USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 692 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -2.01! C(o=-3.5!,f=-2!) USER MOD Set 2.1: A 67 GLN :FLIP amide:sc= -2.63! C(o=-4.3!,f=-2.6!) USER MOD Set 2.2: A 71 GLN : amide:sc=-0.00256 K(o=-2.6,f=-4.6!) USER MOD Set 3.1: A 66 THR OG1 : rot 143:sc= -0.117! USER MOD Set 3.2: A 69 GLN : amide:sc= -2.08! C(o=-2.2!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= -0.0721 (180deg=-0.219) USER MOD Single : A 2 SER OG : rot -14:sc= 0.801 USER MOD Single : A 4 ASN : amide:sc= -0.308 K(o=-0.31,f=-4.1!) USER MOD Single : A 5 SER OG : rot 59:sc= 0.688 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -26:sc= 0.0637 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.207 (180deg=-0.887) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.5!) USER MOD Single : A 41 HIS : no HE2:sc= -2.46! C(o=-2.5!,f=-6.3!) USER MOD Single : A 43 SER OG : rot 127:sc= 0.0275 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.236 (180deg=-0.869!) USER MOD Single : A 56 SER OG : rot -111:sc= 0.118 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.466 K(o=-0.47,f=-4!) USER MOD Single : A 74 GLN : amide:sc= -2.26 K(o=-2.3,f=-4.2!) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 80 SER OG : rot -82:sc= 0.495 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.149 K(o=-0.15,f=-3!) USER MOD Single : A 84 TYR OH : rot 38:sc= 0.356 USER MOD Single : A 85 SER OG : rot -62:sc= 0.894 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= -0.473 (180deg=-0.853) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.183 7.084 -18.831 1.00 0.00 N ATOM 2 CA GLY A 1 8.598 7.231 -20.256 1.00 0.00 C ATOM 3 C GLY A 1 10.114 7.058 -20.368 1.00 0.00 C ATOM 4 O GLY A 1 10.641 6.786 -21.428 1.00 0.00 O ATOM 0 H1 GLY A 1 7.145 7.049 -18.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.581 6.205 -18.442 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.533 7.895 -18.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.090 6.489 -20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.305 8.211 -20.632 1.00 0.00 H new ATOM 10 N SER A 2 10.820 7.215 -19.281 1.00 0.00 N ATOM 11 CA SER A 2 12.302 7.058 -19.328 1.00 0.00 C ATOM 12 C SER A 2 12.850 6.944 -17.900 1.00 0.00 C ATOM 13 O SER A 2 13.488 7.852 -17.406 1.00 0.00 O ATOM 14 CB SER A 2 12.920 8.278 -20.013 1.00 0.00 C ATOM 15 OG SER A 2 12.524 8.300 -21.379 1.00 0.00 O ATOM 0 H SER A 2 10.436 7.445 -18.364 1.00 0.00 H new ATOM 0 HA SER A 2 12.555 6.157 -19.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.598 9.192 -19.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.007 8.240 -19.938 1.00 0.00 H new ATOM 0 HG SER A 2 12.146 7.430 -21.624 1.00 0.00 H new ATOM 21 N PRO A 3 12.607 5.836 -17.238 1.00 0.00 N ATOM 22 CA PRO A 3 13.105 5.646 -15.845 1.00 0.00 C ATOM 23 C PRO A 3 14.641 5.697 -15.771 1.00 0.00 C ATOM 24 O PRO A 3 15.328 5.023 -16.514 1.00 0.00 O ATOM 25 CB PRO A 3 12.562 4.246 -15.482 1.00 0.00 C ATOM 26 CG PRO A 3 11.633 3.773 -16.618 1.00 0.00 C ATOM 27 CD PRO A 3 11.826 4.710 -17.823 1.00 0.00 C ATOM 0 HA PRO A 3 12.776 6.429 -15.162 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.385 3.544 -15.348 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.018 4.284 -14.538 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.866 2.745 -16.896 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.594 3.787 -16.289 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.365 4.221 -18.634 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.873 5.047 -18.231 1.00 0.00 H new ATOM 35 N ASN A 4 15.183 6.488 -14.884 1.00 0.00 N ATOM 36 CA ASN A 4 16.667 6.573 -14.773 1.00 0.00 C ATOM 37 C ASN A 4 17.041 7.378 -13.528 1.00 0.00 C ATOM 38 O ASN A 4 16.347 8.295 -13.136 1.00 0.00 O ATOM 39 CB ASN A 4 17.234 7.263 -16.016 1.00 0.00 C ATOM 40 CG ASN A 4 18.763 7.214 -15.975 1.00 0.00 C ATOM 41 OD1 ASN A 4 19.337 6.401 -15.280 1.00 0.00 O ATOM 42 ND2 ASN A 4 19.450 8.057 -16.695 1.00 0.00 N ATOM 0 H ASN A 4 14.663 7.077 -14.233 1.00 0.00 H new ATOM 0 HA ASN A 4 17.082 5.568 -14.694 1.00 0.00 H new ATOM 0 HB2 ASN A 4 16.868 6.771 -16.917 1.00 0.00 H new ATOM 0 HB3 ASN A 4 16.894 8.298 -16.058 1.00 0.00 H new ATOM 0 HD21 ASN A 4 20.470 8.033 -16.674 1.00 0.00 H new ATOM 0 HD22 ASN A 4 18.968 8.740 -17.279 1.00 0.00 H new ATOM 49 N SER A 5 18.137 7.043 -12.901 1.00 0.00 N ATOM 50 CA SER A 5 18.557 7.789 -11.682 1.00 0.00 C ATOM 51 C SER A 5 19.967 7.350 -11.280 1.00 0.00 C ATOM 52 O SER A 5 20.158 6.681 -10.283 1.00 0.00 O ATOM 53 CB SER A 5 17.585 7.491 -10.541 1.00 0.00 C ATOM 54 OG SER A 5 17.575 6.093 -10.285 1.00 0.00 O ATOM 0 H SER A 5 18.759 6.285 -13.181 1.00 0.00 H new ATOM 0 HA SER A 5 18.553 8.859 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.882 8.034 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.583 7.831 -10.803 1.00 0.00 H new ATOM 0 HG SER A 5 18.479 5.798 -10.047 1.00 0.00 H new ATOM 60 N TYR A 6 20.954 7.719 -12.048 1.00 0.00 N ATOM 61 CA TYR A 6 22.350 7.320 -11.712 1.00 0.00 C ATOM 62 C TYR A 6 22.841 8.128 -10.513 1.00 0.00 C ATOM 63 O TYR A 6 24.009 8.103 -10.177 1.00 0.00 O ATOM 64 CB TYR A 6 23.262 7.580 -12.913 1.00 0.00 C ATOM 65 CG TYR A 6 23.116 9.016 -13.355 1.00 0.00 C ATOM 66 CD1 TYR A 6 23.944 10.003 -12.809 1.00 0.00 C ATOM 67 CD2 TYR A 6 22.153 9.360 -14.312 1.00 0.00 C ATOM 68 CE1 TYR A 6 23.810 11.336 -13.220 1.00 0.00 C ATOM 69 CE2 TYR A 6 22.019 10.691 -14.723 1.00 0.00 C ATOM 70 CZ TYR A 6 22.848 11.679 -14.177 1.00 0.00 C ATOM 71 OH TYR A 6 22.715 12.992 -14.582 1.00 0.00 O ATOM 0 H TYR A 6 20.855 8.280 -12.894 1.00 0.00 H new ATOM 0 HA TYR A 6 22.371 6.259 -11.465 1.00 0.00 H new ATOM 0 HB2 TYR A 6 24.299 7.374 -12.647 1.00 0.00 H new ATOM 0 HB3 TYR A 6 23.003 6.908 -13.732 1.00 0.00 H new ATOM 0 HD1 TYR A 6 24.686 9.737 -12.071 1.00 0.00 H new ATOM 0 HD2 TYR A 6 21.514 8.598 -14.733 1.00 0.00 H new ATOM 0 HE1 TYR A 6 24.449 12.098 -12.799 1.00 0.00 H new ATOM 0 HE2 TYR A 6 21.276 10.956 -15.461 1.00 0.00 H new ATOM 0 HH TYR A 6 22.002 13.057 -15.252 1.00 0.00 H new ATOM 81 N GLY A 7 21.963 8.832 -9.849 1.00 0.00 N ATOM 82 CA GLY A 7 22.398 9.617 -8.660 1.00 0.00 C ATOM 83 C GLY A 7 23.211 8.699 -7.750 1.00 0.00 C ATOM 84 O GLY A 7 24.284 9.044 -7.296 1.00 0.00 O ATOM 0 H GLY A 7 20.971 8.897 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.998 10.473 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.532 10.010 -8.127 1.00 0.00 H new ATOM 88 N ASP A 8 22.707 7.517 -7.508 1.00 0.00 N ATOM 89 CA ASP A 8 23.432 6.537 -6.654 1.00 0.00 C ATOM 90 C ASP A 8 22.498 5.365 -6.343 1.00 0.00 C ATOM 91 O ASP A 8 22.748 4.577 -5.453 1.00 0.00 O ATOM 92 CB ASP A 8 23.884 7.210 -5.349 1.00 0.00 C ATOM 93 CG ASP A 8 22.852 8.258 -4.931 1.00 0.00 C ATOM 94 OD1 ASP A 8 21.677 7.927 -4.903 1.00 0.00 O ATOM 95 OD2 ASP A 8 23.252 9.375 -4.646 1.00 0.00 O ATOM 0 H ASP A 8 21.813 7.188 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 8 24.315 6.173 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 8 23.998 6.463 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 8 24.858 7.679 -5.488 1.00 0.00 H new ATOM 100 N LEU A 9 21.427 5.249 -7.079 1.00 0.00 N ATOM 101 CA LEU A 9 20.462 4.135 -6.850 1.00 0.00 C ATOM 102 C LEU A 9 20.218 3.959 -5.347 1.00 0.00 C ATOM 103 O LEU A 9 20.941 3.256 -4.671 1.00 0.00 O ATOM 104 CB LEU A 9 21.042 2.843 -7.435 1.00 0.00 C ATOM 105 CG LEU A 9 20.910 2.846 -8.973 1.00 0.00 C ATOM 106 CD1 LEU A 9 21.966 1.920 -9.584 1.00 0.00 C ATOM 107 CD2 LEU A 9 19.517 2.350 -9.390 1.00 0.00 C ATOM 0 H LEU A 9 21.176 5.884 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 9 19.515 4.366 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 9 22.091 2.747 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.520 1.981 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 9 21.055 3.865 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.870 1.925 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 9 22.961 2.269 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.820 0.906 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 9 19.438 2.358 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.367 1.335 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.756 3.005 -8.967 1.00 0.00 H new ATOM 119 N GLY A 10 19.208 4.596 -4.822 1.00 0.00 N ATOM 120 CA GLY A 10 18.921 4.467 -3.365 1.00 0.00 C ATOM 121 C GLY A 10 18.717 2.993 -3.010 1.00 0.00 C ATOM 122 O GLY A 10 17.604 2.514 -2.926 1.00 0.00 O ATOM 0 H GLY A 10 18.569 5.200 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.745 4.881 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.030 5.040 -3.108 1.00 0.00 H new ATOM 126 N GLY A 11 19.784 2.270 -2.800 1.00 0.00 N ATOM 127 CA GLY A 11 19.654 0.827 -2.451 1.00 0.00 C ATOM 128 C GLY A 11 18.856 0.105 -3.547 1.00 0.00 C ATOM 129 O GLY A 11 18.207 0.736 -4.357 1.00 0.00 O ATOM 0 H GLY A 11 20.741 2.618 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.641 0.376 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.152 0.718 -1.489 1.00 0.00 H new ATOM 133 N PRO A 12 18.896 -1.210 -3.582 1.00 0.00 N ATOM 134 CA PRO A 12 18.143 -1.973 -4.621 1.00 0.00 C ATOM 135 C PRO A 12 16.622 -1.854 -4.434 1.00 0.00 C ATOM 136 O PRO A 12 16.141 -1.520 -3.369 1.00 0.00 O ATOM 137 CB PRO A 12 18.626 -3.416 -4.378 1.00 0.00 C ATOM 138 CG PRO A 12 19.285 -3.462 -2.989 1.00 0.00 C ATOM 139 CD PRO A 12 19.682 -2.026 -2.610 1.00 0.00 C ATOM 0 HA PRO A 12 18.321 -1.612 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.789 -4.113 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.336 -3.716 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.596 -3.875 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.162 -4.110 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.421 -1.791 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.754 -1.860 -2.714 1.00 0.00 H new ATOM 147 N ILE A 13 15.867 -2.136 -5.460 1.00 0.00 N ATOM 148 CA ILE A 13 14.384 -2.052 -5.344 1.00 0.00 C ATOM 149 C ILE A 13 13.860 -3.334 -4.693 1.00 0.00 C ATOM 150 O ILE A 13 14.354 -4.412 -4.954 1.00 0.00 O ATOM 151 CB ILE A 13 13.776 -1.899 -6.746 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.501 -0.779 -7.505 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.285 -1.559 -6.640 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.535 0.500 -6.660 1.00 0.00 C ATOM 0 H ILE A 13 16.214 -2.422 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 13 14.106 -1.193 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 13 13.891 -2.840 -7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.517 -1.092 -7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.995 -0.585 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.864 -1.453 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.766 -2.358 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.163 -0.624 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.052 1.286 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.516 0.820 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.061 0.305 -5.726 1.00 0.00 H new ATOM 166 N ILE A 14 12.878 -3.225 -3.831 1.00 0.00 N ATOM 167 CA ILE A 14 12.324 -4.429 -3.133 1.00 0.00 C ATOM 168 C ILE A 14 10.817 -4.516 -3.384 1.00 0.00 C ATOM 169 O ILE A 14 10.151 -3.510 -3.527 1.00 0.00 O ATOM 170 CB ILE A 14 12.581 -4.271 -1.629 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.093 -4.193 -1.392 1.00 0.00 C ATOM 172 CG2 ILE A 14 12.006 -5.472 -0.867 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.375 -3.909 0.085 1.00 0.00 C ATOM 0 H ILE A 14 12.432 -2.343 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 14 12.801 -5.335 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 14 12.097 -3.362 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.565 -5.130 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.527 -3.408 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.194 -5.350 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.932 -5.533 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.483 -6.387 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.452 -3.855 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.918 -2.960 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.957 -4.709 0.696 1.00 0.00 H new ATOM 185 N THR A 15 10.269 -5.707 -3.413 1.00 0.00 N ATOM 186 CA THR A 15 8.797 -5.873 -3.624 1.00 0.00 C ATOM 187 C THR A 15 8.244 -6.719 -2.477 1.00 0.00 C ATOM 188 O THR A 15 8.838 -7.696 -2.067 1.00 0.00 O ATOM 189 CB THR A 15 8.545 -6.590 -4.955 1.00 0.00 C ATOM 190 OG1 THR A 15 9.417 -6.068 -5.946 1.00 0.00 O ATOM 191 CG2 THR A 15 7.093 -6.378 -5.386 1.00 0.00 C ATOM 0 H THR A 15 10.785 -6.580 -3.298 1.00 0.00 H new ATOM 0 HA THR A 15 8.308 -4.899 -3.648 1.00 0.00 H new ATOM 0 HB THR A 15 8.732 -7.657 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.257 -6.527 -6.797 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.916 -6.889 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.425 -6.782 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.902 -5.312 -5.508 1.00 0.00 H new ATOM 199 N THR A 16 7.109 -6.345 -1.956 1.00 0.00 N ATOM 200 CA THR A 16 6.492 -7.109 -0.829 1.00 0.00 C ATOM 201 C THR A 16 4.982 -7.194 -1.061 1.00 0.00 C ATOM 202 O THR A 16 4.392 -6.268 -1.582 1.00 0.00 O ATOM 203 CB THR A 16 6.777 -6.384 0.492 1.00 0.00 C ATOM 204 OG1 THR A 16 6.114 -7.058 1.552 1.00 0.00 O ATOM 205 CG2 THR A 16 6.277 -4.940 0.413 1.00 0.00 C ATOM 0 H THR A 16 6.574 -5.533 -2.265 1.00 0.00 H new ATOM 0 HA THR A 16 6.912 -8.114 -0.781 1.00 0.00 H new ATOM 0 HB THR A 16 7.852 -6.380 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.296 -6.597 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.483 -4.432 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.788 -4.422 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.203 -4.937 0.226 1.00 0.00 H new ATOM 213 N GLN A 17 4.347 -8.289 -0.696 1.00 0.00 N ATOM 214 CA GLN A 17 2.863 -8.407 -0.923 1.00 0.00 C ATOM 215 C GLN A 17 2.118 -8.392 0.413 1.00 0.00 C ATOM 216 O GLN A 17 2.606 -8.870 1.418 1.00 0.00 O ATOM 217 CB GLN A 17 2.554 -9.708 -1.667 1.00 0.00 C ATOM 218 CG GLN A 17 3.092 -9.625 -3.096 1.00 0.00 C ATOM 219 CD GLN A 17 2.944 -10.987 -3.776 1.00 0.00 C ATOM 220 OE1 GLN A 17 2.404 -11.911 -3.199 1.00 0.00 O ATOM 221 NE2 GLN A 17 3.402 -11.153 -4.986 1.00 0.00 N ATOM 0 H GLN A 17 4.785 -9.098 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 17 2.533 -7.558 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.006 -10.552 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.478 -9.882 -1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.548 -8.865 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.140 -9.324 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.855 -10.378 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.307 -12.058 -5.448 1.00 0.00 H new ATOM 230 N VAL A 18 0.931 -7.832 0.420 1.00 0.00 N ATOM 231 CA VAL A 18 0.110 -7.752 1.669 1.00 0.00 C ATOM 232 C VAL A 18 -1.263 -8.371 1.395 1.00 0.00 C ATOM 233 O VAL A 18 -1.722 -8.405 0.271 1.00 0.00 O ATOM 234 CB VAL A 18 -0.077 -6.272 2.033 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.594 -6.146 3.468 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.264 -5.546 1.911 1.00 0.00 C ATOM 0 H VAL A 18 0.490 -7.420 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 18 0.603 -8.283 2.483 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.802 -5.826 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.723 -5.093 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.551 -6.660 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.124 -6.595 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.134 -4.495 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.986 -5.999 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.629 -5.626 0.887 1.00 0.00 H new ATOM 246 N THR A 19 -1.924 -8.852 2.418 1.00 0.00 N ATOM 247 CA THR A 19 -3.281 -9.468 2.244 1.00 0.00 C ATOM 248 C THR A 19 -4.249 -8.780 3.217 1.00 0.00 C ATOM 249 O THR A 19 -3.963 -8.636 4.390 1.00 0.00 O ATOM 250 CB THR A 19 -3.200 -10.970 2.548 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.004 -11.496 1.990 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.405 -11.689 1.941 1.00 0.00 C ATOM 0 H THR A 19 -1.580 -8.845 3.378 1.00 0.00 H new ATOM 0 HA THR A 19 -3.634 -9.338 1.221 1.00 0.00 H new ATOM 0 HB THR A 19 -3.201 -11.121 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.947 -12.455 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.341 -12.755 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.323 -11.285 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.411 -11.541 0.861 1.00 0.00 H new ATOM 260 N ILE A 20 -5.384 -8.337 2.728 1.00 0.00 N ATOM 261 CA ILE A 20 -6.387 -7.628 3.599 1.00 0.00 C ATOM 262 C ILE A 20 -7.770 -8.310 3.444 1.00 0.00 C ATOM 263 O ILE A 20 -8.165 -8.618 2.338 1.00 0.00 O ATOM 264 CB ILE A 20 -6.507 -6.149 3.118 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.939 -6.022 1.700 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.727 -5.209 4.048 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.273 -4.648 1.127 1.00 0.00 C ATOM 0 H ILE A 20 -5.664 -8.436 1.752 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.067 -7.667 4.640 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.561 -5.870 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.859 -6.165 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.354 -6.802 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.825 -4.183 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.127 -5.283 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.675 -5.493 4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.866 -4.565 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.355 -4.521 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.837 -3.874 1.759 1.00 0.00 H new ATOM 279 N PRO A 21 -8.531 -8.512 4.503 1.00 0.00 N ATOM 280 CA PRO A 21 -9.883 -9.119 4.342 1.00 0.00 C ATOM 281 C PRO A 21 -10.736 -8.302 3.353 1.00 0.00 C ATOM 282 O PRO A 21 -10.311 -7.267 2.884 1.00 0.00 O ATOM 283 CB PRO A 21 -10.460 -9.067 5.773 1.00 0.00 C ATOM 284 CG PRO A 21 -9.367 -8.533 6.725 1.00 0.00 C ATOM 285 CD PRO A 21 -8.120 -8.171 5.895 1.00 0.00 C ATOM 0 HA PRO A 21 -9.862 -10.129 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.337 -8.421 5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.783 -10.059 6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.730 -7.657 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.117 -9.286 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.863 -7.116 5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.247 -8.742 6.209 1.00 0.00 H new ATOM 293 N LYS A 22 -11.917 -8.747 3.019 1.00 0.00 N ATOM 294 CA LYS A 22 -12.743 -7.965 2.046 1.00 0.00 C ATOM 295 C LYS A 22 -13.399 -6.771 2.738 1.00 0.00 C ATOM 296 O LYS A 22 -13.519 -5.702 2.171 1.00 0.00 O ATOM 297 CB LYS A 22 -13.854 -8.841 1.453 1.00 0.00 C ATOM 298 CG LYS A 22 -13.257 -10.114 0.853 1.00 0.00 C ATOM 299 CD LYS A 22 -14.233 -10.710 -0.170 1.00 0.00 C ATOM 300 CE LYS A 22 -15.514 -11.150 0.541 1.00 0.00 C ATOM 301 NZ LYS A 22 -16.347 -11.961 -0.391 1.00 0.00 N ATOM 0 H LYS A 22 -12.344 -9.605 3.370 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.078 -7.620 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.576 -9.099 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.394 -8.287 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.304 -9.889 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.054 -10.839 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.466 -9.973 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.774 -11.561 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.268 -11.734 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.073 -10.277 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.218 -12.260 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.593 -11.389 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.813 -12.801 -0.693 1.00 0.00 H new ATOM 315 N ASP A 23 -13.854 -6.951 3.941 1.00 0.00 N ATOM 316 CA ASP A 23 -14.541 -5.834 4.654 1.00 0.00 C ATOM 317 C ASP A 23 -13.592 -4.655 4.895 1.00 0.00 C ATOM 318 O ASP A 23 -13.965 -3.503 4.754 1.00 0.00 O ATOM 319 CB ASP A 23 -15.082 -6.337 5.992 1.00 0.00 C ATOM 320 CG ASP A 23 -15.833 -5.205 6.698 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.207 -4.259 6.024 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.019 -5.304 7.899 1.00 0.00 O ATOM 0 H ASP A 23 -13.782 -7.822 4.466 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.361 -5.486 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.748 -7.185 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.262 -6.690 6.618 1.00 0.00 H new ATOM 327 N LEU A 24 -12.363 -4.913 5.238 1.00 0.00 N ATOM 328 CA LEU A 24 -11.402 -3.808 5.469 1.00 0.00 C ATOM 329 C LEU A 24 -10.876 -3.339 4.115 1.00 0.00 C ATOM 330 O LEU A 24 -10.506 -2.195 3.939 1.00 0.00 O ATOM 331 CB LEU A 24 -10.226 -4.325 6.321 1.00 0.00 C ATOM 332 CG LEU A 24 -10.577 -4.265 7.815 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.779 -5.166 8.108 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.374 -4.737 8.640 1.00 0.00 C ATOM 0 H LEU A 24 -11.982 -5.850 5.369 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.891 -2.985 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.988 -5.350 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.337 -3.726 6.126 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.827 -3.238 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.020 -5.117 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.636 -4.830 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.537 -6.194 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.621 -4.695 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.124 -5.762 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.520 -4.090 8.441 1.00 0.00 H new ATOM 346 N ALA A 25 -10.836 -4.224 3.157 1.00 0.00 N ATOM 347 CA ALA A 25 -10.332 -3.844 1.815 1.00 0.00 C ATOM 348 C ALA A 25 -11.175 -2.702 1.270 1.00 0.00 C ATOM 349 O ALA A 25 -10.682 -1.760 0.686 1.00 0.00 O ATOM 350 CB ALA A 25 -10.469 -5.031 0.867 1.00 0.00 C ATOM 0 H ALA A 25 -11.132 -5.196 3.250 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.287 -3.543 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.099 -4.753 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.888 -5.871 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.518 -5.319 0.793 1.00 0.00 H new ATOM 356 N ARG A 26 -12.467 -2.800 1.455 1.00 0.00 N ATOM 357 CA ARG A 26 -13.373 -1.741 0.946 1.00 0.00 C ATOM 358 C ARG A 26 -13.189 -0.495 1.801 1.00 0.00 C ATOM 359 O ARG A 26 -13.326 0.616 1.329 1.00 0.00 O ATOM 360 CB ARG A 26 -14.833 -2.224 0.959 1.00 0.00 C ATOM 361 CG ARG A 26 -15.257 -2.641 2.372 1.00 0.00 C ATOM 362 CD ARG A 26 -16.781 -2.754 2.428 1.00 0.00 C ATOM 363 NE ARG A 26 -17.193 -3.240 3.776 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.442 -3.162 4.144 1.00 0.00 C ATOM 365 NH1 ARG A 26 -19.335 -2.678 3.324 1.00 0.00 N ATOM 366 NH2 ARG A 26 -18.800 -3.574 5.329 1.00 0.00 N ATOM 0 H ARG A 26 -12.929 -3.571 1.938 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.126 -1.504 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.487 -1.430 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.948 -3.066 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.800 -3.595 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.908 -1.909 3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.236 -1.785 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.134 -3.440 1.658 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.498 -3.634 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.056 -2.361 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.312 -2.617 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.103 -3.957 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.777 -3.513 5.617 1.00 0.00 H new ATOM 380 N SER A 27 -12.863 -0.659 3.054 1.00 0.00 N ATOM 381 CA SER A 27 -12.652 0.524 3.925 1.00 0.00 C ATOM 382 C SER A 27 -11.337 1.208 3.537 1.00 0.00 C ATOM 383 O SER A 27 -11.179 2.402 3.701 1.00 0.00 O ATOM 384 CB SER A 27 -12.569 0.068 5.383 1.00 0.00 C ATOM 385 OG SER A 27 -11.401 -0.721 5.562 1.00 0.00 O ATOM 0 H SER A 27 -12.734 -1.563 3.509 1.00 0.00 H new ATOM 0 HA SER A 27 -13.481 1.222 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.543 0.933 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.455 -0.509 5.647 1.00 0.00 H new ATOM 0 HG SER A 27 -11.153 -1.136 4.710 1.00 0.00 H new ATOM 391 N ILE A 28 -10.366 0.454 3.071 1.00 0.00 N ATOM 392 CA ILE A 28 -9.042 1.058 2.735 1.00 0.00 C ATOM 393 C ILE A 28 -9.029 1.599 1.301 1.00 0.00 C ATOM 394 O ILE A 28 -8.532 2.675 1.037 1.00 0.00 O ATOM 395 CB ILE A 28 -7.969 -0.023 2.868 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.883 -0.488 4.323 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.620 0.537 2.427 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.081 -1.790 4.399 1.00 0.00 C ATOM 0 H ILE A 28 -10.437 -0.551 2.911 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.849 1.887 3.416 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.232 -0.871 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.408 0.280 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.884 -0.641 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.857 -0.235 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.682 0.859 1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.356 1.388 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.021 -2.120 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.575 -2.557 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.076 -1.621 4.013 1.00 0.00 H new ATOM 410 N ILE A 29 -9.550 0.847 0.373 1.00 0.00 N ATOM 411 CA ILE A 29 -9.535 1.315 -1.043 1.00 0.00 C ATOM 412 C ILE A 29 -10.445 2.534 -1.196 1.00 0.00 C ATOM 413 O ILE A 29 -10.164 3.426 -1.965 1.00 0.00 O ATOM 414 CB ILE A 29 -10.003 0.184 -1.971 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.112 -1.057 -1.776 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.911 0.647 -3.428 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.826 -2.292 -2.327 1.00 0.00 C ATOM 0 H ILE A 29 -9.982 -0.064 0.530 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.518 1.597 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.035 -0.071 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.159 -0.917 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.889 -1.195 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.243 -0.156 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.546 1.521 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.879 0.905 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.194 -3.170 -2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.767 -2.435 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.026 -2.153 -3.389 1.00 0.00 H new ATOM 429 N GLY A 30 -11.540 2.592 -0.489 1.00 0.00 N ATOM 430 CA GLY A 30 -12.452 3.765 -0.636 1.00 0.00 C ATOM 431 C GLY A 30 -13.450 3.468 -1.756 1.00 0.00 C ATOM 432 O GLY A 30 -13.491 2.375 -2.283 1.00 0.00 O ATOM 0 H GLY A 30 -11.843 1.884 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.978 3.955 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.879 4.663 -0.868 1.00 0.00 H new ATOM 436 N LYS A 31 -14.258 4.427 -2.128 1.00 0.00 N ATOM 437 CA LYS A 31 -15.254 4.185 -3.218 1.00 0.00 C ATOM 438 C LYS A 31 -14.649 4.574 -4.571 1.00 0.00 C ATOM 439 O LYS A 31 -15.291 4.475 -5.597 1.00 0.00 O ATOM 440 CB LYS A 31 -16.498 5.031 -2.960 1.00 0.00 C ATOM 441 CG LYS A 31 -17.241 4.487 -1.735 1.00 0.00 C ATOM 442 CD LYS A 31 -18.515 5.309 -1.489 1.00 0.00 C ATOM 443 CE LYS A 31 -19.322 4.682 -0.344 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.390 4.137 0.683 1.00 0.00 N ATOM 0 H LYS A 31 -14.273 5.365 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.521 3.128 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.216 6.071 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.151 5.012 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.498 3.439 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.595 4.530 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.253 6.338 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.118 5.343 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.977 5.429 0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.961 3.887 -0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.914 3.946 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.966 3.254 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.638 4.830 0.873 1.00 0.00 H new ATOM 458 N GLY A 32 -13.424 5.022 -4.581 1.00 0.00 N ATOM 459 CA GLY A 32 -12.783 5.423 -5.868 1.00 0.00 C ATOM 460 C GLY A 32 -11.265 5.298 -5.744 1.00 0.00 C ATOM 461 O GLY A 32 -10.527 5.882 -6.512 1.00 0.00 O ATOM 0 H GLY A 32 -12.837 5.128 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.145 4.791 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.055 6.449 -6.117 1.00 0.00 H new ATOM 465 N GLY A 33 -10.783 4.560 -4.785 1.00 0.00 N ATOM 466 CA GLY A 33 -9.307 4.439 -4.635 1.00 0.00 C ATOM 467 C GLY A 33 -8.764 5.747 -4.061 1.00 0.00 C ATOM 468 O GLY A 33 -7.604 5.840 -3.711 1.00 0.00 O ATOM 0 H GLY A 33 -11.339 4.041 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.061 3.606 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.845 4.229 -5.600 1.00 0.00 H new ATOM 472 N GLN A 34 -9.589 6.770 -4.005 1.00 0.00 N ATOM 473 CA GLN A 34 -9.137 8.111 -3.495 1.00 0.00 C ATOM 474 C GLN A 34 -8.123 7.945 -2.352 1.00 0.00 C ATOM 475 O GLN A 34 -7.288 8.801 -2.134 1.00 0.00 O ATOM 476 CB GLN A 34 -10.367 8.863 -2.951 1.00 0.00 C ATOM 477 CG GLN A 34 -11.195 9.437 -4.108 1.00 0.00 C ATOM 478 CD GLN A 34 -12.436 10.135 -3.549 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.421 11.325 -3.307 1.00 0.00 O ATOM 480 NE2 GLN A 34 -13.518 9.438 -3.332 1.00 0.00 N ATOM 0 H GLN A 34 -10.567 6.733 -4.294 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.665 8.661 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.981 8.187 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.046 9.668 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.596 10.143 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.489 8.639 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.530 8.439 -3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.351 9.893 -2.959 1.00 0.00 H new ATOM 489 N ARG A 35 -8.192 6.875 -1.603 1.00 0.00 N ATOM 490 CA ARG A 35 -7.231 6.712 -0.467 1.00 0.00 C ATOM 491 C ARG A 35 -5.931 6.080 -0.966 1.00 0.00 C ATOM 492 O ARG A 35 -4.858 6.403 -0.495 1.00 0.00 O ATOM 493 CB ARG A 35 -7.849 5.807 0.614 1.00 0.00 C ATOM 494 CG ARG A 35 -7.004 5.869 1.903 1.00 0.00 C ATOM 495 CD ARG A 35 -7.470 7.032 2.790 1.00 0.00 C ATOM 496 NE ARG A 35 -6.537 7.183 3.942 1.00 0.00 N ATOM 497 CZ ARG A 35 -6.558 8.273 4.660 1.00 0.00 C ATOM 498 NH1 ARG A 35 -7.398 9.229 4.370 1.00 0.00 N ATOM 499 NH2 ARG A 35 -5.739 8.407 5.667 1.00 0.00 N ATOM 0 H ARG A 35 -8.862 6.115 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.018 7.694 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.871 6.124 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.901 4.780 0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.091 4.929 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.951 5.995 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.502 7.955 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.482 6.846 3.150 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.882 6.435 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.038 9.124 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.415 10.081 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.082 7.660 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.755 9.259 6.228 1.00 0.00 H new ATOM 513 N ILE A 36 -6.007 5.188 -1.916 1.00 0.00 N ATOM 514 CA ILE A 36 -4.759 4.557 -2.432 1.00 0.00 C ATOM 515 C ILE A 36 -4.011 5.573 -3.315 1.00 0.00 C ATOM 516 O ILE A 36 -2.804 5.524 -3.442 1.00 0.00 O ATOM 517 CB ILE A 36 -5.119 3.261 -3.204 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.057 2.047 -2.250 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.172 3.035 -4.393 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.606 1.569 -2.059 1.00 0.00 C ATOM 0 H ILE A 36 -6.872 4.871 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.098 4.277 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.131 3.372 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.485 2.317 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.662 1.234 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.452 2.118 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.244 3.878 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.148 2.948 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.591 0.714 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.189 1.277 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.010 2.377 -1.635 1.00 0.00 H new ATOM 532 N LYS A 37 -4.716 6.493 -3.918 1.00 0.00 N ATOM 533 CA LYS A 37 -4.037 7.503 -4.778 1.00 0.00 C ATOM 534 C LYS A 37 -3.276 8.493 -3.891 1.00 0.00 C ATOM 535 O LYS A 37 -2.126 8.800 -4.139 1.00 0.00 O ATOM 536 CB LYS A 37 -5.083 8.256 -5.604 1.00 0.00 C ATOM 537 CG LYS A 37 -5.847 7.267 -6.487 1.00 0.00 C ATOM 538 CD LYS A 37 -6.899 8.018 -7.305 1.00 0.00 C ATOM 539 CE LYS A 37 -7.587 7.048 -8.267 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.573 7.791 -9.101 1.00 0.00 N ATOM 0 H LYS A 37 -5.729 6.588 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.339 7.002 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.775 8.780 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.598 9.012 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.156 6.749 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.326 6.507 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.635 8.472 -6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.430 8.829 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.847 6.565 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.089 6.259 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.041 7.132 -9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.286 8.232 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.081 8.528 -9.645 1.00 0.00 H new ATOM 554 N GLN A 38 -3.903 9.005 -2.869 1.00 0.00 N ATOM 555 CA GLN A 38 -3.202 9.981 -1.984 1.00 0.00 C ATOM 556 C GLN A 38 -1.953 9.335 -1.376 1.00 0.00 C ATOM 557 O GLN A 38 -0.889 9.919 -1.357 1.00 0.00 O ATOM 558 CB GLN A 38 -4.144 10.421 -0.862 1.00 0.00 C ATOM 559 CG GLN A 38 -3.491 11.553 -0.065 1.00 0.00 C ATOM 560 CD GLN A 38 -4.487 12.101 0.957 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.684 11.994 0.775 1.00 0.00 O ATOM 562 NE2 GLN A 38 -4.042 12.687 2.035 1.00 0.00 N ATOM 0 H GLN A 38 -4.866 8.792 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.905 10.847 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.093 10.756 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.364 9.579 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.599 11.186 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.171 12.348 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.038 12.777 2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.699 13.055 2.724 1.00 0.00 H new ATOM 571 N ILE A 39 -2.077 8.139 -0.871 1.00 0.00 N ATOM 572 CA ILE A 39 -0.900 7.461 -0.253 1.00 0.00 C ATOM 573 C ILE A 39 0.246 7.367 -1.268 1.00 0.00 C ATOM 574 O ILE A 39 1.406 7.432 -0.913 1.00 0.00 O ATOM 575 CB ILE A 39 -1.304 6.054 0.192 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.343 6.155 1.311 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.075 5.303 0.707 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.970 4.781 1.553 1.00 0.00 C ATOM 0 H ILE A 39 -2.943 7.600 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.565 8.039 0.608 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.728 5.515 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.874 6.518 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.115 6.876 1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.367 4.301 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.667 5.231 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.352 5.841 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.710 4.854 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.454 4.436 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.194 4.073 1.842 1.00 0.00 H new ATOM 590 N ARG A 40 -0.066 7.210 -2.526 1.00 0.00 N ATOM 591 CA ARG A 40 1.014 7.105 -3.552 1.00 0.00 C ATOM 592 C ARG A 40 1.764 8.438 -3.661 1.00 0.00 C ATOM 593 O ARG A 40 2.970 8.468 -3.807 1.00 0.00 O ATOM 594 CB ARG A 40 0.395 6.760 -4.915 1.00 0.00 C ATOM 595 CG ARG A 40 0.061 5.267 -4.969 1.00 0.00 C ATOM 596 CD ARG A 40 -0.581 4.938 -6.318 1.00 0.00 C ATOM 597 NE ARG A 40 0.399 5.199 -7.411 1.00 0.00 N ATOM 598 CZ ARG A 40 0.185 4.719 -8.606 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.885 4.011 -8.843 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.043 4.945 -9.563 1.00 0.00 N ATOM 0 H ARG A 40 -1.018 7.150 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 40 1.712 6.322 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.507 7.350 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.089 7.016 -5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.966 4.675 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.618 5.005 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.896 3.895 -6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.475 5.543 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 40 1.236 5.752 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.555 3.832 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.052 3.636 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.881 5.497 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.876 4.570 -10.497 1.00 0.00 H new ATOM 614 N HIS A 41 1.064 9.537 -3.608 1.00 0.00 N ATOM 615 CA HIS A 41 1.745 10.857 -3.729 1.00 0.00 C ATOM 616 C HIS A 41 2.430 11.223 -2.409 1.00 0.00 C ATOM 617 O HIS A 41 3.431 11.910 -2.389 1.00 0.00 O ATOM 618 CB HIS A 41 0.712 11.930 -4.077 1.00 0.00 C ATOM 619 CG HIS A 41 1.408 13.245 -4.296 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.209 13.827 -3.326 1.00 0.00 N ATOM 621 CD2 HIS A 41 1.433 14.102 -5.368 1.00 0.00 C ATOM 622 CE1 HIS A 41 2.678 14.984 -3.829 1.00 0.00 C ATOM 623 NE2 HIS A 41 2.236 15.199 -5.070 1.00 0.00 N ATOM 0 H HIS A 41 0.052 9.579 -3.486 1.00 0.00 H new ATOM 0 HA HIS A 41 2.498 10.797 -4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.163 11.644 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.017 12.022 -3.272 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.407 13.448 -2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.910 13.948 -6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.332 15.656 -3.294 1.00 0.00 H new ATOM 631 N GLU A 42 1.890 10.782 -1.306 1.00 0.00 N ATOM 632 CA GLU A 42 2.501 11.118 0.013 1.00 0.00 C ATOM 633 C GLU A 42 3.710 10.219 0.284 1.00 0.00 C ATOM 634 O GLU A 42 4.723 10.663 0.787 1.00 0.00 O ATOM 635 CB GLU A 42 1.457 10.930 1.120 1.00 0.00 C ATOM 636 CG GLU A 42 1.898 11.663 2.392 1.00 0.00 C ATOM 637 CD GLU A 42 3.126 10.970 2.988 1.00 0.00 C ATOM 638 OE1 GLU A 42 2.973 9.872 3.497 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.198 11.549 2.924 1.00 0.00 O ATOM 0 H GLU A 42 1.051 10.203 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 42 2.835 12.156 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.491 11.311 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.326 9.868 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.131 12.703 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.085 11.672 3.118 1.00 0.00 H new ATOM 646 N SER A 43 3.610 8.954 -0.024 1.00 0.00 N ATOM 647 CA SER A 43 4.752 8.027 0.243 1.00 0.00 C ATOM 648 C SER A 43 5.734 8.035 -0.931 1.00 0.00 C ATOM 649 O SER A 43 6.892 7.698 -0.781 1.00 0.00 O ATOM 650 CB SER A 43 4.217 6.610 0.450 1.00 0.00 C ATOM 651 OG SER A 43 5.284 5.682 0.311 1.00 0.00 O ATOM 0 H SER A 43 2.789 8.521 -0.448 1.00 0.00 H new ATOM 0 HA SER A 43 5.275 8.361 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.767 6.519 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.435 6.394 -0.277 1.00 0.00 H new ATOM 0 HG SER A 43 5.319 5.103 1.101 1.00 0.00 H new ATOM 657 N GLY A 44 5.283 8.393 -2.102 1.00 0.00 N ATOM 658 CA GLY A 44 6.202 8.389 -3.276 1.00 0.00 C ATOM 659 C GLY A 44 6.371 6.943 -3.738 1.00 0.00 C ATOM 660 O GLY A 44 7.090 6.651 -4.674 1.00 0.00 O ATOM 0 H GLY A 44 4.326 8.686 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.795 9.001 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.167 8.818 -3.006 1.00 0.00 H new ATOM 664 N ALA A 45 5.713 6.037 -3.072 1.00 0.00 N ATOM 665 CA ALA A 45 5.813 4.598 -3.433 1.00 0.00 C ATOM 666 C ALA A 45 4.830 4.270 -4.555 1.00 0.00 C ATOM 667 O ALA A 45 3.857 4.964 -4.775 1.00 0.00 O ATOM 668 CB ALA A 45 5.473 3.749 -2.207 1.00 0.00 C ATOM 0 H ALA A 45 5.101 6.237 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 45 6.827 4.383 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.544 2.692 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.173 3.974 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.458 3.974 -1.878 1.00 0.00 H new ATOM 674 N SER A 46 5.062 3.173 -5.227 1.00 0.00 N ATOM 675 CA SER A 46 4.137 2.717 -6.306 1.00 0.00 C ATOM 676 C SER A 46 3.414 1.485 -5.767 1.00 0.00 C ATOM 677 O SER A 46 4.013 0.670 -5.092 1.00 0.00 O ATOM 678 CB SER A 46 4.940 2.340 -7.552 1.00 0.00 C ATOM 679 OG SER A 46 5.691 3.466 -7.985 1.00 0.00 O ATOM 0 H SER A 46 5.866 2.565 -5.071 1.00 0.00 H new ATOM 0 HA SER A 46 3.432 3.502 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.607 1.507 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.269 2.009 -8.345 1.00 0.00 H new ATOM 0 HG SER A 46 6.208 3.227 -8.782 1.00 0.00 H new ATOM 685 N ILE A 47 2.139 1.334 -6.025 1.00 0.00 N ATOM 686 CA ILE A 47 1.395 0.149 -5.491 1.00 0.00 C ATOM 687 C ILE A 47 0.465 -0.413 -6.566 1.00 0.00 C ATOM 688 O ILE A 47 -0.200 0.320 -7.270 1.00 0.00 O ATOM 689 CB ILE A 47 0.563 0.581 -4.271 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.510 0.981 -3.131 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.331 -0.580 -3.807 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.707 1.565 -1.965 1.00 0.00 C ATOM 0 H ILE A 47 1.580 1.980 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 47 2.109 -0.621 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.066 1.428 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.076 0.112 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.234 1.714 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.916 -0.266 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.003 -0.867 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.292 -1.432 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.386 1.846 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.161 2.446 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.001 0.819 -1.600 1.00 0.00 H new ATOM 704 N LYS A 48 0.414 -1.713 -6.690 1.00 0.00 N ATOM 705 CA LYS A 48 -0.465 -2.368 -7.704 1.00 0.00 C ATOM 706 C LYS A 48 -1.411 -3.314 -6.969 1.00 0.00 C ATOM 707 O LYS A 48 -0.984 -4.121 -6.169 1.00 0.00 O ATOM 708 CB LYS A 48 0.407 -3.177 -8.669 1.00 0.00 C ATOM 709 CG LYS A 48 -0.448 -3.695 -9.831 1.00 0.00 C ATOM 710 CD LYS A 48 0.411 -4.553 -10.779 1.00 0.00 C ATOM 711 CE LYS A 48 0.465 -6.002 -10.279 1.00 0.00 C ATOM 712 NZ LYS A 48 -0.918 -6.551 -10.195 1.00 0.00 N ATOM 0 H LYS A 48 0.956 -2.362 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.031 -1.622 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.217 -2.555 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.868 -4.013 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.279 -4.286 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.879 -2.856 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.005 -4.523 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.419 -4.143 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.068 -6.609 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.944 -6.043 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.886 -7.587 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.341 -6.289 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.494 -6.160 -10.968 1.00 0.00 H new ATOM 726 N ILE A 49 -2.692 -3.228 -7.217 1.00 0.00 N ATOM 727 CA ILE A 49 -3.666 -4.119 -6.521 1.00 0.00 C ATOM 728 C ILE A 49 -4.032 -5.273 -7.459 1.00 0.00 C ATOM 729 O ILE A 49 -4.289 -5.072 -8.629 1.00 0.00 O ATOM 730 CB ILE A 49 -4.910 -3.294 -6.172 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.468 -2.049 -5.394 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.864 -4.125 -5.309 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.680 -1.181 -5.060 1.00 0.00 C ATOM 0 H ILE A 49 -3.108 -2.572 -7.878 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.238 -4.529 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.427 -3.003 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.959 -2.345 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.753 -1.477 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.745 -3.531 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.167 -5.017 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.359 -4.419 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.355 -0.299 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.171 -0.871 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.380 -1.753 -4.451 1.00 0.00 H new ATOM 745 N ASP A 50 -4.059 -6.481 -6.958 1.00 0.00 N ATOM 746 CA ASP A 50 -4.409 -7.651 -7.820 1.00 0.00 C ATOM 747 C ASP A 50 -5.897 -7.953 -7.652 1.00 0.00 C ATOM 748 O ASP A 50 -6.464 -7.728 -6.603 1.00 0.00 O ATOM 749 CB ASP A 50 -3.595 -8.867 -7.371 1.00 0.00 C ATOM 750 CG ASP A 50 -2.106 -8.591 -7.588 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.481 -8.071 -6.679 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.616 -8.905 -8.660 1.00 0.00 O ATOM 0 H ASP A 50 -3.853 -6.709 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.187 -7.428 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.787 -9.079 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.898 -9.749 -7.934 1.00 0.00 H new ATOM 757 N GLU A 51 -6.537 -8.478 -8.661 1.00 0.00 N ATOM 758 CA GLU A 51 -7.981 -8.804 -8.527 1.00 0.00 C ATOM 759 C GLU A 51 -8.135 -9.937 -7.498 1.00 0.00 C ATOM 760 O GLU A 51 -7.244 -10.749 -7.349 1.00 0.00 O ATOM 761 CB GLU A 51 -8.509 -9.276 -9.886 1.00 0.00 C ATOM 762 CG GLU A 51 -8.687 -8.073 -10.813 1.00 0.00 C ATOM 763 CD GLU A 51 -9.120 -8.554 -12.199 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.618 -9.578 -12.633 1.00 0.00 O ATOM 765 OE2 GLU A 51 -9.948 -7.892 -12.803 1.00 0.00 O ATOM 0 H GLU A 51 -6.123 -8.694 -9.568 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.540 -7.928 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.815 -9.990 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.460 -9.793 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.433 -7.393 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.753 -7.515 -10.886 1.00 0.00 H new ATOM 772 N PRO A 52 -9.244 -10.017 -6.794 1.00 0.00 N ATOM 773 CA PRO A 52 -9.428 -11.109 -5.795 1.00 0.00 C ATOM 774 C PRO A 52 -9.405 -12.496 -6.458 1.00 0.00 C ATOM 775 O PRO A 52 -9.912 -12.681 -7.547 1.00 0.00 O ATOM 776 CB PRO A 52 -10.816 -10.787 -5.201 1.00 0.00 C ATOM 777 CG PRO A 52 -11.473 -9.707 -6.081 1.00 0.00 C ATOM 778 CD PRO A 52 -10.373 -9.052 -6.930 1.00 0.00 C ATOM 0 HA PRO A 52 -8.635 -11.149 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.435 -11.684 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.718 -10.434 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.236 -10.150 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.971 -8.961 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.680 -8.930 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.108 -8.062 -6.558 1.00 0.00 H new ATOM 786 N LEU A 53 -8.820 -13.466 -5.809 1.00 0.00 N ATOM 787 CA LEU A 53 -8.766 -14.832 -6.403 1.00 0.00 C ATOM 788 C LEU A 53 -10.107 -15.535 -6.184 1.00 0.00 C ATOM 789 O LEU A 53 -10.693 -15.463 -5.123 1.00 0.00 O ATOM 790 CB LEU A 53 -7.652 -15.643 -5.734 1.00 0.00 C ATOM 791 CG LEU A 53 -6.354 -14.828 -5.716 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.280 -15.603 -4.946 1.00 0.00 C ATOM 793 CD2 LEU A 53 -5.876 -14.579 -7.153 1.00 0.00 C ATOM 0 H LEU A 53 -8.378 -13.372 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.563 -14.753 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.942 -15.905 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.497 -16.578 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.535 -13.870 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.355 -15.026 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.617 -15.774 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.102 -16.561 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.953 -13.999 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.695 -15.534 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.640 -14.027 -7.700 1.00 0.00 H new ATOM 805 N GLU A 54 -10.597 -16.214 -7.184 1.00 0.00 N ATOM 806 CA GLU A 54 -11.895 -16.920 -7.046 1.00 0.00 C ATOM 807 C GLU A 54 -11.746 -18.086 -6.068 1.00 0.00 C ATOM 808 O GLU A 54 -10.803 -18.849 -6.131 1.00 0.00 O ATOM 809 CB GLU A 54 -12.322 -17.453 -8.415 1.00 0.00 C ATOM 810 CG GLU A 54 -13.794 -17.855 -8.368 1.00 0.00 C ATOM 811 CD GLU A 54 -14.247 -18.309 -9.756 1.00 0.00 C ATOM 812 OE1 GLU A 54 -14.386 -17.458 -10.620 1.00 0.00 O ATOM 813 OE2 GLU A 54 -14.446 -19.499 -9.934 1.00 0.00 O ATOM 0 H GLU A 54 -10.149 -16.309 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.648 -16.229 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.166 -16.691 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.708 -18.311 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.939 -18.659 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.401 -17.013 -8.034 1.00 0.00 H new ATOM 820 N GLY A 55 -12.678 -18.231 -5.164 1.00 0.00 N ATOM 821 CA GLY A 55 -12.611 -19.349 -4.172 1.00 0.00 C ATOM 822 C GLY A 55 -12.007 -18.841 -2.862 1.00 0.00 C ATOM 823 O GLY A 55 -11.967 -19.548 -1.874 1.00 0.00 O ATOM 0 H GLY A 55 -13.489 -17.620 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.609 -19.749 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.007 -20.165 -4.570 1.00 0.00 H new ATOM 827 N SER A 56 -11.537 -17.618 -2.845 1.00 0.00 N ATOM 828 CA SER A 56 -10.927 -17.046 -1.602 1.00 0.00 C ATOM 829 C SER A 56 -11.847 -15.964 -1.030 1.00 0.00 C ATOM 830 O SER A 56 -12.973 -15.804 -1.455 1.00 0.00 O ATOM 831 CB SER A 56 -9.574 -16.423 -1.950 1.00 0.00 C ATOM 832 OG SER A 56 -8.983 -15.896 -0.770 1.00 0.00 O ATOM 0 H SER A 56 -11.549 -16.986 -3.645 1.00 0.00 H new ATOM 0 HA SER A 56 -10.794 -17.837 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.919 -17.172 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.704 -15.633 -2.690 1.00 0.00 H new ATOM 0 HG SER A 56 -8.970 -14.917 -0.820 1.00 0.00 H new ATOM 838 N GLU A 57 -11.367 -15.214 -0.073 1.00 0.00 N ATOM 839 CA GLU A 57 -12.197 -14.131 0.532 1.00 0.00 C ATOM 840 C GLU A 57 -11.269 -13.017 1.017 1.00 0.00 C ATOM 841 O GLU A 57 -11.459 -12.440 2.069 1.00 0.00 O ATOM 842 CB GLU A 57 -13.001 -14.683 1.711 1.00 0.00 C ATOM 843 CG GLU A 57 -12.084 -15.468 2.652 1.00 0.00 C ATOM 844 CD GLU A 57 -12.819 -15.746 3.965 1.00 0.00 C ATOM 845 OE1 GLU A 57 -13.959 -16.179 3.903 1.00 0.00 O ATOM 846 OE2 GLU A 57 -12.232 -15.521 5.010 1.00 0.00 O ATOM 0 H GLU A 57 -10.429 -15.306 0.318 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.892 -13.741 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.476 -13.865 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.799 -15.329 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.783 -16.406 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.173 -14.902 2.846 1.00 0.00 H new ATOM 853 N ASP A 58 -10.244 -12.741 0.260 1.00 0.00 N ATOM 854 CA ASP A 58 -9.262 -11.689 0.666 1.00 0.00 C ATOM 855 C ASP A 58 -8.775 -10.898 -0.555 1.00 0.00 C ATOM 856 O ASP A 58 -8.898 -11.326 -1.686 1.00 0.00 O ATOM 857 CB ASP A 58 -8.069 -12.371 1.344 1.00 0.00 C ATOM 858 CG ASP A 58 -8.574 -13.507 2.234 1.00 0.00 C ATOM 859 OD1 ASP A 58 -8.861 -13.245 3.391 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.667 -14.622 1.745 1.00 0.00 O ATOM 0 H ASP A 58 -10.041 -13.200 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.745 -10.993 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.383 -12.761 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.512 -11.647 1.939 1.00 0.00 H new ATOM 865 N ARG A 59 -8.197 -9.746 -0.311 1.00 0.00 N ATOM 866 CA ARG A 59 -7.653 -8.890 -1.408 1.00 0.00 C ATOM 867 C ARG A 59 -6.140 -8.780 -1.205 1.00 0.00 C ATOM 868 O ARG A 59 -5.675 -8.663 -0.090 1.00 0.00 O ATOM 869 CB ARG A 59 -8.282 -7.491 -1.323 1.00 0.00 C ATOM 870 CG ARG A 59 -9.769 -7.533 -1.788 1.00 0.00 C ATOM 871 CD ARG A 59 -10.025 -6.513 -2.906 1.00 0.00 C ATOM 872 NE ARG A 59 -8.981 -6.644 -3.962 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.163 -6.087 -5.129 1.00 0.00 C ATOM 874 NH1 ARG A 59 -10.258 -5.417 -5.368 1.00 0.00 N ATOM 875 NH2 ARG A 59 -8.253 -6.199 -6.055 1.00 0.00 N ATOM 0 H ARG A 59 -8.078 -9.357 0.624 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.880 -9.323 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.225 -7.122 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.720 -6.794 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.015 -8.534 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.424 -7.323 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.013 -6.674 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.016 -5.503 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.126 -7.168 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.970 -5.329 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.401 -4.982 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.397 -6.722 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.396 -5.764 -6.966 1.00 0.00 H new ATOM 889 N ILE A 60 -5.364 -8.852 -2.261 1.00 0.00 N ATOM 890 CA ILE A 60 -3.870 -8.785 -2.109 1.00 0.00 C ATOM 891 C ILE A 60 -3.314 -7.492 -2.718 1.00 0.00 C ATOM 892 O ILE A 60 -3.831 -6.970 -3.685 1.00 0.00 O ATOM 893 CB ILE A 60 -3.262 -10.006 -2.797 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.616 -11.244 -1.970 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.737 -9.862 -2.867 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.266 -12.502 -2.750 1.00 0.00 C ATOM 0 H ILE A 60 -5.697 -8.954 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.610 -8.784 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.654 -10.096 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.074 -11.228 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.679 -11.239 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.311 -10.737 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.482 -8.967 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.333 -9.780 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.520 -13.380 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.828 -12.520 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.198 -12.509 -2.970 1.00 0.00 H new ATOM 908 N ILE A 61 -2.260 -6.977 -2.136 1.00 0.00 N ATOM 909 CA ILE A 61 -1.646 -5.712 -2.651 1.00 0.00 C ATOM 910 C ILE A 61 -0.130 -5.874 -2.779 1.00 0.00 C ATOM 911 O ILE A 61 0.503 -6.517 -1.969 1.00 0.00 O ATOM 912 CB ILE A 61 -1.937 -4.570 -1.673 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.433 -4.251 -1.707 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.145 -3.322 -2.087 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.779 -3.289 -0.567 1.00 0.00 C ATOM 0 H ILE A 61 -1.795 -7.380 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.071 -5.489 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.643 -4.868 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.698 -3.805 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.013 -5.169 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.354 -2.511 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.079 -3.547 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.440 -3.021 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.845 -3.063 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.529 -3.751 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.210 -2.367 -0.684 1.00 0.00 H new ATOM 927 N THR A 62 0.451 -5.287 -3.798 1.00 0.00 N ATOM 928 CA THR A 62 1.933 -5.389 -4.005 1.00 0.00 C ATOM 929 C THR A 62 2.555 -3.994 -3.891 1.00 0.00 C ATOM 930 O THR A 62 2.165 -3.074 -4.583 1.00 0.00 O ATOM 931 CB THR A 62 2.209 -5.962 -5.398 1.00 0.00 C ATOM 932 OG1 THR A 62 1.561 -7.219 -5.528 1.00 0.00 O ATOM 933 CG2 THR A 62 3.715 -6.143 -5.588 1.00 0.00 C ATOM 0 H THR A 62 -0.041 -4.737 -4.502 1.00 0.00 H new ATOM 0 HA THR A 62 2.368 -6.044 -3.250 1.00 0.00 H new ATOM 0 HB THR A 62 1.829 -5.276 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.735 -7.586 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.910 -6.551 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.213 -5.179 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.097 -6.829 -4.832 1.00 0.00 H new ATOM 941 N ILE A 63 3.517 -3.828 -3.017 1.00 0.00 N ATOM 942 CA ILE A 63 4.175 -2.495 -2.837 1.00 0.00 C ATOM 943 C ILE A 63 5.550 -2.509 -3.507 1.00 0.00 C ATOM 944 O ILE A 63 6.318 -3.429 -3.307 1.00 0.00 O ATOM 945 CB ILE A 63 4.369 -2.240 -1.341 1.00 0.00 C ATOM 946 CG1 ILE A 63 3.054 -2.525 -0.606 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.783 -0.779 -1.126 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.173 -2.089 0.856 1.00 0.00 C ATOM 0 H ILE A 63 3.879 -4.567 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 63 3.553 -1.718 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 63 5.148 -2.894 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.234 -1.993 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.819 -3.588 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.922 -0.593 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.717 -0.584 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.005 -0.120 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.236 -2.294 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.981 -2.641 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.387 -1.021 0.901 1.00 0.00 H new ATOM 960 N THR A 64 5.886 -1.502 -4.282 1.00 0.00 N ATOM 961 CA THR A 64 7.242 -1.477 -4.934 1.00 0.00 C ATOM 962 C THR A 64 7.886 -0.111 -4.697 1.00 0.00 C ATOM 963 O THR A 64 7.277 0.917 -4.918 1.00 0.00 O ATOM 964 CB THR A 64 7.100 -1.726 -6.438 1.00 0.00 C ATOM 965 OG1 THR A 64 6.189 -2.795 -6.656 1.00 0.00 O ATOM 966 CG2 THR A 64 8.463 -2.087 -7.029 1.00 0.00 C ATOM 0 H THR A 64 5.288 -0.703 -4.491 1.00 0.00 H new ATOM 0 HA THR A 64 7.868 -2.258 -4.503 1.00 0.00 H new ATOM 0 HB THR A 64 6.725 -0.824 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.096 -2.954 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.360 -2.264 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.161 -1.266 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.841 -2.988 -6.547 1.00 0.00 H new ATOM 974 N GLY A 65 9.109 -0.085 -4.236 1.00 0.00 N ATOM 975 CA GLY A 65 9.795 1.209 -3.968 1.00 0.00 C ATOM 976 C GLY A 65 10.990 0.953 -3.043 1.00 0.00 C ATOM 977 O GLY A 65 11.320 -0.178 -2.746 1.00 0.00 O ATOM 0 H GLY A 65 9.666 -0.915 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.131 1.659 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.104 1.914 -3.505 1.00 0.00 H new ATOM 981 N THR A 66 11.642 1.986 -2.583 1.00 0.00 N ATOM 982 CA THR A 66 12.812 1.783 -1.678 1.00 0.00 C ATOM 983 C THR A 66 12.313 1.315 -0.301 1.00 0.00 C ATOM 984 O THR A 66 11.167 1.493 0.059 1.00 0.00 O ATOM 985 CB THR A 66 13.605 3.108 -1.556 1.00 0.00 C ATOM 986 OG1 THR A 66 12.855 4.153 -2.159 1.00 0.00 O ATOM 987 CG2 THR A 66 14.959 2.989 -2.270 1.00 0.00 C ATOM 0 H THR A 66 11.417 2.959 -2.793 1.00 0.00 H new ATOM 0 HA THR A 66 13.474 1.020 -2.087 1.00 0.00 H new ATOM 0 HB THR A 66 13.777 3.323 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.963 4.976 -1.638 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.504 3.928 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.540 2.185 -1.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.796 2.769 -3.325 1.00 0.00 H new ATOM 995 N GLN A 67 13.185 0.701 0.459 1.00 0.00 N ATOM 996 CA GLN A 67 12.803 0.193 1.811 1.00 0.00 C ATOM 997 C GLN A 67 12.045 1.269 2.590 1.00 0.00 C ATOM 998 O GLN A 67 11.026 1.007 3.196 1.00 0.00 O ATOM 999 CB GLN A 67 14.077 -0.191 2.580 1.00 0.00 C ATOM 1000 CG GLN A 67 13.735 -1.177 3.702 1.00 0.00 C ATOM 1001 CD GLN A 67 12.816 -0.498 4.720 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.587 -0.920 4.854 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 13.220 0.423 5.401 1.00 0.00 N flip ATOM 0 H GLN A 67 14.156 0.529 0.197 1.00 0.00 H new ATOM 0 HA GLN A 67 12.157 -0.677 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.801 -0.639 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.542 0.702 2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.247 -2.059 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.648 -1.518 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.180 0.752 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.600 0.867 6.078 1.00 0.00 H new ATOM 1012 N ASP A 68 12.540 2.474 2.593 1.00 0.00 N ATOM 1013 CA ASP A 68 11.853 3.556 3.350 1.00 0.00 C ATOM 1014 C ASP A 68 10.515 3.884 2.688 1.00 0.00 C ATOM 1015 O ASP A 68 9.503 3.994 3.351 1.00 0.00 O ATOM 1016 CB ASP A 68 12.734 4.806 3.379 1.00 0.00 C ATOM 1017 CG ASP A 68 12.048 5.898 4.201 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.125 6.508 3.687 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.457 6.104 5.332 1.00 0.00 O ATOM 0 H ASP A 68 13.390 2.757 2.105 1.00 0.00 H new ATOM 0 HA ASP A 68 11.674 3.219 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.706 4.568 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.914 5.160 2.364 1.00 0.00 H new ATOM 1024 N GLN A 69 10.489 4.050 1.396 1.00 0.00 N ATOM 1025 CA GLN A 69 9.201 4.379 0.730 1.00 0.00 C ATOM 1026 C GLN A 69 8.182 3.277 1.038 1.00 0.00 C ATOM 1027 O GLN A 69 7.009 3.531 1.224 1.00 0.00 O ATOM 1028 CB GLN A 69 9.414 4.479 -0.785 1.00 0.00 C ATOM 1029 CG GLN A 69 10.081 5.816 -1.127 1.00 0.00 C ATOM 1030 CD GLN A 69 11.347 5.990 -0.285 1.00 0.00 C ATOM 1031 OE1 GLN A 69 12.104 5.057 -0.103 1.00 0.00 O ATOM 1032 NE2 GLN A 69 11.611 7.155 0.241 1.00 0.00 N ATOM 0 H GLN A 69 11.296 3.973 0.778 1.00 0.00 H new ATOM 0 HA GLN A 69 8.830 5.335 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.036 3.653 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.458 4.396 -1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.331 5.848 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.390 6.637 -0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.976 7.939 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.452 7.282 0.804 1.00 0.00 H new ATOM 1041 N ILE A 70 8.634 2.050 1.097 1.00 0.00 N ATOM 1042 CA ILE A 70 7.717 0.914 1.398 1.00 0.00 C ATOM 1043 C ILE A 70 7.257 0.984 2.857 1.00 0.00 C ATOM 1044 O ILE A 70 6.087 0.831 3.148 1.00 0.00 O ATOM 1045 CB ILE A 70 8.459 -0.414 1.161 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.642 -0.633 -0.344 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.652 -1.581 1.750 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.581 -1.820 -0.582 1.00 0.00 C ATOM 0 H ILE A 70 9.608 1.787 0.948 1.00 0.00 H new ATOM 0 HA ILE A 70 6.846 0.974 0.745 1.00 0.00 H new ATOM 0 HB ILE A 70 9.433 -0.370 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.677 -0.820 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.052 0.266 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.185 -2.516 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.523 -1.430 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.675 -1.627 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.709 -1.973 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.550 -1.615 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.153 -2.718 -0.136 1.00 0.00 H new ATOM 1060 N GLN A 71 8.151 1.215 3.782 1.00 0.00 N ATOM 1061 CA GLN A 71 7.751 1.294 5.213 1.00 0.00 C ATOM 1062 C GLN A 71 6.750 2.433 5.402 1.00 0.00 C ATOM 1063 O GLN A 71 5.761 2.295 6.095 1.00 0.00 O ATOM 1064 CB GLN A 71 8.993 1.565 6.066 1.00 0.00 C ATOM 1065 CG GLN A 71 8.612 1.551 7.547 1.00 0.00 C ATOM 1066 CD GLN A 71 9.888 1.641 8.398 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.977 1.710 7.862 1.00 0.00 O ATOM 1068 NE2 GLN A 71 9.813 1.643 9.708 1.00 0.00 N ATOM 0 H GLN A 71 9.146 1.353 3.604 1.00 0.00 H new ATOM 0 HA GLN A 71 7.291 0.354 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.754 0.810 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.425 2.530 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.950 2.387 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.065 0.639 7.785 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.904 1.585 10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.664 1.702 10.267 1.00 0.00 H new ATOM 1077 N ASN A 72 6.994 3.560 4.788 1.00 0.00 N ATOM 1078 CA ASN A 72 6.052 4.702 4.935 1.00 0.00 C ATOM 1079 C ASN A 72 4.694 4.297 4.365 1.00 0.00 C ATOM 1080 O ASN A 72 3.656 4.641 4.892 1.00 0.00 O ATOM 1081 CB ASN A 72 6.593 5.915 4.175 1.00 0.00 C ATOM 1082 CG ASN A 72 7.913 6.366 4.804 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.541 5.619 5.527 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.364 7.565 4.556 1.00 0.00 N ATOM 0 H ASN A 72 7.803 3.737 4.193 1.00 0.00 H new ATOM 0 HA ASN A 72 5.946 4.963 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.746 5.661 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.868 6.728 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.244 7.875 4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.837 8.193 3.949 1.00 0.00 H new ATOM 1091 N ALA A 73 4.698 3.565 3.284 1.00 0.00 N ATOM 1092 CA ALA A 73 3.415 3.132 2.671 1.00 0.00 C ATOM 1093 C ALA A 73 2.766 2.060 3.547 1.00 0.00 C ATOM 1094 O ALA A 73 1.583 2.097 3.819 1.00 0.00 O ATOM 1095 CB ALA A 73 3.689 2.561 1.278 1.00 0.00 C ATOM 0 H ALA A 73 5.538 3.249 2.800 1.00 0.00 H new ATOM 0 HA ALA A 73 2.742 3.985 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.751 2.242 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.151 3.327 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.361 1.707 1.361 1.00 0.00 H new ATOM 1101 N GLN A 74 3.533 1.098 3.987 1.00 0.00 N ATOM 1102 CA GLN A 74 2.969 0.015 4.842 1.00 0.00 C ATOM 1103 C GLN A 74 2.354 0.611 6.109 1.00 0.00 C ATOM 1104 O GLN A 74 1.304 0.191 6.551 1.00 0.00 O ATOM 1105 CB GLN A 74 4.087 -0.957 5.232 1.00 0.00 C ATOM 1106 CG GLN A 74 4.467 -1.811 4.021 1.00 0.00 C ATOM 1107 CD GLN A 74 5.560 -2.805 4.419 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.287 -3.296 3.577 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.708 -3.126 5.675 1.00 0.00 N ATOM 0 H GLN A 74 4.530 1.016 3.790 1.00 0.00 H new ATOM 0 HA GLN A 74 2.196 -0.513 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.956 -0.404 5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.758 -1.596 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.592 -2.345 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.818 -1.174 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.099 -2.714 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.433 -3.788 5.950 1.00 0.00 H new ATOM 1118 N TYR A 75 2.997 1.578 6.707 1.00 0.00 N ATOM 1119 CA TYR A 75 2.436 2.178 7.950 1.00 0.00 C ATOM 1120 C TYR A 75 1.139 2.922 7.626 1.00 0.00 C ATOM 1121 O TYR A 75 0.199 2.902 8.396 1.00 0.00 O ATOM 1122 CB TYR A 75 3.452 3.141 8.567 1.00 0.00 C ATOM 1123 CG TYR A 75 2.966 3.587 9.926 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.244 2.811 11.058 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.239 4.776 10.054 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.794 3.224 12.317 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.789 5.190 11.313 1.00 0.00 C ATOM 1128 CZ TYR A 75 2.067 4.414 12.445 1.00 0.00 C ATOM 1129 OH TYR A 75 1.623 4.822 13.687 1.00 0.00 O ATOM 0 H TYR A 75 3.881 1.976 6.390 1.00 0.00 H new ATOM 0 HA TYR A 75 2.221 1.384 8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.422 2.653 8.659 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.590 4.005 7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.806 1.894 10.959 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.025 5.374 9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.007 2.625 13.190 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.228 6.107 11.411 1.00 0.00 H new ATOM 0 HH TYR A 75 1.136 5.668 13.599 1.00 0.00 H new ATOM 1139 N LEU A 76 1.065 3.574 6.498 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.191 4.300 6.156 1.00 0.00 C ATOM 1141 C LEU A 76 -1.282 3.276 5.836 1.00 0.00 C ATOM 1142 O LEU A 76 -2.455 3.532 6.020 1.00 0.00 O ATOM 1143 CB LEU A 76 0.035 5.225 4.954 1.00 0.00 C ATOM 1144 CG LEU A 76 1.036 6.339 5.318 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.672 6.897 4.042 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.316 7.479 6.051 1.00 0.00 C ATOM 0 H LEU A 76 1.811 3.636 5.805 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.498 4.914 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.413 4.649 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.912 5.665 4.642 1.00 0.00 H new ATOM 0 HG LEU A 76 1.805 5.918 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.379 7.684 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.196 6.098 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.895 7.306 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.033 8.260 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.460 7.893 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.138 7.095 6.965 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.910 2.109 5.386 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.937 1.071 5.093 1.00 0.00 C ATOM 1160 C LEU A 77 -2.492 0.558 6.424 1.00 0.00 C ATOM 1161 O LEU A 77 -3.685 0.418 6.602 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.302 -0.089 4.305 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.219 0.267 2.807 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.175 -0.623 2.125 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.578 0.051 2.117 1.00 0.00 C ATOM 0 H LEU A 77 0.055 1.831 5.209 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.740 1.496 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.305 -0.298 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.893 -0.995 4.439 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.938 1.317 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.117 -0.370 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.798 -0.464 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.462 -1.669 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.495 0.309 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.873 -0.994 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.330 0.685 2.587 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.626 0.287 7.364 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.081 -0.209 8.694 1.00 0.00 C ATOM 1179 C GLN A 78 -2.959 0.857 9.362 1.00 0.00 C ATOM 1180 O GLN A 78 -3.942 0.552 10.007 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.852 -0.481 9.576 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.209 -1.811 9.171 1.00 0.00 C ATOM 1183 CD GLN A 78 1.137 -1.967 9.881 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.321 -1.391 11.038 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 2.030 -2.620 9.378 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.616 0.389 7.266 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.655 -1.127 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.131 0.329 9.471 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.145 -0.513 10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.868 -2.639 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.068 -1.844 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.886 -3.070 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.924 -2.718 9.860 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.602 2.108 9.219 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.415 3.187 9.851 1.00 0.00 C ATOM 1196 C ASN A 79 -4.664 3.450 9.007 1.00 0.00 C ATOM 1197 O ASN A 79 -5.666 3.907 9.515 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.585 4.464 9.994 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.573 4.290 11.127 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -1.326 3.094 11.587 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -1.001 5.253 11.600 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.787 2.426 8.695 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.722 2.867 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.067 4.680 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.237 5.313 10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.194 6.188 11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.328 5.126 12.356 1.00 0.00 H new ATOM 1208 N SER A 80 -4.630 3.177 7.730 1.00 0.00 N ATOM 1209 CA SER A 80 -5.852 3.441 6.922 1.00 0.00 C ATOM 1210 C SER A 80 -6.961 2.547 7.473 1.00 0.00 C ATOM 1211 O SER A 80 -8.116 2.921 7.527 1.00 0.00 O ATOM 1212 CB SER A 80 -5.593 3.121 5.450 1.00 0.00 C ATOM 1213 OG SER A 80 -5.561 1.711 5.274 1.00 0.00 O ATOM 0 H SER A 80 -3.832 2.793 7.224 1.00 0.00 H new ATOM 0 HA SER A 80 -6.137 4.491 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.374 3.559 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.648 3.560 5.131 1.00 0.00 H new ATOM 0 HG SER A 80 -4.673 1.372 5.512 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.599 1.357 7.875 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.590 0.387 8.430 1.00 0.00 C ATOM 1221 C VAL A 81 -8.576 1.118 9.343 1.00 0.00 C ATOM 1222 O VAL A 81 -9.769 0.894 9.285 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.858 -0.690 9.238 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.855 -1.763 9.679 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.773 -1.333 8.374 1.00 0.00 C ATOM 0 H VAL A 81 -5.640 1.010 7.841 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.133 -0.077 7.607 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.400 -0.233 10.115 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.335 -2.529 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.629 -1.308 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.313 -2.217 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.254 -2.098 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.230 -1.789 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.060 -0.571 8.058 1.00 0.00 H new ATOM 1235 N LYS A 82 -8.095 1.982 10.193 1.00 0.00 N ATOM 1236 CA LYS A 82 -9.020 2.706 11.106 1.00 0.00 C ATOM 1237 C LYS A 82 -10.146 3.367 10.295 1.00 0.00 C ATOM 1238 O LYS A 82 -11.205 3.646 10.821 1.00 0.00 O ATOM 1239 CB LYS A 82 -8.236 3.739 11.927 1.00 0.00 C ATOM 1240 CG LYS A 82 -8.032 5.026 11.113 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.909 5.860 11.733 1.00 0.00 C ATOM 1242 CE LYS A 82 -6.659 7.100 10.872 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.484 7.846 11.403 1.00 0.00 N ATOM 0 H LYS A 82 -7.107 2.217 10.294 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.478 2.001 11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.773 3.965 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.269 3.326 12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.786 4.779 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.956 5.603 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.179 6.156 12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.998 5.266 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.480 6.807 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.541 7.741 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.314 8.689 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.672 8.138 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.644 7.233 11.379 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.956 3.593 9.021 1.00 0.00 N ATOM 1258 CA GLN A 83 -11.060 4.199 8.222 1.00 0.00 C ATOM 1259 C GLN A 83 -12.271 3.272 8.328 1.00 0.00 C ATOM 1260 O GLN A 83 -13.372 3.593 7.922 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.631 4.334 6.760 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.669 5.158 5.995 1.00 0.00 C ATOM 1263 CD GLN A 83 -11.150 5.451 4.585 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -9.977 5.292 4.313 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -11.981 5.875 3.673 1.00 0.00 N ATOM 0 H GLN A 83 -9.099 3.388 8.507 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.305 5.192 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.654 4.814 6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.530 3.348 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.612 4.615 5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.868 6.091 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.966 6.008 3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.646 6.073 2.730 1.00 0.00 H new ATOM 1274 N TYR A 84 -12.046 2.123 8.890 1.00 0.00 N ATOM 1275 CA TYR A 84 -13.141 1.129 9.069 1.00 0.00 C ATOM 1276 C TYR A 84 -14.151 1.677 10.080 1.00 0.00 C ATOM 1277 O TYR A 84 -14.563 0.993 10.995 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.564 -0.190 9.586 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.688 -1.178 9.805 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -14.413 -1.661 8.709 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.008 -1.609 11.101 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -15.456 -2.575 8.907 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.051 -2.523 11.296 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.775 -3.005 10.200 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.803 -3.905 10.394 1.00 0.00 O ATOM 0 H TYR A 84 -11.136 1.823 9.240 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.633 0.952 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.847 -0.591 8.870 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.025 -0.023 10.518 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.168 -1.329 7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.451 -1.236 11.948 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.014 -2.948 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.297 -2.856 12.293 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.798 -4.567 9.672 1.00 0.00 H new ATOM 1295 N SER A 85 -14.545 2.912 9.923 1.00 0.00 N ATOM 1296 CA SER A 85 -15.519 3.513 10.875 1.00 0.00 C ATOM 1297 C SER A 85 -14.957 3.429 12.294 1.00 0.00 C ATOM 1298 O SER A 85 -15.621 3.752 13.258 1.00 0.00 O ATOM 1299 CB SER A 85 -16.846 2.755 10.804 1.00 0.00 C ATOM 1300 OG SER A 85 -16.769 1.597 11.625 1.00 0.00 O ATOM 0 H SER A 85 -14.233 3.531 9.175 1.00 0.00 H new ATOM 0 HA SER A 85 -15.688 4.557 10.610 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.663 3.396 11.135 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.061 2.471 9.774 1.00 0.00 H new ATOM 0 HG SER A 85 -16.061 1.007 11.293 1.00 0.00 H new ATOM 1306 N GLY A 86 -13.732 3.000 12.428 1.00 0.00 N ATOM 1307 CA GLY A 86 -13.121 2.899 13.783 1.00 0.00 C ATOM 1308 C GLY A 86 -12.807 4.302 14.300 1.00 0.00 C ATOM 1309 O GLY A 86 -13.458 4.801 15.197 1.00 0.00 O ATOM 0 H GLY A 86 -13.128 2.715 11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.803 2.392 14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.210 2.302 13.740 1.00 0.00 H new ATOM 1313 N LYS A 87 -11.815 4.946 13.735 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.445 6.328 14.177 1.00 0.00 C ATOM 1315 C LYS A 87 -11.878 7.328 13.108 1.00 0.00 C ATOM 1316 O LYS A 87 -11.170 8.262 12.789 1.00 0.00 O ATOM 1317 CB LYS A 87 -9.930 6.410 14.372 1.00 0.00 C ATOM 1318 CG LYS A 87 -9.505 5.434 15.474 1.00 0.00 C ATOM 1319 CD LYS A 87 -7.967 5.357 15.531 1.00 0.00 C ATOM 1320 CE LYS A 87 -7.506 4.563 16.778 1.00 0.00 C ATOM 1321 NZ LYS A 87 -8.637 3.746 17.307 1.00 0.00 N ATOM 0 H LYS A 87 -11.241 4.571 12.980 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.943 6.560 15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.419 6.169 13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.641 7.426 14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.899 5.762 16.436 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.922 4.446 15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.588 4.878 14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.548 6.363 15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.669 3.915 16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.152 5.250 17.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.285 3.103 18.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.360 4.375 17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.055 3.190 16.534 1.00 0.00 H new ATOM 1335 N PHE A 88 -13.040 7.133 12.553 1.00 0.00 N ATOM 1336 CA PHE A 88 -13.538 8.063 11.498 1.00 0.00 C ATOM 1337 C PHE A 88 -14.991 7.721 11.163 1.00 0.00 C ATOM 1338 O PHE A 88 -15.369 7.640 10.011 1.00 0.00 O ATOM 1339 CB PHE A 88 -12.683 7.910 10.241 1.00 0.00 C ATOM 1340 CG PHE A 88 -13.065 8.974 9.238 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -12.661 10.300 9.439 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -13.824 8.637 8.109 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -13.014 11.287 8.510 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -14.176 9.625 7.182 1.00 0.00 C ATOM 1345 CZ PHE A 88 -13.772 10.949 7.382 1.00 0.00 C ATOM 0 H PHE A 88 -13.671 6.366 12.785 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.477 9.089 11.860 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.626 7.997 10.494 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.827 6.920 9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.078 10.561 10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.137 7.615 7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.701 12.309 8.664 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.760 9.365 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 88 -14.045 11.711 6.667 1.00 0.00 H new ATOM 1355 N PHE A 89 -15.804 7.518 12.160 1.00 0.00 N ATOM 1356 CA PHE A 89 -17.231 7.179 11.901 1.00 0.00 C ATOM 1357 C PHE A 89 -17.888 8.308 11.105 1.00 0.00 C ATOM 1358 O PHE A 89 -18.599 8.006 10.160 1.00 0.00 O ATOM 1359 CB PHE A 89 -17.962 7.004 13.234 1.00 0.00 C ATOM 1360 CG PHE A 89 -19.377 6.544 12.975 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -20.394 7.485 12.773 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -19.672 5.176 12.937 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -21.706 7.058 12.533 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -20.984 4.749 12.697 1.00 0.00 C ATOM 1365 CZ PHE A 89 -22.000 5.690 12.495 1.00 0.00 C ATOM 1366 OXT PHE A 89 -17.669 9.457 11.452 1.00 0.00 O ATOM 0 H PHE A 89 -15.542 7.572 13.144 1.00 0.00 H new ATOM 0 HA PHE A 89 -17.286 6.252 11.330 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -17.439 6.276 13.855 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -17.969 7.945 13.784 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -20.167 8.540 12.802 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -18.888 4.450 13.093 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -22.490 7.784 12.377 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -21.212 3.694 12.668 1.00 0.00 H new ATOM 0 HZ PHE A 89 -23.012 5.360 12.310 1.00 0.00 H new TER 1376 PHE A 89