.00 0.00 H new ATOM 0 HE1 PHE A 75 166.370 -8.288 15.688 1.00 0.00 H new ATOM 0 HE2 PHE A 75 163.224 -9.853 13.274 1.00 0.00 H new ATOM 0 HZ PHE A 75 165.300 -10.194 14.555 1.00 0.00 H new ATOM 1300 N LEU A 76 164.309 -3.637 16.479 1.00 0.00 N ATOM 1301 CA LEU A 76 165.358 -3.350 17.452 1.00 0.00 C ATOM 1302 C LEU A 76 164.773 -3.153 18.848 1.00 0.00 C ATOM 1303 O LEU A 76 165.424 -3.443 19.851 1.00 0.00 O ATOM 1304 CB LEU A 76 166.143 -2.105 17.034 1.00 0.00 C ATOM 1305 CG LEU A 76 167.358 -2.375 16.145 1.00 0.00 C ATOM 1306 CD1 LEU A 76 166.927 -2.995 14.823 1.00 0.00 C ATOM 1307 CD2 LEU A 76 168.137 -1.090 15.905 1.00 0.00 C ATOM 0 H LEU A 76 164.273 -2.987 15.694 1.00 0.00 H new ATOM 0 HA LEU A 76 166.033 -4.205 17.481 1.00 0.00 H new ATOM 0 HB2 LEU A 76 165.469 -1.429 16.507 1.00 0.00 H new ATOM 0 HB3 LEU A 76 166.477 -1.586 17.932 1.00 0.00 H new ATOM 0 HG LEU A 76 168.010 -3.082 16.658 1.00 0.00 H new ATOM 0 HD11 LEU A 76 167.805 -3.180 14.204 1.00 0.00 H new ATOM 0 HD12 LEU A 76 166.413 -3.937 15.013 1.00 0.00 H new ATOM 0 HD13 LEU A 76 166.254 -2.313 14.303 1.00 0.00 H new ATOM 0 HD21 LEU A 76 168.998 -1.300 15.271 1.00 0.00 H new ATOM 0 HD22 LEU A 76 167.493 -0.361 15.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 168.478 -0.688 16.859 1.00 0.00 H new ATOM 1319 N ASP A 77 163.541 -2.656 18.905 1.00 0.00 N ATOM 1320 CA ASP A 77 162.871 -2.419 20.179 1.00 0.00 C ATOM 1321 C ASP A 77 162.577 -3.735 20.893 1.00 0.00 C ATOM 1322 O ASP A 77 161.533 -4.349 20.678 1.00 0.00 O ATOM 1323 CB ASP A 77 161.571 -1.643 19.959 1.00 0.00 C ATOM 1324 CG ASP A 77 160.928 -1.212 21.263 1.00 0.00 C ATOM 1325 OD1 ASP A 77 160.296 -2.062 21.924 1.00 0.00 O ATOM 1326 OD2 ASP A 77 161.058 -0.023 21.623 1.00 0.00 O ATOM 0 H ASP A 77 162.987 -2.410 18.085 1.00 0.00 H new ATOM 0 HA ASP A 77 163.537 -1.827 20.807 1.00 0.00 H new ATOM 0 HB2 ASP A 77 161.775 -0.763 19.349 1.00 0.00 H new ATOM 0 HB3 ASP A 77 160.871 -2.263 19.399 1.00 0.00 H new ATOM 1331 N GLN A 78 163.506 -4.161 21.743 1.00 0.00 N ATOM 1332 CA GLN A 78 163.345 -5.403 22.489 1.00 0.00 C ATOM 1333 C GLN A 78 162.587 -5.163 23.791 1.00 0.00 C ATOM 1334 O GLN A 78 162.993 -4.342 24.615 1.00 0.00 O ATOM 1335 CB GLN A 78 164.712 -6.022 22.789 1.00 0.00 C ATOM 1336 CG GLN A 78 164.644 -7.493 23.169 1.00 0.00 C ATOM 1337 CD GLN A 78 166.008 -8.077 23.483 1.00 0.00 C ATOM 1338 OE1 GLN A 78 166.421 -8.133 24.642 1.00 0.00 O ATOM 1339 NE2 GLN A 78 166.717 -8.516 22.449 1.00 0.00 N ATOM 0 H GLN A 78 164.377 -3.665 21.932 1.00 0.00 H new ATOM 0 HA GLN A 78 162.766 -6.093 21.875 1.00 0.00 H new ATOM 0 HB2 GLN A 78 165.352 -5.911 21.914 1.00 0.00 H new ATOM 0 HB3 GLN A 78 165.183 -5.467 23.601 1.00 0.00 H new ATOM 0 HG2 GLN A 78 163.994 -7.611 24.036 1.00 0.00 H new ATOM 0 HG3 GLN A 78 164.191 -8.055 22.352 1.00 0.00 H new ATOM 0 HE21 GLN A 78 166.336 -8.450 21.505 1.00 0.00 H new ATOM 0 HE22 GLN A 78 167.642 -8.919 22.599 1.00 0.00 H new ATOM 1348 N ASN A 79 161.486 -5.884 23.971 1.00 0.00 N ATOM 1349 CA ASN A 79 160.670 -5.749 25.172 1.00 0.00 C ATOM 1350 C ASN A 79 160.229 -7.116 25.687 1.00 0.00 C ATOM 1351 O ASN A 79 160.602 -8.148 25.132 1.00 0.00 O ATOM 1352 CB ASN A 79 159.445 -4.878 24.888 1.00 0.00 C ATOM 1353 CG ASN A 79 158.622 -5.401 23.727 1.00 0.00 C ATOM 1354 OD1 ASN A 79 158.934 -5.144 22.564 1.00 0.00 O ATOM 1355 ND2 ASN A 79 157.562 -6.138 24.038 1.00 0.00 N ATOM 0 H ASN A 79 161.138 -6.569 23.300 1.00 0.00 H new ATOM 0 HA ASN A 79 161.277 -5.270 25.940 1.00 0.00 H new ATOM 0 HB2 ASN A 79 158.821 -4.831 25.780 1.00 0.00 H new ATOM 0 HB3 ASN A 79 159.769 -3.860 24.671 1.00 0.00 H new ATOM 0 HD21 ASN A 79 156.969 -6.516 23.299 1.00 0.00 H new ATOM 0 HD22 ASN A 79 157.341 -6.326 25.016 1.00 0.00 H new ATOM 1362 N ALA A 80 159.431 -7.112 26.750 1.00 0.00 N ATOM 1363 CA ALA A 80 158.938 -8.351 27.339 1.00 0.00 C ATOM 1364 C ALA A 80 157.461 -8.558 27.023 1.00 0.00 C ATOM 1365 O ALA A 80 156.588 -8.023 27.708 1.00 0.00 O ATOM 1366 CB ALA A 80 159.163 -8.346 28.844 1.00 0.00 C ATOM 0 H ALA A 80 159.112 -6.265 27.221 1.00 0.00 H new ATOM 0 HA ALA A 80 159.496 -9.180 26.903 1.00 0.00 H new ATOM 0 HB1 ALA A 80 158.790 -9.277 29.271 1.00 0.00 H new ATOM 0 HB2 ALA A 80 160.229 -8.253 29.052 1.00 0.00 H new ATOM 0 HB3 ALA A 80 158.631 -7.505 29.289 1.00 0.00 H new ATOM 1372 N ASP A 81 157.186 -9.339 25.984 1.00 0.00 N ATOM 1373 CA ASP A 81 155.814 -9.617 25.577 1.00 0.00 C ATOM 1374 C ASP A 81 155.416 -11.043 25.945 1.00 0.00 C ATOM 1375 O ASP A 81 154.255 -11.314 26.255 1.00 0.00 O ATOM 1376 CB ASP A 81 155.652 -9.402 24.072 1.00 0.00 C ATOM 1377 CG ASP A 81 154.317 -8.777 23.717 1.00 0.00 C ATOM 1378 OD1 ASP A 81 153.856 -7.895 24.471 1.00 0.00 O ATOM 1379 OD2 ASP A 81 153.734 -9.169 22.686 1.00 0.00 O ATOM 0 H ASP A 81 157.896 -9.791 25.408 1.00 0.00 H new ATOM 0 HA ASP A 81 155.158 -8.927 26.107 1.00 0.00 H new ATOM 0 HB2 ASP A 81 156.457 -8.762 23.711 1.00 0.00 H new ATOM 0 HB3 ASP A 81 155.750 -10.358 23.559 1.00 0.00 H new ATOM 1384 N ARG A 82 156.386 -11.950 25.909 1.00 0.00 N ATOM 1385 CA ARG A 82 156.138 -13.348 26.238 1.00 0.00 C ATOM 1386 C ARG A 82 155.932 -13.525 27.740 1.00 0.00 C ATOM 1387 O ARG A 82 156.733 -13.050 28.546 1.00 0.00 O ATOM 1388 CB ARG A 82 157.301 -14.221 25.760 1.00 0.00 C ATOM 1389 CG ARG A 82 156.886 -15.308 24.783 1.00 0.00 C ATOM 1390 CD ARG A 82 158.071 -15.822 23.981 1.00 0.00 C ATOM 1391 NE ARG A 82 158.081 -17.280 23.891 1.00 0.00 N ATOM 1392 CZ ARG A 82 158.320 -18.085 24.924 1.00 0.00 C ATOM 1393 NH1 ARG A 82 158.569 -17.578 26.126 1.00 0.00 N ATOM 1394 NH2 ARG A 82 158.309 -19.400 24.756 1.00 0.00 N ATOM 0 H ARG A 82 157.352 -11.742 25.655 1.00 0.00 H new ATOM 0 HA ARG A 82 155.227 -13.661 25.727 1.00 0.00 H new ATOM 0 HB2 ARG A 82 158.050 -13.586 25.287 1.00 0.00 H new ATOM 0 HB3 ARG A 82 157.776 -14.684 26.625 1.00 0.00 H new ATOM 0 HG2 ARG A 82 156.430 -16.134 25.329 1.00 0.00 H new ATOM 0 HG3 ARG A 82 156.128 -14.918 24.104 1.00 0.00 H new ATOM 0 HD2 ARG A 82 158.041 -15.397 22.978 1.00 0.00 H new ATOM 0 HD3 ARG A 82 158.997 -15.481 24.444 1.00 0.00 H new ATOM 0 HE ARG A 82 157.894 -17.706 22.983 1.00 0.00 H new ATOM 0 HH11 ARG A 82 158.578 -16.567 26.261 1.00 0.00 H new ATOM 0 HH12 ARG A 82 158.751 -18.200 26.914 1.00 0.00 H new ATOM 0 HH21 ARG A 82 158.117 -19.795 23.835 1.00 0.00 H new ATOM 0 HH22 ARG A 82 158.492 -20.017 25.547 1.00 0.00 H new ATOM 1408 N ALA A 83 154.855 -14.211 28.108 1.00 0.00 N ATOM 1409 CA ALA A 83 154.545 -14.449 29.513 1.00 0.00 C ATOM 1410 C ALA A 83 153.378 -15.419 29.660 1.00 0.00 C ATOM 1411 O ALA A 83 153.554 -16.555 30.102 1.00 0.00 O ATOM 1412 CB ALA A 83 154.234 -13.136 30.214 1.00 0.00 C ATOM 0 H ALA A 83 154.183 -14.612 27.454 1.00 0.00 H new ATOM 0 HA ALA A 83 155.420 -14.900 29.982 1.00 0.00 H new ATOM 0 HB1 ALA A 83 154.004 -13.329 31.262 1.00 0.00 H new ATOM 0 HB2 ALA A 83 155.098 -12.474 30.147 1.00 0.00 H new ATOM 0 HB3 ALA A 83 153.377 -12.662 29.736 1.00 0.00 H new ATOM 1418 N SER A 84 152.187 -14.963 29.288 1.00 0.00 N ATOM 1419 CA SER A 84 150.989 -15.791 29.379 1.00 0.00 C ATOM 1420 C SER A 84 150.875 -16.718 28.174 1.00 0.00 C ATOM 1421 O SER A 84 151.260 -16.358 27.062 1.00 0.00 O ATOM 1422 CB SER A 84 149.742 -14.912 29.480 1.00 0.00 C ATOM 1423 OG SER A 84 149.488 -14.243 28.256 1.00 0.00 O ATOM 0 H SER A 84 152.025 -14.025 28.921 1.00 0.00 H new ATOM 0 HA SER A 84 151.068 -16.402 30.278 1.00 0.00 H new ATOM 0 HB2 SER A 84 148.882 -15.525 29.748 1.00 0.00 H new ATOM 0 HB3 SER A 84 149.873 -14.180 30.277 1.00 0.00 H new ATOM 0 HG SER A 84 148.685 -13.689 28.347 1.00 0.00 H new ATOM 1429 N ARG A 85 150.344 -17.915 28.404 1.00 0.00 N ATOM 1430 CA ARG A 85 150.180 -18.896 27.337 1.00 0.00 C ATOM 1431 C ARG A 85 148.772 -18.832 26.752 1.00 0.00 C ATOM 1432 O ARG A 85 147.808 -18.540 27.459 1.00 0.00 O ATOM 1433 CB ARG A 85 150.464 -20.304 27.862 1.00 0.00 C ATOM 1434 CG ARG A 85 150.382 -21.381 26.791 1.00 0.00 C ATOM 1435 CD ARG A 85 150.438 -22.776 27.393 1.00 0.00 C ATOM 1436 NE ARG A 85 151.566 -23.549 26.878 1.00 0.00 N ATOM 1437 CZ ARG A 85 151.572 -24.150 25.691 1.00 0.00 C ATOM 1438 NH1 ARG A 85 150.514 -24.071 24.893 1.00 0.00 N ATOM 1439 NH2 ARG A 85 152.639 -24.831 25.297 1.00 0.00 N ATOM 0 H ARG A 85 150.020 -18.229 29.319 1.00 0.00 H new ATOM 0 HA ARG A 85 150.893 -18.660 26.547 1.00 0.00 H new ATOM 0 HB2 ARG A 85 151.458 -20.323 28.309 1.00 0.00 H new ATOM 0 HB3 ARG A 85 149.754 -20.537 28.655 1.00 0.00 H new ATOM 0 HG2 ARG A 85 149.456 -21.264 26.227 1.00 0.00 H new ATOM 0 HG3 ARG A 85 151.203 -21.256 26.085 1.00 0.00 H new ATOM 0 HD2 ARG A 85 150.515 -22.700 28.478 1.00 0.00 H new ATOM 0 HD3 ARG A 85 149.508 -23.302 27.176 1.00 0.00 H new ATOM 0 HE ARG A 85 152.398 -23.633 27.463 1.00 0.00 H new ATOM 0 HH11 ARG A 85 149.690 -23.547 25.189 1.00 0.00 H new ATOM 0 HH12 ARG A 85 150.525 -24.534 23.984 1.00 0.00 H new ATOM 0 HH21 ARG A 85 153.456 -24.895 25.904 1.00 0.00 H new ATOM 0 HH22 ARG A 85 152.643 -25.291 24.387 1.00 0.00 H new ATOM 1453 N ARG A 86 148.662 -19.105 25.456 1.00 0.00 N ATOM 1454 CA ARG A 86 147.372 -19.079 24.777 1.00 0.00 C ATOM 1455 C ARG A 86 147.292 -20.177 23.720 1.00 0.00 C ATOM 1456 O ARG A 86 148.314 -20.700 23.275 1.00 0.00 O ATOM 1457 CB ARG A 86 147.141 -17.710 24.130 1.00 0.00 C ATOM 1458 CG ARG A 86 146.016 -16.916 24.774 1.00 0.00 C ATOM 1459 CD ARG A 86 146.289 -15.422 24.726 1.00 0.00 C ATOM 1460 NE ARG A 86 145.982 -14.850 23.416 1.00 0.00 N ATOM 1461 CZ ARG A 86 144.747 -14.597 22.990 1.00 0.00 C ATOM 1462 NH1 ARG A 86 143.702 -14.862 23.765 1.00 0.00 N ATOM 1463 NH2 ARG A 86 144.556 -14.077 21.785 1.00 0.00 N ATOM 0 H ARG A 86 149.450 -19.347 24.855 1.00 0.00 H new ATOM 0 HA ARG A 86 146.593 -19.258 25.519 1.00 0.00 H new ATOM 0 HB2 ARG A 86 148.062 -17.130 24.186 1.00 0.00 H new ATOM 0 HB3 ARG A 86 146.917 -17.850 23.073 1.00 0.00 H new ATOM 0 HG2 ARG A 86 145.078 -17.132 24.262 1.00 0.00 H new ATOM 0 HG3 ARG A 86 145.894 -17.231 25.810 1.00 0.00 H new ATOM 0 HD2 ARG A 86 145.694 -14.920 25.489 1.00 0.00 H new ATOM 0 HD3 ARG A 86 147.336 -15.237 24.966 1.00 0.00 H new ATOM 0 HE ARG A 86 146.759 -14.632 22.793 1.00 0.00 H new ATOM 0 HH11 ARG A 86 143.843 -15.262 24.693 1.00 0.00 H new ATOM 0 HH12 ARG A 86 142.758 -14.666 23.433 1.00 0.00 H new ATOM 0 HH21 ARG A 86 145.355 -13.871 21.186 1.00 0.00 H new ATOM 0 HH22 ARG A 86 143.610 -13.883 21.458 1.00 0.00 H new ATOM 1477 N THR A 87 146.072 -20.521 23.323 1.00 0.00 N ATOM 1478 CA THR A 87 145.859 -21.557 22.319 1.00 0.00 C ATOM 1479 C THR A 87 144.775 -21.141 21.329 1.00 0.00 C ATOM 1480 O THR A 87 143.592 -21.402 21.544 1.00 0.00 O ATOM 1481 CB THR A 87 145.472 -22.876 22.990 1.00 0.00 C ATOM 1482 OG1 THR A 87 144.247 -22.744 23.688 1.00 0.00 O ATOM 1483 CG2 THR A 87 146.510 -23.374 23.973 1.00 0.00 C ATOM 0 H THR A 87 145.216 -20.098 23.681 1.00 0.00 H new ATOM 0 HA THR A 87 146.792 -21.695 21.773 1.00 0.00 H new ATOM 0 HB THR A 87 145.387 -23.599 22.178 1.00 0.00 H new ATOM 0 HG1 THR A 87 143.588 -22.305 23.111 1.00 0.00 H new ATOM 0 HG21 THR A 87 146.174 -24.313 24.413 1.00 0.00 H new ATOM 0 HG22 THR A 87 147.455 -23.535 23.454 1.00 0.00 H new ATOM 0 HG23 THR A 87 146.650 -22.634 24.761 1.00 0.00 H new ATOM 1491 N PHE A 88 145.189 -20.493 20.246 1.00 0.00 N ATOM 1492 CA PHE A 88 144.254 -20.040 19.222 1.00 0.00 C ATOM 1493 C PHE A 88 144.454 -20.815 17.922 1.00 0.00 C ATOM 1494 O PHE A 88 145.254 -21.774 17.924 1.00 0.00 O ATOM 1495 CB PHE A 88 144.428 -18.540 18.972 1.00 0.00 C ATOM 1496 CG PHE A 88 143.171 -17.745 19.187 1.00 0.00 C ATOM 1497 CD1 PHE A 88 142.099 -17.873 18.319 1.00 0.00 C ATOM 1498 CD2 PHE A 88 143.063 -16.873 20.258 1.00 0.00 C ATOM 1499 CE1 PHE A 88 140.941 -17.144 18.516 1.00 0.00 C ATOM 1500 CE2 PHE A 88 141.909 -16.142 20.459 1.00 0.00 C ATOM 1501 CZ PHE A 88 140.846 -16.278 19.587 1.00 0.00 C ATOM 1502 OXT PHE A 88 143.810 -20.455 16.915 1.00 0.00 O ATOM 0 H PHE A 88 146.166 -20.269 20.054 1.00 0.00 H new ATOM 0 HA PHE A 88 143.241 -20.225 19.580 1.00 0.00 H new ATOM 0 HB2 PHE A 88 145.207 -18.158 19.632 1.00 0.00 H new ATOM 0 HB3 PHE A 88 144.774 -18.388 17.949 1.00 0.00 H new ATOM 0 HD1 PHE A 88 142.169 -18.549 17.480 1.00 0.00 H new ATOM 0 HD2 PHE A 88 143.891 -16.764 20.943 1.00 0.00 H new ATOM 0 HE1 PHE A 88 140.112 -17.252 17.833 1.00 0.00 H new ATOM 0 HE2 PHE A 88 141.837 -15.465 21.297 1.00 0.00 H new ATOM 0 HZ PHE A 88 139.942 -15.708 19.743 1.00 0.00 H new TER 1512 PHE A 88